NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8688 | 1mpe | 5654 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 10.565 19.748 -1.151 2 2H MET 1 HT2 MET 1 11.397 20.657 0.044 3 3H MET 1 HT3 MET 1 9.933 21.251 -0.626 4 HA MET 1 HA MET 1 10.102 18.729 0.836 5 1HB MET 1 HB2 MET 1 9.891 21.550 1.785 6 2HB MET 1 HB1 MET 1 8.988 20.309 2.638 7 1HG MET 1 HG2 MET 1 11.776 19.600 2.166 8 2HG MET 1 HG1 MET 1 11.569 21.054 3.141 9 1HE MET 1 HE1 MET 1 9.241 17.273 4.326 10 2HE MET 1 HE2 MET 1 10.197 17.281 2.844 11 3HE MET 1 HE3 MET 1 8.837 18.389 3.022 12 H GLN 2 HN GLN 2 8.248 17.676 0.906 13 HA GLN 2 HA GLN 2 5.992 18.800 -0.554 14 1HB GLN 2 HB2 GLN 2 6.954 16.429 -0.875 15 2HB GLN 2 HB1 GLN 2 6.134 16.039 0.630 16 1HG GLN 2 HG2 GLN 2 4.075 16.125 -0.301 17 2HG GLN 2 HG1 GLN 2 4.531 17.366 -1.468 18 1HE2 GLN 2 HE21 GLN 2 5.935 14.194 -0.781 19 2HE2 GLN 2 HE22 GLN 2 5.729 13.560 -2.375 20 H TYR 3 HN TYR 3 4.309 19.693 0.458 21 HA TYR 3 HA TYR 3 3.976 19.116 3.317 22 1HB TYR 3 HB2 TYR 3 3.459 21.580 1.697 23 2HB TYR 3 HB1 TYR 3 2.563 21.312 3.190 24 HD1 TYR 3 HD1 TYR 3 5.728 22.300 1.742 25 HD2 TYR 3 HD2 TYR 3 3.811 21.085 5.340 26 HE1 TYR 3 HE1 TYR 3 7.620 23.184 3.043 27 HE2 TYR 3 HE2 TYR 3 5.694 21.965 6.650 28 HH TYR 3 HH TYR 3 7.981 22.560 6.422 29 H LYS 4 HN LYS 4 2.238 18.236 4.056 30 HA LYS 4 HA LYS 4 0.038 17.642 2.191 31 1HB LYS 4 HB2 LYS 4 1.291 16.179 4.447 32 2HB LYS 4 HB1 LYS 4 -0.451 16.005 4.285 33 1HG LYS 4 HG2 LYS 4 0.080 15.453 1.812 34 2HG LYS 4 HG1 LYS 4 1.714 15.159 2.410 35 1HD LYS 4 HD2 LYS 4 0.942 13.464 3.904 36 2HD LYS 4 HD1 LYS 4 -0.744 13.876 3.593 37 1HE LYS 4 HE2 LYS 4 -0.670 12.978 1.420 38 2HE LYS 4 HE1 LYS 4 1.093 12.928 1.413 39 1HZ LYS 4 HZ1 LYS 4 0.160 10.728 1.731 40 2HZ LYS 4 HZ2 LYS 4 -0.683 11.249 3.102 41 3HZ LYS 4 HZ3 LYS 4 1.008 11.208 3.115 42 H VAL 5 HN VAL 5 -1.875 18.604 2.475 43 HA VAL 5 HA VAL 5 -2.681 19.424 5.159 44 HB VAL 5 HB VAL 5 -2.907 21.329 2.832 45 1HG1 VAL 5 HG11 VAL 5 -4.523 21.388 4.817 46 2HG1 VAL 5 HG12 VAL 5 -3.711 22.891 4.378 47 3HG1 VAL 5 HG13 VAL 5 -3.142 21.951 5.758 48 1HG2 VAL 5 HG21 VAL 5 -0.811 21.128 4.977 49 2HG2 VAL 5 HG22 VAL 5 -1.151 22.638 4.132 50 3HG2 VAL 5 HG23 VAL 5 -0.589 21.230 3.230 51 H ILE 6 HN ILE 6 -4.675 18.788 5.542 52 HA ILE 6 HA ILE 6 -6.391 17.959 3.322 53 HB ILE 6 HB ILE 6 -6.976 17.670 6.265 54 1HG1 ILE 6 HG12 ILE 6 -5.597 15.623 4.519 55 2HG1 ILE 6 HG11 ILE 6 -4.738 16.687 5.628 56 1HG2 ILE 6 HG21 ILE 6 -8.422 15.878 5.553 57 2HG2 ILE 6 HG22 ILE 6 -7.888 16.067 3.883 58 3HG2 ILE 6 HG23 ILE 6 -8.821 17.346 4.661 59 1HD1 ILE 6 HD11 ILE 6 -5.591 14.213 6.252 60 2HD1 ILE 6 HD12 ILE 6 -6.959 15.175 6.811 61 3HD1 ILE 6 HD13 ILE 6 -5.341 15.500 7.431 62 H LEU 7 HN LEU 7 -7.805 19.349 2.531 63 HA LEU 7 HA LEU 7 -9.059 21.302 4.339 64 1HB LEU 7 HB2 LEU 7 -7.708 21.674 1.749 65 2HB LEU 7 HB1 LEU 7 -9.286 22.431 1.849 66 HG LEU 7 HG LEU 7 -8.251 23.308 4.165 67 1HD1 LEU 7 HD11 LEU 7 -6.003 23.487 4.252 68 2HD1 LEU 7 HD12 LEU 7 -5.835 23.630 2.502 69 3HD1 LEU 7 HD13 LEU 7 -6.074 22.045 3.239 70 1HD2 LEU 7 HD21 LEU 7 -8.971 24.399 1.756 71 2HD2 LEU 7 HD22 LEU 7 -7.296 24.920 1.929 72 3HD2 LEU 7 HD23 LEU 7 -8.472 25.305 3.184 73 H ASN 8 HN ASN 8 -11.116 20.688 4.630 74 HA ASN 8 HA ASN 8 -12.811 20.146 2.375 75 1HB ASN 8 HB2 ASN 8 -11.563 17.957 3.140 76 2HB ASN 8 HB1 ASN 8 -12.736 17.981 4.446 77 1HD2 ASN 8 HD21 ASN 8 -13.727 16.115 3.772 78 2HD2 ASN 8 HD22 ASN 8 -14.716 16.040 2.357 79 H GLY 9 HN GLY 9 -14.094 21.853 3.111 80 1HA GLY 9 HA2 GLY 9 -14.830 22.261 5.799 81 2HA GLY 9 HA1 GLY 9 -15.667 22.921 4.404 82 H LYS 10 HN LYS 10 -15.268 19.792 6.084 83 HA LYS 10 HA LYS 10 -17.823 18.846 5.205 84 1HB LYS 10 HB2 LYS 10 -15.637 17.542 5.980 85 2HB LYS 10 HB1 LYS 10 -16.441 17.612 7.542 86 1HG LYS 10 HG2 LYS 10 -18.466 16.618 6.395 87 2HG LYS 10 HG1 LYS 10 -17.409 16.307 5.017 88 1HD LYS 10 HD2 LYS 10 -16.141 14.751 6.177 89 2HD LYS 10 HD1 LYS 10 -16.612 15.393 7.752 90 1HE LYS 10 HE2 LYS 10 -19.013 14.625 6.907 91 2HE LYS 10 HE1 LYS 10 -18.038 13.506 5.956 92 1HZ LYS 10 HZ1 LYS 10 -16.912 13.218 8.342 93 2HZ LYS 10 HZ2 LYS 10 -18.210 12.271 7.814 94 3HZ LYS 10 HZ3 LYS 10 -18.490 13.597 8.825 95 H THR 11 HN THR 11 -19.612 18.323 6.568 96 HA THR 11 HA THR 11 -19.747 19.726 9.130 97 HB THR 11 HB THR 11 -20.663 21.386 7.721 98 HG1 THR 11 HG1 THR 11 -22.769 21.467 8.409 99 1HG2 THR 11 HG21 THR 11 -22.262 19.229 6.368 100 2HG2 THR 11 HG22 THR 11 -20.942 20.166 5.668 101 3HG2 THR 11 HG23 THR 11 -22.456 20.961 6.098 102 H LEU 12 HN LEU 12 -21.001 18.716 10.635 103 HA LEU 12 HA LEU 12 -22.827 16.608 9.798 104 1HB LEU 12 HB2 LEU 12 -21.734 15.152 11.665 105 2HB LEU 12 HB1 LEU 12 -21.053 15.174 10.050 106 HG LEU 12 HG LEU 12 -19.315 16.723 10.768 107 1HD1 LEU 12 HD11 LEU 12 -20.576 16.518 13.499 108 2HD1 LEU 12 HD12 LEU 12 -20.602 17.939 12.454 109 3HD1 LEU 12 HD13 LEU 12 -19.072 17.351 13.106 110 1HD2 LEU 12 HD21 LEU 12 -18.037 15.215 12.092 111 2HD2 LEU 12 HD22 LEU 12 -19.059 14.242 11.033 112 3HD2 LEU 12 HD23 LEU 12 -19.491 14.447 12.731 113 H LYS 13 HN LYS 13 -23.909 18.732 10.678 114 HA LYS 13 HA LYS 13 -24.911 18.079 13.283 115 1HB LYS 13 HB2 LYS 13 -23.131 20.359 12.840 116 2HB LYS 13 HB1 LYS 13 -24.594 20.710 13.751 117 1HG LYS 13 HG2 LYS 13 -22.709 18.481 14.468 118 2HG LYS 13 HG1 LYS 13 -22.570 20.116 15.115 119 1HD LYS 13 HD2 LYS 13 -23.888 19.297 16.753 120 2HD LYS 13 HD1 LYS 13 -25.181 19.621 15.597 121 1HE LYS 13 HE2 LYS 13 -25.470 17.412 15.092 122 2HE LYS 13 HE1 LYS 13 -23.787 17.006 15.423 123 1HZ LYS 13 HZ1 LYS 13 -25.784 17.669 17.517 124 2HZ LYS 13 HZ2 LYS 13 -24.208 17.105 17.760 125 3HZ LYS 13 HZ3 LYS 13 -25.369 16.093 17.062 126 H GLY 14 HN GLY 14 -24.937 21.016 11.581 127 1HA GLY 14 HA2 GLY 14 -27.219 20.832 10.062 128 2HA GLY 14 HA1 GLY 14 -27.784 21.261 11.668 129 H GLU 15 HN GLU 15 -25.735 22.979 12.465 130 HA GLU 15 HA GLU 15 -26.360 25.284 10.784 131 1HB GLU 15 HB2 GLU 15 -25.269 25.018 13.582 132 2HB GLU 15 HB1 GLU 15 -25.341 26.559 12.738 133 1HG GLU 15 HG2 GLU 15 -27.868 25.800 12.403 134 2HG GLU 15 HG1 GLU 15 -27.514 24.918 13.888 135 H THR 16 HN THR 16 -24.940 24.974 9.061 136 HA THR 16 HA THR 16 -22.137 24.565 9.443 137 HB THR 16 HB THR 16 -23.288 23.837 7.397 138 HG1 THR 16 HG1 THR 16 -21.498 24.140 6.366 139 1HG2 THR 16 HG21 THR 16 -24.754 25.968 7.324 140 2HG2 THR 16 HG22 THR 16 -24.226 25.219 5.817 141 3HG2 THR 16 HG23 THR 16 -23.399 26.653 6.426 142 H THR 17 HN THR 17 -24.161 27.358 8.630 143 HA THR 17 HA THR 17 -23.828 29.595 8.873 144 HB THR 17 HB THR 17 -21.214 29.353 10.239 145 HG1 THR 17 HG1 THR 17 -21.842 27.907 11.596 146 1HG2 THR 17 HG21 THR 17 -21.844 31.241 11.197 147 2HG2 THR 17 HG22 THR 17 -23.353 30.523 11.761 148 3HG2 THR 17 HG23 THR 17 -23.261 31.230 10.148 149 H THR 18 HN THR 18 -20.488 28.363 8.672 150 HA THR 18 HA THR 18 -20.199 29.324 5.967 151 HB THR 18 HB THR 18 -18.407 30.900 6.428 152 HG1 THR 18 HG1 THR 18 -17.412 30.726 8.248 153 1HG2 THR 18 HG21 THR 18 -19.581 32.709 7.411 154 2HG2 THR 18 HG22 THR 18 -20.682 31.617 8.253 155 3HG2 THR 18 HG23 THR 18 -20.748 31.755 6.496 156 H GLU 19 HN GLU 19 -17.595 29.297 5.565 157 HA GLU 19 HA GLU 19 -16.522 26.862 6.793 158 1HB GLU 19 HB2 GLU 19 -16.376 27.373 3.823 159 2HB GLU 19 HB1 GLU 19 -15.918 25.912 4.687 160 1HG GLU 19 HG2 GLU 19 -18.222 25.450 5.217 161 2HG GLU 19 HG1 GLU 19 -18.726 26.970 4.479 162 H ALA 20 HN ALA 20 -14.207 26.641 5.387 163 HA ALA 20 HA ALA 20 -12.821 29.115 5.088 164 1HB ALA 20 HB1 ALA 20 -12.641 27.645 7.672 165 2HB ALA 20 HB2 ALA 20 -12.613 29.380 7.357 166 3HB ALA 20 HB3 ALA 20 -11.184 28.401 7.027 167 H VAL 21 HN VAL 21 -12.326 25.752 6.043 168 HA VAL 21 HA VAL 21 -9.993 25.453 4.368 169 HB VAL 21 HB VAL 21 -10.137 23.046 5.126 170 1HG1 VAL 21 HG11 VAL 21 -8.672 24.520 6.295 171 2HG1 VAL 21 HG12 VAL 21 -9.545 23.579 7.500 172 3HG1 VAL 21 HG13 VAL 21 -10.012 25.249 7.178 173 1HG2 VAL 21 HG21 VAL 21 -11.773 22.292 6.533 174 2HG2 VAL 21 HG22 VAL 21 -12.704 23.467 5.604 175 3HG2 VAL 21 HG23 VAL 21 -12.089 23.893 7.201 176 H ASP 22 HN ASP 22 -11.610 26.174 2.540 177 HA ASP 22 HA ASP 22 -13.029 23.859 1.423 178 1HB ASP 22 HB2 ASP 22 -13.935 26.344 1.604 179 2HB ASP 22 HB1 ASP 22 -13.046 26.533 0.096 180 H ALA 23 HN ALA 23 -12.625 23.035 -0.559 181 HA ALA 23 HA ALA 23 -10.010 22.765 -1.393 182 1HB ALA 23 HB1 ALA 23 -12.676 22.184 -2.506 183 2HB ALA 23 HB2 ALA 23 -11.295 21.117 -2.251 184 3HB ALA 23 HB3 ALA 23 -11.333 22.189 -3.653 185 H ALA 24 HN ALA 24 -12.530 24.915 -2.674 186 HA ALA 24 HA ALA 24 -10.940 26.091 -4.696 187 1HB ALA 24 HB1 ALA 24 -13.193 26.402 -5.067 188 2HB ALA 24 HB2 ALA 24 -12.733 27.974 -4.416 189 3HB ALA 24 HB3 ALA 24 -13.527 26.789 -3.379 190 H THR 25 HN THR 25 -11.422 26.764 -1.303 191 HA THR 25 HA THR 25 -10.329 29.361 -1.216 192 HB THR 25 HB THR 25 -10.426 27.210 0.910 193 HG1 THR 25 HG1 THR 25 -12.156 29.359 0.278 194 1HG2 THR 25 HG21 THR 25 -9.066 28.574 2.044 195 2HG2 THR 25 HG22 THR 25 -10.544 29.514 2.287 196 3HG2 THR 25 HG23 THR 25 -9.417 29.961 1.005 197 H PHE 26 HN PHE 26 -8.892 26.163 -0.916 198 HA PHE 26 HA PHE 26 -6.301 27.053 -0.199 199 1HB PHE 26 HB2 PHE 26 -7.286 24.671 -0.023 200 2HB PHE 26 HB1 PHE 26 -6.794 24.498 -1.706 201 HD1 PHE 26 HD1 PHE 26 -5.308 25.861 1.433 202 HD2 PHE 26 HD2 PHE 26 -4.793 23.410 -2.008 203 HE1 PHE 26 HE1 PHE 26 -3.026 25.314 2.171 204 HE2 PHE 26 HE2 PHE 26 -2.509 22.857 -1.275 205 HZ PHE 26 HZ PHE 26 -1.623 23.811 0.816 206 H GLU 27 HN GLU 27 -7.665 26.044 -3.331 207 HA GLU 27 HA GLU 27 -5.408 26.450 -4.897 208 1HB GLU 27 HB2 GLU 27 -8.304 26.883 -5.650 209 2HB GLU 27 HB1 GLU 27 -6.975 26.731 -6.791 210 1HG GLU 27 HG2 GLU 27 -6.561 24.459 -6.040 211 2HG GLU 27 HG1 GLU 27 -7.852 24.606 -4.848 212 H LYS 28 HN LYS 28 -8.016 28.760 -4.161 213 HA LYS 28 HA LYS 28 -6.913 30.901 -5.605 214 1HB LYS 28 HB2 LYS 28 -9.280 30.744 -4.907 215 2HB LYS 28 HB1 LYS 28 -8.789 31.012 -3.240 216 1HG LYS 28 HG2 LYS 28 -7.837 33.207 -3.960 217 2HG LYS 28 HG1 LYS 28 -8.570 32.934 -5.542 218 1HD LYS 28 HD2 LYS 28 -10.189 32.821 -3.015 219 2HD LYS 28 HD1 LYS 28 -9.874 34.347 -3.843 220 1HE LYS 28 HE2 LYS 28 -10.703 32.840 -5.917 221 2HE LYS 28 HE1 LYS 28 -11.615 32.090 -4.608 222 1HZ LYS 28 HZ1 LYS 28 -11.607 35.020 -4.873 223 2HZ LYS 28 HZ2 LYS 28 -12.787 34.008 -4.207 224 3HZ LYS 28 HZ3 LYS 28 -12.601 34.098 -5.886 225 H VAL 29 HN VAL 29 -6.847 30.296 -2.051 226 HA VAL 29 HA VAL 29 -5.263 32.551 -1.454 227 HB VAL 29 HB VAL 29 -5.470 29.969 0.100 228 1HG1 VAL 29 HG11 VAL 29 -4.366 30.948 1.843 229 2HG1 VAL 29 HG12 VAL 29 -4.873 32.576 1.398 230 3HG1 VAL 29 HG13 VAL 29 -3.565 31.785 0.512 231 1HG2 VAL 29 HG21 VAL 29 -7.418 30.656 0.977 232 2HG2 VAL 29 HG22 VAL 29 -7.517 31.663 -0.467 233 3HG2 VAL 29 HG23 VAL 29 -6.911 32.344 1.043 234 H VAL 30 HN VAL 30 -4.405 29.173 -2.021 235 HA VAL 30 HA VAL 30 -1.649 29.548 -1.471 236 HB VAL 30 HB VAL 30 -2.917 27.352 -3.120 237 1HG1 VAL 30 HG11 VAL 30 -0.877 26.094 -2.174 238 2HG1 VAL 30 HG12 VAL 30 -0.210 27.700 -1.886 239 3HG1 VAL 30 HG13 VAL 30 -0.633 27.201 -3.524 240 1HG2 VAL 30 HG21 VAL 30 -2.167 27.041 -0.247 241 2HG2 VAL 30 HG22 VAL 30 -3.354 26.153 -1.204 242 3HG2 VAL 30 HG23 VAL 30 -3.705 27.796 -0.667 243 H LYS 31 HN LYS 31 -3.534 29.571 -4.483 244 HA LYS 31 HA LYS 31 -1.244 29.845 -6.135 245 1HB LYS 31 HB2 LYS 31 -3.358 28.983 -6.999 246 2HB LYS 31 HB1 LYS 31 -4.148 30.513 -6.648 247 1HG LYS 31 HG2 LYS 31 -2.471 31.566 -8.241 248 2HG LYS 31 HG1 LYS 31 -2.084 29.917 -8.740 249 1HD LYS 31 HD2 LYS 31 -4.486 29.567 -9.260 250 2HD LYS 31 HD1 LYS 31 -4.780 31.265 -8.880 251 1HE LYS 31 HE2 LYS 31 -3.146 31.883 -10.645 252 2HE LYS 31 HE1 LYS 31 -3.015 30.177 -11.069 253 1HZ LYS 31 HZ1 LYS 31 -5.033 30.171 -12.050 254 2HZ LYS 31 HZ2 LYS 31 -4.709 31.819 -12.250 255 3HZ LYS 31 HZ3 LYS 31 -5.700 31.301 -10.981 256 H GLN 32 HN GLN 32 -3.611 32.151 -4.811 257 HA GLN 32 HA GLN 32 -2.506 34.455 -6.012 258 1HB GLN 32 HB2 GLN 32 -4.784 34.359 -5.032 259 2HB GLN 32 HB1 GLN 32 -4.067 34.284 -3.427 260 1HG GLN 32 HG2 GLN 32 -4.376 36.504 -3.475 261 2HG GLN 32 HG1 GLN 32 -2.860 36.489 -4.374 262 1HE2 GLN 32 HE21 GLN 32 -3.581 38.502 -5.272 263 2HE2 GLN 32 HE22 GLN 32 -4.684 38.508 -6.602 264 H PHE 33 HN PHE 33 -1.926 32.892 -2.870 265 HA PHE 33 HA PHE 33 -0.218 34.869 -1.831 266 1HB PHE 33 HB2 PHE 33 -1.061 33.437 -0.237 267 2HB PHE 33 HB1 PHE 33 -0.828 32.015 -1.240 268 HD1 PHE 33 HD1 PHE 33 1.398 34.642 0.247 269 HD2 PHE 33 HD2 PHE 33 0.596 30.518 -0.401 270 HE1 PHE 33 HE1 PHE 33 3.451 34.053 1.482 271 HE2 PHE 33 HE2 PHE 33 2.644 29.922 0.829 272 HZ PHE 33 HZ PHE 33 4.075 31.687 1.767 273 H PHE 34 HN PHE 34 0.464 31.877 -3.583 274 HA PHE 34 HA PHE 34 3.290 32.338 -3.460 275 1HB PHE 34 HB2 PHE 34 1.581 30.209 -4.670 276 2HB PHE 34 HB1 PHE 34 3.289 30.328 -5.097 277 HD1 PHE 34 HD1 PHE 34 1.031 28.866 -2.858 278 HD2 PHE 34 HD2 PHE 34 4.901 30.630 -2.988 279 HE1 PHE 34 HE1 PHE 34 1.636 27.712 -0.768 280 HE2 PHE 34 HE2 PHE 34 5.507 29.476 -0.913 281 HZ PHE 34 HZ PHE 34 3.872 28.027 0.208 282 H ASN 35 HN ASN 35 0.794 33.027 -5.836 283 HA ASN 35 HA ASN 35 2.363 33.323 -8.120 284 1HB ASN 35 HB2 ASN 35 -0.147 34.656 -7.164 285 2HB ASN 35 HB1 ASN 35 0.624 35.197 -8.650 286 1HD2 ASN 35 HD21 ASN 35 0.937 31.854 -7.833 287 2HD2 ASN 35 HD22 ASN 35 -0.205 31.254 -8.978 288 H ASP 36 HN ASP 36 2.013 35.337 -5.337 289 HA ASP 36 HA ASP 36 3.063 37.755 -6.249 290 1HB ASP 36 HB2 ASP 36 3.093 36.481 -3.508 291 2HB ASP 36 HB1 ASP 36 3.593 38.141 -3.814 292 H ASN 37 HN ASN 37 4.630 34.774 -5.769 293 HA ASN 37 HA ASN 37 7.257 36.110 -5.705 294 1HB ASN 37 HB2 ASN 37 8.221 34.172 -4.698 295 2HB ASN 37 HB1 ASN 37 6.778 34.600 -3.786 296 1HD2 ASN 37 HD21 ASN 37 5.273 33.107 -3.483 297 2HD2 ASN 37 HD22 ASN 37 5.230 31.564 -4.255 298 H GLY 38 HN GLY 38 5.238 34.644 -7.881 299 1HA GLY 38 HA2 GLY 38 5.919 34.437 -10.159 300 2HA GLY 38 HA1 GLY 38 7.538 34.047 -9.609 301 H VAL 39 HN VAL 39 4.321 32.695 -8.911 302 HA VAL 39 HA VAL 39 5.285 30.108 -9.927 303 HB VAL 39 HB VAL 39 3.472 30.465 -7.526 304 1HG1 VAL 39 HG11 VAL 39 2.792 28.442 -8.335 305 2HG1 VAL 39 HG12 VAL 39 4.186 27.909 -7.397 306 3HG1 VAL 39 HG13 VAL 39 4.327 28.123 -9.142 307 1HG2 VAL 39 HG21 VAL 39 6.370 30.326 -7.769 308 2HG2 VAL 39 HG22 VAL 39 5.710 29.090 -6.697 309 3HG2 VAL 39 HG23 VAL 39 5.369 30.793 -6.394 310 H ASP 40 HN ASP 40 3.791 29.005 -11.240 311 HA ASP 40 HA ASP 40 1.069 29.993 -11.361 312 1HB ASP 40 HB2 ASP 40 2.917 30.123 -13.755 313 2HB ASP 40 HB1 ASP 40 1.181 30.414 -13.796 314 H GLY 41 HN GLY 41 0.119 28.863 -13.505 315 1HA GLY 41 HA2 GLY 41 0.257 26.725 -14.771 316 2HA GLY 41 HA1 GLY 41 0.813 25.992 -13.274 317 H GLU 42 HN GLU 42 -0.828 24.473 -13.115 318 HA GLU 42 HA GLU 42 -3.384 25.546 -12.219 319 1HB GLU 42 HB2 GLU 42 -3.121 23.600 -14.514 320 2HB GLU 42 HB1 GLU 42 -4.631 23.941 -13.681 321 1HG GLU 42 HG2 GLU 42 -4.212 26.383 -14.310 322 2HG GLU 42 HG1 GLU 42 -3.006 25.750 -15.430 323 H TRP 43 HN TRP 43 -4.673 24.028 -11.063 324 HA TRP 43 HA TRP 43 -3.116 22.195 -9.513 325 1HB TRP 43 HB2 TRP 43 -6.056 22.874 -9.545 326 2HB TRP 43 HB1 TRP 43 -5.362 21.684 -8.449 327 HD1 TRP 43 HD1 TRP 43 -5.623 25.431 -9.025 328 HE1 TRP 43 HE1 TRP 43 -4.692 26.663 -6.967 329 HE3 TRP 43 HE3 TRP 43 -3.617 21.445 -6.529 330 HZ2 TRP 43 HZ2 TRP 43 -3.294 26.031 -4.599 331 HZ3 TRP 43 HZ3 TRP 43 -2.500 21.845 -4.373 332 HH2 TRP 43 HH2 TRP 43 -2.342 24.092 -3.430 333 H THR 44 HN THR 44 -2.559 20.264 -10.177 334 HA THR 44 HA THR 44 -4.378 18.817 -11.972 335 HB THR 44 HB THR 44 -2.440 17.489 -12.643 336 HG1 THR 44 HG1 THR 44 -0.891 17.385 -11.248 337 1HG2 THR 44 HG21 THR 44 -2.893 19.971 -13.487 338 2HG2 THR 44 HG22 THR 44 -1.550 18.988 -14.068 339 3HG2 THR 44 HG23 THR 44 -1.281 20.195 -12.810 340 H TYR 45 HN TYR 45 -5.007 16.771 -11.532 341 HA TYR 45 HA TYR 45 -5.155 16.029 -8.781 342 1HB TYR 45 HB2 TYR 45 -6.112 14.778 -11.339 343 2HB TYR 45 HB1 TYR 45 -6.180 13.875 -9.828 344 HD1 TYR 45 HD1 TYR 45 -7.697 16.473 -11.823 345 HD2 TYR 45 HD2 TYR 45 -7.540 14.776 -7.924 346 HE1 TYR 45 HE1 TYR 45 -9.810 17.596 -11.255 347 HE2 TYR 45 HE2 TYR 45 -9.654 15.893 -7.347 348 HH TYR 45 HH TYR 45 -11.640 16.808 -8.540 349 H ASP 46 HN ASP 46 -4.119 14.420 -7.674 350 HA ASP 46 HA ASP 46 -1.527 13.693 -8.594 351 1HB ASP 46 HB2 ASP 46 -3.096 12.649 -6.220 352 2HB ASP 46 HB1 ASP 46 -1.371 12.418 -6.491 353 H ASP 47 HN ASP 47 -0.744 11.430 -8.727 354 HA ASP 47 HA ASP 47 -2.283 9.907 -10.543 355 1HB ASP 47 HB2 ASP 47 0.284 9.440 -9.066 356 2HB ASP 47 HB1 ASP 47 -0.463 8.122 -9.964 357 H ALA 48 HN ALA 48 -3.697 8.282 -10.265 358 HA ALA 48 HA ALA 48 -4.942 7.771 -7.850 359 1HB ALA 48 HB1 ALA 48 -5.460 7.125 -10.411 360 2HB ALA 48 HB2 ALA 48 -6.300 6.414 -9.034 361 3HB ALA 48 HB3 ALA 48 -4.960 5.552 -9.789 362 H THR 49 HN THR 49 -4.756 6.266 -6.263 363 HA THR 49 HA THR 49 -2.602 4.283 -6.450 364 HB THR 49 HB THR 49 -3.032 5.933 -3.964 365 HG1 THR 49 HG1 THR 49 -1.952 7.479 -4.839 366 1HG2 THR 49 HG21 THR 49 -0.371 4.916 -4.550 367 2HG2 THR 49 HG22 THR 49 -1.576 3.649 -4.318 368 3HG2 THR 49 HG23 THR 49 -1.311 4.856 -3.060 369 H LYS 50 HN LYS 50 -2.886 2.437 -5.136 370 HA LYS 50 HA LYS 50 -5.598 2.160 -4.016 371 1HB LYS 50 HB2 LYS 50 -3.990 0.367 -5.756 372 2HB LYS 50 HB1 LYS 50 -4.968 -0.396 -4.510 373 1HG LYS 50 HG2 LYS 50 -6.967 0.620 -5.392 374 2HG LYS 50 HG1 LYS 50 -6.021 1.528 -6.572 375 1HD LYS 50 HD2 LYS 50 -5.643 -1.399 -6.585 376 2HD LYS 50 HD1 LYS 50 -7.226 -0.820 -7.109 377 1HE LYS 50 HE2 LYS 50 -5.847 0.831 -8.565 378 2HE LYS 50 HE1 LYS 50 -4.530 -0.311 -8.303 379 1HZ LYS 50 HZ1 LYS 50 -5.371 -1.379 -10.051 380 2HZ LYS 50 HZ2 LYS 50 -6.837 -0.539 -9.995 381 3HZ LYS 50 HZ3 LYS 50 -6.607 -1.902 -9.020 382 H THR 51 HN THR 51 -5.823 1.323 -2.017 383 HA THR 51 HA THR 51 -3.383 0.463 -0.614 384 HB THR 51 HB THR 51 -5.556 2.360 0.314 385 HG1 THR 51 HG1 THR 51 -3.900 3.769 0.478 386 1HG2 THR 51 HG21 THR 51 -4.385 2.455 2.478 387 2HG2 THR 51 HG22 THR 51 -3.405 1.072 1.990 388 3HG2 THR 51 HG23 THR 51 -5.148 0.891 2.190 389 H PHE 52 HN PHE 52 -3.549 -1.396 0.569 390 HA PHE 52 HA PHE 52 -5.981 -2.925 0.309 391 1HB PHE 52 HB2 PHE 52 -3.656 -3.904 0.093 392 2HB PHE 52 HB1 PHE 52 -3.500 -3.722 1.837 393 HD1 PHE 52 HD1 PHE 52 -5.481 -5.381 -0.811 394 HD2 PHE 52 HD2 PHE 52 -4.396 -5.300 3.303 395 HE1 PHE 52 HE1 PHE 52 -6.572 -7.562 -0.485 396 HE2 PHE 52 HE2 PHE 52 -5.484 -7.481 3.637 397 HZ PHE 52 HZ PHE 52 -6.574 -8.615 1.742 398 H THR 53 HN THR 53 -7.585 -2.966 1.713 399 HA THR 53 HA THR 53 -7.117 -1.944 4.420 400 HB THR 53 HB THR 53 -9.740 -2.478 3.012 401 HG1 THR 53 HG1 THR 53 -8.337 -0.726 2.187 402 1HG2 THR 53 HG21 THR 53 -9.085 -1.146 5.617 403 2HG2 THR 53 HG22 THR 53 -10.187 -2.490 5.317 404 3HG2 THR 53 HG23 THR 53 -10.598 -0.869 4.755 405 H VAL 54 HN VAL 54 -6.962 -3.323 6.067 406 HA VAL 54 HA VAL 54 -7.249 -6.124 5.696 407 HB VAL 54 HB VAL 54 -7.098 -4.703 8.346 408 1HG1 VAL 54 HG11 VAL 54 -5.922 -6.813 9.005 409 2HG1 VAL 54 HG12 VAL 54 -6.406 -7.488 7.449 410 3HG1 VAL 54 HG13 VAL 54 -7.632 -7.000 8.619 411 1HG2 VAL 54 HG21 VAL 54 -4.952 -5.314 6.347 412 2HG2 VAL 54 HG22 VAL 54 -4.588 -5.242 8.071 413 3HG2 VAL 54 HG23 VAL 54 -5.241 -3.826 7.248 414 H THR 55 HN THR 55 -8.666 -7.537 6.857 415 HA THR 55 HA THR 55 -11.086 -6.430 7.995 416 HB THR 55 HB THR 55 -11.207 -8.191 5.548 417 HG1 THR 55 HG1 THR 55 -11.854 -5.449 5.852 418 1HG2 THR 55 HG21 THR 55 -13.634 -7.452 5.595 419 2HG2 THR 55 HG22 THR 55 -13.341 -6.987 7.271 420 3HG2 THR 55 HG23 THR 55 -13.140 -8.667 6.773 421 H GLU 56 HN GLU 56 -10.261 -9.554 6.526 422 HA GLU 56 HA GLU 56 -10.106 -11.657 7.384 423 1HB GLU 56 HB2 GLU 56 -9.784 -10.408 10.109 424 2HB GLU 56 HB1 GLU 56 -9.198 -11.972 9.561 425 1HG GLU 56 HG2 GLU 56 -7.479 -11.023 8.304 426 2HG GLU 56 HG1 GLU 56 -8.229 -9.427 8.318 427 1H MET 1 HT1 MET 1 -10.195 15.805 2.294 428 2H MET 1 HT2 MET 1 -11.327 16.720 1.384 429 3H MET 1 HT3 MET 1 -10.088 17.514 2.267 430 HA MET 1 HA MET 1 -9.536 15.615 0.120 431 1HB MET 1 HB2 MET 1 -10.275 18.506 0.058 432 2HB MET 1 HB1 MET 1 -9.068 17.926 -1.078 433 1HG MET 1 HG2 MET 1 -11.466 16.267 -0.962 434 2HG MET 1 HG1 MET 1 -11.767 17.925 -1.476 435 1HE MET 1 HE1 MET 1 -8.423 15.564 -3.565 436 2HE MET 1 HE2 MET 1 -9.266 14.850 -2.190 437 3HE MET 1 HE3 MET 1 -8.335 16.333 -1.980 438 H GLN 2 HN GLN 2 -7.456 15.265 -0.159 439 HA GLN 2 HA GLN 2 -5.593 16.571 1.664 440 1HB GLN 2 HB2 GLN 2 -5.749 14.029 1.255 441 2HB GLN 2 HB1 GLN 2 -4.921 14.359 -0.260 442 1HG GLN 2 HG2 GLN 2 -2.951 14.824 0.749 443 2HG GLN 2 HG1 GLN 2 -3.716 15.472 2.200 444 1HE2 GLN 2 HE21 GLN 2 -4.084 12.350 0.575 445 2HE2 GLN 2 HE22 GLN 2 -3.608 11.390 1.930 446 H TYR 3 HN TYR 3 -4.320 18.190 1.025 447 HA TYR 3 HA TYR 3 -3.962 18.591 -1.861 448 1HB TYR 3 HB2 TYR 3 -4.167 20.518 0.421 449 2HB TYR 3 HB1 TYR 3 -3.303 20.986 -1.042 450 HD1 TYR 3 HD1 TYR 3 -6.547 20.479 0.477 451 HD2 TYR 3 HD2 TYR 3 -4.516 21.002 -3.224 452 HE1 TYR 3 HE1 TYR 3 -8.678 21.061 -0.606 453 HE2 TYR 3 HE2 TYR 3 -6.638 21.585 -4.316 454 HH TYR 3 HH TYR 3 -8.986 21.331 -4.031 455 H LYS 4 HN LYS 4 -2.074 18.554 -2.741 456 HA LYS 4 HA LYS 4 0.288 18.165 -1.027 457 1HB LYS 4 HB2 LYS 4 -0.562 17.088 -3.654 458 2HB LYS 4 HB1 LYS 4 1.153 17.433 -3.484 459 1HG LYS 4 HG2 LYS 4 0.957 16.070 -1.289 460 2HG LYS 4 HG1 LYS 4 -0.530 15.455 -2.011 461 1HD LYS 4 HD2 LYS 4 0.656 14.589 -3.895 462 2HD LYS 4 HD1 LYS 4 2.143 15.400 -3.403 463 1HE LYS 4 HE2 LYS 4 2.456 13.946 -1.580 464 2HE LYS 4 HE1 LYS 4 0.798 13.349 -1.669 465 1HZ LYS 4 HZ1 LYS 4 2.356 11.736 -2.556 466 2HZ LYS 4 HZ2 LYS 4 2.925 12.861 -3.684 467 3HZ LYS 4 HZ3 LYS 4 1.333 12.298 -3.782 468 H VAL 5 HN VAL 5 1.790 19.712 -0.934 469 HA VAL 5 HA VAL 5 2.172 21.473 -3.234 470 HB VAL 5 HB VAL 5 1.904 22.607 -0.452 471 1HG1 VAL 5 HG11 VAL 5 3.320 23.731 -2.265 472 2HG1 VAL 5 HG12 VAL 5 2.103 24.713 -1.451 473 3HG1 VAL 5 HG13 VAL 5 1.787 24.076 -3.065 474 1HG2 VAL 5 HG21 VAL 5 -0.126 22.375 -2.658 475 2HG2 VAL 5 HG22 VAL 5 -0.236 23.611 -1.404 476 3HG2 VAL 5 HG23 VAL 5 -0.283 21.903 -0.966 477 H ILE 6 HN ILE 6 4.244 21.633 -3.697 478 HA ILE 6 HA ILE 6 6.242 20.780 -1.736 479 HB ILE 6 HB ILE 6 6.733 21.545 -4.613 480 1HG1 ILE 6 HG12 ILE 6 6.144 18.763 -3.582 481 2HG1 ILE 6 HG11 ILE 6 4.947 19.775 -4.383 482 1HG2 ILE 6 HG21 ILE 6 8.697 20.165 -4.389 483 2HG2 ILE 6 HG22 ILE 6 8.220 19.694 -2.758 484 3HG2 ILE 6 HG23 ILE 6 8.671 21.365 -3.097 485 1HD1 ILE 6 HD11 ILE 6 6.494 17.966 -5.638 486 2HD1 ILE 6 HD12 ILE 6 7.468 19.422 -5.846 487 3HD1 ILE 6 HD13 ILE 6 5.800 19.387 -6.419 488 H LEU 7 HN LEU 7 7.190 22.241 -0.519 489 HA LEU 7 HA LEU 7 7.716 24.921 -1.613 490 1HB LEU 7 HB2 LEU 7 6.382 24.094 0.887 491 2HB LEU 7 HB1 LEU 7 7.628 25.308 1.096 492 HG LEU 7 HG LEU 7 6.272 26.430 -0.939 493 1HD1 LEU 7 HD11 LEU 7 4.074 25.915 -1.071 494 2HD1 LEU 7 HD12 LEU 7 3.960 25.483 0.634 495 3HD1 LEU 7 HD13 LEU 7 4.646 24.340 -0.520 496 1HD2 LEU 7 HD21 LEU 7 6.736 26.980 1.696 497 2HD2 LEU 7 HD22 LEU 7 4.975 26.934 1.634 498 3HD2 LEU 7 HD23 LEU 7 5.864 28.029 0.578 499 H ASN 8 HN ASN 8 9.883 25.065 -1.892 500 HA ASN 8 HA ASN 8 11.621 24.254 0.292 501 1HB ASN 8 HB2 ASN 8 11.246 22.310 -1.374 502 2HB ASN 8 HB1 ASN 8 12.290 23.231 -2.449 503 1HD2 ASN 8 HD21 ASN 8 13.817 21.550 -2.364 504 2HD2 ASN 8 HD22 ASN 8 14.849 21.348 -0.993 505 H GLY 9 HN GLY 9 12.895 25.871 0.669 506 1HA GLY 9 HA2 GLY 9 13.288 28.056 -1.055 507 2HA GLY 9 HA1 GLY 9 14.166 27.746 0.427 508 H LYS 10 HN LYS 10 14.157 25.766 -2.550 509 HA LYS 10 HA LYS 10 17.065 26.033 -2.612 510 1HB LYS 10 HB2 LYS 10 15.117 24.051 -3.607 511 2HB LYS 10 HB1 LYS 10 16.455 24.376 -4.700 512 1HG LYS 10 HG2 LYS 10 17.051 23.825 -1.837 513 2HG LYS 10 HG1 LYS 10 16.607 22.484 -2.894 514 1HD LYS 10 HD2 LYS 10 18.428 23.744 -4.443 515 2HD LYS 10 HD1 LYS 10 19.054 24.129 -2.839 516 1HE LYS 10 HE2 LYS 10 19.423 21.904 -2.307 517 2HE LYS 10 HE1 LYS 10 18.267 21.322 -3.504 518 1HZ LYS 10 HZ1 LYS 10 19.775 21.515 -5.190 519 2HZ LYS 10 HZ2 LYS 10 20.822 21.138 -3.916 520 3HZ LYS 10 HZ3 LYS 10 20.661 22.741 -4.432 521 H THR 11 HN THR 11 17.779 27.771 -3.678 522 HA THR 11 HA THR 11 16.341 28.624 -6.062 523 HB THR 11 HB THR 11 18.309 30.368 -4.686 524 HG1 THR 11 HG1 THR 11 15.635 29.933 -3.852 525 1HG2 THR 11 HG21 THR 11 15.668 31.237 -5.760 526 2HG2 THR 11 HG22 THR 11 17.022 30.950 -6.854 527 3HG2 THR 11 HG23 THR 11 17.164 32.152 -5.571 528 H LEU 12 HN LEU 12 19.431 28.167 -4.779 529 HA LEU 12 HA LEU 12 21.492 27.741 -5.665 530 1HB LEU 12 HB2 LEU 12 19.579 26.386 -7.341 531 2HB LEU 12 HB1 LEU 12 20.955 26.911 -8.293 532 HG LEU 12 HG LEU 12 21.238 25.316 -5.752 533 1HD1 LEU 12 HD11 LEU 12 21.411 23.334 -7.045 534 2HD1 LEU 12 HD12 LEU 12 21.329 24.236 -8.559 535 3HD1 LEU 12 HD13 LEU 12 19.909 24.128 -7.518 536 1HD2 LEU 12 HD21 LEU 12 23.466 25.136 -6.259 537 2HD2 LEU 12 HD22 LEU 12 23.126 26.752 -6.878 538 3HD2 LEU 12 HD23 LEU 12 23.207 25.383 -7.986 539 H LYS 13 HN LYS 13 19.835 28.646 -8.661 540 HA LYS 13 HA LYS 13 21.927 30.521 -9.310 541 1HB LYS 13 HB2 LYS 13 19.350 30.149 -10.824 542 2HB LYS 13 HB1 LYS 13 20.900 30.710 -11.436 543 1HG LYS 13 HG2 LYS 13 20.289 27.917 -10.490 544 2HG LYS 13 HG1 LYS 13 20.414 28.441 -12.171 545 1HD LYS 13 HD2 LYS 13 22.702 28.989 -10.351 546 2HD LYS 13 HD1 LYS 13 22.456 27.332 -10.907 547 1HE LYS 13 HE2 LYS 13 23.691 27.994 -12.666 548 2HE LYS 13 HE1 LYS 13 22.173 28.691 -13.229 549 1HZ LYS 13 HZ1 LYS 13 24.002 30.278 -13.339 550 2HZ LYS 13 HZ2 LYS 13 24.248 30.137 -11.671 551 3HZ LYS 13 HZ3 LYS 13 22.807 30.800 -12.260 552 H GLY 14 HN GLY 14 21.515 32.763 -9.872 553 1HA GLY 14 HA2 GLY 14 20.192 34.736 -9.775 554 2HA GLY 14 HA1 GLY 14 19.113 33.920 -8.653 555 H GLU 15 HN GLU 15 19.651 36.295 -7.824 556 HA GLU 15 HA GLU 15 21.885 36.048 -5.919 557 1HB GLU 15 HB2 GLU 15 21.693 38.604 -5.829 558 2HB GLU 15 HB1 GLU 15 22.405 37.893 -7.271 559 1HG GLU 15 HG2 GLU 15 20.913 39.662 -7.900 560 2HG GLU 15 HG1 GLU 15 20.241 38.117 -8.421 561 H THR 16 HN THR 16 21.439 37.677 -3.986 562 HA THR 16 HA THR 16 19.173 36.612 -2.615 563 HB THR 16 HB THR 16 21.186 37.077 -1.371 564 HG1 THR 16 HG1 THR 16 20.292 38.407 0.269 565 1HG2 THR 16 HG21 THR 16 21.284 39.829 -1.044 566 2HG2 THR 16 HG22 THR 16 21.149 39.583 -2.786 567 3HG2 THR 16 HG23 THR 16 22.455 38.812 -1.885 568 H THR 17 HN THR 17 17.199 37.446 -2.337 569 HA THR 17 HA THR 17 16.677 40.263 -2.671 570 HB THR 17 HB THR 17 14.746 39.467 -4.357 571 HG1 THR 17 HG1 THR 17 15.162 37.598 -5.172 572 1HG2 THR 17 HG21 THR 17 15.781 41.030 -5.522 573 2HG2 THR 17 HG22 THR 17 16.887 39.785 -6.103 574 3HG2 THR 17 HG23 THR 17 17.300 40.736 -4.676 575 H THR 18 HN THR 18 14.648 37.382 -3.073 576 HA THR 18 HA THR 18 13.565 37.620 -0.416 577 HB THR 18 HB THR 18 11.217 37.921 -1.226 578 HG1 THR 18 HG1 THR 18 10.937 37.812 -3.285 579 1HG2 THR 18 HG21 THR 18 11.239 40.252 -1.384 580 2HG2 THR 18 HG22 THR 18 12.861 40.275 -2.076 581 3HG2 THR 18 HG23 THR 18 12.631 39.841 -0.382 582 H GLU 19 HN GLU 19 11.480 36.140 -0.369 583 HA GLU 19 HA GLU 19 11.643 33.872 -2.140 584 1HB GLU 19 HB2 GLU 19 12.015 32.221 -0.386 585 2HB GLU 19 HB1 GLU 19 13.377 33.326 -0.490 586 1HG GLU 19 HG2 GLU 19 12.782 34.418 1.498 587 2HG GLU 19 HG1 GLU 19 11.166 33.712 1.497 588 H ALA 20 HN ALA 20 10.056 32.107 -1.142 589 HA ALA 20 HA ALA 20 7.847 33.246 0.306 590 1HB ALA 20 HB1 ALA 20 7.773 33.841 -2.286 591 2HB ALA 20 HB2 ALA 20 6.317 33.506 -1.348 592 3HB ALA 20 HB3 ALA 20 7.031 32.243 -2.351 593 H VAL 21 HN VAL 21 9.024 30.588 -1.711 594 HA VAL 21 HA VAL 21 7.211 28.750 -0.413 595 HB VAL 21 HB VAL 21 8.154 27.032 -1.893 596 1HG1 VAL 21 HG11 VAL 21 6.258 28.279 -2.668 597 2HG1 VAL 21 HG12 VAL 21 7.360 28.035 -4.021 598 3HG1 VAL 21 HG13 VAL 21 7.291 29.601 -3.210 599 1HG2 VAL 21 HG21 VAL 21 9.926 27.349 -3.294 600 2HG2 VAL 21 HG22 VAL 21 10.418 28.388 -1.957 601 3HG2 VAL 21 HG23 VAL 21 9.678 29.092 -3.395 602 H ASP 22 HN ASP 22 8.641 29.597 1.616 603 HA ASP 22 HA ASP 22 10.822 27.681 2.057 604 1HB ASP 22 HB2 ASP 22 10.879 30.271 2.621 605 2HB ASP 22 HB1 ASP 22 10.038 29.747 4.077 606 H ALA 23 HN ALA 23 10.783 26.224 3.696 607 HA ALA 23 HA ALA 23 8.419 24.939 4.288 608 1HB ALA 23 HB1 ALA 23 11.177 24.902 5.315 609 2HB ALA 23 HB2 ALA 23 10.175 23.587 4.701 610 3HB ALA 23 HB3 ALA 23 9.949 24.169 6.352 611 H ALA 24 HN ALA 24 10.192 27.298 6.270 612 HA ALA 24 HA ALA 24 8.395 27.270 8.456 613 1HB ALA 24 HB1 ALA 24 10.449 28.139 9.031 614 2HB ALA 24 HB2 ALA 24 9.498 29.612 8.839 615 3HB ALA 24 HB3 ALA 24 10.583 29.088 7.550 616 H THR 25 HN THR 25 8.486 29.003 5.428 617 HA THR 25 HA THR 25 6.648 31.052 6.037 618 HB THR 25 HB THR 25 7.313 29.723 3.402 619 HG1 THR 25 HG1 THR 25 8.277 32.040 4.701 620 1HG2 THR 25 HG21 THR 25 5.527 30.809 2.618 621 2HG2 THR 25 HG22 THR 25 6.579 32.225 2.725 622 3HG2 THR 25 HG23 THR 25 5.430 31.881 4.018 623 H PHE 26 HN PHE 26 6.253 27.793 4.783 624 HA PHE 26 HA PHE 26 3.483 27.996 4.242 625 1HB PHE 26 HB2 PHE 26 5.160 26.201 3.435 626 2HB PHE 26 HB1 PHE 26 4.822 25.407 4.970 627 HD1 PHE 26 HD1 PHE 26 2.848 27.083 2.288 628 HD2 PHE 26 HD2 PHE 26 3.280 23.713 4.848 629 HE1 PHE 26 HE1 PHE 26 0.822 26.090 1.311 630 HE2 PHE 26 HE2 PHE 26 1.253 22.712 3.875 631 HZ PHE 26 HZ PHE 26 0.021 23.901 2.105 632 H GLU 27 HN GLU 27 5.255 26.626 7.016 633 HA GLU 27 HA GLU 27 3.055 25.834 8.522 634 1HB GLU 27 HB2 GLU 27 5.699 26.916 9.511 635 2HB GLU 27 HB1 GLU 27 4.538 26.032 10.491 636 1HG GLU 27 HG2 GLU 27 4.832 24.062 9.105 637 2HG GLU 27 HG1 GLU 27 5.949 24.944 8.065 638 H LYS 28 HN LYS 28 4.771 28.954 8.587 639 HA LYS 28 HA LYS 28 3.127 30.141 10.531 640 1HB LYS 28 HB2 LYS 28 5.388 30.936 9.916 641 2HB LYS 28 HB1 LYS 28 4.752 31.501 8.378 642 1HG LYS 28 HG2 LYS 28 3.204 32.987 9.654 643 2HG LYS 28 HG1 LYS 28 4.061 32.516 11.123 644 1HD LYS 28 HD2 LYS 28 5.513 33.638 8.746 645 2HD LYS 28 HD1 LYS 28 4.777 34.688 9.958 646 1HE LYS 28 HE2 LYS 28 6.132 32.991 11.554 647 2HE LYS 28 HE1 LYS 28 7.169 32.970 10.129 648 1HZ LYS 28 HZ1 LYS 28 6.258 35.546 11.218 649 2HZ LYS 28 HZ2 LYS 28 7.662 35.189 10.344 650 3HZ LYS 28 HZ3 LYS 28 7.540 34.734 11.968 651 H VAL 29 HN VAL 29 3.078 30.570 6.951 652 HA VAL 29 HA VAL 29 0.842 32.287 6.949 653 HB VAL 29 HB VAL 29 1.768 30.448 4.738 654 1HG1 VAL 29 HG11 VAL 29 0.334 31.484 3.297 655 2HG1 VAL 29 HG12 VAL 29 0.334 32.995 4.204 656 3HG1 VAL 29 HG13 VAL 29 -0.622 31.624 4.773 657 1HG2 VAL 29 HG21 VAL 29 3.361 31.926 4.177 658 2HG2 VAL 29 HG22 VAL 29 3.212 32.464 5.850 659 3HG2 VAL 29 HG23 VAL 29 2.351 33.318 4.570 660 H VAL 30 HN VAL 30 1.116 28.794 6.495 661 HA VAL 30 HA VAL 30 -1.642 28.422 5.961 662 HB VAL 30 HB VAL 30 0.326 26.362 6.977 663 1HG1 VAL 30 HG11 VAL 30 -1.243 24.833 5.657 664 2HG1 VAL 30 HG12 VAL 30 -2.393 26.169 5.722 665 3HG1 VAL 30 HG13 VAL 30 -1.808 25.434 7.215 666 1HG2 VAL 30 HG21 VAL 30 -0.419 26.647 4.103 667 2HG2 VAL 30 HG22 VAL 30 1.037 25.967 4.827 668 3HG2 VAL 30 HG23 VAL 30 0.808 27.715 4.785 669 H LYS 31 HN LYS 31 0.286 28.177 8.937 670 HA LYS 31 HA LYS 31 -1.895 27.245 10.493 671 1HB LYS 31 HB2 LYS 31 0.423 26.875 11.168 672 2HB LYS 31 HB1 LYS 31 0.679 28.608 11.305 673 1HG LYS 31 HG2 LYS 31 -1.169 28.580 13.053 674 2HG LYS 31 HG1 LYS 31 -0.986 26.824 13.046 675 1HD LYS 31 HD2 LYS 31 1.427 27.127 13.547 676 2HD LYS 31 HD1 LYS 31 1.144 28.864 13.681 677 1HE LYS 31 HE2 LYS 31 -0.507 28.400 15.475 678 2HE LYS 31 HE1 LYS 31 -0.070 26.694 15.386 679 1HZ LYS 31 HZ1 LYS 31 1.889 27.049 16.421 680 2HZ LYS 31 HZ2 LYS 31 1.073 28.383 17.063 681 3HZ LYS 31 HZ3 LYS 31 2.116 28.584 15.747 682 H GLN 32 HN GLN 32 -0.431 30.448 9.979 683 HA GLN 32 HA GLN 32 -2.137 31.851 11.738 684 1HB GLN 32 HB2 GLN 32 0.005 32.747 10.879 685 2HB GLN 32 HB1 GLN 32 -0.722 32.904 9.285 686 1HG GLN 32 HG2 GLN 32 -1.106 35.007 9.964 687 2HG GLN 32 HG1 GLN 32 -2.510 34.278 10.743 688 1HE2 GLN 32 HE21 GLN 32 -2.422 36.069 12.216 689 2HE2 GLN 32 HE22 GLN 32 -1.319 36.042 13.545 690 H PHE 33 HN PHE 33 -2.349 31.168 8.249 691 HA PHE 33 HA PHE 33 -4.633 32.724 7.750 692 1HB PHE 33 HB2 PHE 33 -3.467 32.141 5.851 693 2HB PHE 33 HB1 PHE 33 -3.196 30.493 6.395 694 HD1 PHE 33 HD1 PHE 33 -6.202 32.601 5.637 695 HD2 PHE 33 HD2 PHE 33 -4.115 28.939 5.090 696 HE1 PHE 33 HE1 PHE 33 -8.018 31.789 4.182 697 HE2 PHE 33 HE2 PHE 33 -5.926 28.116 3.638 698 HZ PHE 33 HZ PHE 33 -7.881 29.537 3.186 699 H PHE 34 HN PHE 34 -4.287 29.294 8.537 700 HA PHE 34 HA PHE 34 -7.114 28.852 8.429 701 1HB PHE 34 HB2 PHE 34 -4.738 27.143 9.032 702 2HB PHE 34 HB1 PHE 34 -6.356 26.560 9.422 703 HD1 PHE 34 HD1 PHE 34 -3.898 26.629 6.924 704 HD2 PHE 34 HD2 PHE 34 -8.111 26.891 7.442 705 HE1 PHE 34 HE1 PHE 34 -4.235 26.003 4.564 706 HE2 PHE 34 HE2 PHE 34 -8.449 26.263 5.101 707 HZ PHE 34 HZ PHE 34 -6.519 25.833 3.651 708 H ASN 35 HN ASN 35 -4.834 29.556 11.022 709 HA ASN 35 HA ASN 35 -6.306 28.699 13.221 710 1HB ASN 35 HB2 ASN 35 -4.396 30.976 12.804 711 2HB ASN 35 HB1 ASN 35 -5.224 30.798 14.346 712 1HD2 ASN 35 HD21 ASN 35 -4.503 27.906 12.605 713 2HD2 ASN 35 HD22 ASN 35 -3.167 27.406 13.575 714 H ASP 36 HN ASP 36 -6.746 31.474 11.177 715 HA ASP 36 HA ASP 36 -8.479 33.024 12.711 716 1HB ASP 36 HB2 ASP 36 -8.288 32.684 9.715 717 2HB ASP 36 HB1 ASP 36 -9.241 33.937 10.504 718 H ASN 37 HN ASN 37 -9.039 29.973 11.303 719 HA ASN 37 HA ASN 37 -11.953 30.373 11.504 720 1HB ASN 37 HB2 ASN 37 -12.300 28.596 9.939 721 2HB ASN 37 HB1 ASN 37 -11.118 29.709 9.260 722 1HD2 ASN 37 HD21 ASN 37 -9.274 28.918 8.559 723 2HD2 ASN 37 HD22 ASN 37 -8.687 27.323 8.863 724 H GLY 38 HN GLY 38 -9.465 29.050 13.254 725 1HA GLY 38 HA2 GLY 38 -9.940 28.025 15.356 726 2HA GLY 38 HA1 GLY 38 -11.382 27.316 14.650 727 H VAL 39 HN VAL 39 -7.947 27.285 13.667 728 HA VAL 39 HA VAL 39 -8.004 24.348 13.895 729 HB VAL 39 HB VAL 39 -6.548 25.900 11.733 730 1HG1 VAL 39 HG11 VAL 39 -5.216 24.042 11.964 731 2HG1 VAL 39 HG12 VAL 39 -6.426 23.403 10.853 732 3HG1 VAL 39 HG13 VAL 39 -6.533 23.040 12.575 733 1HG2 VAL 39 HG21 VAL 39 -9.231 24.802 11.869 734 2HG2 VAL 39 HG22 VAL 39 -8.303 24.147 10.520 735 3HG2 VAL 39 HG23 VAL 39 -8.513 25.890 10.682 736 H ASP 40 HN ASP 40 -6.210 23.458 14.930 737 HA ASP 40 HA ASP 40 -3.902 25.161 15.371 738 1HB ASP 40 HB2 ASP 40 -5.565 24.081 17.654 739 2HB ASP 40 HB1 ASP 40 -4.002 24.871 17.825 740 H GLY 41 HN GLY 41 -2.506 23.863 17.144 741 1HA GLY 41 HA2 GLY 41 -1.944 21.514 17.774 742 2HA GLY 41 HA1 GLY 41 -2.286 21.104 16.099 743 H GLU 42 HN GLU 42 -0.270 20.299 15.618 744 HA GLU 42 HA GLU 42 1.777 22.317 15.185 745 1HB GLU 42 HB2 GLU 42 2.250 19.826 16.826 746 2HB GLU 42 HB1 GLU 42 3.530 20.852 16.194 747 1HG GLU 42 HG2 GLU 42 2.393 22.749 17.467 748 2HG GLU 42 HG1 GLU 42 1.497 21.479 18.301 749 H TRP 43 HN TRP 43 3.418 21.660 13.699 750 HA TRP 43 HA TRP 43 2.429 19.943 11.631 751 1HB TRP 43 HB2 TRP 43 5.014 21.464 11.974 752 2HB TRP 43 HB1 TRP 43 4.663 20.479 10.557 753 HD1 TRP 43 HD1 TRP 43 3.774 23.796 12.192 754 HE1 TRP 43 HE1 TRP 43 2.404 25.208 10.532 755 HE3 TRP 43 HE3 TRP 43 2.996 20.268 8.572 756 HZ2 TRP 43 HZ2 TRP 43 1.158 24.871 8.022 757 HZ3 TRP 43 HZ3 TRP 43 1.705 20.895 6.573 758 HH2 TRP 43 HH2 TRP 43 0.805 23.149 6.306 759 H THR 44 HN THR 44 2.551 17.834 11.668 760 HA THR 44 HA THR 44 4.808 16.582 13.071 761 HB THR 44 HB THR 44 3.410 14.583 13.251 762 HG1 THR 44 HG1 THR 44 1.904 14.410 11.816 763 1HG2 THR 44 HG21 THR 44 3.106 16.733 14.790 764 2HG2 THR 44 HG22 THR 44 2.162 15.258 14.999 765 3HG2 THR 44 HG23 THR 44 1.476 16.628 14.126 766 H TYR 45 HN TYR 45 6.018 15.052 12.091 767 HA TYR 45 HA TYR 45 6.252 15.206 9.253 768 1HB TYR 45 HB2 TYR 45 7.667 13.650 11.394 769 2HB TYR 45 HB1 TYR 45 7.946 13.275 9.695 770 HD1 TYR 45 HD1 TYR 45 8.673 15.541 12.409 771 HD2 TYR 45 HD2 TYR 45 8.861 15.062 8.185 772 HE1 TYR 45 HE1 TYR 45 10.303 17.378 12.279 773 HE2 TYR 45 HE2 TYR 45 10.494 16.896 8.044 774 HH TYR 45 HH TYR 45 12.154 18.007 9.536 775 H ASP 46 HN ASP 46 5.725 13.730 7.690 776 HA ASP 46 HA ASP 46 3.537 11.997 8.247 777 1HB ASP 46 HB2 ASP 46 5.238 12.227 5.750 778 2HB ASP 46 HB1 ASP 46 3.692 11.391 5.862 779 H ASP 47 HN ASP 47 3.509 9.670 7.697 780 HA ASP 47 HA ASP 47 5.531 8.253 9.070 781 1HB ASP 47 HB2 ASP 47 3.172 7.451 7.402 782 2HB ASP 47 HB1 ASP 47 4.333 6.233 7.920 783 H ALA 48 HN ALA 48 7.365 7.300 8.403 784 HA ALA 48 HA ALA 48 8.587 7.921 6.001 785 1HB ALA 48 HB1 ALA 48 9.408 6.766 8.290 786 2HB ALA 48 HB2 ALA 48 10.359 6.779 6.804 787 3HB ALA 48 HB3 ALA 48 9.394 5.363 7.222 788 H THR 49 HN THR 49 8.815 6.943 4.045 789 HA THR 49 HA THR 49 7.394 4.423 3.562 790 HB THR 49 HB THR 49 7.162 6.753 1.665 791 HG1 THR 49 HG1 THR 49 5.701 7.579 2.894 792 1HG2 THR 49 HG21 THR 49 4.982 4.831 1.849 793 2HG2 THR 49 HG22 THR 49 6.505 4.132 1.300 794 3HG2 THR 49 HG23 THR 49 5.798 5.497 0.436 795 H LYS 50 HN LYS 50 8.172 3.213 1.788 796 HA LYS 50 HA LYS 50 10.775 4.130 0.757 797 1HB LYS 50 HB2 LYS 50 9.895 1.504 1.838 798 2HB LYS 50 HB1 LYS 50 11.004 1.477 0.473 799 1HG LYS 50 HG2 LYS 50 12.621 2.776 1.701 800 2HG LYS 50 HG1 LYS 50 11.494 2.960 3.047 801 1HD LYS 50 HD2 LYS 50 12.059 0.190 2.201 802 2HD LYS 50 HD1 LYS 50 13.402 1.061 2.943 803 1HE LYS 50 HE2 LYS 50 11.647 1.703 4.746 804 2HE LYS 50 HE1 LYS 50 10.744 0.332 4.105 805 1HZ LYS 50 HZ1 LYS 50 11.955 -0.843 5.548 806 2HZ LYS 50 HZ2 LYS 50 13.122 0.368 5.733 807 3HZ LYS 50 HZ3 LYS 50 13.211 -0.699 4.423 808 H THR 51 HN THR 51 11.156 4.004 -1.384 809 HA THR 51 HA THR 51 9.040 2.865 -3.083 810 HB THR 51 HB THR 51 10.467 5.526 -3.336 811 HG1 THR 51 HG1 THR 51 8.448 6.334 -3.163 812 1HG2 THR 51 HG21 THR 51 9.215 5.862 -5.429 813 2HG2 THR 51 HG22 THR 51 8.741 4.164 -5.398 814 3HG2 THR 51 HG23 THR 51 10.441 4.601 -5.568 815 H PHE 52 HN PHE 52 9.721 1.573 -4.742 816 HA PHE 52 HA PHE 52 12.520 0.874 -4.817 817 1HB PHE 52 HB2 PHE 52 10.630 -0.803 -4.993 818 2HB PHE 52 HB1 PHE 52 10.341 -0.191 -6.619 819 HD1 PHE 52 HD1 PHE 52 12.866 -1.827 -4.466 820 HD2 PHE 52 HD2 PHE 52 11.613 -0.924 -8.430 821 HE1 PHE 52 HE1 PHE 52 14.566 -3.370 -5.350 822 HE2 PHE 52 HE2 PHE 52 13.310 -2.466 -9.323 823 HZ PHE 52 HZ PHE 52 14.789 -3.692 -7.782 824 H THR 53 HN THR 53 13.985 1.736 -6.105 825 HA THR 53 HA THR 53 13.086 3.289 -8.423 826 HB THR 53 HB THR 53 15.811 3.223 -7.109 827 HG1 THR 53 HG1 THR 53 13.976 4.138 -5.882 828 1HG2 THR 53 HG21 THR 53 14.650 4.969 -9.253 829 2HG2 THR 53 HG22 THR 53 16.129 4.009 -9.299 830 3HG2 THR 53 HG23 THR 53 16.041 5.446 -8.279 831 H VAL 54 HN VAL 54 13.291 2.463 -10.405 832 HA VAL 54 HA VAL 54 14.455 -0.093 -10.832 833 HB VAL 54 HB VAL 54 13.739 1.900 -12.972 834 1HG1 VAL 54 HG11 VAL 54 13.255 -0.193 -14.257 835 2HG1 VAL 54 HG12 VAL 54 13.999 -1.095 -12.936 836 3HG1 VAL 54 HG13 VAL 54 14.954 0.064 -13.862 837 1HG2 VAL 54 HG21 VAL 54 11.995 0.104 -11.327 838 2HG2 VAL 54 HG22 VAL 54 11.541 0.546 -12.973 839 3HG2 VAL 54 HG23 VAL 54 11.759 1.800 -11.752 840 H THR 55 HN THR 55 16.185 -0.598 -12.294 841 HA THR 55 HA THR 55 18.082 1.486 -12.950 842 HB THR 55 HB THR 55 18.861 -0.772 -11.105 843 HG1 THR 55 HG1 THR 55 18.609 2.001 -10.581 844 1HG2 THR 55 HG21 THR 55 20.931 0.668 -10.825 845 2HG2 THR 55 HG22 THR 55 20.431 1.476 -12.311 846 3HG2 THR 55 HG23 THR 55 20.787 -0.252 -12.322 847 H GLU 56 HN GLU 56 18.347 -2.021 -12.475 848 HA GLU 56 HA GLU 56 18.819 -3.731 -13.900 849 1HB GLU 56 HB2 GLU 56 17.984 -1.929 -16.169 850 2HB GLU 56 HB1 GLU 56 17.946 -3.686 -16.113 851 1HG GLU 56 HG2 GLU 56 16.083 -3.722 -14.715 852 2HG GLU 56 HG1 GLU 56 16.294 -2.038 -14.239 853 1H MET 1 HT1 MET 1 4.615 0.631 8.593 854 2H MET 1 HT2 MET 1 6.051 -0.202 9.032 855 3H MET 1 HT3 MET 1 4.968 -0.892 7.893 856 HA MET 1 HA MET 1 6.296 1.674 7.461 857 1HB MET 1 HB2 MET 1 7.261 -1.130 7.126 858 2HB MET 1 HB1 MET 1 7.716 0.058 5.915 859 1HG MET 1 HG2 MET 1 8.112 0.936 8.677 860 2HG MET 1 HG1 MET 1 9.084 -0.457 8.205 861 1HE MET 1 HE1 MET 1 9.109 3.228 5.461 862 2HE MET 1 HE2 MET 1 8.022 3.188 6.849 863 3HE MET 1 HE3 MET 1 7.852 1.995 5.561 864 H GLN 2 HN GLN 2 5.667 2.600 5.643 865 HA GLN 2 HA GLN 2 3.651 1.245 4.034 866 1HB GLN 2 HB2 GLN 2 3.472 3.657 4.923 867 2HB GLN 2 HB1 GLN 2 4.612 4.069 3.650 868 1HG GLN 2 HG2 GLN 2 3.095 3.781 1.997 869 2HG GLN 2 HG1 GLN 2 2.220 2.519 2.864 870 1HE2 GLN 2 HE21 GLN 2 3.084 5.811 3.826 871 2HE2 GLN 2 HE22 GLN 2 1.464 6.349 4.092 872 H TYR 3 HN TYR 3 4.123 0.307 2.149 873 HA TYR 3 HA TYR 3 6.681 1.005 0.886 874 1HB TYR 3 HB2 TYR 3 5.171 -1.576 1.047 875 2HB TYR 3 HB1 TYR 3 6.277 -1.291 -0.293 876 HD1 TYR 3 HD1 TYR 3 5.985 -2.129 3.212 877 HD2 TYR 3 HD2 TYR 3 8.693 -0.861 0.185 878 HE1 TYR 3 HE1 TYR 3 7.879 -2.809 4.627 879 HE2 TYR 3 HE2 TYR 3 10.593 -1.538 1.590 880 HH TYR 3 HH TYR 3 11.140 -1.978 3.862 881 H LYS 4 HN LYS 4 6.762 1.787 -1.034 882 HA LYS 4 HA LYS 4 4.259 2.128 -2.549 883 1HB LYS 4 HB2 LYS 4 6.693 3.785 -2.167 884 2HB LYS 4 HB1 LYS 4 5.965 3.833 -3.766 885 1HG LYS 4 HG2 LYS 4 3.764 4.299 -2.486 886 2HG LYS 4 HG1 LYS 4 4.834 4.728 -1.150 887 1HD LYS 4 HD2 LYS 4 5.874 6.448 -2.428 888 2HD LYS 4 HD1 LYS 4 5.094 5.903 -3.913 889 1HE LYS 4 HE2 LYS 4 2.984 6.679 -3.210 890 2HE LYS 4 HE1 LYS 4 3.519 6.860 -1.539 891 1HZ LYS 4 HZ1 LYS 4 3.371 8.999 -2.634 892 2HZ LYS 4 HZ2 LYS 4 4.439 8.493 -3.844 893 3HZ LYS 4 HZ3 LYS 4 4.983 8.656 -2.252 894 H VAL 5 HN VAL 5 3.993 1.042 -4.404 895 HA VAL 5 HA VAL 5 6.345 0.317 -5.978 896 HB VAL 5 HB VAL 5 4.214 -1.725 -5.355 897 1HG1 VAL 5 HG11 VAL 5 5.579 -1.784 -7.519 898 2HG1 VAL 5 HG12 VAL 5 5.537 -3.250 -6.539 899 3HG1 VAL 5 HG13 VAL 5 6.951 -2.197 -6.491 900 1HG2 VAL 5 HG21 VAL 5 6.897 -1.264 -4.077 901 2HG2 VAL 5 HG22 VAL 5 6.096 -2.835 -4.050 902 3HG2 VAL 5 HG23 VAL 5 5.325 -1.439 -3.297 903 H ILE 6 HN ILE 6 6.040 0.819 -8.023 904 HA ILE 6 HA ILE 6 3.342 1.399 -8.978 905 HB ILE 6 HB ILE 6 5.910 1.812 -10.497 906 1HG1 ILE 6 HG12 ILE 6 4.541 3.848 -8.731 907 2HG1 ILE 6 HG11 ILE 6 5.944 2.913 -8.224 908 1HG2 ILE 6 HG21 ILE 6 4.637 3.450 -11.724 909 2HG2 ILE 6 HG22 ILE 6 3.245 3.208 -10.668 910 3HG2 ILE 6 HG23 ILE 6 3.778 1.910 -11.737 911 1HD1 ILE 6 HD11 ILE 6 6.072 5.351 -9.353 912 2HD1 ILE 6 HD12 ILE 6 6.237 4.326 -10.780 913 3HD1 ILE 6 HD13 ILE 6 7.364 4.153 -9.434 914 H LEU 7 HN LEU 7 2.241 -0.113 -10.003 915 HA LEU 7 HA LEU 7 3.689 -2.050 -11.679 916 1HB LEU 7 HB2 LEU 7 1.700 -2.474 -9.541 917 2HB LEU 7 HB1 LEU 7 1.363 -3.344 -11.025 918 HG LEU 7 HG LEU 7 3.952 -4.001 -10.728 919 1HD1 LEU 7 HD11 LEU 7 4.747 -4.000 -8.616 920 2HD1 LEU 7 HD12 LEU 7 3.152 -4.220 -7.896 921 3HD1 LEU 7 HD13 LEU 7 3.657 -2.623 -8.450 922 1HD2 LEU 7 HD21 LEU 7 1.553 -5.304 -10.603 923 2HD2 LEU 7 HD22 LEU 7 2.241 -5.648 -9.017 924 3HD2 LEU 7 HD23 LEU 7 3.133 -6.079 -10.473 925 H ASN 8 HN ASN 8 3.246 -1.551 -13.743 926 HA ASN 8 HA ASN 8 0.519 -1.249 -14.610 927 1HB ASN 8 HB2 ASN 8 1.482 1.056 -13.813 928 2HB ASN 8 HB1 ASN 8 2.359 1.007 -15.335 929 1HD2 ASN 8 HD21 ASN 8 1.286 2.756 -16.170 930 2HD2 ASN 8 HD22 ASN 8 -0.368 2.690 -16.666 931 H GLY 9 HN GLY 9 0.668 -2.815 -16.136 932 1HA GLY 9 HA2 GLY 9 2.965 -3.486 -17.584 933 2HA GLY 9 HA1 GLY 9 1.327 -3.925 -18.030 934 H LYS 10 HN LYS 10 3.556 -1.134 -18.135 935 HA LYS 10 HA LYS 10 2.168 0.051 -20.357 936 1HB LYS 10 HB2 LYS 10 4.557 0.707 -18.722 937 2HB LYS 10 HB1 LYS 10 4.540 1.339 -20.361 938 1HG LYS 10 HG2 LYS 10 2.076 1.741 -18.791 939 2HG LYS 10 HG1 LYS 10 3.503 2.632 -18.258 940 1HD LYS 10 HD2 LYS 10 2.491 2.630 -21.098 941 2HD LYS 10 HD1 LYS 10 2.050 3.849 -19.901 942 1HE LYS 10 HE2 LYS 10 4.766 3.268 -21.057 943 2HE LYS 10 HE1 LYS 10 3.835 4.762 -21.158 944 1HZ LYS 10 HZ1 LYS 10 5.522 5.084 -19.552 945 2HZ LYS 10 HZ2 LYS 10 5.170 3.629 -18.765 946 3HZ LYS 10 HZ3 LYS 10 4.075 4.916 -18.691 947 H THR 11 HN THR 11 2.311 -0.675 -22.377 948 HA THR 11 HA THR 11 4.904 -1.600 -23.374 949 HB THR 11 HB THR 11 3.640 -3.457 -24.601 950 HG1 THR 11 HG1 THR 11 1.727 -4.124 -23.583 951 1HG2 THR 11 HG21 THR 11 4.758 -4.658 -23.116 952 2HG2 THR 11 HG22 THR 11 3.313 -4.604 -22.107 953 3HG2 THR 11 HG23 THR 11 4.594 -3.413 -21.878 954 H LEU 12 HN LEU 12 4.813 0.534 -24.358 955 HA LEU 12 HA LEU 12 2.794 1.211 -26.238 956 1HB LEU 12 HB2 LEU 12 5.600 2.274 -25.938 957 2HB LEU 12 HB1 LEU 12 4.347 2.998 -26.929 958 HG LEU 12 HG LEU 12 3.793 2.601 -24.027 959 1HD1 LEU 12 HD11 LEU 12 5.430 4.891 -25.103 960 2HD1 LEU 12 HD12 LEU 12 6.061 3.569 -24.122 961 3HD1 LEU 12 HD13 LEU 12 4.869 4.678 -23.444 962 1HD2 LEU 12 HD21 LEU 12 3.142 4.912 -25.836 963 2HD2 LEU 12 HD22 LEU 12 2.379 4.469 -24.309 964 3HD2 LEU 12 HD23 LEU 12 2.139 3.465 -25.738 965 H LYS 13 HN LYS 13 6.233 0.586 -26.858 966 HA LYS 13 HA LYS 13 5.473 -0.958 -29.236 967 1HB LYS 13 HB2 LYS 13 6.066 1.434 -29.819 968 2HB LYS 13 HB1 LYS 13 7.696 1.084 -29.259 969 1HG LYS 13 HG2 LYS 13 7.316 -0.961 -30.984 970 2HG LYS 13 HG1 LYS 13 6.338 0.299 -31.741 971 1HD LYS 13 HD2 LYS 13 9.035 1.076 -30.791 972 2HD LYS 13 HD1 LYS 13 8.957 0.021 -32.204 973 1HE LYS 13 HE2 LYS 13 7.111 2.313 -32.232 974 2HE LYS 13 HE1 LYS 13 8.824 2.723 -32.304 975 1HZ LYS 13 HZ1 LYS 13 8.503 2.394 -34.491 976 2HZ LYS 13 HZ2 LYS 13 7.150 1.402 -34.273 977 3HZ LYS 13 HZ3 LYS 13 8.706 0.761 -34.097 978 H GLY 14 HN GLY 14 6.501 -2.847 -29.349 979 1HA GLY 14 HA2 GLY 14 9.160 -3.388 -28.996 980 2HA GLY 14 HA1 GLY 14 8.471 -3.539 -27.386 981 H GLU 15 HN GLU 15 9.315 -5.783 -27.727 982 HA GLU 15 HA GLU 15 8.158 -7.541 -29.587 983 1HB GLU 15 HB2 GLU 15 9.632 -7.863 -27.011 984 2HB GLU 15 HB1 GLU 15 8.812 -9.263 -27.691 985 1HG GLU 15 HG2 GLU 15 10.103 -8.422 -29.872 986 2HG GLU 15 HG1 GLU 15 11.204 -7.818 -28.634 987 H THR 16 HN THR 16 6.919 -9.571 -28.716 988 HA THR 16 HA THR 16 4.486 -8.540 -27.456 989 HB THR 16 HB THR 16 4.200 -9.623 -29.619 990 HG1 THR 16 HG1 THR 16 2.434 -10.520 -28.945 991 1HG2 THR 16 HG21 THR 16 6.144 -11.414 -28.776 992 2HG2 THR 16 HG22 THR 16 5.200 -11.486 -30.264 993 3HG2 THR 16 HG23 THR 16 4.652 -12.353 -28.829 994 H THR 17 HN THR 17 6.757 -9.068 -25.812 995 HA THR 17 HA THR 17 6.420 -11.609 -24.524 996 HB THR 17 HB THR 17 8.043 -10.734 -22.884 997 HG1 THR 17 HG1 THR 17 8.224 -8.675 -22.654 998 1HG2 THR 17 HG21 THR 17 8.935 -9.986 -25.652 999 2HG2 THR 17 HG22 THR 17 8.834 -11.647 -25.068 1000 3HG2 THR 17 HG23 THR 17 9.933 -10.505 -24.293 1001 H THR 18 HN THR 18 6.262 -11.478 -21.968 1002 HA THR 18 HA THR 18 3.609 -10.525 -21.429 1003 HB THR 18 HB THR 18 3.791 -11.658 -19.338 1004 HG1 THR 18 HG1 THR 18 5.676 -12.163 -18.402 1005 1HG2 THR 18 HG21 THR 18 3.734 -13.115 -21.370 1006 2HG2 THR 18 HG22 THR 18 4.418 -13.864 -19.927 1007 3HG2 THR 18 HG23 THR 18 5.482 -13.287 -21.210 1008 H GLU 19 HN GLU 19 3.655 -9.721 -18.786 1009 HA GLU 19 HA GLU 19 5.312 -7.328 -18.791 1010 1HB GLU 19 HB2 GLU 19 3.368 -6.040 -17.885 1011 2HB GLU 19 HB1 GLU 19 3.218 -6.538 -19.564 1012 1HG GLU 19 HG2 GLU 19 1.900 -8.516 -18.750 1013 2HG GLU 19 HG1 GLU 19 1.884 -7.752 -17.162 1014 H ALA 20 HN ALA 20 3.220 -9.226 -16.915 1015 HA ALA 20 HA ALA 20 3.373 -10.127 -14.822 1016 1HB ALA 20 HB1 ALA 20 6.034 -8.874 -14.350 1017 2HB ALA 20 HB2 ALA 20 5.866 -10.225 -15.474 1018 3HB ALA 20 HB3 ALA 20 5.398 -10.417 -13.784 1019 H VAL 21 HN VAL 21 4.647 -6.797 -14.929 1020 HA VAL 21 HA VAL 21 3.693 -6.214 -12.287 1021 HB VAL 21 HB VAL 21 4.245 -3.835 -12.856 1022 1HG1 VAL 21 HG11 VAL 21 5.880 -5.230 -11.772 1023 2HG1 VAL 21 HG12 VAL 21 6.684 -4.214 -12.968 1024 3HG1 VAL 21 HG13 VAL 21 6.373 -5.915 -13.320 1025 1HG2 VAL 21 HG21 VAL 21 4.986 -3.169 -14.912 1026 2HG2 VAL 21 HG22 VAL 21 3.892 -4.461 -15.408 1027 3HG2 VAL 21 HG23 VAL 21 5.627 -4.763 -15.316 1028 H ASP 22 HN ASP 22 1.514 -7.178 -13.240 1029 HA ASP 22 HA ASP 22 -0.138 -5.040 -14.383 1030 1HB ASP 22 HB2 ASP 22 -0.063 -7.578 -15.146 1031 2HB ASP 22 HB1 ASP 22 -1.192 -7.779 -13.812 1032 H ALA 23 HN ALA 23 -1.936 -4.262 -13.402 1033 HA ALA 23 HA ALA 23 -1.924 -3.851 -10.676 1034 1HB ALA 23 HB1 ALA 23 -3.857 -3.515 -12.873 1035 2HB ALA 23 HB2 ALA 23 -3.257 -2.345 -11.698 1036 3HB ALA 23 HB3 ALA 23 -4.522 -3.486 -11.237 1037 H ALA 24 HN ALA 24 -3.785 -6.237 -12.533 1038 HA ALA 24 HA ALA 24 -5.100 -7.399 -10.314 1039 1HB ALA 24 HB1 ALA 24 -6.163 -7.879 -12.302 1040 2HB ALA 24 HB2 ALA 24 -5.292 -9.384 -12.006 1041 3HB ALA 24 HB3 ALA 24 -4.653 -8.207 -13.154 1042 H THR 25 HN THR 25 -1.994 -7.929 -11.827 1043 HA THR 25 HA THR 25 -1.393 -10.444 -10.699 1044 HB THR 25 HB THR 25 0.451 -8.198 -11.558 1045 HG1 THR 25 HG1 THR 25 -0.563 -10.485 -12.889 1046 1HG2 THR 25 HG21 THR 25 2.047 -9.402 -10.564 1047 2HG2 THR 25 HG22 THR 25 1.871 -10.445 -11.983 1048 3HG2 THR 25 HG23 THR 25 1.044 -10.857 -10.481 1049 H PHE 26 HN PHE 26 -0.878 -7.147 -9.588 1050 HA PHE 26 HA PHE 26 0.671 -7.818 -7.317 1051 1HB PHE 26 HB2 PHE 26 0.357 -5.504 -8.425 1052 2HB PHE 26 HB1 PHE 26 -1.091 -5.385 -7.429 1053 HD1 PHE 26 HD1 PHE 26 2.449 -6.468 -6.973 1054 HD2 PHE 26 HD2 PHE 26 -0.825 -4.197 -5.482 1055 HE1 PHE 26 HE1 PHE 26 3.830 -5.736 -5.073 1056 HE2 PHE 26 HE2 PHE 26 0.551 -3.459 -3.579 1057 HZ PHE 26 HZ PHE 26 2.881 -4.229 -3.373 1058 H GLU 27 HN GLU 27 -2.796 -7.070 -7.665 1059 HA GLU 27 HA GLU 27 -3.535 -7.393 -5.007 1060 1HB GLU 27 HB2 GLU 27 -5.134 -8.063 -7.484 1061 2HB GLU 27 HB1 GLU 27 -5.804 -7.882 -5.869 1062 1HG GLU 27 HG2 GLU 27 -5.126 -5.550 -5.827 1063 2HG GLU 27 HG1 GLU 27 -4.397 -5.721 -7.424 1064 H LYS 28 HN LYS 28 -3.488 -9.839 -7.593 1065 HA LYS 28 HA LYS 28 -4.361 -11.969 -5.983 1066 1HB LYS 28 HB2 LYS 28 -4.457 -11.941 -8.454 1067 2HB LYS 28 HB1 LYS 28 -2.706 -12.092 -8.506 1068 1HG LYS 28 HG2 LYS 28 -2.936 -14.248 -7.266 1069 2HG LYS 28 HG1 LYS 28 -4.683 -14.105 -7.467 1070 1HD LYS 28 HD2 LYS 28 -2.813 -13.981 -9.813 1071 2HD LYS 28 HD1 LYS 28 -3.389 -15.520 -9.172 1072 1HE LYS 28 HE2 LYS 28 -5.720 -14.182 -9.369 1073 2HE LYS 28 HE1 LYS 28 -4.823 -13.433 -10.688 1074 1HZ LYS 28 HZ1 LYS 28 -4.864 -16.364 -10.449 1075 2HZ LYS 28 HZ2 LYS 28 -4.681 -15.405 -11.830 1076 3HZ LYS 28 HZ3 LYS 28 -6.202 -15.568 -11.110 1077 H VAL 29 HN VAL 29 -1.021 -11.168 -7.076 1078 HA VAL 29 HA VAL 29 0.204 -13.276 -5.660 1079 HB VAL 29 HB VAL 29 1.423 -10.637 -6.479 1080 1HG1 VAL 29 HG11 VAL 29 3.491 -11.443 -5.948 1081 2HG1 VAL 29 HG12 VAL 29 3.028 -13.124 -6.210 1082 3HG1 VAL 29 HG13 VAL 29 2.548 -12.297 -4.725 1083 1HG2 VAL 29 HG21 VAL 29 1.682 -11.408 -8.570 1084 2HG2 VAL 29 HG22 VAL 29 0.361 -12.499 -8.152 1085 3HG2 VAL 29 HG23 VAL 29 2.032 -13.050 -8.030 1086 H VAL 30 HN VAL 30 -0.299 -9.877 -4.839 1087 HA VAL 30 HA VAL 30 1.109 -10.027 -2.384 1088 HB VAL 30 HB VAL 30 -1.009 -8.016 -3.169 1089 1HG1 VAL 30 HG11 VAL 30 0.412 -6.563 -1.605 1090 2HG1 VAL 30 HG12 VAL 30 1.061 -8.087 -1.000 1091 3HG1 VAL 30 HG13 VAL 30 -0.667 -7.752 -0.874 1092 1HG2 VAL 30 HG21 VAL 30 1.922 -7.504 -3.392 1093 2HG2 VAL 30 HG22 VAL 30 0.580 -6.759 -4.259 1094 3HG2 VAL 30 HG23 VAL 30 1.098 -8.393 -4.673 1095 H LYS 31 HN LYS 31 -2.325 -10.356 -3.212 1096 HA LYS 31 HA LYS 31 -3.152 -10.549 -0.502 1097 1HB LYS 31 HB2 LYS 31 -4.699 -9.879 -2.268 1098 2HB LYS 31 HB1 LYS 31 -4.508 -11.439 -3.055 1099 1HG LYS 31 HG2 LYS 31 -5.408 -12.455 -0.905 1100 2HG LYS 31 HG1 LYS 31 -5.879 -10.812 -0.464 1101 1HD LYS 31 HD2 LYS 31 -7.151 -10.663 -2.592 1102 2HD LYS 31 HD1 LYS 31 -6.763 -12.357 -2.899 1103 1HE LYS 31 HE2 LYS 31 -7.873 -12.939 -0.756 1104 2HE LYS 31 HE1 LYS 31 -8.354 -11.251 -0.590 1105 1HZ LYS 31 HZ1 LYS 31 -9.926 -11.449 -2.179 1106 2HZ LYS 31 HZ2 LYS 31 -9.889 -13.077 -1.724 1107 3HZ LYS 31 HZ3 LYS 31 -9.044 -12.564 -3.097 1108 H GLN 32 HN GLN 32 -2.465 -12.937 -3.050 1109 HA GLN 32 HA GLN 32 -3.094 -15.217 -1.503 1110 1HB GLN 32 HB2 GLN 32 -2.907 -15.230 -3.971 1111 2HB GLN 32 HB1 GLN 32 -1.168 -15.014 -3.822 1112 1HG GLN 32 HG2 GLN 32 -1.142 -17.248 -4.000 1113 2HG GLN 32 HG1 GLN 32 -1.501 -17.186 -2.275 1114 1HE2 GLN 32 HE21 GLN 32 -2.438 -19.292 -2.561 1115 2HE2 GLN 32 HE22 GLN 32 -4.045 -19.446 -3.174 1116 H PHE 33 HN PHE 33 -0.039 -13.467 -2.051 1117 HA PHE 33 HA PHE 33 1.619 -15.272 -0.678 1118 1HB PHE 33 HB2 PHE 33 2.762 -13.820 -2.048 1119 2HB PHE 33 HB1 PHE 33 1.785 -12.438 -1.580 1120 HD1 PHE 33 HD1 PHE 33 4.074 -14.825 0.190 1121 HD2 PHE 33 HD2 PHE 33 2.928 -10.807 -0.586 1122 HE1 PHE 33 HE1 PHE 33 5.863 -14.028 1.691 1123 HE2 PHE 33 HE2 PHE 33 4.706 -9.999 0.912 1124 HZ PHE 33 HZ PHE 33 6.174 -11.599 2.059 1125 H PHE 34 HN PHE 34 -0.018 -12.332 0.409 1126 HA PHE 34 HA PHE 34 1.015 -12.586 3.068 1127 1HB PHE 34 HB2 PHE 34 -0.790 -10.647 1.686 1128 2HB PHE 34 HB1 PHE 34 -0.699 -10.647 3.447 1129 HD1 PHE 34 HD1 PHE 34 0.681 -9.241 0.549 1130 HD2 PHE 34 HD2 PHE 34 1.808 -10.722 4.374 1131 HE1 PHE 34 HE1 PHE 34 2.789 -7.958 0.438 1132 HE2 PHE 34 HE2 PHE 34 3.893 -9.447 4.273 1133 HZ PHE 34 HZ PHE 34 4.417 -8.081 2.313 1134 H ASN 35 HN ASN 35 -1.985 -13.545 1.496 1135 HA ASN 35 HA ASN 35 -3.630 -13.859 3.720 1136 1HB ASN 35 HB2 ASN 35 -3.424 -15.325 1.111 1137 2HB ASN 35 HB1 ASN 35 -4.547 -15.885 2.343 1138 1HD2 ASN 35 HD21 ASN 35 -3.933 -12.491 2.208 1139 2HD2 ASN 35 HD22 ASN 35 -5.414 -12.042 1.446 1140 H ASP 36 HN ASP 36 -0.980 -15.803 2.603 1141 HA ASP 36 HA ASP 36 -1.366 -18.151 4.052 1142 1HB ASP 36 HB2 ASP 36 1.182 -16.792 3.166 1143 2HB ASP 36 HB1 ASP 36 1.114 -18.428 3.811 1144 H ASN 37 HN ASN 37 -0.604 -15.039 5.207 1145 HA ASN 37 HA ASN 37 0.378 -16.177 7.744 1146 1HB ASN 37 HB2 ASN 37 1.496 -14.116 8.227 1147 2HB ASN 37 HB1 ASN 37 1.937 -14.618 6.599 1148 1HD2 ASN 37 HD21 ASN 37 1.700 -13.223 5.011 1149 2HD2 ASN 37 HD22 ASN 37 0.838 -11.730 5.109 1150 H GLY 38 HN GLY 38 -2.420 -14.972 6.448 1151 1HA GLY 38 HA2 GLY 38 -4.381 -14.857 7.804 1152 2HA GLY 38 HA1 GLY 38 -3.384 -14.324 9.146 1153 H VAL 39 HN VAL 39 -3.755 -13.123 5.803 1154 HA VAL 39 HA VAL 39 -4.635 -10.545 6.929 1155 HB VAL 39 HB VAL 39 -2.867 -10.876 4.486 1156 1HG1 VAL 39 HG11 VAL 39 -4.005 -8.944 3.990 1157 2HG1 VAL 39 HG12 VAL 39 -2.710 -8.278 4.984 1158 3HG1 VAL 39 HG13 VAL 39 -4.304 -8.556 5.685 1159 1HG2 VAL 39 HG21 VAL 39 -2.256 -10.570 7.307 1160 2HG2 VAL 39 HG22 VAL 39 -1.542 -9.294 6.321 1161 3HG2 VAL 39 HG23 VAL 39 -1.198 -10.985 5.959 1162 H ASP 40 HN ASP 40 -6.442 -9.641 5.911 1163 HA ASP 40 HA ASP 40 -7.291 -10.779 3.384 1164 1HB ASP 40 HB2 ASP 40 -8.985 -10.980 5.882 1165 2HB ASP 40 HB1 ASP 40 -9.528 -11.372 4.254 1166 H GLY 41 HN GLY 41 -9.701 -9.859 3.076 1167 1HA GLY 41 HA2 GLY 41 -11.032 -7.801 3.549 1168 2HA GLY 41 HA1 GLY 41 -9.497 -6.945 3.540 1169 H GLU 42 HN GLU 42 -9.988 -5.552 1.869 1170 HA GLU 42 HA GLU 42 -9.875 -6.753 -0.781 1171 1HB GLU 42 HB2 GLU 42 -12.114 -4.928 0.099 1172 2HB GLU 42 HB1 GLU 42 -11.772 -5.335 -1.576 1173 1HG GLU 42 HG2 GLU 42 -12.053 -7.767 -0.859 1174 2HG GLU 42 HG1 GLU 42 -12.772 -7.115 0.614 1175 H TRP 43 HN TRP 43 -9.300 -5.263 -2.447 1176 HA TRP 43 HA TRP 43 -7.482 -3.238 -1.559 1177 1HB TRP 43 HB2 TRP 43 -8.394 -4.116 -4.299 1178 2HB TRP 43 HB1 TRP 43 -7.222 -2.826 -4.048 1179 HD1 TRP 43 HD1 TRP 43 -7.582 -6.609 -3.931 1180 HE1 TRP 43 HE1 TRP 43 -5.251 -7.665 -3.650 1181 HE3 TRP 43 HE3 TRP 43 -4.872 -2.368 -3.028 1182 HZ2 TRP 43 HZ2 TRP 43 -2.614 -6.813 -3.116 1183 HZ3 TRP 43 HZ3 TRP 43 -2.450 -2.576 -2.642 1184 HH2 TRP 43 HH2 TRP 43 -1.346 -4.753 -2.684 1185 H THR 44 HN THR 44 -8.060 -1.303 -0.934 1186 HA THR 44 HA THR 44 -10.449 -0.090 -2.138 1187 HB THR 44 HB THR 44 -10.566 1.327 -0.147 1188 HG1 THR 44 HG1 THR 44 -8.759 1.606 0.861 1189 1HG2 THR 44 HG21 THR 44 -11.322 -1.229 -0.180 1190 2HG2 THR 44 HG22 THR 44 -11.521 -0.180 1.224 1191 3HG2 THR 44 HG23 THR 44 -10.154 -1.291 1.140 1192 H TYR 45 HN TYR 45 -10.371 1.922 -2.982 1193 HA TYR 45 HA TYR 45 -7.867 2.796 -4.028 1194 1HB TYR 45 HB2 TYR 45 -10.679 3.836 -4.169 1195 2HB TYR 45 HB1 TYR 45 -9.341 4.815 -4.763 1196 HD1 TYR 45 HD1 TYR 45 -11.521 2.018 -5.436 1197 HD2 TYR 45 HD2 TYR 45 -7.903 3.921 -6.618 1198 HE1 TYR 45 HE1 TYR 45 -11.576 0.787 -7.564 1199 HE2 TYR 45 HE2 TYR 45 -7.950 2.696 -8.751 1200 HH TYR 45 HH TYR 45 -9.646 1.588 -10.205 1201 H ASP 46 HN ASP 46 -6.611 4.534 -3.481 1202 HA ASP 46 HA ASP 46 -6.714 5.390 -0.769 1203 1HB ASP 46 HB2 ASP 46 -5.040 6.434 -3.071 1204 2HB ASP 46 HB1 ASP 46 -4.769 6.788 -1.367 1205 H ASP 47 HN ASP 47 -6.761 7.686 -0.098 1206 HA ASP 47 HA ASP 47 -9.072 9.004 -1.050 1207 1HB ASP 47 HB2 ASP 47 -6.895 9.723 0.883 1208 2HB ASP 47 HB1 ASP 47 -8.074 10.938 0.401 1209 H ALA 48 HN ALA 48 -9.370 10.535 -2.562 1210 HA ALA 48 HA ALA 48 -7.513 11.086 -4.532 1211 1HB ALA 48 HB1 ALA 48 -10.147 11.559 -4.235 1212 2HB ALA 48 HB2 ALA 48 -9.160 12.280 -5.507 1213 3HB ALA 48 HB3 ALA 48 -9.514 13.193 -4.040 1214 H THR 49 HN THR 49 -6.064 12.683 -4.939 1215 HA THR 49 HA THR 49 -5.707 14.801 -2.941 1216 HB THR 49 HB THR 49 -3.367 13.261 -4.054 1217 HG1 THR 49 HG1 THR 49 -3.748 11.745 -2.682 1218 1HG2 THR 49 HG21 THR 49 -3.163 14.418 -1.395 1219 2HG2 THR 49 HG22 THR 49 -3.424 15.615 -2.664 1220 3HG2 THR 49 HG23 THR 49 -2.057 14.506 -2.765 1221 H LYS 50 HN LYS 50 -4.688 16.688 -3.721 1222 HA LYS 50 HA LYS 50 -4.503 16.831 -6.659 1223 1HB LYS 50 HB2 LYS 50 -5.765 18.641 -4.668 1224 2HB LYS 50 HB1 LYS 50 -4.950 19.397 -6.031 1225 1HG LYS 50 HG2 LYS 50 -6.346 18.203 -7.588 1226 2HG LYS 50 HG1 LYS 50 -7.098 17.301 -6.271 1227 1HD LYS 50 HD2 LYS 50 -7.200 20.242 -6.049 1228 2HD LYS 50 HD1 LYS 50 -8.154 19.531 -7.352 1229 1HE LYS 50 HE2 LYS 50 -8.980 17.902 -5.505 1230 2HE LYS 50 HE1 LYS 50 -8.396 19.142 -4.396 1231 1HZ LYS 50 HZ1 LYS 50 -10.386 20.067 -4.682 1232 2HZ LYS 50 HZ2 LYS 50 -10.746 19.126 -6.041 1233 3HZ LYS 50 HZ3 LYS 50 -9.845 20.547 -6.212 1234 H THR 51 HN THR 51 -2.745 17.760 -7.555 1235 HA THR 51 HA THR 51 -0.704 18.853 -5.738 1236 HB THR 51 HB THR 51 -0.379 16.860 -7.998 1237 HG1 THR 51 HG1 THR 51 0.401 15.581 -6.412 1238 1HG2 THR 51 HG21 THR 51 2.045 16.958 -7.576 1239 2HG2 THR 51 HG22 THR 51 1.795 18.378 -6.560 1240 3HG2 THR 51 HG23 THR 51 1.421 18.449 -8.282 1241 H PHE 52 HN PHE 52 0.225 20.757 -6.361 1242 HA PHE 52 HA PHE 52 -0.892 22.098 -8.658 1243 1HB PHE 52 HB2 PHE 52 -0.430 23.225 -6.435 1244 2HB PHE 52 HB1 PHE 52 1.281 23.148 -6.841 1245 HD1 PHE 52 HD1 PHE 52 -1.974 24.519 -7.948 1246 HD2 PHE 52 HD2 PHE 52 2.266 24.732 -8.234 1247 HE1 PHE 52 HE1 PHE 52 -2.167 26.634 -9.191 1248 HE2 PHE 52 HE2 PHE 52 2.082 26.846 -9.477 1249 HZ PHE 52 HZ PHE 52 -0.137 27.801 -9.957 1250 H THR 53 HN THR 53 -0.071 22.096 -10.624 1251 HA THR 53 HA THR 53 2.712 21.251 -10.995 1252 HB THR 53 HB THR 53 0.509 21.530 -13.051 1253 HG1 THR 53 HG1 THR 53 0.290 19.838 -11.386 1254 1HG2 THR 53 HG21 THR 53 3.276 20.386 -13.212 1255 2HG2 THR 53 HG22 THR 53 2.542 21.633 -14.221 1256 3HG2 THR 53 HG23 THR 53 1.996 19.960 -14.348 1257 H VAL 54 HN VAL 54 4.226 22.718 -11.460 1258 HA VAL 54 HA VAL 54 3.575 25.471 -11.745 1259 HB VAL 54 HB VAL 54 6.234 24.213 -12.379 1260 1HG1 VAL 54 HG11 VAL 54 7.070 26.436 -11.585 1261 2HG1 VAL 54 HG12 VAL 54 5.394 26.986 -11.580 1262 3HG1 VAL 54 HG13 VAL 54 6.150 26.475 -13.089 1263 1HG2 VAL 54 HG21 VAL 54 4.976 24.863 -9.739 1264 2HG2 VAL 54 HG22 VAL 54 6.727 24.907 -9.942 1265 3HG2 VAL 54 HG23 VAL 54 5.843 23.408 -10.229 1266 H THR 55 HN THR 55 4.119 26.839 -13.524 1267 HA THR 55 HA THR 55 4.505 25.626 -16.124 1268 HB THR 55 HB THR 55 2.032 27.250 -15.527 1269 HG1 THR 55 HG1 THR 55 2.314 24.493 -16.118 1270 1HG2 THR 55 HG21 THR 55 1.354 26.362 -17.803 1271 2HG2 THR 55 HG22 THR 55 3.064 26.007 -18.048 1272 3HG2 THR 55 HG23 THR 55 2.539 27.668 -17.769 1273 H GLU 56 HN GLU 56 3.154 28.724 -15.055 1274 HA GLU 56 HA GLU 56 3.871 30.873 -15.280 1275 1HB GLU 56 HB2 GLU 56 6.643 29.794 -15.771 1276 2HB GLU 56 HB1 GLU 56 6.193 31.365 -15.125 1277 1HG GLU 56 HG2 GLU 56 5.604 30.480 -13.052 1278 2HG GLU 56 HG1 GLU 56 5.498 28.837 -13.682 1279 1H MET 1 HT1 MET 1 0.950 3.109 -12.198 1280 2H MET 1 HT2 MET 1 -0.221 2.090 -12.932 1281 3H MET 1 HT3 MET 1 1.059 1.409 -12.013 1282 HA MET 1 HA MET 1 -0.934 3.240 -10.893 1283 1HB MET 1 HB2 MET 1 -0.980 0.294 -11.383 1284 2HB MET 1 HB1 MET 1 -1.713 0.912 -9.912 1285 1HG MET 1 HG2 MET 1 -2.518 2.350 -12.321 1286 2HG MET 1 HG1 MET 1 -2.956 0.643 -12.324 1287 1HE MET 1 HE1 MET 1 -4.053 3.153 -8.634 1288 2HE MET 1 HE2 MET 1 -3.082 3.874 -9.917 1289 3HE MET 1 HE3 MET 1 -2.466 2.487 -9.019 1290 H GLN 2 HN GLN 2 -0.544 3.745 -8.844 1291 HA GLN 2 HA GLN 2 1.880 2.692 -7.618 1292 1HB GLN 2 HB2 GLN 2 1.242 5.186 -7.760 1293 2HB GLN 2 HB1 GLN 2 0.103 4.830 -6.469 1294 1HG GLN 2 HG2 GLN 2 1.724 4.581 -4.911 1295 2HG GLN 2 HG1 GLN 2 2.897 3.954 -6.069 1296 1HE2 GLN 2 HE21 GLN 2 1.008 6.944 -6.067 1297 2HE2 GLN 2 HE22 GLN 2 2.366 8.011 -6.114 1298 H TYR 3 HN TYR 3 1.833 1.156 -6.109 1299 HA TYR 3 HA TYR 3 -0.741 0.617 -4.808 1300 1HB TYR 3 HB2 TYR 3 1.493 -1.193 -5.638 1301 2HB TYR 3 HB1 TYR 3 0.427 -1.665 -4.318 1302 HD1 TYR 3 HD1 TYR 3 0.773 -1.338 -7.904 1303 HD2 TYR 3 HD2 TYR 3 -2.023 -1.905 -4.748 1304 HE1 TYR 3 HE1 TYR 3 -0.889 -2.145 -9.528 1305 HE2 TYR 3 HE2 TYR 3 -3.692 -2.715 -6.362 1306 HH TYR 3 HH TYR 3 -4.201 -2.649 -8.679 1307 H LYS 4 HN LYS 4 -0.962 0.755 -2.757 1308 HA LYS 4 HA LYS 4 1.377 1.416 -1.093 1309 1HB LYS 4 HB2 LYS 4 -1.464 2.272 -1.106 1310 2HB LYS 4 HB1 LYS 4 -0.720 2.081 0.474 1311 1HG LYS 4 HG2 LYS 4 1.171 3.550 -0.510 1312 2HG LYS 4 HG1 LYS 4 -0.041 3.995 -1.714 1313 1HD LYS 4 HD2 LYS 4 -1.506 4.846 -0.035 1314 2HD LYS 4 HD1 LYS 4 -0.509 4.179 1.257 1315 1HE LYS 4 HE2 LYS 4 1.202 5.754 0.891 1316 2HE LYS 4 HE1 LYS 4 0.544 6.223 -0.677 1317 1HZ LYS 4 HZ1 LYS 4 0.075 7.892 0.995 1318 2HZ LYS 4 HZ2 LYS 4 -0.713 6.751 1.963 1319 3HZ LYS 4 HZ3 LYS 4 -1.366 7.183 0.464 1320 H VAL 5 HN VAL 5 2.052 -0.017 0.376 1321 HA VAL 5 HA VAL 5 0.120 -1.861 1.564 1322 HB VAL 5 HB VAL 5 2.756 -2.853 0.484 1323 1HG1 VAL 5 HG11 VAL 5 1.609 -3.975 2.470 1324 2HG1 VAL 5 HG12 VAL 5 2.040 -4.999 1.100 1325 3HG1 VAL 5 HG13 VAL 5 0.371 -4.474 1.318 1326 1HG2 VAL 5 HG21 VAL 5 0.011 -2.924 -0.735 1327 2HG2 VAL 5 HG22 VAL 5 1.265 -4.086 -1.168 1328 3HG2 VAL 5 HG23 VAL 5 1.520 -2.364 -1.456 1329 H ILE 6 HN ILE 6 0.349 -1.873 3.675 1330 HA ILE 6 HA ILE 6 2.788 -0.796 4.854 1331 HB ILE 6 HB ILE 6 0.295 -1.599 6.344 1332 1HG1 ILE 6 HG12 ILE 6 0.919 1.154 5.269 1333 2HG1 ILE 6 HG11 ILE 6 -0.152 0.024 4.447 1334 1HG2 ILE 6 HG21 ILE 6 1.092 -0.068 8.020 1335 2HG2 ILE 6 HG22 ILE 6 2.416 0.448 6.976 1336 3HG2 ILE 6 HG23 ILE 6 2.389 -1.194 7.619 1337 1HD1 ILE 6 HD11 ILE 6 -0.977 1.896 6.183 1338 2HD1 ILE 6 HD12 ILE 6 -0.772 0.526 7.276 1339 3HD1 ILE 6 HD13 ILE 6 -1.839 0.389 5.878 1340 H LEU 7 HN LEU 7 4.343 -2.119 5.454 1341 HA LEU 7 HA LEU 7 3.645 -4.805 6.437 1342 1HB LEU 7 HB2 LEU 7 5.555 -3.929 4.368 1343 2HB LEU 7 HB1 LEU 7 6.234 -5.030 5.551 1344 HG LEU 7 HG LEU 7 3.985 -6.377 4.947 1345 1HD1 LEU 7 HD11 LEU 7 3.154 -6.034 2.872 1346 2HD1 LEU 7 HD12 LEU 7 4.701 -5.495 2.220 1347 3HD1 LEU 7 HD13 LEU 7 3.714 -4.390 3.176 1348 1HD2 LEU 7 HD21 LEU 7 6.679 -6.723 4.583 1349 2HD2 LEU 7 HD22 LEU 7 6.058 -6.832 2.936 1350 3HD2 LEU 7 HD23 LEU 7 5.436 -7.911 4.183 1351 H ASN 8 HN ASN 8 4.006 -4.761 8.601 1352 HA ASN 8 HA ASN 8 6.565 -3.847 9.584 1353 1HB ASN 8 HB2 ASN 8 4.935 -1.841 9.389 1354 2HB ASN 8 HB1 ASN 8 4.121 -2.561 10.766 1355 1HD2 ASN 8 HD21 ASN 8 4.566 -0.965 12.193 1356 2HD2 ASN 8 HD22 ASN 8 6.157 -0.605 12.764 1357 H GLY 9 HN GLY 9 6.283 -6.310 10.015 1358 1HA GLY 9 HA2 GLY 9 4.917 -7.897 11.416 1359 2HA GLY 9 HA1 GLY 9 6.439 -7.465 12.180 1360 H LYS 10 HN LYS 10 3.054 -6.442 11.938 1361 HA LYS 10 HA LYS 10 2.859 -4.603 13.906 1362 1HB LYS 10 HB2 LYS 10 0.940 -6.733 13.034 1363 2HB LYS 10 HB1 LYS 10 0.511 -5.616 14.323 1364 1HG LYS 10 HG2 LYS 10 1.340 -4.808 11.541 1365 2HG LYS 10 HG1 LYS 10 -0.323 -4.903 12.122 1366 1HD LYS 10 HD2 LYS 10 0.430 -3.278 13.959 1367 2HD LYS 10 HD1 LYS 10 1.852 -3.003 12.951 1368 1HE LYS 10 HE2 LYS 10 0.135 -2.579 11.062 1369 2HE LYS 10 HE1 LYS 10 -1.022 -2.379 12.378 1370 1HZ LYS 10 HZ1 LYS 10 0.419 -0.385 11.400 1371 2HZ LYS 10 HZ2 LYS 10 1.474 -0.901 12.617 1372 3HZ LYS 10 HZ3 LYS 10 -0.103 -0.434 13.009 1373 H THR 11 HN THR 11 3.690 -4.597 15.853 1374 HA THR 11 HA THR 11 4.220 -6.910 17.391 1375 HB THR 11 HB THR 11 4.353 -5.011 19.258 1376 HG1 THR 11 HG1 THR 11 3.441 -3.375 18.035 1377 1HG2 THR 11 HG21 THR 11 6.540 -4.332 17.652 1378 2HG2 THR 11 HG22 THR 11 6.204 -6.034 17.337 1379 3HG2 THR 11 HG23 THR 11 6.491 -5.483 18.987 1380 H LEU 12 HN LEU 12 3.247 -7.639 19.297 1381 HA LEU 12 HA LEU 12 0.956 -6.539 20.478 1382 1HB LEU 12 HB2 LEU 12 0.480 -8.084 18.080 1383 2HB LEU 12 HB1 LEU 12 -0.281 -8.845 19.464 1384 HG LEU 12 HG LEU 12 -0.733 -6.009 18.530 1385 1HD1 LEU 12 HD11 LEU 12 -1.709 -8.055 17.259 1386 2HD1 LEU 12 HD12 LEU 12 -2.756 -6.693 17.661 1387 3HD1 LEU 12 HD13 LEU 12 -2.801 -8.160 18.640 1388 1HD2 LEU 12 HD21 LEU 12 -1.178 -5.724 20.730 1389 2HD2 LEU 12 HD22 LEU 12 -1.435 -7.445 21.015 1390 3HD2 LEU 12 HD23 LEU 12 -2.709 -6.474 20.277 1391 H LYS 13 HN LYS 13 0.208 -7.793 22.250 1392 HA LYS 13 HA LYS 13 2.173 -9.402 23.455 1393 1HB LYS 13 HB2 LYS 13 -0.619 -8.610 24.099 1394 2HB LYS 13 HB1 LYS 13 0.030 -10.014 24.935 1395 1HG LYS 13 HG2 LYS 13 1.016 -8.660 26.376 1396 2HG LYS 13 HG1 LYS 13 2.016 -8.032 25.066 1397 1HD LYS 13 HD2 LYS 13 1.060 -6.062 25.575 1398 2HD LYS 13 HD1 LYS 13 -0.314 -6.685 24.657 1399 1HE LYS 13 HE2 LYS 13 0.089 -6.725 27.641 1400 2HE LYS 13 HE1 LYS 13 -1.154 -5.868 26.730 1401 1HZ LYS 13 HZ1 LYS 13 -2.036 -7.864 27.753 1402 2HZ LYS 13 HZ2 LYS 13 -0.893 -8.818 26.952 1403 3HZ LYS 13 HZ3 LYS 13 -2.081 -8.002 26.067 1404 H GLY 14 HN GLY 14 2.501 -11.554 23.496 1405 1HA GLY 14 HA2 GLY 14 0.866 -13.660 23.332 1406 2HA GLY 14 HA1 GLY 14 0.934 -13.157 21.649 1407 H GLU 15 HN GLU 15 3.726 -12.245 21.934 1408 HA GLU 15 HA GLU 15 5.861 -13.035 21.975 1409 1HB GLU 15 HB2 GLU 15 6.429 -14.782 23.271 1410 2HB GLU 15 HB1 GLU 15 4.716 -14.881 23.646 1411 1HG GLU 15 HG2 GLU 15 4.403 -16.509 21.857 1412 2HG GLU 15 HG1 GLU 15 6.109 -16.384 21.434 1413 H THR 16 HN THR 16 3.442 -14.736 20.432 1414 HA THR 16 HA THR 16 3.262 -15.985 18.542 1415 HB THR 16 HB THR 16 4.792 -13.600 17.621 1416 HG1 THR 16 HG1 THR 16 2.387 -13.766 18.861 1417 1HG2 THR 16 HG21 THR 16 2.865 -15.415 16.269 1418 2HG2 THR 16 HG22 THR 16 4.361 -14.715 15.647 1419 3HG2 THR 16 HG23 THR 16 2.919 -13.714 15.809 1420 H THR 17 HN THR 17 4.730 -16.487 16.347 1421 HA THR 17 HA THR 17 7.226 -17.604 17.439 1422 HB THR 17 HB THR 17 6.889 -19.111 15.270 1423 HG1 THR 17 HG1 THR 17 4.249 -18.391 16.012 1424 1HG2 THR 17 HG21 THR 17 6.924 -19.828 17.700 1425 2HG2 THR 17 HG22 THR 17 5.994 -20.826 16.582 1426 3HG2 THR 17 HG23 THR 17 5.166 -19.692 17.650 1427 H THR 18 HN THR 18 6.069 -17.051 14.131 1428 HA THR 18 HA THR 18 8.545 -15.538 13.616 1429 HB THR 18 HB THR 18 8.652 -16.462 11.421 1430 HG1 THR 18 HG1 THR 18 6.081 -17.499 11.982 1431 1HG2 THR 18 HG21 THR 18 9.320 -18.005 13.324 1432 2HG2 THR 18 HG22 THR 18 9.008 -18.744 11.753 1433 3HG2 THR 18 HG23 THR 18 7.794 -18.838 13.028 1434 H GLU 19 HN GLU 19 8.321 -14.133 11.613 1435 HA GLU 19 HA GLU 19 5.764 -12.703 11.793 1436 1HB GLU 19 HB2 GLU 19 8.388 -11.729 10.648 1437 2HB GLU 19 HB1 GLU 19 6.944 -10.766 10.930 1438 1HG GLU 19 HG2 GLU 19 7.246 -10.739 13.217 1439 2HG GLU 19 HG1 GLU 19 8.258 -12.182 13.203 1440 H ALA 20 HN ALA 20 5.649 -11.331 9.524 1441 HA ALA 20 HA ALA 20 6.059 -13.101 7.255 1442 1HB ALA 20 HB1 ALA 20 3.968 -13.950 7.653 1443 2HB ALA 20 HB2 ALA 20 3.542 -12.553 6.665 1444 3HB ALA 20 HB3 ALA 20 3.394 -12.469 8.420 1445 H VAL 21 HN VAL 21 4.466 -10.156 8.357 1446 HA VAL 21 HA VAL 21 5.042 -8.765 5.879 1447 HB VAL 21 HB VAL 21 3.831 -6.875 7.015 1448 1HG1 VAL 21 HG11 VAL 21 2.623 -8.335 5.533 1449 2HG1 VAL 21 HG12 VAL 21 1.613 -7.993 6.936 1450 3HG1 VAL 21 HG13 VAL 21 2.441 -9.544 6.803 1451 1HG2 VAL 21 HG21 VAL 21 2.968 -7.049 9.133 1452 2HG2 VAL 21 HG22 VAL 21 4.451 -7.984 9.325 1453 3HG2 VAL 21 HG23 VAL 21 2.913 -8.811 9.083 1454 H ASP 22 HN ASP 22 7.456 -9.175 6.574 1455 HA ASP 22 HA ASP 22 8.407 -7.032 8.348 1456 1HB ASP 22 HB2 ASP 22 9.183 -9.562 8.393 1457 2HB ASP 22 HB1 ASP 22 10.249 -9.026 7.098 1458 H ALA 23 HN ALA 23 9.838 -5.503 7.708 1459 HA ALA 23 HA ALA 23 9.557 -4.365 5.215 1460 1HB ALA 23 HB1 ALA 23 11.409 -4.079 7.488 1461 2HB ALA 23 HB2 ALA 23 10.412 -2.872 6.677 1462 3HB ALA 23 HB3 ALA 23 11.939 -3.382 5.955 1463 H ALA 24 HN ALA 24 12.168 -6.471 6.387 1464 HA ALA 24 HA ALA 24 13.661 -6.480 3.985 1465 1HB ALA 24 HB1 ALA 24 14.916 -7.155 5.798 1466 2HB ALA 24 HB2 ALA 24 14.542 -8.705 5.042 1467 3HB ALA 24 HB3 ALA 24 13.626 -8.167 6.450 1468 H THR 25 HN THR 25 10.957 -8.358 5.155 1469 HA THR 25 HA THR 25 11.090 -10.507 3.334 1470 HB THR 25 HB THR 25 8.689 -9.269 4.712 1471 HG1 THR 25 HG1 THR 25 10.424 -11.406 5.395 1472 1HG2 THR 25 HG21 THR 25 7.495 -10.583 3.364 1473 2HG2 THR 25 HG22 THR 25 8.055 -11.870 4.443 1474 3HG2 THR 25 HG23 THR 25 8.891 -11.573 2.918 1475 H PHE 26 HN PHE 26 9.536 -7.357 3.185 1476 HA PHE 26 HA PHE 26 8.155 -7.809 0.754 1477 1HB PHE 26 HB2 PHE 26 7.783 -5.931 2.495 1478 2HB PHE 26 HB1 PHE 26 9.064 -5.080 1.633 1479 HD1 PHE 26 HD1 PHE 26 6.026 -7.054 0.740 1480 HD2 PHE 26 HD2 PHE 26 8.323 -3.528 0.106 1481 HE1 PHE 26 HE1 PHE 26 4.379 -6.287 -0.917 1482 HE2 PHE 26 HE2 PHE 26 6.678 -2.754 -1.554 1483 HZ PHE 26 HZ PHE 26 4.704 -4.134 -2.068 1484 H GLU 27 HN GLU 27 11.230 -6.145 1.449 1485 HA GLU 27 HA GLU 27 11.895 -5.453 -1.161 1486 1HB GLU 27 HB2 GLU 27 13.758 -6.268 1.077 1487 2HB GLU 27 HB1 GLU 27 14.241 -5.424 -0.388 1488 1HG GLU 27 HG2 GLU 27 12.875 -3.518 0.231 1489 2HG GLU 27 HG1 GLU 27 12.321 -4.365 1.674 1490 H LYS 28 HN LYS 28 12.743 -8.418 0.619 1491 HA LYS 28 HA LYS 28 14.149 -9.625 -1.495 1492 1HB LYS 28 HB2 LYS 28 14.358 -10.268 0.885 1493 2HB LYS 28 HB1 LYS 28 12.746 -10.967 0.819 1494 1HG LYS 28 HG2 LYS 28 13.570 -12.499 -0.973 1495 2HG LYS 28 HG1 LYS 28 15.195 -11.879 -0.671 1496 1HD LYS 28 HD2 LYS 28 13.506 -13.013 1.539 1497 2HD LYS 28 HD1 LYS 28 14.497 -14.049 0.509 1498 1HE LYS 28 HE2 LYS 28 16.304 -12.162 1.168 1499 2HE LYS 28 HE1 LYS 28 15.292 -12.135 2.611 1500 1HZ LYS 28 HZ1 LYS 28 16.231 -14.712 1.546 1501 2HZ LYS 28 HZ2 LYS 28 15.829 -14.292 3.135 1502 3HZ LYS 28 HZ3 LYS 28 17.286 -13.758 2.463 1503 H VAL 29 HN VAL 29 10.786 -10.255 -0.352 1504 HA VAL 29 HA VAL 29 10.206 -12.145 -2.363 1505 HB VAL 29 HB VAL 29 8.271 -10.367 -0.874 1506 1HG1 VAL 29 HG11 VAL 29 6.532 -11.593 -1.697 1507 2HG1 VAL 29 HG12 VAL 29 7.507 -13.046 -1.910 1508 3HG1 VAL 29 HG13 VAL 29 7.627 -11.723 -3.074 1509 1HG2 VAL 29 HG21 VAL 29 8.370 -11.745 0.894 1510 2HG2 VAL 29 HG22 VAL 29 9.945 -12.195 0.239 1511 3HG2 VAL 29 HG23 VAL 29 8.528 -13.187 -0.109 1512 H VAL 30 HN VAL 30 9.580 -8.676 -2.153 1513 HA VAL 30 HA VAL 30 8.164 -8.553 -4.604 1514 HB VAL 30 HB VAL 30 9.589 -6.291 -3.190 1515 1HG1 VAL 30 HG11 VAL 30 7.722 -4.966 -4.329 1516 2HG1 VAL 30 HG12 VAL 30 7.521 -6.382 -5.362 1517 3HG1 VAL 30 HG13 VAL 30 9.060 -5.521 -5.335 1518 1HG2 VAL 30 HG21 VAL 30 6.661 -6.842 -2.950 1519 2HG2 VAL 30 HG22 VAL 30 7.727 -5.945 -1.868 1520 3HG2 VAL 30 HG23 VAL 30 7.807 -7.705 -1.924 1521 H LYS 31 HN LYS 31 11.565 -7.999 -3.767 1522 HA LYS 31 HA LYS 31 12.268 -7.153 -6.386 1523 1HB LYS 31 HB2 LYS 31 13.617 -6.560 -4.438 1524 2HB LYS 31 HB1 LYS 31 13.970 -8.257 -4.144 1525 1HG LYS 31 HG2 LYS 31 15.021 -8.274 -6.459 1526 2HG LYS 31 HG1 LYS 31 14.929 -6.513 -6.386 1527 1HD LYS 31 HD2 LYS 31 16.206 -6.588 -4.258 1528 2HD LYS 31 HD1 LYS 31 16.383 -8.331 -4.468 1529 1HE LYS 31 HE2 LYS 31 17.501 -7.898 -6.642 1530 2HE LYS 31 HE1 LYS 31 17.420 -6.171 -6.297 1531 1HZ LYS 31 HZ1 LYS 31 19.060 -6.305 -4.773 1532 2HZ LYS 31 HZ2 LYS 31 19.509 -7.662 -5.677 1533 3HZ LYS 31 HZ3 LYS 31 18.624 -7.853 -4.248 1534 H GLN 32 HN GLN 32 12.492 -10.253 -4.653 1535 HA GLN 32 HA GLN 32 13.726 -11.684 -6.755 1536 1HB GLN 32 HB2 GLN 32 13.671 -12.454 -4.402 1537 2HB GLN 32 HB1 GLN 32 11.947 -12.761 -4.564 1538 1HG GLN 32 HG2 GLN 32 12.635 -14.845 -5.026 1539 2HG GLN 32 HG1 GLN 32 12.861 -14.187 -6.646 1540 1HE2 GLN 32 HE21 GLN 32 14.426 -15.877 -6.941 1541 2HE2 GLN 32 HE22 GLN 32 16.031 -15.684 -6.333 1542 H PHE 33 HN PHE 33 10.308 -11.221 -5.860 1543 HA PHE 33 HA PHE 33 9.227 -12.978 -7.767 1544 1HB PHE 33 HB2 PHE 33 7.761 -12.412 -6.080 1545 2HB PHE 33 HB1 PHE 33 8.233 -10.720 -6.095 1546 HD1 PHE 33 HD1 PHE 33 6.705 -13.092 -8.574 1547 HD2 PHE 33 HD2 PHE 33 6.594 -9.319 -6.620 1548 HE1 PHE 33 HE1 PHE 33 4.687 -12.486 -9.861 1549 HE2 PHE 33 HE2 PHE 33 4.585 -8.704 -7.899 1550 HZ PHE 33 HZ PHE 33 3.629 -10.272 -9.528 1551 H PHE 34 HN PHE 34 9.802 -9.491 -7.885 1552 HA PHE 34 HA PHE 34 8.761 -9.275 -10.544 1553 1HB PHE 34 HB2 PHE 34 9.945 -7.352 -8.588 1554 2HB PHE 34 HB1 PHE 34 9.764 -6.876 -10.276 1555 HD1 PHE 34 HD1 PHE 34 8.167 -6.878 -7.154 1556 HD2 PHE 34 HD2 PHE 34 7.369 -7.456 -11.291 1557 HE1 PHE 34 HE1 PHE 34 5.776 -6.407 -6.768 1558 HE2 PHE 34 HE2 PHE 34 4.996 -6.983 -10.915 1559 HZ PHE 34 HZ PHE 34 4.179 -6.476 -8.663 1560 H ASN 35 HN ASN 35 11.987 -9.672 -9.202 1561 HA ASN 35 HA ASN 35 13.529 -8.793 -11.352 1562 1HB ASN 35 HB2 ASN 35 13.933 -10.934 -9.287 1563 2HB ASN 35 HB1 ASN 35 15.106 -10.737 -10.583 1564 1HD2 ASN 35 HD21 ASN 35 13.471 -7.901 -9.500 1565 2HD2 ASN 35 HD22 ASN 35 14.776 -7.243 -8.584 1566 H ASP 36 HN ASP 36 11.677 -11.702 -10.954 1567 HA ASP 36 HA ASP 36 12.695 -13.291 -13.004 1568 1HB ASP 36 HB2 ASP 36 9.902 -13.113 -11.864 1569 2HB ASP 36 HB1 ASP 36 10.442 -14.390 -12.948 1570 H ASN 37 HN ASN 37 10.944 -10.378 -13.238 1571 HA ASN 37 HA ASN 37 10.230 -10.985 -16.034 1572 1HB ASN 37 HB2 ASN 37 8.506 -9.328 -15.947 1573 2HB ASN 37 HB1 ASN 37 8.326 -10.389 -14.555 1574 1HD2 ASN 37 HD21 ASN 37 8.205 -9.507 -12.619 1575 2HD2 ASN 37 HD22 ASN 37 8.549 -7.857 -12.248 1576 H GLY 38 HN GLY 38 12.576 -9.400 -14.334 1577 1HA GLY 38 HA2 GLY 38 14.332 -8.292 -15.512 1578 2HA GLY 38 HA1 GLY 38 13.151 -7.736 -16.685 1579 H VAL 39 HN VAL 39 13.275 -7.486 -13.124 1580 HA VAL 39 HA VAL 39 13.262 -4.553 -13.428 1581 HB VAL 39 HB VAL 39 11.824 -6.100 -11.251 1582 1HG1 VAL 39 HG11 VAL 39 12.327 -4.135 -10.174 1583 2HG1 VAL 39 HG12 VAL 39 10.838 -3.654 -10.985 1584 3HG1 VAL 39 HG13 VAL 39 12.399 -3.206 -11.671 1585 1HG2 VAL 39 HG21 VAL 39 10.997 -5.213 -13.887 1586 2HG2 VAL 39 HG22 VAL 39 9.972 -4.566 -12.606 1587 3HG2 VAL 39 HG23 VAL 39 10.198 -6.308 -12.759 1588 H ASP 40 HN ASP 40 14.747 -3.450 -12.104 1589 HA ASP 40 HA ASP 40 16.045 -4.950 -9.993 1590 1HB ASP 40 HB2 ASP 40 17.575 -3.881 -12.373 1591 2HB ASP 40 HB1 ASP 40 18.305 -4.528 -10.908 1592 H GLY 41 HN GLY 41 18.064 -3.454 -9.336 1593 1HA GLY 41 HA2 GLY 41 18.664 -1.038 -9.134 1594 2HA GLY 41 HA1 GLY 41 16.942 -0.743 -8.945 1595 H GLU 42 HN GLU 42 17.073 0.204 -6.926 1596 HA GLU 42 HA GLU 42 17.467 -1.674 -4.738 1597 1HB GLU 42 HB2 GLU 42 18.976 0.932 -4.968 1598 2HB GLU 42 HB1 GLU 42 18.870 -0.024 -3.497 1599 1HG GLU 42 HG2 GLU 42 19.857 -1.931 -4.874 1600 2HG GLU 42 HG1 GLU 42 20.255 -0.693 -6.066 1601 H TRP 43 HN TRP 43 16.531 -0.985 -2.751 1602 HA TRP 43 HA TRP 43 14.137 0.541 -3.097 1603 1HB TRP 43 HB2 TRP 43 15.415 -0.747 -0.684 1604 2HB TRP 43 HB1 TRP 43 13.885 0.122 -0.610 1605 HD1 TRP 43 HD1 TRP 43 15.415 -3.153 -1.799 1606 HE1 TRP 43 HE1 TRP 43 13.524 -4.765 -2.471 1607 HE3 TRP 43 HE3 TRP 43 11.460 0.078 -1.540 1608 HZ2 TRP 43 HZ2 TRP 43 10.727 -4.679 -2.842 1609 HZ3 TRP 43 HZ3 TRP 43 9.210 -0.766 -2.069 1610 HH2 TRP 43 HH2 TRP 43 8.853 -3.096 -2.707 1611 H THR 44 HN THR 44 14.047 2.652 -3.111 1612 HA THR 44 HA THR 44 15.998 4.156 -1.511 1613 HB THR 44 HB THR 44 15.565 6.044 -3.004 1614 HG1 THR 44 HG1 THR 44 13.709 6.017 -3.961 1615 1HG2 THR 44 HG21 THR 44 17.082 3.960 -3.676 1616 2HG2 THR 44 HG22 THR 44 16.866 5.371 -4.712 1617 3HG2 THR 44 HG23 THR 44 15.923 3.910 -5.004 1618 H TYR 45 HN TYR 45 15.338 5.707 -0.123 1619 HA TYR 45 HA TYR 45 12.744 5.415 1.019 1620 1HB TYR 45 HB2 TYR 45 15.093 7.200 1.569 1621 2HB TYR 45 HB1 TYR 45 13.549 7.497 2.363 1622 HD1 TYR 45 HD1 TYR 45 16.527 5.459 2.295 1623 HD2 TYR 45 HD2 TYR 45 12.563 5.706 3.822 1624 HE1 TYR 45 HE1 TYR 45 17.076 3.754 3.980 1625 HE2 TYR 45 HE2 TYR 45 13.102 4.003 5.513 1626 HH TYR 45 HH TYR 45 15.135 3.117 6.656 1627 H ASP 46 HN ASP 46 10.981 6.752 0.945 1628 HA ASP 46 HA ASP 46 10.667 8.334 -1.401 1629 1HB ASP 46 HB2 ASP 46 8.875 8.100 1.032 1630 2HB ASP 46 HB1 ASP 46 8.417 8.815 -0.511 1631 H ASP 47 HN ASP 47 9.958 10.617 -1.382 1632 HA ASP 47 HA ASP 47 11.787 12.267 0.002 1633 1HB ASP 47 HB2 ASP 47 9.397 12.782 -1.735 1634 2HB ASP 47 HB1 ASP 47 10.160 14.117 -0.877 1635 H ALA 48 HN ALA 48 11.673 13.306 1.905 1636 HA ALA 48 HA ALA 48 9.840 12.666 3.868 1637 1HB ALA 48 HB1 ALA 48 12.177 14.004 3.829 1638 2HB ALA 48 HB2 ALA 48 11.083 13.984 5.212 1639 3HB ALA 48 HB3 ALA 48 11.057 15.341 4.086 1640 H THR 49 HN THR 49 7.982 13.532 4.645 1641 HA THR 49 HA THR 49 6.882 15.914 3.333 1642 HB THR 49 HB THR 49 5.203 13.466 3.858 1643 HG1 THR 49 HG1 THR 49 5.970 12.608 2.125 1644 1HG2 THR 49 HG21 THR 49 4.507 15.217 1.643 1645 2HG2 THR 49 HG22 THR 49 4.442 16.010 3.216 1646 3HG2 THR 49 HG23 THR 49 3.502 14.547 2.927 1647 H LYS 50 HN LYS 50 5.366 17.081 4.580 1648 HA LYS 50 HA LYS 50 5.300 16.314 7.425 1649 1HB LYS 50 HB2 LYS 50 5.828 18.917 6.091 1650 2HB LYS 50 HB1 LYS 50 4.892 18.957 7.579 1651 1HG LYS 50 HG2 LYS 50 6.672 17.868 8.784 1652 2HG LYS 50 HG1 LYS 50 7.596 17.665 7.294 1653 1HD LYS 50 HD2 LYS 50 6.761 20.423 7.935 1654 2HD LYS 50 HD1 LYS 50 7.959 19.706 9.015 1655 1HE LYS 50 HE2 LYS 50 9.152 19.022 6.812 1656 2HE LYS 50 HE1 LYS 50 8.150 20.277 6.084 1657 1HZ LYS 50 HZ1 LYS 50 9.765 21.657 6.705 1658 2HZ LYS 50 HZ2 LYS 50 10.471 20.531 7.751 1659 3HZ LYS 50 HZ3 LYS 50 9.181 21.487 8.284 1660 H THR 51 HN THR 51 3.390 16.351 8.477 1661 HA THR 51 HA THR 51 1.017 17.218 6.967 1662 HB THR 51 HB THR 51 1.446 14.670 8.548 1663 HG1 THR 51 HG1 THR 51 1.030 13.712 6.632 1664 1HG2 THR 51 HG21 THR 51 -0.902 14.115 8.062 1665 2HG2 THR 51 HG22 THR 51 -1.161 15.769 7.508 1666 3HG2 THR 51 HG23 THR 51 -0.743 15.459 9.193 1667 H PHE 52 HN PHE 52 -0.421 18.476 8.070 1668 HA PHE 52 HA PHE 52 0.335 19.383 10.700 1669 1HB PHE 52 HB2 PHE 52 -0.574 20.889 8.875 1670 2HB PHE 52 HB1 PHE 52 -2.152 20.164 9.170 1671 HD1 PHE 52 HD1 PHE 52 0.564 22.115 10.757 1672 HD2 PHE 52 HD2 PHE 52 -3.508 20.892 10.921 1673 HE1 PHE 52 HE1 PHE 52 0.155 23.734 12.564 1674 HE2 PHE 52 HE2 PHE 52 -3.926 22.508 12.727 1675 HZ PHE 52 HZ PHE 52 -2.093 23.933 13.551 1676 H THR 53 HN THR 53 -0.341 18.564 12.549 1677 HA THR 53 HA THR 53 -2.693 16.812 12.543 1678 HB THR 53 HB THR 53 -0.580 17.170 14.680 1679 HG1 THR 53 HG1 THR 53 0.065 16.180 12.610 1680 1HG2 THR 53 HG21 THR 53 -2.841 15.222 14.395 1681 2HG2 THR 53 HG22 THR 53 -2.481 16.297 15.747 1682 3HG2 THR 53 HG23 THR 53 -1.435 14.916 15.414 1683 H VAL 54 HN VAL 54 -4.564 17.532 13.345 1684 HA VAL 54 HA VAL 54 -4.795 20.146 14.434 1685 HB VAL 54 HB VAL 54 -6.886 17.986 14.573 1686 1HG1 VAL 54 HG11 VAL 54 -8.420 19.959 14.416 1687 2HG1 VAL 54 HG12 VAL 54 -7.005 20.989 14.636 1688 3HG1 VAL 54 HG13 VAL 54 -7.480 19.859 15.904 1689 1HG2 VAL 54 HG21 VAL 54 -6.038 19.727 12.287 1690 2HG2 VAL 54 HG22 VAL 54 -7.701 19.157 12.421 1691 3HG2 VAL 54 HG23 VAL 54 -6.379 17.996 12.300 1692 H THR 55 HN THR 55 -5.658 20.706 16.514 1693 HA THR 55 HA THR 55 -5.498 18.750 18.640 1694 HB THR 55 HB THR 55 -3.692 21.167 18.642 1695 HG1 THR 55 HG1 THR 55 -3.047 18.419 18.390 1696 1HG2 THR 55 HG21 THR 55 -2.642 19.915 20.584 1697 2HG2 THR 55 HG22 THR 55 -4.140 18.986 20.644 1698 3HG2 THR 55 HG23 THR 55 -4.175 20.733 20.885 1699 H GLU 56 HN GLU 56 -5.244 22.287 18.533 1700 HA GLU 56 HA GLU 56 -6.574 23.947 19.341 1701 1HB GLU 56 HB2 GLU 56 -8.838 21.958 19.403 1702 2HB GLU 56 HB1 GLU 56 -8.939 23.706 19.246 1703 1HG GLU 56 HG2 GLU 56 -8.224 23.670 17.029 1704 2HG GLU 56 HG1 GLU 56 -7.572 22.038 17.171 Start of MODEL 2 1 1H MET 1 1H MET 1 11.423 20.697 0.093 2 2H MET 1 2H MET 1 9.990 21.566 -0.276 3 3H MET 1 3H MET 1 10.354 20.112 -1.112 4 HA MET 1 HA MET 1 10.136 18.868 0.887 5 1HB MET 1 1HB MET 1 9.822 21.631 1.997 6 2HB MET 1 2HB MET 1 9.005 20.293 2.794 7 1HG MET 1 1HG MET 1 11.854 19.876 2.181 8 2HG MET 1 2HG MET 1 11.493 21.107 3.390 9 1HE MET 1 1HE MET 1 10.519 17.410 2.346 10 2HE MET 1 2HE MET 1 9.020 18.173 2.876 11 3HE MET 1 3HE MET 1 9.733 16.872 3.831 12 H GLN 2 H GLN 2 8.264 17.778 0.971 13 HA GLN 2 HA GLN 2 5.999 18.877 -0.491 14 1HB GLN 2 1HB GLN 2 6.997 16.497 -0.758 15 2HB GLN 2 2HB GLN 2 6.098 16.124 0.706 16 1HG GLN 2 1HG GLN 2 4.031 16.521 -0.331 17 2HG GLN 2 2HG GLN 2 4.785 17.336 -1.701 18 1HE2 GLN 2 1HE2 GLN 2 5.170 14.216 -0.045 19 2HE2 GLN 2 2HE2 GLN 2 5.120 13.256 -1.479 20 H TYR 3 H TYR 3 4.285 19.746 0.466 21 HA TYR 3 HA TYR 3 3.914 19.261 3.341 22 1HB TYR 3 1HB TYR 3 3.367 21.635 1.597 23 2HB TYR 3 2HB TYR 3 2.481 21.426 3.106 24 HD1 TYR 3 HD1 TYR 3 5.395 22.758 1.635 25 HD2 TYR 3 HD2 TYR 3 3.965 20.967 5.219 26 HE1 TYR 3 HE1 TYR 3 7.277 23.746 2.873 27 HE2 TYR 3 HE2 TYR 3 5.840 21.950 6.467 28 HH TYR 3 HH TYR 3 7.390 24.105 6.068 29 H LYS 4 H LYS 4 2.194 18.300 4.055 30 HA LYS 4 HA LYS 4 -0.021 17.750 2.193 31 1HB LYS 4 1HB LYS 4 1.297 16.183 4.317 32 2HB LYS 4 2HB LYS 4 -0.455 16.043 4.265 33 1HG LYS 4 1HG LYS 4 -0.051 15.634 1.715 34 2HG LYS 4 2HG LYS 4 1.575 15.207 2.253 35 1HD LYS 4 1HD LYS 4 0.521 13.624 3.886 36 2HD LYS 4 2HD LYS 4 -1.030 13.954 3.110 37 1HE LYS 4 1HE LYS 4 -0.302 13.024 1.055 38 2HE LYS 4 2HE LYS 4 1.377 12.975 1.594 39 1HZ LYS 4 1HZ LYS 4 0.399 10.786 1.679 40 2HZ LYS 4 2HZ LYS 4 -0.853 11.338 2.674 41 3HZ LYS 4 3HZ LYS 4 0.737 11.315 3.251 42 H VAL 5 H VAL 5 -1.930 18.667 2.528 43 HA VAL 5 HA VAL 5 -2.740 19.404 5.243 44 HB VAL 5 HB VAL 5 -2.968 21.357 2.951 45 1HG1 VAL 5 1HG1 VAL 5 -3.775 21.357 5.818 46 2HG1 VAL 5 2HG1 VAL 5 -4.640 21.954 4.403 47 3HG1 VAL 5 3HG1 VAL 5 -3.293 22.878 5.067 48 1HG2 VAL 5 1HG2 VAL 5 -0.923 21.160 5.148 49 2HG2 VAL 5 2HG2 VAL 5 -1.245 22.660 4.278 50 3HG2 VAL 5 3HG2 VAL 5 -0.653 21.245 3.407 51 H ILE 6 H ILE 6 -4.727 18.649 5.598 52 HA ILE 6 HA ILE 6 -6.402 17.912 3.327 53 HB ILE 6 HB ILE 6 -6.981 17.408 6.240 54 1HG1 ILE 6 1HG1 ILE 6 -5.620 15.499 4.334 55 2HG1 ILE 6 2HG1 ILE 6 -4.741 16.496 5.489 56 1HG2 ILE 6 1HG2 ILE 6 -8.350 15.573 5.347 57 2HG2 ILE 6 2HG2 ILE 6 -7.945 16.086 3.709 58 3HG2 ILE 6 3HG2 ILE 6 -8.880 17.149 4.761 59 1HD1 ILE 6 1HD1 ILE 6 -4.946 14.750 6.856 60 2HD1 ILE 6 2HD1 ILE 6 -6.237 14.030 5.893 61 3HD1 ILE 6 3HD1 ILE 6 -6.612 15.288 7.071 62 H LEU 7 H LEU 7 -7.883 19.293 2.591 63 HA LEU 7 HA LEU 7 -9.094 21.195 4.486 64 1HB LEU 7 1HB LEU 7 -8.125 21.480 1.724 65 2HB LEU 7 2HB LEU 7 -9.708 22.180 2.004 66 HG LEU 7 HG LEU 7 -8.286 23.146 4.140 67 1HD1 LEU 7 1HD1 LEU 7 -6.113 23.457 3.706 68 2HD1 LEU 7 2HD1 LEU 7 -6.398 23.790 1.997 69 3HD1 LEU 7 3HD1 LEU 7 -6.314 22.124 2.569 70 1HD2 LEU 7 1HD2 LEU 7 -8.161 25.261 2.767 71 2HD2 LEU 7 2HD2 LEU 7 -9.757 24.517 2.884 72 3HD2 LEU 7 3HD2 LEU 7 -8.799 24.322 1.416 73 H ASN 8 H ASN 8 -11.188 20.903 4.935 74 HA ASN 8 HA ASN 8 -12.999 19.851 2.934 75 1HB ASN 8 1HB ASN 8 -12.078 18.286 5.276 76 2HB ASN 8 2HB ASN 8 -13.807 18.248 4.941 77 1HD2 ASN 8 1HD2 ASN 8 -12.000 16.058 4.779 78 2HD2 ASN 8 2HD2 ASN 8 -11.990 15.515 3.138 79 H GLY 9 H GLY 9 -13.080 20.084 6.475 80 1HA GLY 9 1HA GLY 9 -14.114 21.876 7.677 81 2HA GLY 9 2HA GLY 9 -15.056 22.248 6.241 82 H LYS 10 H LYS 10 -16.994 21.236 5.900 83 HA LYS 10 HA LYS 10 -18.906 20.110 6.398 84 1HB LYS 10 1HB LYS 10 -17.335 18.157 6.204 85 2HB LYS 10 2HB LYS 10 -17.134 18.218 7.949 86 1HG LYS 10 1HG LYS 10 -19.708 18.010 8.018 87 2HG LYS 10 2HG LYS 10 -19.540 17.450 6.352 88 1HD LYS 10 1HD LYS 10 -17.738 15.861 7.354 89 2HD LYS 10 2HD LYS 10 -18.548 16.200 8.884 90 1HE LYS 10 1HE LYS 10 -20.708 15.570 7.650 91 2HE LYS 10 2HE LYS 10 -19.647 14.873 6.426 92 1HZ LYS 10 1HZ LYS 10 -20.469 13.330 8.227 93 2HZ LYS 10 2HZ LYS 10 -19.438 14.149 9.289 94 3HZ LYS 10 3HZ LYS 10 -18.799 13.331 7.954 95 H THR 11 H THR 11 -19.707 21.820 7.665 96 HA THR 11 HA THR 11 -19.143 22.274 10.362 97 HB THR 11 HB THR 11 -21.253 23.528 10.416 98 HG1 THR 11 HG1 THR 11 -22.807 23.125 9.067 99 1HG2 THR 11 1HG2 THR 11 -19.198 23.951 8.473 100 2HG2 THR 11 2HG2 THR 11 -20.155 25.131 9.370 101 3HG2 THR 11 3HG2 THR 11 -20.753 24.491 7.840 102 H LEU 12 H LEU 12 -20.851 22.061 12.136 103 HA LEU 12 HA LEU 12 -22.345 19.558 11.975 104 1HB LEU 12 1HB LEU 12 -20.203 20.168 13.996 105 2HB LEU 12 2HB LEU 12 -21.439 18.956 14.271 106 HG LEU 12 HG LEU 12 -19.419 18.921 12.027 107 1HD1 LEU 12 1HD1 LEU 12 -18.635 16.864 13.281 108 2HD1 LEU 12 2HD1 LEU 12 -19.595 17.449 14.640 109 3HD1 LEU 12 3HD1 LEU 12 -18.263 18.423 14.016 110 1HD2 LEU 12 1HD2 LEU 12 -21.125 17.738 11.091 111 2HD2 LEU 12 2HD2 LEU 12 -21.815 17.285 12.649 112 3HD2 LEU 12 3HD2 LEU 12 -20.382 16.453 12.043 113 H LYS 13 H LYS 13 -21.405 21.977 14.406 114 HA LYS 13 HA LYS 13 -24.265 22.313 15.035 115 1HB LYS 13 1HB LYS 13 -21.906 22.604 16.902 116 2HB LYS 13 2HB LYS 13 -23.588 22.872 17.332 117 1HG LYS 13 1HG LYS 13 -24.095 20.539 16.937 118 2HG LYS 13 2HG LYS 13 -22.437 20.249 16.404 119 1HD LYS 13 1HD LYS 13 -22.308 19.551 18.589 120 2HD LYS 13 2HD LYS 13 -21.845 21.245 18.762 121 1HE LYS 13 1HE LYS 13 -24.409 21.608 19.102 122 2HE LYS 13 2HE LYS 13 -24.403 19.890 19.497 123 1HZ LYS 13 1HZ LYS 13 -24.079 20.895 21.532 124 2HZ LYS 13 2HZ LYS 13 -23.089 22.116 20.909 125 3HZ LYS 13 3HZ LYS 13 -22.490 20.542 21.067 126 H GLY 14 H GLY 14 -24.901 24.154 14.088 127 1HA GLY 14 1HA GLY 14 -25.077 26.529 14.270 128 2HA GLY 14 2HA GLY 14 -23.379 26.588 14.716 129 H GLU 15 H GLU 15 -22.683 28.018 13.195 130 HA GLU 15 HA GLU 15 -22.285 26.988 10.541 131 1HB GLU 15 1HB GLU 15 -23.335 28.929 9.398 132 2HB GLU 15 2HB GLU 15 -24.498 27.892 10.212 133 1HG GLU 15 1HG GLU 15 -24.952 29.452 11.844 134 2HG GLU 15 2HG GLU 15 -23.416 30.288 11.620 135 H THR 16 H THR 16 -21.055 28.620 9.178 136 HA THR 16 HA THR 16 -19.563 30.572 10.754 137 HB THR 16 HB THR 16 -18.160 28.458 9.110 138 HG1 THR 16 HG1 THR 16 -18.694 27.326 10.837 139 1HG2 THR 16 1HG2 THR 16 -17.104 30.792 9.592 140 2HG2 THR 16 2HG2 THR 16 -16.154 29.320 9.784 141 3HG2 THR 16 3HG2 THR 16 -16.844 30.115 11.199 142 H THR 17 H THR 17 -19.899 29.039 7.566 143 HA THR 17 HA THR 17 -20.094 29.901 5.475 144 HB THR 17 HB THR 17 -20.299 32.716 6.392 145 HG1 THR 17 HG1 THR 17 -22.318 30.808 6.954 146 1HG2 THR 17 1HG2 THR 17 -22.582 31.969 5.007 147 2HG2 THR 17 2HG2 THR 17 -21.267 31.104 4.212 148 3HG2 THR 17 3HG2 THR 17 -21.197 32.859 4.376 149 H THR 18 H THR 18 -18.498 32.579 7.215 150 HA THR 18 HA THR 18 -16.588 32.942 5.131 151 HB THR 18 HB THR 18 -15.488 34.419 6.982 152 HG1 THR 18 HG1 THR 18 -16.483 33.761 8.796 153 1HG2 THR 18 1HG2 THR 18 -16.545 36.138 6.061 154 2HG2 THR 18 2HG2 THR 18 -18.123 35.564 6.604 155 3HG2 THR 18 3HG2 THR 18 -17.426 34.945 5.107 156 H GLU 19 H GLU 19 -14.986 31.579 4.744 157 HA GLU 19 HA GLU 19 -13.207 30.195 5.019 158 1HB GLU 19 1HB GLU 19 -13.095 31.898 7.466 159 2HB GLU 19 2HB GLU 19 -12.049 30.487 7.383 160 1HG GLU 19 1HG GLU 19 -11.086 31.318 5.300 161 2HG GLU 19 2HG GLU 19 -12.135 32.733 5.381 162 H ALA 20 H ALA 20 -14.063 28.185 4.980 163 HA ALA 20 HA ALA 20 -14.559 26.916 7.582 164 1HB ALA 20 1HB ALA 20 -16.287 26.391 5.172 165 2HB ALA 20 2HB ALA 20 -16.720 27.520 6.456 166 3HB ALA 20 3HB ALA 20 -16.521 25.805 6.819 167 H VAL 21 H VAL 21 -12.254 26.902 5.804 168 HA VAL 21 HA VAL 21 -10.741 25.473 4.879 169 HB VAL 21 HB VAL 21 -12.220 23.285 6.337 170 1HG1 VAL 21 1HG1 VAL 21 -10.209 22.102 6.315 171 2HG1 VAL 21 2HG1 VAL 21 -9.259 23.540 5.941 172 3HG1 VAL 21 3HG1 VAL 21 -10.290 22.818 4.705 173 1HG2 VAL 21 1HG2 VAL 21 -10.357 25.395 7.389 174 2HG2 VAL 21 2HG2 VAL 21 -10.572 23.844 8.203 175 3HG2 VAL 21 3HG2 VAL 21 -11.946 24.928 7.994 176 H ASP 22 H ASP 22 -12.116 26.033 2.904 177 HA ASP 22 HA ASP 22 -13.426 23.658 1.766 178 1HB ASP 22 1HB ASP 22 -13.610 26.596 1.230 179 2HB ASP 22 2HB ASP 22 -14.010 25.461 -0.056 180 H ALA 23 H ALA 23 -12.857 22.800 -0.169 181 HA ALA 23 HA ALA 23 -10.202 22.586 -0.845 182 1HB ALA 23 1HB ALA 23 -12.598 21.506 -1.699 183 2HB ALA 23 2HB ALA 23 -10.987 21.055 -2.261 184 3HB ALA 23 3HB ALA 23 -11.929 22.254 -3.151 185 H ALA 24 H ALA 24 -12.639 24.775 -2.190 186 HA ALA 24 HA ALA 24 -10.973 25.920 -4.179 187 1HB ALA 24 1HB ALA 24 -13.245 26.196 -4.576 188 2HB ALA 24 2HB ALA 24 -12.740 27.798 -4.037 189 3HB ALA 24 3HB ALA 24 -13.572 26.715 -2.923 190 H THR 25 H THR 25 -11.503 26.573 -0.795 191 HA THR 25 HA THR 25 -10.463 29.177 -0.653 192 HB THR 25 HB THR 25 -10.545 26.950 1.391 193 HG1 THR 25 HG1 THR 25 -12.137 29.275 1.086 194 1HG2 THR 25 1HG2 THR 25 -10.545 29.217 2.863 195 2HG2 THR 25 2HG2 THR 25 -9.372 29.620 1.610 196 3HG2 THR 25 3HG2 THR 25 -9.137 28.182 2.608 197 H PHE 26 H PHE 26 -8.935 26.020 -0.576 198 HA PHE 26 HA PHE 26 -6.325 26.954 0.077 199 1HB PHE 26 1HB PHE 26 -7.169 24.557 0.285 200 2HB PHE 26 2HB PHE 26 -6.926 24.426 -1.455 201 HD1 PHE 26 HD1 PHE 26 -5.061 25.592 1.559 202 HD2 PHE 26 HD2 PHE 26 -4.933 23.539 -2.166 203 HE1 PHE 26 HE1 PHE 26 -2.686 25.071 1.933 204 HE2 PHE 26 HE2 PHE 26 -2.557 23.011 -1.798 205 HZ PHE 26 HZ PHE 26 -1.431 23.778 0.254 206 H GLU 27 H GLU 27 -7.805 25.936 -2.994 207 HA GLU 27 HA GLU 27 -5.687 26.389 -4.695 208 1HB GLU 27 1HB GLU 27 -8.635 26.799 -5.205 209 2HB GLU 27 2HB GLU 27 -7.410 26.757 -6.466 210 1HG GLU 27 1HG GLU 27 -7.056 24.503 -6.243 211 2HG GLU 27 2HG GLU 27 -7.612 24.472 -4.569 212 H LYS 28 H LYS 28 -8.272 28.731 -3.925 213 HA LYS 28 HA LYS 28 -7.150 30.838 -5.404 214 1HB LYS 28 1HB LYS 28 -9.537 30.585 -4.542 215 2HB LYS 28 2HB LYS 28 -8.934 31.196 -3.007 216 1HG LYS 28 1HG LYS 28 -8.054 33.184 -4.368 217 2HG LYS 28 2HG LYS 28 -9.132 32.606 -5.640 218 1HD LYS 28 1HD LYS 28 -10.794 32.561 -3.498 219 2HD LYS 28 2HD LYS 28 -9.753 33.927 -3.086 220 1HE LYS 28 1HE LYS 28 -10.914 33.714 -5.831 221 2HE LYS 28 2HE LYS 28 -11.911 34.305 -4.502 222 1HZ LYS 28 1HZ LYS 28 -10.187 35.989 -4.068 223 2HZ LYS 28 2HZ LYS 28 -10.878 36.147 -5.604 224 3HZ LYS 28 3HZ LYS 28 -9.341 35.462 -5.435 225 H VAL 29 H VAL 29 -7.063 30.262 -1.862 226 HA VAL 29 HA VAL 29 -5.529 32.535 -1.258 227 HB VAL 29 HB VAL 29 -5.689 29.939 0.273 228 1HG1 VAL 29 1HG1 VAL 29 -5.044 31.292 2.212 229 2HG1 VAL 29 2HG1 VAL 29 -4.849 32.696 1.164 230 3HG1 VAL 29 3HG1 VAL 29 -3.790 31.298 0.971 231 1HG2 VAL 29 1HG2 VAL 29 -7.642 30.616 1.188 232 2HG2 VAL 29 2HG2 VAL 29 -7.784 31.508 -0.327 233 3HG2 VAL 29 3HG2 VAL 29 -7.205 32.323 1.127 234 H VAL 30 H VAL 30 -4.552 29.210 -1.997 235 HA VAL 30 HA VAL 30 -1.801 29.643 -1.416 236 HB VAL 30 HB VAL 30 -3.044 27.481 -3.124 237 1HG1 VAL 30 1HG1 VAL 30 -0.293 27.776 -1.930 238 2HG1 VAL 30 2HG1 VAL 30 -0.718 27.592 -3.632 239 3HG1 VAL 30 3HG1 VAL 30 -0.939 26.244 -2.517 240 1HG2 VAL 30 1HG2 VAL 30 -3.361 26.224 -1.237 241 2HG2 VAL 30 2HG2 VAL 30 -3.632 27.836 -0.574 242 3HG2 VAL 30 3HG2 VAL 30 -2.076 27.039 -0.346 243 H LYS 31 H LYS 31 -3.634 29.645 -4.495 244 HA LYS 31 HA LYS 31 -1.381 30.064 -6.134 245 1HB LYS 31 1HB LYS 31 -3.627 29.322 -6.936 246 2HB LYS 31 2HB LYS 31 -4.229 30.948 -6.642 247 1HG LYS 31 1HG LYS 31 -2.748 31.853 -8.308 248 2HG LYS 31 2HG LYS 31 -1.986 30.278 -8.536 249 1HD LYS 31 1HD LYS 31 -3.864 29.387 -9.593 250 2HD LYS 31 2HD LYS 31 -4.935 30.630 -8.944 251 1HE LYS 31 1HE LYS 31 -3.302 32.195 -10.353 252 2HE LYS 31 2HE LYS 31 -3.117 30.710 -11.287 253 1HZ LYS 31 1HZ LYS 31 -5.723 30.743 -11.129 254 2HZ LYS 31 2HZ LYS 31 -4.908 31.621 -12.323 255 3HZ LYS 31 3HZ LYS 31 -5.477 32.406 -10.937 256 H GLN 32 H GLN 32 -3.671 32.301 -4.616 257 HA GLN 32 HA GLN 32 -2.602 34.668 -5.707 258 1HB GLN 32 1HB GLN 32 -4.839 34.439 -4.594 259 2HB GLN 32 2HB GLN 32 -4.005 34.379 -3.047 260 1HG GLN 32 1HG GLN 32 -4.526 36.587 -3.121 261 2HG GLN 32 2HG GLN 32 -2.950 36.628 -3.910 262 1HE2 GLN 32 1HE2 GLN 32 -6.415 36.631 -4.457 263 2HE2 GLN 32 2HE2 GLN 32 -6.361 37.386 -6.009 264 H PHE 33 H PHE 33 -1.944 32.981 -2.625 265 HA PHE 33 HA PHE 33 -0.088 34.882 -1.685 266 1HB PHE 33 1HB PHE 33 -1.015 33.643 -0.003 267 2HB PHE 33 2HB PHE 33 -0.973 32.148 -0.921 268 HD1 PHE 33 HD1 PHE 33 1.604 34.573 0.361 269 HD2 PHE 33 HD2 PHE 33 0.261 30.548 0.031 270 HE1 PHE 33 HE1 PHE 33 3.555 33.813 1.668 271 HE2 PHE 33 HE2 PHE 33 2.208 29.781 1.320 272 HZ PHE 33 HZ PHE 33 3.861 31.406 2.137 273 H PHE 34 H PHE 34 0.375 31.766 -3.359 274 HA PHE 34 HA PHE 34 3.220 32.049 -3.304 275 1HB PHE 34 1HB PHE 34 1.345 30.068 -4.513 276 2HB PHE 34 2HB PHE 34 3.034 30.094 -5.028 277 HD1 PHE 34 HD1 PHE 34 0.785 29.622 -2.144 278 HD2 PHE 34 HD2 PHE 34 4.778 29.371 -3.597 279 HE1 PHE 34 HE1 PHE 34 1.450 28.417 -0.103 280 HE2 PHE 34 HE2 PHE 34 5.448 28.160 -1.565 281 HZ PHE 34 HZ PHE 34 3.787 27.692 0.192 282 H ASN 35 H ASN 35 0.741 32.883 -5.662 283 HA ASN 35 HA ASN 35 2.373 33.219 -7.905 284 1HB ASN 35 1HB ASN 35 -0.189 34.504 -7.028 285 2HB ASN 35 2HB ASN 35 0.648 35.127 -8.445 286 1HD2 ASN 35 1HD2 ASN 35 0.744 31.738 -7.587 287 2HD2 ASN 35 2HD2 ASN 35 -0.246 31.189 -8.888 288 H ASP 36 H ASP 36 1.985 35.204 -5.077 289 HA ASP 36 HA ASP 36 3.101 37.602 -6.002 290 1HB ASP 36 1HB ASP 36 2.908 36.375 -3.258 291 2HB ASP 36 2HB ASP 36 3.650 37.950 -3.524 292 H ASN 37 H ASN 37 4.587 34.599 -5.395 293 HA ASN 37 HA ASN 37 7.236 35.869 -5.203 294 1HB ASN 37 1HB ASN 37 8.100 33.786 -4.335 295 2HB ASN 37 2HB ASN 37 6.688 34.270 -3.404 296 1HD2 ASN 37 1HD2 ASN 37 5.357 32.699 -2.949 297 2HD2 ASN 37 2HD2 ASN 37 5.098 31.271 -3.884 298 H GLY 38 H GLY 38 5.239 34.053 -7.345 299 1HA GLY 38 1HA GLY 38 6.150 34.316 -9.687 300 2HA GLY 38 2HA GLY 38 7.597 33.552 -9.056 301 H VAL 39 H VAL 39 4.670 32.282 -7.794 302 HA VAL 39 HA VAL 39 5.111 29.829 -9.302 303 HB VAL 39 HB VAL 39 3.068 30.311 -7.131 304 1HG1 VAL 39 1HG1 VAL 39 2.611 28.367 -8.524 305 2HG1 VAL 39 2HG1 VAL 39 3.118 27.867 -6.911 306 3HG1 VAL 39 3HG1 VAL 39 4.251 27.774 -8.260 307 1HG2 VAL 39 1HG2 VAL 39 5.972 29.832 -7.003 308 2HG2 VAL 39 2HG2 VAL 39 4.980 28.837 -5.935 309 3HG2 VAL 39 3HG2 VAL 39 4.893 30.595 -5.835 310 H ASP 40 H ASP 40 3.625 28.875 -10.680 311 HA ASP 40 HA ASP 40 1.040 30.085 -11.113 312 1HB ASP 40 1HB ASP 40 3.279 30.356 -13.104 313 2HB ASP 40 2HB ASP 40 1.597 30.348 -13.625 314 H GLY 41 H GLY 41 0.153 29.019 -13.326 315 1HA GLY 41 1HA GLY 41 0.298 26.924 -14.629 316 2HA GLY 41 2HA GLY 41 0.779 26.136 -13.133 317 H GLU 42 H GLU 42 -0.894 24.659 -13.058 318 HA GLU 42 HA GLU 42 -3.452 25.754 -12.212 319 1HB GLU 42 1HB GLU 42 -3.183 23.867 -14.556 320 2HB GLU 42 2HB GLU 42 -4.702 24.229 -13.747 321 1HG GLU 42 1HG GLU 42 -4.118 26.691 -14.283 322 2HG GLU 42 2HG GLU 42 -3.009 25.991 -15.462 323 H TRP 43 H TRP 43 -4.815 24.199 -11.149 324 HA TRP 43 HA TRP 43 -3.316 22.356 -9.569 325 1HB TRP 43 1HB TRP 43 -6.250 23.020 -9.726 326 2HB TRP 43 2HB TRP 43 -5.618 21.788 -8.638 327 HD1 TRP 43 HD1 TRP 43 -6.009 25.516 -9.000 328 HE1 TRP 43 HE1 TRP 43 -5.084 26.686 -6.901 329 HE3 TRP 43 HE3 TRP 43 -3.704 21.522 -6.791 330 HZ2 TRP 43 HZ2 TRP 43 -3.578 26.006 -4.614 331 HZ3 TRP 43 HZ3 TRP 43 -2.543 21.867 -4.649 332 HH2 TRP 43 HH2 TRP 43 -2.482 24.064 -3.584 333 H THR 44 H THR 44 -2.783 20.387 -10.059 334 HA THR 44 HA THR 44 -4.447 18.899 -11.976 335 HB THR 44 HB THR 44 -2.428 17.646 -12.573 336 HG1 THR 44 HG1 THR 44 -0.579 17.904 -11.549 337 1HG2 THR 44 1HG2 THR 44 -2.963 19.997 -13.564 338 2HG2 THR 44 2HG2 THR 44 -1.428 19.201 -13.917 339 3HG2 THR 44 3HG2 THR 44 -1.503 20.469 -12.694 340 H TYR 45 H TYR 45 -5.057 16.856 -11.503 341 HA TYR 45 HA TYR 45 -5.214 16.123 -8.753 342 1HB TYR 45 1HB TYR 45 -6.090 14.843 -11.320 343 2HB TYR 45 2HB TYR 45 -6.150 13.932 -9.815 344 HD1 TYR 45 HD1 TYR 45 -7.717 16.505 -11.817 345 HD2 TYR 45 HD2 TYR 45 -7.588 14.746 -7.946 346 HE1 TYR 45 HE1 TYR 45 -9.889 17.529 -11.285 347 HE2 TYR 45 HE2 TYR 45 -9.759 15.764 -7.404 348 HH TYR 45 HH TYR 45 -11.871 16.797 -9.456 349 H ASP 46 H ASP 46 -4.214 14.464 -7.647 350 HA ASP 46 HA ASP 46 -1.565 13.805 -8.484 351 1HB ASP 46 1HB ASP 46 -3.275 13.077 -6.123 352 2HB ASP 46 2HB ASP 46 -1.744 12.252 -6.396 353 H ASP 47 H ASP 47 -0.725 11.593 -8.618 354 HA ASP 47 HA ASP 47 -2.168 10.030 -10.479 355 1HB ASP 47 1HB ASP 47 0.381 10.175 -10.120 356 2HB ASP 47 2HB ASP 47 0.136 8.988 -8.842 357 H ALA 48 H ALA 48 -3.629 8.469 -10.197 358 HA ALA 48 HA ALA 48 -4.851 7.933 -7.777 359 1HB ALA 48 1HB ALA 48 -5.746 7.505 -10.093 360 2HB ALA 48 2HB ALA 48 -6.089 6.257 -8.894 361 3HB ALA 48 3HB ALA 48 -4.813 6.008 -10.086 362 H THR 49 H THR 49 -4.751 6.339 -6.266 363 HA THR 49 HA THR 49 -2.639 4.316 -6.485 364 HB THR 49 HB THR 49 -3.076 5.990 -4.005 365 HG1 THR 49 HG1 THR 49 -1.916 7.395 -5.032 366 1HG2 THR 49 1HG2 THR 49 -1.011 5.042 -3.211 367 2HG2 THR 49 2HG2 THR 49 -0.837 4.104 -4.694 368 3HG2 THR 49 3HG2 THR 49 -2.157 3.754 -3.579 369 H LYS 50 H LYS 50 -2.946 2.486 -5.043 370 HA LYS 50 HA LYS 50 -5.703 2.251 -4.036 371 1HB LYS 50 1HB LYS 50 -4.136 0.246 -5.657 372 2HB LYS 50 2HB LYS 50 -5.586 -0.174 -4.753 373 1HG LYS 50 1HG LYS 50 -6.788 1.602 -6.069 374 2HG LYS 50 2HG LYS 50 -5.348 1.707 -7.084 375 1HD LYS 50 1HD LYS 50 -6.601 -0.957 -6.587 376 2HD LYS 50 2HD LYS 50 -7.336 0.141 -7.757 377 1HE LYS 50 1HE LYS 50 -5.404 0.163 -9.104 378 2HE LYS 50 2HE LYS 50 -4.415 -0.557 -7.835 379 1HZ LYS 50 1HZ LYS 50 -5.361 -2.636 -8.171 380 2HZ LYS 50 2HZ LYS 50 -5.185 -2.040 -9.744 381 3HZ LYS 50 3HZ LYS 50 -6.703 -2.018 -8.997 382 H THR 51 H THR 51 -5.791 1.779 -1.963 383 HA THR 51 HA THR 51 -3.456 0.531 -0.681 384 HB THR 51 HB THR 51 -5.611 2.360 0.385 385 HG1 THR 51 HG1 THR 51 -3.809 3.666 0.835 386 1HG2 THR 51 1HG2 THR 51 -4.328 2.300 2.533 387 2HG2 THR 51 2HG2 THR 51 -3.527 0.847 1.935 388 3HG2 THR 51 3HG2 THR 51 -5.273 0.854 2.181 389 H PHE 52 H PHE 52 -3.652 -1.381 0.368 390 HA PHE 52 HA PHE 52 -6.104 -2.866 0.025 391 1HB PHE 52 1HB PHE 52 -3.872 -3.903 -0.334 392 2HB PHE 52 2HB PHE 52 -3.533 -3.706 1.382 393 HD1 PHE 52 HD1 PHE 52 -5.540 -5.518 -1.098 394 HD2 PHE 52 HD2 PHE 52 -4.520 -5.147 3.018 395 HE1 PHE 52 HE1 PHE 52 -6.599 -7.692 -0.643 396 HE2 PHE 52 HE2 PHE 52 -5.577 -7.321 3.479 397 HZ PHE 52 HZ PHE 52 -6.618 -8.596 1.648 398 H THR 53 H THR 53 -7.724 -2.762 1.442 399 HA THR 53 HA THR 53 -7.198 -1.903 4.176 400 HB THR 53 HB THR 53 -9.818 -2.482 2.777 401 HG1 THR 53 HG1 THR 53 -9.958 -0.186 2.750 402 1HG2 THR 53 1HG2 THR 53 -10.367 -2.633 5.020 403 2HG2 THR 53 2HG2 THR 53 -10.674 -0.939 4.639 404 3HG2 THR 53 3HG2 THR 53 -9.200 -1.398 5.492 405 H VAL 54 H VAL 54 -6.985 -3.278 5.823 406 HA VAL 54 HA VAL 54 -7.186 -6.092 5.428 407 HB VAL 54 HB VAL 54 -7.007 -4.768 8.122 408 1HG1 VAL 54 1HG1 VAL 54 -6.317 -7.436 6.976 409 2HG1 VAL 54 2HG1 VAL 54 -7.188 -7.041 8.457 410 3HG1 VAL 54 3HG1 VAL 54 -5.438 -6.833 8.381 411 1HG2 VAL 54 1HG2 VAL 54 -5.282 -3.631 7.103 412 2HG2 VAL 54 2HG2 VAL 54 -4.945 -4.941 5.971 413 3HG2 VAL 54 3HG2 VAL 54 -4.452 -5.085 7.658 414 H THR 55 H THR 55 -8.523 -7.565 6.623 415 HA THR 55 HA THR 55 -10.944 -6.503 7.830 416 HB THR 55 HB THR 55 -11.062 -8.396 5.480 417 HG1 THR 55 HG1 THR 55 -11.594 -5.630 5.700 418 1HG2 THR 55 1HG2 THR 55 -13.203 -7.161 7.176 419 2HG2 THR 55 2HG2 THR 55 -12.927 -8.867 6.826 420 3HG2 THR 55 3HG2 THR 55 -13.508 -7.789 5.556 421 H GLU 56 H GLU 56 -9.882 -9.623 6.510 422 HA GLU 56 HA GLU 56 -9.664 -11.686 7.444 423 1HB GLU 56 1HB GLU 56 -9.152 -10.122 9.980 424 2HB GLU 56 2HB GLU 56 -8.753 -11.814 9.713 425 1HG GLU 56 1HG GLU 56 -7.088 -11.269 8.127 426 2HG GLU 56 2HG GLU 56 -7.626 -9.591 8.038 427 1H MET 1 1H MET 1 -11.350 16.818 1.340 428 2H MET 1 2H MET 1 -10.221 17.908 2.034 429 3H MET 1 3H MET 1 -10.115 16.228 2.371 430 HA MET 1 HA MET 1 -9.594 15.761 0.124 431 1HB MET 1 1HB MET 1 -10.212 18.678 -0.132 432 2HB MET 1 2HB MET 1 -9.050 17.954 -1.237 433 1HG MET 1 1HG MET 1 -11.589 16.500 -0.916 434 2HG MET 1 2HG MET 1 -11.695 18.077 -1.695 435 1HE MET 1 1HE MET 1 -9.564 14.748 -1.709 436 2HE MET 1 2HE MET 1 -8.394 16.048 -1.945 437 3HE MET 1 3HE MET 1 -8.728 14.915 -3.253 438 H GLN 2 H GLN 2 -7.480 15.380 -0.181 439 HA GLN 2 HA GLN 2 -5.605 16.663 1.641 440 1HB GLN 2 1HB GLN 2 -5.801 14.118 1.164 441 2HB GLN 2 2HB GLN 2 -4.894 14.482 -0.298 442 1HG GLN 2 1HG GLN 2 -3.012 15.185 0.912 443 2HG GLN 2 2HG GLN 2 -3.922 15.295 2.418 444 1HE2 GLN 2 1HE2 GLN 2 -3.383 12.826 -0.079 445 2HE2 GLN 2 2HE2 GLN 2 -2.976 11.558 1.022 446 H TYR 3 H TYR 3 -4.294 18.258 1.054 447 HA TYR 3 HA TYR 3 -3.927 18.757 -1.819 448 1HB TYR 3 1HB TYR 3 -4.066 20.580 0.554 449 2HB TYR 3 2HB TYR 3 -3.231 21.099 -0.909 450 HD1 TYR 3 HD1 TYR 3 -6.340 20.984 0.746 451 HD2 TYR 3 HD2 TYR 3 -4.599 20.815 -3.132 452 HE1 TYR 3 HE1 TYR 3 -8.492 21.645 -0.243 453 HE2 TYR 3 HE2 TYR 3 -6.745 21.477 -4.132 454 HH TYR 3 HH TYR 3 -8.866 22.840 -3.204 455 H LYS 4 H LYS 4 -2.029 18.629 -2.698 456 HA LYS 4 HA LYS 4 0.332 18.285 -0.971 457 1HB LYS 4 1HB LYS 4 -0.531 17.068 -3.515 458 2HB LYS 4 2HB LYS 4 1.178 17.469 -3.423 459 1HG LYS 4 1HG LYS 4 1.045 16.237 -1.124 460 2HG LYS 4 2HG LYS 4 -0.396 15.504 -1.832 461 1HD LYS 4 1HD LYS 4 1.006 14.857 -3.803 462 2HD LYS 4 2HD LYS 4 2.420 15.421 -2.907 463 1HE LYS 4 1HE LYS 4 2.119 13.772 -1.226 464 2HE LYS 4 2HE LYS 4 0.520 13.346 -1.839 465 1HZ LYS 4 1HZ LYS 4 2.148 11.704 -2.489 466 2HZ LYS 4 2HZ LYS 4 3.101 12.885 -3.234 467 3HZ LYS 4 3HZ LYS 4 1.575 12.512 -3.861 468 H VAL 5 H VAL 5 1.839 19.808 -0.938 469 HA VAL 5 HA VAL 5 2.255 21.504 -3.288 470 HB VAL 5 HB VAL 5 1.968 22.696 -0.529 471 1HG1 VAL 5 1HG1 VAL 5 2.582 23.763 -3.244 472 2HG1 VAL 5 2HG1 VAL 5 3.304 24.164 -1.686 473 3HG1 VAL 5 3HG1 VAL 5 1.703 24.778 -2.100 474 1HG2 VAL 5 1HG2 VAL 5 -0.017 22.502 -2.781 475 2HG2 VAL 5 2HG2 VAL 5 -0.139 23.711 -1.503 476 3HG2 VAL 5 3HG2 VAL 5 -0.215 21.994 -1.104 477 H ILE 6 H ILE 6 4.358 21.542 -3.749 478 HA ILE 6 HA ILE 6 6.284 20.745 -1.709 479 HB ILE 6 HB ILE 6 6.850 21.307 -4.615 480 1HG1 ILE 6 1HG1 ILE 6 6.245 18.605 -3.402 481 2HG1 ILE 6 2HG1 ILE 6 5.047 19.565 -4.263 482 1HG2 ILE 6 1HG2 ILE 6 8.767 19.820 -4.228 483 2HG2 ILE 6 2HG2 ILE 6 8.301 19.682 -2.532 484 3HG2 ILE 6 3HG2 ILE 6 8.803 21.241 -3.185 485 1HD1 ILE 6 1HD1 ILE 6 5.722 18.458 -6.070 486 2HD1 ILE 6 2HD1 ILE 6 7.200 17.902 -5.286 487 3HD1 ILE 6 3HD1 ILE 6 7.142 19.503 -6.026 488 H LEU 7 H LEU 7 7.292 22.245 -0.540 489 HA LEU 7 HA LEU 7 7.763 24.888 -1.753 490 1HB LEU 7 1HB LEU 7 6.879 24.059 0.927 491 2HB LEU 7 2HB LEU 7 8.150 25.268 0.932 492 HG LEU 7 HG LEU 7 6.398 26.301 -0.909 493 1HD1 LEU 7 1HD1 LEU 7 4.260 25.782 -0.502 494 2HD1 LEU 7 2HD1 LEU 7 4.508 25.694 1.242 495 3HD1 LEU 7 3HD1 LEU 7 4.921 24.316 0.220 496 1HD2 LEU 7 1HD2 LEU 7 5.688 27.798 0.993 497 2HD2 LEU 7 2HD2 LEU 7 7.428 27.650 0.747 498 3HD2 LEU 7 3HD2 LEU 7 6.645 26.764 2.055 499 H ASN 8 H ASN 8 9.812 25.408 -2.158 500 HA ASN 8 HA ASN 8 11.956 24.460 -0.462 501 1HB ASN 8 1HB ASN 8 11.474 23.427 -3.201 502 2HB ASN 8 2HB ASN 8 13.138 23.839 -2.797 503 1HD2 ASN 8 1HD2 ASN 8 12.127 21.243 -3.371 504 2HD2 ASN 8 2HD2 ASN 8 12.355 20.274 -1.958 505 H GLY 9 H GLY 9 11.466 25.873 -3.684 506 1HA GLY 9 1HA GLY 9 11.790 28.219 -4.104 507 2HA GLY 9 2HA GLY 9 12.938 28.254 -2.774 508 H LYS 10 H LYS 10 12.452 27.548 -6.134 509 HA LYS 10 HA LYS 10 14.955 26.359 -6.676 510 1HB LYS 10 1HB LYS 10 14.494 26.959 -9.029 511 2HB LYS 10 2HB LYS 10 13.123 26.174 -8.253 512 1HG LYS 10 1HG LYS 10 11.816 27.996 -8.417 513 2HG LYS 10 2HG LYS 10 13.149 29.111 -8.119 514 1HD LYS 10 1HD LYS 10 12.711 29.574 -10.322 515 2HD LYS 10 2HD LYS 10 13.923 28.302 -10.502 516 1HE LYS 10 1HE LYS 10 12.121 26.648 -10.755 517 2HE LYS 10 2HE LYS 10 10.930 27.942 -10.620 518 1HZ LYS 10 1HZ LYS 10 11.460 28.770 -12.676 519 2HZ LYS 10 2HZ LYS 10 11.693 27.116 -12.942 520 3HZ LYS 10 3HZ LYS 10 13.024 28.124 -12.674 521 H THR 11 H THR 11 16.672 27.372 -8.020 522 HA THR 11 HA THR 11 17.173 30.128 -7.109 523 HB THR 11 HB THR 11 19.361 28.290 -8.009 524 HG1 THR 11 HG1 THR 11 19.481 27.381 -6.015 525 1HG2 THR 11 1HG2 THR 11 19.150 30.761 -6.423 526 2HG2 THR 11 2HG2 THR 11 20.422 30.208 -7.510 527 3HG2 THR 11 3HG2 THR 11 20.323 29.566 -5.870 528 H LEU 12 H LEU 12 18.666 31.376 -8.572 529 HA LEU 12 HA LEU 12 19.092 32.364 -10.574 530 1HB LEU 12 1HB LEU 12 18.564 29.697 -11.864 531 2HB LEU 12 2HB LEU 12 19.581 30.998 -12.455 532 HG LEU 12 HG LEU 12 20.217 29.526 -9.910 533 1HD1 LEU 12 1HD1 LEU 12 20.025 28.169 -12.198 534 2HD1 LEU 12 2HD1 LEU 12 21.274 27.842 -10.996 535 3HD1 LEU 12 3HD1 LEU 12 21.645 28.834 -12.407 536 1HD2 LEU 12 1HD2 LEU 12 22.489 30.324 -10.412 537 2HD2 LEU 12 2HD2 LEU 12 21.342 31.650 -10.222 538 3HD2 LEU 12 3HD2 LEU 12 21.867 31.161 -11.834 539 H LYS 13 H LYS 13 18.019 33.391 -12.256 540 HA LYS 13 HA LYS 13 16.231 34.256 -13.362 541 1HB LYS 13 1HB LYS 13 15.172 31.428 -13.212 542 2HB LYS 13 2HB LYS 13 14.609 32.688 -14.304 543 1HG LYS 13 1HG LYS 13 16.853 32.746 -15.335 544 2HG LYS 13 2HG LYS 13 17.331 31.402 -14.294 545 1HD LYS 13 1HD LYS 13 15.864 29.913 -15.347 546 2HD LYS 13 2HD LYS 13 14.927 31.218 -16.081 547 1HE LYS 13 1HE LYS 13 17.813 30.771 -16.771 548 2HE LYS 13 2HE LYS 13 16.524 29.885 -17.583 549 1HZ LYS 13 1HZ LYS 13 15.760 31.756 -18.614 550 2HZ LYS 13 2HZ LYS 13 17.407 32.134 -18.534 551 3HZ LYS 13 3HZ LYS 13 16.331 32.807 -17.417 552 H GLY 14 H GLY 14 15.398 35.650 -11.855 553 1HA GLY 14 1HA GLY 14 12.889 35.738 -11.066 554 2HA GLY 14 2HA GLY 14 13.512 34.610 -9.873 555 H GLU 15 H GLU 15 12.901 36.132 -8.247 556 HA GLU 15 HA GLU 15 14.375 38.647 -8.166 557 1HB GLU 15 1HB GLU 15 12.350 37.546 -6.209 558 2HB GLU 15 2HB GLU 15 12.988 39.185 -6.238 559 1HG GLU 15 1HG GLU 15 11.864 39.688 -8.255 560 2HG GLU 15 2HG GLU 15 11.458 37.993 -8.531 561 H THR 16 H THR 16 15.878 39.179 -6.606 562 HA THR 16 HA THR 16 17.146 36.904 -5.291 563 HB THR 16 HB THR 16 18.107 39.762 -5.519 564 HG1 THR 16 HG1 THR 16 19.382 38.964 -7.213 565 1HG2 THR 16 1HG2 THR 16 20.070 39.174 -4.600 566 2HG2 THR 16 2HG2 THR 16 20.010 37.536 -5.251 567 3HG2 THR 16 3HG2 THR 16 19.082 37.946 -3.808 568 H THR 17 H THR 17 15.455 36.682 -3.688 569 HA THR 17 HA THR 17 15.860 38.532 -1.442 570 HB THR 17 HB THR 17 13.424 38.257 -0.887 571 HG1 THR 17 HG1 THR 17 12.074 37.408 -2.390 572 1HG2 THR 17 1HG2 THR 17 12.888 40.131 -1.966 573 2HG2 THR 17 2HG2 THR 17 13.249 39.440 -3.548 574 3HG2 THR 17 3HG2 THR 17 14.551 40.087 -2.551 575 H THR 18 H THR 18 14.638 37.472 0.571 576 HA THR 18 HA THR 18 15.874 34.852 0.874 577 HB THR 18 HB THR 18 15.347 35.161 3.285 578 HG1 THR 18 HG1 THR 18 13.516 36.472 3.083 579 1HG2 THR 18 1HG2 THR 18 17.274 36.208 3.510 580 2HG2 THR 18 2HG2 THR 18 16.550 37.726 2.980 581 3HG2 THR 18 3HG2 THR 18 17.231 36.612 1.794 582 H GLU 19 H GLU 19 12.698 36.375 1.025 583 HA GLU 19 HA GLU 19 11.366 33.926 1.760 584 1HB GLU 19 1HB GLU 19 9.286 35.296 1.343 585 2HB GLU 19 2HB GLU 19 10.373 35.928 2.573 586 1HG GLU 19 1HG GLU 19 10.873 37.773 1.382 587 2HG GLU 19 2HG GLU 19 10.798 36.929 -0.165 588 H ALA 20 H ALA 20 11.875 32.470 0.107 589 HA ALA 20 HA ALA 20 10.336 32.887 -2.350 590 1HB ALA 20 1HB ALA 20 13.270 32.382 -2.176 591 2HB ALA 20 2HB ALA 20 12.370 33.447 -3.257 592 3HB ALA 20 3HB ALA 20 12.356 31.703 -3.523 593 H VAL 21 H VAL 21 8.887 31.420 -1.251 594 HA VAL 21 HA VAL 21 7.954 29.385 -0.842 595 HB VAL 21 HB VAL 21 9.973 28.285 -2.792 596 1HG1 VAL 21 1HG1 VAL 21 8.441 26.575 -3.198 597 2HG1 VAL 21 2HG1 VAL 21 7.104 27.473 -2.477 598 3HG1 VAL 21 3HG1 VAL 21 8.366 26.794 -1.449 599 1HG2 VAL 21 1HG2 VAL 21 7.503 29.922 -3.280 600 2HG2 VAL 21 2HG2 VAL 21 8.131 28.803 -4.491 601 3HG2 VAL 21 3HG2 VAL 21 9.125 30.149 -3.935 602 H ASP 22 H ASP 22 9.185 29.765 1.275 603 HA ASP 22 HA ASP 22 11.228 27.700 1.738 604 1HB ASP 22 1HB ASP 22 10.513 30.264 3.107 605 2HB ASP 22 2HB ASP 22 11.314 28.992 4.026 606 H ALA 23 H ALA 23 11.052 26.192 3.323 607 HA ALA 23 HA ALA 23 8.631 24.975 3.787 608 1HB ALA 23 1HB ALA 23 11.281 24.499 4.400 609 2HB ALA 23 2HB ALA 23 9.919 23.428 4.744 610 3HB ALA 23 3HB ALA 23 10.488 24.557 5.976 611 H ALA 24 H ALA 24 10.325 27.333 5.815 612 HA ALA 24 HA ALA 24 8.482 27.280 7.969 613 1HB ALA 24 1HB ALA 24 10.566 28.127 8.539 614 2HB ALA 24 2HB ALA 24 9.566 29.577 8.450 615 3HB ALA 24 3HB ALA 24 10.644 29.166 7.116 616 H THR 25 H THR 25 8.620 29.008 4.944 617 HA THR 25 HA THR 25 6.813 31.083 5.508 618 HB THR 25 HB THR 25 7.490 29.677 2.917 619 HG1 THR 25 HG1 THR 25 8.293 32.184 3.970 620 1HG2 THR 25 1HG2 THR 25 6.712 32.149 2.155 621 2HG2 THR 25 2HG2 THR 25 5.532 31.792 3.417 622 3HG2 THR 25 3HG2 THR 25 5.710 30.699 2.041 623 H PHE 26 H PHE 26 6.344 27.767 4.457 624 HA PHE 26 HA PHE 26 3.546 27.985 3.980 625 1HB PHE 26 1HB PHE 26 5.085 26.138 3.131 626 2HB PHE 26 2HB PHE 26 4.978 25.443 4.747 627 HD1 PHE 26 HD1 PHE 26 2.702 26.779 2.108 628 HD2 PHE 26 HD2 PHE 26 3.396 23.815 5.082 629 HE1 PHE 26 HE1 PHE 26 0.594 25.672 1.490 630 HE2 PHE 26 HE2 PHE 26 1.290 22.700 4.467 631 HZ PHE 26 HZ PHE 26 -0.114 23.629 2.669 632 H GLU 27 H GLU 27 5.413 26.645 6.695 633 HA GLU 27 HA GLU 27 3.341 25.905 8.353 634 1HB GLU 27 1HB GLU 27 6.033 27.051 9.105 635 2HB GLU 27 2HB GLU 27 4.943 26.258 10.233 636 1HG GLU 27 1HG GLU 27 5.305 24.177 9.335 637 2HG GLU 27 2HG GLU 27 5.776 24.819 7.762 638 H LYS 28 H LYS 28 5.030 29.053 8.408 639 HA LYS 28 HA LYS 28 3.380 30.190 10.376 640 1HB LYS 28 1HB LYS 28 5.684 30.948 9.578 641 2HB LYS 28 2HB LYS 28 4.843 31.758 8.264 642 1HG LYS 28 1HG LYS 28 3.465 32.892 10.105 643 2HG LYS 28 2HG LYS 28 4.734 32.335 11.200 644 1HD LYS 28 1HD LYS 28 6.219 33.427 9.217 645 2HD LYS 28 2HD LYS 28 4.786 34.457 9.160 646 1HE LYS 28 1HE LYS 28 6.071 33.848 11.787 647 2HE LYS 28 2HE LYS 28 6.785 35.064 10.729 648 1HZ LYS 28 1HZ LYS 28 4.607 36.188 10.695 649 2HZ LYS 28 2HZ LYS 28 5.281 36.118 12.244 650 3HZ LYS 28 3HZ LYS 28 4.024 35.068 11.821 651 H VAL 29 H VAL 29 3.307 30.656 6.817 652 HA VAL 29 HA VAL 29 1.115 32.410 6.819 653 HB VAL 29 HB VAL 29 2.004 30.545 4.618 654 1HG1 VAL 29 1HG1 VAL 29 0.880 32.132 3.121 655 2HG1 VAL 29 2HG1 VAL 29 0.298 33.032 4.521 656 3HG1 VAL 29 3HG1 VAL 29 -0.253 31.377 4.245 657 1HG2 VAL 29 1HG2 VAL 29 3.604 32.029 4.030 658 2HG2 VAL 29 2HG2 VAL 29 3.527 32.455 5.739 659 3HG2 VAL 29 3HG2 VAL 29 2.656 33.422 4.549 660 H VAL 30 H VAL 30 1.259 28.881 6.529 661 HA VAL 30 HA VAL 30 -1.513 28.581 5.970 662 HB VAL 30 HB VAL 30 0.423 26.522 7.040 663 1HG1 VAL 30 1HG1 VAL 30 -2.342 26.274 5.871 664 2HG1 VAL 30 2HG1 VAL 30 -1.786 25.742 7.457 665 3HG1 VAL 30 3HG1 VAL 30 -1.221 24.919 6.002 666 1HG2 VAL 30 1HG2 VAL 30 1.022 26.023 4.888 667 2HG2 VAL 30 2HG2 VAL 30 0.743 27.757 4.728 668 3HG2 VAL 30 3HG2 VAL 30 -0.497 26.613 4.213 669 H LYS 31 H LYS 31 0.371 28.274 9.003 670 HA LYS 31 HA LYS 31 -1.820 27.481 10.587 671 1HB LYS 31 1HB LYS 31 0.582 27.282 11.243 672 2HB LYS 31 2HB LYS 31 0.629 29.027 11.458 673 1HG LYS 31 1HG LYS 31 -0.984 28.900 13.241 674 2HG LYS 31 2HG LYS 31 -1.190 27.167 12.973 675 1HD LYS 31 1HD LYS 31 0.928 26.664 13.813 676 2HD LYS 31 2HD LYS 31 1.505 28.318 13.606 677 1HE LYS 31 1HE LYS 31 -0.463 28.802 15.326 678 2HE LYS 31 2HE LYS 31 -0.135 27.128 15.775 679 1HZ LYS 31 1HZ LYS 31 2.321 28.010 15.773 680 2HZ LYS 31 2HZ LYS 31 1.324 28.205 17.125 681 3HZ LYS 31 3HZ LYS 31 1.562 29.496 16.057 682 H GLN 32 H GLN 32 -0.418 30.657 9.880 683 HA GLN 32 HA GLN 32 -2.119 32.154 11.553 684 1HB GLN 32 1HB GLN 32 0.025 32.961 10.523 685 2HB GLN 32 2HB GLN 32 -0.827 33.097 8.989 686 1HG GLN 32 1HG GLN 32 -1.015 35.236 9.725 687 2HG GLN 32 2HG GLN 32 -2.482 34.554 10.427 688 1HE2 GLN 32 1HE2 GLN 32 0.839 35.472 11.092 689 2HE2 GLN 32 2HE2 GLN 32 0.636 35.692 12.793 690 H PHE 33 H PHE 33 -2.362 31.302 8.088 691 HA PHE 33 HA PHE 33 -4.761 32.716 7.647 692 1HB PHE 33 1HB PHE 33 -3.574 32.363 5.726 693 2HB PHE 33 2HB PHE 33 -3.104 30.733 6.174 694 HD1 PHE 33 HD1 PHE 33 -6.368 32.491 5.522 695 HD2 PHE 33 HD2 PHE 33 -3.821 29.171 4.747 696 HE1 PHE 33 HE1 PHE 33 -8.043 31.568 3.963 697 HE2 PHE 33 HE2 PHE 33 -5.490 28.238 3.203 698 HZ PHE 33 HZ PHE 33 -7.604 29.427 2.809 699 H PHE 34 H PHE 34 -4.149 29.269 8.335 700 HA PHE 34 HA PHE 34 -6.939 28.655 8.233 701 1HB PHE 34 1HB PHE 34 -4.486 27.098 8.908 702 2HB PHE 34 2HB PHE 34 -6.071 26.447 9.331 703 HD1 PHE 34 HD1 PHE 34 -3.928 27.545 6.539 704 HD2 PHE 34 HD2 PHE 34 -7.570 25.659 7.675 705 HE1 PHE 34 HE1 PHE 34 -4.282 26.830 4.210 706 HE2 PHE 34 HE2 PHE 34 -7.926 24.933 5.352 707 HZ PHE 34 HZ PHE 34 -6.288 25.529 3.613 708 H ASN 35 H ASN 35 -4.735 29.507 10.843 709 HA ASN 35 HA ASN 35 -6.282 28.661 13.010 710 1HB ASN 35 1HB ASN 35 -4.294 30.877 12.658 711 2HB ASN 35 2HB ASN 35 -5.216 30.772 14.154 712 1HD2 ASN 35 1HD2 ASN 35 -4.290 27.919 12.358 713 2HD2 ASN 35 2HD2 ASN 35 -3.115 27.359 13.491 714 H ASP 36 H ASP 36 -6.666 31.388 10.890 715 HA ASP 36 HA ASP 36 -8.432 32.948 12.408 716 1HB ASP 36 1HB ASP 36 -7.998 32.680 9.439 717 2HB ASP 36 2HB ASP 36 -9.177 33.802 10.112 718 H ASN 37 H ASN 37 -8.933 29.936 10.899 719 HA ASN 37 HA ASN 37 -11.851 30.315 10.958 720 1HB ASN 37 1HB ASN 37 -12.062 28.404 9.492 721 2HB ASN 37 2HB ASN 37 -10.919 29.553 8.802 722 1HD2 ASN 37 1HD2 ASN 37 -9.181 28.684 7.983 723 2HD2 ASN 37 2HD2 ASN 37 -8.444 27.201 8.478 724 H GLY 38 H GLY 38 -9.287 28.686 12.583 725 1HA GLY 38 1HA GLY 38 -10.119 27.966 14.855 726 2HA GLY 38 2HA GLY 38 -11.286 27.005 13.968 727 H VAL 39 H VAL 39 -8.172 27.128 12.531 728 HA VAL 39 HA VAL 39 -7.757 24.335 13.246 729 HB VAL 39 HB VAL 39 -6.072 26.034 11.403 730 1HG1 VAL 39 1HG1 VAL 39 -4.966 24.014 12.202 731 2HG1 VAL 39 2HG1 VAL 39 -5.362 23.871 10.489 732 3HG1 VAL 39 3HG1 VAL 39 -6.348 23.042 11.694 733 1HG2 VAL 39 1HG2 VAL 39 -8.685 24.735 11.010 734 2HG2 VAL 39 2HG2 VAL 39 -7.487 24.436 9.751 735 3HG2 VAL 39 3HG2 VAL 39 -7.949 26.090 10.154 736 H ASP 40 H ASP 40 -5.984 23.538 14.360 737 HA ASP 40 HA ASP 40 -3.884 25.311 15.238 738 1HB ASP 40 1HB ASP 40 -5.997 24.297 17.124 739 2HB ASP 40 2HB ASP 40 -4.372 24.667 17.693 740 H GLY 41 H GLY 41 -2.598 23.998 17.081 741 1HA GLY 41 1HA GLY 41 -2.029 21.677 17.731 742 2HA GLY 41 2HA GLY 41 -2.309 21.240 16.052 743 H GLU 42 H GLU 42 -0.267 20.445 15.635 744 HA GLU 42 HA GLU 42 1.779 22.476 15.258 745 1HB GLU 42 1HB GLU 42 2.228 20.011 16.944 746 2HB GLU 42 2HB GLU 42 3.514 21.048 16.347 747 1HG GLU 42 1HG GLU 42 2.223 22.939 17.544 748 2HG GLU 42 2HG GLU 42 1.433 21.622 18.410 749 H TRP 43 H TRP 43 3.507 21.799 13.859 750 HA TRP 43 HA TRP 43 2.584 20.116 11.747 751 1HB TRP 43 1HB TRP 43 5.169 21.589 12.225 752 2HB TRP 43 2HB TRP 43 4.902 20.588 10.800 753 HD1 TRP 43 HD1 TRP 43 4.124 23.982 12.235 754 HE1 TRP 43 HE1 TRP 43 2.783 25.354 10.520 755 HE3 TRP 43 HE3 TRP 43 3.082 20.279 8.868 756 HZ2 TRP 43 HZ2 TRP 43 1.457 24.924 8.065 757 HZ3 TRP 43 HZ3 TRP 43 1.771 20.842 6.864 758 HH2 TRP 43 HH2 TRP 43 0.976 23.117 6.472 759 H THR 44 H THR 44 2.711 18.024 11.632 760 HA THR 44 HA THR 44 4.847 16.646 13.114 761 HB THR 44 HB THR 44 3.349 14.709 13.229 762 HG1 THR 44 HG1 THR 44 1.461 14.667 12.244 763 1HG2 THR 44 1HG2 THR 44 3.181 16.708 14.888 764 2HG2 THR 44 2HG2 THR 44 1.976 15.420 14.917 765 3HG2 THR 44 3HG2 THR 44 1.611 16.952 14.123 766 H TYR 45 H TYR 45 6.040 15.122 12.104 767 HA TYR 45 HA TYR 45 6.289 15.295 9.270 768 1HB TYR 45 1HB TYR 45 7.639 13.670 11.400 769 2HB TYR 45 2HB TYR 45 7.909 13.296 9.702 770 HD1 TYR 45 HD1 TYR 45 8.693 15.534 12.432 771 HD2 TYR 45 HD2 TYR 45 8.931 15.023 8.215 772 HE1 TYR 45 HE1 TYR 45 10.413 17.289 12.321 773 HE2 TYR 45 HE2 TYR 45 10.651 16.775 8.092 774 HH TYR 45 HH TYR 45 12.436 17.769 10.447 775 H ASP 46 H ASP 46 5.804 13.796 7.689 776 HA ASP 46 HA ASP 46 3.534 12.136 8.179 777 1HB ASP 46 1HB ASP 46 5.269 12.684 5.789 778 2HB ASP 46 2HB ASP 46 4.089 11.379 5.745 779 H ASP 47 H ASP 47 3.429 9.833 7.634 780 HA ASP 47 HA ASP 47 5.370 8.331 9.035 781 1HB ASP 47 1HB ASP 47 2.890 7.770 8.613 782 2HB ASP 47 2HB ASP 47 3.431 7.143 7.059 783 H ALA 48 H ALA 48 7.233 7.463 8.388 784 HA ALA 48 HA ALA 48 8.445 8.050 5.976 785 1HB ALA 48 1HB ALA 48 9.537 7.281 8.113 786 2HB ALA 48 2HB ALA 48 10.198 6.603 6.626 787 3HB ALA 48 3HB ALA 48 9.122 5.635 7.634 788 H THR 49 H THR 49 8.782 7.001 4.069 789 HA THR 49 HA THR 49 7.422 4.446 3.603 790 HB THR 49 HB THR 49 7.188 6.811 1.733 791 HG1 THR 49 HG1 THR 49 5.687 7.412 3.058 792 1HG2 THR 49 1HG2 THR 49 5.505 5.531 0.590 793 2HG2 THR 49 2HG2 THR 49 5.694 4.201 1.731 794 3HG2 THR 49 3HG2 THR 49 7.013 4.619 0.637 795 H LYS 50 H LYS 50 8.214 3.296 1.711 796 HA LYS 50 HA LYS 50 10.853 4.236 0.803 797 1HB LYS 50 1HB LYS 50 10.074 1.466 1.709 798 2HB LYS 50 2HB LYS 50 11.533 1.796 0.786 799 1HG LYS 50 1HG LYS 50 12.186 3.406 2.608 800 2HG LYS 50 2HG LYS 50 10.840 2.757 3.548 801 1HD LYS 50 1HD LYS 50 12.832 0.880 2.357 802 2HD LYS 50 2HD LYS 50 13.254 1.773 3.820 803 1HE LYS 50 1HE LYS 50 11.490 0.805 5.043 804 2HE LYS 50 2HE LYS 50 10.703 0.204 3.584 805 1HZ LYS 50 1HZ LYS 50 12.283 -1.471 3.338 806 2HZ LYS 50 2HZ LYS 50 11.986 -1.451 5.003 807 3HZ LYS 50 3HZ LYS 50 13.389 -0.735 4.385 808 H THR 51 H THR 51 10.985 4.428 -1.311 809 HA THR 51 HA THR 51 9.098 2.937 -3.004 810 HB THR 51 HB THR 51 10.524 5.571 -3.398 811 HG1 THR 51 HG1 THR 51 8.385 6.320 -3.543 812 1HG2 THR 51 1HG2 THR 51 9.213 5.728 -5.531 813 2HG2 THR 51 2HG2 THR 51 8.957 3.986 -5.414 814 3HG2 THR 51 3HG2 THR 51 10.592 4.630 -5.565 815 H PHE 52 H PHE 52 9.831 1.566 -4.547 816 HA PHE 52 HA PHE 52 12.637 0.889 -4.530 817 1HB PHE 52 1HB PHE 52 10.861 -0.851 -4.584 818 2HB PHE 52 2HB PHE 52 10.399 -0.290 -6.188 819 HD1 PHE 52 HD1 PHE 52 12.990 -2.003 -4.233 820 HD2 PHE 52 HD2 PHE 52 11.706 -0.828 -8.117 821 HE1 PHE 52 HE1 PHE 52 14.654 -3.513 -5.236 822 HE2 PHE 52 HE2 PHE 52 13.367 -2.336 -9.127 823 HZ PHE 52 HZ PHE 52 14.844 -3.681 -7.686 824 H THR 53 H THR 53 14.075 1.892 -5.783 825 HA THR 53 HA THR 53 13.176 3.288 -8.176 826 HB THR 53 HB THR 53 15.911 3.181 -6.884 827 HG1 THR 53 HG1 THR 53 15.329 5.296 -6.191 828 1HG2 THR 53 1HG2 THR 53 16.378 3.864 -9.042 829 2HG2 THR 53 2HG2 THR 53 16.142 5.386 -8.183 830 3HG2 THR 53 3HG2 THR 53 14.856 4.740 -9.203 831 H VAL 54 H VAL 54 13.326 2.452 -10.157 832 HA VAL 54 HA VAL 54 14.411 -0.150 -10.576 833 HB VAL 54 HB VAL 54 13.701 1.767 -12.783 834 1HG1 VAL 54 1HG1 VAL 54 13.929 -1.195 -12.486 835 2HG1 VAL 54 2HG1 VAL 54 14.571 -0.140 -13.744 836 3HG1 VAL 54 3HG1 VAL 54 12.848 -0.514 -13.703 837 1HG2 VAL 54 1HG2 VAL 54 11.757 1.964 -11.564 838 2HG2 VAL 54 2HG2 VAL 54 11.903 0.350 -10.869 839 3HG2 VAL 54 3HG2 VAL 54 11.399 0.545 -12.548 840 H THR 55 H THR 55 16.081 -0.724 -12.084 841 HA THR 55 HA THR 55 17.993 1.336 -12.821 842 HB THR 55 HB THR 55 18.803 -1.015 -11.107 843 HG1 THR 55 HG1 THR 55 18.440 1.720 -10.502 844 1HG2 THR 55 1HG2 THR 55 20.370 1.250 -12.288 845 2HG2 THR 55 2HG2 THR 55 20.661 -0.484 -12.434 846 3HG2 THR 55 3HG2 THR 55 20.930 0.329 -10.892 847 H GLU 56 H GLU 56 18.013 -2.200 -12.498 848 HA GLU 56 HA GLU 56 18.407 -3.872 -13.989 849 1HB GLU 56 1HB GLU 56 17.311 -1.892 -15.994 850 2HB GLU 56 2HB GLU 56 17.474 -3.626 -16.240 851 1HG GLU 56 1HG GLU 56 15.800 -4.105 -14.643 852 2HG GLU 56 2HG GLU 56 15.791 -2.443 -14.052 853 1H MET 1 1H MET 1 6.053 -0.249 9.103 854 2H MET 1 2H MET 1 5.283 -1.201 7.899 855 3H MET 1 3H MET 1 4.533 0.232 8.473 856 HA MET 1 HA MET 1 6.251 1.556 7.559 857 1HB MET 1 1HB MET 1 7.415 -1.153 7.040 858 2HB MET 1 2HB MET 1 7.810 0.168 5.948 859 1HG MET 1 1HG MET 1 8.091 0.760 8.815 860 2HG MET 1 2HG MET 1 9.210 -0.435 8.162 861 1HE MET 1 1HE MET 1 7.670 3.134 7.375 862 2HE MET 1 2HE MET 1 7.739 2.284 5.832 863 3HE MET 1 3HE MET 1 8.787 3.673 6.121 864 H GLN 2 H GLN 2 5.668 2.519 5.704 865 HA GLN 2 HA GLN 2 3.655 1.190 4.073 866 1HB GLN 2 1HB GLN 2 3.543 3.617 4.982 867 2HB GLN 2 2HB GLN 2 4.630 4.001 3.652 868 1HG GLN 2 1HG GLN 2 3.038 3.411 2.034 869 2HG GLN 2 2HG GLN 2 2.027 2.580 3.216 870 1HE2 GLN 2 1HE2 GLN 2 3.496 5.800 2.906 871 2HE2 GLN 2 2HE2 GLN 2 2.053 6.680 3.261 872 H TYR 3 H TYR 3 4.091 0.252 2.190 873 HA TYR 3 HA TYR 3 6.666 0.860 0.910 874 1HB TYR 3 1HB TYR 3 5.018 -1.637 1.060 875 2HB TYR 3 2HB TYR 3 6.156 -1.411 -0.264 876 HD1 TYR 3 HD1 TYR 3 5.767 -2.617 3.023 877 HD2 TYR 3 HD2 TYR 3 8.587 -0.729 0.457 878 HE1 TYR 3 HE1 TYR 3 7.598 -3.402 4.466 879 HE2 TYR 3 HE2 TYR 3 10.424 -1.510 1.891 880 HH TYR 3 HH TYR 3 10.680 -3.582 3.593 881 H LYS 4 H LYS 4 6.742 1.729 -0.994 882 HA LYS 4 HA LYS 4 4.251 2.024 -2.538 883 1HB LYS 4 1HB LYS 4 6.563 3.785 -2.035 884 2HB LYS 4 2HB LYS 4 5.962 3.798 -3.688 885 1HG LYS 4 1HG LYS 4 3.641 4.111 -2.533 886 2HG LYS 4 2HG LYS 4 4.619 4.670 -1.176 887 1HD LYS 4 1HD LYS 4 5.739 6.262 -2.751 888 2HD LYS 4 2HD LYS 4 4.560 5.787 -3.976 889 1HE LYS 4 1HE LYS 4 2.755 6.645 -2.692 890 2HE LYS 4 2HE LYS 4 3.781 6.858 -1.273 891 1HZ LYS 4 1HZ LYS 4 3.388 8.962 -2.357 892 2HZ LYS 4 2HZ LYS 4 3.992 8.368 -3.821 893 3HZ LYS 4 3HZ LYS 4 5.024 8.552 -2.495 894 H VAL 5 H VAL 5 4.043 0.990 -4.405 895 HA VAL 5 HA VAL 5 6.420 0.343 -5.987 896 HB VAL 5 HB VAL 5 4.321 -1.743 -5.385 897 1HG1 VAL 5 1HG1 VAL 5 6.788 -1.644 -7.053 898 2HG1 VAL 5 2HG1 VAL 5 5.222 -2.377 -7.397 899 3HG1 VAL 5 3HG1 VAL 5 6.339 -3.165 -6.283 900 1HG2 VAL 5 1HG2 VAL 5 7.032 -1.298 -4.157 901 2HG2 VAL 5 2HG2 VAL 5 6.192 -2.848 -4.095 902 3HG2 VAL 5 3HG2 VAL 5 5.474 -1.425 -3.341 903 H ILE 6 H ILE 6 6.089 0.971 -8.022 904 HA ILE 6 HA ILE 6 3.365 1.468 -8.935 905 HB ILE 6 HB ILE 6 5.912 2.079 -10.423 906 1HG1 ILE 6 1HG1 ILE 6 4.388 3.978 -8.633 907 2HG1 ILE 6 2HG1 ILE 6 5.831 3.112 -8.114 908 1HG2 ILE 6 1HG2 ILE 6 4.522 3.749 -11.553 909 2HG2 ILE 6 2HG2 ILE 6 3.128 3.215 -10.613 910 3HG2 ILE 6 3HG2 ILE 6 3.888 2.117 -11.763 911 1HD1 ILE 6 1HD1 ILE 6 6.931 4.910 -8.829 912 2HD1 ILE 6 2HD1 ILE 6 5.565 5.480 -9.788 913 3HD1 ILE 6 3HD1 ILE 6 6.658 4.263 -10.447 914 H LEU 7 H LEU 7 2.308 -0.052 -10.036 915 HA LEU 7 HA LEU 7 3.867 -1.933 -11.682 916 1HB LEU 7 1HB LEU 7 1.572 -2.296 -9.880 917 2HB LEU 7 2HB LEU 7 1.393 -3.087 -11.434 918 HG LEU 7 HG LEU 7 3.931 -3.837 -10.711 919 1HD1 LEU 7 1HD1 LEU 7 4.215 -4.019 -8.500 920 2HD1 LEU 7 2HD1 LEU 7 2.534 -4.473 -8.220 921 3HD1 LEU 7 3HD1 LEU 7 2.971 -2.774 -8.396 922 1HD2 LEU 7 1HD2 LEU 7 2.824 -6.011 -10.067 923 2HD2 LEU 7 2HD2 LEU 7 2.383 -5.369 -11.650 924 3HD2 LEU 7 3HD2 LEU 7 1.276 -5.193 -10.289 925 H ASN 8 H ASN 8 3.623 -1.763 -13.822 926 HA ASN 8 HA ASN 8 1.087 -0.951 -14.964 927 1HB ASN 8 1HB ASN 8 3.477 0.800 -14.905 928 2HB ASN 8 2HB ASN 8 2.622 0.697 -16.440 929 1HD2 ASN 8 1HD2 ASN 8 2.861 3.003 -14.810 930 2HD2 ASN 8 2HD2 ASN 8 1.272 3.454 -14.305 931 H GLY 9 H GLY 9 4.441 -1.014 -16.121 932 1HA GLY 9 1HA GLY 9 4.450 -3.491 -17.348 933 2HA GLY 9 2HA GLY 9 3.748 -2.386 -18.520 934 H LYS 10 H LYS 10 5.062 -0.318 -18.842 935 HA LYS 10 HA LYS 10 6.968 0.661 -19.602 936 1HB LYS 10 1HB LYS 10 7.502 0.234 -17.090 937 2HB LYS 10 2HB LYS 10 8.571 -1.020 -17.703 938 1HG LYS 10 1HG LYS 10 9.880 0.566 -18.898 939 2HG LYS 10 2HG LYS 10 8.711 1.850 -18.588 940 1HD LYS 10 1HD LYS 10 10.524 2.183 -17.086 941 2HD LYS 10 2HD LYS 10 9.181 1.544 -16.136 942 1HE LYS 10 1HE LYS 10 10.386 -0.213 -15.504 943 2HE LYS 10 2HE LYS 10 10.784 -0.604 -17.177 944 1HZ LYS 10 1HZ LYS 10 12.801 -0.207 -16.015 945 2HZ LYS 10 2HZ LYS 10 12.236 1.253 -15.376 946 3HZ LYS 10 3HZ LYS 10 12.550 1.121 -17.033 947 H THR 11 H THR 11 9.059 0.252 -20.712 948 HA THR 11 HA THR 11 10.274 -0.807 -22.313 949 HB THR 11 HB THR 11 9.613 -3.534 -21.391 950 HG1 THR 11 HG1 THR 11 9.737 -3.005 -19.369 951 1HG2 THR 11 1HG2 THR 11 11.989 -2.021 -22.243 952 2HG2 THR 11 2HG2 THR 11 11.517 -3.688 -22.574 953 3HG2 THR 11 3HG2 THR 11 12.250 -3.270 -21.025 954 H LEU 12 H LEU 12 9.368 -0.600 -24.256 955 HA LEU 12 HA LEU 12 7.250 -2.509 -25.001 956 1HB LEU 12 1HB LEU 12 7.489 0.425 -25.522 957 2HB LEU 12 2HB LEU 12 6.668 -0.587 -26.695 958 HG LEU 12 HG LEU 12 5.901 -0.341 -23.785 959 1HD1 LEU 12 1HD1 LEU 12 4.423 0.720 -26.178 960 2HD1 LEU 12 2HD1 LEU 12 5.536 1.697 -25.220 961 3HD1 LEU 12 3HD1 LEU 12 4.092 1.018 -24.472 962 1HD2 LEU 12 1HD2 LEU 12 4.672 -1.824 -26.100 963 2HD2 LEU 12 2HD2 LEU 12 3.829 -1.500 -24.585 964 3HD2 LEU 12 3HD2 LEU 12 5.285 -2.497 -24.589 965 H LYS 13 H LYS 13 8.755 -3.954 -25.882 966 HA LYS 13 HA LYS 13 9.410 -3.493 -28.606 967 1HB LYS 13 1HB LYS 13 11.265 -2.347 -27.067 968 2HB LYS 13 2HB LYS 13 11.892 -3.990 -27.039 969 1HG LYS 13 1HG LYS 13 12.073 -4.019 -29.435 970 2HG LYS 13 2HG LYS 13 11.291 -2.441 -29.549 971 1HD LYS 13 1HD LYS 13 13.342 -1.899 -27.849 972 2HD LYS 13 2HD LYS 13 14.067 -3.134 -28.882 973 1HE LYS 13 1HE LYS 13 12.684 -0.647 -29.880 974 2HE LYS 13 2HE LYS 13 14.429 -0.822 -29.702 975 1HZ LYS 13 1HZ LYS 13 13.961 -1.281 -31.938 976 2HZ LYS 13 2HZ LYS 13 12.633 -2.260 -31.565 977 3HZ LYS 13 3HZ LYS 13 14.200 -2.800 -31.231 978 H GLY 14 H GLY 14 10.011 -5.385 -29.687 979 1HA GLY 14 1HA GLY 14 10.846 -7.670 -29.610 980 2HA GLY 14 2HA GLY 14 10.121 -7.816 -28.016 981 H GLU 15 H GLU 15 7.601 -6.839 -28.411 982 HA GLU 15 HA GLU 15 5.524 -7.450 -29.106 983 1HB GLU 15 1HB GLU 15 6.814 -6.777 -31.360 984 2HB GLU 15 2HB GLU 15 6.499 -8.469 -31.721 985 1HG GLU 15 1HG GLU 15 4.112 -8.105 -31.356 986 2HG GLU 15 2HG GLU 15 4.427 -6.411 -30.989 987 H THR 16 H THR 16 6.826 -9.298 -27.570 988 HA THR 16 HA THR 16 6.198 -11.884 -28.825 989 HB THR 16 HB THR 16 7.814 -11.443 -26.313 990 HG1 THR 16 HG1 THR 16 8.802 -11.813 -28.942 991 1HG2 THR 16 1HG2 THR 16 8.358 -13.723 -28.075 992 2HG2 THR 16 2HG2 THR 16 6.809 -13.767 -27.233 993 3HG2 THR 16 3HG2 THR 16 8.307 -13.625 -26.315 994 H THR 17 H THR 17 6.197 -10.554 -25.508 995 HA THR 17 HA THR 17 3.415 -11.357 -25.187 996 HB THR 17 HB THR 17 5.587 -12.353 -23.330 997 HG1 THR 17 HG1 THR 17 5.515 -13.500 -25.302 998 1HG2 THR 17 1HG2 THR 17 3.375 -13.851 -22.833 999 2HG2 THR 17 2HG2 THR 17 2.681 -12.250 -23.092 1000 3HG2 THR 17 3HG2 THR 17 3.920 -12.486 -21.859 1001 H THR 18 H THR 18 6.134 -10.388 -23.091 1002 HA THR 18 HA THR 18 6.337 -8.758 -21.520 1003 HB THR 18 HB THR 18 5.704 -6.524 -22.192 1004 HG1 THR 18 HG1 THR 18 3.830 -6.368 -23.108 1005 1HG2 THR 18 1HG2 THR 18 6.337 -7.894 -24.777 1006 2HG2 THR 18 2HG2 THR 18 7.528 -7.739 -23.484 1007 3HG2 THR 18 3HG2 THR 18 6.829 -6.295 -24.217 1008 H GLU 19 H GLU 19 4.972 -10.174 -20.144 1009 HA GLU 19 HA GLU 19 2.695 -8.640 -19.150 1010 1HB GLU 19 1HB GLU 19 2.579 -11.519 -20.027 1011 2HB GLU 19 2HB GLU 19 1.444 -10.860 -18.857 1012 1HG GLU 19 1HG GLU 19 1.776 -9.373 -21.391 1013 2HG GLU 19 2HG GLU 19 0.956 -10.932 -21.469 1014 H ALA 20 H ALA 20 3.284 -8.212 -17.117 1015 HA ALA 20 HA ALA 20 3.669 -10.293 -15.223 1016 1HB ALA 20 1HB ALA 20 5.916 -10.205 -14.742 1017 2HB ALA 20 2HB ALA 20 6.112 -8.602 -15.453 1018 3HB ALA 20 3HB ALA 20 5.933 -10.012 -16.496 1019 H VAL 21 H VAL 21 4.811 -6.959 -15.632 1020 HA VAL 21 HA VAL 21 4.013 -6.231 -12.985 1021 HB VAL 21 HB VAL 21 4.765 -4.259 -15.130 1022 1HG1 VAL 21 1HG1 VAL 21 5.361 -2.846 -13.358 1023 2HG1 VAL 21 2HG1 VAL 21 5.391 -4.172 -12.195 1024 3HG1 VAL 21 3HG1 VAL 21 3.852 -3.594 -12.833 1025 1HG2 VAL 21 1HG2 VAL 21 6.521 -6.126 -13.570 1026 2HG2 VAL 21 2HG2 VAL 21 7.115 -4.556 -14.111 1027 3HG2 VAL 21 3HG2 VAL 21 6.559 -5.744 -15.292 1028 H ASP 22 H ASP 22 1.742 -7.080 -13.735 1029 HA ASP 22 HA ASP 22 0.140 -4.853 -14.799 1030 1HB ASP 22 1HB ASP 22 -0.253 -7.817 -14.659 1031 2HB ASP 22 2HB ASP 22 -1.668 -6.767 -14.710 1032 H ALA 23 H ALA 23 -1.605 -4.046 -13.712 1033 HA ALA 23 HA ALA 23 -1.440 -3.674 -10.994 1034 1HB ALA 23 1HB ALA 23 -3.069 -2.823 -13.059 1035 2HB ALA 23 2HB ALA 23 -3.130 -2.275 -11.381 1036 3HB ALA 23 3HB ALA 23 -4.184 -3.583 -11.921 1037 H ALA 24 H ALA 24 -3.306 -6.104 -12.766 1038 HA ALA 24 HA ALA 24 -4.595 -7.226 -10.502 1039 1HB ALA 24 1HB ALA 24 -5.662 -7.691 -12.509 1040 2HB ALA 24 2HB ALA 24 -4.867 -9.218 -12.129 1041 3HB ALA 24 3HB ALA 24 -4.160 -8.128 -13.322 1042 H THR 25 H THR 25 -1.505 -7.739 -12.034 1043 HA THR 25 HA THR 25 -0.861 -10.252 -10.959 1044 HB THR 25 HB THR 25 0.892 -7.932 -11.790 1045 HG1 THR 25 HG1 THR 25 0.261 -10.374 -13.084 1046 1HG2 THR 25 1HG2 THR 25 2.453 -10.107 -12.138 1047 2HG2 THR 25 2HG2 THR 25 1.654 -10.500 -10.615 1048 3HG2 THR 25 3HG2 THR 25 2.568 -8.995 -10.771 1049 H PHE 26 H PHE 26 -0.538 -6.994 -9.696 1050 HA PHE 26 HA PHE 26 0.956 -7.704 -7.380 1051 1HB PHE 26 1HB PHE 26 0.717 -5.366 -8.371 1052 2HB PHE 26 2HB PHE 26 -0.865 -5.309 -7.597 1053 HD1 PHE 26 HD1 PHE 26 2.657 -6.180 -6.723 1054 HD2 PHE 26 HD2 PHE 26 -0.979 -4.318 -5.531 1055 HE1 PHE 26 HE1 PHE 26 3.716 -5.471 -4.619 1056 HE2 PHE 26 HE2 PHE 26 0.074 -3.603 -3.424 1057 HZ PHE 26 HZ PHE 26 2.424 -4.180 -2.966 1058 H GLU 27 H GLU 27 -2.487 -6.956 -7.870 1059 HA GLU 27 HA GLU 27 -3.410 -7.345 -5.305 1060 1HB GLU 27 1HB GLU 27 -4.782 -7.994 -7.917 1061 2HB GLU 27 2HB GLU 27 -5.597 -7.920 -6.361 1062 1HG GLU 27 1HG GLU 27 -5.427 -5.637 -6.222 1063 2HG GLU 27 2HG GLU 27 -4.020 -5.570 -7.282 1064 H LYS 28 H LYS 28 -3.314 -9.821 -7.878 1065 HA LYS 28 HA LYS 28 -4.217 -11.919 -6.244 1066 1HB LYS 28 1HB LYS 28 -4.157 -11.789 -8.790 1067 2HB LYS 28 2HB LYS 28 -2.472 -12.273 -8.669 1068 1HG LYS 28 1HG LYS 28 -3.345 -14.265 -7.312 1069 2HG LYS 28 2HG LYS 28 -4.928 -13.832 -7.960 1070 1HD LYS 28 1HD LYS 28 -3.414 -13.788 -10.211 1071 2HD LYS 28 2HD LYS 28 -2.606 -15.056 -9.288 1072 1HE LYS 28 1HE LYS 28 -5.584 -15.062 -9.543 1073 2HE LYS 28 2HE LYS 28 -4.589 -15.655 -10.872 1074 1HZ LYS 28 1HZ LYS 28 -3.533 -17.194 -9.290 1075 2HZ LYS 28 2HZ LYS 28 -5.193 -17.471 -9.450 1076 3HZ LYS 28 3HZ LYS 28 -4.598 -16.672 -8.082 1077 H VAL 29 H VAL 29 -0.874 -11.152 -7.301 1078 HA VAL 29 HA VAL 29 0.338 -13.277 -5.921 1079 HB VAL 29 HB VAL 29 1.554 -10.622 -6.686 1080 1HG1 VAL 29 1HG1 VAL 29 3.688 -11.830 -6.622 1081 2HG1 VAL 29 2HG1 VAL 29 2.852 -13.266 -6.029 1082 3HG1 VAL 29 3HG1 VAL 29 2.905 -11.805 -5.040 1083 1HG2 VAL 29 1HG2 VAL 29 1.863 -11.387 -8.792 1084 2HG2 VAL 29 2HG2 VAL 29 0.444 -12.362 -8.405 1085 3HG2 VAL 29 3HG2 VAL 29 2.058 -13.061 -8.273 1086 H VAL 30 H VAL 30 -0.295 -9.932 -4.933 1087 HA VAL 30 HA VAL 30 1.140 -10.140 -2.486 1088 HB VAL 30 HB VAL 30 -1.019 -8.161 -3.234 1089 1HG1 VAL 30 1HG1 VAL 30 0.995 -8.199 -0.993 1090 2HG1 VAL 30 2HG1 VAL 30 -0.762 -8.134 -0.864 1091 3HG1 VAL 30 3HG1 VAL 30 0.128 -6.749 -1.496 1092 1HG2 VAL 30 1HG2 VAL 30 0.579 -6.836 -4.199 1093 2HG2 VAL 30 2HG2 VAL 30 1.238 -8.426 -4.581 1094 3HG2 VAL 30 3HG2 VAL 30 1.883 -7.508 -3.220 1095 H LYS 31 H LYS 31 -2.345 -10.436 -3.260 1096 HA LYS 31 HA LYS 31 -3.173 -10.776 -0.587 1097 1HB LYS 31 1HB LYS 31 -4.683 -10.237 -2.501 1098 2HB LYS 31 2HB LYS 31 -4.470 -11.880 -3.087 1099 1HG LYS 31 1HG LYS 31 -5.527 -12.773 -1.119 1100 2HG LYS 31 2HG LYS 31 -5.623 -11.164 -0.399 1101 1HD LYS 31 1HD LYS 31 -7.265 -10.461 -1.903 1102 2HD LYS 31 2HD LYS 31 -6.897 -11.749 -3.050 1103 1HE LYS 31 1HE LYS 31 -7.620 -13.251 -0.973 1104 2HE LYS 31 2HE LYS 31 -8.548 -11.803 -0.587 1105 1HZ LYS 31 1HZ LYS 31 -9.228 -12.008 -3.087 1106 2HZ LYS 31 2HZ LYS 31 -10.018 -12.920 -1.902 1107 3HZ LYS 31 3HZ LYS 31 -8.820 -13.635 -2.859 1108 H GLN 32 H GLN 32 -2.282 -13.086 -3.121 1109 HA GLN 32 HA GLN 32 -2.815 -15.425 -1.645 1110 1HB GLN 32 1HB GLN 32 -2.468 -15.291 -4.129 1111 2HB GLN 32 2HB GLN 32 -0.747 -15.101 -3.824 1112 1HG GLN 32 1HG GLN 32 -0.827 -17.340 -4.184 1113 2HG GLN 32 2HG GLN 32 -1.094 -17.313 -2.441 1114 1HE2 GLN 32 1HE2 GLN 32 -2.675 -17.566 -5.564 1115 2HE2 GLN 32 2HE2 GLN 32 -4.081 -18.393 -4.997 1116 H PHE 33 H PHE 33 0.191 -13.536 -2.076 1117 HA PHE 33 HA PHE 33 1.793 -15.250 -0.513 1118 1HB PHE 33 1HB PHE 33 3.014 -13.995 -1.982 1119 2HB PHE 33 2HB PHE 33 2.050 -12.551 -1.734 1120 HD1 PHE 33 HD1 PHE 33 4.234 -14.715 0.438 1121 HD2 PHE 33 HD2 PHE 33 3.220 -10.819 -0.943 1122 HE1 PHE 33 HE1 PHE 33 6.019 -13.751 1.842 1123 HE2 PHE 33 HE2 PHE 33 4.988 -9.850 0.463 1124 HZ PHE 33 HZ PHE 33 6.387 -11.306 1.863 1125 H PHE 34 H PHE 34 0.128 -12.199 0.290 1126 HA PHE 34 HA PHE 34 1.081 -12.278 2.985 1127 1HB PHE 34 1HB PHE 34 -0.787 -10.499 1.486 1128 2HB PHE 34 2HB PHE 34 -0.751 -10.432 3.250 1129 HD1 PHE 34 HD1 PHE 34 1.254 -9.970 0.190 1130 HD2 PHE 34 HD2 PHE 34 1.095 -9.515 4.419 1131 HE1 PHE 34 HE1 PHE 34 3.309 -8.617 0.120 1132 HE2 PHE 34 HE2 PHE 34 3.143 -8.156 4.356 1133 HZ PHE 34 HZ PHE 34 4.262 -7.715 2.207 1134 H ASN 35 H ASN 35 -1.863 -13.406 1.417 1135 HA ASN 35 HA ASN 35 -3.458 -13.743 3.688 1136 1HB ASN 35 1HB ASN 35 -3.333 -15.156 1.047 1137 2HB ASN 35 2HB ASN 35 -4.371 -15.792 2.318 1138 1HD2 ASN 35 1HD2 ASN 35 -3.768 -12.365 1.966 1139 2HD2 ASN 35 2HD2 ASN 35 -5.349 -11.954 1.411 1140 H ASP 36 H ASP 36 -0.758 -15.599 2.527 1141 HA ASP 36 HA ASP 36 -1.114 -17.959 3.996 1142 1HB ASP 36 1HB ASP 36 1.336 -16.606 2.885 1143 2HB ASP 36 2HB ASP 36 1.431 -18.136 3.752 1144 H ASN 37 H ASN 37 -0.292 -14.832 5.063 1145 HA ASN 37 HA ASN 37 0.804 -15.903 7.577 1146 1HB ASN 37 1HB ASN 37 1.747 -13.720 8.019 1147 2HB ASN 37 2HB ASN 37 2.226 -14.254 6.410 1148 1HD2 ASN 37 1HD2 ASN 37 2.140 -12.753 4.933 1149 2HD2 ASN 37 2HD2 ASN 37 1.068 -11.399 4.907 1150 H GLY 38 H GLY 38 -1.976 -14.341 6.266 1151 1HA GLY 38 1HA GLY 38 -3.892 -14.662 7.881 1152 2HA GLY 38 2HA GLY 38 -2.900 -13.767 9.014 1153 H VAL 39 H VAL 39 -2.704 -12.640 5.779 1154 HA VAL 39 HA VAL 39 -4.173 -10.245 6.549 1155 HB VAL 39 HB VAL 39 -2.716 -10.753 3.953 1156 1HG1 VAL 39 1HG1 VAL 39 -4.317 -8.919 3.867 1157 2HG1 VAL 39 2HG1 VAL 39 -2.665 -8.302 3.813 1158 3HG1 VAL 39 3HG1 VAL 39 -3.596 -8.203 5.308 1159 1HG2 VAL 39 1HG2 VAL 39 -1.725 -10.074 6.643 1160 2HG2 VAL 39 2HG2 VAL 39 -1.094 -9.089 5.324 1161 3HG2 VAL 39 3HG2 VAL 39 -0.899 -10.841 5.287 1162 H ASP 40 H ASP 40 -6.010 -9.471 5.525 1163 HA ASP 40 HA ASP 40 -7.133 -10.877 3.270 1164 1HB ASP 40 1HB ASP 40 -8.315 -11.099 6.028 1165 2HB ASP 40 2HB ASP 40 -9.322 -11.244 4.591 1166 H GLY 41 H GLY 41 -9.575 -9.998 3.056 1167 1HA GLY 41 1HA GLY 41 -10.924 -7.972 3.510 1168 2HA GLY 41 2HA GLY 41 -9.416 -7.072 3.454 1169 H GLU 42 H GLU 42 -9.973 -5.716 1.770 1170 HA GLU 42 HA GLU 42 -9.888 -6.943 -0.865 1171 1HB GLU 42 1HB GLU 42 -12.161 -5.169 0.035 1172 2HB GLU 42 2HB GLU 42 -11.840 -5.591 -1.642 1173 1HG GLU 42 1HG GLU 42 -11.991 -8.032 -0.804 1174 2HG GLU 42 2HG GLU 42 -12.809 -7.324 0.588 1175 H TRP 43 H TRP 43 -9.414 -5.436 -2.569 1176 HA TRP 43 HA TRP 43 -7.583 -3.411 -1.739 1177 1HB TRP 43 1HB TRP 43 -8.595 -4.289 -4.437 1178 2HB TRP 43 2HB TRP 43 -7.457 -2.959 -4.243 1179 HD1 TRP 43 HD1 TRP 43 -7.649 -6.718 -4.314 1180 HE1 TRP 43 HE1 TRP 43 -5.288 -7.707 -4.038 1181 HE3 TRP 43 HE3 TRP 43 -5.132 -2.461 -3.017 1182 HZ2 TRP 43 HZ2 TRP 43 -2.703 -6.802 -3.359 1183 HZ3 TRP 43 HZ3 TRP 43 -2.717 -2.609 -2.570 1184 HH2 TRP 43 HH2 TRP 43 -1.529 -4.736 -2.737 1185 H THR 44 H THR 44 -8.022 -1.437 -1.180 1186 HA THR 44 HA THR 44 -10.464 -0.173 -2.228 1187 HB THR 44 HB THR 44 -10.491 1.186 -0.189 1188 HG1 THR 44 HG1 THR 44 -8.933 1.095 1.268 1189 1HG2 THR 44 1HG2 THR 44 -11.435 -1.237 -0.263 1190 2HG2 THR 44 2HG2 THR 44 -11.333 -0.366 1.267 1191 3HG2 THR 44 3HG2 THR 44 -10.115 -1.573 0.857 1192 H TYR 45 H TYR 45 -10.351 1.842 -3.061 1193 HA TYR 45 HA TYR 45 -7.845 2.705 -4.111 1194 1HB TYR 45 1HB TYR 45 -10.643 3.785 -4.202 1195 2HB TYR 45 2HB TYR 45 -9.300 4.766 -4.777 1196 HD1 TYR 45 HD1 TYR 45 -11.499 1.987 -5.502 1197 HD2 TYR 45 HD2 TYR 45 -7.915 3.949 -6.686 1198 HE1 TYR 45 HE1 TYR 45 -11.595 0.839 -7.675 1199 HE2 TYR 45 HE2 TYR 45 -8.001 2.808 -8.861 1200 HH TYR 45 HH TYR 45 -10.542 1.507 -10.158 1201 H ASP 46 H ASP 46 -6.607 4.487 -3.594 1202 HA ASP 46 HA ASP 46 -6.628 5.285 -0.853 1203 1HB ASP 46 1HB ASP 46 -4.970 6.013 -3.251 1204 2HB ASP 46 2HB ASP 46 -4.815 6.930 -1.756 1205 H ASP 47 H ASP 47 -6.652 7.538 -0.124 1206 HA ASP 47 HA ASP 47 -8.973 8.900 -0.987 1207 1HB ASP 47 1HB ASP 47 -7.839 8.951 1.326 1208 2HB ASP 47 2HB ASP 47 -6.778 10.175 0.636 1209 H ALA 48 H ALA 48 -9.264 10.368 -2.536 1210 HA ALA 48 HA ALA 48 -7.382 10.938 -4.479 1211 1HB ALA 48 1HB ALA 48 -9.889 11.180 -4.620 1212 2HB ALA 48 2HB ALA 48 -8.944 12.450 -5.398 1213 3HB ALA 48 3HB ALA 48 -9.694 12.745 -3.830 1214 H THR 49 H THR 49 -6.042 12.614 -4.945 1215 HA THR 49 HA THR 49 -5.740 14.769 -2.982 1216 HB THR 49 HB THR 49 -3.405 13.199 -4.089 1217 HG1 THR 49 HG1 THR 49 -3.918 11.831 -2.593 1218 1HG2 THR 49 1HG2 THR 49 -2.077 14.336 -2.438 1219 2HG2 THR 49 2HG2 THR 49 -3.495 15.203 -1.848 1220 3HG2 THR 49 3HG2 THR 49 -2.880 15.517 -3.471 1221 H LYS 50 H LYS 50 -4.603 16.644 -3.824 1222 HA LYS 50 HA LYS 50 -4.523 16.732 -6.767 1223 1HB LYS 50 1HB LYS 50 -5.713 18.758 -4.874 1224 2HB LYS 50 2HB LYS 50 -5.339 19.120 -6.553 1225 1HG LYS 50 1HG LYS 50 -6.835 17.195 -7.185 1226 2HG LYS 50 2HG LYS 50 -7.342 17.146 -5.493 1227 1HD LYS 50 1HD LYS 50 -7.444 19.736 -6.973 1228 2HD LYS 50 2HD LYS 50 -8.702 18.531 -7.257 1229 1HE LYS 50 1HE LYS 50 -9.388 18.568 -5.003 1230 2HE LYS 50 2HE LYS 50 -7.934 19.424 -4.493 1231 1HZ LYS 50 1HZ LYS 50 -8.697 21.410 -5.386 1232 2HZ LYS 50 2HZ LYS 50 -10.095 20.740 -4.710 1233 3HZ LYS 50 3HZ LYS 50 -9.840 20.657 -6.380 1234 H THR 51 H THR 51 -2.617 17.303 -7.526 1235 HA THR 51 HA THR 51 -0.768 18.780 -5.779 1236 HB THR 51 HB THR 51 -0.292 16.860 -8.062 1237 HG1 THR 51 HG1 THR 51 0.793 15.717 -6.422 1238 1HG2 THR 51 1HG2 THR 51 2.138 17.125 -7.513 1239 2HG2 THR 51 2HG2 THR 51 1.709 18.605 -6.653 1240 3HG2 THR 51 3HG2 THR 51 1.408 18.472 -8.385 1241 H PHE 52 H PHE 52 0.029 20.724 -6.390 1242 HA PHE 52 HA PHE 52 -1.162 22.013 -8.683 1243 1HB PHE 52 1HB PHE 52 -0.886 23.184 -6.506 1244 2HB PHE 52 2HB PHE 52 0.860 23.105 -6.716 1245 HD1 PHE 52 HD1 PHE 52 -2.249 24.629 -7.931 1246 HD2 PHE 52 HD2 PHE 52 1.995 24.562 -8.235 1247 HE1 PHE 52 HE1 PHE 52 -2.310 26.744 -9.188 1248 HE2 PHE 52 HE2 PHE 52 1.942 26.677 -9.492 1249 HZ PHE 52 HZ PHE 52 -0.212 27.771 -9.969 1250 H THR 53 H THR 53 -0.310 21.868 -10.657 1251 HA THR 53 HA THR 53 2.506 21.193 -10.968 1252 HB THR 53 HB THR 53 0.327 21.510 -13.045 1253 HG1 THR 53 HG1 THR 53 0.425 19.212 -13.054 1254 1HG2 THR 53 1HG2 THR 53 2.267 21.739 -14.282 1255 2HG2 THR 53 2HG2 THR 53 1.945 20.007 -14.357 1256 3HG2 THR 53 3HG2 THR 53 3.174 20.629 -13.254 1257 H VAL 54 H VAL 54 4.036 22.663 -11.357 1258 HA VAL 54 HA VAL 54 3.395 25.432 -11.564 1259 HB VAL 54 HB VAL 54 6.100 24.268 -12.176 1260 1HG1 VAL 54 1HG1 VAL 54 5.040 26.913 -11.280 1261 2HG1 VAL 54 2HG1 VAL 54 6.181 26.541 -12.571 1262 3HG1 VAL 54 3HG1 VAL 54 6.694 26.446 -10.886 1263 1HG2 VAL 54 1HG2 VAL 54 5.747 23.203 -10.162 1264 2HG2 VAL 54 2HG2 VAL 54 4.692 24.478 -9.551 1265 3HG2 VAL 54 3HG2 VAL 54 6.435 24.736 -9.626 1266 H THR 55 H THR 55 4.011 26.867 -13.284 1267 HA THR 55 HA THR 55 4.473 25.700 -15.904 1268 HB THR 55 HB THR 55 2.077 27.459 -15.373 1269 HG1 THR 55 HG1 THR 55 2.312 24.676 -15.797 1270 1HG2 THR 55 1HG2 THR 55 3.103 26.154 -17.870 1271 2HG2 THR 55 2HG2 THR 55 2.739 27.857 -17.591 1272 3HG2 THR 55 3HG2 THR 55 1.430 26.678 -17.682 1273 H GLU 56 H GLU 56 3.332 28.815 -14.636 1274 HA GLU 56 HA GLU 56 4.135 30.934 -14.830 1275 1HB GLU 56 1HB GLU 56 6.809 29.542 -15.058 1276 2HB GLU 56 2HB GLU 56 6.562 31.243 -14.693 1277 1HG GLU 56 1HG GLU 56 5.615 30.751 -12.585 1278 2HG GLU 56 2HG GLU 56 5.476 29.037 -12.971 1279 1H MET 1 1H MET 1 -0.136 2.115 -13.045 1280 2H MET 1 2H MET 1 0.935 1.120 -12.145 1281 3H MET 1 3H MET 1 1.192 2.815 -12.217 1282 HA MET 1 HA MET 1 -0.825 3.210 -11.053 1283 1HB MET 1 1HB MET 1 -1.043 0.245 -11.404 1284 2HB MET 1 2HB MET 1 -1.785 0.993 -9.996 1285 1HG MET 1 1HG MET 1 -2.373 2.271 -12.580 1286 2HG MET 1 2HG MET 1 -3.026 0.650 -12.355 1287 1HE MET 1 1HE MET 1 -2.637 4.123 -10.503 1288 2HE MET 1 2HE MET 1 -2.393 2.899 -9.257 1289 3HE MET 1 3HE MET 1 -3.826 3.927 -9.216 1290 H GLN 2 H GLN 2 -0.481 3.728 -8.976 1291 HA GLN 2 HA GLN 2 1.920 2.681 -7.704 1292 1HB GLN 2 1HB GLN 2 1.228 5.176 -7.869 1293 2HB GLN 2 2HB GLN 2 0.142 4.803 -6.536 1294 1HG GLN 2 1HG GLN 2 1.919 4.294 -5.089 1295 2HG GLN 2 2HG GLN 2 3.078 4.204 -6.414 1296 1HE2 GLN 2 1HE2 GLN 2 0.697 6.560 -5.231 1297 2HE2 GLN 2 2HE2 GLN 2 1.772 7.913 -5.254 1298 H TYR 3 H TYR 3 1.884 1.153 -6.194 1299 HA TYR 3 HA TYR 3 -0.690 0.536 -4.917 1300 1HB TYR 3 1HB TYR 3 1.644 -1.171 -5.701 1301 2HB TYR 3 2HB TYR 3 0.554 -1.701 -4.422 1302 HD1 TYR 3 HD1 TYR 3 1.143 -1.709 -7.900 1303 HD2 TYR 3 HD2 TYR 3 -1.994 -1.648 -5.027 1304 HE1 TYR 3 HE1 TYR 3 -0.418 -2.573 -9.593 1305 HE2 TYR 3 HE2 TYR 3 -3.563 -2.512 -6.711 1306 HH TYR 3 HH TYR 3 -3.255 -3.956 -8.944 1307 H LYS 4 H LYS 4 -0.943 0.749 -2.849 1308 HA LYS 4 HA LYS 4 1.400 1.351 -1.169 1309 1HB LYS 4 1HB LYS 4 -1.369 2.365 -1.250 1310 2HB LYS 4 2HB LYS 4 -0.720 2.093 0.362 1311 1HG LYS 4 1HG LYS 4 1.326 3.435 -0.552 1312 2HG LYS 4 2HG LYS 4 0.154 4.022 -1.734 1313 1HD LYS 4 1HD LYS 4 -1.327 4.662 0.181 1314 2HD LYS 4 2HD LYS 4 -0.001 4.250 1.269 1315 1HE LYS 4 1HE LYS 4 1.381 5.960 0.367 1316 2HE LYS 4 2HE LYS 4 0.271 6.239 -0.974 1317 1HZ LYS 4 1HZ LYS 4 0.048 7.954 0.696 1318 2HZ LYS 4 2HZ LYS 4 -0.282 6.802 1.890 1319 3HZ LYS 4 3HZ LYS 4 -1.374 7.040 0.620 1320 H VAL 5 H VAL 5 2.009 -0.057 0.330 1321 HA VAL 5 HA VAL 5 0.030 -1.840 1.545 1322 HB VAL 5 HB VAL 5 2.645 -2.902 0.470 1323 1HG1 VAL 5 1HG1 VAL 5 0.345 -4.063 1.968 1324 2HG1 VAL 5 2HG1 VAL 5 2.076 -4.332 2.173 1325 3HG1 VAL 5 3HG1 VAL 5 1.221 -5.078 0.823 1326 1HG2 VAL 5 1HG2 VAL 5 -0.120 -2.966 -0.713 1327 2HG2 VAL 5 2HG2 VAL 5 1.134 -4.121 -1.163 1328 3HG2 VAL 5 3HG2 VAL 5 1.375 -2.399 -1.456 1329 H ILE 6 H ILE 6 0.245 -1.753 3.688 1330 HA ILE 6 HA ILE 6 2.719 -0.717 4.831 1331 HB ILE 6 HB ILE 6 0.183 -1.384 6.313 1332 1HG1 ILE 6 1HG1 ILE 6 0.948 1.324 5.213 1333 2HG1 ILE 6 2HG1 ILE 6 -0.173 0.236 4.401 1334 1HG2 ILE 6 1HG2 ILE 6 1.037 0.249 7.932 1335 2HG2 ILE 6 2HG2 ILE 6 2.484 0.457 6.944 1336 3HG2 ILE 6 3HG2 ILE 6 2.151 -1.099 7.702 1337 1HD1 ILE 6 1HD1 ILE 6 -1.748 1.311 5.551 1338 2HD1 ILE 6 2HD1 ILE 6 -0.584 1.989 6.689 1339 3HD1 ILE 6 3HD1 ILE 6 -1.204 0.355 6.929 1340 H LEU 7 H LEU 7 4.248 -2.081 5.496 1341 HA LEU 7 HA LEU 7 3.431 -4.743 6.456 1342 1HB LEU 7 1HB LEU 7 5.637 -3.840 4.735 1343 2HB LEU 7 2HB LEU 7 6.127 -4.948 6.003 1344 HG LEU 7 HG LEU 7 3.915 -6.206 4.977 1345 1HD1 LEU 7 1HD1 LEU 7 3.601 -5.827 2.795 1346 2HD1 LEU 7 2HD1 LEU 7 5.325 -5.636 2.477 1347 3HD1 LEU 7 3HD1 LEU 7 4.389 -4.282 3.113 1348 1HD2 LEU 7 1HD2 LEU 7 5.603 -7.657 3.799 1349 2HD2 LEU 7 2HD2 LEU 7 5.911 -7.377 5.513 1350 3HD2 LEU 7 3HD2 LEU 7 6.835 -6.496 4.297 1351 H ASN 8 H ASN 8 3.712 -5.134 8.558 1352 HA ASN 8 HA ASN 8 5.918 -3.950 10.011 1353 1HB ASN 8 1HB ASN 8 3.102 -3.081 10.347 1354 2HB ASN 8 2HB ASN 8 4.022 -3.350 11.824 1355 1HD2 ASN 8 1HD2 ASN 8 2.998 -0.867 10.911 1356 2HD2 ASN 8 2HD2 ASN 8 4.343 0.181 10.632 1357 H GLY 9 H GLY 9 2.791 -5.432 10.813 1358 1HA GLY 9 1HA GLY 9 2.480 -7.688 11.489 1359 2HA GLY 9 2HA GLY 9 4.201 -7.793 11.831 1360 H LYS 10 H LYS 10 4.836 -7.626 13.882 1361 HA LYS 10 HA LYS 10 4.799 -7.313 16.131 1362 1HB LYS 10 1HB LYS 10 2.688 -5.224 15.584 1363 2HB LYS 10 2HB LYS 10 3.696 -5.355 17.018 1364 1HG LYS 10 1HG LYS 10 5.686 -4.989 15.538 1365 2HG LYS 10 2HG LYS 10 4.557 -4.625 14.231 1366 1HD LYS 10 1HD LYS 10 3.879 -2.650 15.187 1367 2HD LYS 10 2HD LYS 10 4.252 -3.190 16.825 1368 1HE LYS 10 1HE LYS 10 6.631 -2.970 16.377 1369 2HE LYS 10 2HE LYS 10 6.293 -2.503 14.711 1370 1HZ LYS 10 1HZ LYS 10 5.173 -0.529 15.522 1371 2HZ LYS 10 2HZ LYS 10 6.758 -0.584 16.108 1372 3HZ LYS 10 3HZ LYS 10 5.467 -0.982 17.126 1373 H THR 11 H THR 11 3.691 -7.952 17.994 1374 HA THR 11 HA THR 11 2.194 -9.139 19.217 1375 HB THR 11 HB THR 11 -0.021 -8.488 17.318 1376 HG1 THR 11 HG1 THR 11 0.616 -6.483 17.378 1377 1HG2 THR 11 1HG2 THR 11 -1.002 -7.794 19.636 1378 2HG2 THR 11 2HG2 THR 11 0.280 -8.834 20.255 1379 3HG2 THR 11 3HG2 THR 11 -0.934 -9.489 19.157 1380 H LEU 12 H LEU 12 2.706 -11.230 19.029 1381 HA LEU 12 HA LEU 12 1.764 -12.699 16.664 1382 1HB LEU 12 1HB LEU 12 3.998 -13.212 18.607 1383 2HB LEU 12 2HB LEU 12 3.385 -14.476 17.558 1384 HG LEU 12 HG LEU 12 3.870 -12.737 15.655 1385 1HD1 LEU 12 1HD1 LEU 12 4.430 -10.943 17.312 1386 2HD1 LEU 12 2HD1 LEU 12 5.663 -11.235 16.085 1387 3HD1 LEU 12 3HD1 LEU 12 5.879 -11.864 17.719 1388 1HD2 LEU 12 1HD2 LEU 12 5.844 -13.863 15.205 1389 2HD2 LEU 12 2HD2 LEU 12 4.992 -14.990 16.263 1390 3HD2 LEU 12 3HD2 LEU 12 6.285 -13.980 16.909 1391 H LYS 13 H LYS 13 2.450 -13.532 20.043 1392 HA LYS 13 HA LYS 13 1.306 -14.750 21.585 1393 1HB LYS 13 1HB LYS 13 -0.816 -13.335 20.075 1394 2HB LYS 13 2HB LYS 13 -1.336 -14.695 21.062 1395 1HG LYS 13 1HG LYS 13 -0.283 -13.666 23.022 1396 2HG LYS 13 2HG LYS 13 0.201 -12.291 22.026 1397 1HD LYS 13 1HD LYS 13 -2.251 -11.985 21.486 1398 2HD LYS 13 2HD LYS 13 -2.587 -13.164 22.758 1399 1HE LYS 13 1HE LYS 13 -1.687 -11.764 24.430 1400 2HE LYS 13 2HE LYS 13 -0.930 -10.703 23.242 1401 1HZ LYS 13 1HZ LYS 13 -3.201 -10.093 22.501 1402 2HZ LYS 13 2HZ LYS 13 -2.859 -9.626 24.089 1403 3HZ LYS 13 3HZ LYS 13 -3.832 -10.980 23.796 1404 H GLY 14 H GLY 14 2.040 -16.789 21.151 1405 1HA GLY 14 1HA GLY 14 0.556 -18.917 20.735 1406 2HA GLY 14 2HA GLY 14 0.695 -18.356 19.075 1407 H GLU 15 H GLU 15 2.326 -19.140 17.918 1408 HA GLU 15 HA GLU 15 4.618 -20.300 19.365 1409 1HB GLU 15 1HB GLU 15 3.508 -21.174 16.693 1410 2HB GLU 15 2HB GLU 15 4.831 -21.929 17.571 1411 1HG GLU 15 1HG GLU 15 2.949 -22.116 19.442 1412 2HG GLU 15 2HG GLU 15 1.913 -22.094 18.014 1413 H THR 16 H THR 16 6.573 -20.545 17.826 1414 HA THR 16 HA THR 16 7.224 -17.904 16.877 1415 HB THR 16 HB THR 16 8.932 -19.099 18.069 1416 HG1 THR 16 HG1 THR 16 10.468 -18.540 16.743 1417 1HG2 THR 16 1HG2 THR 16 8.537 -21.273 16.039 1418 2HG2 THR 16 2HG2 THR 16 8.402 -21.377 17.795 1419 3HG2 THR 16 3HG2 THR 16 9.980 -21.141 17.044 1420 H THR 17 H THR 17 7.813 -17.338 14.756 1421 HA THR 17 HA THR 17 7.188 -19.290 12.659 1422 HB THR 17 HB THR 17 6.027 -17.387 11.414 1423 HG1 THR 17 HG1 THR 17 5.946 -15.557 12.401 1424 1HG2 THR 17 1HG2 THR 17 3.915 -17.563 12.870 1425 2HG2 THR 17 2HG2 THR 17 4.858 -18.708 13.824 1426 3HG2 THR 17 3HG2 THR 17 4.554 -19.023 12.116 1427 H THR 18 H THR 18 7.660 -18.093 10.418 1428 HA THR 18 HA THR 18 10.395 -17.055 10.682 1429 HB THR 18 HB THR 18 10.676 -17.780 8.324 1430 HG1 THR 18 HG1 THR 18 8.805 -17.919 7.346 1431 1HG2 THR 18 1HG2 THR 18 11.133 -19.337 10.262 1432 2HG2 THR 18 2HG2 THR 18 10.863 -20.086 8.689 1433 3HG2 THR 18 3HG2 THR 18 9.577 -20.083 9.897 1434 H GLU 19 H GLU 19 7.265 -16.416 9.208 1435 HA GLU 19 HA GLU 19 8.235 -13.724 8.522 1436 1HB GLU 19 1HB GLU 19 6.649 -13.808 6.555 1437 2HB GLU 19 2HB GLU 19 8.079 -14.822 6.426 1438 1HG GLU 19 1HG GLU 19 6.871 -16.782 6.739 1439 2HG GLU 19 2HG GLU 19 5.497 -15.934 7.446 1440 H ALA 20 H ALA 20 6.999 -12.075 9.166 1441 HA ALA 20 HA ALA 20 4.191 -12.486 9.824 1442 1HB ALA 20 1HB ALA 20 5.014 -12.972 11.950 1443 2HB ALA 20 2HB ALA 20 4.628 -11.255 12.046 1444 3HB ALA 20 3HB ALA 20 6.301 -11.773 11.832 1445 H VAL 21 H VAL 21 4.792 -11.134 7.703 1446 HA VAL 21 HA VAL 21 4.704 -9.150 6.591 1447 HB VAL 21 HB VAL 21 3.402 -8.033 9.073 1448 1HG1 VAL 21 1HG1 VAL 21 2.388 -6.472 7.657 1449 2HG1 VAL 21 2HG1 VAL 21 2.746 -7.415 6.211 1450 3HG1 VAL 21 3HG1 VAL 21 4.044 -6.575 7.060 1451 1HG2 VAL 21 1HG2 VAL 21 2.298 -9.868 6.965 1452 2HG2 VAL 21 2HG2 VAL 21 1.259 -8.786 7.895 1453 3HG2 VAL 21 3HG2 VAL 21 2.208 -10.023 8.720 1454 H ASP 22 H ASP 22 7.114 -9.330 7.115 1455 HA ASP 22 HA ASP 22 8.043 -7.100 8.791 1456 1HB ASP 22 1HB ASP 22 9.296 -9.636 7.814 1457 2HB ASP 22 2HB ASP 22 10.327 -8.267 8.221 1458 H ALA 23 H ALA 23 9.375 -5.529 8.045 1459 HA ALA 23 HA ALA 23 8.975 -4.470 5.541 1460 1HB ALA 23 1HB ALA 23 10.348 -3.773 7.835 1461 2HB ALA 23 2HB ALA 23 10.166 -2.785 6.383 1462 3HB ALA 23 3HB ALA 23 11.595 -3.800 6.587 1463 H ALA 24 H ALA 24 11.588 -6.593 6.634 1464 HA ALA 24 HA ALA 24 13.056 -6.561 4.208 1465 1HB ALA 24 1HB ALA 24 14.310 -7.229 6.039 1466 2HB ALA 24 2HB ALA 24 14.002 -8.755 5.210 1467 3HB ALA 24 3HB ALA 24 13.054 -8.315 6.632 1468 H THR 25 H THR 25 10.354 -8.428 5.379 1469 HA THR 25 HA THR 25 10.476 -10.595 3.596 1470 HB THR 25 HB THR 25 8.129 -9.282 4.978 1471 HG1 THR 25 HG1 THR 25 9.547 -11.671 5.541 1472 1HG2 THR 25 1HG2 THR 25 7.341 -11.837 4.609 1473 2HG2 THR 25 2HG2 THR 25 8.153 -11.508 3.079 1474 3HG2 THR 25 3HG2 THR 25 6.824 -10.474 3.613 1475 H PHE 26 H PHE 26 9.096 -7.381 3.312 1476 HA PHE 26 HA PHE 26 7.791 -7.824 0.820 1477 1HB PHE 26 1HB PHE 26 7.333 -5.918 2.452 1478 2HB PHE 26 2HB PHE 26 8.780 -5.149 1.804 1479 HD1 PHE 26 HD1 PHE 26 5.675 -6.790 0.543 1480 HD2 PHE 26 HD2 PHE 26 8.480 -3.618 0.122 1481 HE1 PHE 26 HE1 PHE 26 4.352 -5.873 -1.318 1482 HE2 PHE 26 HE2 PHE 26 7.161 -2.694 -1.738 1483 HZ PHE 26 HZ PHE 26 5.094 -3.822 -2.461 1484 H GLU 27 H GLU 27 10.846 -6.211 1.668 1485 HA GLU 27 HA GLU 27 11.726 -5.537 -0.853 1486 1HB GLU 27 1HB GLU 27 13.345 -6.448 1.528 1487 2HB GLU 27 2HB GLU 27 14.031 -5.690 0.098 1488 1HG GLU 27 1HG GLU 27 13.166 -3.629 0.604 1489 2HG GLU 27 2HG GLU 27 11.846 -4.297 1.561 1490 H LYS 28 H LYS 28 12.526 -8.550 0.891 1491 HA LYS 28 HA LYS 28 13.959 -9.698 -1.234 1492 1HB LYS 28 1HB LYS 28 13.980 -10.332 1.237 1493 2HB LYS 28 2HB LYS 28 12.527 -11.262 0.901 1494 1HG LYS 28 1HG LYS 28 13.919 -12.398 -0.931 1495 2HG LYS 28 2HG LYS 28 15.313 -11.702 -0.102 1496 1HD LYS 28 1HD LYS 28 13.962 -12.788 1.983 1497 2HD LYS 28 2HD LYS 28 13.546 -13.916 0.692 1498 1HE LYS 28 1HE LYS 28 16.388 -13.077 1.078 1499 2HE LYS 28 2HE LYS 28 15.687 -14.303 2.133 1500 1HZ LYS 28 1HZ LYS 28 15.083 -15.569 0.126 1501 2HZ LYS 28 2HZ LYS 28 16.754 -15.358 0.282 1502 3HZ LYS 28 3HZ LYS 28 15.885 -14.423 -0.827 1503 H VAL 29 H VAL 29 10.598 -10.351 -0.158 1504 HA VAL 29 HA VAL 29 10.044 -12.255 -2.147 1505 HB VAL 29 HB VAL 29 8.100 -10.451 -0.705 1506 1HG1 VAL 29 1HG1 VAL 29 6.446 -12.189 -1.218 1507 2HG1 VAL 29 2HG1 VAL 29 7.657 -13.056 -2.163 1508 3HG1 VAL 29 3HG1 VAL 29 7.106 -11.462 -2.685 1509 1HG2 VAL 29 1HG2 VAL 29 8.145 -11.849 1.072 1510 2HG2 VAL 29 2HG2 VAL 29 9.775 -12.181 0.485 1511 3HG2 VAL 29 3HG2 VAL 29 8.452 -13.275 0.080 1512 H VAL 30 H VAL 30 9.557 -8.745 -2.099 1513 HA VAL 30 HA VAL 30 8.145 -8.674 -4.566 1514 HB VAL 30 HB VAL 30 9.613 -6.427 -3.178 1515 1HG1 VAL 30 1HG1 VAL 30 7.618 -6.444 -5.436 1516 2HG1 VAL 30 2HG1 VAL 30 9.256 -5.790 -5.444 1517 3HG1 VAL 30 3HG1 VAL 30 7.997 -5.006 -4.488 1518 1HG2 VAL 30 1HG2 VAL 30 7.733 -6.005 -1.947 1519 2HG2 VAL 30 2HG2 VAL 30 7.611 -7.760 -2.080 1520 3HG2 VAL 30 3HG2 VAL 30 6.655 -6.727 -3.143 1521 H LYS 31 H LYS 31 11.582 -8.076 -3.750 1522 HA LYS 31 HA LYS 31 12.345 -7.361 -6.366 1523 1HB LYS 31 1HB LYS 31 13.701 -6.952 -4.309 1524 2HB LYS 31 2HB LYS 31 14.042 -8.677 -4.236 1525 1HG LYS 31 1HG LYS 31 15.224 -8.581 -6.330 1526 2HG LYS 31 2HG LYS 31 14.781 -6.886 -6.541 1527 1HD LYS 31 1HD LYS 31 16.197 -6.179 -4.827 1528 2HD LYS 31 2HD LYS 31 16.301 -7.792 -4.121 1529 1HE LYS 31 1HE LYS 31 17.353 -8.329 -6.507 1530 2HE LYS 31 2HE LYS 31 17.764 -6.618 -6.419 1531 1HZ LYS 31 1HZ LYS 31 18.591 -7.317 -4.051 1532 2HZ LYS 31 2HZ LYS 31 19.572 -7.537 -5.412 1533 3HZ LYS 31 3HZ LYS 31 18.713 -8.845 -4.770 1534 H GLN 32 H GLN 32 12.340 -10.460 -4.648 1535 HA GLN 32 HA GLN 32 13.505 -11.986 -6.708 1536 1HB GLN 32 1HB GLN 32 13.252 -12.689 -4.310 1537 2HB GLN 32 2HB GLN 32 11.546 -12.966 -4.627 1538 1HG GLN 32 1HG GLN 32 12.344 -15.072 -4.921 1539 2HG GLN 32 2HG GLN 32 12.492 -14.465 -6.569 1540 1HE2 GLN 32 1HE2 GLN 32 14.244 -15.083 -3.590 1541 2HE2 GLN 32 2HE2 GLN 32 15.804 -15.231 -4.317 1542 H PHE 33 H PHE 33 10.084 -11.337 -5.893 1543 HA PHE 33 HA PHE 33 9.024 -12.940 -7.955 1544 1HB PHE 33 1HB PHE 33 7.543 -12.605 -6.247 1545 2HB PHE 33 2HB PHE 33 7.996 -10.924 -6.024 1546 HD1 PHE 33 HD1 PHE 33 6.496 -12.942 -8.826 1547 HD2 PHE 33 HD2 PHE 33 6.309 -9.493 -6.339 1548 HE1 PHE 33 HE1 PHE 33 4.435 -12.222 -9.976 1549 HE2 PHE 33 HE2 PHE 33 4.264 -8.763 -7.489 1550 HZ PHE 33 HZ PHE 33 3.324 -10.117 -9.312 1551 H PHE 34 H PHE 34 9.615 -9.426 -7.771 1552 HA PHE 34 HA PHE 34 8.608 -9.022 -10.415 1553 1HB PHE 34 1HB PHE 34 9.897 -7.259 -8.384 1554 2HB PHE 34 2HB PHE 34 9.758 -6.703 -10.054 1555 HD1 PHE 34 HD1 PHE 34 7.858 -7.784 -7.085 1556 HD2 PHE 34 HD2 PHE 34 7.664 -6.116 -10.996 1557 HE1 PHE 34 HE1 PHE 34 5.489 -7.219 -6.725 1558 HE2 PHE 34 HE2 PHE 34 5.300 -5.541 -10.640 1559 HZ PHE 34 HZ PHE 34 4.204 -6.103 -8.509 1560 H ASN 35 H ASN 35 11.827 -9.575 -9.102 1561 HA ASN 35 HA ASN 35 13.339 -8.731 -11.296 1562 1HB ASN 35 1HB ASN 35 13.784 -10.810 -9.183 1563 2HB ASN 35 2HB ASN 35 14.908 -10.696 -10.533 1564 1HD2 ASN 35 1HD2 ASN 35 13.285 -7.882 -9.239 1565 2HD2 ASN 35 2HD2 ASN 35 14.684 -7.177 -8.514 1566 H ASP 36 H ASP 36 11.409 -11.587 -10.849 1567 HA ASP 36 HA ASP 36 12.413 -13.189 -12.918 1568 1HB ASP 36 1HB ASP 36 9.716 -13.048 -11.585 1569 2HB ASP 36 2HB ASP 36 10.067 -14.215 -12.857 1570 H ASN 37 H ASN 37 10.608 -10.306 -13.077 1571 HA ASN 37 HA ASN 37 9.784 -10.892 -15.841 1572 1HB ASN 37 1HB ASN 37 8.191 -9.081 -15.680 1573 2HB ASN 37 2HB ASN 37 7.975 -10.178 -14.320 1574 1HD2 ASN 37 1HD2 ASN 37 7.672 -9.227 -12.462 1575 2HD2 ASN 37 2HD2 ASN 37 8.263 -7.674 -11.997 1576 H GLY 38 H GLY 38 11.999 -8.993 -14.006 1577 1HA GLY 38 1HA GLY 38 13.843 -8.221 -15.550 1578 2HA GLY 38 2HA GLY 38 12.570 -7.393 -16.425 1579 H VAL 39 H VAL 39 12.184 -7.366 -13.015 1580 HA VAL 39 HA VAL 39 12.796 -4.518 -12.992 1581 HB VAL 39 HB VAL 39 11.690 -6.179 -10.725 1582 1HG1 VAL 39 1HG1 VAL 39 12.656 -4.034 -10.058 1583 2HG1 VAL 39 2HG1 VAL 39 10.903 -4.030 -9.867 1584 3HG1 VAL 39 3HG1 VAL 39 11.642 -3.205 -11.240 1585 1HG2 VAL 39 1HG2 VAL 39 10.413 -5.095 -13.149 1586 2HG2 VAL 39 2HG2 VAL 39 9.570 -4.781 -11.632 1587 3HG2 VAL 39 3HG2 VAL 39 9.930 -6.439 -12.113 1588 H ASP 40 H ASP 40 14.344 -3.541 -11.703 1589 HA ASP 40 HA ASP 40 15.954 -5.114 -9.896 1590 1HB ASP 40 1HB ASP 40 17.014 -4.156 -12.543 1591 2HB ASP 40 2HB ASP 40 18.084 -4.383 -11.163 1592 H GLY 41 H GLY 41 18.010 -3.616 -9.327 1593 1HA GLY 41 1HA GLY 41 18.635 -1.231 -9.114 1594 2HA GLY 41 2HA GLY 41 16.925 -0.903 -8.872 1595 H GLU 42 H GLU 42 17.112 0.017 -6.847 1596 HA GLU 42 HA GLU 42 17.538 -1.878 -4.682 1597 1HB GLU 42 1HB GLU 42 19.103 0.694 -4.933 1598 2HB GLU 42 2HB GLU 42 19.002 -0.259 -3.458 1599 1HG GLU 42 1HG GLU 42 19.868 -2.195 -4.935 1600 2HG GLU 42 2HG GLU 42 20.361 -0.910 -6.037 1601 H TRP 43 H TRP 43 16.699 -1.153 -2.641 1602 HA TRP 43 HA TRP 43 14.290 0.349 -2.938 1603 1HB TRP 43 1HB TRP 43 15.652 -0.909 -0.562 1604 2HB TRP 43 2HB TRP 43 14.147 -0.005 -0.419 1605 HD1 TRP 43 HD1 TRP 43 15.508 -3.367 -1.428 1606 HE1 TRP 43 HE1 TRP 43 13.564 -4.919 -2.090 1607 HE3 TRP 43 HE3 TRP 43 11.728 0.073 -1.554 1608 HZ2 TRP 43 HZ2 TRP 43 10.795 -4.712 -2.599 1609 HZ3 TRP 43 HZ3 TRP 43 9.461 -0.686 -2.138 1610 HH2 TRP 43 HH2 TRP 43 9.006 -3.029 -2.650 1611 H THR 44 H THR 44 14.067 2.434 -2.885 1612 HA THR 44 HA THR 44 16.038 4.037 -1.401 1613 HB THR 44 HB THR 44 15.543 5.865 -2.957 1614 HG1 THR 44 HG1 THR 44 14.029 5.712 -4.458 1615 1HG2 THR 44 1HG2 THR 44 17.189 3.923 -3.541 1616 2HG2 THR 44 2HG2 THR 44 16.777 5.150 -4.738 1617 3HG2 THR 44 3HG2 THR 44 15.995 3.570 -4.790 1618 H TYR 45 H TYR 45 15.341 5.587 -0.029 1619 HA TYR 45 HA TYR 45 12.743 5.283 1.106 1620 1HB TYR 45 1HB TYR 45 15.064 7.109 1.635 1621 2HB TYR 45 2HB TYR 45 13.511 7.412 2.405 1622 HD1 TYR 45 HD1 TYR 45 16.500 5.374 2.400 1623 HD2 TYR 45 HD2 TYR 45 12.544 5.692 3.932 1624 HE1 TYR 45 HE1 TYR 45 17.053 3.740 4.154 1625 HE2 TYR 45 HE2 TYR 45 13.086 4.060 5.689 1626 HH TYR 45 HH TYR 45 15.923 3.317 6.698 1627 H ASP 46 H ASP 46 10.986 6.658 1.067 1628 HA ASP 46 HA ASP 46 10.627 8.178 -1.323 1629 1HB ASP 46 1HB ASP 46 8.939 7.628 1.101 1630 2HB ASP 46 2HB ASP 46 8.437 8.841 -0.071 1631 H ASP 47 H ASP 47 9.912 10.437 -1.368 1632 HA ASP 47 HA ASP 47 11.734 12.143 -0.043 1633 1HB ASP 47 1HB ASP 47 10.530 12.503 -2.291 1634 2HB ASP 47 2HB ASP 47 9.175 13.082 -1.327 1635 H ALA 48 H ALA 48 11.632 13.121 1.878 1636 HA ALA 48 HA ALA 48 9.763 12.497 3.817 1637 1HB ALA 48 1HB ALA 48 12.070 13.452 4.144 1638 2HB ALA 48 2HB ALA 48 10.814 14.103 5.197 1639 3HB ALA 48 3HB ALA 48 11.371 15.036 3.808 1640 H THR 49 H THR 49 7.983 13.458 4.674 1641 HA THR 49 HA THR 49 6.933 15.880 3.399 1642 HB THR 49 HB THR 49 5.261 13.409 3.891 1643 HG1 THR 49 HG1 THR 49 6.068 12.763 2.077 1644 1HG2 THR 49 1HG2 THR 49 3.565 14.500 2.580 1645 2HG2 THR 49 2HG2 THR 49 4.610 15.898 2.333 1646 3HG2 THR 49 3HG2 THR 49 4.007 15.521 3.948 1647 H LYS 50 H LYS 50 5.304 16.982 4.685 1648 HA LYS 50 HA LYS 50 5.335 16.190 7.522 1649 1HB LYS 50 1HB LYS 50 5.742 18.942 6.354 1650 2HB LYS 50 2HB LYS 50 5.357 18.665 8.047 1651 1HG LYS 50 1HG LYS 50 7.407 17.208 8.160 1652 2HG LYS 50 2HG LYS 50 7.820 17.814 6.552 1653 1HD LYS 50 1HD LYS 50 7.184 19.754 8.730 1654 2HD LYS 50 2HD LYS 50 8.769 18.979 8.699 1655 1HE LYS 50 1HE LYS 50 9.282 19.886 6.584 1656 2HE LYS 50 2HE LYS 50 7.608 20.357 6.294 1657 1HZ LYS 50 1HZ LYS 50 7.768 22.123 7.772 1658 2HZ LYS 50 2HZ LYS 50 9.259 22.158 6.975 1659 3HZ LYS 50 3HZ LYS 50 9.149 21.509 8.533 1660 H THR 51 H THR 51 3.384 15.894 8.320 1661 HA THR 51 HA THR 51 1.087 17.155 6.986 1662 HB THR 51 HB THR 51 1.345 14.614 8.599 1663 HG1 THR 51 HG1 THR 51 0.596 13.707 6.654 1664 1HG2 THR 51 1HG2 THR 51 -1.070 14.251 8.038 1665 2HG2 THR 51 2HG2 THR 51 -1.167 15.969 7.656 1666 3HG2 THR 51 3HG2 THR 51 -0.757 15.450 9.291 1667 H PHE 52 H PHE 52 -0.247 18.493 8.091 1668 HA PHE 52 HA PHE 52 0.590 19.373 10.711 1669 1HB PHE 52 1HB PHE 52 -0.143 20.971 8.951 1670 2HB PHE 52 2HB PHE 52 -1.765 20.295 9.051 1671 HD1 PHE 52 HD1 PHE 52 0.771 22.294 10.795 1672 HD2 PHE 52 HD2 PHE 52 -3.223 20.826 10.870 1673 HE1 PHE 52 HE1 PHE 52 0.232 23.866 12.609 1674 HE2 PHE 52 HE2 PHE 52 -3.770 22.397 12.684 1675 HZ PHE 52 HZ PHE 52 -2.041 23.919 13.556 1676 H THR 53 H THR 53 -0.077 18.408 12.518 1677 HA THR 53 HA THR 53 -2.523 16.827 12.494 1678 HB THR 53 HB THR 53 -0.454 17.202 14.671 1679 HG1 THR 53 HG1 THR 53 0.177 15.092 14.017 1680 1HG2 THR 53 1HG2 THR 53 -2.312 16.451 15.828 1681 2HG2 THR 53 2HG2 THR 53 -1.452 14.964 15.430 1682 3HG2 THR 53 3HG2 THR 53 -2.864 15.446 14.489 1683 H VAL 54 H VAL 54 -4.415 17.572 13.214 1684 HA VAL 54 HA VAL 54 -4.661 20.219 14.238 1685 HB VAL 54 HB VAL 54 -6.834 18.141 14.359 1686 1HG1 VAL 54 1HG1 VAL 54 -6.701 21.124 14.331 1687 2HG1 VAL 54 2HG1 VAL 54 -7.610 20.051 15.394 1688 3HG1 VAL 54 3HG1 VAL 54 -8.141 20.302 13.730 1689 1HG2 VAL 54 1HG2 VAL 54 -6.269 17.875 12.142 1690 2HG2 VAL 54 2HG2 VAL 54 -5.686 19.531 11.980 1691 3HG2 VAL 54 3HG2 VAL 54 -7.420 19.208 12.043 1692 H THR 55 H THR 55 -5.615 20.832 16.267 1693 HA THR 55 HA THR 55 -5.567 18.877 18.416 1694 HB THR 55 HB THR 55 -3.866 21.369 18.525 1695 HG1 THR 55 HG1 THR 55 -3.205 18.651 18.130 1696 1HG2 THR 55 1HG2 THR 55 -4.332 19.162 20.499 1697 2HG2 THR 55 2HG2 THR 55 -4.512 20.901 20.730 1698 3HG2 THR 55 3HG2 THR 55 -2.905 20.197 20.545 1699 H GLU 56 H GLU 56 -5.518 22.418 18.158 1700 HA GLU 56 HA GLU 56 -6.936 24.029 18.913 1701 1HB GLU 56 1HB GLU 56 -9.027 21.866 18.609 1702 2HB GLU 56 2HB GLU 56 -9.340 23.590 18.753 1703 1HG GLU 56 1HG GLU 56 -8.387 24.036 16.638 1704 2HG GLU 56 2HG GLU 56 -7.702 22.415 16.528 Start of MODEL 3 1 1H MET 1 1H MET 1 10.394 20.462 -1.084 2 2H MET 1 2H MET 1 11.191 21.223 0.231 3 3H MET 1 3H MET 1 9.671 21.808 -0.309 4 HA MET 1 HA MET 1 10.059 19.087 0.711 5 1HB MET 1 1HB MET 1 9.812 21.691 2.118 6 2HB MET 1 2HB MET 1 8.851 20.361 2.749 7 1HG MET 1 1HG MET 1 11.643 19.679 2.196 8 2HG MET 1 2HG MET 1 11.422 20.908 3.439 9 1HE MET 1 1HE MET 1 9.168 16.898 3.717 10 2HE MET 1 2HE MET 1 9.987 17.430 2.248 11 3HE MET 1 3HE MET 1 8.585 18.318 2.847 12 H GLN 2 H GLN 2 8.163 17.971 0.919 13 HA GLN 2 HA GLN 2 5.882 19.067 -0.523 14 1HB GLN 2 1HB GLN 2 6.790 16.742 -0.933 15 2HB GLN 2 2HB GLN 2 6.167 16.299 0.650 16 1HG GLN 2 1HG GLN 2 4.574 15.595 -0.943 17 2HG GLN 2 2HG GLN 2 3.903 17.015 -0.142 18 1HE2 GLN 2 1HE2 GLN 2 5.040 15.667 -3.093 19 2HE2 GLN 2 2HE2 GLN 2 4.636 17.001 -4.115 20 H TYR 3 H TYR 3 4.180 19.942 0.455 21 HA TYR 3 HA TYR 3 3.816 19.423 3.327 22 1HB TYR 3 1HB TYR 3 3.320 21.840 1.632 23 2HB TYR 3 2HB TYR 3 2.421 21.618 3.129 24 HD1 TYR 3 HD1 TYR 3 5.665 22.392 1.658 25 HD2 TYR 3 HD2 TYR 3 3.585 21.628 5.290 26 HE1 TYR 3 HE1 TYR 3 7.554 23.322 2.929 27 HE2 TYR 3 HE2 TYR 3 5.467 22.557 6.571 28 HH TYR 3 HH TYR 3 7.871 22.946 6.290 29 H LYS 4 H LYS 4 2.036 18.597 4.078 30 HA LYS 4 HA LYS 4 -0.174 18.035 2.211 31 1HB LYS 4 1HB LYS 4 0.929 16.581 4.577 32 2HB LYS 4 2HB LYS 4 -0.772 16.379 4.183 33 1HG LYS 4 1HG LYS 4 0.116 15.874 1.792 34 2HG LYS 4 2HG LYS 4 1.639 15.566 2.628 35 1HD LYS 4 1HD LYS 4 0.317 14.026 4.156 36 2HD LYS 4 2HD LYS 4 -1.001 14.172 2.992 37 1HE LYS 4 1HE LYS 4 0.313 13.202 1.261 38 2HE LYS 4 2HE LYS 4 1.777 13.292 2.238 39 1HZ LYS 4 1HZ LYS 4 0.613 11.740 3.819 40 2HZ LYS 4 2HZ LYS 4 1.062 11.072 2.331 41 3HZ LYS 4 3HZ LYS 4 -0.549 11.501 2.613 42 H VAL 5 H VAL 5 -2.145 18.878 2.539 43 HA VAL 5 HA VAL 5 -2.860 19.899 5.187 44 HB VAL 5 HB VAL 5 -3.206 21.600 2.716 45 1HG1 VAL 5 1HG1 VAL 5 -3.299 22.635 5.505 46 2HG1 VAL 5 2HG1 VAL 5 -4.688 21.737 4.891 47 3HG1 VAL 5 3HG1 VAL 5 -4.143 23.196 4.060 48 1HG2 VAL 5 1HG2 VAL 5 -1.445 23.043 3.936 49 2HG2 VAL 5 2HG2 VAL 5 -0.898 21.648 3.005 50 3HG2 VAL 5 3HG2 VAL 5 -1.016 21.544 4.762 51 H ILE 6 H ILE 6 -4.895 19.386 5.712 52 HA ILE 6 HA ILE 6 -6.638 18.308 3.627 53 HB ILE 6 HB ILE 6 -7.078 18.215 6.608 54 1HG1 ILE 6 1HG1 ILE 6 -5.827 16.111 4.830 55 2HG1 ILE 6 2HG1 ILE 6 -4.944 17.121 5.971 56 1HG2 ILE 6 1HG2 ILE 6 -8.628 16.435 6.109 57 2HG2 ILE 6 2HG2 ILE 6 -8.221 16.518 4.396 58 3HG2 ILE 6 3HG2 ILE 6 -9.055 17.864 5.169 59 1HD1 ILE 6 1HD1 ILE 6 -7.206 15.387 6.879 60 2HD1 ILE 6 2HD1 ILE 6 -5.864 16.048 7.811 61 3HD1 ILE 6 3HD1 ILE 6 -5.580 14.738 6.666 62 H LEU 7 H LEU 7 -8.295 19.469 2.833 63 HA LEU 7 HA LEU 7 -9.542 21.494 4.545 64 1HB LEU 7 1HB LEU 7 -8.199 21.909 1.941 65 2HB LEU 7 2HB LEU 7 -9.751 22.701 2.131 66 HG LEU 7 HG LEU 7 -8.671 23.520 4.406 67 1HD1 LEU 7 1HD1 LEU 7 -6.577 22.095 3.580 68 2HD1 LEU 7 2HD1 LEU 7 -6.410 23.565 4.540 69 3HD1 LEU 7 3HD1 LEU 7 -6.194 23.625 2.790 70 1HD2 LEU 7 1HD2 LEU 7 -8.551 25.563 3.427 71 2HD2 LEU 7 2HD2 LEU 7 -9.342 24.711 2.102 72 3HD2 LEU 7 3HD2 LEU 7 -7.600 24.975 2.063 73 H ASN 8 H ASN 8 -11.609 20.924 4.756 74 HA ASN 8 HA ASN 8 -13.193 20.343 2.411 75 1HB ASN 8 1HB ASN 8 -14.121 18.232 3.440 76 2HB ASN 8 2HB ASN 8 -12.468 18.110 2.843 77 1HD2 ASN 8 1HD2 ASN 8 -14.535 17.958 5.570 78 2HD2 ASN 8 2HD2 ASN 8 -13.336 17.523 6.736 79 H GLY 9 H GLY 9 -14.682 21.883 2.732 80 1HA GLY 9 1HA GLY 9 -15.642 22.511 5.392 81 2HA GLY 9 2HA GLY 9 -16.117 23.301 3.895 82 H LYS 10 H LYS 10 -16.788 20.732 6.128 83 HA LYS 10 HA LYS 10 -19.305 20.199 4.688 84 1HB LYS 10 1HB LYS 10 -17.426 18.296 6.057 85 2HB LYS 10 2HB LYS 10 -19.127 17.897 5.866 86 1HG LYS 10 1HG LYS 10 -18.957 17.990 3.486 87 2HG LYS 10 2HG LYS 10 -17.314 18.629 3.581 88 1HD LYS 10 1HD LYS 10 -16.544 16.546 4.579 89 2HD LYS 10 2HD LYS 10 -18.189 15.909 4.551 90 1HE LYS 10 1HE LYS 10 -18.212 15.738 2.224 91 2HE LYS 10 2HE LYS 10 -16.855 16.847 2.037 92 1HZ LYS 10 1HZ LYS 10 -16.719 14.094 3.141 93 2HZ LYS 10 2HZ LYS 10 -15.411 15.159 3.022 94 3HZ LYS 10 3HZ LYS 10 -16.165 14.587 1.621 95 H THR 11 H THR 11 -20.836 18.943 6.338 96 HA THR 11 HA THR 11 -21.266 20.825 8.498 97 HB THR 11 HB THR 11 -22.966 18.407 7.956 98 HG1 THR 11 HG1 THR 11 -23.133 19.179 6.000 99 1HG2 THR 11 1HG2 THR 11 -24.712 20.331 8.390 100 2HG2 THR 11 2HG2 THR 11 -23.352 21.036 9.262 101 3HG2 THR 11 3HG2 THR 11 -23.958 19.443 9.712 102 H LEU 12 H LEU 12 -19.507 20.297 9.867 103 HA LEU 12 HA LEU 12 -19.340 17.631 10.984 104 1HB LEU 12 1HB LEU 12 -17.799 20.174 11.431 105 2HB LEU 12 2HB LEU 12 -17.555 18.756 12.433 106 HG LEU 12 HG LEU 12 -17.291 18.591 9.447 107 1HD1 LEU 12 1HD1 LEU 12 -15.831 20.406 10.185 108 2HD1 LEU 12 2HD1 LEU 12 -14.901 18.994 9.683 109 3HD1 LEU 12 3HD1 LEU 12 -15.120 19.342 11.398 110 1HD2 LEU 12 1HD2 LEU 12 -17.448 16.538 10.876 111 2HD2 LEU 12 2HD2 LEU 12 -15.939 17.033 11.640 112 3HD2 LEU 12 3HD2 LEU 12 -15.974 16.664 9.917 113 H LYS 13 H LYS 13 -20.704 20.721 11.829 114 HA LYS 13 HA LYS 13 -21.315 19.757 14.536 115 1HB LYS 13 1HB LYS 13 -21.267 22.502 13.306 116 2HB LYS 13 2HB LYS 13 -22.056 22.194 14.847 117 1HG LYS 13 1HG LYS 13 -20.063 21.736 15.924 118 2HG LYS 13 2HG LYS 13 -19.218 21.366 14.420 119 1HD LYS 13 1HD LYS 13 -20.254 24.119 15.042 120 2HD LYS 13 2HD LYS 13 -18.653 23.579 15.553 121 1HE LYS 13 1HE LYS 13 -18.408 22.901 13.039 122 2HE LYS 13 2HE LYS 13 -19.707 24.070 12.803 123 1HZ LYS 13 1HZ LYS 13 -18.362 25.773 13.780 124 2HZ LYS 13 2HZ LYS 13 -17.463 25.026 12.558 125 3HZ LYS 13 3HZ LYS 13 -17.145 24.667 14.181 126 H GLY 14 H GLY 14 -23.511 20.768 15.332 127 1HA GLY 14 1HA GLY 14 -25.541 19.755 13.481 128 2HA GLY 14 2HA GLY 14 -25.756 20.035 15.203 129 H GLU 15 H GLU 15 -24.632 22.686 15.195 130 HA GLU 15 HA GLU 15 -26.977 24.123 14.303 131 1HB GLU 15 1HB GLU 15 -24.477 25.140 15.671 132 2HB GLU 15 2HB GLU 15 -25.965 26.047 15.435 133 1HG GLU 15 1HG GLU 15 -26.574 25.340 17.445 134 2HG GLU 15 2HG GLU 15 -26.802 23.751 16.717 135 H THR 16 H THR 16 -27.148 25.331 12.520 136 HA THR 16 HA THR 16 -26.686 26.059 10.412 137 HB THR 16 HB THR 16 -25.915 27.903 11.863 138 HG1 THR 16 HG1 THR 16 -25.792 28.525 9.825 139 1HG2 THR 16 1HG2 THR 16 -24.082 27.243 13.080 140 2HG2 THR 16 2HG2 THR 16 -23.352 28.236 11.815 141 3HG2 THR 16 3HG2 THR 16 -23.305 26.474 11.693 142 H THR 17 H THR 17 -24.443 26.575 8.959 143 HA THR 17 HA THR 17 -22.965 24.034 8.898 144 HB THR 17 HB THR 17 -23.766 25.348 6.333 145 HG1 THR 17 HG1 THR 17 -25.771 25.028 6.861 146 1HG2 THR 17 1HG2 THR 17 -22.605 22.830 7.133 147 2HG2 THR 17 2HG2 THR 17 -22.691 23.584 5.541 148 3HG2 THR 17 3HG2 THR 17 -24.036 22.607 6.128 149 H THR 18 H THR 18 -23.094 27.143 7.150 150 HA THR 18 HA THR 18 -21.477 28.611 6.526 151 HB THR 18 HB THR 18 -19.906 29.280 8.152 152 HG1 THR 18 HG1 THR 18 -20.168 26.787 9.464 153 1HG2 THR 18 1HG2 THR 18 -21.824 28.023 10.039 154 2HG2 THR 18 2HG2 THR 18 -22.414 29.217 8.884 155 3HG2 THR 18 3HG2 THR 18 -21.144 29.650 10.028 156 H GLU 19 H GLU 19 -18.800 28.694 6.483 157 HA GLU 19 HA GLU 19 -17.721 26.151 5.611 158 1HB GLU 19 1HB GLU 19 -18.090 28.462 3.697 159 2HB GLU 19 2HB GLU 19 -17.062 27.072 3.379 160 1HG GLU 19 1HG GLU 19 -19.100 25.633 3.671 161 2HG GLU 19 2HG GLU 19 -20.048 27.118 3.693 162 H ALA 20 H ALA 20 -15.536 26.055 5.791 163 HA ALA 20 HA ALA 20 -14.081 28.556 6.290 164 1HB ALA 20 1HB ALA 20 -13.780 28.042 8.429 165 2HB ALA 20 2HB ALA 20 -12.916 26.583 7.938 166 3HB ALA 20 3HB ALA 20 -14.658 26.527 8.216 167 H VAL 21 H VAL 21 -13.353 25.090 6.235 168 HA VAL 21 HA VAL 21 -11.028 25.625 4.559 169 HB VAL 21 HB VAL 21 -10.559 23.154 4.963 170 1HG1 VAL 21 1HG1 VAL 21 -10.634 24.469 7.608 171 2HG1 VAL 21 2HG1 VAL 21 -9.813 25.338 6.312 172 3HG1 VAL 21 3HG1 VAL 21 -9.290 23.713 6.753 173 1HG2 VAL 21 1HG2 VAL 21 -12.920 22.624 5.635 174 2HG2 VAL 21 2HG2 VAL 21 -12.609 23.475 7.147 175 3HG2 VAL 21 3HG2 VAL 21 -11.681 22.032 6.741 176 H ASP 22 H ASP 22 -12.250 26.090 2.641 177 HA ASP 22 HA ASP 22 -13.588 23.803 1.384 178 1HB ASP 22 1HB ASP 22 -14.739 26.022 1.464 179 2HB ASP 22 2HB ASP 22 -13.452 26.677 0.453 180 H ALA 23 H ALA 23 -12.938 22.909 -0.479 181 HA ALA 23 HA ALA 23 -10.280 22.679 -1.104 182 1HB ALA 23 1HB ALA 23 -11.121 21.112 -2.428 183 2HB ALA 23 2HB ALA 23 -11.830 22.334 -3.486 184 3HB ALA 23 3HB ALA 23 -12.733 21.741 -2.089 185 H ALA 24 H ALA 24 -12.634 24.915 -2.513 186 HA ALA 24 HA ALA 24 -10.895 26.036 -4.451 187 1HB ALA 24 1HB ALA 24 -12.586 27.729 -4.743 188 2HB ALA 24 2HB ALA 24 -13.342 27.289 -3.211 189 3HB ALA 24 3HB ALA 24 -13.364 26.156 -4.564 190 H THR 25 H THR 25 -11.478 26.683 -1.069 191 HA THR 25 HA THR 25 -10.401 29.274 -0.904 192 HB THR 25 HB THR 25 -10.499 27.057 1.154 193 HG1 THR 25 HG1 THR 25 -12.384 27.947 1.758 194 1HG2 THR 25 1HG2 THR 25 -9.188 28.337 2.407 195 2HG2 THR 25 2HG2 THR 25 -10.620 29.357 2.580 196 3HG2 THR 25 3HG2 THR 25 -9.401 29.747 1.365 197 H PHE 26 H PHE 26 -8.918 26.089 -0.727 198 HA PHE 26 HA PHE 26 -6.321 26.984 -0.028 199 1HB PHE 26 1HB PHE 26 -7.286 24.595 0.105 200 2HB PHE 26 2HB PHE 26 -6.846 24.472 -1.596 201 HD1 PHE 26 HD1 PHE 26 -5.468 25.179 1.770 202 HD2 PHE 26 HD2 PHE 26 -4.657 23.963 -2.226 203 HE1 PHE 26 HE1 PHE 26 -3.164 24.608 2.416 204 HE2 PHE 26 HE2 PHE 26 -2.352 23.388 -1.588 205 HZ PHE 26 HZ PHE 26 -1.602 23.710 0.736 206 H GLU 27 H GLU 27 -7.808 26.146 -3.140 207 HA GLU 27 HA GLU 27 -5.572 26.519 -4.756 208 1HB GLU 27 1HB GLU 27 -8.470 27.019 -5.447 209 2HB GLU 27 2HB GLU 27 -7.165 26.813 -6.607 210 1HG GLU 27 1HG GLU 27 -6.789 24.535 -5.571 211 2HG GLU 27 2HG GLU 27 -8.324 24.773 -4.738 212 H LYS 28 H LYS 28 -8.144 28.875 -4.000 213 HA LYS 28 HA LYS 28 -6.995 30.980 -5.469 214 1HB LYS 28 1HB LYS 28 -9.390 30.774 -4.678 215 2HB LYS 28 2HB LYS 28 -8.824 31.301 -3.098 216 1HG LYS 28 1HG LYS 28 -7.873 33.335 -4.313 217 2HG LYS 28 2HG LYS 28 -8.880 32.834 -5.674 218 1HD LYS 28 1HD LYS 28 -10.057 33.129 -2.935 219 2HD LYS 28 2HD LYS 28 -9.817 34.544 -3.963 220 1HE LYS 28 1HE LYS 28 -11.100 33.333 -5.752 221 2HE LYS 28 2HE LYS 28 -11.489 32.107 -4.545 222 1HZ LYS 28 1HZ LYS 28 -12.198 34.987 -4.393 223 2HZ LYS 28 2HZ LYS 28 -12.543 33.835 -3.205 224 3HZ LYS 28 3HZ LYS 28 -13.263 33.717 -4.730 225 H VAL 29 H VAL 29 -6.918 30.357 -1.936 226 HA VAL 29 HA VAL 29 -5.411 32.630 -1.284 227 HB VAL 29 HB VAL 29 -5.481 29.982 0.175 228 1HG1 VAL 29 1HG1 VAL 29 -4.754 32.734 1.188 229 2HG1 VAL 29 2HG1 VAL 29 -3.616 31.421 0.877 230 3HG1 VAL 29 3HG1 VAL 29 -4.831 31.256 2.148 231 1HG2 VAL 29 1HG2 VAL 29 -7.646 31.445 -0.352 232 2HG2 VAL 29 2HG2 VAL 29 -7.074 32.314 1.073 233 3HG2 VAL 29 3HG2 VAL 29 -7.428 30.589 1.175 234 H VAL 30 H VAL 30 -4.395 29.347 -2.125 235 HA VAL 30 HA VAL 30 -1.642 29.846 -1.592 236 HB VAL 30 HB VAL 30 -2.876 27.619 -3.218 237 1HG1 VAL 30 1HG1 VAL 30 -0.783 26.414 -2.779 238 2HG1 VAL 30 2HG1 VAL 30 -0.124 27.849 -1.997 239 3HG1 VAL 30 3HG1 VAL 30 -0.504 27.879 -3.717 240 1HG2 VAL 30 1HG2 VAL 30 -3.029 26.357 -1.282 241 2HG2 VAL 30 2HG2 VAL 30 -3.500 27.960 -0.724 242 3HG2 VAL 30 3HG2 VAL 30 -1.872 27.362 -0.412 243 H LYS 31 H LYS 31 -3.541 29.777 -4.644 244 HA LYS 31 HA LYS 31 -1.330 30.155 -6.327 245 1HB LYS 31 1HB LYS 31 -3.763 29.494 -6.892 246 2HB LYS 31 2HB LYS 31 -4.086 31.222 -6.900 247 1HG LYS 31 1HG LYS 31 -1.764 30.444 -8.496 248 2HG LYS 31 2HG LYS 31 -3.287 29.749 -9.050 249 1HD LYS 31 1HD LYS 31 -4.183 32.180 -8.779 250 2HD LYS 31 2HD LYS 31 -2.475 32.620 -8.849 251 1HE LYS 31 1HE LYS 31 -2.234 31.653 -11.011 252 2HE LYS 31 2HE LYS 31 -3.824 30.896 -10.917 253 1HZ LYS 31 1HZ LYS 31 -3.392 33.833 -10.922 254 2HZ LYS 31 2HZ LYS 31 -4.866 33.016 -11.056 255 3HZ LYS 31 3HZ LYS 31 -3.736 32.929 -12.311 256 H GLN 32 H GLN 32 -3.570 32.458 -4.831 257 HA GLN 32 HA GLN 32 -2.447 34.770 -5.984 258 1HB GLN 32 1HB GLN 32 -4.703 34.617 -4.901 259 2HB GLN 32 2HB GLN 32 -3.894 34.592 -3.341 260 1HG GLN 32 1HG GLN 32 -4.393 36.806 -3.505 261 2HG GLN 32 2HG GLN 32 -2.786 36.794 -4.233 262 1HE2 GLN 32 1HE2 GLN 32 -2.620 36.879 -6.523 263 2HE2 GLN 32 2HE2 GLN 32 -3.888 37.570 -7.473 264 H PHE 33 H PHE 33 -1.827 33.155 -2.850 265 HA PHE 33 HA PHE 33 0.008 35.101 -1.947 266 1HB PHE 33 1HB PHE 33 -0.929 33.873 -0.231 267 2HB PHE 33 2HB PHE 33 -0.824 32.360 -1.110 268 HD1 PHE 33 HD1 PHE 33 1.646 34.896 0.131 269 HD2 PHE 33 HD2 PHE 33 0.455 30.818 -0.094 270 HE1 PHE 33 HE1 PHE 33 3.631 34.246 1.440 271 HE2 PHE 33 HE2 PHE 33 2.440 30.160 1.203 272 HZ PHE 33 HZ PHE 33 4.032 31.868 1.967 273 H PHE 34 H PHE 34 0.485 31.950 -3.535 274 HA PHE 34 HA PHE 34 3.322 32.212 -3.456 275 1HB PHE 34 1HB PHE 34 1.447 30.214 -4.631 276 2HB PHE 34 2HB PHE 34 3.143 30.207 -5.123 277 HD1 PHE 34 HD1 PHE 34 0.848 29.845 -2.262 278 HD2 PHE 34 HD2 PHE 34 4.862 29.511 -3.637 279 HE1 PHE 34 HE1 PHE 34 1.467 28.709 -0.171 280 HE2 PHE 34 HE2 PHE 34 5.486 28.372 -1.550 281 HZ PHE 34 HZ PHE 34 3.792 27.979 0.193 282 H ASN 35 H ASN 35 0.886 33.037 -5.840 283 HA ASN 35 HA ASN 35 2.542 33.293 -8.083 284 1HB ASN 35 1HB ASN 35 -0.021 34.599 -7.257 285 2HB ASN 35 2HB ASN 35 0.836 35.212 -8.667 286 1HD2 ASN 35 1HD2 ASN 35 0.899 31.807 -7.794 287 2HD2 ASN 35 2HD2 ASN 35 -0.071 31.269 -9.115 288 H ASP 36 H ASP 36 2.175 35.320 -5.290 289 HA ASP 36 HA ASP 36 3.324 37.694 -6.243 290 1HB ASP 36 1HB ASP 36 3.236 36.516 -3.464 291 2HB ASP 36 2HB ASP 36 3.800 38.146 -3.821 292 H ASN 37 H ASN 37 4.779 34.661 -5.606 293 HA ASN 37 HA ASN 37 7.439 35.911 -5.423 294 1HB ASN 37 1HB ASN 37 8.271 33.812 -4.526 295 2HB ASN 37 2HB ASN 37 6.891 34.369 -3.587 296 1HD2 ASN 37 1HD2 ASN 37 5.479 32.881 -3.093 297 2HD2 ASN 37 2HD2 ASN 37 5.169 31.429 -3.975 298 H GLY 38 H GLY 38 5.426 34.044 -7.525 299 1HA GLY 38 1HA GLY 38 6.354 34.246 -9.874 300 2HA GLY 38 2HA GLY 38 7.778 33.462 -9.218 301 H VAL 39 H VAL 39 4.817 32.266 -7.941 302 HA VAL 39 HA VAL 39 5.220 29.784 -9.406 303 HB VAL 39 HB VAL 39 3.178 30.360 -7.255 304 1HG1 VAL 39 1HG1 VAL 39 3.516 27.790 -6.999 305 2HG1 VAL 39 2HG1 VAL 39 4.107 27.890 -8.658 306 3HG1 VAL 39 3HG1 VAL 39 2.467 28.412 -8.273 307 1HG2 VAL 39 1HG2 VAL 39 6.066 29.817 -7.107 308 2HG2 VAL 39 2HG2 VAL 39 5.057 28.843 -6.037 309 3HG2 VAL 39 3HG2 VAL 39 4.996 30.602 -5.946 310 H ASP 40 H ASP 40 3.730 28.839 -10.779 311 HA ASP 40 HA ASP 40 1.183 30.119 -11.278 312 1HB ASP 40 1HB ASP 40 3.313 30.016 -13.425 313 2HB ASP 40 2HB ASP 40 1.631 30.470 -13.687 314 H GLY 41 H GLY 41 0.269 28.985 -13.443 315 1HA GLY 41 1HA GLY 41 0.278 26.857 -14.661 316 2HA GLY 41 2HA GLY 41 0.836 26.094 -13.180 317 H GLU 42 H GLU 42 -0.824 24.646 -12.928 318 HA GLU 42 HA GLU 42 -3.321 25.764 -11.968 319 1HB GLU 42 1HB GLU 42 -3.164 23.981 -14.392 320 2HB GLU 42 2HB GLU 42 -4.628 24.134 -13.430 321 1HG GLU 42 1HG GLU 42 -5.088 25.726 -14.953 322 2HG GLU 42 2HG GLU 42 -4.138 26.720 -13.850 323 H TRP 43 H TRP 43 -4.675 24.173 -10.896 324 HA TRP 43 HA TRP 43 -3.110 22.323 -9.375 325 1HB TRP 43 1HB TRP 43 -6.064 22.936 -9.417 326 2HB TRP 43 2HB TRP 43 -5.333 21.768 -8.318 327 HD1 TRP 43 HD1 TRP 43 -5.768 25.492 -8.863 328 HE1 TRP 43 HE1 TRP 43 -4.837 26.759 -6.825 329 HE3 TRP 43 HE3 TRP 43 -3.485 21.600 -6.459 330 HZ2 TRP 43 HZ2 TRP 43 -3.335 26.185 -4.508 331 HZ3 TRP 43 HZ3 TRP 43 -2.321 22.045 -4.338 332 HH2 TRP 43 HH2 TRP 43 -2.248 24.291 -3.384 333 H THR 44 H THR 44 -2.582 20.378 -9.924 334 HA THR 44 HA THR 44 -4.305 18.910 -11.801 335 HB THR 44 HB THR 44 -2.323 17.641 -12.444 336 HG1 THR 44 HG1 THR 44 -0.714 17.582 -11.129 337 1HG2 THR 44 1HG2 THR 44 -2.799 20.071 -13.331 338 2HG2 THR 44 2HG2 THR 44 -1.344 19.186 -13.790 339 3HG2 THR 44 3HG2 THR 44 -1.269 20.410 -12.522 340 H TYR 45 H TYR 45 -4.930 16.878 -11.333 341 HA TYR 45 HA TYR 45 -5.105 16.142 -8.589 342 1HB TYR 45 1HB TYR 45 -5.965 14.862 -11.162 343 2HB TYR 45 2HB TYR 45 -6.047 13.957 -9.654 344 HD1 TYR 45 HD1 TYR 45 -7.573 16.525 -11.685 345 HD2 TYR 45 HD2 TYR 45 -7.488 14.806 -7.795 346 HE1 TYR 45 HE1 TYR 45 -9.736 17.579 -11.178 347 HE2 TYR 45 HE2 TYR 45 -9.650 15.854 -7.277 348 HH TYR 45 HH TYR 45 -11.617 17.292 -9.670 349 H ASP 46 H ASP 46 -4.130 14.482 -7.469 350 HA ASP 46 HA ASP 46 -1.480 13.795 -8.272 351 1HB ASP 46 1HB ASP 46 -3.231 13.069 -5.939 352 2HB ASP 46 2HB ASP 46 -1.692 12.252 -6.186 353 H ASP 47 H ASP 47 -0.663 11.580 -8.447 354 HA ASP 47 HA ASP 47 -2.153 10.039 -10.294 355 1HB ASP 47 1HB ASP 47 0.411 10.173 -9.969 356 2HB ASP 47 2HB ASP 47 0.171 8.948 -8.727 357 H ALA 48 H ALA 48 -3.562 8.426 -10.014 358 HA ALA 48 HA ALA 48 -4.757 7.875 -7.570 359 1HB ALA 48 1HB ALA 48 -5.841 5.990 -8.715 360 2HB ALA 48 2HB ALA 48 -4.718 6.179 -10.062 361 3HB ALA 48 3HB ALA 48 -5.866 7.464 -9.684 362 H THR 49 H THR 49 -4.626 6.244 -6.089 363 HA THR 49 HA THR 49 -2.498 4.250 -6.380 364 HB THR 49 HB THR 49 -2.883 5.873 -3.857 365 HG1 THR 49 HG1 THR 49 -2.006 7.114 -5.606 366 1HG2 THR 49 1HG2 THR 49 -0.700 4.971 -3.226 367 2HG2 THR 49 2HG2 THR 49 -0.697 3.976 -4.682 368 3HG2 THR 49 3HG2 THR 49 -1.907 3.703 -3.430 369 H LYS 50 H LYS 50 -2.754 2.401 -4.947 370 HA LYS 50 HA LYS 50 -5.513 2.110 -3.945 371 1HB LYS 50 1HB LYS 50 -3.851 0.202 -5.569 372 2HB LYS 50 2HB LYS 50 -5.180 -0.368 -4.570 373 1HG LYS 50 1HG LYS 50 -6.768 0.870 -5.823 374 2HG LYS 50 2HG LYS 50 -5.499 1.748 -6.680 375 1HD LYS 50 1HD LYS 50 -4.787 -0.729 -7.345 376 2HD LYS 50 2HD LYS 50 -6.508 -1.014 -7.078 377 1HE LYS 50 1HE LYS 50 -7.140 0.318 -8.830 378 2HE LYS 50 2HE LYS 50 -5.702 1.331 -8.720 379 1HZ LYS 50 1HZ LYS 50 -5.832 -1.428 -9.809 380 2HZ LYS 50 2HZ LYS 50 -4.410 -0.533 -9.624 381 3HZ LYS 50 3HZ LYS 50 -5.605 -0.005 -10.696 382 H THR 51 H THR 51 -5.586 1.778 -1.853 383 HA THR 51 HA THR 51 -3.273 0.571 -0.501 384 HB THR 51 HB THR 51 -5.461 2.408 0.504 385 HG1 THR 51 HG1 THR 51 -3.741 3.802 0.832 386 1HG2 THR 51 1HG2 THR 51 -3.872 0.562 2.042 387 2HG2 THR 51 2HG2 THR 51 -5.158 1.650 2.565 388 3HG2 THR 51 3HG2 THR 51 -3.496 2.232 2.467 389 H PHE 52 H PHE 52 -3.478 -1.326 0.565 390 HA PHE 52 HA PHE 52 -5.919 -2.823 0.221 391 1HB PHE 52 1HB PHE 52 -3.670 -3.846 -0.077 392 2HB PHE 52 2HB PHE 52 -3.380 -3.634 1.646 393 HD1 PHE 52 HD1 PHE 52 -5.401 -5.424 -0.855 394 HD2 PHE 52 HD2 PHE 52 -4.313 -5.114 3.248 395 HE1 PHE 52 HE1 PHE 52 -6.460 -7.601 -0.413 396 HE2 PHE 52 HE2 PHE 52 -5.370 -7.289 3.697 397 HZ PHE 52 HZ PHE 52 -6.445 -8.536 1.865 398 H THR 53 H THR 53 -7.561 -2.700 1.599 399 HA THR 53 HA THR 53 -7.072 -1.868 4.357 400 HB THR 53 HB THR 53 -9.682 -2.266 2.881 401 HG1 THR 53 HG1 THR 53 -9.688 0.004 2.803 402 1HG2 THR 53 1HG2 THR 53 -10.589 -2.195 4.912 403 2HG2 THR 53 2HG2 THR 53 -10.164 -0.483 4.884 404 3HG2 THR 53 3HG2 THR 53 -9.092 -1.645 5.665 405 H VAL 54 H VAL 54 -6.979 -3.299 5.968 406 HA VAL 54 HA VAL 54 -7.331 -6.081 5.483 407 HB VAL 54 HB VAL 54 -7.150 -4.859 8.223 408 1HG1 VAL 54 1HG1 VAL 54 -5.809 -6.992 8.580 409 2HG1 VAL 54 2HG1 VAL 54 -6.446 -7.516 7.021 410 3HG1 VAL 54 3HG1 VAL 54 -7.549 -7.165 8.351 411 1HG2 VAL 54 1HG2 VAL 54 -4.612 -5.299 7.846 412 2HG2 VAL 54 2HG2 VAL 54 -5.332 -3.799 7.261 413 3HG2 VAL 54 3HG2 VAL 54 -5.022 -5.124 6.139 414 H THR 55 H THR 55 -8.769 -7.518 6.569 415 HA THR 55 HA THR 55 -11.195 -6.324 7.680 416 HB THR 55 HB THR 55 -11.217 -8.326 5.415 417 HG1 THR 55 HG1 THR 55 -10.803 -6.108 4.846 418 1HG2 THR 55 1HG2 THR 55 -13.245 -8.896 6.090 419 2HG2 THR 55 2HG2 THR 55 -13.754 -7.248 5.725 420 3HG2 THR 55 3HG2 THR 55 -13.238 -7.670 7.357 421 H GLU 56 H GLU 56 -10.458 -9.628 6.627 422 HA GLU 56 HA GLU 56 -9.695 -10.677 9.091 423 1HB GLU 56 1HB GLU 56 -11.849 -11.911 9.647 424 2HB GLU 56 2HB GLU 56 -11.809 -10.195 10.028 425 1HG GLU 56 1HG GLU 56 -13.213 -9.648 8.246 426 2HG GLU 56 2HG GLU 56 -12.957 -11.201 7.455 427 1H MET 1 1H MET 1 -10.223 16.549 2.463 428 2H MET 1 2H MET 1 -11.294 17.347 1.388 429 3H MET 1 3H MET 1 -10.016 18.217 2.131 430 HA MET 1 HA MET 1 -9.577 15.922 0.356 431 1HB MET 1 1HB MET 1 -10.233 18.761 -0.220 432 2HB MET 1 2HB MET 1 -8.930 18.049 -1.163 433 1HG MET 1 1HG MET 1 -11.329 16.382 -0.968 434 2HG MET 1 2HG MET 1 -11.576 17.926 -1.783 435 1HE MET 1 1HE MET 1 -8.195 15.093 -3.120 436 2HE MET 1 2HE MET 1 -9.071 14.884 -1.606 437 3HE MET 1 3HE MET 1 -8.042 16.296 -1.840 438 H GLN 2 H GLN 2 -7.442 15.561 -0.070 439 HA GLN 2 HA GLN 2 -5.546 16.853 1.726 440 1HB GLN 2 1HB GLN 2 -5.664 14.347 1.408 441 2HB GLN 2 2HB GLN 2 -5.013 14.595 -0.206 442 1HG GLN 2 1HG GLN 2 -3.204 13.996 1.189 443 2HG GLN 2 2HG GLN 2 -3.047 15.720 0.859 444 1HE2 GLN 2 1HE2 GLN 2 -3.591 13.301 3.248 445 2HE2 GLN 2 2HE2 GLN 2 -3.561 14.344 4.624 446 H TYR 3 H TYR 3 -4.255 18.460 1.120 447 HA TYR 3 HA TYR 3 -3.884 18.930 -1.760 448 1HB TYR 3 1HB TYR 3 -4.087 20.784 0.581 449 2HB TYR 3 2HB TYR 3 -3.236 21.295 -0.873 450 HD1 TYR 3 HD1 TYR 3 -6.487 20.541 0.598 451 HD2 TYR 3 HD2 TYR 3 -4.443 21.582 -2.985 452 HE1 TYR 3 HE1 TYR 3 -8.630 21.161 -0.438 453 HE2 TYR 3 HE2 TYR 3 -6.579 22.205 -4.030 454 HH TYR 3 HH TYR 3 -8.974 21.702 -3.766 455 H LYS 4 H LYS 4 -1.972 18.945 -2.634 456 HA LYS 4 HA LYS 4 0.389 18.594 -0.904 457 1HB LYS 4 1HB LYS 4 -0.315 17.610 -3.636 458 2HB LYS 4 2HB LYS 4 1.383 17.847 -3.237 459 1HG LYS 4 1HG LYS 4 0.810 16.425 -1.137 460 2HG LYS 4 2HG LYS 4 -0.583 15.912 -2.094 461 1HD LYS 4 1HD LYS 4 1.083 15.372 -3.940 462 2HD LYS 4 2HD LYS 4 2.341 15.569 -2.718 463 1HE LYS 4 1HE LYS 4 1.456 13.785 -1.408 464 2HE LYS 4 2HE LYS 4 0.004 13.697 -2.405 465 1HZ LYS 4 1HZ LYS 4 1.535 13.105 -4.290 466 2HZ LYS 4 2HZ LYS 4 1.384 11.934 -3.079 467 3HZ LYS 4 3HZ LYS 4 2.762 12.911 -3.142 468 H VAL 5 H VAL 5 1.985 20.063 -0.887 469 HA VAL 5 HA VAL 5 2.216 21.976 -3.090 470 HB VAL 5 HB VAL 5 2.138 22.907 -0.222 471 1HG1 VAL 5 1HG1 VAL 5 1.761 24.685 -2.575 472 2HG1 VAL 5 2HG1 VAL 5 3.390 24.122 -2.200 473 3HG1 VAL 5 3HG1 VAL 5 2.473 25.030 -0.998 474 1HG2 VAL 5 1HG2 VAL 5 -0.043 24.013 -1.031 475 2HG2 VAL 5 2HG2 VAL 5 -0.081 22.305 -0.596 476 3HG2 VAL 5 3HG2 VAL 5 -0.025 22.782 -2.293 477 H ILE 6 H ILE 6 4.280 22.294 -3.651 478 HA ILE 6 HA ILE 6 6.375 21.262 -1.889 479 HB ILE 6 HB ILE 6 6.674 22.177 -4.747 480 1HG1 ILE 6 1HG1 ILE 6 6.231 19.366 -3.717 481 2HG1 ILE 6 2HG1 ILE 6 5.019 20.336 -4.550 482 1HG2 ILE 6 1HG2 ILE 6 8.728 20.926 -4.718 483 2HG2 ILE 6 2HG2 ILE 6 8.394 20.340 -3.089 484 3HG2 ILE 6 3HG2 ILE 6 8.725 22.050 -3.359 485 1HD1 ILE 6 1HD1 ILE 6 7.658 19.745 -5.828 486 2HD1 ILE 6 2HD1 ILE 6 6.125 20.188 -6.582 487 3HD1 ILE 6 3HD1 ILE 6 6.332 18.582 -5.883 488 H LEU 7 H LEU 7 7.617 22.603 -0.718 489 HA LEU 7 HA LEU 7 8.091 25.320 -1.714 490 1HB LEU 7 1HB LEU 7 6.802 24.530 0.829 491 2HB LEU 7 2HB LEU 7 8.024 25.782 0.954 492 HG LEU 7 HG LEU 7 6.642 26.841 -1.046 493 1HD1 LEU 7 1HD1 LEU 7 5.126 24.669 -0.747 494 2HD1 LEU 7 2HD1 LEU 7 4.475 26.223 -1.267 495 3HD1 LEU 7 3HD1 LEU 7 4.329 25.724 0.419 496 1HD2 LEU 7 1HD2 LEU 7 5.934 28.382 0.466 497 2HD2 LEU 7 2HD2 LEU 7 7.028 27.486 1.520 498 3HD2 LEU 7 3HD2 LEU 7 5.296 27.164 1.571 499 H ASN 8 H ASN 8 10.220 25.513 -1.977 500 HA ASN 8 HA ASN 8 12.015 24.803 0.172 501 1HB ASN 8 1HB ASN 8 13.502 23.471 -1.380 502 2HB ASN 8 2HB ASN 8 12.002 22.677 -0.908 503 1HD2 ASN 8 1HD2 ASN 8 13.850 23.995 -3.483 504 2HD2 ASN 8 2HD2 ASN 8 12.790 23.540 -4.770 505 H GLY 9 H GLY 9 13.042 26.684 0.385 506 1HA GLY 9 1HA GLY 9 13.548 28.398 -1.882 507 2HA GLY 9 2HA GLY 9 13.964 28.730 -0.209 508 H LYS 10 H LYS 10 14.912 26.697 -2.966 509 HA LYS 10 HA LYS 10 17.693 26.832 -1.993 510 1HB LYS 10 1HB LYS 10 16.151 24.693 -3.397 511 2HB LYS 10 2HB LYS 10 17.878 24.820 -3.702 512 1HG LYS 10 1HG LYS 10 16.725 24.628 -0.934 513 2HG LYS 10 2HG LYS 10 17.174 23.214 -1.892 514 1HD LYS 10 1HD LYS 10 19.424 23.684 -1.779 515 2HD LYS 10 2HD LYS 10 19.159 25.413 -1.539 516 1HE LYS 10 1HE LYS 10 18.362 24.975 0.731 517 2HE LYS 10 2HE LYS 10 18.614 23.247 0.490 518 1HZ LYS 10 1HZ LYS 10 20.886 25.034 0.041 519 2HZ LYS 10 2HZ LYS 10 20.857 23.456 0.650 520 3HZ LYS 10 3HZ LYS 10 20.413 24.752 1.641 521 H THR 11 H THR 11 19.369 27.017 -3.618 522 HA THR 11 HA THR 11 18.469 28.124 -6.183 523 HB THR 11 HB THR 11 20.347 29.845 -5.922 524 HG1 THR 11 HG1 THR 11 21.187 30.155 -3.982 525 1HG2 THR 11 1HG2 THR 11 17.797 29.940 -4.374 526 2HG2 THR 11 2HG2 THR 11 18.252 30.807 -5.841 527 3HG2 THR 11 3HG2 THR 11 18.952 31.270 -4.290 528 H LEU 12 H LEU 12 19.711 27.609 -7.911 529 HA LEU 12 HA LEU 12 21.494 25.437 -7.716 530 1HB LEU 12 1HB LEU 12 20.058 26.355 -9.714 531 2HB LEU 12 2HB LEU 12 21.513 27.264 -10.078 532 HG LEU 12 HG LEU 12 22.583 24.806 -9.812 533 1HD1 LEU 12 1HD1 LEU 12 20.324 23.843 -9.375 534 2HD1 LEU 12 2HD1 LEU 12 21.168 23.128 -10.750 535 3HD1 LEU 12 3HD1 LEU 12 19.872 24.295 -11.020 536 1HD2 LEU 12 1HD2 LEU 12 22.766 26.408 -11.718 537 2HD2 LEU 12 2HD2 LEU 12 21.255 25.750 -12.347 538 3HD2 LEU 12 3HD2 LEU 12 22.674 24.714 -12.199 539 H LYS 13 H LYS 13 21.992 28.882 -7.621 540 HA LYS 13 HA LYS 13 24.875 28.399 -7.316 541 1HB LYS 13 1HB LYS 13 23.514 30.416 -9.073 542 2HB LYS 13 2HB LYS 13 25.130 30.717 -8.447 543 1HG LYS 13 1HG LYS 13 24.439 28.218 -9.958 544 2HG LYS 13 2HG LYS 13 24.959 29.702 -10.762 545 1HD LYS 13 1HD LYS 13 26.608 28.697 -8.504 546 2HD LYS 13 2HD LYS 13 26.677 27.812 -10.030 547 1HE LYS 13 1HE LYS 13 26.961 30.255 -11.009 548 2HE LYS 13 2HE LYS 13 27.568 30.575 -9.385 549 1HZ LYS 13 1HZ LYS 13 28.592 28.259 -10.881 550 2HZ LYS 13 2HZ LYS 13 29.348 29.179 -9.678 551 3HZ LYS 13 3HZ LYS 13 29.181 29.805 -11.241 552 H GLY 14 H GLY 14 25.992 30.336 -6.320 553 1HA GLY 14 1HA GLY 14 24.693 30.969 -3.866 554 2HA GLY 14 2HA GLY 14 26.249 31.584 -4.404 555 H GLU 15 H GLU 15 22.782 31.946 -5.130 556 HA GLU 15 HA GLU 15 23.017 34.820 -4.886 557 1HB GLU 15 1HB GLU 15 22.370 33.473 -7.504 558 2HB GLU 15 2HB GLU 15 21.895 35.130 -7.157 559 1HG GLU 15 1HG GLU 15 24.405 35.470 -6.615 560 2HG GLU 15 2HG GLU 15 24.625 33.988 -7.544 561 H THR 16 H THR 16 21.491 34.892 -3.315 562 HA THR 16 HA THR 16 18.881 33.659 -3.858 563 HB THR 16 HB THR 16 19.611 34.866 -1.217 564 HG1 THR 16 HG1 THR 16 21.068 33.421 -0.855 565 1HG2 THR 16 1HG2 THR 16 17.787 33.846 -0.514 566 2HG2 THR 16 2HG2 THR 16 18.396 32.294 -1.085 567 3HG2 THR 16 3HG2 THR 16 17.464 33.327 -2.168 568 H THR 17 H THR 17 17.375 34.946 -4.670 569 HA THR 17 HA THR 17 16.931 37.574 -3.540 570 HB THR 17 HB THR 17 17.212 37.453 -6.525 571 HG1 THR 17 HG1 THR 17 19.324 37.796 -6.419 572 1HG2 THR 17 1HG2 THR 17 17.225 39.617 -4.467 573 2HG2 THR 17 2HG2 THR 17 16.246 39.466 -5.926 574 3HG2 THR 17 3HG2 THR 17 17.961 39.862 -6.051 575 H THR 18 H THR 18 16.040 35.705 -6.449 576 HA THR 18 HA THR 18 13.295 36.503 -6.258 577 HB THR 18 HB THR 18 14.193 36.128 -8.445 578 HG1 THR 18 HG1 THR 18 12.594 34.903 -9.221 579 1HG2 THR 18 1HG2 THR 18 14.663 33.615 -9.032 580 2HG2 THR 18 2HG2 THR 18 15.106 33.534 -7.328 581 3HG2 THR 18 3HG2 THR 18 15.933 34.661 -8.402 582 H GLU 19 H GLU 19 11.565 34.740 -6.428 583 HA GLU 19 HA GLU 19 10.351 33.125 -5.391 584 1HB GLU 19 1HB GLU 19 13.080 31.844 -5.218 585 2HB GLU 19 2HB GLU 19 11.590 31.026 -4.767 586 1HG GLU 19 1HG GLU 19 10.754 31.242 -7.030 587 2HG GLU 19 2HG GLU 19 12.196 32.141 -7.497 588 H ALA 20 H ALA 20 9.998 31.967 -3.300 589 HA ALA 20 HA ALA 20 11.514 32.674 -1.001 590 1HB ALA 20 1HB ALA 20 8.877 34.103 -1.330 591 2HB ALA 20 2HB ALA 20 10.469 34.856 -1.441 592 3HB ALA 20 3HB ALA 20 9.929 34.156 0.086 593 H VAL 21 H VAL 21 10.480 30.290 -2.119 594 HA VAL 21 HA VAL 21 8.213 29.532 -0.459 595 HB VAL 21 HB VAL 21 8.528 27.272 -1.597 596 1HG1 VAL 21 1HG1 VAL 21 8.057 29.260 -3.732 597 2HG1 VAL 21 2HG1 VAL 21 7.066 29.402 -2.280 598 3HG1 VAL 21 3HG1 VAL 21 7.065 27.901 -3.204 599 1HG2 VAL 21 1HG2 VAL 21 10.902 27.741 -2.275 600 2HG2 VAL 21 2HG2 VAL 21 10.263 28.848 -3.490 601 3HG2 VAL 21 3HG2 VAL 21 9.862 27.132 -3.562 602 H ASP 22 H ASP 22 9.315 29.775 1.562 603 HA ASP 22 HA ASP 22 11.358 27.760 2.166 604 1HB ASP 22 1HB ASP 22 11.754 30.153 2.781 605 2HB ASP 22 2HB ASP 22 10.379 30.052 3.879 606 H ALA 23 H ALA 23 11.108 26.214 3.661 607 HA ALA 23 HA ALA 23 8.686 24.998 4.069 608 1HB ALA 23 1HB ALA 23 10.034 23.459 4.923 609 2HB ALA 23 2HB ALA 23 10.379 24.482 6.319 610 3HB ALA 23 3HB ALA 23 11.353 24.627 4.854 611 H ALA 24 H ALA 24 10.294 27.350 6.167 612 HA ALA 24 HA ALA 24 8.390 27.271 8.264 613 1HB ALA 24 1HB ALA 24 9.486 29.232 9.115 614 2HB ALA 24 2HB ALA 24 10.247 29.534 7.553 615 3HB ALA 24 3HB ALA 24 10.709 28.120 8.500 616 H THR 25 H THR 25 8.579 29.008 5.241 617 HA THR 25 HA THR 25 6.740 31.066 5.778 618 HB THR 25 HB THR 25 7.426 29.681 3.175 619 HG1 THR 25 HG1 THR 25 8.912 31.244 2.943 620 1HG2 THR 25 1HG2 THR 25 5.722 30.795 2.288 621 2HG2 THR 25 2HG2 THR 25 6.760 32.211 2.479 622 3HG2 THR 25 3HG2 THR 25 5.541 31.841 3.700 623 H PHE 26 H PHE 26 6.318 27.768 4.629 624 HA PHE 26 HA PHE 26 3.541 27.973 4.094 625 1HB PHE 26 1HB PHE 26 5.192 26.147 3.323 626 2HB PHE 26 2HB PHE 26 4.894 25.408 4.894 627 HD1 PHE 26 HD1 PHE 26 3.200 26.593 1.818 628 HD2 PHE 26 HD2 PHE 26 3.008 24.084 5.249 629 HE1 PHE 26 HE1 PHE 26 1.158 25.547 0.932 630 HE2 PHE 26 HE2 PHE 26 0.965 23.031 4.369 631 HZ PHE 26 HZ PHE 26 0.038 23.763 2.208 632 H GLU 27 H GLU 27 5.362 26.786 6.900 633 HA GLU 27 HA GLU 27 3.204 25.959 8.451 634 1HB GLU 27 1HB GLU 27 5.823 27.130 9.395 635 2HB GLU 27 2HB GLU 27 4.709 26.187 10.377 636 1HG GLU 27 1HG GLU 27 5.036 24.322 8.691 637 2HG GLU 27 2HG GLU 27 6.381 25.272 8.060 638 H LYS 28 H LYS 28 4.868 29.116 8.521 639 HA LYS 28 HA LYS 28 3.188 30.240 10.477 640 1HB LYS 28 1HB LYS 28 5.484 31.033 9.784 641 2HB LYS 28 2HB LYS 28 4.719 31.776 8.386 642 1HG LYS 28 1HG LYS 28 3.224 32.986 10.063 643 2HG LYS 28 2HG LYS 28 4.388 32.464 11.284 644 1HD LYS 28 1HD LYS 28 5.302 33.872 8.802 645 2HD LYS 28 2HD LYS 28 4.680 34.787 10.178 646 1HE LYS 28 1HE LYS 28 6.353 33.568 11.606 647 2HE LYS 28 2HE LYS 28 7.052 32.930 10.118 648 1HZ LYS 28 1HZ LYS 28 6.820 35.801 10.843 649 2HZ LYS 28 2HZ LYS 28 7.452 35.211 9.390 650 3HZ LYS 28 3HZ LYS 28 8.242 34.884 10.849 651 H VAL 29 H VAL 29 3.145 30.667 6.914 652 HA VAL 29 HA VAL 29 0.975 32.443 6.871 653 HB VAL 29 HB VAL 29 1.793 30.483 4.720 654 1HG1 VAL 29 1HG1 VAL 29 0.203 33.043 4.510 655 2HG1 VAL 29 2HG1 VAL 29 -0.455 31.411 4.370 656 3HG1 VAL 29 3HG1 VAL 29 0.692 32.008 3.168 657 1HG2 VAL 29 1HG2 VAL 29 3.425 32.324 5.742 658 2HG2 VAL 29 2HG2 VAL 29 2.546 33.346 4.606 659 3HG2 VAL 29 3HG2 VAL 29 3.408 31.922 4.025 660 H VAL 30 H VAL 30 1.072 28.912 6.691 661 HA VAL 30 HA VAL 30 -1.723 28.659 6.194 662 HB VAL 30 HB VAL 30 0.218 26.559 7.168 663 1HG1 VAL 30 1HG1 VAL 30 -1.411 24.941 6.308 664 2HG1 VAL 30 2HG1 VAL 30 -2.518 26.259 5.928 665 3HG1 VAL 30 3HG1 VAL 30 -2.096 25.919 7.606 666 1HG2 VAL 30 1HG2 VAL 30 0.652 26.009 4.956 667 2HG2 VAL 30 2HG2 VAL 30 0.608 27.770 4.918 668 3HG2 VAL 30 3HG2 VAL 30 -0.783 26.842 4.362 669 H LYS 31 H LYS 31 0.246 28.312 9.183 670 HA LYS 31 HA LYS 31 -1.888 27.483 10.800 671 1HB LYS 31 1HB LYS 31 0.653 27.480 11.261 672 2HB LYS 31 2HB LYS 31 0.422 29.143 11.780 673 1HG LYS 31 1HG LYS 31 -1.461 27.257 12.977 674 2HG LYS 31 2HG LYS 31 0.227 26.942 13.377 675 1HD LYS 31 1HD LYS 31 0.304 29.503 13.855 676 2HD LYS 31 2HD LYS 31 -1.449 29.347 13.975 677 1HE LYS 31 1HE LYS 31 -1.269 27.775 15.752 678 2HE LYS 31 2HE LYS 31 0.470 27.616 15.516 679 1HZ LYS 31 1HZ LYS 31 -0.858 30.132 16.352 680 2HZ LYS 31 2HZ LYS 31 0.805 29.828 16.298 681 3HZ LYS 31 3HZ LYS 31 -0.165 29.027 17.430 682 H GLN 32 H GLN 32 -0.552 30.697 10.134 683 HA GLN 32 HA GLN 32 -2.282 32.110 11.849 684 1HB GLN 32 1HB GLN 32 -0.146 32.986 10.876 685 2HB GLN 32 2HB GLN 32 -0.978 33.155 9.336 686 1HG GLN 32 1HG GLN 32 -1.189 35.271 10.148 687 2HG GLN 32 2HG GLN 32 -2.674 34.551 10.767 688 1HE2 GLN 32 1HE2 GLN 32 -2.752 33.926 12.976 689 2HE2 GLN 32 2HE2 GLN 32 -1.719 34.676 14.140 690 H PHE 33 H PHE 33 -2.516 31.351 8.360 691 HA PHE 33 HA PHE 33 -4.906 32.802 7.965 692 1HB PHE 33 1HB PHE 33 -3.713 32.473 6.016 693 2HB PHE 33 2HB PHE 33 -3.301 30.815 6.420 694 HD1 PHE 33 HD1 PHE 33 -6.492 32.701 5.839 695 HD2 PHE 33 HD2 PHE 33 -4.080 29.313 4.944 696 HE1 PHE 33 HE1 PHE 33 -8.233 31.870 4.305 697 HE2 PHE 33 HE2 PHE 33 -5.817 28.471 3.418 698 HZ PHE 33 HZ PHE 33 -7.896 29.742 3.099 699 H PHE 34 H PHE 34 -4.302 29.344 8.560 700 HA PHE 34 HA PHE 34 -7.082 28.721 8.426 701 1HB PHE 34 1HB PHE 34 -4.624 27.157 9.062 702 2HB PHE 34 2HB PHE 34 -6.207 26.482 9.453 703 HD1 PHE 34 HD1 PHE 34 -4.050 27.683 6.719 704 HD2 PHE 34 HD2 PHE 34 -7.697 25.747 7.749 705 HE1 PHE 34 HE1 PHE 34 -4.383 27.060 4.363 706 HE2 PHE 34 HE2 PHE 34 -8.033 25.119 5.397 707 HZ PHE 34 HZ PHE 34 -6.382 25.786 3.696 708 H ASN 35 H ASN 35 -4.912 29.542 11.058 709 HA ASN 35 HA ASN 35 -6.457 28.612 13.199 710 1HB ASN 35 1HB ASN 35 -4.470 30.829 12.904 711 2HB ASN 35 2HB ASN 35 -5.405 30.711 14.390 712 1HD2 ASN 35 1HD2 ASN 35 -4.450 27.859 12.571 713 2HD2 ASN 35 2HD2 ASN 35 -3.299 27.294 13.725 714 H ASP 36 H ASP 36 -6.872 31.366 11.130 715 HA ASP 36 HA ASP 36 -8.654 32.885 12.673 716 1HB ASP 36 1HB ASP 36 -8.332 32.648 9.681 717 2HB ASP 36 2HB ASP 36 -9.361 33.843 10.463 718 H ASN 37 H ASN 37 -9.124 29.870 11.126 719 HA ASN 37 HA ASN 37 -12.046 30.228 11.184 720 1HB ASN 37 1HB ASN 37 -12.227 28.329 9.681 721 2HB ASN 37 2HB ASN 37 -11.134 29.534 9.008 722 1HD2 ASN 37 1HD2 ASN 37 -9.358 28.765 8.169 723 2HD2 ASN 37 2HD2 ASN 37 -8.570 27.293 8.609 724 H GLY 38 H GLY 38 -9.457 28.556 12.748 725 1HA GLY 38 1HA GLY 38 -10.292 27.772 15.009 726 2HA GLY 38 2HA GLY 38 -11.429 26.809 14.087 727 H VAL 39 H VAL 39 -8.304 27.016 12.665 728 HA VAL 39 HA VAL 39 -7.846 24.222 13.333 729 HB VAL 39 HB VAL 39 -6.194 25.998 11.531 730 1HG1 VAL 39 1HG1 VAL 39 -5.732 23.627 10.537 731 2HG1 VAL 39 2HG1 VAL 39 -6.222 23.073 12.140 732 3HG1 VAL 39 3HG1 VAL 39 -4.853 24.173 11.967 733 1HG2 VAL 39 1HG2 VAL 39 -8.769 24.638 11.106 734 2HG2 VAL 39 2HG2 VAL 39 -7.560 24.378 9.848 735 3HG2 VAL 39 3HG2 VAL 39 -8.059 26.017 10.267 736 H ASP 40 H ASP 40 -6.069 23.437 14.443 737 HA ASP 40 HA ASP 40 -4.028 25.250 15.405 738 1HB ASP 40 1HB ASP 40 -5.920 23.883 17.327 739 2HB ASP 40 2HB ASP 40 -4.445 24.727 17.791 740 H GLY 41 H GLY 41 -2.705 23.885 17.196 741 1HA GLY 41 1HA GLY 41 -1.991 21.606 17.748 742 2HA GLY 41 2HA GLY 41 -2.354 21.167 16.085 743 H GLU 42 H GLU 42 -0.338 20.442 15.511 744 HA GLU 42 HA GLU 42 1.640 22.507 15.028 745 1HB GLU 42 1HB GLU 42 2.156 20.144 16.825 746 2HB GLU 42 2HB GLU 42 3.454 21.014 16.019 747 1HG GLU 42 1HG GLU 42 3.468 22.151 17.964 748 2HG GLU 42 2HG GLU 42 2.220 23.086 17.141 749 H TRP 43 H TRP 43 3.365 21.798 13.603 750 HA TRP 43 HA TRP 43 2.383 20.070 11.547 751 1HB TRP 43 1HB TRP 43 5.001 21.528 11.897 752 2HB TRP 43 2HB TRP 43 4.614 20.559 10.477 753 HD1 TRP 43 HD1 TRP 43 3.906 23.913 12.090 754 HE1 TRP 43 HE1 TRP 43 2.534 25.361 10.463 755 HE3 TRP 43 HE3 TRP 43 2.819 20.370 8.568 756 HZ2 TRP 43 HZ2 TRP 43 1.172 25.042 8.014 757 HZ3 TRP 43 HZ3 TRP 43 1.475 21.024 6.613 758 HH2 TRP 43 HH2 TRP 43 0.669 23.313 6.344 759 H THR 44 H THR 44 2.515 17.985 11.486 760 HA THR 44 HA THR 44 4.697 16.655 12.941 761 HB THR 44 HB THR 44 3.246 14.703 13.105 762 HG1 THR 44 HG1 THR 44 1.671 14.516 11.761 763 1HG2 THR 44 1HG2 THR 44 2.976 16.797 14.670 764 2HG2 THR 44 2HG2 THR 44 1.887 15.413 14.782 765 3HG2 THR 44 3HG2 THR 44 1.383 16.865 13.915 766 H TYR 45 H TYR 45 5.902 15.146 11.939 767 HA TYR 45 HA TYR 45 6.167 15.321 9.111 768 1HB TYR 45 1HB TYR 45 7.505 13.691 11.244 769 2HB TYR 45 2HB TYR 45 7.794 13.329 9.545 770 HD1 TYR 45 HD1 TYR 45 8.534 15.554 12.295 771 HD2 TYR 45 HD2 TYR 45 8.812 15.075 8.077 772 HE1 TYR 45 HE1 TYR 45 10.234 17.329 12.211 773 HE2 TYR 45 HE2 TYR 45 10.513 16.848 7.981 774 HH TYR 45 HH TYR 45 12.048 18.075 10.765 775 H ASP 46 H ASP 46 5.705 13.837 7.516 776 HA ASP 46 HA ASP 46 3.442 12.157 7.965 777 1HB ASP 46 1HB ASP 46 5.218 12.719 5.603 778 2HB ASP 46 2HB ASP 46 4.025 11.426 5.534 779 H ASP 47 H ASP 47 3.367 9.845 7.454 780 HA ASP 47 HA ASP 47 5.350 8.384 8.847 781 1HB ASP 47 1HB ASP 47 2.862 7.796 8.469 782 2HB ASP 47 2HB ASP 47 3.399 7.128 6.931 783 H ALA 48 H ALA 48 7.172 7.436 8.182 784 HA ALA 48 HA ALA 48 8.363 8.003 5.740 785 1HB ALA 48 1HB ALA 48 10.033 6.309 6.346 786 2HB ALA 48 2HB ALA 48 8.972 5.740 7.636 787 3HB ALA 48 3HB ALA 48 9.642 7.371 7.699 788 H THR 49 H THR 49 8.671 6.911 3.852 789 HA THR 49 HA THR 49 7.287 4.360 3.461 790 HB THR 49 HB THR 49 7.026 6.679 1.540 791 HG1 THR 49 HG1 THR 49 5.874 7.016 3.514 792 1HG2 THR 49 1HG2 THR 49 5.206 5.354 0.568 793 2HG2 THR 49 2HG2 THR 49 5.620 4.023 1.649 794 3HG2 THR 49 3HG2 THR 49 6.773 4.559 0.427 795 H LYS 50 H LYS 50 8.040 3.177 1.572 796 HA LYS 50 HA LYS 50 10.702 4.061 0.660 797 1HB LYS 50 1HB LYS 50 9.789 1.350 1.583 798 2HB LYS 50 2HB LYS 50 11.177 1.528 0.520 799 1HG LYS 50 1HG LYS 50 12.377 2.767 2.143 800 2HG LYS 50 2HG LYS 50 10.945 2.945 3.159 801 1HD LYS 50 1HD LYS 50 11.032 0.287 3.064 802 2HD LYS 50 2HD LYS 50 12.747 0.615 2.799 803 1HE LYS 50 1HE LYS 50 13.031 1.537 4.880 804 2HE LYS 50 2HE LYS 50 11.345 2.038 5.007 805 1HZ LYS 50 1HZ LYS 50 12.395 -0.725 5.280 806 2HZ LYS 50 2HZ LYS 50 10.753 -0.324 5.272 807 3HZ LYS 50 3HZ LYS 50 11.753 0.239 6.512 808 H THR 51 H THR 51 10.781 4.385 -1.434 809 HA THR 51 HA THR 51 8.894 2.966 -3.184 810 HB THR 51 HB THR 51 10.351 5.600 -3.511 811 HG1 THR 51 HG1 THR 51 8.261 6.416 -3.515 812 1HG2 THR 51 1HG2 THR 51 9.358 3.877 -5.592 813 2HG2 THR 51 2HG2 THR 51 10.200 5.423 -5.715 814 3HG2 THR 51 3HG2 THR 51 8.446 5.386 -5.533 815 H PHE 52 H PHE 52 9.629 1.615 -4.738 816 HA PHE 52 HA PHE 52 12.429 0.922 -4.724 817 1HB PHE 52 1HB PHE 52 10.629 -0.793 -4.837 818 2HB PHE 52 2HB PHE 52 10.200 -0.195 -6.436 819 HD1 PHE 52 HD1 PHE 52 12.800 -1.906 -4.472 820 HD2 PHE 52 HD2 PHE 52 11.468 -0.781 -8.354 821 HE1 PHE 52 HE1 PHE 52 14.460 -3.419 -5.475 822 HE2 PHE 52 HE2 PHE 52 13.126 -2.293 -9.365 823 HZ PHE 52 HZ PHE 52 14.625 -3.614 -7.925 824 H THR 53 H THR 53 13.881 1.943 -5.932 825 HA THR 53 HA THR 53 13.023 3.334 -8.356 826 HB THR 53 HB THR 53 15.701 3.360 -6.947 827 HG1 THR 53 HG1 THR 53 15.002 5.403 -6.219 828 1HG2 THR 53 1HG2 THR 53 16.429 4.299 -8.828 829 2HG2 THR 53 2HG2 THR 53 15.495 5.706 -8.317 830 3HG2 THR 53 3HG2 THR 53 14.797 4.548 -9.448 831 H VAL 54 H VAL 54 13.296 2.464 -10.310 832 HA VAL 54 HA VAL 54 14.526 -0.083 -10.626 833 HB VAL 54 HB VAL 54 13.832 1.746 -12.909 834 1HG1 VAL 54 1HG1 VAL 54 13.208 -0.508 -13.916 835 2HG1 VAL 54 2HG1 VAL 54 14.060 -1.224 -12.546 836 3HG1 VAL 54 3HG1 VAL 54 14.925 -0.181 -13.675 837 1HG2 VAL 54 1HG2 VAL 54 11.583 0.434 -12.779 838 2HG2 VAL 54 2HG2 VAL 54 11.823 1.862 -11.772 839 3HG2 VAL 54 3HG2 VAL 54 12.004 0.252 -11.076 840 H THR 55 H THR 55 16.285 -0.623 -12.016 841 HA THR 55 HA THR 55 18.156 1.535 -12.628 842 HB THR 55 HB THR 55 18.916 -0.915 -11.035 843 HG1 THR 55 HG1 THR 55 17.864 0.780 -9.858 844 1HG2 THR 55 1HG2 THR 55 20.989 -0.602 -11.737 845 2HG2 THR 55 2HG2 THR 55 20.965 0.960 -10.918 846 3HG2 THR 55 3HG2 THR 55 20.531 0.852 -12.624 847 H GLU 56 H GLU 56 18.543 -1.987 -12.602 848 HA GLU 56 HA GLU 56 18.028 -2.467 -15.300 849 1HB GLU 56 1HB GLU 56 20.432 -2.753 -16.084 850 2HB GLU 56 2HB GLU 56 19.839 -1.101 -15.958 851 1HG GLU 56 1HG GLU 56 21.088 -0.673 -14.038 852 2HG GLU 56 2HG GLU 56 21.356 -2.386 -13.723 853 1H MET 1 1H MET 1 4.546 -0.104 8.512 854 2H MET 1 2H MET 1 6.097 -0.719 8.912 855 3H MET 1 3H MET 1 5.175 -1.454 7.666 856 HA MET 1 HA MET 1 6.052 1.343 7.572 857 1HB MET 1 1HB MET 1 7.503 -1.193 7.042 858 2HB MET 1 2HB MET 1 7.707 0.091 5.857 859 1HG MET 1 1HG MET 1 7.990 0.962 8.636 860 2HG MET 1 2HG MET 1 9.190 -0.220 8.116 861 1HE MET 1 1HE MET 1 8.482 3.620 5.667 862 2HE MET 1 2HE MET 1 7.379 3.075 6.931 863 3HE MET 1 3HE MET 1 7.573 2.121 5.461 864 H GLN 2 H GLN 2 5.588 2.326 5.647 865 HA GLN 2 HA GLN 2 3.598 0.993 3.990 866 1HB GLN 2 1HB GLN 2 3.317 3.350 4.857 867 2HB GLN 2 2HB GLN 2 4.596 3.831 3.751 868 1HG GLN 2 1HG GLN 2 2.545 4.334 2.696 869 2HG GLN 2 2HG GLN 2 3.201 2.912 1.885 870 1HE2 GLN 2 1HE2 GLN 2 0.660 4.179 3.830 871 2HE2 GLN 2 2HE2 GLN 2 -0.340 2.770 3.826 872 H TYR 3 H TYR 3 4.064 0.048 2.117 873 HA TYR 3 HA TYR 3 6.637 0.688 0.845 874 1HB TYR 3 1HB TYR 3 5.050 -1.842 1.033 875 2HB TYR 3 2HB TYR 3 6.174 -1.608 -0.301 876 HD1 TYR 3 HD1 TYR 3 5.843 -2.212 3.280 877 HD2 TYR 3 HD2 TYR 3 8.583 -1.432 0.120 878 HE1 TYR 3 HE1 TYR 3 7.701 -2.937 4.719 879 HE2 TYR 3 HE2 TYR 3 10.448 -2.156 1.549 880 HH TYR 3 HH TYR 3 10.953 -2.369 3.948 881 H LYS 4 H LYS 4 6.740 1.425 -1.121 882 HA LYS 4 HA LYS 4 4.244 1.728 -2.660 883 1HB LYS 4 1HB LYS 4 6.724 3.378 -2.431 884 2HB LYS 4 2HB LYS 4 5.809 3.438 -3.931 885 1HG LYS 4 1HG LYS 4 3.782 3.881 -2.367 886 2HG LYS 4 2HG LYS 4 5.021 4.336 -1.198 887 1HD LYS 4 1HD LYS 4 5.956 5.859 -3.003 888 2HD LYS 4 2HD LYS 4 4.457 5.563 -3.885 889 1HE LYS 4 1HE LYS 4 3.148 6.522 -2.139 890 2HE LYS 4 2HE LYS 4 4.540 6.598 -1.061 891 1HZ LYS 4 1HZ LYS 4 5.551 8.151 -2.731 892 2HZ LYS 4 2HZ LYS 4 4.212 8.761 -1.896 893 3HZ LYS 4 3HZ LYS 4 4.040 8.218 -3.489 894 H VAL 5 H VAL 5 4.004 0.770 -4.591 895 HA VAL 5 HA VAL 5 6.364 -0.166 -6.045 896 HB VAL 5 HB VAL 5 4.035 -2.008 -5.511 897 1HG1 VAL 5 1HG1 VAL 5 6.718 -2.911 -6.419 898 2HG1 VAL 5 2HG1 VAL 5 5.650 -2.138 -7.591 899 3HG1 VAL 5 3HG1 VAL 5 5.125 -3.594 -6.744 900 1HG2 VAL 5 1HG2 VAL 5 5.828 -3.261 -4.147 901 2HG2 VAL 5 2HG2 VAL 5 5.032 -1.870 -3.411 902 3HG2 VAL 5 3HG2 VAL 5 6.653 -1.703 -4.085 903 H ILE 6 H ILE 6 6.198 0.224 -8.166 904 HA ILE 6 HA ILE 6 3.605 1.071 -9.226 905 HB ILE 6 HB ILE 6 6.295 1.286 -10.573 906 1HG1 ILE 6 1HG1 ILE 6 4.841 3.378 -8.939 907 2HG1 ILE 6 2HG1 ILE 6 6.269 2.495 -8.407 908 1HG2 ILE 6 1HG2 ILE 6 5.225 2.918 -11.986 909 2HG2 ILE 6 2HG2 ILE 6 3.731 2.793 -11.059 910 3HG2 ILE 6 3HG2 ILE 6 4.291 1.424 -12.017 911 1HD1 ILE 6 1HD1 ILE 6 6.307 4.114 -10.920 912 2HD1 ILE 6 2HD1 ILE 6 7.655 3.593 -9.910 913 3HD1 ILE 6 3HD1 ILE 6 6.565 4.859 -9.343 914 H LEU 7 H LEU 7 2.427 -0.243 -10.495 915 HA LEU 7 HA LEU 7 3.812 -2.258 -12.112 916 1HB LEU 7 1HB LEU 7 1.786 -2.718 -10.004 917 2HB LEU 7 2HB LEU 7 1.547 -3.606 -11.496 918 HG LEU 7 HG LEU 7 4.100 -4.220 -11.136 919 1HD1 LEU 7 1HD1 LEU 7 3.854 -2.701 -8.963 920 2HD1 LEU 7 2HD1 LEU 7 4.925 -4.100 -9.030 921 3HD1 LEU 7 3HD1 LEU 7 3.336 -4.241 -8.279 922 1HD2 LEU 7 1HD2 LEU 7 3.362 -6.302 -10.610 923 2HD2 LEU 7 2HD2 LEU 7 1.800 -5.584 -11.001 924 3HD2 LEU 7 3HD2 LEU 7 2.310 -5.721 -9.319 925 H ASN 8 H ASN 8 3.325 -1.832 -14.180 926 HA ASN 8 HA ASN 8 0.566 -1.462 -14.970 927 1HB ASN 8 1HB ASN 8 1.094 0.655 -16.231 928 2HB ASN 8 2HB ASN 8 1.049 0.822 -14.478 929 1HD2 ASN 8 1HD2 ASN 8 3.000 0.926 -17.316 930 2HD2 ASN 8 2HD2 ASN 8 4.438 1.522 -16.566 931 H GLY 9 H GLY 9 0.291 -2.697 -16.695 932 1HA GLY 9 1HA GLY 9 2.588 -3.345 -18.386 933 2HA GLY 9 2HA GLY 9 1.034 -4.167 -18.388 934 H LYS 10 H LYS 10 2.909 -1.572 -19.683 935 HA LYS 10 HA LYS 10 1.217 -1.349 -21.968 936 1HB LYS 10 1HB LYS 10 0.822 0.501 -19.749 937 2HB LYS 10 2HB LYS 10 1.226 1.340 -21.241 938 1HG LYS 10 1HG LYS 10 -0.883 -0.765 -21.272 939 2HG LYS 10 2HG LYS 10 -1.255 0.838 -20.638 940 1HD LYS 10 1HD LYS 10 0.041 0.455 -23.321 941 2HD LYS 10 2HD LYS 10 -1.711 0.409 -23.120 942 1HE LYS 10 1HE LYS 10 -1.862 2.634 -22.776 943 2HE LYS 10 2HE LYS 10 -0.353 2.701 -21.867 944 1HZ LYS 10 1HZ LYS 10 0.843 2.502 -23.995 945 2HZ LYS 10 2HZ LYS 10 -0.106 3.900 -23.910 946 3HZ LYS 10 3HZ LYS 10 -0.633 2.575 -24.820 947 H THR 11 H THR 11 3.215 -1.881 -22.952 948 HA THR 11 HA THR 11 4.995 0.432 -23.257 949 HB THR 11 HB THR 11 6.941 -1.171 -23.309 950 HG1 THR 11 HG1 THR 11 6.436 -3.193 -23.258 951 1HG2 THR 11 1HG2 THR 11 7.383 -0.718 -21.182 952 2HG2 THR 11 2HG2 THR 11 5.982 -1.621 -20.609 953 3HG2 THR 11 3HG2 THR 11 5.798 0.051 -21.135 954 H LEU 12 H LEU 12 6.525 0.082 -25.158 955 HA LEU 12 HA LEU 12 4.933 -0.915 -27.397 956 1HB LEU 12 1HB LEU 12 7.329 0.905 -27.253 957 2HB LEU 12 2HB LEU 12 6.660 0.323 -28.767 958 HG LEU 12 HG LEU 12 4.485 1.403 -28.130 959 1HD1 LEU 12 1HD1 LEU 12 4.923 3.323 -26.407 960 2HD1 LEU 12 2HD1 LEU 12 6.149 2.214 -25.798 961 3HD1 LEU 12 3HD1 LEU 12 4.460 1.713 -25.858 962 1HD2 LEU 12 1HD2 LEU 12 6.902 3.190 -28.355 963 2HD2 LEU 12 2HD2 LEU 12 5.236 3.674 -28.671 964 3HD2 LEU 12 3HD2 LEU 12 6.012 2.465 -29.693 965 H LYS 13 H LYS 13 8.011 -1.384 -25.792 966 HA LYS 13 HA LYS 13 8.293 -4.001 -26.900 967 1HB LYS 13 1HB LYS 13 9.112 -2.669 -28.801 968 2HB LYS 13 2HB LYS 13 10.293 -1.898 -27.751 969 1HG LYS 13 1HG LYS 13 11.497 -3.920 -27.471 970 2HG LYS 13 2HG LYS 13 10.212 -4.864 -28.227 971 1HD LYS 13 1HD LYS 13 10.628 -3.730 -30.354 972 2HD LYS 13 2HD LYS 13 11.903 -2.774 -29.598 973 1HE LYS 13 1HE LYS 13 12.704 -4.748 -30.916 974 2HE LYS 13 2HE LYS 13 13.250 -4.702 -29.240 975 1HZ LYS 13 1HZ LYS 13 11.699 -6.356 -28.641 976 2HZ LYS 13 2HZ LYS 13 12.437 -6.910 -30.058 977 3HZ LYS 13 3HZ LYS 13 10.881 -6.251 -30.118 978 H GLY 14 H GLY 14 8.761 -4.985 -25.031 979 1HA GLY 14 1HA GLY 14 11.269 -4.739 -23.806 980 2HA GLY 14 2HA GLY 14 10.117 -3.801 -22.866 981 H GLU 15 H GLU 15 7.866 -5.526 -23.306 982 HA GLU 15 HA GLU 15 8.719 -7.872 -21.736 983 1HB GLU 15 1HB GLU 15 6.233 -6.180 -21.548 984 2HB GLU 15 2HB GLU 15 6.319 -7.791 -20.849 985 1HG GLU 15 1HG GLU 15 6.967 -6.659 -19.023 986 2HG GLU 15 2HG GLU 15 8.546 -6.727 -19.802 987 H THR 16 H THR 16 8.583 -9.687 -22.864 988 HA THR 16 HA THR 16 6.335 -10.018 -24.741 989 HB THR 16 HB THR 16 9.030 -11.292 -25.155 990 HG1 THR 16 HG1 THR 16 9.729 -9.366 -25.579 991 1HG2 THR 16 1HG2 THR 16 6.951 -12.066 -26.407 992 2HG2 THR 16 2HG2 THR 16 8.378 -11.658 -27.358 993 3HG2 THR 16 3HG2 THR 16 7.037 -10.519 -27.247 994 H THR 17 H THR 17 5.263 -11.935 -24.707 995 HA THR 17 HA THR 17 4.542 -13.972 -24.008 996 HB THR 17 HB THR 17 7.222 -14.589 -22.809 997 HG1 THR 17 HG1 THR 17 8.132 -14.771 -24.728 998 1HG2 THR 17 1HG2 THR 17 5.023 -16.136 -23.138 999 2HG2 THR 17 2HG2 THR 17 6.677 -16.741 -23.042 1000 3HG2 THR 17 3HG2 THR 17 5.921 -16.484 -24.614 1001 H THR 18 H THR 18 6.938 -13.111 -21.505 1002 HA THR 18 HA THR 18 5.337 -13.957 -19.358 1003 HB THR 18 HB THR 18 7.757 -13.704 -19.159 1004 HG1 THR 18 HG1 THR 18 7.514 -13.293 -17.127 1005 1HG2 THR 18 1HG2 THR 18 8.926 -11.862 -19.581 1006 2HG2 THR 18 2HG2 THR 18 7.774 -10.828 -18.735 1007 3HG2 THR 18 3HG2 THR 18 7.478 -11.291 -20.412 1008 H GLU 19 H GLU 19 5.039 -12.160 -17.481 1009 HA GLU 19 HA GLU 19 2.929 -10.469 -18.486 1010 1HB GLU 19 1HB GLU 19 2.612 -9.899 -16.073 1011 2HB GLU 19 2HB GLU 19 2.521 -11.621 -16.420 1012 1HG GLU 19 1HG GLU 19 5.213 -10.780 -15.749 1013 2HG GLU 19 2HG GLU 19 4.056 -10.404 -14.474 1014 H ALA 20 H ALA 20 2.758 -8.186 -17.856 1015 HA ALA 20 HA ALA 20 5.385 -6.851 -17.770 1016 1HB ALA 20 1HB ALA 20 3.048 -6.392 -19.553 1017 2HB ALA 20 2HB ALA 20 4.774 -6.329 -19.912 1018 3HB ALA 20 3HB ALA 20 4.003 -4.997 -19.050 1019 H VAL 21 H VAL 21 4.577 -7.223 -15.418 1020 HA VAL 21 HA VAL 21 3.685 -6.477 -13.442 1021 HB VAL 21 HB VAL 21 3.996 -3.953 -13.119 1022 1HG1 VAL 21 1HG1 VAL 21 6.577 -5.145 -13.963 1023 2HG1 VAL 21 2HG1 VAL 21 5.641 -5.999 -12.736 1024 3HG1 VAL 21 3HG1 VAL 21 6.140 -4.330 -12.461 1025 1HG2 VAL 21 1HG2 VAL 21 3.899 -3.360 -15.509 1026 2HG2 VAL 21 2HG2 VAL 21 5.407 -4.235 -15.769 1027 3HG2 VAL 21 3HG2 VAL 21 5.383 -2.806 -14.736 1028 H ASP 22 H ASP 22 1.529 -7.115 -13.922 1029 HA ASP 22 HA ASP 22 -0.299 -5.020 -14.834 1030 1HB ASP 22 1HB ASP 22 -0.390 -7.322 -15.824 1031 2HB ASP 22 2HB ASP 22 -0.907 -7.919 -14.250 1032 H ALA 23 H ALA 23 -1.902 -4.183 -13.668 1033 HA ALA 23 HA ALA 23 -1.681 -3.803 -10.964 1034 1HB ALA 23 1HB ALA 23 -3.299 -2.361 -11.429 1035 2HB ALA 23 2HB ALA 23 -4.444 -3.681 -11.682 1036 3HB ALA 23 3HB ALA 23 -3.457 -3.097 -13.025 1037 H ALA 24 H ALA 24 -3.586 -6.265 -12.644 1038 HA ALA 24 HA ALA 24 -4.806 -7.364 -10.334 1039 1HB ALA 24 1HB ALA 24 -5.484 -9.182 -11.762 1040 2HB ALA 24 2HB ALA 24 -4.294 -8.719 -12.979 1041 3HB ALA 24 3HB ALA 24 -5.664 -7.661 -12.638 1042 H THR 25 H THR 25 -1.733 -7.869 -11.913 1043 HA THR 25 HA THR 25 -1.055 -10.366 -10.812 1044 HB THR 25 HB THR 25 0.703 -8.053 -11.665 1045 HG1 THR 25 HG1 THR 25 0.756 -9.041 -13.595 1046 1HG2 THR 25 1HG2 THR 25 2.387 -9.168 -10.743 1047 2HG2 THR 25 2HG2 THR 25 2.191 -10.268 -12.110 1048 3HG2 THR 25 3HG2 THR 25 1.441 -10.647 -10.559 1049 H PHE 26 H PHE 26 -0.662 -7.079 -9.623 1050 HA PHE 26 HA PHE 26 0.872 -7.748 -7.333 1051 1HB PHE 26 1HB PHE 26 0.526 -5.431 -8.414 1052 2HB PHE 26 2HB PHE 26 -0.960 -5.366 -7.471 1053 HD1 PHE 26 HD1 PHE 26 2.710 -5.792 -7.178 1054 HD2 PHE 26 HD2 PHE 26 -0.920 -4.734 -5.225 1055 HE1 PHE 26 HE1 PHE 26 3.991 -5.021 -5.225 1056 HE2 PHE 26 HE2 PHE 26 0.355 -3.959 -3.268 1057 HZ PHE 26 HZ PHE 26 2.814 -4.102 -3.267 1058 H GLU 27 H GLU 27 -2.601 -7.184 -7.811 1059 HA GLU 27 HA GLU 27 -3.414 -7.477 -5.164 1060 1HB GLU 27 1HB GLU 27 -4.935 -8.233 -7.664 1061 2HB GLU 27 2HB GLU 27 -5.640 -7.973 -6.074 1062 1HG GLU 27 1HG GLU 27 -4.688 -5.628 -6.193 1063 2HG GLU 27 2HG GLU 27 -4.374 -5.954 -7.897 1064 H LYS 28 H LYS 28 -3.323 -9.973 -7.715 1065 HA LYS 28 HA LYS 28 -4.208 -12.061 -6.052 1066 1HB LYS 28 1HB LYS 28 -4.226 -12.003 -8.574 1067 2HB LYS 28 2HB LYS 28 -2.508 -12.374 -8.521 1068 1HG LYS 28 1HG LYS 28 -3.167 -14.408 -7.129 1069 2HG LYS 28 2HG LYS 28 -4.818 -14.081 -7.662 1070 1HD LYS 28 1HD LYS 28 -2.575 -14.290 -9.640 1071 2HD LYS 28 2HD LYS 28 -3.373 -15.737 -9.022 1072 1HE LYS 28 1HE LYS 28 -5.555 -14.705 -9.727 1073 2HE LYS 28 2HE LYS 28 -4.617 -13.454 -10.540 1074 1HZ LYS 28 1HZ LYS 28 -4.508 -16.364 -11.115 1075 2HZ LYS 28 2HZ LYS 28 -3.557 -15.188 -11.872 1076 3HZ LYS 28 3HZ LYS 28 -5.236 -15.183 -12.084 1077 H VAL 29 H VAL 29 -0.880 -11.248 -7.118 1078 HA VAL 29 HA VAL 29 0.372 -13.367 -5.775 1079 HB VAL 29 HB VAL 29 1.537 -10.658 -6.432 1080 1HG1 VAL 29 1HG1 VAL 29 2.924 -13.291 -5.917 1081 2HG1 VAL 29 2HG1 VAL 29 2.888 -11.916 -4.811 1082 3HG1 VAL 29 3HG1 VAL 29 3.703 -11.774 -6.370 1083 1HG2 VAL 29 1HG2 VAL 29 0.478 -12.292 -8.249 1084 2HG2 VAL 29 2HG2 VAL 29 2.068 -13.044 -8.106 1085 3HG2 VAL 29 3HG2 VAL 29 1.933 -11.345 -8.561 1086 H VAL 30 H VAL 30 -0.356 -10.072 -4.720 1087 HA VAL 30 HA VAL 30 1.037 -10.339 -2.248 1088 HB VAL 30 HB VAL 30 -1.049 -8.299 -3.030 1089 1HG1 VAL 30 1HG1 VAL 30 -0.062 -6.919 -1.247 1090 2HG1 VAL 30 2HG1 VAL 30 0.965 -8.275 -0.781 1091 3HG1 VAL 30 3HG1 VAL 30 -0.787 -8.398 -0.614 1092 1HG2 VAL 30 1HG2 VAL 30 0.654 -6.943 -3.832 1093 2HG2 VAL 30 2HG2 VAL 30 1.139 -8.544 -4.389 1094 3HG2 VAL 30 3HG2 VAL 30 1.906 -7.835 -2.969 1095 H LYS 31 H LYS 31 -2.451 -10.570 -3.098 1096 HA LYS 31 HA LYS 31 -3.337 -10.875 -0.455 1097 1HB LYS 31 1HB LYS 31 -4.671 -10.421 -2.619 1098 2HB LYS 31 2HB LYS 31 -4.652 -12.166 -2.835 1099 1HG LYS 31 1HG LYS 31 -5.507 -11.311 -0.174 1100 2HG LYS 31 2HG LYS 31 -6.552 -10.755 -1.481 1101 1HD LYS 31 1HD LYS 31 -6.393 -13.227 -2.292 1102 2HD LYS 31 2HD LYS 31 -5.902 -13.547 -0.625 1103 1HE LYS 31 1HE LYS 31 -7.950 -12.678 0.223 1104 2HE LYS 31 2HE LYS 31 -8.406 -12.038 -1.356 1105 1HZ LYS 31 1HZ LYS 31 -8.071 -14.929 -0.769 1106 2HZ LYS 31 2HZ LYS 31 -8.684 -14.244 -2.187 1107 3HZ LYS 31 3HZ LYS 31 -9.558 -14.123 -0.745 1108 H GLN 32 H GLN 32 -2.444 -13.251 -2.928 1109 HA GLN 32 HA GLN 32 -3.022 -15.535 -1.384 1110 1HB GLN 32 1HB GLN 32 -2.706 -15.492 -3.868 1111 2HB GLN 32 2HB GLN 32 -0.978 -15.313 -3.596 1112 1HG GLN 32 1HG GLN 32 -1.108 -17.563 -3.898 1113 2HG GLN 32 2HG GLN 32 -1.308 -17.477 -2.149 1114 1HE2 GLN 32 1HE2 GLN 32 -3.432 -17.672 -1.280 1115 2HE2 GLN 32 2HE2 GLN 32 -4.661 -18.515 -2.152 1116 H PHE 33 H PHE 33 0.023 -13.714 -1.859 1117 HA PHE 33 HA PHE 33 1.590 -15.473 -0.303 1118 1HB PHE 33 1HB PHE 33 2.837 -14.224 -1.792 1119 2HB PHE 33 2HB PHE 33 1.923 -12.757 -1.493 1120 HD1 PHE 33 HD1 PHE 33 4.053 -15.040 0.588 1121 HD2 PHE 33 HD2 PHE 33 3.170 -11.076 -0.678 1122 HE1 PHE 33 HE1 PHE 33 5.860 -14.180 2.026 1123 HE2 PHE 33 HE2 PHE 33 4.965 -10.208 0.762 1124 HZ PHE 33 HZ PHE 33 6.308 -11.754 2.119 1125 H PHE 34 H PHE 34 0.000 -12.386 0.485 1126 HA PHE 34 HA PHE 34 0.974 -12.442 3.166 1127 1HB PHE 34 1HB PHE 34 -0.867 -10.646 1.654 1128 2HB PHE 34 2HB PHE 34 -0.809 -10.547 3.417 1129 HD1 PHE 34 HD1 PHE 34 1.166 -10.192 0.326 1130 HD2 PHE 34 HD2 PHE 34 1.082 -9.652 4.547 1131 HE1 PHE 34 HE1 PHE 34 3.257 -8.903 0.200 1132 HE2 PHE 34 HE2 PHE 34 3.170 -8.360 4.427 1133 HZ PHE 34 HZ PHE 34 4.268 -7.993 2.254 1134 H ASN 35 H ASN 35 -1.981 -13.564 1.644 1135 HA ASN 35 HA ASN 35 -3.577 -13.820 3.928 1136 1HB ASN 35 1HB ASN 35 -3.489 -15.260 1.308 1137 2HB ASN 35 2HB ASN 35 -4.517 -15.884 2.592 1138 1HD2 ASN 35 1HD2 ASN 35 -3.919 -12.443 2.203 1139 2HD2 ASN 35 2HD2 ASN 35 -5.512 -12.047 1.668 1140 H ASP 36 H ASP 36 -0.896 -15.719 2.811 1141 HA ASP 36 HA ASP 36 -1.275 -18.050 4.323 1142 1HB ASP 36 1HB ASP 36 1.250 -16.741 3.308 1143 2HB ASP 36 2HB ASP 36 1.200 -18.343 4.037 1144 H ASN 37 H ASN 37 -0.439 -14.893 5.346 1145 HA ASN 37 HA ASN 37 0.648 -15.938 7.875 1146 1HB ASN 37 1HB ASN 37 1.608 -13.742 8.274 1147 2HB ASN 37 2HB ASN 37 2.111 -14.348 6.701 1148 1HD2 ASN 37 1HD2 ASN 37 2.043 -12.940 5.132 1149 2HD2 ASN 37 2HD2 ASN 37 1.007 -11.562 5.036 1150 H GLY 38 H GLY 38 -2.099 -14.329 6.528 1151 1HA GLY 38 1HA GLY 38 -4.025 -14.584 8.156 1152 2HA GLY 38 2HA GLY 38 -3.016 -13.667 9.259 1153 H VAL 39 H VAL 39 -2.810 -12.619 5.989 1154 HA VAL 39 HA VAL 39 -4.253 -10.196 6.704 1155 HB VAL 39 HB VAL 39 -2.801 -10.799 4.126 1156 1HG1 VAL 39 1HG1 VAL 39 -2.642 -8.203 4.231 1157 2HG1 VAL 39 2HG1 VAL 39 -4.024 -8.347 5.319 1158 3HG1 VAL 39 3HG1 VAL 39 -4.131 -8.965 3.669 1159 1HG2 VAL 39 1HG2 VAL 39 -1.811 -10.046 6.790 1160 2HG2 VAL 39 2HG2 VAL 39 -1.179 -9.088 5.452 1161 3HG2 VAL 39 3HG2 VAL 39 -0.981 -10.840 5.452 1162 H ASP 40 H ASP 40 -6.084 -9.434 5.672 1163 HA ASP 40 HA ASP 40 -7.250 -10.913 3.477 1164 1HB ASP 40 1HB ASP 40 -8.636 -10.784 6.160 1165 2HB ASP 40 2HB ASP 40 -9.373 -11.361 4.669 1166 H GLY 41 H GLY 41 -9.672 -9.968 3.231 1167 1HA GLY 41 1HA GLY 41 -10.980 -7.912 3.510 1168 2HA GLY 41 2HA GLY 41 -9.460 -7.033 3.535 1169 H GLU 42 H GLU 42 -9.836 -5.698 1.806 1170 HA GLU 42 HA GLU 42 -9.620 -6.938 -0.805 1171 1HB GLU 42 1HB GLU 42 -11.995 -5.276 0.010 1172 2HB GLU 42 2HB GLU 42 -11.527 -5.486 -1.672 1173 1HG GLU 42 1HG GLU 42 -13.005 -7.179 -1.542 1174 2HG GLU 42 2HG GLU 42 -11.592 -8.046 -0.942 1175 H TRP 43 H TRP 43 -9.137 -5.395 -2.509 1176 HA TRP 43 HA TRP 43 -7.341 -3.361 -1.598 1177 1HB TRP 43 1HB TRP 43 -8.252 -4.187 -4.354 1178 2HB TRP 43 2HB TRP 43 -7.070 -2.913 -4.067 1179 HD1 TRP 43 HD1 TRP 43 -7.451 -6.682 -4.112 1180 HE1 TRP 43 HE1 TRP 43 -5.139 -7.770 -3.806 1181 HE3 TRP 43 HE3 TRP 43 -4.745 -2.515 -2.912 1182 HZ2 TRP 43 HZ2 TRP 43 -2.517 -6.968 -3.143 1183 HZ3 TRP 43 HZ3 TRP 43 -2.340 -2.761 -2.455 1184 HH2 TRP 43 HH2 TRP 43 -1.250 -4.944 -2.568 1185 H THR 44 H THR 44 -7.838 -1.413 -1.027 1186 HA THR 44 HA THR 44 -10.255 -0.172 -2.153 1187 HB THR 44 HB THR 44 -10.350 1.199 -0.139 1188 HG1 THR 44 HG1 THR 44 -8.614 1.444 0.980 1189 1HG2 THR 44 1HG2 THR 44 -11.153 -1.308 -0.187 1190 2HG2 THR 44 2HG2 THR 44 -11.216 -0.340 1.286 1191 3HG2 THR 44 3HG2 THR 44 -9.895 -1.482 1.038 1192 H TYR 45 H TYR 45 -10.149 1.831 -2.995 1193 HA TYR 45 HA TYR 45 -7.653 2.694 -4.057 1194 1HB TYR 45 1HB TYR 45 -10.451 3.774 -4.136 1195 2HB TYR 45 2HB TYR 45 -9.112 4.747 -4.735 1196 HD1 TYR 45 HD1 TYR 45 -11.326 1.972 -5.409 1197 HD2 TYR 45 HD2 TYR 45 -7.735 3.893 -6.640 1198 HE1 TYR 45 HE1 TYR 45 -11.440 0.792 -7.563 1199 HE2 TYR 45 HE2 TYR 45 -7.839 2.720 -8.798 1200 HH TYR 45 HH TYR 45 -10.612 1.026 -9.838 1201 H ASP 46 H ASP 46 -6.408 4.477 -3.568 1202 HA ASP 46 HA ASP 46 -6.401 5.309 -0.837 1203 1HB ASP 46 1HB ASP 46 -4.783 6.034 -3.267 1204 2HB ASP 46 2HB ASP 46 -4.601 6.941 -1.769 1205 H ASP 47 H ASP 47 -6.473 7.568 -0.124 1206 HA ASP 47 HA ASP 47 -8.799 8.897 -1.039 1207 1HB ASP 47 1HB ASP 47 -7.686 8.962 1.299 1208 2HB ASP 47 2HB ASP 47 -6.680 10.239 0.621 1209 H ALA 48 H ALA 48 -9.090 10.423 -2.538 1210 HA ALA 48 HA ALA 48 -7.189 11.021 -4.467 1211 1HB ALA 48 1HB ALA 48 -8.745 12.757 -5.231 1212 2HB ALA 48 2HB ALA 48 -9.654 12.590 -3.730 1213 3HB ALA 48 3HB ALA 48 -9.570 11.243 -4.864 1214 H THR 49 H THR 49 -5.852 12.724 -4.887 1215 HA THR 49 HA THR 49 -5.603 14.847 -2.884 1216 HB THR 49 HB THR 49 -3.223 13.322 -3.956 1217 HG1 THR 49 HG1 THR 49 -4.503 12.063 -2.505 1218 1HG2 THR 49 1HG2 THR 49 -1.994 14.417 -2.156 1219 2HG2 THR 49 2HG2 THR 49 -3.441 15.332 -1.727 1220 3HG2 THR 49 3HG2 THR 49 -2.668 15.585 -3.294 1221 H LYS 50 H LYS 50 -4.453 16.741 -3.676 1222 HA LYS 50 HA LYS 50 -4.380 16.885 -6.620 1223 1HB LYS 50 1HB LYS 50 -5.538 18.821 -4.633 1224 2HB LYS 50 2HB LYS 50 -5.044 19.346 -6.236 1225 1HG LYS 50 1HG LYS 50 -6.641 17.943 -7.286 1226 2HG LYS 50 2HG LYS 50 -6.993 17.107 -5.772 1227 1HD LYS 50 1HD LYS 50 -7.585 19.576 -4.992 1228 2HD LYS 50 2HD LYS 50 -7.873 19.780 -6.721 1229 1HE LYS 50 1HE LYS 50 -9.638 18.319 -6.741 1230 2HE LYS 50 2HE LYS 50 -9.031 17.399 -5.365 1231 1HZ LYS 50 1HZ LYS 50 -10.324 20.070 -5.284 1232 2HZ LYS 50 2HZ LYS 50 -9.614 19.318 -3.945 1233 3HZ LYS 50 3HZ LYS 50 -10.958 18.615 -4.696 1234 H THR 51 H THR 51 -2.442 17.322 -7.365 1235 HA THR 51 HA THR 51 -0.530 18.758 -5.655 1236 HB THR 51 HB THR 51 -0.123 16.824 -7.948 1237 HG1 THR 51 HG1 THR 51 0.808 15.570 -6.352 1238 1HG2 THR 51 1HG2 THR 51 1.694 18.857 -7.023 1239 2HG2 THR 51 2HG2 THR 51 1.870 17.707 -8.348 1240 3HG2 THR 51 3HG2 THR 51 2.333 17.244 -6.710 1241 H PHE 52 H PHE 52 0.277 20.690 -6.280 1242 HA PHE 52 HA PHE 52 -0.913 21.985 -8.564 1243 1HB PHE 52 1HB PHE 52 -0.579 23.151 -6.390 1244 2HB PHE 52 2HB PHE 52 1.162 23.053 -6.642 1245 HD1 PHE 52 HD1 PHE 52 -1.967 24.555 -7.870 1246 HD2 PHE 52 HD2 PHE 52 2.282 24.548 -8.102 1247 HE1 PHE 52 HE1 PHE 52 -2.036 26.670 -9.125 1248 HE2 PHE 52 HE2 PHE 52 2.222 26.663 -9.356 1249 HZ PHE 52 HZ PHE 52 0.061 27.728 -9.869 1250 H THR 53 H THR 53 -0.105 21.819 -10.546 1251 HA THR 53 HA THR 53 2.722 21.172 -10.903 1252 HB THR 53 HB THR 53 0.486 21.309 -12.938 1253 HG1 THR 53 HG1 THR 53 0.566 19.046 -12.803 1254 1HG2 THR 53 1HG2 THR 53 2.121 21.262 -14.441 1255 2HG2 THR 53 2HG2 THR 53 2.385 19.599 -13.912 1256 3HG2 THR 53 3HG2 THR 53 3.350 20.907 -13.226 1257 H VAL 54 H VAL 54 4.176 22.688 -11.395 1258 HA VAL 54 HA VAL 54 3.402 25.408 -11.722 1259 HB VAL 54 HB VAL 54 6.149 24.352 -12.329 1260 1HG1 VAL 54 1HG1 VAL 54 6.747 26.594 -11.297 1261 2HG1 VAL 54 2HG1 VAL 54 5.032 26.987 -11.425 1262 3HG1 VAL 54 3HG1 VAL 54 5.966 26.629 -12.878 1263 1HG2 VAL 54 1HG2 VAL 54 6.526 24.966 -9.826 1264 2HG2 VAL 54 2HG2 VAL 54 5.869 23.385 -10.246 1265 3HG2 VAL 54 3HG2 VAL 54 4.795 24.664 -9.683 1266 H THR 55 H THR 55 3.895 26.793 -13.500 1267 HA THR 55 HA THR 55 4.289 25.487 -16.083 1268 HB THR 55 HB THR 55 1.986 27.357 -15.505 1269 HG1 THR 55 HG1 THR 55 1.727 25.156 -14.813 1270 1HG2 THR 55 1HG2 THR 55 1.941 27.806 -17.669 1271 2HG2 THR 55 2HG2 THR 55 1.592 26.100 -17.954 1272 3HG2 THR 55 3HG2 THR 55 3.258 26.677 -17.989 1273 H GLU 56 H GLU 56 3.276 28.772 -15.223 1274 HA GLU 56 HA GLU 56 5.767 30.010 -15.322 1275 1HB GLU 56 1HB GLU 56 5.539 31.112 -17.604 1276 2HB GLU 56 2HB GLU 56 6.045 29.429 -17.594 1277 1HG GLU 56 1HG GLU 56 3.975 28.675 -18.351 1278 2HG GLU 56 2HG GLU 56 3.172 30.188 -17.930 1279 1H MET 1 1H MET 1 1.261 2.509 -12.351 1280 2H MET 1 2H MET 1 -0.036 1.582 -12.987 1281 3H MET 1 3H MET 1 1.128 0.844 -11.964 1282 HA MET 1 HA MET 1 -0.578 3.071 -11.108 1283 1HB MET 1 1HB MET 1 -1.128 0.167 -11.400 1284 2HB MET 1 2HB MET 1 -1.674 0.925 -9.911 1285 1HG MET 1 1HG MET 1 -2.341 2.415 -12.340 1286 2HG MET 1 2HG MET 1 -3.087 0.822 -12.229 1287 1HE MET 1 1HE MET 1 -3.494 3.824 -8.757 1288 2HE MET 1 2HE MET 1 -2.334 4.034 -10.067 1289 3HE MET 1 3HE MET 1 -2.161 2.685 -8.945 1290 H GLN 2 H GLN 2 -0.353 3.555 -8.966 1291 HA GLN 2 HA GLN 2 2.029 2.495 -7.667 1292 1HB GLN 2 1HB GLN 2 1.519 4.966 -7.809 1293 2HB GLN 2 2HB GLN 2 0.206 4.686 -6.675 1294 1HG GLN 2 1HG GLN 2 2.039 5.478 -5.420 1295 2HG GLN 2 2HG GLN 2 1.902 3.753 -5.086 1296 1HE2 GLN 2 1HE2 GLN 2 3.818 6.257 -6.475 1297 2HE2 GLN 2 2HE2 GLN 2 5.212 5.296 -6.821 1298 H TYR 3 H TYR 3 1.969 0.955 -6.170 1299 HA TYR 3 HA TYR 3 -0.613 0.366 -4.890 1300 1HB TYR 3 1HB TYR 3 1.676 -1.375 -5.721 1301 2HB TYR 3 2HB TYR 3 0.598 -1.899 -4.433 1302 HD1 TYR 3 HD1 TYR 3 0.932 -1.302 -8.015 1303 HD2 TYR 3 HD2 TYR 3 -1.758 -2.382 -4.901 1304 HE1 TYR 3 HE1 TYR 3 -0.668 -2.127 -9.691 1305 HE2 TYR 3 HE2 TYR 3 -3.365 -3.211 -6.567 1306 HH TYR 3 HH TYR 3 -3.891 -2.864 -8.949 1307 H LYS 4 H LYS 4 -0.846 0.441 -2.802 1308 HA LYS 4 HA LYS 4 1.503 1.048 -1.127 1309 1HB LYS 4 1HB LYS 4 -1.377 1.835 -0.980 1310 2HB LYS 4 2HB LYS 4 -0.448 1.749 0.510 1311 1HG LYS 4 1HG LYS 4 1.256 3.229 -0.782 1312 2HG LYS 4 2HG LYS 4 -0.128 3.588 -1.816 1313 1HD LYS 4 1HD LYS 4 -1.386 4.169 0.306 1314 2HD LYS 4 2HD LYS 4 0.170 4.098 1.136 1315 1HE LYS 4 1HE LYS 4 1.043 5.881 -0.171 1316 2HE LYS 4 2HE LYS 4 -0.329 5.828 -1.274 1317 1HZ LYS 4 1HZ LYS 4 -1.725 6.421 0.728 1318 2HZ LYS 4 2HZ LYS 4 -0.717 7.641 0.131 1319 3HZ LYS 4 3HZ LYS 4 -0.277 6.788 1.522 1320 H VAL 5 H VAL 5 2.120 -0.298 0.455 1321 HA VAL 5 HA VAL 5 0.240 -2.301 1.468 1322 HB VAL 5 HB VAL 5 3.003 -3.087 0.540 1323 1HG1 VAL 5 1HG1 VAL 5 0.780 -5.005 1.018 1324 2HG1 VAL 5 2HG1 VAL 5 1.604 -4.308 2.413 1325 3HG1 VAL 5 3HG1 VAL 5 2.520 -5.218 1.212 1326 1HG2 VAL 5 1HG2 VAL 5 1.629 -4.390 -1.212 1327 2HG2 VAL 5 2HG2 VAL 5 1.919 -2.671 -1.478 1328 3HG2 VAL 5 3HG2 VAL 5 0.358 -3.218 -0.865 1329 H ILE 6 H ILE 6 0.374 -2.500 3.618 1330 HA ILE 6 HA ILE 6 2.621 -1.230 4.993 1331 HB ILE 6 HB ILE 6 0.068 -2.260 6.224 1332 1HG1 ILE 6 1HG1 ILE 6 0.715 0.554 5.319 1333 2HG1 ILE 6 2HG1 ILE 6 -0.396 -0.539 4.500 1334 1HG2 ILE 6 1HG2 ILE 6 0.645 -0.837 8.087 1335 2HG2 ILE 6 2HG2 ILE 6 2.065 -0.239 7.230 1336 3HG2 ILE 6 3HG2 ILE 6 1.989 -1.925 7.740 1337 1HD1 ILE 6 1HD1 ILE 6 -0.804 0.193 7.368 1338 2HD1 ILE 6 2HD1 ILE 6 -1.976 -0.394 6.189 1339 3HD1 ILE 6 3HD1 ILE 6 -1.351 1.251 6.067 1340 H LEU 7 H LEU 7 4.209 -2.412 5.881 1341 HA LEU 7 HA LEU 7 3.605 -5.134 6.786 1342 1HB LEU 7 1HB LEU 7 5.570 -4.309 4.732 1343 2HB LEU 7 2HB LEU 7 6.147 -5.466 5.918 1344 HG LEU 7 HG LEU 7 3.905 -6.723 5.282 1345 1HD1 LEU 7 1HD1 LEU 7 3.545 -4.646 3.655 1346 2HD1 LEU 7 2HD1 LEU 7 2.978 -6.270 3.265 1347 3HD1 LEU 7 3HD1 LEU 7 4.489 -5.675 2.577 1348 1HD2 LEU 7 1HD2 LEU 7 5.230 -8.220 4.203 1349 2HD2 LEU 7 2HD2 LEU 7 6.504 -7.194 4.864 1350 3HD2 LEU 7 3HD2 LEU 7 5.986 -6.988 3.192 1351 H ASN 8 H ASN 8 4.026 -5.191 8.897 1352 HA ASN 8 HA ASN 8 6.560 -4.245 9.908 1353 1HB ASN 8 1HB ASN 8 5.457 -2.866 11.708 1354 2HB ASN 8 2HB ASN 8 5.375 -2.176 10.089 1355 1HD2 ASN 8 1HD2 ASN 8 3.610 -3.481 12.733 1356 2HD2 ASN 8 2HD2 ASN 8 2.028 -3.175 12.111 1357 H GLY 9 H GLY 9 7.213 -5.967 11.021 1358 1HA GLY 9 1HA GLY 9 5.625 -8.037 11.974 1359 2HA GLY 9 2HA GLY 9 7.247 -7.683 12.546 1360 H LYS 10 H LYS 10 4.184 -8.150 13.542 1361 HA LYS 10 HA LYS 10 4.700 -6.904 16.108 1362 1HB LYS 10 1HB LYS 10 3.543 -5.130 14.847 1363 2HB LYS 10 2HB LYS 10 2.212 -6.232 14.525 1364 1HG LYS 10 1HG LYS 10 1.695 -6.349 16.888 1365 2HG LYS 10 2HG LYS 10 3.077 -5.317 17.260 1366 1HD LYS 10 1HD LYS 10 2.059 -3.427 16.439 1367 2HD LYS 10 2HD LYS 10 1.029 -4.334 15.330 1368 1HE LYS 10 1HE LYS 10 -0.612 -4.514 16.839 1369 2HE LYS 10 2HE LYS 10 0.505 -4.955 18.128 1370 1HZ LYS 10 1HZ LYS 10 1.066 -2.376 17.874 1371 2HZ LYS 10 2HZ LYS 10 -0.123 -2.961 18.926 1372 3HZ LYS 10 3HZ LYS 10 -0.562 -2.350 17.411 1373 H THR 11 H THR 11 3.138 -7.610 17.767 1374 HA THR 11 HA THR 11 1.610 -10.003 17.044 1375 HB THR 11 HB THR 11 3.705 -10.916 17.769 1376 HG1 THR 11 HG1 THR 11 2.003 -12.053 18.614 1377 1HG2 THR 11 1HG2 THR 11 3.763 -10.021 20.504 1378 2HG2 THR 11 2HG2 THR 11 3.943 -8.673 19.381 1379 3HG2 THR 11 3HG2 THR 11 5.046 -10.046 19.295 1380 H LEU 12 H LEU 12 -0.145 -10.452 18.374 1381 HA LEU 12 HA LEU 12 -0.649 -8.690 20.648 1382 1HB LEU 12 1HB LEU 12 -2.226 -8.768 18.113 1383 2HB LEU 12 2HB LEU 12 -3.072 -8.502 19.625 1384 HG LEU 12 HG LEU 12 -0.745 -6.790 18.786 1385 1HD1 LEU 12 1HD1 LEU 12 -2.109 -6.279 17.031 1386 2HD1 LEU 12 2HD1 LEU 12 -2.772 -5.187 18.246 1387 3HD1 LEU 12 3HD1 LEU 12 -3.579 -6.717 17.901 1388 1HD2 LEU 12 1HD2 LEU 12 -3.030 -6.396 20.715 1389 2HD2 LEU 12 2HD2 LEU 12 -1.806 -5.186 20.324 1390 3HD2 LEU 12 3HD2 LEU 12 -1.340 -6.684 21.131 1391 H LYS 13 H LYS 13 -0.013 -11.266 20.992 1392 HA LYS 13 HA LYS 13 -2.558 -12.440 21.837 1393 1HB LYS 13 1HB LYS 13 -0.441 -13.839 20.209 1394 2HB LYS 13 2HB LYS 13 -1.663 -14.706 21.129 1395 1HG LYS 13 1HG LYS 13 -3.358 -14.098 19.723 1396 2HG LYS 13 2HG LYS 13 -2.551 -12.612 19.216 1397 1HD LYS 13 1HD LYS 13 -2.219 -13.831 17.327 1398 2HD LYS 13 2HD LYS 13 -0.809 -14.380 18.237 1399 1HE LYS 13 1HE LYS 13 -2.128 -16.312 19.033 1400 2HE LYS 13 2HE LYS 13 -3.474 -15.779 18.028 1401 1HZ LYS 13 1HZ LYS 13 -2.465 -17.287 16.661 1402 2HZ LYS 13 2HZ LYS 13 -0.907 -16.951 17.225 1403 3HZ LYS 13 3HZ LYS 13 -1.671 -15.877 16.168 1404 H GLY 14 H GLY 14 -2.143 -14.388 23.305 1405 1HA GLY 14 1HA GLY 14 -0.626 -13.540 25.516 1406 2HA GLY 14 2HA GLY 14 -1.316 -15.141 25.309 1407 H GLU 15 H GLU 15 -0.026 -16.298 23.335 1408 HA GLU 15 HA GLU 15 2.598 -16.723 24.412 1409 1HB GLU 15 1HB GLU 15 1.336 -17.849 21.905 1410 2HB GLU 15 2HB GLU 15 2.808 -18.433 22.667 1411 1HG GLU 15 1HG GLU 15 0.915 -18.488 24.694 1412 2HG GLU 15 2HG GLU 15 0.047 -19.039 23.263 1413 H THR 16 H THR 16 4.489 -16.902 22.804 1414 HA THR 16 HA THR 16 4.705 -14.318 21.474 1415 HB THR 16 HB THR 16 6.475 -15.012 23.043 1416 HG1 THR 16 HG1 THR 16 8.198 -14.519 21.659 1417 1HG2 THR 16 1HG2 THR 16 6.348 -17.480 22.381 1418 2HG2 THR 16 2HG2 THR 16 7.934 -16.783 22.704 1419 3HG2 THR 16 3HG2 THR 16 7.402 -17.031 21.042 1420 H THR 17 H THR 17 4.030 -14.256 19.437 1421 HA THR 17 HA THR 17 4.229 -16.590 17.725 1422 HB THR 17 HB THR 17 3.010 -15.190 16.085 1423 HG1 THR 17 HG1 THR 17 2.444 -13.123 16.593 1424 1HG2 THR 17 1HG2 THR 17 1.059 -15.664 17.022 1425 2HG2 THR 17 2HG2 THR 17 1.351 -14.565 18.369 1426 3HG2 THR 17 3HG2 THR 17 1.974 -16.214 18.424 1427 H THR 18 H THR 18 4.914 -16.109 15.372 1428 HA THR 18 HA THR 18 7.568 -14.874 15.498 1429 HB THR 18 HB THR 18 8.069 -16.156 13.477 1430 HG1 THR 18 HG1 THR 18 6.500 -17.566 12.639 1431 1HG2 THR 18 1HG2 THR 18 8.066 -18.350 14.332 1432 2HG2 THR 18 2HG2 THR 18 6.679 -18.022 15.369 1433 3HG2 THR 18 3HG2 THR 18 8.238 -17.276 15.719 1434 H GLU 19 H GLU 19 8.304 -13.482 13.823 1435 HA GLU 19 HA GLU 19 6.424 -11.532 13.033 1436 1HB GLU 19 1HB GLU 19 9.307 -12.047 12.388 1437 2HB GLU 19 2HB GLU 19 8.421 -10.802 11.517 1438 1HG GLU 19 1HG GLU 19 8.223 -9.456 13.354 1439 2HG GLU 19 2HG GLU 19 8.323 -10.803 14.488 1440 H ALA 20 H ALA 20 5.375 -11.153 11.140 1441 HA ALA 20 HA ALA 20 5.665 -13.190 9.030 1442 1HB ALA 20 1HB ALA 20 3.551 -13.575 9.930 1443 2HB ALA 20 2HB ALA 20 3.228 -12.573 8.517 1444 3HB ALA 20 3HB ALA 20 3.219 -11.855 10.126 1445 H VAL 21 H VAL 21 4.327 -9.929 9.443 1446 HA VAL 21 HA VAL 21 5.127 -9.257 6.726 1447 HB VAL 21 HB VAL 21 3.987 -7.041 7.266 1448 1HG1 VAL 21 1HG1 VAL 21 1.959 -9.164 7.605 1449 2HG1 VAL 21 2HG1 VAL 21 3.034 -9.305 6.212 1450 3HG1 VAL 21 3HG1 VAL 21 2.050 -7.855 6.425 1451 1HG2 VAL 21 1HG2 VAL 21 4.125 -7.376 9.755 1452 2HG2 VAL 21 2HG2 VAL 21 2.846 -8.579 9.591 1453 3HG2 VAL 21 3HG2 VAL 21 2.539 -6.899 9.147 1454 H ASP 22 H ASP 22 7.405 -9.324 7.155 1455 HA ASP 22 HA ASP 22 8.472 -7.138 8.794 1456 1HB ASP 22 1HB ASP 22 9.346 -9.465 9.095 1457 2HB ASP 22 2HB ASP 22 9.953 -9.404 7.442 1458 H ALA 23 H ALA 23 9.701 -5.539 8.006 1459 HA ALA 23 HA ALA 23 9.250 -4.478 5.519 1460 1HB ALA 23 1HB ALA 23 10.368 -2.808 6.455 1461 2HB ALA 23 2HB ALA 23 11.873 -3.729 6.383 1462 3HB ALA 23 3HB ALA 23 10.805 -3.886 7.782 1463 H ALA 24 H ALA 24 11.903 -6.605 6.502 1464 HA ALA 24 HA ALA 24 13.294 -6.554 4.034 1465 1HB ALA 24 1HB ALA 24 14.570 -8.402 4.907 1466 2HB ALA 24 2HB ALA 24 13.355 -8.700 6.148 1467 3HB ALA 24 3HB ALA 24 14.311 -7.220 6.189 1468 H THR 25 H THR 25 10.612 -8.426 5.255 1469 HA THR 25 HA THR 25 10.694 -10.580 3.452 1470 HB THR 25 HB THR 25 8.342 -9.280 4.845 1471 HG1 THR 25 HG1 THR 25 8.687 -10.750 6.406 1472 1HG2 THR 25 1HG2 THR 25 7.046 -10.558 3.577 1473 2HG2 THR 25 2HG2 THR 25 7.659 -11.888 4.564 1474 3HG2 THR 25 3HG2 THR 25 8.401 -11.534 3.004 1475 H PHE 26 H PHE 26 9.241 -7.385 3.239 1476 HA PHE 26 HA PHE 26 7.887 -7.810 0.786 1477 1HB PHE 26 1HB PHE 26 7.545 -5.913 2.501 1478 2HB PHE 26 2HB PHE 26 8.890 -5.121 1.685 1479 HD1 PHE 26 HD1 PHE 26 5.525 -6.562 1.118 1480 HD2 PHE 26 HD2 PHE 26 8.552 -3.924 -0.290 1481 HE1 PHE 26 HE1 PHE 26 3.976 -5.704 -0.590 1482 HE2 PHE 26 HE2 PHE 26 7.009 -3.060 -2.000 1483 HZ PHE 26 HZ PHE 26 4.718 -3.950 -2.152 1484 H GLU 27 H GLU 27 11.028 -6.351 1.566 1485 HA GLU 27 HA GLU 27 11.768 -5.609 -1.013 1486 1HB GLU 27 1HB GLU 27 13.565 -6.534 1.230 1487 2HB GLU 27 2HB GLU 27 14.076 -5.620 -0.181 1488 1HG GLU 27 1HG GLU 27 12.448 -3.830 0.564 1489 2HG GLU 27 2HG GLU 27 12.331 -4.715 2.083 1490 H LYS 28 H LYS 28 12.576 -8.626 0.712 1491 HA LYS 28 HA LYS 28 13.993 -9.771 -1.433 1492 1HB LYS 28 1HB LYS 28 14.095 -10.429 1.004 1493 2HB LYS 28 2HB LYS 28 12.586 -11.294 0.754 1494 1HG LYS 28 1HG LYS 28 13.803 -12.524 -1.122 1495 2HG LYS 28 2HG LYS 28 15.281 -11.860 -0.426 1496 1HD LYS 28 1HD LYS 28 13.309 -13.316 1.292 1497 2HD LYS 28 2HD LYS 28 14.481 -14.207 0.321 1498 1HE LYS 28 1HE LYS 28 16.272 -12.801 1.392 1499 2HE LYS 28 2HE LYS 28 15.034 -12.193 2.489 1500 1HZ LYS 28 1HZ LYS 28 15.874 -15.026 2.190 1501 2HZ LYS 28 2HZ LYS 28 14.624 -14.488 3.196 1502 3HZ LYS 28 3HZ LYS 28 16.219 -14.011 3.500 1503 H VAL 29 H VAL 29 10.629 -10.382 -0.338 1504 HA VAL 29 HA VAL 29 10.043 -12.306 -2.291 1505 HB VAL 29 HB VAL 29 8.117 -10.407 -0.943 1506 1HG1 VAL 29 1HG1 VAL 29 7.607 -13.083 -2.245 1507 2HG1 VAL 29 2HG1 VAL 29 7.162 -11.515 -2.921 1508 3HG1 VAL 29 3HG1 VAL 29 6.412 -12.078 -1.425 1509 1HG2 VAL 29 1HG2 VAL 29 9.722 -12.068 0.382 1510 2HG2 VAL 29 2HG2 VAL 29 8.447 -13.210 -0.044 1511 3HG2 VAL 29 3HG2 VAL 29 8.058 -11.759 0.881 1512 H VAL 30 H VAL 30 9.654 -8.792 -2.322 1513 HA VAL 30 HA VAL 30 8.298 -8.761 -4.828 1514 HB VAL 30 HB VAL 30 9.680 -6.486 -3.398 1515 1HG1 VAL 30 1HG1 VAL 30 8.245 -5.028 -4.756 1516 2HG1 VAL 30 2HG1 VAL 30 7.645 -6.438 -5.629 1517 3HG1 VAL 30 3HG1 VAL 30 9.343 -5.977 -5.759 1518 1HG2 VAL 30 1HG2 VAL 30 7.677 -6.016 -2.324 1519 2HG2 VAL 30 2HG2 VAL 30 7.744 -7.777 -2.269 1520 3HG2 VAL 30 3HG2 VAL 30 6.727 -6.971 -3.462 1521 H LYS 31 H LYS 31 11.719 -8.119 -3.921 1522 HA LYS 31 HA LYS 31 12.530 -7.366 -6.496 1523 1HB LYS 31 1HB LYS 31 13.758 -7.157 -4.233 1524 2HB LYS 31 2HB LYS 31 14.294 -8.806 -4.528 1525 1HG LYS 31 1HG LYS 31 14.710 -7.001 -6.790 1526 2HG LYS 31 2HG LYS 31 15.591 -6.544 -5.331 1527 1HD LYS 31 1HD LYS 31 16.247 -9.069 -5.273 1528 2HD LYS 31 2HD LYS 31 15.813 -9.027 -6.984 1529 1HE LYS 31 1HE LYS 31 17.443 -7.345 -7.433 1530 2HE LYS 31 2HE LYS 31 17.748 -7.100 -5.715 1531 1HZ LYS 31 1HZ LYS 31 18.289 -9.651 -7.129 1532 2HZ LYS 31 2HZ LYS 31 18.758 -9.230 -5.560 1533 3HZ LYS 31 3HZ LYS 31 19.454 -8.448 -6.888 1534 H GLN 32 H GLN 32 12.541 -10.505 -4.851 1535 HA GLN 32 HA GLN 32 13.731 -11.950 -6.958 1536 1HB GLN 32 1HB GLN 32 13.533 -12.721 -4.582 1537 2HB GLN 32 2HB GLN 32 11.826 -13.025 -4.875 1538 1HG GLN 32 1HG GLN 32 12.672 -15.107 -5.225 1539 2HG GLN 32 2HG GLN 32 12.753 -14.463 -6.864 1540 1HE2 GLN 32 1HE2 GLN 32 14.782 -13.751 -7.663 1541 2HE2 GLN 32 2HE2 GLN 32 16.256 -14.366 -7.006 1542 H PHE 33 H PHE 33 10.295 -11.390 -6.121 1543 HA PHE 33 HA PHE 33 9.284 -13.025 -8.190 1544 1HB PHE 33 1HB PHE 33 7.782 -12.712 -6.465 1545 2HB PHE 33 2HB PHE 33 8.175 -11.012 -6.286 1546 HD1 PHE 33 HD1 PHE 33 6.771 -13.146 -9.034 1547 HD2 PHE 33 HD2 PHE 33 6.428 -9.646 -6.640 1548 HE1 PHE 33 HE1 PHE 33 4.720 -12.519 -10.247 1549 HE2 PHE 33 HE2 PHE 33 4.385 -9.008 -7.853 1550 HZ PHE 33 HZ PHE 33 3.531 -10.438 -9.659 1551 H PHE 34 H PHE 34 9.792 -9.507 -7.983 1552 HA PHE 34 HA PHE 34 8.759 -9.091 -10.609 1553 1HB PHE 34 1HB PHE 34 10.016 -7.325 -8.561 1554 2HB PHE 34 2HB PHE 34 9.847 -6.747 -10.220 1555 HD1 PHE 34 HD1 PHE 34 8.006 -7.933 -7.257 1556 HD2 PHE 34 HD2 PHE 34 7.722 -6.200 -11.133 1557 HE1 PHE 34 HE1 PHE 34 5.626 -7.455 -6.866 1558 HE2 PHE 34 HE2 PHE 34 5.343 -5.717 -10.747 1559 HZ PHE 34 HZ PHE 34 4.287 -6.355 -8.616 1560 H ASN 35 H ASN 35 11.985 -9.619 -9.336 1561 HA ASN 35 HA ASN 35 13.471 -8.697 -11.523 1562 1HB ASN 35 1HB ASN 35 13.964 -10.780 -9.430 1563 2HB ASN 35 2HB ASN 35 15.072 -10.656 -10.791 1564 1HD2 ASN 35 1HD2 ASN 35 13.446 -7.839 -9.458 1565 2HD2 ASN 35 2HD2 ASN 35 14.859 -7.135 -8.761 1566 H ASP 36 H ASP 36 11.574 -11.577 -11.121 1567 HA ASP 36 HA ASP 36 12.590 -13.137 -13.219 1568 1HB ASP 36 1HB ASP 36 9.834 -13.030 -11.988 1569 2HB ASP 36 2HB ASP 36 10.347 -14.259 -13.143 1570 H ASN 37 H ASN 37 10.762 -10.245 -13.330 1571 HA ASN 37 HA ASN 37 9.934 -10.807 -16.101 1572 1HB ASN 37 1HB ASN 37 8.319 -9.003 -15.897 1573 2HB ASN 37 2HB ASN 37 8.107 -10.159 -14.586 1574 1HD2 ASN 37 1HD2 ASN 37 7.809 -9.307 -12.679 1575 2HD2 ASN 37 2HD2 ASN 37 8.369 -7.762 -12.148 1576 H GLY 38 H GLY 38 12.105 -8.877 -14.225 1577 1HA GLY 38 1HA GLY 38 13.934 -8.041 -15.768 1578 2HA GLY 38 2HA GLY 38 12.639 -7.211 -16.606 1579 H VAL 39 H VAL 39 12.274 -7.264 -13.187 1580 HA VAL 39 HA VAL 39 12.851 -4.414 -13.109 1581 HB VAL 39 HB VAL 39 11.785 -6.155 -10.881 1582 1HG1 VAL 39 1HG1 VAL 39 10.814 -3.819 -10.252 1583 2HG1 VAL 39 2HG1 VAL 39 12.125 -3.210 -11.263 1584 3HG1 VAL 39 3HG1 VAL 39 12.489 -4.209 -9.855 1585 1HG2 VAL 39 1HG2 VAL 39 10.482 -5.021 -13.263 1586 2HG2 VAL 39 2HG2 VAL 39 9.647 -4.730 -11.737 1587 3HG2 VAL 39 3HG2 VAL 39 10.006 -6.380 -12.246 1588 H ASP 40 H ASP 40 14.398 -3.447 -11.816 1589 HA ASP 40 HA ASP 40 16.070 -5.052 -10.086 1590 1HB ASP 40 1HB ASP 40 17.219 -3.732 -12.553 1591 2HB ASP 40 2HB ASP 40 18.167 -4.454 -11.256 1592 H GLY 41 H GLY 41 18.084 -3.504 -9.472 1593 1HA GLY 41 1HA GLY 41 18.666 -1.154 -9.089 1594 2HA GLY 41 2HA GLY 41 16.945 -0.829 -8.932 1595 H GLU 42 H GLU 42 16.975 0.006 -6.875 1596 HA GLU 42 HA GLU 42 17.280 -1.936 -4.743 1597 1HB GLU 42 1HB GLU 42 18.974 0.549 -4.938 1598 2HB GLU 42 2HB GLU 42 18.679 -0.270 -3.412 1599 1HG GLU 42 1HG GLU 42 20.605 -1.303 -3.952 1600 2HG GLU 42 2HG GLU 42 19.505 -2.361 -4.838 1601 H TRP 43 H TRP 43 16.418 -1.178 -2.694 1602 HA TRP 43 HA TRP 43 14.039 0.366 -3.067 1603 1HB TRP 43 1HB TRP 43 15.288 -0.885 -0.623 1604 2HB TRP 43 2HB TRP 43 13.755 -0.019 -0.590 1605 HD1 TRP 43 HD1 TRP 43 15.298 -3.324 -1.608 1606 HE1 TRP 43 HE1 TRP 43 13.431 -4.947 -2.321 1607 HE3 TRP 43 HE3 TRP 43 11.371 -0.054 -1.692 1608 HZ2 TRP 43 HZ2 TRP 43 10.662 -4.850 -2.849 1609 HZ3 TRP 43 HZ3 TRP 43 9.145 -0.899 -2.314 1610 HH2 TRP 43 HH2 TRP 43 8.800 -3.249 -2.881 1611 H THR 44 H THR 44 13.873 2.447 -3.031 1612 HA THR 44 HA THR 44 15.833 4.005 -1.489 1613 HB THR 44 HB THR 44 15.401 5.850 -3.021 1614 HG1 THR 44 HG1 THR 44 13.616 5.857 -4.088 1615 1HG2 THR 44 1HG2 THR 44 16.939 3.815 -3.663 1616 2HG2 THR 44 2HG2 THR 44 16.622 5.132 -4.793 1617 3HG2 THR 44 3HG2 THR 44 15.734 3.614 -4.934 1618 H TYR 45 H TYR 45 15.148 5.542 -0.109 1619 HA TYR 45 HA TYR 45 12.561 5.238 1.037 1620 1HB TYR 45 1HB TYR 45 14.881 7.066 1.557 1621 2HB TYR 45 2HB TYR 45 13.334 7.357 2.345 1622 HD1 TYR 45 HD1 TYR 45 16.329 5.333 2.292 1623 HD2 TYR 45 HD2 TYR 45 12.385 5.613 3.860 1624 HE1 TYR 45 HE1 TYR 45 16.904 3.679 4.019 1625 HE2 TYR 45 HE2 TYR 45 12.948 3.961 5.591 1626 HH TYR 45 HH TYR 45 16.150 2.989 6.232 1627 H ASP 46 H ASP 46 10.801 6.605 1.025 1628 HA ASP 46 HA ASP 46 10.407 8.138 -1.348 1629 1HB ASP 46 1HB ASP 46 8.758 7.590 1.106 1630 2HB ASP 46 2HB ASP 46 8.232 8.785 -0.072 1631 H ASP 47 H ASP 47 9.738 10.410 -1.384 1632 HA ASP 47 HA ASP 47 11.571 12.079 -0.020 1633 1HB ASP 47 1HB ASP 47 10.391 12.464 -2.290 1634 2HB ASP 47 2HB ASP 47 9.059 13.097 -1.326 1635 H ALA 48 H ALA 48 11.442 13.123 1.866 1636 HA ALA 48 HA ALA 48 9.542 12.514 3.794 1637 1HB ALA 48 1HB ALA 48 10.510 14.368 5.090 1638 2HB ALA 48 2HB ALA 48 11.371 14.906 3.648 1639 3HB ALA 48 3HB ALA 48 11.743 13.338 4.364 1640 H THR 49 H THR 49 7.764 13.519 4.622 1641 HA THR 49 HA THR 49 6.775 15.942 3.303 1642 HB THR 49 HB THR 49 5.040 13.512 3.777 1643 HG1 THR 49 HG1 THR 49 6.600 13.220 2.081 1644 1HG2 THR 49 1HG2 THR 49 3.451 14.644 2.307 1645 2HG2 THR 49 2HG2 THR 49 4.517 16.049 2.248 1646 3HG2 THR 49 3HG2 THR 49 3.772 15.570 3.774 1647 H LYS 50 H LYS 50 5.131 17.072 4.548 1648 HA LYS 50 HA LYS 50 5.155 16.336 7.403 1649 1HB LYS 50 1HB LYS 50 5.561 19.018 6.108 1650 2HB LYS 50 2HB LYS 50 4.994 18.887 7.767 1651 1HG LYS 50 1HG LYS 50 6.990 17.817 8.460 1652 2HG LYS 50 2HG LYS 50 7.523 17.589 6.794 1653 1HD LYS 50 1HD LYS 50 7.278 20.238 6.770 1654 2HD LYS 50 2HD LYS 50 7.579 20.019 8.495 1655 1HE LYS 50 1HE LYS 50 9.705 19.232 8.164 1656 2HE LYS 50 2HE LYS 50 9.339 18.606 6.557 1657 1HZ LYS 50 1HZ LYS 50 9.720 21.456 7.298 1658 2HZ LYS 50 2HZ LYS 50 9.248 20.919 5.766 1659 3HZ LYS 50 3HZ LYS 50 10.770 20.504 6.373 1660 H THR 51 H THR 51 3.215 15.921 8.159 1661 HA THR 51 HA THR 51 0.872 17.114 6.843 1662 HB THR 51 HB THR 51 1.198 14.573 8.458 1663 HG1 THR 51 HG1 THR 51 0.613 13.613 6.523 1664 1HG2 THR 51 1HG2 THR 51 -1.203 16.117 8.087 1665 2HG2 THR 51 2HG2 THR 51 -0.950 14.630 9.001 1666 3HG2 THR 51 3HG2 THR 51 -1.326 14.553 7.280 1667 H PHE 52 H PHE 52 -0.470 18.428 7.961 1668 HA PHE 52 HA PHE 52 0.363 19.316 10.575 1669 1HB PHE 52 1HB PHE 52 -0.419 20.894 8.816 1670 2HB PHE 52 2HB PHE 52 -2.027 20.189 8.942 1671 HD1 PHE 52 HD1 PHE 52 0.523 22.175 10.702 1672 HD2 PHE 52 HD2 PHE 52 -3.493 20.768 10.714 1673 HE1 PHE 52 HE1 PHE 52 -0.019 23.751 12.512 1674 HE2 PHE 52 HE2 PHE 52 -4.043 22.342 12.524 1675 HZ PHE 52 HZ PHE 52 -2.305 23.836 13.425 1676 H THR 53 H THR 53 -0.261 18.347 12.386 1677 HA THR 53 HA THR 53 -2.725 16.776 12.406 1678 HB THR 53 HB THR 53 -0.558 17.015 14.505 1679 HG1 THR 53 HG1 THR 53 0.075 14.980 13.718 1680 1HG2 THR 53 1HG2 THR 53 -2.037 16.024 15.837 1681 2HG2 THR 53 2HG2 THR 53 -1.763 14.590 14.848 1682 3HG2 THR 53 3HG2 THR 53 -3.127 15.651 14.503 1683 H VAL 54 H VAL 54 -4.556 17.557 13.239 1684 HA VAL 54 HA VAL 54 -4.654 20.169 14.369 1685 HB VAL 54 HB VAL 54 -6.907 18.182 14.523 1686 1HG1 VAL 54 1HG1 VAL 54 -8.207 20.337 14.122 1687 2HG1 VAL 54 2HG1 VAL 54 -6.695 21.176 14.469 1688 3HG1 VAL 54 3HG1 VAL 54 -7.432 20.143 15.693 1689 1HG2 VAL 54 1HG2 VAL 54 -7.572 19.324 12.280 1690 2HG2 VAL 54 2HG2 VAL 54 -6.431 17.979 12.267 1691 3HG2 VAL 54 3HG2 VAL 54 -5.842 19.637 12.135 1692 H THR 55 H THR 55 -5.465 20.761 16.445 1693 HA THR 55 HA THR 55 -5.311 18.714 18.523 1694 HB THR 55 HB THR 55 -3.737 21.291 18.612 1695 HG1 THR 55 HG1 THR 55 -2.833 19.583 17.332 1696 1HG2 THR 55 1HG2 THR 55 -3.731 21.093 20.813 1697 2HG2 THR 55 2HG2 THR 55 -2.854 19.575 20.613 1698 3HG2 THR 55 3HG2 THR 55 -4.614 19.567 20.736 1699 H GLU 56 H GLU 56 -5.414 22.252 18.693 1700 HA GLU 56 HA GLU 56 -8.163 22.563 19.029 1701 1HB GLU 56 1HB GLU 56 -8.187 22.975 21.536 1702 2HB GLU 56 2HB GLU 56 -8.125 21.293 21.023 1703 1HG GLU 56 1HG GLU 56 -5.889 21.064 21.635 1704 2HG GLU 56 2HG GLU 56 -5.634 22.807 21.695 Start of MODEL 4 1 1H MET 1 1H MET 1 10.436 20.217 -1.025 2 2H MET 1 2H MET 1 11.361 20.976 0.205 3 3H MET 1 3H MET 1 9.905 21.698 -0.345 4 HA MET 1 HA MET 1 10.078 19.070 0.964 5 1HB MET 1 1HB MET 1 9.837 21.856 2.006 6 2HB MET 1 2HB MET 1 8.901 20.597 2.798 7 1HG MET 1 1HG MET 1 11.751 20.005 2.321 8 2HG MET 1 2HG MET 1 11.393 21.261 3.506 9 1HE MET 1 1HE MET 1 10.397 17.644 2.383 10 2HE MET 1 2HE MET 1 8.849 18.329 2.881 11 3HE MET 1 3HE MET 1 9.583 17.031 3.822 12 H GLN 2 H GLN 2 8.196 17.998 1.020 13 HA GLN 2 HA GLN 2 5.953 19.117 -0.471 14 1HB GLN 2 1HB GLN 2 6.782 16.818 -0.950 15 2HB GLN 2 2HB GLN 2 6.295 16.337 0.669 16 1HG GLN 2 1HG GLN 2 3.967 16.915 0.110 17 2HG GLN 2 2HG GLN 2 4.483 17.302 -1.531 18 1HE2 GLN 2 1HE2 GLN 2 5.220 15.620 -2.879 19 2HE2 GLN 2 2HE2 GLN 2 4.786 13.975 -2.576 20 H TYR 3 H TYR 3 4.213 19.962 0.466 21 HA TYR 3 HA TYR 3 3.828 19.483 3.338 22 1HB TYR 3 1HB TYR 3 3.266 21.845 1.588 23 2HB TYR 3 2HB TYR 3 2.360 21.627 3.082 24 HD1 TYR 3 HD1 TYR 3 5.466 22.707 1.618 25 HD2 TYR 3 HD2 TYR 3 3.632 21.476 5.254 26 HE1 TYR 3 HE1 TYR 3 7.316 23.714 2.886 27 HE2 TYR 3 HE2 TYR 3 5.475 22.481 6.532 28 HH TYR 3 HH TYR 3 7.185 24.274 6.199 29 H LYS 4 H LYS 4 2.143 18.466 4.039 30 HA LYS 4 HA LYS 4 -0.080 17.902 2.191 31 1HB LYS 4 1HB LYS 4 1.139 16.375 4.457 32 2HB LYS 4 2HB LYS 4 -0.546 16.093 4.043 33 1HG LYS 4 1HG LYS 4 0.044 15.407 1.829 34 2HG LYS 4 2HG LYS 4 1.727 15.872 2.085 35 1HD LYS 4 1HD LYS 4 1.554 13.487 2.305 36 2HD LYS 4 2HD LYS 4 1.855 14.174 3.902 37 1HE LYS 4 1HE LYS 4 -0.404 13.886 4.552 38 2HE LYS 4 2HE LYS 4 -0.909 13.539 2.899 39 1HZ LYS 4 1HZ LYS 4 0.062 11.440 2.965 40 2HZ LYS 4 2HZ LYS 4 -0.649 11.590 4.491 41 3HZ LYS 4 3HZ LYS 4 1.019 11.803 4.313 42 H VAL 5 H VAL 5 -1.988 18.805 2.557 43 HA VAL 5 HA VAL 5 -2.779 19.470 5.299 44 HB VAL 5 HB VAL 5 -3.066 21.481 3.066 45 1HG1 VAL 5 1HG1 VAL 5 -4.727 21.968 4.595 46 2HG1 VAL 5 2HG1 VAL 5 -3.392 22.958 5.185 47 3HG1 VAL 5 3HG1 VAL 5 -3.766 21.424 5.971 48 1HG2 VAL 5 1HG2 VAL 5 -1.317 22.767 4.316 49 2HG2 VAL 5 2HG2 VAL 5 -0.725 21.312 3.512 50 3HG2 VAL 5 3HG2 VAL 5 -1.000 21.307 5.254 51 H ILE 6 H ILE 6 -4.783 18.793 5.692 52 HA ILE 6 HA ILE 6 -6.480 18.032 3.441 53 HB ILE 6 HB ILE 6 -6.968 17.520 6.375 54 1HG1 ILE 6 1HG1 ILE 6 -5.700 15.654 4.360 55 2HG1 ILE 6 2HG1 ILE 6 -4.795 16.564 5.565 56 1HG2 ILE 6 1HG2 ILE 6 -8.886 17.362 4.760 57 2HG2 ILE 6 2HG2 ILE 6 -8.536 15.888 5.663 58 3HG2 ILE 6 3HG2 ILE 6 -8.025 16.035 3.981 59 1HD1 ILE 6 1HD1 ILE 6 -6.261 15.404 7.293 60 2HD1 ILE 6 2HD1 ILE 6 -5.043 14.429 6.471 61 3HD1 ILE 6 3HD1 ILE 6 -6.735 14.321 5.985 62 H LEU 7 H LEU 7 -7.963 19.406 2.729 63 HA LEU 7 HA LEU 7 -9.078 21.394 4.589 64 1HB LEU 7 1HB LEU 7 -8.416 21.427 1.711 65 2HB LEU 7 2HB LEU 7 -9.927 22.207 2.136 66 HG LEU 7 HG LEU 7 -8.115 23.213 3.989 67 1HD1 LEU 7 1HD1 LEU 7 -6.262 22.282 2.697 68 2HD1 LEU 7 2HD1 LEU 7 -6.255 24.045 2.658 69 3HD1 LEU 7 3HD1 LEU 7 -6.832 23.136 1.261 70 1HD2 LEU 7 1HD2 LEU 7 -9.063 24.399 1.381 71 2HD2 LEU 7 2HD2 LEU 7 -8.364 25.305 2.724 72 3HD2 LEU 7 3HD2 LEU 7 -9.904 24.468 2.931 73 H ASN 8 H ASN 8 -11.132 21.160 5.238 74 HA ASN 8 HA ASN 8 -13.099 19.931 3.503 75 1HB ASN 8 1HB ASN 8 -11.957 18.048 4.756 76 2HB ASN 8 2HB ASN 8 -12.628 18.731 6.234 77 1HD2 ASN 8 1HD2 ASN 8 -13.089 16.146 4.922 78 2HD2 ASN 8 2HD2 ASN 8 -14.796 16.048 4.672 79 H GLY 9 H GLY 9 -14.607 21.471 3.560 80 1HA GLY 9 1HA GLY 9 -15.209 22.777 6.124 81 2HA GLY 9 2HA GLY 9 -15.635 23.396 4.536 82 H LYS 10 H LYS 10 -16.620 21.491 7.203 83 HA LYS 10 HA LYS 10 -19.304 21.321 6.131 84 1HB LYS 10 1HB LYS 10 -18.213 19.252 5.301 85 2HB LYS 10 2HB LYS 10 -17.842 18.807 6.961 86 1HG LYS 10 1HG LYS 10 -20.344 18.914 7.389 87 2HG LYS 10 2HG LYS 10 -20.527 18.973 5.635 88 1HD LYS 10 1HD LYS 10 -19.071 16.874 5.590 89 2HD LYS 10 2HD LYS 10 -19.373 16.773 7.326 90 1HE LYS 10 1HE LYS 10 -21.866 16.991 6.648 91 2HE LYS 10 2HE LYS 10 -21.299 16.513 5.049 92 1HZ LYS 10 1HZ LYS 10 -20.238 14.558 6.198 93 2HZ LYS 10 2HZ LYS 10 -21.928 14.545 6.137 94 3HZ LYS 10 3HZ LYS 10 -21.138 14.971 7.571 95 H THR 11 H THR 11 -19.782 22.722 7.860 96 HA THR 11 HA THR 11 -20.134 21.340 10.403 97 HB THR 11 HB THR 11 -19.351 23.602 11.493 98 HG1 THR 11 HG1 THR 11 -17.805 24.657 10.338 99 1HG2 THR 11 1HG2 THR 11 -18.215 21.599 12.053 100 2HG2 THR 11 2HG2 THR 11 -16.996 22.784 11.582 101 3HG2 THR 11 3HG2 THR 11 -17.464 21.506 10.460 102 H LEU 12 H LEU 12 -22.237 21.493 10.774 103 HA LEU 12 HA LEU 12 -23.751 23.773 9.795 104 1HB LEU 12 1HB LEU 12 -24.315 21.019 10.496 105 2HB LEU 12 2HB LEU 12 -25.455 22.110 11.261 106 HG LEU 12 HG LEU 12 -26.319 21.308 9.131 107 1HD1 LEU 12 1HD1 LEU 12 -26.906 23.569 9.884 108 2HD1 LEU 12 2HD1 LEU 12 -26.871 23.444 8.125 109 3HD1 LEU 12 3HD1 LEU 12 -25.536 24.216 8.982 110 1HD2 LEU 12 1HD2 LEU 12 -24.074 20.959 8.089 111 2HD2 LEU 12 2HD2 LEU 12 -23.986 22.700 7.830 112 3HD2 LEU 12 3HD2 LEU 12 -25.250 21.755 7.043 113 H LYS 13 H LYS 13 -25.270 24.911 11.214 114 HA LYS 13 HA LYS 13 -24.888 24.787 14.060 115 1HB LYS 13 1HB LYS 13 -22.986 26.247 12.829 116 2HB LYS 13 2HB LYS 13 -24.225 27.481 13.012 117 1HG LYS 13 1HG LYS 13 -24.175 26.324 15.494 118 2HG LYS 13 2HG LYS 13 -22.482 26.262 15.003 119 1HD LYS 13 1HD LYS 13 -22.398 28.367 15.779 120 2HD LYS 13 2HD LYS 13 -23.180 28.789 14.255 121 1HE LYS 13 1HE LYS 13 -24.353 29.813 16.116 122 2HE LYS 13 2HE LYS 13 -25.373 28.600 15.345 123 1HZ LYS 13 1HZ LYS 13 -25.079 27.128 17.109 124 2HZ LYS 13 2HZ LYS 13 -25.275 28.626 17.872 125 3HZ LYS 13 3HZ LYS 13 -23.731 27.952 17.716 126 H GLY 14 H GLY 14 -27.093 24.571 12.238 127 1HA GLY 14 1HA GLY 14 -29.289 25.233 12.134 128 2HA GLY 14 2HA GLY 14 -28.978 26.192 13.574 129 H GLU 15 H GLU 15 -29.935 26.348 10.434 130 HA GLU 15 HA GLU 15 -30.320 28.042 8.973 131 1HB GLU 15 1HB GLU 15 -29.787 29.585 11.494 132 2HB GLU 15 2HB GLU 15 -30.049 30.424 9.972 133 1HG GLU 15 1HG GLU 15 -32.036 28.362 10.679 134 2HG GLU 15 2HG GLU 15 -32.012 29.811 11.686 135 H THR 16 H THR 16 -29.181 28.869 7.339 136 HA THR 16 HA THR 16 -27.356 29.222 6.024 137 HB THR 16 HB THR 16 -27.772 31.423 7.081 138 HG1 THR 16 HG1 THR 16 -26.098 31.129 5.512 139 1HG2 THR 16 1HG2 THR 16 -25.925 32.149 8.712 140 2HG2 THR 16 2HG2 THR 16 -25.784 30.430 9.077 141 3HG2 THR 16 3HG2 THR 16 -27.315 31.265 9.340 142 H THR 17 H THR 17 -24.739 29.782 6.401 143 HA THR 17 HA THR 17 -23.516 27.958 8.261 144 HB THR 17 HB THR 17 -22.326 26.858 6.142 145 HG1 THR 17 HG1 THR 17 -23.471 27.848 4.543 146 1HG2 THR 17 1HG2 THR 17 -24.993 25.688 6.604 147 2HG2 THR 17 2HG2 THR 17 -23.946 25.870 8.011 148 3HG2 THR 17 3HG2 THR 17 -23.399 24.935 6.619 149 H THR 18 H THR 18 -21.164 28.049 8.185 150 HA THR 18 HA THR 18 -20.156 30.441 6.791 151 HB THR 18 HB THR 18 -18.694 30.849 8.759 152 HG1 THR 18 HG1 THR 18 -19.035 29.709 10.630 153 1HG2 THR 18 1HG2 THR 18 -20.363 31.711 10.282 154 2HG2 THR 18 2HG2 THR 18 -21.611 30.753 9.486 155 3HG2 THR 18 3HG2 THR 18 -20.811 32.059 8.613 156 H GLU 19 H GLU 19 -19.309 29.147 5.127 157 HA GLU 19 HA GLU 19 -17.499 26.993 5.682 158 1HB GLU 19 1HB GLU 19 -18.300 28.449 3.172 159 2HB GLU 19 2HB GLU 19 -17.035 27.228 3.167 160 1HG GLU 19 1HG GLU 19 -18.701 25.635 4.148 161 2HG GLU 19 2HG GLU 19 -19.935 26.863 3.868 162 H ALA 20 H ALA 20 -15.331 27.019 5.828 163 HA ALA 20 HA ALA 20 -13.915 29.509 5.174 164 1HB ALA 20 1HB ALA 20 -12.450 28.735 7.254 165 2HB ALA 20 2HB ALA 20 -14.001 28.064 7.758 166 3HB ALA 20 3HB ALA 20 -13.852 29.791 7.428 167 H VAL 21 H VAL 21 -13.190 26.232 6.341 168 HA VAL 21 HA VAL 21 -10.823 26.091 4.714 169 HB VAL 21 HB VAL 21 -10.816 25.046 6.912 170 1HG1 VAL 21 1HG1 VAL 21 -13.256 23.756 5.913 171 2HG1 VAL 21 2HG1 VAL 21 -12.775 24.167 7.557 172 3HG1 VAL 21 3HG1 VAL 21 -12.159 22.699 6.801 173 1HG2 VAL 21 1HG2 VAL 21 -9.301 24.119 5.312 174 2HG2 VAL 21 2HG2 VAL 21 -10.567 23.104 4.623 175 3HG2 VAL 21 3HG2 VAL 21 -9.981 22.796 6.258 176 H ASP 22 H ASP 22 -12.122 26.503 2.744 177 HA ASP 22 HA ASP 22 -13.421 24.097 1.671 178 1HB ASP 22 1HB ASP 22 -14.632 26.310 1.609 179 2HB ASP 22 2HB ASP 22 -13.409 26.869 0.471 180 H ALA 23 H ALA 23 -12.804 23.176 -0.221 181 HA ALA 23 HA ALA 23 -10.127 22.969 -0.817 182 1HB ALA 23 1HB ALA 23 -11.809 22.484 -3.130 183 2HB ALA 23 2HB ALA 23 -12.480 21.797 -1.649 184 3HB ALA 23 3HB ALA 23 -10.852 21.355 -2.170 185 H ALA 24 H ALA 24 -12.569 25.026 -2.361 186 HA ALA 24 HA ALA 24 -10.866 26.080 -4.366 187 1HB ALA 24 1HB ALA 24 -12.610 27.804 -4.635 188 2HB ALA 24 2HB ALA 24 -13.401 27.202 -3.178 189 3HB ALA 24 3HB ALA 24 -13.273 26.170 -4.602 190 H THR 25 H THR 25 -11.555 26.991 -1.055 191 HA THR 25 HA THR 25 -10.447 29.579 -1.083 192 HB THR 25 HB THR 25 -10.848 27.544 1.110 193 HG1 THR 25 HG1 THR 25 -12.618 28.705 1.542 194 1HG2 THR 25 1HG2 THR 25 -9.499 28.681 2.450 195 2HG2 THR 25 2HG2 THR 25 -10.679 29.991 2.361 196 3HG2 THR 25 3HG2 THR 25 -9.292 29.979 1.272 197 H PHE 26 H PHE 26 -9.049 26.399 -0.545 198 HA PHE 26 HA PHE 26 -6.470 27.270 0.229 199 1HB PHE 26 1HB PHE 26 -7.301 24.968 0.604 200 2HB PHE 26 2HB PHE 26 -7.239 24.679 -1.132 201 HD1 PHE 26 HD1 PHE 26 -5.147 25.507 1.810 202 HD2 PHE 26 HD2 PHE 26 -5.260 23.988 -2.163 203 HE1 PHE 26 HE1 PHE 26 -2.797 24.807 2.015 204 HE2 PHE 26 HE2 PHE 26 -2.910 23.284 -1.965 205 HZ PHE 26 HZ PHE 26 -1.676 23.694 0.126 206 H GLU 27 H GLU 27 -7.702 26.117 -2.905 207 HA GLU 27 HA GLU 27 -5.408 26.417 -4.412 208 1HB GLU 27 1HB GLU 27 -8.275 26.836 -5.268 209 2HB GLU 27 2HB GLU 27 -6.921 26.620 -6.367 210 1HG GLU 27 1HG GLU 27 -6.547 24.389 -5.539 211 2HG GLU 27 2HG GLU 27 -7.803 24.598 -4.320 212 H LYS 28 H LYS 28 -7.980 28.833 -3.902 213 HA LYS 28 HA LYS 28 -6.775 30.832 -5.479 214 1HB LYS 28 1HB LYS 28 -9.182 30.745 -4.798 215 2HB LYS 28 2HB LYS 28 -8.691 31.242 -3.184 216 1HG LYS 28 1HG LYS 28 -7.588 33.243 -4.405 217 2HG LYS 28 2HG LYS 28 -8.667 32.801 -5.730 218 1HD LYS 28 1HD LYS 28 -9.571 33.343 -2.904 219 2HD LYS 28 2HD LYS 28 -9.599 34.535 -4.204 220 1HE LYS 28 1HE LYS 28 -11.247 33.382 -5.387 221 2HE LYS 28 2HE LYS 28 -10.952 31.880 -4.514 222 1HZ LYS 28 1HZ LYS 28 -11.933 32.822 -2.554 223 2HZ LYS 28 2HZ LYS 28 -13.017 33.001 -3.840 224 3HZ LYS 28 3HZ LYS 28 -12.117 34.328 -3.304 225 H VAL 29 H VAL 29 -6.771 30.370 -1.927 226 HA VAL 29 HA VAL 29 -5.244 32.660 -1.346 227 HB VAL 29 HB VAL 29 -5.463 30.094 0.232 228 1HG1 VAL 29 1HG1 VAL 29 -3.535 31.448 0.912 229 2HG1 VAL 29 2HG1 VAL 29 -4.786 31.424 2.157 230 3HG1 VAL 29 3HG1 VAL 29 -4.596 32.843 1.128 231 1HG2 VAL 29 1HG2 VAL 29 -7.398 30.844 1.143 232 2HG2 VAL 29 2HG2 VAL 29 -7.523 31.669 -0.411 233 3HG2 VAL 29 3HG2 VAL 29 -6.936 32.541 1.005 234 H VAL 30 H VAL 30 -4.300 29.307 -1.954 235 HA VAL 30 HA VAL 30 -1.549 29.700 -1.362 236 HB VAL 30 HB VAL 30 -2.805 27.522 -3.036 237 1HG1 VAL 30 1HG1 VAL 30 -0.813 26.234 -2.530 238 2HG1 VAL 30 2HG1 VAL 30 -0.150 27.579 -1.602 239 3HG1 VAL 30 3HG1 VAL 30 -0.370 27.734 -3.345 240 1HG2 VAL 30 1HG2 VAL 30 -1.976 27.135 -0.207 241 2HG2 VAL 30 2HG2 VAL 30 -3.249 26.337 -1.131 242 3HG2 VAL 30 3HG2 VAL 30 -3.492 27.976 -0.526 243 H LYS 31 H LYS 31 -3.344 29.633 -4.451 244 HA LYS 31 HA LYS 31 -1.077 29.932 -6.093 245 1HB LYS 31 1HB LYS 31 -3.323 29.199 -6.871 246 2HB LYS 31 2HB LYS 31 -3.911 30.838 -6.633 247 1HG LYS 31 1HG LYS 31 -2.397 31.664 -8.328 248 2HG LYS 31 2HG LYS 31 -1.706 30.052 -8.525 249 1HD LYS 31 1HD LYS 31 -3.746 29.197 -9.406 250 2HD LYS 31 2HD LYS 31 -4.623 30.661 -8.961 251 1HE LYS 31 1HE LYS 31 -2.863 31.816 -10.523 252 2HE LYS 31 2HE LYS 31 -2.711 30.196 -11.202 253 1HZ LYS 31 1HZ LYS 31 -5.120 30.202 -11.579 254 2HZ LYS 31 2HZ LYS 31 -4.345 31.450 -12.417 255 3HZ LYS 31 3HZ LYS 31 -5.208 31.791 -11.003 256 H GLN 32 H GLN 32 -3.322 32.297 -4.704 257 HA GLN 32 HA GLN 32 -2.158 34.573 -5.905 258 1HB GLN 32 1HB GLN 32 -4.442 34.449 -4.861 259 2HB GLN 32 2HB GLN 32 -3.657 34.492 -3.288 260 1HG GLN 32 1HG GLN 32 -4.248 36.695 -3.636 261 2HG GLN 32 2HG GLN 32 -2.558 36.657 -4.136 262 1HE2 GLN 32 1HE2 GLN 32 -5.859 36.901 -5.189 263 2HE2 GLN 32 2HE2 GLN 32 -5.520 37.442 -6.796 264 H PHE 33 H PHE 33 -1.581 32.954 -2.790 265 HA PHE 33 HA PHE 33 0.211 34.889 -1.801 266 1HB PHE 33 1HB PHE 33 -0.772 33.673 -0.141 267 2HB PHE 33 2HB PHE 33 -0.701 32.169 -1.041 268 HD1 PHE 33 HD1 PHE 33 1.861 34.581 0.306 269 HD2 PHE 33 HD2 PHE 33 0.450 30.577 0.006 270 HE1 PHE 33 HE1 PHE 33 3.734 33.811 1.715 271 HE2 PHE 33 HE2 PHE 33 2.325 29.800 1.393 272 HZ PHE 33 HZ PHE 33 3.974 31.413 2.248 273 H PHE 34 H PHE 34 0.795 31.746 -3.379 274 HA PHE 34 HA PHE 34 3.630 32.153 -3.230 275 1HB PHE 34 1HB PHE 34 1.913 29.992 -4.382 276 2HB PHE 34 2HB PHE 34 3.642 30.051 -4.736 277 HD1 PHE 34 HD1 PHE 34 1.367 28.545 -2.660 278 HD2 PHE 34 HD2 PHE 34 5.035 30.698 -2.468 279 HE1 PHE 34 HE1 PHE 34 1.843 27.537 -0.463 280 HE2 PHE 34 HE2 PHE 34 5.520 29.688 -0.278 281 HZ PHE 34 HZ PHE 34 3.926 28.110 0.731 282 H ASN 35 H ASN 35 1.191 32.744 -5.692 283 HA ASN 35 HA ASN 35 2.831 32.934 -7.938 284 1HB ASN 35 1HB ASN 35 0.272 34.284 -7.165 285 2HB ASN 35 2HB ASN 35 1.118 34.818 -8.611 286 1HD2 ASN 35 1HD2 ASN 35 1.180 31.481 -7.547 287 2HD2 ASN 35 2HD2 ASN 35 0.200 30.864 -8.827 288 H ASP 36 H ASP 36 2.499 35.077 -5.242 289 HA ASP 36 HA ASP 36 3.612 37.420 -6.302 290 1HB ASP 36 1HB ASP 36 3.459 36.325 -3.502 291 2HB ASP 36 2HB ASP 36 4.217 37.876 -3.852 292 H ASN 37 H ASN 37 5.083 34.440 -5.625 293 HA ASN 37 HA ASN 37 7.750 35.683 -5.484 294 1HB ASN 37 1HB ASN 37 8.611 33.683 -4.527 295 2HB ASN 37 2HB ASN 37 7.110 34.049 -3.685 296 1HD2 ASN 37 1HD2 ASN 37 5.902 32.360 -3.313 297 2HD2 ASN 37 2HD2 ASN 37 5.802 30.935 -4.285 298 H GLY 38 H GLY 38 5.707 33.936 -7.625 299 1HA GLY 38 1HA GLY 38 6.607 34.166 -9.964 300 2HA GLY 38 2HA GLY 38 8.042 33.368 -9.346 301 H VAL 39 H VAL 39 5.074 32.188 -8.077 302 HA VAL 39 HA VAL 39 5.460 29.701 -9.542 303 HB VAL 39 HB VAL 39 3.403 30.280 -7.409 304 1HG1 VAL 39 1HG1 VAL 39 2.689 28.318 -8.344 305 2HG1 VAL 39 2HG1 VAL 39 3.838 27.689 -7.163 306 3HG1 VAL 39 3HG1 VAL 39 4.308 27.843 -8.856 307 1HG2 VAL 39 1HG2 VAL 39 6.269 29.435 -7.207 308 2HG2 VAL 39 2HG2 VAL 39 5.096 28.961 -5.979 309 3HG2 VAL 39 3HG2 VAL 39 5.405 30.669 -6.291 310 H ASP 40 H ASP 40 3.975 28.762 -10.919 311 HA ASP 40 HA ASP 40 1.430 30.045 -11.424 312 1HB ASP 40 1HB ASP 40 3.697 30.123 -13.401 313 2HB ASP 40 2HB ASP 40 2.020 30.162 -13.939 314 H GLY 41 H GLY 41 0.478 28.909 -13.548 315 1HA GLY 41 1HA GLY 41 0.560 26.755 -14.770 316 2HA GLY 41 2HA GLY 41 1.008 26.016 -13.239 317 H GLU 42 H GLU 42 -0.708 24.609 -13.102 318 HA GLU 42 HA GLU 42 -3.233 25.808 -12.308 319 1HB GLU 42 1HB GLU 42 -2.955 23.949 -14.661 320 2HB GLU 42 2HB GLU 42 -4.473 24.140 -13.796 321 1HG GLU 42 1HG GLU 42 -4.417 26.553 -14.300 322 2HG GLU 42 2HG GLU 42 -2.950 26.296 -15.241 323 H TRP 43 H TRP 43 -4.659 24.306 -11.220 324 HA TRP 43 HA TRP 43 -3.214 22.471 -9.575 325 1HB TRP 43 1HB TRP 43 -6.116 23.246 -9.779 326 2HB TRP 43 2HB TRP 43 -5.582 21.952 -8.710 327 HD1 TRP 43 HD1 TRP 43 -5.937 25.657 -8.875 328 HE1 TRP 43 HE1 TRP 43 -4.944 26.736 -6.760 329 HE3 TRP 43 HE3 TRP 43 -3.489 21.595 -6.964 330 HZ2 TRP 43 HZ2 TRP 43 -3.333 25.968 -4.572 331 HZ3 TRP 43 HZ3 TRP 43 -2.245 21.853 -4.856 332 HH2 TRP 43 HH2 TRP 43 -2.170 23.994 -3.686 333 H THR 44 H THR 44 -2.744 20.459 -10.002 334 HA THR 44 HA THR 44 -4.413 18.997 -11.934 335 HB THR 44 HB THR 44 -2.439 17.694 -12.513 336 HG1 THR 44 HG1 THR 44 -0.688 17.736 -11.354 337 1HG2 THR 44 1HG2 THR 44 -1.649 20.593 -12.527 338 2HG2 THR 44 2HG2 THR 44 -2.774 19.867 -13.673 339 3HG2 THR 44 3HG2 THR 44 -1.099 19.320 -13.617 340 H TYR 45 H TYR 45 -5.150 17.027 -11.428 341 HA TYR 45 HA TYR 45 -5.301 16.295 -8.672 342 1HB TYR 45 1HB TYR 45 -6.308 15.082 -11.225 343 2HB TYR 45 2HB TYR 45 -6.387 14.168 -9.723 344 HD1 TYR 45 HD1 TYR 45 -7.761 16.961 -11.617 345 HD2 TYR 45 HD2 TYR 45 -7.817 14.929 -7.880 346 HE1 TYR 45 HE1 TYR 45 -9.858 18.107 -11.031 347 HE2 TYR 45 HE2 TYR 45 -9.913 16.067 -7.284 348 HH TYR 45 HH TYR 45 -11.797 17.163 -8.407 349 H ASP 46 H ASP 46 -4.374 14.553 -7.608 350 HA ASP 46 HA ASP 46 -1.782 13.784 -8.509 351 1HB ASP 46 1HB ASP 46 -3.491 13.059 -6.147 352 2HB ASP 46 2HB ASP 46 -2.004 12.175 -6.471 353 H ASP 47 H ASP 47 -1.042 11.584 -8.843 354 HA ASP 47 HA ASP 47 -2.671 10.158 -10.664 355 1HB ASP 47 1HB ASP 47 -0.850 8.436 -10.559 356 2HB ASP 47 2HB ASP 47 -0.283 10.065 -10.916 357 H ALA 48 H ALA 48 -3.945 8.398 -10.427 358 HA ALA 48 HA ALA 48 -5.132 7.812 -7.988 359 1HB ALA 48 1HB ALA 48 -5.978 7.318 -10.338 360 2HB ALA 48 2HB ALA 48 -6.312 6.112 -9.094 361 3HB ALA 48 3HB ALA 48 -5.011 5.845 -10.254 362 H THR 49 H THR 49 -4.873 6.269 -6.445 363 HA THR 49 HA THR 49 -2.650 4.375 -6.717 364 HB THR 49 HB THR 49 -3.125 6.026 -4.231 365 HG1 THR 49 HG1 THR 49 -2.324 7.354 -5.865 366 1HG2 THR 49 1HG2 THR 49 -0.984 5.234 -3.494 367 2HG2 THR 49 2HG2 THR 49 -0.760 4.332 -4.993 368 3HG2 THR 49 3HG2 THR 49 -2.022 3.855 -3.856 369 H LYS 50 H LYS 50 -2.773 2.551 -5.257 370 HA LYS 50 HA LYS 50 -5.520 2.050 -4.312 371 1HB LYS 50 1HB LYS 50 -3.589 0.326 -5.800 372 2HB LYS 50 2HB LYS 50 -4.693 -0.440 -4.666 373 1HG LYS 50 1HG LYS 50 -6.581 0.641 -5.871 374 2HG LYS 50 2HG LYS 50 -5.421 1.223 -7.066 375 1HD LYS 50 1HD LYS 50 -5.402 -1.676 -6.423 376 2HD LYS 50 2HD LYS 50 -6.754 -1.058 -7.375 377 1HE LYS 50 1HE LYS 50 -4.915 0.070 -8.804 378 2HE LYS 50 2HE LYS 50 -3.832 -1.090 -8.035 379 1HZ LYS 50 1HZ LYS 50 -4.795 -2.838 -9.102 380 2HZ LYS 50 2HZ LYS 50 -5.056 -1.643 -10.271 381 3HZ LYS 50 3HZ LYS 50 -6.310 -2.095 -9.230 382 H THR 51 H THR 51 -5.800 0.915 -2.385 383 HA THR 51 HA THR 51 -3.428 0.312 -0.788 384 HB THR 51 HB THR 51 -5.572 2.307 -0.058 385 HG1 THR 51 HG1 THR 51 -3.390 2.779 -1.051 386 1HG2 THR 51 1HG2 THR 51 -4.761 2.408 2.193 387 2HG2 THR 51 2HG2 THR 51 -3.588 1.130 1.878 388 3HG2 THR 51 3HG2 THR 51 -5.315 0.768 1.861 389 H PHE 52 H PHE 52 -3.656 -1.514 0.372 390 HA PHE 52 HA PHE 52 -6.122 -2.994 0.139 391 1HB PHE 52 1HB PHE 52 -3.890 -4.068 -0.132 392 2HB PHE 52 2HB PHE 52 -3.570 -3.759 1.571 393 HD1 PHE 52 HD1 PHE 52 -5.609 -5.691 -0.799 394 HD2 PHE 52 HD2 PHE 52 -4.543 -5.105 3.278 395 HE1 PHE 52 HE1 PHE 52 -6.693 -7.821 -0.215 396 HE2 PHE 52 HE2 PHE 52 -5.625 -7.235 3.871 397 HZ PHE 52 HZ PHE 52 -6.700 -8.596 2.124 398 H THR 53 H THR 53 -7.736 -2.839 1.549 399 HA THR 53 HA THR 53 -7.212 -1.785 4.222 400 HB THR 53 HB THR 53 -9.823 -2.378 2.806 401 HG1 THR 53 HG1 THR 53 -8.483 -0.574 2.054 402 1HG2 THR 53 1HG2 THR 53 -10.712 -0.784 4.598 403 2HG2 THR 53 2HG2 THR 53 -9.259 -1.212 5.502 404 3HG2 THR 53 3HG2 THR 53 -10.417 -2.463 5.048 405 H VAL 54 H VAL 54 -7.032 -3.072 5.945 406 HA VAL 54 HA VAL 54 -7.264 -5.899 5.697 407 HB VAL 54 HB VAL 54 -7.113 -4.451 8.329 408 1HG1 VAL 54 1HG1 VAL 54 -7.219 -6.651 8.872 409 2HG1 VAL 54 2HG1 VAL 54 -5.484 -6.543 8.574 410 3HG1 VAL 54 3HG1 VAL 54 -6.555 -7.180 7.327 411 1HG2 VAL 54 1HG2 VAL 54 -5.350 -3.366 7.364 412 2HG2 VAL 54 2HG2 VAL 54 -5.054 -4.653 6.194 413 3HG2 VAL 54 3HG2 VAL 54 -4.538 -4.848 7.869 414 H THR 55 H THR 55 -8.631 -7.299 6.935 415 HA THR 55 HA THR 55 -11.058 -6.157 8.059 416 HB THR 55 HB THR 55 -11.145 -8.156 5.794 417 HG1 THR 55 HG1 THR 55 -11.872 -5.418 5.895 418 1HG2 THR 55 1HG2 THR 55 -13.369 -8.375 6.045 419 2HG2 THR 55 2HG2 THR 55 -13.572 -6.734 6.660 420 3HG2 THR 55 3HG2 THR 55 -12.984 -8.008 7.727 421 H GLU 56 H GLU 56 -10.020 -9.357 6.921 422 HA GLU 56 HA GLU 56 -9.814 -11.362 7.973 423 1HB GLU 56 1HB GLU 56 -9.388 -9.737 10.484 424 2HB GLU 56 2HB GLU 56 -8.876 -11.394 10.196 425 1HG GLU 56 1HG GLU 56 -7.201 -10.736 8.698 426 2HG GLU 56 2HG GLU 56 -7.883 -9.119 8.517 427 1H MET 1 1H MET 1 -10.198 16.351 2.309 428 2H MET 1 2H MET 1 -11.366 17.103 1.302 429 3H MET 1 3H MET 1 -10.180 18.052 2.101 430 HA MET 1 HA MET 1 -9.590 15.981 0.099 431 1HB MET 1 1HB MET 1 -10.271 18.879 -0.106 432 2HB MET 1 2HB MET 1 -9.028 18.247 -1.176 433 1HG MET 1 1HG MET 1 -11.529 16.694 -1.019 434 2HG MET 1 2HG MET 1 -11.634 18.279 -1.782 435 1HE MET 1 1HE MET 1 -9.509 14.990 -1.684 436 2HE MET 1 2HE MET 1 -8.279 16.235 -1.896 437 3HE MET 1 3HE MET 1 -8.613 15.095 -3.200 438 H GLN 2 H GLN 2 -7.473 15.607 -0.176 439 HA GLN 2 HA GLN 2 -5.622 16.890 1.673 440 1HB GLN 2 1HB GLN 2 -5.684 14.408 1.419 441 2HB GLN 2 2HB GLN 2 -5.125 14.599 -0.236 442 1HG GLN 2 1HG GLN 2 -3.079 15.676 0.609 443 2HG GLN 2 2HG GLN 2 -3.636 15.388 2.256 444 1HE2 GLN 2 1HE2 GLN 2 -3.733 13.257 3.032 445 2HE2 GLN 2 2HE2 GLN 2 -2.828 11.986 2.292 446 H TYR 3 H TYR 3 -4.276 18.466 1.100 447 HA TYR 3 HA TYR 3 -3.896 18.979 -1.767 448 1HB TYR 3 1HB TYR 3 -4.018 20.788 0.615 449 2HB TYR 3 2HB TYR 3 -3.161 21.304 -0.835 450 HD1 TYR 3 HD1 TYR 3 -6.378 20.882 0.728 451 HD2 TYR 3 HD2 TYR 3 -4.421 21.407 -3.013 452 HE1 TYR 3 HE1 TYR 3 -8.507 21.586 -0.282 453 HE2 TYR 3 HE2 TYR 3 -6.542 22.113 -4.032 454 HH TYR 3 HH TYR 3 -8.710 23.101 -3.275 455 H LYS 4 H LYS 4 -2.012 18.781 -2.646 456 HA LYS 4 HA LYS 4 0.358 18.435 -0.932 457 1HB LYS 4 1HB LYS 4 -0.421 17.322 -3.598 458 2HB LYS 4 2HB LYS 4 1.283 17.471 -3.197 459 1HG LYS 4 1HG LYS 4 1.031 16.032 -1.302 460 2HG LYS 4 2HG LYS 4 -0.723 16.001 -1.503 461 1HD LYS 4 1HD LYS 4 0.177 13.959 -2.385 462 2HD LYS 4 2HD LYS 4 -0.383 14.948 -3.735 463 1HE LYS 4 1HE LYS 4 1.830 15.577 -4.305 464 2HE LYS 4 2HE LYS 4 2.476 14.926 -2.799 465 1HZ LYS 4 1HZ LYS 4 2.183 12.747 -3.534 466 2HZ LYS 4 2HZ LYS 4 2.781 13.551 -4.896 467 3HZ LYS 4 3HZ LYS 4 1.133 13.195 -4.783 468 H VAL 5 H VAL 5 1.869 19.953 -0.935 469 HA VAL 5 HA VAL 5 2.284 21.593 -3.328 470 HB VAL 5 HB VAL 5 2.032 22.856 -0.599 471 1HG1 VAL 5 1HG1 VAL 5 3.382 24.262 -1.833 472 2HG1 VAL 5 2HG1 VAL 5 1.779 24.906 -2.186 473 3HG1 VAL 5 3HG1 VAL 5 2.585 23.862 -3.356 474 1HG2 VAL 5 1HG2 VAL 5 -0.085 23.841 -1.526 475 2HG2 VAL 5 2HG2 VAL 5 -0.157 22.116 -1.168 476 3HG2 VAL 5 3HG2 VAL 5 0.023 22.664 -2.834 477 H ILE 6 H ILE 6 4.379 21.711 -3.804 478 HA ILE 6 HA ILE 6 6.327 20.909 -1.784 479 HB ILE 6 HB ILE 6 6.818 21.430 -4.714 480 1HG1 ILE 6 1HG1 ILE 6 6.305 18.768 -3.375 481 2HG1 ILE 6 2HG1 ILE 6 5.095 19.652 -4.301 482 1HG2 ILE 6 1HG2 ILE 6 8.764 21.436 -3.130 483 2HG2 ILE 6 2HG2 ILE 6 8.850 20.235 -4.420 484 3HG2 ILE 6 3HG2 ILE 6 8.398 19.745 -2.787 485 1HD1 ILE 6 1HD1 ILE 6 6.759 19.562 -6.228 486 2HD1 ILE 6 2HD1 ILE 6 5.947 18.062 -5.778 487 3HD1 ILE 6 3HD1 ILE 6 7.612 18.351 -5.271 488 H LEU 7 H LEU 7 7.339 22.408 -0.636 489 HA LEU 7 HA LEU 7 7.696 25.091 -1.789 490 1HB LEU 7 1HB LEU 7 7.182 24.084 0.940 491 2HB LEU 7 2HB LEU 7 8.355 25.383 0.833 492 HG LEU 7 HG LEU 7 6.240 26.265 -0.741 493 1HD1 LEU 7 1HD1 LEU 7 4.831 24.473 0.138 494 2HD1 LEU 7 2HD1 LEU 7 4.273 26.057 0.675 495 3HD1 LEU 7 3HD1 LEU 7 5.167 25.015 1.783 496 1HD2 LEU 7 1HD2 LEU 7 6.893 26.882 2.139 497 2HD2 LEU 7 2HD2 LEU 7 5.879 27.871 1.087 498 3HD2 LEU 7 3HD2 LEU 7 7.590 27.657 0.715 499 H ASN 8 H ASN 8 9.689 25.693 -2.382 500 HA ASN 8 HA ASN 8 12.013 24.698 -0.967 501 1HB ASN 8 1HB ASN 8 11.464 22.989 -2.757 502 2HB ASN 8 2HB ASN 8 11.823 24.237 -3.947 503 1HD2 ASN 8 1HD2 ASN 8 13.129 21.668 -3.406 504 2HD2 ASN 8 2HD2 ASN 8 14.789 22.039 -3.108 505 H GLY 9 H GLY 9 12.973 26.574 -0.516 506 1HA GLY 9 1HA GLY 9 13.616 28.356 -2.760 507 2HA GLY 9 2HA GLY 9 12.821 29.036 -1.348 508 H LYS 10 H LYS 10 14.021 28.075 0.776 509 HA LYS 10 HA LYS 10 16.901 28.535 0.370 510 1HB LYS 10 1HB LYS 10 15.682 30.510 1.349 511 2HB LYS 10 2HB LYS 10 15.316 29.510 2.748 512 1HG LYS 10 1HG LYS 10 18.149 29.554 2.035 513 2HG LYS 10 2HG LYS 10 17.492 31.129 2.484 514 1HD LYS 10 1HD LYS 10 16.437 29.723 4.461 515 2HD LYS 10 2HD LYS 10 17.799 28.656 4.112 516 1HE LYS 10 1HE LYS 10 18.264 31.591 4.414 517 2HE LYS 10 2HE LYS 10 18.045 30.596 5.852 518 1HZ LYS 10 1HZ LYS 10 20.251 30.651 3.950 519 2HZ LYS 10 2HZ LYS 10 19.826 29.135 4.565 520 3HZ LYS 10 3HZ LYS 10 20.268 30.381 5.620 521 H THR 11 H THR 11 17.881 26.667 0.781 522 HA THR 11 HA THR 11 17.391 25.359 3.337 523 HB THR 11 HB THR 11 15.920 24.086 1.974 524 HG1 THR 11 HG1 THR 11 16.759 22.150 2.321 525 1HG2 THR 11 1HG2 THR 11 17.287 22.867 -0.042 526 2HG2 THR 11 2HG2 THR 11 17.901 24.520 -0.115 527 3HG2 THR 11 3HG2 THR 11 16.167 24.217 -0.231 528 H LEU 12 H LEU 12 19.513 26.632 3.378 529 HA LEU 12 HA LEU 12 21.780 26.626 3.532 530 1HB LEU 12 1HB LEU 12 21.355 23.658 3.194 531 2HB LEU 12 2HB LEU 12 22.898 24.387 3.597 532 HG LEU 12 HG LEU 12 21.698 25.384 5.635 533 1HD1 LEU 12 1HD1 LEU 12 19.446 25.101 5.332 534 2HD1 LEU 12 2HD1 LEU 12 19.819 23.681 6.309 535 3HD1 LEU 12 3HD1 LEU 12 19.635 23.525 4.563 536 1HD2 LEU 12 1HD2 LEU 12 21.932 23.231 6.888 537 2HD2 LEU 12 2HD2 LEU 12 23.332 23.667 5.909 538 3HD2 LEU 12 3HD2 LEU 12 22.211 22.430 5.340 539 H LYS 13 H LYS 13 20.575 27.079 0.972 540 HA LYS 13 HA LYS 13 22.885 26.940 -0.666 541 1HB LYS 13 1HB LYS 13 21.795 24.562 -0.726 542 2HB LYS 13 2HB LYS 13 20.631 25.325 -1.800 543 1HG LYS 13 1HG LYS 13 22.285 25.818 -3.405 544 2HG LYS 13 2HG LYS 13 23.593 25.451 -2.278 545 1HD LYS 13 1HD LYS 13 22.861 23.094 -2.243 546 2HD LYS 13 2HD LYS 13 21.616 23.485 -3.432 547 1HE LYS 13 1HE LYS 13 24.601 23.674 -3.797 548 2HE LYS 13 2HE LYS 13 23.510 22.517 -4.560 549 1HZ LYS 13 1HZ LYS 13 24.022 24.244 -6.109 550 2HZ LYS 13 2HZ LYS 13 23.584 25.450 -5.008 551 3HZ LYS 13 3HZ LYS 13 22.404 24.421 -5.647 552 H GLY 14 H GLY 14 22.815 28.673 -1.944 553 1HA GLY 14 1HA GLY 14 21.937 30.209 -3.455 554 2HA GLY 14 2HA GLY 14 20.354 29.476 -3.243 555 H GLU 15 H GLU 15 22.741 31.390 -1.416 556 HA GLU 15 HA GLU 15 20.509 32.744 -0.070 557 1HB GLU 15 1HB GLU 15 23.436 32.540 0.654 558 2HB GLU 15 2HB GLU 15 22.276 33.535 1.526 559 1HG GLU 15 1HG GLU 15 22.170 31.700 2.830 560 2HG GLU 15 2HG GLU 15 20.974 31.217 1.629 561 H THR 16 H THR 16 21.290 33.345 -2.788 562 HA THR 16 HA THR 16 22.351 36.073 -2.467 563 HB THR 16 HB THR 16 22.237 34.456 -5.017 564 HG1 THR 16 HG1 THR 16 24.373 34.798 -3.187 565 1HG2 THR 16 1HG2 THR 16 22.664 37.139 -4.723 566 2HG2 THR 16 2HG2 THR 16 23.213 36.148 -6.076 567 3HG2 THR 16 3HG2 THR 16 24.301 36.483 -4.730 568 H THR 17 H THR 17 19.935 34.146 -4.215 569 HA THR 17 HA THR 17 18.549 36.443 -5.219 570 HB THR 17 HB THR 17 16.744 34.643 -5.688 571 HG1 THR 17 HG1 THR 17 17.619 33.127 -4.180 572 1HG2 THR 17 1HG2 THR 17 18.290 35.476 -7.409 573 2HG2 THR 17 2HG2 THR 17 17.897 33.768 -7.603 574 3HG2 THR 17 3HG2 THR 17 19.455 34.243 -6.925 575 H THR 18 H THR 18 16.151 36.703 -4.757 576 HA THR 18 HA THR 18 15.833 37.084 -1.923 577 HB THR 18 HB THR 18 13.578 38.008 -2.623 578 HG1 THR 18 HG1 THR 18 12.959 37.659 -4.579 579 1HG2 THR 18 1HG2 THR 18 15.112 39.699 -2.362 580 2HG2 THR 18 2HG2 THR 18 14.632 39.896 -4.048 581 3HG2 THR 18 3HG2 THR 18 16.153 39.098 -3.651 582 H GLU 19 H GLU 19 14.950 35.705 -0.546 583 HA GLU 19 HA GLU 19 13.854 33.218 -1.429 584 1HB GLU 19 1HB GLU 19 13.484 32.826 1.014 585 2HB GLU 19 2HB GLU 19 15.140 33.240 0.594 586 1HG GLU 19 1HG GLU 19 14.911 35.428 1.449 587 2HG GLU 19 2HG GLU 19 13.159 35.271 1.576 588 H ALA 20 H ALA 20 11.752 32.381 -0.631 589 HA ALA 20 HA ALA 20 9.669 34.163 0.111 590 1HB ALA 20 1HB ALA 20 9.427 33.139 -2.703 591 2HB ALA 20 2HB ALA 20 10.057 34.743 -2.325 592 3HB ALA 20 3HB ALA 20 8.406 34.315 -1.873 593 H VAL 21 H VAL 21 10.066 31.236 -1.871 594 HA VAL 21 HA VAL 21 7.896 29.935 -0.476 595 HB VAL 21 HB VAL 21 8.103 29.603 -2.875 596 1HG1 VAL 21 1HG1 VAL 21 10.871 28.911 -2.184 597 2HG1 VAL 21 2HG1 VAL 21 10.204 29.606 -3.659 598 3HG1 VAL 21 3HG1 VAL 21 10.113 27.867 -3.385 599 1HG2 VAL 21 1HG2 VAL 21 7.034 27.833 -1.680 600 2HG2 VAL 21 2HG2 VAL 21 8.585 27.119 -1.241 601 3HG2 VAL 21 3HG2 VAL 21 8.056 27.112 -2.922 602 H ASP 22 H ASP 22 9.075 30.133 1.591 603 HA ASP 22 HA ASP 22 11.112 28.053 1.991 604 1HB ASP 22 1HB ASP 22 11.571 30.417 2.748 605 2HB ASP 22 2HB ASP 22 10.288 30.213 3.935 606 H ALA 23 H ALA 23 10.898 26.480 3.505 607 HA ALA 23 HA ALA 23 8.450 25.286 3.888 608 1HB ALA 23 1HB ALA 23 10.309 24.717 6.043 609 2HB ALA 23 2HB ALA 23 11.084 24.717 4.458 610 3HB ALA 23 3HB ALA 23 9.700 23.664 4.766 611 H ALA 24 H ALA 24 10.196 27.466 6.076 612 HA ALA 24 HA ALA 24 8.341 27.316 8.213 613 1HB ALA 24 1HB ALA 24 9.471 29.343 9.051 614 2HB ALA 24 2HB ALA 24 10.343 29.466 7.522 615 3HB ALA 24 3HB ALA 24 10.609 28.080 8.580 616 H THR 25 H THR 25 8.559 29.305 5.338 617 HA THR 25 HA THR 25 6.701 31.298 6.052 618 HB THR 25 HB THR 25 7.615 30.208 3.389 619 HG1 THR 25 HG1 THR 25 8.918 31.931 3.395 620 1HG2 THR 25 1HG2 THR 25 5.922 31.207 2.369 621 2HG2 THR 25 2HG2 THR 25 6.639 32.735 2.889 622 3HG2 THR 25 3HG2 THR 25 5.375 31.979 3.860 623 H PHE 26 H PHE 26 6.343 28.136 4.561 624 HA PHE 26 HA PHE 26 3.589 28.345 3.945 625 1HB PHE 26 1HB PHE 26 5.078 26.625 2.967 626 2HB PHE 26 2HB PHE 26 5.187 25.845 4.542 627 HD1 PHE 26 HD1 PHE 26 2.816 26.789 1.857 628 HD2 PHE 26 HD2 PHE 26 3.564 24.314 5.237 629 HE1 PHE 26 HE1 PHE 26 0.793 25.487 1.346 630 HE2 PHE 26 HE2 PHE 26 1.542 23.006 4.732 631 HZ PHE 26 HZ PHE 26 0.153 23.592 2.784 632 H GLU 27 H GLU 27 5.261 26.783 6.672 633 HA GLU 27 HA GLU 27 3.058 25.908 8.089 634 1HB GLU 27 1HB GLU 27 5.694 26.929 9.159 635 2HB GLU 27 2HB GLU 27 4.521 26.011 10.094 636 1HG GLU 27 1HG GLU 27 4.810 24.095 8.671 637 2HG GLU 27 2HG GLU 27 5.868 25.010 7.596 638 H LYS 28 H LYS 28 4.722 29.044 8.414 639 HA LYS 28 HA LYS 28 3.027 30.028 10.439 640 1HB LYS 28 1HB LYS 28 5.309 30.890 9.875 641 2HB LYS 28 2HB LYS 28 4.612 31.658 8.454 642 1HG LYS 28 1HG LYS 28 3.003 32.768 10.158 643 2HG LYS 28 2HG LYS 28 4.235 32.321 11.340 644 1HD LYS 28 1HD LYS 28 4.781 33.907 8.834 645 2HD LYS 28 2HD LYS 28 4.489 34.627 10.419 646 1HE LYS 28 1HE LYS 28 6.470 33.777 11.304 647 2HE LYS 28 2HE LYS 28 6.624 32.560 10.037 648 1HZ LYS 28 1HZ LYS 28 7.167 34.268 8.460 649 2HZ LYS 28 2HZ LYS 28 8.198 34.416 9.794 650 3HZ LYS 28 3HZ LYS 28 6.901 35.486 9.605 651 H VAL 29 H VAL 29 3.010 30.627 6.907 652 HA VAL 29 HA VAL 29 0.821 32.395 6.931 653 HB VAL 29 HB VAL 29 1.759 30.589 4.699 654 1HG1 VAL 29 1HG1 VAL 29 -0.525 31.413 4.344 655 2HG1 VAL 29 2HG1 VAL 29 0.615 32.129 3.202 656 3HG1 VAL 29 3HG1 VAL 29 0.042 33.068 4.580 657 1HG2 VAL 29 1HG2 VAL 29 3.322 32.132 4.137 658 2HG2 VAL 29 2HG2 VAL 29 3.251 32.474 5.865 659 3HG2 VAL 29 3HG2 VAL 29 2.359 33.486 4.729 660 H VAL 30 H VAL 30 0.996 28.889 6.510 661 HA VAL 30 HA VAL 30 -1.765 28.560 5.925 662 HB VAL 30 HB VAL 30 0.185 26.498 6.960 663 1HG1 VAL 30 1HG1 VAL 30 -1.327 24.853 6.027 664 2HG1 VAL 30 2HG1 VAL 30 -2.414 26.125 5.472 665 3HG1 VAL 30 3HG1 VAL 30 -2.187 25.852 7.199 666 1HG2 VAL 30 1HG2 VAL 30 -0.615 26.702 4.103 667 2HG2 VAL 30 2HG2 VAL 30 0.883 26.106 4.818 668 3HG2 VAL 30 3HG2 VAL 30 0.581 27.841 4.723 669 H LYS 31 H LYS 31 0.103 28.176 8.946 670 HA LYS 31 HA LYS 31 -2.066 27.269 10.492 671 1HB LYS 31 1HB LYS 31 0.328 27.081 11.138 672 2HB LYS 31 2HB LYS 31 0.363 28.818 11.411 673 1HG LYS 31 1HG LYS 31 -1.256 28.605 13.193 674 2HG LYS 31 2HG LYS 31 -1.403 26.873 12.883 675 1HD LYS 31 1HD LYS 31 0.834 26.473 13.585 676 2HD LYS 31 2HD LYS 31 1.198 28.200 13.623 677 1HE LYS 31 1HE LYS 31 -0.777 28.246 15.356 678 2HE LYS 31 2HE LYS 31 -0.368 26.541 15.542 679 1HZ LYS 31 1HZ LYS 31 1.930 27.219 16.015 680 2HZ LYS 31 2HZ LYS 31 0.834 27.845 17.142 681 3HZ LYS 31 3HZ LYS 31 1.465 28.844 15.932 682 H GLN 32 H GLN 32 -0.740 30.509 9.948 683 HA GLN 32 HA GLN 32 -2.500 31.861 11.695 684 1HB GLN 32 1HB GLN 32 -0.341 32.762 10.772 685 2HB GLN 32 2HB GLN 32 -1.170 33.008 9.240 686 1HG GLN 32 1HG GLN 32 -1.281 35.087 10.234 687 2HG GLN 32 2HG GLN 32 -2.851 34.382 10.618 688 1HE2 GLN 32 1HE2 GLN 32 0.246 35.341 11.860 689 2HE2 GLN 32 2HE2 GLN 32 -0.171 35.260 13.534 690 H PHE 33 H PHE 33 -2.684 31.109 8.224 691 HA PHE 33 HA PHE 33 -5.033 32.588 7.744 692 1HB PHE 33 1HB PHE 33 -3.796 32.269 5.857 693 2HB PHE 33 2HB PHE 33 -3.354 30.626 6.281 694 HD1 PHE 33 HD1 PHE 33 -6.596 32.404 5.561 695 HD2 PHE 33 HD2 PHE 33 -3.998 29.127 4.768 696 HE1 PHE 33 HE1 PHE 33 -8.198 31.530 3.901 697 HE2 PHE 33 HE2 PHE 33 -5.598 28.241 3.126 698 HZ PHE 33 HZ PHE 33 -7.704 29.437 2.691 699 H PHE 34 H PHE 34 -4.536 29.106 8.325 700 HA PHE 34 HA PHE 34 -7.362 28.634 8.163 701 1HB PHE 34 1HB PHE 34 -5.004 26.881 8.728 702 2HB PHE 34 2HB PHE 34 -6.648 26.294 9.000 703 HD1 PHE 34 HD1 PHE 34 -4.112 26.240 6.691 704 HD2 PHE 34 HD2 PHE 34 -8.275 27.096 6.947 705 HE1 PHE 34 HE1 PHE 34 -4.349 25.811 4.276 706 HE2 PHE 34 HE2 PHE 34 -8.519 26.662 4.539 707 HZ PHE 34 HZ PHE 34 -6.559 26.023 3.198 708 H ASN 35 H ASN 35 -5.121 29.227 10.803 709 HA ASN 35 HA ASN 35 -6.635 28.242 12.928 710 1HB ASN 35 1HB ASN 35 -4.660 30.481 12.700 711 2HB ASN 35 2HB ASN 35 -5.564 30.286 14.197 712 1HD2 ASN 35 1HD2 ASN 35 -4.632 27.550 12.216 713 2HD2 ASN 35 2HD2 ASN 35 -3.454 26.927 13.312 714 H ASP 36 H ASP 36 -7.108 31.057 10.977 715 HA ASP 36 HA ASP 36 -8.846 32.534 12.605 716 1HB ASP 36 1HB ASP 36 -8.486 32.386 9.619 717 2HB ASP 36 2HB ASP 36 -9.672 33.457 10.360 718 H ASN 37 H ASN 37 -9.347 29.566 11.041 719 HA ASN 37 HA ASN 37 -12.271 29.905 11.134 720 1HB ASN 37 1HB ASN 37 -12.510 28.097 9.606 721 2HB ASN 37 2HB ASN 37 -11.242 29.141 8.975 722 1HD2 ASN 37 1HD2 ASN 37 -9.586 28.098 8.188 723 2HD2 ASN 37 2HD2 ASN 37 -8.996 26.561 8.715 724 H GLY 38 H GLY 38 -9.694 28.343 12.780 725 1HA GLY 38 1HA GLY 38 -10.511 27.598 15.042 726 2HA GLY 38 2HA GLY 38 -11.655 26.609 14.154 727 H VAL 39 H VAL 39 -8.527 26.825 12.745 728 HA VAL 39 HA VAL 39 -8.054 24.029 13.412 729 HB VAL 39 HB VAL 39 -6.378 25.807 11.638 730 1HG1 VAL 39 1HG1 VAL 39 -5.052 23.978 12.009 731 2HG1 VAL 39 2HG1 VAL 39 -5.993 23.399 10.635 732 3HG1 VAL 39 3HG1 VAL 39 -6.421 22.898 12.271 733 1HG2 VAL 39 1HG2 VAL 39 -8.842 24.201 11.056 734 2HG2 VAL 39 2HG2 VAL 39 -7.639 24.512 9.804 735 3HG2 VAL 39 3HG2 VAL 39 -8.460 25.859 10.592 736 H ASP 40 H ASP 40 -6.285 23.242 14.532 737 HA ASP 40 HA ASP 40 -4.249 25.053 15.505 738 1HB ASP 40 1HB ASP 40 -6.336 23.853 17.311 739 2HB ASP 40 2HB ASP 40 -4.733 24.257 17.917 740 H GLY 41 H GLY 41 -2.897 23.713 17.259 741 1HA GLY 41 1HA GLY 41 -2.246 21.384 17.810 742 2HA GLY 41 2HA GLY 41 -2.510 21.014 16.113 743 H GLU 42 H GLU 42 -0.446 20.307 15.669 744 HA GLU 42 HA GLU 42 1.539 22.410 15.369 745 1HB GLU 42 1HB GLU 42 1.961 19.961 17.074 746 2HB GLU 42 2HB GLU 42 3.302 20.857 16.375 747 1HG GLU 42 1HG GLU 42 2.512 22.881 17.547 748 2HG GLU 42 2HG GLU 42 1.250 21.912 18.307 749 H TRP 43 H TRP 43 3.305 21.810 13.962 750 HA TRP 43 HA TRP 43 2.436 20.168 11.796 751 1HB TRP 43 1HB TRP 43 4.956 21.714 12.355 752 2HB TRP 43 2HB TRP 43 4.806 20.683 10.934 753 HD1 TRP 43 HD1 TRP 43 3.995 24.103 12.169 754 HE1 TRP 43 HE1 TRP 43 2.619 25.376 10.406 755 HE3 TRP 43 HE3 TRP 43 2.850 20.207 9.061 756 HZ2 TRP 43 HZ2 TRP 43 1.231 24.806 8.014 757 HZ3 TRP 43 HZ3 TRP 43 1.493 20.656 7.057 758 HH2 TRP 43 HH2 TRP 43 0.702 22.908 6.547 759 H THR 44 H THR 44 2.638 18.077 11.602 760 HA THR 44 HA THR 44 4.761 16.716 13.116 761 HB THR 44 HB THR 44 3.318 14.754 13.193 762 HG1 THR 44 HG1 THR 44 1.586 14.590 12.014 763 1HG2 THR 44 1HG2 THR 44 1.671 17.130 14.010 764 2HG2 THR 44 2HG2 THR 44 3.019 16.489 14.949 765 3HG2 THR 44 3HG2 THR 44 1.595 15.491 14.656 766 H TYR 45 H TYR 45 6.058 15.313 12.102 767 HA TYR 45 HA TYR 45 6.304 15.487 9.264 768 1HB TYR 45 1HB TYR 45 7.755 13.971 11.408 769 2HB TYR 45 2HB TYR 45 8.046 13.597 9.713 770 HD1 TYR 45 HD1 TYR 45 8.572 16.009 12.392 771 HD2 TYR 45 HD2 TYR 45 9.072 15.268 8.233 772 HE1 TYR 45 HE1 TYR 45 10.174 17.870 12.258 773 HE2 TYR 45 HE2 TYR 45 10.674 17.125 8.087 774 HH TYR 45 HH TYR 45 12.196 18.368 9.599 775 H ASP 46 H ASP 46 5.918 13.928 7.700 776 HA ASP 46 HA ASP 46 3.740 12.165 8.218 777 1HB ASP 46 1HB ASP 46 5.479 12.721 5.831 778 2HB ASP 46 2HB ASP 46 4.359 11.363 5.815 779 H ASP 47 H ASP 47 3.741 9.845 7.871 780 HA ASP 47 HA ASP 47 5.818 8.537 9.281 781 1HB ASP 47 1HB ASP 47 4.617 6.441 8.606 782 2HB ASP 47 2HB ASP 47 3.587 7.641 9.380 783 H ALA 48 H ALA 48 7.562 7.400 8.610 784 HA ALA 48 HA ALA 48 8.761 7.936 6.165 785 1HB ALA 48 1HB ALA 48 9.823 7.076 8.312 786 2HB ALA 48 2HB ALA 48 10.457 6.443 6.793 787 3HB ALA 48 3HB ALA 48 9.356 5.465 7.764 788 H THR 49 H THR 49 8.913 6.915 4.234 789 HA THR 49 HA THR 49 7.407 4.428 3.842 790 HB THR 49 HB THR 49 7.239 6.783 1.958 791 HG1 THR 49 HG1 THR 49 6.150 7.249 3.893 792 1HG2 THR 49 1HG2 THR 49 5.418 5.615 0.923 793 2HG2 THR 49 2HG2 THR 49 5.545 4.302 2.094 794 3HG2 THR 49 3HG2 THR 49 6.844 4.577 0.933 795 H LYS 50 H LYS 50 8.029 3.232 1.931 796 HA LYS 50 HA LYS 50 10.752 3.903 1.022 797 1HB LYS 50 1HB LYS 50 9.522 1.317 1.862 798 2HB LYS 50 2HB LYS 50 10.752 1.285 0.606 799 1HG LYS 50 1HG LYS 50 12.273 2.503 2.150 800 2HG LYS 50 2HG LYS 50 11.050 2.335 3.410 801 1HD LYS 50 1HD LYS 50 11.893 -0.120 1.967 802 2HD LYS 50 2HD LYS 50 13.030 0.587 3.117 803 1HE LYS 50 1HE LYS 50 10.999 0.635 4.721 804 2HE LYS 50 2HE LYS 50 10.295 -0.532 3.603 805 1HZ LYS 50 1HZ LYS 50 11.796 -2.126 4.172 806 2HZ LYS 50 2HZ LYS 50 11.728 -1.294 5.644 807 3HZ LYS 50 3HZ LYS 50 13.012 -1.020 4.578 808 H THR 51 H THR 51 11.286 3.515 -1.136 809 HA THR 51 HA THR 51 9.148 2.690 -2.950 810 HB THR 51 HB THR 51 10.533 5.371 -2.975 811 HG1 THR 51 HG1 THR 51 8.355 4.834 -2.001 812 1HG2 THR 51 1HG2 THR 51 9.628 5.857 -5.141 813 2HG2 THR 51 2HG2 THR 51 8.937 4.238 -5.262 814 3HG2 THR 51 3HG2 THR 51 10.688 4.454 -5.262 815 H PHE 52 H PHE 52 9.880 1.434 -4.571 816 HA PHE 52 HA PHE 52 12.693 0.792 -4.652 817 1HB PHE 52 1HB PHE 52 10.921 -0.953 -4.810 818 2HB PHE 52 2HB PHE 52 10.446 -0.283 -6.367 819 HD1 PHE 52 HD1 PHE 52 13.080 -2.091 -4.552 820 HD2 PHE 52 HD2 PHE 52 11.724 -0.697 -8.338 821 HE1 PHE 52 HE1 PHE 52 14.747 -3.513 -5.669 822 HE2 PHE 52 HE2 PHE 52 13.389 -2.118 -9.462 823 HZ PHE 52 HZ PHE 52 14.903 -3.530 -8.127 824 H THR 53 H THR 53 14.112 1.844 -5.876 825 HA THR 53 HA THR 53 13.165 3.399 -8.158 826 HB THR 53 HB THR 53 15.888 3.273 -6.842 827 HG1 THR 53 HG1 THR 53 14.093 4.282 -5.677 828 1HG2 THR 53 1HG2 THR 53 16.167 5.499 -8.067 829 2HG2 THR 53 2HG2 THR 53 14.877 4.923 -9.123 830 3HG2 THR 53 3HG2 THR 53 16.382 4.011 -8.988 831 H VAL 54 H VAL 54 13.321 2.674 -10.185 832 HA VAL 54 HA VAL 54 14.431 0.113 -10.745 833 HB VAL 54 HB VAL 54 13.717 2.142 -12.849 834 1HG1 VAL 54 1HG1 VAL 54 14.490 0.349 -14.005 835 2HG1 VAL 54 2HG1 VAL 54 12.828 -0.192 -13.777 836 3HG1 VAL 54 3HG1 VAL 54 14.102 -0.790 -12.715 837 1HG2 VAL 54 1HG2 VAL 54 11.754 2.277 -11.675 838 2HG2 VAL 54 2HG2 VAL 54 11.923 0.660 -10.991 839 3HG2 VAL 54 3HG2 VAL 54 11.423 0.859 -12.670 840 H THR 55 H THR 55 16.107 -0.367 -12.280 841 HA THR 55 HA THR 55 18.008 1.743 -12.894 842 HB THR 55 HB THR 55 18.813 -0.699 -11.307 843 HG1 THR 55 HG1 THR 55 18.661 2.032 -10.564 844 1HG2 THR 55 1HG2 THR 55 20.982 -0.124 -11.484 845 2HG2 THR 55 2HG2 THR 55 20.631 1.600 -11.608 846 3HG2 THR 55 3HG2 THR 55 20.430 0.556 -13.015 847 H GLU 56 H GLU 56 18.066 -1.805 -12.782 848 HA GLU 56 HA GLU 56 18.450 -3.381 -14.376 849 1HB GLU 56 1HB GLU 56 17.428 -1.315 -16.328 850 2HB GLU 56 2HB GLU 56 17.476 -3.058 -16.560 851 1HG GLU 56 1HG GLU 56 15.748 -3.422 -15.021 852 2HG GLU 56 2HG GLU 56 15.894 -1.801 -14.346 853 1H MET 1 1H MET 1 4.630 0.159 8.536 854 2H MET 1 2H MET 1 6.131 -0.499 9.045 855 3H MET 1 3H MET 1 5.183 -1.322 7.875 856 HA MET 1 HA MET 1 6.310 1.364 7.496 857 1HB MET 1 1HB MET 1 7.425 -1.373 7.098 858 2HB MET 1 2HB MET 1 7.793 -0.153 5.887 859 1HG MET 1 1HG MET 1 8.186 0.634 8.703 860 2HG MET 1 2HG MET 1 9.288 -0.583 8.063 861 1HE MET 1 1HE MET 1 7.646 2.876 7.276 862 2HE MET 1 2HE MET 1 7.692 2.120 5.684 863 3HE MET 1 3HE MET 1 8.715 3.515 6.025 864 H GLN 2 H GLN 2 5.703 2.300 5.640 865 HA GLN 2 HA GLN 2 3.679 0.948 4.038 866 1HB GLN 2 1HB GLN 2 3.319 3.271 4.861 867 2HB GLN 2 2HB GLN 2 4.665 3.800 3.862 868 1HG GLN 2 1HG GLN 2 3.450 3.038 1.863 869 2HG GLN 2 2HG GLN 2 2.086 2.592 2.890 870 1HE2 GLN 2 1HE2 GLN 2 0.907 4.239 3.928 871 2HE2 GLN 2 2HE2 GLN 2 0.936 5.866 3.349 872 H TYR 3 H TYR 3 4.087 0.033 2.137 873 HA TYR 3 HA TYR 3 6.658 0.629 0.845 874 1HB TYR 3 1HB TYR 3 4.988 -1.851 0.986 875 2HB TYR 3 2HB TYR 3 6.109 -1.625 -0.353 876 HD1 TYR 3 HD1 TYR 3 5.760 -2.543 3.111 877 HD2 TYR 3 HD2 TYR 3 8.550 -1.281 0.159 878 HE1 TYR 3 HE1 TYR 3 7.608 -3.349 4.520 879 HE2 TYR 3 HE2 TYR 3 10.405 -2.083 1.557 880 HH TYR 3 HH TYR 3 10.735 -3.774 3.387 881 H LYS 4 H LYS 4 6.725 1.561 -1.025 882 HA LYS 4 HA LYS 4 4.242 1.866 -2.579 883 1HB LYS 4 1HB LYS 4 6.662 3.594 -2.224 884 2HB LYS 4 2HB LYS 4 5.711 3.735 -3.696 885 1HG LYS 4 1HG LYS 4 3.756 4.337 -2.453 886 2HG LYS 4 2HG LYS 4 4.574 4.009 -0.925 887 1HD LYS 4 1HD LYS 4 4.540 6.385 -1.285 888 2HD LYS 4 2HD LYS 4 6.198 5.810 -1.472 889 1HE LYS 4 1HE LYS 4 6.077 5.957 -3.835 890 2HE LYS 4 2HE LYS 4 4.330 6.191 -3.799 891 1HZ LYS 4 1HZ LYS 4 4.565 8.355 -3.006 892 2HZ LYS 4 2HZ LYS 4 5.785 8.225 -4.170 893 3HZ LYS 4 3HZ LYS 4 6.172 8.122 -2.528 894 H VAL 5 H VAL 5 4.063 0.851 -4.456 895 HA VAL 5 HA VAL 5 6.462 0.268 -6.034 896 HB VAL 5 HB VAL 5 4.396 -1.864 -5.493 897 1HG1 VAL 5 1HG1 VAL 5 5.357 -2.398 -7.522 898 2HG1 VAL 5 2HG1 VAL 5 6.404 -3.256 -6.392 899 3HG1 VAL 5 3HG1 VAL 5 6.923 -1.717 -7.080 900 1HG2 VAL 5 1HG2 VAL 5 6.224 -2.957 -4.168 901 2HG2 VAL 5 2HG2 VAL 5 5.531 -1.515 -3.426 902 3HG2 VAL 5 3HG2 VAL 5 7.096 -1.426 -4.231 903 H ILE 6 H ILE 6 6.162 0.824 -8.092 904 HA ILE 6 HA ILE 6 3.446 1.340 -9.029 905 HB ILE 6 HB ILE 6 6.037 1.978 -10.436 906 1HG1 ILE 6 1HG1 ILE 6 4.373 3.821 -8.709 907 2HG1 ILE 6 2HG1 ILE 6 5.855 3.039 -8.168 908 1HG2 ILE 6 1HG2 ILE 6 3.914 1.907 -11.769 909 2HG2 ILE 6 2HG2 ILE 6 4.752 3.459 -11.780 910 3HG2 ILE 6 3HG2 ILE 6 3.324 3.235 -10.770 911 1HD1 ILE 6 1HD1 ILE 6 6.969 4.176 -10.161 912 2HD1 ILE 6 2HD1 ILE 6 6.505 5.187 -8.792 913 3HD1 ILE 6 3HD1 ILE 6 5.510 5.164 -10.248 914 H LEU 7 H LEU 7 2.409 -0.169 -10.146 915 HA LEU 7 HA LEU 7 3.970 -2.130 -11.687 916 1HB LEU 7 1HB LEU 7 1.448 -2.265 -10.154 917 2HB LEU 7 2HB LEU 7 1.439 -3.129 -11.679 918 HG LEU 7 HG LEU 7 3.831 -3.903 -10.488 919 1HD1 LEU 7 1HD1 LEU 7 3.109 -2.914 -8.376 920 2HD1 LEU 7 2HD1 LEU 7 3.203 -4.671 -8.267 921 3HD1 LEU 7 3HD1 LEU 7 1.635 -3.880 -8.423 922 1HD2 LEU 7 1HD2 LEU 7 1.152 -5.291 -10.513 923 2HD2 LEU 7 2HD2 LEU 7 2.707 -6.072 -10.223 924 3HD2 LEU 7 3HD2 LEU 7 2.368 -5.337 -11.790 925 H ASN 8 H ASN 8 3.936 -1.998 -13.851 926 HA ASN 8 HA ASN 8 1.596 -1.025 -15.250 927 1HB ASN 8 1HB ASN 8 2.944 1.023 -14.615 928 2HB ASN 8 2HB ASN 8 4.219 0.412 -15.664 929 1HD2 ASN 8 1HD2 ASN 8 2.658 2.858 -15.859 930 2HD2 ASN 8 2HD2 ASN 8 1.889 2.816 -17.405 931 H GLY 9 H GLY 9 1.328 -2.461 -16.826 932 1HA GLY 9 1HA GLY 9 3.599 -3.952 -17.851 933 2HA GLY 9 2HA GLY 9 1.908 -4.236 -18.227 934 H LYS 10 H LYS 10 4.756 -2.366 -19.019 935 HA LYS 10 HA LYS 10 3.552 -0.849 -21.115 936 1HB LYS 10 1HB LYS 10 6.420 -1.473 -20.417 937 2HB LYS 10 2HB LYS 10 5.979 -0.484 -21.802 938 1HG LYS 10 1HG LYS 10 5.342 1.281 -20.518 939 2HG LYS 10 2HG LYS 10 4.851 0.262 -19.163 940 1HD LYS 10 1HD LYS 10 6.951 0.186 -18.283 941 2HD LYS 10 2HD LYS 10 7.733 0.296 -19.861 942 1HE LYS 10 1HE LYS 10 6.252 2.620 -18.673 943 2HE LYS 10 2HE LYS 10 7.937 2.297 -18.269 944 1HZ LYS 10 1HZ LYS 10 8.507 2.466 -20.600 945 2HZ LYS 10 2HZ LYS 10 7.723 3.877 -20.094 946 3HZ LYS 10 3HZ LYS 10 6.887 2.730 -21.013 947 H THR 11 H THR 11 3.707 -1.159 -23.359 948 HA THR 11 HA THR 11 3.702 -3.923 -24.164 949 HB THR 11 HB THR 11 3.162 -2.994 -26.418 950 HG1 THR 11 HG1 THR 11 3.559 -0.985 -26.784 951 1HG2 THR 11 1HG2 THR 11 1.551 -2.264 -24.027 952 2HG2 THR 11 2HG2 THR 11 1.204 -3.418 -25.314 953 3HG2 THR 11 3HG2 THR 11 1.058 -1.686 -25.619 954 H LEU 12 H LEU 12 5.895 -4.489 -23.741 955 HA LEU 12 HA LEU 12 7.897 -3.281 -25.510 956 1HB LEU 12 1HB LEU 12 8.067 -4.962 -23.031 957 2HB LEU 12 2HB LEU 12 9.443 -4.819 -24.107 958 HG LEU 12 HG LEU 12 8.946 -2.221 -23.779 959 1HD1 LEU 12 1HD1 LEU 12 7.001 -3.063 -22.206 960 2HD1 LEU 12 2HD1 LEU 12 7.932 -1.614 -21.829 961 3HD1 LEU 12 3HD1 LEU 12 8.310 -3.139 -21.027 962 1HD2 LEU 12 1HD2 LEU 12 10.395 -3.891 -21.729 963 2HD2 LEU 12 2HD2 LEU 12 10.682 -2.193 -22.105 964 3HD2 LEU 12 3HD2 LEU 12 11.047 -3.434 -23.303 965 H LYS 13 H LYS 13 9.615 -5.012 -26.222 966 HA LYS 13 HA LYS 13 8.120 -7.223 -27.464 967 1HB LYS 13 1HB LYS 13 9.495 -5.229 -28.734 968 2HB LYS 13 2HB LYS 13 10.714 -6.493 -28.646 969 1HG LYS 13 1HG LYS 13 9.794 -7.183 -30.566 970 2HG LYS 13 2HG LYS 13 8.580 -7.913 -29.515 971 1HD LYS 13 1HD LYS 13 8.035 -5.111 -30.102 972 2HD LYS 13 2HD LYS 13 8.103 -6.114 -31.552 973 1HE LYS 13 1HE LYS 13 6.608 -7.324 -29.350 974 2HE LYS 13 2HE LYS 13 5.919 -5.806 -29.926 975 1HZ LYS 13 1HZ LYS 13 5.694 -6.670 -32.089 976 2HZ LYS 13 2HZ LYS 13 5.120 -7.884 -31.061 977 3HZ LYS 13 3HZ LYS 13 6.657 -8.020 -31.753 978 H GLY 14 H GLY 14 9.778 -9.031 -28.181 979 1HA GLY 14 1HA GLY 14 11.558 -10.452 -27.602 980 2HA GLY 14 2HA GLY 14 11.850 -9.469 -26.174 981 H GLU 15 H GLU 15 11.002 -12.447 -27.061 982 HA GLU 15 HA GLU 15 8.736 -12.983 -25.428 983 1HB GLU 15 1HB GLU 15 9.457 -15.385 -25.721 984 2HB GLU 15 2HB GLU 15 9.173 -14.493 -27.209 985 1HG GLU 15 1HG GLU 15 11.928 -14.302 -26.346 986 2HG GLU 15 2HG GLU 15 11.414 -15.974 -26.566 987 H THR 16 H THR 16 9.086 -12.203 -23.362 988 HA THR 16 HA THR 16 11.026 -13.739 -21.773 989 HB THR 16 HB THR 16 10.418 -10.804 -21.371 990 HG1 THR 16 HG1 THR 16 12.618 -12.094 -22.598 991 1HG2 THR 16 1HG2 THR 16 11.457 -10.962 -19.433 992 2HG2 THR 16 2HG2 THR 16 12.885 -11.614 -20.239 993 3HG2 THR 16 3HG2 THR 16 11.624 -12.703 -19.661 994 H THR 17 H THR 17 9.463 -15.111 -20.960 995 HA THR 17 HA THR 17 7.816 -15.838 -19.569 996 HB THR 17 HB THR 17 7.687 -13.276 -18.078 997 HG1 THR 17 HG1 THR 17 9.754 -13.091 -17.924 998 1HG2 THR 17 1HG2 THR 17 6.816 -14.759 -16.662 999 2HG2 THR 17 2HG2 THR 17 8.490 -15.212 -16.343 1000 3HG2 THR 17 3HG2 THR 17 7.533 -16.131 -17.505 1001 H THR 18 H THR 18 5.584 -15.162 -18.595 1002 HA THR 18 HA THR 18 4.125 -13.848 -20.765 1003 HB THR 18 HB THR 18 3.325 -16.052 -20.215 1004 HG1 THR 18 HG1 THR 18 1.230 -15.544 -19.984 1005 1HG2 THR 18 1HG2 THR 18 2.220 -16.360 -17.922 1006 2HG2 THR 18 2HG2 THR 18 3.284 -15.054 -17.399 1007 3HG2 THR 18 3HG2 THR 18 3.970 -16.544 -18.047 1008 H GLU 19 H GLU 19 4.811 -13.575 -17.351 1009 HA GLU 19 HA GLU 19 2.840 -11.637 -16.733 1010 1HB GLU 19 1HB GLU 19 5.473 -12.266 -15.390 1011 2HB GLU 19 2HB GLU 19 4.242 -11.206 -14.718 1012 1HG GLU 19 1HG GLU 19 2.659 -13.102 -14.728 1013 2HG GLU 19 2HG GLU 19 3.963 -14.146 -15.291 1014 H ALA 20 H ALA 20 2.848 -9.458 -16.831 1015 HA ALA 20 HA ALA 20 5.301 -8.098 -17.699 1016 1HB ALA 20 1HB ALA 20 4.089 -8.378 -19.725 1017 2HB ALA 20 2HB ALA 20 3.890 -6.695 -19.234 1018 3HB ALA 20 3HB ALA 20 2.584 -7.850 -18.973 1019 H VAL 21 H VAL 21 4.595 -8.118 -15.146 1020 HA VAL 21 HA VAL 21 3.900 -6.951 -13.298 1021 HB VAL 21 HB VAL 21 5.887 -5.715 -13.879 1022 1HG1 VAL 21 1HG1 VAL 21 4.107 -4.354 -15.841 1023 2HG1 VAL 21 2HG1 VAL 21 5.735 -4.994 -16.047 1024 3HG1 VAL 21 3HG1 VAL 21 5.483 -3.487 -15.168 1025 1HG2 VAL 21 1HG2 VAL 21 4.735 -4.847 -11.987 1026 2HG2 VAL 21 2HG2 VAL 21 3.610 -3.948 -13.007 1027 3HG2 VAL 21 3HG2 VAL 21 5.307 -3.476 -12.936 1028 H ASP 22 H ASP 22 1.672 -7.511 -13.789 1029 HA ASP 22 HA ASP 22 0.022 -5.278 -14.751 1030 1HB ASP 22 1HB ASP 22 -0.228 -7.590 -15.751 1031 2HB ASP 22 2HB ASP 22 -0.888 -8.102 -14.201 1032 H ALA 23 H ALA 23 -1.619 -4.424 -13.604 1033 HA ALA 23 HA ALA 23 -1.366 -4.063 -10.888 1034 1HB ALA 23 1HB ALA 23 -4.116 -3.819 -11.782 1035 2HB ALA 23 2HB ALA 23 -2.969 -3.096 -12.911 1036 3HB ALA 23 3HB ALA 23 -2.993 -2.578 -11.224 1037 H ALA 24 H ALA 24 -3.446 -6.360 -12.617 1038 HA ALA 24 HA ALA 24 -4.741 -7.395 -10.321 1039 1HB ALA 24 1HB ALA 24 -5.420 -9.246 -11.800 1040 2HB ALA 24 2HB ALA 24 -4.321 -8.636 -13.037 1041 3HB ALA 24 3HB ALA 24 -5.701 -7.664 -12.528 1042 H THR 25 H THR 25 -1.749 -8.177 -11.963 1043 HA THR 25 HA THR 25 -1.246 -10.679 -10.771 1044 HB THR 25 HB THR 25 0.563 -8.567 -11.945 1045 HG1 THR 25 HG1 THR 25 0.511 -9.834 -13.698 1046 1HG2 THR 25 1HG2 THR 25 2.333 -9.535 -11.032 1047 2HG2 THR 25 2HG2 THR 25 1.973 -10.931 -12.050 1048 3HG2 THR 25 3HG2 THR 25 1.372 -10.871 -10.393 1049 H PHE 26 H PHE 26 -0.532 -7.383 -9.780 1050 HA PHE 26 HA PHE 26 1.063 -8.027 -7.533 1051 1HB PHE 26 1HB PHE 26 0.996 -5.773 -8.559 1052 2HB PHE 26 2HB PHE 26 -0.650 -5.570 -7.967 1053 HD1 PHE 26 HD1 PHE 26 2.850 -6.089 -6.874 1054 HD2 PHE 26 HD2 PHE 26 -1.060 -4.799 -5.799 1055 HE1 PHE 26 HE1 PHE 26 3.728 -5.216 -4.749 1056 HE2 PHE 26 HE2 PHE 26 -0.190 -3.920 -3.673 1057 HZ PHE 26 HZ PHE 26 2.208 -4.129 -3.144 1058 H GLU 27 H GLU 27 -2.373 -7.132 -7.779 1059 HA GLU 27 HA GLU 27 -3.067 -7.344 -5.113 1060 1HB GLU 27 1HB GLU 27 -4.738 -8.003 -7.543 1061 2HB GLU 27 2HB GLU 27 -5.377 -7.760 -5.923 1062 1HG GLU 27 1HG GLU 27 -4.656 -5.467 -5.927 1063 2HG GLU 27 2HG GLU 27 -3.850 -5.687 -7.480 1064 H LYS 28 H LYS 28 -3.211 -9.906 -7.588 1065 HA LYS 28 HA LYS 28 -4.189 -11.893 -5.848 1066 1HB LYS 28 1HB LYS 28 -4.292 -11.937 -8.350 1067 2HB LYS 28 2HB LYS 28 -2.577 -12.323 -8.363 1068 1HG LYS 28 1HG LYS 28 -3.267 -14.298 -6.831 1069 2HG LYS 28 2HG LYS 28 -4.884 -13.994 -7.470 1070 1HD LYS 28 1HD LYS 28 -2.441 -14.458 -9.178 1071 2HD LYS 28 2HD LYS 28 -3.594 -15.717 -8.731 1072 1HE LYS 28 1HE LYS 28 -5.309 -14.759 -9.989 1073 2HE LYS 28 2HE LYS 28 -4.509 -13.190 -10.057 1074 1HZ LYS 28 1HZ LYS 28 -2.878 -14.083 -11.552 1075 2HZ LYS 28 2HZ LYS 28 -4.416 -14.418 -12.170 1076 3HZ LYS 28 3HZ LYS 28 -3.525 -15.641 -11.415 1077 H VAL 29 H VAL 29 -0.854 -11.246 -6.984 1078 HA VAL 29 HA VAL 29 0.338 -13.388 -5.602 1079 HB VAL 29 HB VAL 29 1.578 -10.765 -6.440 1080 1HG1 VAL 29 1HG1 VAL 29 2.915 -11.944 -4.751 1081 2HG1 VAL 29 2HG1 VAL 29 3.710 -11.929 -6.328 1082 3HG1 VAL 29 3HG1 VAL 29 2.902 -13.391 -5.764 1083 1HG2 VAL 29 1HG2 VAL 29 1.888 -11.601 -8.522 1084 2HG2 VAL 29 2HG2 VAL 29 0.445 -12.525 -8.106 1085 3HG2 VAL 29 3HG2 VAL 29 2.040 -13.263 -7.952 1086 H VAL 30 H VAL 30 -0.187 -10.012 -4.689 1087 HA VAL 30 HA VAL 30 1.254 -10.178 -2.247 1088 HB VAL 30 HB VAL 30 -0.877 -8.183 -3.030 1089 1HG1 VAL 30 1HG1 VAL 30 0.100 -6.736 -1.357 1090 2HG1 VAL 30 2HG1 VAL 30 1.306 -7.959 -0.958 1091 3HG1 VAL 30 3HG1 VAL 30 -0.398 -8.252 -0.605 1092 1HG2 VAL 30 1HG2 VAL 30 2.035 -7.590 -3.137 1093 2HG2 VAL 30 2HG2 VAL 30 0.712 -6.937 -4.102 1094 3HG2 VAL 30 3HG2 VAL 30 1.330 -8.555 -4.434 1095 H LYS 31 H LYS 31 -2.235 -10.406 -2.985 1096 HA LYS 31 HA LYS 31 -3.067 -10.624 -0.305 1097 1HB LYS 31 1HB LYS 31 -4.557 -10.096 -2.224 1098 2HB LYS 31 2HB LYS 31 -4.392 -11.757 -2.774 1099 1HG LYS 31 1HG LYS 31 -5.466 -12.565 -0.763 1100 2HG LYS 31 2HG LYS 31 -5.559 -10.921 -0.127 1101 1HD LYS 31 1HD LYS 31 -7.090 -10.264 -1.827 1102 2HD LYS 31 2HD LYS 31 -6.834 -11.763 -2.724 1103 1HE LYS 31 1HE LYS 31 -7.681 -12.871 -0.505 1104 2HE LYS 31 2HE LYS 31 -8.393 -11.282 -0.224 1105 1HZ LYS 31 1HZ LYS 31 -9.494 -11.478 -2.399 1106 2HZ LYS 31 2HZ LYS 31 -9.973 -12.691 -1.324 1107 3HZ LYS 31 3HZ LYS 31 -8.879 -13.045 -2.564 1108 H GLN 32 H GLN 32 -2.274 -13.068 -2.745 1109 HA GLN 32 HA GLN 32 -2.886 -15.314 -1.147 1110 1HB GLN 32 1HB GLN 32 -2.613 -15.298 -3.646 1111 2HB GLN 32 2HB GLN 32 -0.876 -15.202 -3.394 1112 1HG GLN 32 1HG GLN 32 -1.233 -17.457 -3.733 1113 2HG GLN 32 2HG GLN 32 -1.179 -17.326 -1.977 1114 1HE2 GLN 32 1HE2 GLN 32 -3.198 -17.853 -4.755 1115 2HE2 GLN 32 2HE2 GLN 32 -4.572 -18.453 -3.897 1116 H PHE 33 H PHE 33 0.128 -13.496 -1.662 1117 HA PHE 33 HA PHE 33 1.762 -15.243 -0.173 1118 1HB PHE 33 1HB PHE 33 2.943 -14.016 -1.689 1119 2HB PHE 33 2HB PHE 33 2.004 -12.560 -1.418 1120 HD1 PHE 33 HD1 PHE 33 4.248 -14.711 0.712 1121 HD2 PHE 33 HD2 PHE 33 3.237 -10.837 -0.733 1122 HE1 PHE 33 HE1 PHE 33 6.109 -13.736 2.007 1123 HE2 PHE 33 HE2 PHE 33 5.078 -9.858 0.568 1124 HZ PHE 33 HZ PHE 33 6.515 -11.303 1.945 1125 H PHE 34 H PHE 34 0.222 -12.153 0.713 1126 HA PHE 34 HA PHE 34 1.268 -12.349 3.376 1127 1HB PHE 34 1HB PHE 34 -0.511 -10.379 1.995 1128 2HB PHE 34 2HB PHE 34 -0.308 -10.332 3.748 1129 HD1 PHE 34 HD1 PHE 34 0.853 -8.889 0.862 1130 HD2 PHE 34 HD2 PHE 34 2.320 -10.756 4.396 1131 HE1 PHE 34 HE1 PHE 34 3.012 -7.737 0.575 1132 HE2 PHE 34 HE2 PHE 34 4.474 -9.602 4.119 1133 HZ PHE 34 HZ PHE 34 4.825 -8.095 2.207 1134 H ASN 35 H ASN 35 -1.779 -13.239 1.867 1135 HA ASN 35 HA ASN 35 -3.386 -13.428 4.136 1136 1HB ASN 35 1HB ASN 35 -3.353 -14.913 1.536 1137 2HB ASN 35 2HB ASN 35 -4.423 -15.460 2.822 1138 1HD2 ASN 35 1HD2 ASN 35 -3.630 -12.077 2.372 1139 2HD2 ASN 35 2HD2 ASN 35 -5.192 -11.597 1.817 1140 H ASP 36 H ASP 36 -0.780 -15.444 3.086 1141 HA ASP 36 HA ASP 36 -1.271 -17.755 4.592 1142 1HB ASP 36 1HB ASP 36 1.256 -16.529 3.509 1143 2HB ASP 36 2HB ASP 36 1.273 -18.037 4.418 1144 H ASN 37 H ASN 37 -0.389 -14.648 5.624 1145 HA ASN 37 HA ASN 37 0.660 -15.691 8.171 1146 1HB ASN 37 1HB ASN 37 1.692 -13.588 8.586 1147 2HB ASN 37 2HB ASN 37 2.051 -14.016 6.917 1148 1HD2 ASN 37 1HD2 ASN 37 1.911 -12.401 5.569 1149 2HD2 ASN 37 2HD2 ASN 37 0.856 -11.039 5.704 1150 H GLY 38 H GLY 38 -2.127 -14.204 6.821 1151 1HA GLY 38 1HA GLY 38 -4.048 -14.491 8.422 1152 2HA GLY 38 2HA GLY 38 -3.074 -13.565 9.547 1153 H VAL 39 H VAL 39 -2.873 -12.528 6.278 1154 HA VAL 39 HA VAL 39 -4.322 -10.100 6.977 1155 HB VAL 39 HB VAL 39 -2.894 -10.712 4.388 1156 1HG1 VAL 39 1HG1 VAL 39 -4.144 -8.859 3.903 1157 2HG1 VAL 39 2HG1 VAL 39 -2.713 -8.088 4.587 1158 3HG1 VAL 39 3HG1 VAL 39 -4.159 -8.294 5.575 1159 1HG2 VAL 39 1HG2 VAL 39 -1.877 -9.644 6.998 1160 2HG2 VAL 39 2HG2 VAL 39 -1.104 -9.210 5.472 1161 3HG2 VAL 39 3HG2 VAL 39 -1.191 -10.900 5.967 1162 H ASP 40 H ASP 40 -6.158 -9.339 5.951 1163 HA ASP 40 HA ASP 40 -7.328 -10.824 3.762 1164 1HB ASP 40 1HB ASP 40 -8.487 -10.859 6.536 1165 2HB ASP 40 2HB ASP 40 -9.523 -11.024 5.123 1166 H GLY 41 H GLY 41 -9.720 -9.875 3.471 1167 1HA GLY 41 1HA GLY 41 -11.011 -7.788 3.819 1168 2HA GLY 41 2HA GLY 41 -9.476 -6.939 3.725 1169 H GLU 42 H GLU 42 -9.982 -5.652 1.981 1170 HA GLU 42 HA GLU 42 -9.918 -6.988 -0.600 1171 1HB GLU 42 1HB GLU 42 -12.198 -5.235 0.302 1172 2HB GLU 42 2HB GLU 42 -11.832 -5.497 -1.398 1173 1HG GLU 42 1HG GLU 42 -12.118 -7.924 -1.046 1174 2HG GLU 42 2HG GLU 42 -12.586 -7.597 0.622 1175 H TRP 43 H TRP 43 -9.432 -5.540 -2.368 1176 HA TRP 43 HA TRP 43 -7.562 -3.521 -1.612 1177 1HB TRP 43 1HB TRP 43 -8.600 -4.507 -4.259 1178 2HB TRP 43 2HB TRP 43 -7.510 -3.128 -4.154 1179 HD1 TRP 43 HD1 TRP 43 -7.523 -6.855 -4.239 1180 HE1 TRP 43 HE1 TRP 43 -5.135 -7.755 -3.908 1181 HE3 TRP 43 HE3 TRP 43 -5.227 -2.537 -2.748 1182 HZ2 TRP 43 HZ2 TRP 43 -2.611 -6.766 -3.118 1183 HZ3 TRP 43 HZ3 TRP 43 -2.824 -2.600 -2.223 1184 HH2 TRP 43 HH2 TRP 43 -1.545 -4.672 -2.404 1185 H THR 44 H THR 44 -7.966 -1.505 -1.133 1186 HA THR 44 HA THR 44 -10.420 -0.269 -2.183 1187 HB THR 44 HB THR 44 -10.443 1.145 -0.197 1188 HG1 THR 44 HG1 THR 44 -8.789 1.287 1.084 1189 1HG2 THR 44 1HG2 THR 44 -10.022 -1.692 0.701 1190 2HG2 THR 44 2HG2 THR 44 -11.506 -1.096 -0.044 1191 3HG2 THR 44 3HG2 THR 44 -10.967 -0.436 1.501 1192 H TYR 45 H TYR 45 -10.312 1.665 -3.147 1193 HA TYR 45 HA TYR 45 -7.797 2.526 -4.195 1194 1HB TYR 45 1HB TYR 45 -10.618 3.528 -4.410 1195 2HB TYR 45 2HB TYR 45 -9.285 4.511 -5.007 1196 HD1 TYR 45 HD1 TYR 45 -11.309 1.532 -5.565 1197 HD2 TYR 45 HD2 TYR 45 -7.926 3.740 -6.901 1198 HE1 TYR 45 HE1 TYR 45 -11.322 0.267 -7.675 1199 HE2 TYR 45 HE2 TYR 45 -7.931 2.483 -9.013 1200 HH TYR 45 HH TYR 45 -9.510 1.198 -10.389 1201 H ASP 46 H ASP 46 -6.624 4.382 -3.740 1202 HA ASP 46 HA ASP 46 -6.730 5.287 -1.039 1203 1HB ASP 46 1HB ASP 46 -5.075 6.012 -3.439 1204 2HB ASP 46 2HB ASP 46 -4.983 6.981 -1.972 1205 H ASP 47 H ASP 47 -6.975 7.516 -0.347 1206 HA ASP 47 HA ASP 47 -9.312 8.724 -1.390 1207 1HB ASP 47 1HB ASP 47 -8.767 10.576 0.215 1208 2HB ASP 47 2HB ASP 47 -8.816 8.976 0.947 1209 H ALA 48 H ALA 48 -9.616 10.397 -2.764 1210 HA ALA 48 HA ALA 48 -7.723 11.028 -4.691 1211 1HB ALA 48 1HB ALA 48 -10.248 11.340 -4.767 1212 2HB ALA 48 2HB ALA 48 -9.261 12.579 -5.544 1213 3HB ALA 48 3HB ALA 48 -9.968 12.881 -3.956 1214 H THR 49 H THR 49 -6.276 12.653 -5.005 1215 HA THR 49 HA THR 49 -5.976 14.687 -2.911 1216 HB THR 49 HB THR 49 -3.651 13.135 -4.060 1217 HG1 THR 49 HG1 THR 49 -4.877 11.797 -2.709 1218 1HG2 THR 49 1HG2 THR 49 -2.342 14.117 -2.307 1219 2HG2 THR 49 2HG2 THR 49 -3.756 14.955 -1.669 1220 3HG2 THR 49 3HG2 THR 49 -3.108 15.396 -3.248 1221 H LYS 50 H LYS 50 -4.759 16.571 -3.583 1222 HA LYS 50 HA LYS 50 -4.756 16.923 -6.509 1223 1HB LYS 50 1HB LYS 50 -5.694 18.695 -4.299 1224 2HB LYS 50 2HB LYS 50 -5.010 19.446 -5.735 1225 1HG LYS 50 1HG LYS 50 -6.656 18.184 -7.105 1226 2HG LYS 50 2HG LYS 50 -7.394 17.614 -5.606 1227 1HD LYS 50 1HD LYS 50 -6.984 20.538 -5.916 1228 2HD LYS 50 2HD LYS 50 -8.256 19.784 -6.878 1229 1HE LYS 50 1HE LYS 50 -8.970 18.700 -4.638 1230 2HE LYS 50 2HE LYS 50 -7.994 19.971 -3.901 1231 1HZ LYS 50 1HZ LYS 50 -9.428 21.590 -4.574 1232 2HZ LYS 50 2HZ LYS 50 -10.528 20.319 -4.391 1233 3HZ LYS 50 3HZ LYS 50 -9.965 20.733 -5.931 1234 H THR 51 H THR 51 -3.098 18.139 -7.440 1235 HA THR 51 HA THR 51 -0.892 18.992 -5.724 1236 HB THR 51 HB THR 51 -0.720 16.890 -7.882 1237 HG1 THR 51 HG1 THR 51 -0.951 16.526 -5.475 1238 1HG2 THR 51 1HG2 THR 51 1.676 16.963 -7.805 1239 2HG2 THR 51 2HG2 THR 51 1.640 18.314 -6.674 1240 3HG2 THR 51 3HG2 THR 51 1.066 18.533 -8.328 1241 H PHE 52 H PHE 52 0.008 20.855 -6.401 1242 HA PHE 52 HA PHE 52 -1.087 22.141 -8.742 1243 1HB PHE 52 1HB PHE 52 -0.729 23.357 -6.597 1244 2HB PHE 52 2HB PHE 52 1.008 23.158 -6.811 1245 HD1 PHE 52 HD1 PHE 52 -2.007 24.819 -8.097 1246 HD2 PHE 52 HD2 PHE 52 2.230 24.514 -8.342 1247 HE1 PHE 52 HE1 PHE 52 -1.938 26.895 -9.417 1248 HE2 PHE 52 HE2 PHE 52 2.308 26.589 -9.662 1249 HZ PHE 52 HZ PHE 52 0.222 27.783 -10.201 1250 H THR 53 H THR 53 -0.238 21.952 -10.707 1251 HA THR 53 HA THR 53 2.532 21.075 -10.995 1252 HB THR 53 HB THR 53 0.341 21.405 -13.058 1253 HG1 THR 53 HG1 THR 53 0.173 19.668 -11.450 1254 1HG2 THR 53 1HG2 THR 53 1.884 19.832 -14.368 1255 2HG2 THR 53 2HG2 THR 53 3.156 20.429 -13.302 1256 3HG2 THR 53 3HG2 THR 53 2.270 21.553 -14.334 1257 H VAL 54 H VAL 54 4.131 22.459 -11.430 1258 HA VAL 54 HA VAL 54 3.621 25.244 -11.723 1259 HB VAL 54 HB VAL 54 6.270 23.951 -12.322 1260 1HG1 VAL 54 1HG1 VAL 54 6.580 26.168 -12.711 1261 2HG1 VAL 54 2HG1 VAL 54 6.861 26.162 -10.970 1262 3HG1 VAL 54 3HG1 VAL 54 5.293 26.656 -11.609 1263 1HG2 VAL 54 1HG2 VAL 54 5.964 22.945 -10.291 1264 2HG2 VAL 54 2HG2 VAL 54 4.864 24.196 -9.712 1265 3HG2 VAL 54 3HG2 VAL 54 6.600 24.501 -9.759 1266 H THR 55 H THR 55 4.273 26.602 -13.479 1267 HA THR 55 HA THR 55 4.673 25.348 -16.071 1268 HB THR 55 HB THR 55 2.356 27.217 -15.551 1269 HG1 THR 55 HG1 THR 55 2.414 24.443 -16.133 1270 1HG2 THR 55 1HG2 THR 55 1.873 27.265 -17.750 1271 2HG2 THR 55 2HG2 THR 55 2.550 25.664 -18.049 1272 3HG2 THR 55 3HG2 THR 55 3.620 27.057 -17.888 1273 H GLU 56 H GLU 56 3.688 28.548 -14.888 1274 HA GLU 56 HA GLU 56 4.603 30.616 -15.123 1275 1HB GLU 56 1HB GLU 56 7.232 29.163 -15.434 1276 2HB GLU 56 2HB GLU 56 6.997 30.832 -14.931 1277 1HG GLU 56 1HG GLU 56 6.138 30.196 -12.844 1278 2HG GLU 56 2HG GLU 56 5.889 28.530 -13.362 1279 1H MET 1 1H MET 1 1.096 2.710 -12.311 1280 2H MET 1 2H MET 1 -0.149 1.797 -13.059 1281 3H MET 1 3H MET 1 1.063 1.005 -12.136 1282 HA MET 1 HA MET 1 -0.829 2.974 -11.049 1283 1HB MET 1 1HB MET 1 -0.999 0.029 -11.498 1284 2HB MET 1 2HB MET 1 -1.682 0.679 -10.013 1285 1HG MET 1 1HG MET 1 -2.427 2.057 -12.512 1286 2HG MET 1 2HG MET 1 -3.059 0.427 -12.291 1287 1HE MET 1 1HE MET 1 -2.574 3.869 -10.486 1288 2HE MET 1 2HE MET 1 -2.285 2.710 -9.188 1289 3HE MET 1 3HE MET 1 -3.718 3.739 -9.149 1290 H GLN 2 H GLN 2 -0.452 3.484 -8.981 1291 HA GLN 2 HA GLN 2 1.971 2.436 -7.742 1292 1HB GLN 2 1HB GLN 2 1.543 4.890 -7.848 1293 2HB GLN 2 2HB GLN 2 0.151 4.660 -6.799 1294 1HG GLN 2 1HG GLN 2 1.650 3.773 -5.056 1295 2HG GLN 2 2HG GLN 2 3.027 4.104 -6.106 1296 1HE2 GLN 2 1HE2 GLN 2 3.559 6.270 -6.574 1297 2HE2 GLN 2 2HE2 GLN 2 3.048 7.559 -5.543 1298 H TYR 3 H TYR 3 1.957 0.935 -6.202 1299 HA TYR 3 HA TYR 3 -0.608 0.307 -4.916 1300 1HB TYR 3 1HB TYR 3 1.742 -1.382 -5.679 1301 2HB TYR 3 2HB TYR 3 0.669 -1.909 -4.385 1302 HD1 TYR 3 HD1 TYR 3 1.122 -1.633 -7.949 1303 HD2 TYR 3 HD2 TYR 3 -1.776 -2.220 -4.891 1304 HE1 TYR 3 HE1 TYR 3 -0.445 -2.538 -9.614 1305 HE2 TYR 3 HE2 TYR 3 -3.350 -3.129 -6.545 1306 HH TYR 3 HH TYR 3 -3.213 -4.238 -8.802 1307 H LYS 4 H LYS 4 -0.878 0.593 -2.862 1308 HA LYS 4 HA LYS 4 1.455 1.200 -1.168 1309 1HB LYS 4 1HB LYS 4 -1.396 2.113 -1.130 1310 2HB LYS 4 2HB LYS 4 -0.472 2.115 0.365 1311 1HG LYS 4 1HG LYS 4 1.138 3.627 -0.555 1312 2HG LYS 4 2HG LYS 4 0.397 3.512 -2.153 1313 1HD LYS 4 1HD LYS 4 -0.301 5.572 -1.128 1314 2HD LYS 4 2HD LYS 4 -1.684 4.478 -1.193 1315 1HE LYS 4 1HE LYS 4 -1.509 3.976 1.117 1316 2HE LYS 4 2HE LYS 4 0.075 4.742 1.234 1317 1HZ LYS 4 1HZ LYS 4 -0.858 6.857 1.079 1318 2HZ LYS 4 2HZ LYS 4 -1.921 6.028 2.100 1319 3HZ LYS 4 3HZ LYS 4 -2.332 6.283 0.480 1320 H VAL 5 H VAL 5 2.028 -0.203 0.342 1321 HA VAL 5 HA VAL 5 0.006 -1.928 1.575 1322 HB VAL 5 HB VAL 5 2.604 -3.064 0.541 1323 1HG1 VAL 5 1HG1 VAL 5 1.948 -4.421 2.293 1324 2HG1 VAL 5 2HG1 VAL 5 1.182 -5.208 0.913 1325 3HG1 VAL 5 3HG1 VAL 5 0.230 -4.175 1.979 1326 1HG2 VAL 5 1HG2 VAL 5 1.148 -4.241 -1.125 1327 2HG2 VAL 5 2HG2 VAL 5 1.316 -2.506 -1.388 1328 3HG2 VAL 5 3HG2 VAL 5 -0.158 -3.150 -0.662 1329 H ILE 6 H ILE 6 0.214 -1.920 3.718 1330 HA ILE 6 HA ILE 6 2.679 -0.877 4.886 1331 HB ILE 6 HB ILE 6 0.091 -1.508 6.301 1332 1HG1 ILE 6 1HG1 ILE 6 1.009 1.175 5.252 1333 2HG1 ILE 6 2HG1 ILE 6 -0.179 0.158 4.443 1334 1HG2 ILE 6 1HG2 ILE 6 2.194 -1.291 7.649 1335 2HG2 ILE 6 2HG2 ILE 6 0.919 -0.145 8.066 1336 3HG2 ILE 6 3HG2 ILE 6 2.295 0.381 7.096 1337 1HD1 ILE 6 1HD1 ILE 6 -1.510 0.270 6.601 1338 2HD1 ILE 6 2HD1 ILE 6 -1.418 1.742 5.635 1339 3HD1 ILE 6 3HD1 ILE 6 -0.415 1.569 7.075 1340 H LEU 7 H LEU 7 4.185 -2.240 5.562 1341 HA LEU 7 HA LEU 7 3.394 -4.946 6.405 1342 1HB LEU 7 1HB LEU 7 5.751 -3.837 5.011 1343 2HB LEU 7 2HB LEU 7 6.106 -5.051 6.223 1344 HG LEU 7 HG LEU 7 4.024 -6.166 4.755 1345 1HD1 LEU 7 1HD1 LEU 7 4.292 -4.436 3.051 1346 2HD1 LEU 7 2HD1 LEU 7 4.748 -6.026 2.437 1347 3HD1 LEU 7 3HD1 LEU 7 5.997 -4.863 2.884 1348 1HD2 LEU 7 1HD2 LEU 7 7.002 -6.582 4.502 1349 2HD2 LEU 7 2HD2 LEU 7 5.760 -7.697 3.929 1350 3HD2 LEU 7 3HD2 LEU 7 5.927 -7.373 5.656 1351 H ASN 8 H ASN 8 3.506 -5.441 8.516 1352 HA ASN 8 HA ASN 8 5.486 -4.179 10.217 1353 1HB ASN 8 1HB ASN 8 3.485 -2.635 10.169 1354 2HB ASN 8 2HB ASN 8 2.568 -3.922 10.947 1355 1HD2 ASN 8 1HD2 ASN 8 3.279 -1.230 11.876 1356 2HD2 ASN 8 2HD2 ASN 8 4.099 -1.456 13.379 1357 H GLY 9 H GLY 9 6.379 -5.916 11.100 1358 1HA GLY 9 1HA GLY 9 5.061 -8.383 11.520 1359 2HA GLY 9 2HA GLY 9 6.620 -7.924 12.186 1360 H LYS 10 H LYS 10 3.650 -8.934 13.026 1361 HA LYS 10 HA LYS 10 3.315 -7.259 15.378 1362 1HB LYS 10 1HB LYS 10 1.729 -9.695 14.555 1363 2HB LYS 10 2HB LYS 10 1.271 -8.492 15.753 1364 1HG LYS 10 1HG LYS 10 1.109 -6.799 14.005 1365 2HG LYS 10 2HG LYS 10 1.587 -7.996 12.799 1366 1HD LYS 10 1HD LYS 10 -0.409 -9.219 13.073 1367 2HD LYS 10 2HD LYS 10 -0.808 -8.382 14.574 1368 1HE LYS 10 1HE LYS 10 -2.223 -7.373 13.042 1369 2HE LYS 10 2HE LYS 10 -0.858 -6.259 13.096 1370 1HZ LYS 10 1HZ LYS 10 -1.060 -6.481 10.866 1371 2HZ LYS 10 2HZ LYS 10 -1.721 -8.035 10.949 1372 3HZ LYS 10 3HZ LYS 10 -0.055 -7.816 11.136 1373 H THR 11 H THR 11 2.588 -8.702 17.397 1374 HA THR 11 HA THR 11 4.345 -10.983 17.781 1375 HB THR 11 HB THR 11 5.739 -9.018 18.357 1376 HG1 THR 11 HG1 THR 11 4.957 -10.661 20.528 1377 1HG2 THR 11 1HG2 THR 11 4.845 -8.231 20.837 1378 2HG2 THR 11 2HG2 THR 11 3.387 -8.222 19.844 1379 3HG2 THR 11 3HG2 THR 11 4.794 -7.279 19.353 1380 H LEU 12 H LEU 12 1.526 -10.719 17.650 1381 HA LEU 12 HA LEU 12 0.401 -10.666 20.275 1382 1HB LEU 12 1HB LEU 12 -0.764 -11.807 17.736 1383 2HB LEU 12 2HB LEU 12 -1.649 -11.418 19.199 1384 HG LEU 12 HG LEU 12 -0.184 -9.351 17.565 1385 1HD1 LEU 12 1HD1 LEU 12 -3.101 -10.103 17.465 1386 2HD1 LEU 12 2HD1 LEU 12 -1.914 -10.395 16.194 1387 3HD1 LEU 12 3HD1 LEU 12 -2.351 -8.743 16.630 1388 1HD2 LEU 12 1HD2 LEU 12 -1.855 -7.871 18.785 1389 2HD2 LEU 12 2HD2 LEU 12 -0.533 -8.540 19.742 1390 3HD2 LEU 12 3HD2 LEU 12 -2.142 -9.255 19.841 1391 H LYS 13 H LYS 13 1.554 -13.178 18.110 1392 HA LYS 13 HA LYS 13 0.873 -15.205 20.127 1393 1HB LYS 13 1HB LYS 13 0.156 -15.314 17.597 1394 2HB LYS 13 2HB LYS 13 1.793 -15.912 17.372 1395 1HG LYS 13 1HG LYS 13 1.397 -17.803 18.718 1396 2HG LYS 13 2HG LYS 13 -0.103 -17.128 19.356 1397 1HD LYS 13 1HD LYS 13 0.194 -17.618 16.419 1398 2HD LYS 13 2HD LYS 13 -0.196 -18.954 17.503 1399 1HE LYS 13 1HE LYS 13 -2.170 -17.798 18.281 1400 2HE LYS 13 2HE LYS 13 -1.754 -16.379 17.320 1401 1HZ LYS 13 1HZ LYS 13 -3.417 -18.286 16.497 1402 2HZ LYS 13 2HZ LYS 13 -1.968 -18.871 15.850 1403 3HZ LYS 13 3HZ LYS 13 -2.511 -17.322 15.442 1404 H GLY 14 H GLY 14 2.719 -14.563 21.420 1405 1HA GLY 14 1HA GLY 14 4.743 -15.656 22.126 1406 2HA GLY 14 2HA GLY 14 5.187 -15.833 20.436 1407 H GLU 15 H GLU 15 7.182 -14.925 21.724 1408 HA GLU 15 HA GLU 15 7.095 -11.996 21.770 1409 1HB GLU 15 1HB GLU 15 9.237 -13.877 22.780 1410 2HB GLU 15 2HB GLU 15 9.223 -12.130 22.981 1411 1HG GLU 15 1HG GLU 15 7.470 -12.196 24.510 1412 2HG GLU 15 2HG GLU 15 6.985 -13.821 24.026 1413 H THR 16 H THR 16 7.461 -11.182 19.805 1414 HA THR 16 HA THR 16 8.327 -10.865 17.718 1415 HB THR 16 HB THR 16 9.993 -9.831 19.219 1416 HG1 THR 16 HG1 THR 16 11.590 -9.688 17.655 1417 1HG2 THR 16 1HG2 THR 16 10.862 -11.702 20.428 1418 2HG2 THR 16 2HG2 THR 16 12.173 -10.947 19.520 1419 3HG2 THR 16 3HG2 THR 16 11.447 -12.447 18.941 1420 H THR 17 H THR 17 7.552 -13.585 18.174 1421 HA THR 17 HA THR 17 9.597 -15.113 16.726 1422 HB THR 17 HB THR 17 7.043 -16.200 17.903 1423 HG1 THR 17 HG1 THR 17 8.026 -16.417 19.808 1424 1HG2 THR 17 1HG2 THR 17 9.473 -17.376 16.751 1425 2HG2 THR 17 2HG2 THR 17 7.832 -18.013 16.849 1426 3HG2 THR 17 3HG2 THR 17 8.902 -18.110 18.248 1427 H THR 18 H THR 18 6.032 -14.885 16.682 1428 HA THR 18 HA THR 18 5.914 -15.731 13.941 1429 HB THR 18 HB THR 18 3.440 -15.049 14.249 1430 HG1 THR 18 HG1 THR 18 2.863 -14.296 16.120 1431 1HG2 THR 18 1HG2 THR 18 4.886 -17.306 15.349 1432 2HG2 THR 18 2HG2 THR 18 3.352 -17.252 14.482 1433 3HG2 THR 18 3HG2 THR 18 3.393 -16.961 16.221 1434 H GLU 19 H GLU 19 7.023 -14.232 12.705 1435 HA GLU 19 HA GLU 19 5.601 -11.711 12.281 1436 1HB GLU 19 1HB GLU 19 7.860 -10.567 12.044 1437 2HB GLU 19 2HB GLU 19 7.346 -10.953 13.681 1438 1HG GLU 19 1HG GLU 19 8.787 -12.910 13.690 1439 2HG GLU 19 2HG GLU 19 9.276 -12.570 12.030 1440 H ALA 20 H ALA 20 4.814 -12.738 10.388 1441 HA ALA 20 HA ALA 20 6.713 -13.570 8.361 1442 1HB ALA 20 1HB ALA 20 4.894 -14.966 8.291 1443 2HB ALA 20 2HB ALA 20 4.459 -13.799 7.042 1444 3HB ALA 20 3HB ALA 20 3.750 -13.674 8.653 1445 H VAL 21 H VAL 21 4.504 -10.904 8.977 1446 HA VAL 21 HA VAL 21 5.048 -9.680 6.415 1447 HB VAL 21 HB VAL 21 2.812 -9.471 7.351 1448 1HG1 VAL 21 1HG1 VAL 21 4.280 -8.562 9.722 1449 2HG1 VAL 21 2HG1 VAL 21 2.711 -9.354 9.586 1450 3HG1 VAL 21 3HG1 VAL 21 2.845 -7.615 9.329 1451 1HG2 VAL 21 1HG2 VAL 21 3.487 -7.719 5.871 1452 2HG2 VAL 21 2HG2 VAL 21 4.323 -6.870 7.170 1453 3HG2 VAL 21 3HG2 VAL 21 2.565 -6.998 7.189 1454 H ASP 22 H ASP 22 7.389 -9.692 6.908 1455 HA ASP 22 HA ASP 22 8.244 -7.454 8.608 1456 1HB ASP 22 1HB ASP 22 9.276 -9.730 8.937 1457 2HB ASP 22 2HB ASP 22 9.986 -9.568 7.334 1458 H ALA 23 H ALA 23 9.506 -5.825 7.852 1459 HA ALA 23 HA ALA 23 9.025 -4.789 5.348 1460 1HB ALA 23 1HB ALA 23 11.602 -3.975 6.404 1461 2HB ALA 23 2HB ALA 23 10.342 -4.007 7.639 1462 3HB ALA 23 3HB ALA 23 10.125 -3.038 6.179 1463 H ALA 24 H ALA 24 11.797 -6.722 6.433 1464 HA ALA 24 HA ALA 24 13.238 -6.594 3.997 1465 1HB ALA 24 1HB ALA 24 14.530 -8.484 4.910 1466 2HB ALA 24 2HB ALA 24 13.358 -8.631 6.220 1467 3HB ALA 24 3HB ALA 24 14.340 -7.173 6.074 1468 H THR 25 H THR 25 10.724 -8.711 5.209 1469 HA THR 25 HA THR 25 10.968 -10.791 3.327 1470 HB THR 25 HB THR 25 8.648 -9.778 4.971 1471 HG1 THR 25 HG1 THR 25 9.176 -11.408 6.290 1472 1HG2 THR 25 1HG2 THR 25 7.228 -10.950 3.738 1473 2HG2 THR 25 2HG2 THR 25 8.056 -12.393 4.329 1474 3HG2 THR 25 3HG2 THR 25 8.528 -11.676 2.789 1475 H PHE 26 H PHE 26 9.214 -7.745 3.291 1476 HA PHE 26 HA PHE 26 7.795 -8.183 0.882 1477 1HB PHE 26 1HB PHE 26 7.202 -6.414 2.512 1478 2HB PHE 26 2HB PHE 26 8.673 -5.547 2.080 1479 HD1 PHE 26 HD1 PHE 26 5.464 -6.802 0.720 1480 HD2 PHE 26 HD2 PHE 26 8.717 -4.099 0.246 1481 HE1 PHE 26 HE1 PHE 26 4.260 -5.679 -1.107 1482 HE2 PHE 26 HE2 PHE 26 7.518 -2.970 -1.582 1483 HZ PHE 26 HZ PHE 26 5.286 -3.760 -2.261 1484 H GLU 27 H GLU 27 10.785 -6.366 1.533 1485 HA GLU 27 HA GLU 27 11.383 -5.580 -1.048 1486 1HB GLU 27 1HB GLU 27 13.289 -6.348 1.168 1487 2HB GLU 27 2HB GLU 27 13.743 -5.466 -0.284 1488 1HG GLU 27 1HG GLU 27 12.338 -3.617 0.343 1489 2HG GLU 27 2HG GLU 27 11.721 -4.513 1.731 1490 H LYS 28 H LYS 28 12.438 -8.564 0.597 1491 HA LYS 28 HA LYS 28 13.903 -9.563 -1.592 1492 1HB LYS 28 1HB LYS 28 14.130 -10.285 0.797 1493 2HB LYS 28 2HB LYS 28 12.625 -11.176 0.615 1494 1HG LYS 28 1HG LYS 28 13.829 -12.307 -1.382 1495 2HG LYS 28 2HG LYS 28 15.296 -11.711 -0.604 1496 1HD LYS 28 1HD LYS 28 13.203 -13.378 0.785 1497 2HD LYS 28 2HD LYS 28 14.661 -14.039 0.042 1498 1HE LYS 28 1HE LYS 28 16.063 -13.017 1.595 1499 2HE LYS 28 2HE LYS 28 14.836 -11.844 2.073 1500 1HZ LYS 28 1HZ LYS 28 13.610 -13.583 3.169 1501 2HZ LYS 28 2HZ LYS 28 15.199 -13.575 3.750 1502 3HZ LYS 28 3HZ LYS 28 14.710 -14.756 2.643 1503 H VAL 29 H VAL 29 10.593 -10.347 -0.474 1504 HA VAL 29 HA VAL 29 10.066 -12.263 -2.466 1505 HB VAL 29 HB VAL 29 8.110 -10.513 -0.970 1506 1HG1 VAL 29 1HG1 VAL 29 7.126 -11.512 -2.987 1507 2HG1 VAL 29 2HG1 VAL 29 6.445 -12.203 -1.512 1508 3HG1 VAL 29 3HG1 VAL 29 7.641 -13.109 -2.437 1509 1HG2 VAL 29 1HG2 VAL 29 8.171 -11.968 0.765 1510 2HG2 VAL 29 2HG2 VAL 29 9.811 -12.230 0.172 1511 3HG2 VAL 29 3HG2 VAL 29 8.525 -13.355 -0.264 1512 H VAL 30 H VAL 30 9.467 -8.779 -2.350 1513 HA VAL 30 HA VAL 30 8.037 -8.681 -4.803 1514 HB VAL 30 HB VAL 30 9.473 -6.433 -3.386 1515 1HG1 VAL 30 1HG1 VAL 30 8.013 -4.949 -4.618 1516 2HG1 VAL 30 2HG1 VAL 30 7.232 -6.320 -5.404 1517 3HG1 VAL 30 3HG1 VAL 30 8.922 -5.953 -5.747 1518 1HG2 VAL 30 1HG2 VAL 30 6.530 -6.837 -3.246 1519 2HG2 VAL 30 2HG2 VAL 30 7.627 -6.103 -2.076 1520 3HG2 VAL 30 3HG2 VAL 30 7.564 -7.857 -2.246 1521 H LYS 31 H LYS 31 11.453 -8.008 -3.998 1522 HA LYS 31 HA LYS 31 12.185 -7.178 -6.584 1523 1HB LYS 31 1HB LYS 31 13.525 -6.784 -4.530 1524 2HB LYS 31 2HB LYS 31 13.908 -8.499 -4.480 1525 1HG LYS 31 1HG LYS 31 15.097 -8.335 -6.574 1526 2HG LYS 31 2HG LYS 31 14.634 -6.640 -6.734 1527 1HD LYS 31 1HD LYS 31 15.950 -6.020 -4.847 1528 2HD LYS 31 2HD LYS 31 16.228 -7.708 -4.412 1529 1HE LYS 31 1HE LYS 31 17.274 -7.821 -6.818 1530 2HE LYS 31 2HE LYS 31 17.441 -6.079 -6.595 1531 1HZ LYS 31 1HZ LYS 31 18.650 -6.533 -4.523 1532 2HZ LYS 31 2HZ LYS 31 19.429 -7.193 -5.870 1533 3HZ LYS 31 3HZ LYS 31 18.551 -8.195 -4.830 1534 H GLN 32 H GLN 32 12.313 -10.341 -4.989 1535 HA GLN 32 HA GLN 32 13.518 -11.722 -7.138 1536 1HB GLN 32 1HB GLN 32 13.374 -12.512 -4.753 1537 2HB GLN 32 2HB GLN 32 11.683 -12.899 -5.050 1538 1HG GLN 32 1HG GLN 32 12.742 -14.925 -5.359 1539 2HG GLN 32 2HG GLN 32 12.575 -14.314 -7.005 1540 1HE2 GLN 32 1HE2 GLN 32 14.771 -14.980 -4.399 1541 2HE2 GLN 32 2HE2 GLN 32 16.227 -14.840 -5.319 1542 H PHE 33 H PHE 33 10.116 -11.165 -6.262 1543 HA PHE 33 HA PHE 33 9.040 -12.832 -8.263 1544 1HB PHE 33 1HB PHE 33 7.609 -12.521 -6.515 1545 2HB PHE 33 2HB PHE 33 8.032 -10.831 -6.315 1546 HD1 PHE 33 HD1 PHE 33 6.472 -12.873 -9.070 1547 HD2 PHE 33 HD2 PHE 33 6.291 -9.461 -6.532 1548 HE1 PHE 33 HE1 PHE 33 4.340 -12.202 -10.116 1549 HE2 PHE 33 HE2 PHE 33 4.176 -8.777 -7.582 1550 HZ PHE 33 HZ PHE 33 3.198 -10.143 -9.380 1551 H PHE 34 H PHE 34 9.495 -9.296 -8.156 1552 HA PHE 34 HA PHE 34 8.434 -9.040 -10.809 1553 1HB PHE 34 1HB PHE 34 9.574 -7.094 -8.843 1554 2HB PHE 34 2HB PHE 34 9.283 -6.615 -10.517 1555 HD1 PHE 34 HD1 PHE 34 7.870 -6.494 -7.395 1556 HD2 PHE 34 HD2 PHE 34 6.892 -7.637 -11.377 1557 HE1 PHE 34 HE1 PHE 34 5.476 -6.208 -6.889 1558 HE2 PHE 34 HE2 PHE 34 4.501 -7.345 -10.881 1559 HZ PHE 34 HZ PHE 34 3.788 -6.635 -8.637 1560 H ASN 35 H ASN 35 11.675 -9.330 -9.480 1561 HA ASN 35 HA ASN 35 13.152 -8.350 -11.633 1562 1HB ASN 35 1HB ASN 35 13.704 -10.453 -9.572 1563 2HB ASN 35 2HB ASN 35 14.829 -10.246 -10.909 1564 1HD2 ASN 35 1HD2 ASN 35 13.048 -7.554 -9.548 1565 2HD2 ASN 35 2HD2 ASN 35 14.407 -6.794 -8.804 1566 H ASP 36 H ASP 36 11.354 -11.288 -11.323 1567 HA ASP 36 HA ASP 36 12.463 -12.801 -13.403 1568 1HB ASP 36 1HB ASP 36 9.738 -12.780 -12.128 1569 2HB ASP 36 2HB ASP 36 10.138 -13.888 -13.437 1570 H ASN 37 H ASN 37 10.615 -9.962 -13.545 1571 HA ASN 37 HA ASN 37 9.825 -10.505 -16.329 1572 1HB ASN 37 1HB ASN 37 8.170 -8.801 -16.172 1573 2HB ASN 37 2HB ASN 37 8.041 -9.780 -14.715 1574 1HD2 ASN 37 1HD2 ASN 37 7.737 -8.661 -12.953 1575 2HD2 ASN 37 2HD2 ASN 37 8.306 -7.059 -12.643 1576 H GLY 38 H GLY 38 12.067 -8.673 -14.478 1577 1HA GLY 38 1HA GLY 38 13.907 -7.874 -16.001 1578 2HA GLY 38 2HA GLY 38 12.640 -7.018 -16.860 1579 H VAL 39 H VAL 39 12.287 -7.081 -13.441 1580 HA VAL 39 HA VAL 39 12.868 -4.228 -13.346 1581 HB VAL 39 HB VAL 39 11.826 -5.968 -11.110 1582 1HG1 VAL 39 1HG1 VAL 39 12.444 -4.039 -10.053 1583 2HG1 VAL 39 2HG1 VAL 39 10.822 -3.584 -10.572 1584 3HG1 VAL 39 3HG1 VAL 39 12.225 -3.047 -11.495 1585 1HG2 VAL 39 1HG2 VAL 39 10.408 -4.591 -13.360 1586 2HG2 VAL 39 2HG2 VAL 39 9.609 -4.843 -11.808 1587 3HG2 VAL 39 3HG2 VAL 39 10.188 -6.226 -12.737 1588 H ASP 40 H ASP 40 14.418 -3.262 -12.061 1589 HA ASP 40 HA ASP 40 16.097 -4.869 -10.337 1590 1HB ASP 40 1HB ASP 40 17.079 -3.736 -12.944 1591 2HB ASP 40 2HB ASP 40 18.179 -3.979 -11.590 1592 H GLY 41 H GLY 41 18.087 -3.341 -9.674 1593 1HA GLY 41 1HA GLY 41 18.637 -0.949 -9.348 1594 2HA GLY 41 2HA GLY 41 16.918 -0.690 -9.087 1595 H GLU 42 H GLU 42 17.080 0.138 -7.029 1596 HA GLU 42 HA GLU 42 17.562 -1.828 -4.944 1597 1HB GLU 42 1HB GLU 42 19.136 0.726 -5.207 1598 2HB GLU 42 2HB GLU 42 18.948 -0.101 -3.667 1599 1HG GLU 42 1HG GLU 42 19.958 -2.118 -4.666 1600 2HG GLU 42 2HG GLU 42 20.221 -1.214 -6.156 1601 H TRP 43 H TRP 43 16.733 -1.175 -2.859 1602 HA TRP 43 HA TRP 43 14.291 0.286 -3.092 1603 1HB TRP 43 1HB TRP 43 15.708 -1.045 -0.796 1604 2HB TRP 43 2HB TRP 43 14.239 -0.106 -0.550 1605 HD1 TRP 43 HD1 TRP 43 15.418 -3.501 -1.541 1606 HE1 TRP 43 HE1 TRP 43 13.416 -4.966 -2.229 1607 HE3 TRP 43 HE3 TRP 43 11.822 0.122 -1.831 1608 HZ2 TRP 43 HZ2 TRP 43 10.676 -4.629 -2.818 1609 HZ3 TRP 43 HZ3 TRP 43 9.537 -0.533 -2.465 1610 HH2 TRP 43 HH2 TRP 43 8.977 -2.861 -2.948 1611 H THR 44 H THR 44 14.024 2.374 -2.953 1612 HA THR 44 HA THR 44 16.016 3.958 -1.477 1613 HB THR 44 HB THR 44 15.508 5.813 -2.969 1614 HG1 THR 44 HG1 THR 44 13.831 5.805 -4.229 1615 1HG2 THR 44 1HG2 THR 44 15.933 3.371 -4.666 1616 2HG2 THR 44 2HG2 THR 44 17.198 4.157 -3.721 1617 3HG2 THR 44 3HG2 THR 44 16.403 5.031 -5.031 1618 H TYR 45 H TYR 45 15.353 5.404 -0.010 1619 HA TYR 45 HA TYR 45 12.749 5.096 1.122 1620 1HB TYR 45 1HB TYR 45 15.121 6.826 1.746 1621 2HB TYR 45 2HB TYR 45 13.576 7.127 2.537 1622 HD1 TYR 45 HD1 TYR 45 16.453 4.900 2.306 1623 HD2 TYR 45 HD2 TYR 45 12.621 5.462 4.068 1624 HE1 TYR 45 HE1 TYR 45 16.963 3.152 3.961 1625 HE2 TYR 45 HE2 TYR 45 13.120 3.718 5.727 1626 HH TYR 45 HH TYR 45 15.086 2.652 6.743 1627 H ASP 46 H ASP 46 11.036 6.546 1.168 1628 HA ASP 46 HA ASP 46 10.725 8.167 -1.156 1629 1HB ASP 46 1HB ASP 46 9.042 7.618 1.271 1630 2HB ASP 46 2HB ASP 46 8.582 8.886 0.140 1631 H ASP 47 H ASP 47 10.228 10.459 -1.174 1632 HA ASP 47 HA ASP 47 12.115 11.990 0.277 1633 1HB ASP 47 1HB ASP 47 10.945 13.953 -0.757 1634 2HB ASP 47 2HB ASP 47 11.446 12.724 -1.916 1635 H ALA 48 H ALA 48 11.940 13.203 2.084 1636 HA ALA 48 HA ALA 48 10.033 12.624 4.015 1637 1HB ALA 48 1HB ALA 48 12.332 13.661 4.315 1638 2HB ALA 48 2HB ALA 48 11.043 14.273 5.352 1639 3HB ALA 48 3HB ALA 48 11.566 15.207 3.950 1640 H THR 49 H THR 49 8.177 13.561 4.722 1641 HA THR 49 HA THR 49 7.162 15.912 3.293 1642 HB THR 49 HB THR 49 5.487 13.458 3.840 1643 HG1 THR 49 HG1 THR 49 7.006 13.000 2.230 1644 1HG2 THR 49 1HG2 THR 49 3.865 14.439 2.372 1645 2HG2 THR 49 2HG2 THR 49 4.922 15.817 2.063 1646 3HG2 THR 49 3HG2 THR 49 4.237 15.573 3.670 1647 H LYS 50 H LYS 50 5.453 17.046 4.418 1648 HA LYS 50 HA LYS 50 5.480 16.525 7.319 1649 1HB LYS 50 1HB LYS 50 5.710 19.054 5.753 1650 2HB LYS 50 2HB LYS 50 4.890 19.110 7.308 1651 1HG LYS 50 1HG LYS 50 6.911 18.093 8.340 1652 2HG LYS 50 2HG LYS 50 7.721 18.235 6.779 1653 1HD LYS 50 1HD LYS 50 6.428 20.667 7.887 1654 2HD LYS 50 2HD LYS 50 7.915 20.110 8.656 1655 1HE LYS 50 1HE LYS 50 8.827 19.988 6.235 1656 2HE LYS 50 2HE LYS 50 7.471 21.047 5.847 1657 1HZ LYS 50 1HZ LYS 50 8.356 22.767 7.025 1658 2HZ LYS 50 2HZ LYS 50 9.788 22.014 6.534 1659 3HZ LYS 50 3HZ LYS 50 9.200 21.770 8.100 1660 H THR 51 H THR 51 3.572 16.840 8.482 1661 HA THR 51 HA THR 51 1.130 17.411 6.985 1662 HB THR 51 HB THR 51 1.730 14.834 8.434 1663 HG1 THR 51 HG1 THR 51 1.948 15.263 6.042 1664 1HG2 THR 51 1HG2 THR 51 -0.565 14.171 8.290 1665 2HG2 THR 51 2HG2 THR 51 -1.015 15.719 7.575 1666 3HG2 THR 51 3HG2 THR 51 -0.460 15.648 9.248 1667 H PHE 52 H PHE 52 -0.274 18.623 8.124 1668 HA PHE 52 HA PHE 52 0.471 19.458 10.785 1669 1HB PHE 52 1HB PHE 52 -0.348 21.059 9.060 1670 2HB PHE 52 2HB PHE 52 -1.925 20.279 9.130 1671 HD1 PHE 52 HD1 PHE 52 0.483 22.362 10.965 1672 HD2 PHE 52 HD2 PHE 52 -3.430 20.688 10.934 1673 HE1 PHE 52 HE1 PHE 52 -0.163 23.847 12.818 1674 HE2 PHE 52 HE2 PHE 52 -4.083 22.171 12.786 1675 HZ PHE 52 HZ PHE 52 -2.448 23.753 13.730 1676 H THR 53 H THR 53 -0.185 18.461 12.572 1677 HA THR 53 HA THR 53 -2.527 16.719 12.465 1678 HB THR 53 HB THR 53 -0.454 17.109 14.635 1679 HG1 THR 53 HG1 THR 53 0.168 16.046 12.605 1680 1HG2 THR 53 1HG2 THR 53 -1.364 14.834 15.375 1681 2HG2 THR 53 2HG2 THR 53 -2.805 15.270 14.456 1682 3HG2 THR 53 3HG2 THR 53 -2.280 16.280 15.803 1683 H VAL 54 H VAL 54 -4.455 17.348 13.204 1684 HA VAL 54 HA VAL 54 -4.828 19.946 14.305 1685 HB VAL 54 HB VAL 54 -6.906 17.774 14.386 1686 1HG1 VAL 54 1HG1 VAL 54 -7.877 19.572 15.380 1687 2HG1 VAL 54 2HG1 VAL 54 -8.224 19.979 13.700 1688 3HG1 VAL 54 3HG1 VAL 54 -6.861 20.734 14.526 1689 1HG2 VAL 54 1HG2 VAL 54 -6.381 17.545 12.167 1690 2HG2 VAL 54 2HG2 VAL 54 -5.787 19.200 12.023 1691 3HG2 VAL 54 3HG2 VAL 54 -7.522 18.887 12.079 1692 H THR 55 H THR 55 -5.791 20.469 16.346 1693 HA THR 55 HA THR 55 -5.649 18.468 18.451 1694 HB THR 55 HB THR 55 -4.061 21.035 18.592 1695 HG1 THR 55 HG1 THR 55 -3.226 18.338 18.341 1696 1HG2 THR 55 1HG2 THR 55 -3.519 20.604 20.733 1697 2HG2 THR 55 2HG2 THR 55 -3.624 18.856 20.527 1698 3HG2 THR 55 3HG2 THR 55 -5.094 19.810 20.725 1699 H GLU 56 H GLU 56 -5.773 22.012 18.277 1700 HA GLU 56 HA GLU 56 -7.273 23.532 19.054 1701 1HB GLU 56 1HB GLU 56 -9.297 21.303 18.800 1702 2HB GLU 56 2HB GLU 56 -9.625 23.030 18.828 1703 1HG GLU 56 1HG GLU 56 -8.721 23.349 16.691 1704 2HG GLU 56 2HG GLU 56 -7.922 21.778 16.703 Start of MODEL 5 1 1H MET 1 1H MET 1 10.368 20.567 -1.123 2 2H MET 1 2H MET 1 11.258 21.285 0.157 3 3H MET 1 3H MET 1 9.741 21.940 -0.311 4 HA MET 1 HA MET 1 10.100 19.218 0.729 5 1HB MET 1 1HB MET 1 9.809 21.861 2.073 6 2HB MET 1 2HB MET 1 8.930 20.500 2.755 7 1HG MET 1 1HG MET 1 11.740 19.948 2.146 8 2HG MET 1 2HG MET 1 11.483 21.184 3.373 9 1HE MET 1 1HE MET 1 9.356 17.124 3.801 10 2HE MET 1 2HE MET 1 10.260 17.520 2.336 11 3HE MET 1 3HE MET 1 8.837 18.467 2.778 12 H GLN 2 H GLN 2 8.228 18.087 0.903 13 HA GLN 2 HA GLN 2 5.923 19.189 -0.498 14 1HB GLN 2 1HB GLN 2 6.938 16.826 -0.835 15 2HB GLN 2 2HB GLN 2 6.074 16.412 0.640 16 1HG GLN 2 1HG GLN 2 3.987 16.776 -0.343 17 2HG GLN 2 2HG GLN 2 4.680 17.677 -1.690 18 1HE2 GLN 2 1HE2 GLN 2 5.009 14.476 -0.184 19 2HE2 GLN 2 2HE2 GLN 2 5.019 13.591 -1.667 20 H TYR 3 H TYR 3 4.237 20.044 0.520 21 HA TYR 3 HA TYR 3 3.899 19.441 3.378 22 1HB TYR 3 1HB TYR 3 3.416 21.921 1.774 23 2HB TYR 3 2HB TYR 3 2.531 21.657 3.273 24 HD1 TYR 3 HD1 TYR 3 5.623 22.737 1.812 25 HD2 TYR 3 HD2 TYR 3 3.865 21.274 5.400 26 HE1 TYR 3 HE1 TYR 3 7.541 23.591 3.094 27 HE2 TYR 3 HE2 TYR 3 5.776 22.125 6.692 28 HH TYR 3 HH TYR 3 8.353 22.647 6.036 29 H LYS 4 H LYS 4 2.116 18.625 4.118 30 HA LYS 4 HA LYS 4 -0.101 18.123 2.245 31 1HB LYS 4 1HB LYS 4 1.090 16.567 4.468 32 2HB LYS 4 2HB LYS 4 -0.656 16.452 4.284 33 1HG LYS 4 1HG LYS 4 -0.480 15.537 2.132 34 2HG LYS 4 2HG LYS 4 1.212 16.008 1.980 35 1HD LYS 4 1HD LYS 4 1.501 13.804 2.479 36 2HD LYS 4 2HD LYS 4 1.438 14.452 4.121 37 1HE LYS 4 1HE LYS 4 -0.980 13.943 4.186 38 2HE LYS 4 2HE LYS 4 -0.847 13.219 2.585 39 1HZ LYS 4 1HZ LYS 4 0.595 11.544 3.439 40 2HZ LYS 4 2HZ LYS 4 -0.767 11.602 4.443 41 3HZ LYS 4 3HZ LYS 4 0.690 12.298 4.952 42 H VAL 5 H VAL 5 -2.038 18.996 2.573 43 HA VAL 5 HA VAL 5 -2.792 19.915 5.248 44 HB VAL 5 HB VAL 5 -3.070 21.712 2.836 45 1HG1 VAL 5 1HG1 VAL 5 -3.378 22.382 5.754 46 2HG1 VAL 5 2HG1 VAL 5 -4.726 21.915 4.718 47 3HG1 VAL 5 3HG1 VAL 5 -3.805 23.377 4.362 48 1HG2 VAL 5 1HG2 VAL 5 -1.328 23.105 4.027 49 2HG2 VAL 5 2HG2 VAL 5 -0.744 21.625 3.264 50 3HG2 VAL 5 3HG2 VAL 5 -0.989 21.680 5.011 51 H ILE 6 H ILE 6 -4.789 19.221 5.700 52 HA ILE 6 HA ILE 6 -6.500 18.354 3.497 53 HB ILE 6 HB ILE 6 -6.902 17.898 6.453 54 1HG1 ILE 6 1HG1 ILE 6 -5.832 15.878 4.491 55 2HG1 ILE 6 2HG1 ILE 6 -4.758 16.942 5.393 56 1HG2 ILE 6 1HG2 ILE 6 -8.482 16.227 5.813 57 2HG2 ILE 6 2HG2 ILE 6 -8.064 16.404 4.110 58 3HG2 ILE 6 3HG2 ILE 6 -8.895 17.710 4.955 59 1HD1 ILE 6 1HD1 ILE 6 -6.348 14.633 6.303 60 2HD1 ILE 6 2HD1 ILE 6 -6.202 15.990 7.420 61 3HD1 ILE 6 3HD1 ILE 6 -4.754 15.189 6.809 62 H LEU 7 H LEU 7 -8.017 19.689 2.771 63 HA LEU 7 HA LEU 7 -9.140 21.701 4.603 64 1HB LEU 7 1HB LEU 7 -8.555 21.669 1.697 65 2HB LEU 7 2HB LEU 7 -10.038 22.474 2.170 66 HG LEU 7 HG LEU 7 -8.251 23.567 3.930 67 1HD1 LEU 7 1HD1 LEU 7 -6.783 22.696 1.501 68 2HD1 LEU 7 2HD1 LEU 7 -6.229 22.853 3.169 69 3HD1 LEU 7 3HD1 LEU 7 -6.423 24.290 2.165 70 1HD2 LEU 7 1HD2 LEU 7 -9.934 24.755 2.584 71 2HD2 LEU 7 2HD2 LEU 7 -8.899 24.597 1.167 72 3HD2 LEU 7 3HD2 LEU 7 -8.366 25.564 2.545 73 H ASN 8 H ASN 8 -11.164 21.363 5.325 74 HA ASN 8 HA ASN 8 -13.144 20.141 3.611 75 1HB ASN 8 1HB ASN 8 -13.723 18.383 5.308 76 2HB ASN 8 2HB ASN 8 -12.189 18.129 4.487 77 1HD2 ASN 8 1HD2 ASN 8 -13.746 18.343 7.444 78 2HD2 ASN 8 2HD2 ASN 8 -12.354 18.401 8.465 79 H GLY 9 H GLY 9 -14.760 21.542 3.807 80 1HA GLY 9 1HA GLY 9 -15.273 22.778 6.420 81 2HA GLY 9 2HA GLY 9 -15.887 23.347 4.875 82 H LYS 10 H LYS 10 -16.196 20.766 7.277 83 HA LYS 10 HA LYS 10 -19.008 20.455 6.443 84 1HB LYS 10 1HB LYS 10 -17.011 18.359 7.277 85 2HB LYS 10 2HB LYS 10 -18.743 18.073 7.371 86 1HG LYS 10 1HG LYS 10 -18.901 18.575 4.944 87 2HG LYS 10 2HG LYS 10 -17.140 18.686 4.899 88 1HD LYS 10 1HD LYS 10 -17.112 16.340 5.868 89 2HD LYS 10 2HD LYS 10 -18.839 16.278 5.509 90 1HE LYS 10 1HE LYS 10 -18.180 16.946 3.129 91 2HE LYS 10 2HE LYS 10 -16.535 16.526 3.600 92 1HZ LYS 10 1HZ LYS 10 -18.123 14.769 2.519 93 2HZ LYS 10 2HZ LYS 10 -18.664 14.579 4.109 94 3HZ LYS 10 3HZ LYS 10 -17.036 14.321 3.735 95 H THR 11 H THR 11 -20.247 19.248 8.318 96 HA THR 11 HA THR 11 -19.391 20.259 10.929 97 HB THR 11 HB THR 11 -22.269 20.608 10.320 98 HG1 THR 11 HG1 THR 11 -22.006 22.004 8.797 99 1HG2 THR 11 1HG2 THR 11 -22.216 22.009 12.034 100 2HG2 THR 11 2HG2 THR 11 -20.831 22.881 11.378 101 3HG2 THR 11 3HG2 THR 11 -20.580 21.425 12.339 102 H LEU 12 H LEU 12 -20.201 19.130 12.704 103 HA LEU 12 HA LEU 12 -21.089 16.438 12.100 104 1HB LEU 12 1HB LEU 12 -19.297 17.163 13.832 105 2HB LEU 12 2HB LEU 12 -20.668 17.529 14.860 106 HG LEU 12 HG LEU 12 -21.365 15.052 14.266 107 1HD1 LEU 12 1HD1 LEU 12 -18.366 14.868 14.093 108 2HD1 LEU 12 2HD1 LEU 12 -19.424 14.837 12.681 109 3HD1 LEU 12 3HD1 LEU 12 -19.549 13.573 13.903 110 1HD2 LEU 12 1HD2 LEU 12 -19.109 15.429 16.205 111 2HD2 LEU 12 2HD2 LEU 12 -20.528 14.392 16.342 112 3HD2 LEU 12 3HD2 LEU 12 -20.697 16.140 16.491 113 H LYS 13 H LYS 13 -22.207 19.184 14.026 114 HA LYS 13 HA LYS 13 -24.959 18.463 13.527 115 1HB LYS 13 1HB LYS 13 -24.307 17.115 15.537 116 2HB LYS 13 2HB LYS 13 -23.985 18.621 16.383 117 1HG LYS 13 1HG LYS 13 -26.254 19.239 16.363 118 2HG LYS 13 2HG LYS 13 -26.658 18.011 15.161 119 1HD LYS 13 1HD LYS 13 -27.431 17.078 17.146 120 2HD LYS 13 2HD LYS 13 -25.845 16.329 16.946 121 1HE LYS 13 1HE LYS 13 -24.864 17.878 18.510 122 2HE LYS 13 2HE LYS 13 -26.378 18.772 18.629 123 1HZ LYS 13 1HZ LYS 13 -26.071 17.300 20.516 124 2HZ LYS 13 2HZ LYS 13 -25.961 15.960 19.489 125 3HZ LYS 13 3HZ LYS 13 -27.415 16.820 19.604 126 H GLY 14 H GLY 14 -25.238 20.434 12.557 127 1HA GLY 14 1HA GLY 14 -26.028 22.610 14.076 128 2HA GLY 14 2HA GLY 14 -24.342 22.893 13.667 129 H GLU 15 H GLU 15 -26.933 24.209 12.846 130 HA GLU 15 HA GLU 15 -27.164 23.661 10.030 131 1HB GLU 15 1HB GLU 15 -28.775 25.508 10.017 132 2HB GLU 15 2HB GLU 15 -29.122 24.363 11.308 133 1HG GLU 15 1HG GLU 15 -27.430 26.296 12.425 134 2HG GLU 15 2HG GLU 15 -28.607 27.178 11.455 135 H THR 16 H THR 16 -25.394 24.161 8.863 136 HA THR 16 HA THR 16 -24.146 26.787 9.257 137 HB THR 16 HB THR 16 -22.656 24.822 9.307 138 HG1 THR 16 HG1 THR 16 -21.887 26.830 8.483 139 1HG2 THR 16 1HG2 THR 16 -23.754 24.347 6.568 140 2HG2 THR 16 2HG2 THR 16 -23.523 23.206 7.894 141 3HG2 THR 16 3HG2 THR 16 -22.129 23.820 7.005 142 H THR 17 H THR 17 -23.929 28.261 7.586 143 HA THR 17 HA THR 17 -25.802 27.868 5.371 144 HB THR 17 HB THR 17 -24.435 30.390 6.329 145 HG1 THR 17 HG1 THR 17 -26.056 29.374 7.738 146 1HG2 THR 17 1HG2 THR 17 -26.027 31.606 5.005 147 2HG2 THR 17 2HG2 THR 17 -26.768 30.104 4.454 148 3HG2 THR 17 3HG2 THR 17 -25.121 30.506 3.969 149 H THR 18 H THR 18 -22.418 28.555 6.036 150 HA THR 18 HA THR 18 -21.791 27.860 3.266 151 HB THR 18 HB THR 18 -21.863 30.295 3.270 152 HG1 THR 18 HG1 THR 18 -20.128 29.120 2.162 153 1HG2 THR 18 1HG2 THR 18 -19.760 31.244 4.672 154 2HG2 THR 18 2HG2 THR 18 -20.368 30.009 5.773 155 3HG2 THR 18 3HG2 THR 18 -21.435 31.301 5.220 156 H GLU 19 H GLU 19 -19.837 26.837 2.987 157 HA GLU 19 HA GLU 19 -18.722 25.581 5.289 158 1HB GLU 19 1HB GLU 19 -17.180 24.515 3.701 159 2HB GLU 19 2HB GLU 19 -18.848 24.415 3.149 160 1HG GLU 19 1HG GLU 19 -17.410 26.760 2.166 161 2HG GLU 19 2HG GLU 19 -16.726 25.223 1.644 162 H ALA 20 H ALA 20 -16.710 25.830 6.225 163 HA ALA 20 HA ALA 20 -15.543 28.470 5.944 164 1HB ALA 20 1HB ALA 20 -14.865 26.240 7.855 165 2HB ALA 20 2HB ALA 20 -15.965 27.582 8.180 166 3HB ALA 20 3HB ALA 20 -14.248 27.891 7.928 167 H VAL 21 H VAL 21 -14.298 25.150 6.001 168 HA VAL 21 HA VAL 21 -11.921 26.031 4.543 169 HB VAL 21 HB VAL 21 -12.459 23.275 5.648 170 1HG1 VAL 21 1HG1 VAL 21 -10.032 24.700 4.609 171 2HG1 VAL 21 2HG1 VAL 21 -10.706 23.149 4.108 172 3HG1 VAL 21 3HG1 VAL 21 -9.900 23.297 5.669 173 1HG2 VAL 21 1HG2 VAL 21 -10.925 24.047 7.522 174 2HG2 VAL 21 2HG2 VAL 21 -12.574 24.670 7.547 175 3HG2 VAL 21 3HG2 VAL 21 -11.254 25.691 6.976 176 H ASP 22 H ASP 22 -12.751 26.319 2.482 177 HA ASP 22 HA ASP 22 -13.973 24.012 1.145 178 1HB ASP 22 1HB ASP 22 -15.053 26.276 1.051 179 2HB ASP 22 2HB ASP 22 -13.656 26.843 0.136 180 H ALA 23 H ALA 23 -13.069 22.965 -0.503 181 HA ALA 23 HA ALA 23 -10.389 22.708 -0.863 182 1HB ALA 23 1HB ALA 23 -11.667 22.297 -3.391 183 2HB ALA 23 2HB ALA 23 -12.735 21.773 -2.085 184 3HB ALA 23 3HB ALA 23 -11.105 21.104 -2.213 185 H ALA 24 H ALA 24 -12.516 24.894 -2.684 186 HA ALA 24 HA ALA 24 -10.525 25.900 -4.426 187 1HB ALA 24 1HB ALA 24 -12.945 26.053 -4.873 188 2HB ALA 24 2HB ALA 24 -12.130 27.613 -5.000 189 3HB ALA 24 3HB ALA 24 -13.091 27.233 -3.568 190 H THR 25 H THR 25 -11.367 26.631 -1.142 191 HA THR 25 HA THR 25 -10.396 29.255 -0.923 192 HB THR 25 HB THR 25 -10.442 27.028 1.128 193 HG1 THR 25 HG1 THR 25 -12.288 29.097 0.555 194 1HG2 THR 25 1HG2 THR 25 -10.841 29.335 2.503 195 2HG2 THR 25 2HG2 THR 25 -9.564 29.781 1.372 196 3HG2 THR 25 3HG2 THR 25 -9.343 28.404 2.456 197 H PHE 26 H PHE 26 -8.806 26.136 -0.695 198 HA PHE 26 HA PHE 26 -6.254 27.153 0.071 199 1HB PHE 26 1HB PHE 26 -7.065 24.750 0.335 200 2HB PHE 26 2HB PHE 26 -6.728 24.552 -1.382 201 HD1 PHE 26 HD1 PHE 26 -5.042 25.867 1.678 202 HD2 PHE 26 HD2 PHE 26 -4.688 23.676 -1.953 203 HE1 PHE 26 HE1 PHE 26 -2.683 25.396 2.196 204 HE2 PHE 26 HE2 PHE 26 -2.330 23.200 -1.440 205 HZ PHE 26 HZ PHE 26 -1.324 24.060 0.637 206 H GLU 27 H GLU 27 -7.661 26.128 -3.014 207 HA GLU 27 HA GLU 27 -5.460 26.471 -4.653 208 1HB GLU 27 1HB GLU 27 -8.376 26.919 -5.290 209 2HB GLU 27 2HB GLU 27 -7.102 26.780 -6.493 210 1HG GLU 27 1HG GLU 27 -6.716 24.518 -5.971 211 2HG GLU 27 2HG GLU 27 -7.654 24.623 -4.481 212 H LYS 28 H LYS 28 -8.014 28.879 -3.986 213 HA LYS 28 HA LYS 28 -6.808 30.918 -5.512 214 1HB LYS 28 1HB LYS 28 -9.221 30.787 -4.800 215 2HB LYS 28 2HB LYS 28 -8.706 31.315 -3.204 216 1HG LYS 28 1HG LYS 28 -7.784 33.370 -4.225 217 2HG LYS 28 2HG LYS 28 -8.430 32.846 -5.783 218 1HD LYS 28 1HD LYS 28 -10.180 33.121 -3.358 219 2HD LYS 28 2HD LYS 28 -9.825 34.495 -4.404 220 1HE LYS 28 1HE LYS 28 -10.627 33.053 -6.330 221 2HE LYS 28 2HE LYS 28 -11.239 31.936 -5.111 222 1HZ LYS 28 1HZ LYS 28 -12.742 33.819 -6.094 223 2HZ LYS 28 2HZ LYS 28 -11.986 34.763 -4.910 224 3HZ LYS 28 3HZ LYS 28 -12.857 33.383 -4.463 225 H VAL 29 H VAL 29 -6.788 30.353 -1.975 226 HA VAL 29 HA VAL 29 -5.281 32.640 -1.340 227 HB VAL 29 HB VAL 29 -5.451 30.035 0.182 228 1HG1 VAL 29 1HG1 VAL 29 -4.831 31.365 2.143 229 2HG1 VAL 29 2HG1 VAL 29 -4.632 32.787 1.118 230 3HG1 VAL 29 3HG1 VAL 29 -3.561 31.399 0.917 231 1HG2 VAL 29 1HG2 VAL 29 -7.417 30.702 1.075 232 2HG2 VAL 29 2HG2 VAL 29 -7.541 31.603 -0.435 233 3HG2 VAL 29 3HG2 VAL 29 -6.982 32.412 1.031 234 H VAL 30 H VAL 30 -4.279 29.318 -2.061 235 HA VAL 30 HA VAL 30 -1.539 29.770 -1.455 236 HB VAL 30 HB VAL 30 -2.765 27.591 -3.156 237 1HG1 VAL 30 1HG1 VAL 30 -0.001 27.923 -2.005 238 2HG1 VAL 30 2HG1 VAL 30 -0.458 27.649 -3.689 239 3HG1 VAL 30 3HG1 VAL 30 -0.650 26.359 -2.501 240 1HG2 VAL 30 1HG2 VAL 30 -3.336 27.962 -0.601 241 2HG2 VAL 30 2HG2 VAL 30 -1.787 27.152 -0.385 242 3HG2 VAL 30 3HG2 VAL 30 -3.086 26.350 -1.267 243 H LYS 31 H LYS 31 -3.327 29.718 -4.559 244 HA LYS 31 HA LYS 31 -1.066 30.166 -6.169 245 1HB LYS 31 1HB LYS 31 -3.205 29.370 -7.066 246 2HB LYS 31 2HB LYS 31 -3.960 30.904 -6.653 247 1HG LYS 31 1HG LYS 31 -2.111 31.913 -8.183 248 2HG LYS 31 2HG LYS 31 -2.024 30.273 -8.829 249 1HD LYS 31 1HD LYS 31 -4.564 30.432 -9.085 250 2HD LYS 31 2HD LYS 31 -4.356 32.167 -8.829 251 1HE LYS 31 1HE LYS 31 -2.874 32.298 -10.743 252 2HE LYS 31 2HE LYS 31 -2.977 30.552 -10.972 253 1HZ LYS 31 1HZ LYS 31 -5.111 32.568 -11.361 254 2HZ LYS 31 2HZ LYS 31 -5.439 30.912 -11.258 255 3HZ LYS 31 3HZ LYS 31 -4.459 31.504 -12.503 256 H GLN 32 H GLN 32 -3.407 32.374 -4.696 257 HA GLN 32 HA GLN 32 -2.353 34.747 -5.784 258 1HB GLN 32 1HB GLN 32 -4.592 34.563 -4.735 259 2HB GLN 32 2HB GLN 32 -3.820 34.390 -3.163 260 1HG GLN 32 1HG GLN 32 -4.409 36.621 -3.215 261 2HG GLN 32 2HG GLN 32 -2.712 36.648 -3.697 262 1HE2 GLN 32 1HE2 GLN 32 -2.405 38.130 -5.185 263 2HE2 GLN 32 2HE2 GLN 32 -3.441 38.461 -6.528 264 H PHE 33 H PHE 33 -1.708 33.090 -2.684 265 HA PHE 33 HA PHE 33 0.115 35.033 -1.751 266 1HB PHE 33 1HB PHE 33 -0.837 33.787 -0.059 267 2HB PHE 33 2HB PHE 33 -0.724 32.285 -0.953 268 HD1 PHE 33 HD1 PHE 33 1.742 34.801 0.347 269 HD2 PHE 33 HD2 PHE 33 0.527 30.734 0.067 270 HE1 PHE 33 HE1 PHE 33 3.691 34.125 1.696 271 HE2 PHE 33 HE2 PHE 33 2.474 30.050 1.401 272 HZ PHE 33 HZ PHE 33 4.061 31.740 2.216 273 H PHE 34 H PHE 34 0.595 31.903 -3.380 274 HA PHE 34 HA PHE 34 3.437 32.181 -3.317 275 1HB PHE 34 1HB PHE 34 1.568 30.171 -4.482 276 2HB PHE 34 2HB PHE 34 3.255 30.188 -5.003 277 HD1 PHE 34 HD1 PHE 34 1.026 29.824 -2.085 278 HD2 PHE 34 HD2 PHE 34 4.995 29.452 -3.577 279 HE1 PHE 34 HE1 PHE 34 1.698 28.683 -0.011 280 HE2 PHE 34 HE2 PHE 34 5.670 28.306 -1.508 281 HZ PHE 34 HZ PHE 34 4.025 27.934 0.283 282 H ASN 35 H ASN 35 0.977 32.991 -5.694 283 HA ASN 35 HA ASN 35 2.610 33.259 -7.945 284 1HB ASN 35 1HB ASN 35 0.065 34.582 -7.089 285 2HB ASN 35 2HB ASN 35 0.911 35.191 -8.506 286 1HD2 ASN 35 1HD2 ASN 35 0.962 31.786 -7.649 287 2HD2 ASN 35 2HD2 ASN 35 -0.039 31.259 -8.955 288 H ASP 36 H ASP 36 2.274 35.299 -5.155 289 HA ASP 36 HA ASP 36 3.436 37.658 -6.133 290 1HB ASP 36 1HB ASP 36 3.282 36.506 -3.351 291 2HB ASP 36 2HB ASP 36 3.935 38.105 -3.695 292 H ASN 37 H ASN 37 4.877 34.629 -5.455 293 HA ASN 37 HA ASN 37 7.540 35.873 -5.264 294 1HB ASN 37 1HB ASN 37 8.361 33.767 -4.363 295 2HB ASN 37 2HB ASN 37 6.990 34.344 -3.424 296 1HD2 ASN 37 1HD2 ASN 37 5.649 32.822 -2.861 297 2HD2 ASN 37 2HD2 ASN 37 5.286 31.389 -3.756 298 H GLY 38 H GLY 38 5.540 33.988 -7.361 299 1HA GLY 38 1HA GLY 38 6.474 34.181 -9.709 300 2HA GLY 38 2HA GLY 38 7.901 33.413 -9.046 301 H VAL 39 H VAL 39 4.967 32.185 -7.751 302 HA VAL 39 HA VAL 39 5.381 29.714 -9.236 303 HB VAL 39 HB VAL 39 3.357 30.239 -7.056 304 1HG1 VAL 39 1HG1 VAL 39 2.689 28.291 -8.137 305 2HG1 VAL 39 2HG1 VAL 39 3.688 27.686 -6.816 306 3HG1 VAL 39 3HG1 VAL 39 4.347 27.777 -8.449 307 1HG2 VAL 39 1HG2 VAL 39 5.327 28.710 -5.926 308 2HG2 VAL 39 2HG2 VAL 39 5.136 30.452 -5.711 309 3HG2 VAL 39 3HG2 VAL 39 6.249 29.831 -6.930 310 H ASP 40 H ASP 40 3.883 28.767 -10.593 311 HA ASP 40 HA ASP 40 1.304 29.986 -11.030 312 1HB ASP 40 1HB ASP 40 3.472 30.135 -13.128 313 2HB ASP 40 2HB ASP 40 1.761 30.351 -13.486 314 H GLY 41 H GLY 41 0.401 28.913 -13.225 315 1HA GLY 41 1HA GLY 41 0.566 26.802 -14.522 316 2HA GLY 41 2HA GLY 41 1.001 26.024 -13.010 317 H GLU 42 H GLU 42 -0.694 24.571 -12.967 318 HA GLU 42 HA GLU 42 -3.255 25.707 -12.186 319 1HB GLU 42 1HB GLU 42 -2.875 23.923 -14.580 320 2HB GLU 42 2HB GLU 42 -4.414 24.024 -13.736 321 1HG GLU 42 1HG GLU 42 -4.137 26.583 -14.102 322 2HG GLU 42 2HG GLU 42 -3.006 26.089 -15.360 323 H TRP 43 H TRP 43 -4.658 24.179 -11.136 324 HA TRP 43 HA TRP 43 -3.218 22.318 -9.516 325 1HB TRP 43 1HB TRP 43 -6.127 23.064 -9.737 326 2HB TRP 43 2HB TRP 43 -5.583 21.767 -8.676 327 HD1 TRP 43 HD1 TRP 43 -5.771 25.528 -8.931 328 HE1 TRP 43 HE1 TRP 43 -4.902 26.578 -6.748 329 HE3 TRP 43 HE3 TRP 43 -3.814 21.343 -6.741 330 HZ2 TRP 43 HZ2 TRP 43 -3.562 25.742 -4.406 331 HZ3 TRP 43 HZ3 TRP 43 -2.756 21.553 -4.529 332 HH2 TRP 43 HH2 TRP 43 -2.633 23.708 -3.388 333 H THR 44 H THR 44 -2.662 20.362 -10.072 334 HA THR 44 HA THR 44 -4.321 18.910 -12.020 335 HB THR 44 HB THR 44 -2.313 17.607 -12.552 336 HG1 THR 44 HG1 THR 44 -0.763 17.594 -11.165 337 1HG2 THR 44 1HG2 THR 44 -0.975 19.281 -13.642 338 2HG2 THR 44 2HG2 THR 44 -1.689 20.548 -12.640 339 3HG2 THR 44 3HG2 THR 44 -2.686 19.683 -13.811 340 H TYR 45 H TYR 45 -5.068 16.932 -11.546 341 HA TYR 45 HA TYR 45 -5.250 16.170 -8.809 342 1HB TYR 45 1HB TYR 45 -6.193 14.963 -11.390 343 2HB TYR 45 2HB TYR 45 -6.312 14.051 -9.888 344 HD1 TYR 45 HD1 TYR 45 -7.719 16.709 -11.887 345 HD2 TYR 45 HD2 TYR 45 -7.687 14.964 -8.006 346 HE1 TYR 45 HE1 TYR 45 -9.814 17.881 -11.349 347 HE2 TYR 45 HE2 TYR 45 -9.782 16.129 -7.458 348 HH TYR 45 HH TYR 45 -10.922 18.669 -8.967 349 H ASP 46 H ASP 46 -4.308 14.478 -7.718 350 HA ASP 46 HA ASP 46 -1.701 13.715 -8.567 351 1HB ASP 46 1HB ASP 46 -3.443 13.016 -6.221 352 2HB ASP 46 2HB ASP 46 -1.933 12.149 -6.499 353 H ASP 47 H ASP 47 -0.933 11.507 -8.813 354 HA ASP 47 HA ASP 47 -2.483 10.020 -10.652 355 1HB ASP 47 1HB ASP 47 -0.660 8.302 -10.401 356 2HB ASP 47 2HB ASP 47 -0.095 9.916 -10.819 357 H ALA 48 H ALA 48 -3.854 8.358 -10.392 358 HA ALA 48 HA ALA 48 -5.068 7.804 -7.967 359 1HB ALA 48 1HB ALA 48 -5.990 5.781 -9.139 360 2HB ALA 48 2HB ALA 48 -4.966 6.203 -10.510 361 3HB ALA 48 3HB ALA 48 -6.226 7.315 -9.975 362 H THR 49 H THR 49 -4.888 6.258 -6.428 363 HA THR 49 HA THR 49 -2.742 4.275 -6.657 364 HB THR 49 HB THR 49 -3.152 6.039 -4.233 365 HG1 THR 49 HG1 THR 49 -1.872 7.360 -5.203 366 1HG2 THR 49 1HG2 THR 49 -0.978 5.113 -3.512 367 2HG2 THR 49 2HG2 THR 49 -1.070 3.958 -4.841 368 3HG2 THR 49 3HG2 THR 49 -2.276 3.921 -3.554 369 H LYS 50 H LYS 50 -2.973 2.475 -5.157 370 HA LYS 50 HA LYS 50 -5.717 2.187 -4.117 371 1HB LYS 50 1HB LYS 50 -4.059 0.108 -5.554 372 2HB LYS 50 2HB LYS 50 -5.585 -0.221 -4.747 373 1HG LYS 50 1HG LYS 50 -6.776 1.178 -6.278 374 2HG LYS 50 2HG LYS 50 -5.267 1.741 -7.007 375 1HD LYS 50 1HD LYS 50 -4.810 -0.645 -7.650 376 2HD LYS 50 2HD LYS 50 -6.450 -1.030 -7.124 377 1HE LYS 50 1HE LYS 50 -7.423 0.161 -8.846 378 2HE LYS 50 2HE LYS 50 -6.007 1.190 -9.072 379 1HZ LYS 50 1HZ LYS 50 -6.272 -0.398 -10.882 380 2HZ LYS 50 2HZ LYS 50 -6.173 -1.688 -9.794 381 3HZ LYS 50 3HZ LYS 50 -4.835 -0.681 -10.036 382 H THR 51 H THR 51 -5.831 1.720 -2.040 383 HA THR 51 HA THR 51 -3.447 0.641 -0.692 384 HB THR 51 HB THR 51 -5.651 2.470 0.279 385 HG1 THR 51 HG1 THR 51 -2.829 2.720 0.200 386 1HG2 THR 51 1HG2 THR 51 -4.546 2.515 2.466 387 2HG2 THR 51 2HG2 THR 51 -3.511 1.180 1.963 388 3HG2 THR 51 3HG2 THR 51 -5.252 0.939 2.111 389 H PHE 52 H PHE 52 -3.590 -1.236 0.434 390 HA PHE 52 HA PHE 52 -5.989 -2.811 0.127 391 1HB PHE 52 1HB PHE 52 -3.624 -3.712 -0.101 392 2HB PHE 52 2HB PHE 52 -3.500 -3.587 1.650 393 HD1 PHE 52 HD1 PHE 52 -5.369 -5.216 -1.093 394 HD2 PHE 52 HD2 PHE 52 -4.411 -5.231 3.053 395 HE1 PHE 52 HE1 PHE 52 -6.416 -7.429 -0.863 396 HE2 PHE 52 HE2 PHE 52 -5.458 -7.444 3.291 397 HZ PHE 52 HZ PHE 52 -6.461 -8.547 1.331 398 H THR 53 H THR 53 -7.624 -2.773 1.522 399 HA THR 53 HA THR 53 -7.179 -1.774 4.229 400 HB THR 53 HB THR 53 -9.739 -2.450 2.760 401 HG1 THR 53 HG1 THR 53 -8.427 -0.013 3.340 402 1HG2 THR 53 1HG2 THR 53 -9.324 -1.226 5.471 403 2HG2 THR 53 2HG2 THR 53 -10.235 -2.679 5.066 404 3HG2 THR 53 3HG2 THR 53 -10.826 -1.098 4.559 405 H VAL 54 H VAL 54 -6.872 -3.109 5.880 406 HA VAL 54 HA VAL 54 -7.039 -5.936 5.562 407 HB VAL 54 HB VAL 54 -6.789 -4.527 8.209 408 1HG1 VAL 54 1HG1 VAL 54 -5.277 -6.557 8.594 409 2HG1 VAL 54 2HG1 VAL 54 -6.027 -7.222 7.143 410 3HG1 VAL 54 3HG1 VAL 54 -7.019 -6.826 8.544 411 1HG2 VAL 54 1HG2 VAL 54 -4.782 -4.797 6.013 412 2HG2 VAL 54 2HG2 VAL 54 -4.249 -4.862 7.693 413 3HG2 VAL 54 3HG2 VAL 54 -5.092 -3.433 7.089 414 H THR 55 H THR 55 -8.308 -7.391 6.843 415 HA THR 55 HA THR 55 -10.692 -6.352 8.123 416 HB THR 55 HB THR 55 -10.869 -8.182 5.724 417 HG1 THR 55 HG1 THR 55 -11.954 -6.427 4.792 418 1HG2 THR 55 1HG2 THR 55 -12.961 -7.209 7.634 419 2HG2 THR 55 2HG2 THR 55 -12.633 -8.856 7.097 420 3HG2 THR 55 3HG2 THR 55 -13.349 -7.692 5.983 421 H GLU 56 H GLU 56 -9.791 -9.489 6.743 422 HA GLU 56 HA GLU 56 -9.545 -11.554 7.666 423 1HB GLU 56 1HB GLU 56 -8.793 -10.118 10.210 424 2HB GLU 56 2HB GLU 56 -8.303 -11.726 9.702 425 1HG GLU 56 1HG GLU 56 -6.938 -10.819 7.950 426 2HG GLU 56 2HG GLU 56 -7.528 -9.190 8.281 427 1H MET 1 1H MET 1 -10.251 16.639 2.520 428 2H MET 1 2H MET 1 -11.377 17.385 1.461 429 3H MET 1 3H MET 1 -10.118 18.311 2.170 430 HA MET 1 HA MET 1 -9.661 16.034 0.373 431 1HB MET 1 1HB MET 1 -10.267 18.908 -0.138 432 2HB MET 1 2HB MET 1 -9.047 18.136 -1.146 433 1HG MET 1 1HG MET 1 -11.521 16.599 -0.836 434 2HG MET 1 2HG MET 1 -11.714 18.149 -1.650 435 1HE MET 1 1HE MET 1 -8.461 15.252 -3.125 436 2HE MET 1 2HE MET 1 -9.369 14.902 -1.655 437 3HE MET 1 3HE MET 1 -8.340 16.333 -1.737 438 H GLN 2 H GLN 2 -7.538 15.649 -0.033 439 HA GLN 2 HA GLN 2 -5.629 16.966 1.732 440 1HB GLN 2 1HB GLN 2 -5.838 14.411 1.329 441 2HB GLN 2 2HB GLN 2 -4.957 14.730 -0.157 442 1HG GLN 2 1HG GLN 2 -3.046 15.431 0.987 443 2HG GLN 2 2HG GLN 2 -3.924 15.643 2.502 444 1HE2 GLN 2 1HE2 GLN 2 -3.288 13.078 0.130 445 2HE2 GLN 2 2HE2 GLN 2 -2.957 11.847 1.296 446 H TYR 3 H TYR 3 -4.344 18.557 1.082 447 HA TYR 3 HA TYR 3 -3.969 18.937 -1.810 448 1HB TYR 3 1HB TYR 3 -4.211 20.874 0.459 449 2HB TYR 3 2HB TYR 3 -3.359 21.341 -1.008 450 HD1 TYR 3 HD1 TYR 3 -6.562 20.938 0.552 451 HD2 TYR 3 HD2 TYR 3 -4.605 21.181 -3.218 452 HE1 TYR 3 HE1 TYR 3 -8.707 21.478 -0.522 453 HE2 TYR 3 HE2 TYR 3 -6.743 21.723 -4.302 454 HH TYR 3 HH TYR 3 -9.344 21.186 -3.609 455 H LYS 4 H LYS 4 -2.057 18.963 -2.667 456 HA LYS 4 HA LYS 4 0.291 18.665 -0.914 457 1HB LYS 4 1HB LYS 4 -0.458 17.517 -3.540 458 2HB LYS 4 2HB LYS 4 1.241 17.907 -3.319 459 1HG LYS 4 1HG LYS 4 1.469 16.408 -1.534 460 2HG LYS 4 2HG LYS 4 -0.279 16.266 -1.321 461 1HD LYS 4 1HD LYS 4 0.093 14.322 -2.446 462 2HD LYS 4 2HD LYS 4 -0.113 15.396 -3.832 463 1HE LYS 4 1HE LYS 4 2.341 15.692 -3.916 464 2HE LYS 4 2HE LYS 4 2.500 14.529 -2.601 465 1HZ LYS 4 1HZ LYS 4 1.613 12.817 -3.971 466 2HZ LYS 4 2HZ LYS 4 2.836 13.582 -4.854 467 3HZ LYS 4 3HZ LYS 4 1.215 13.908 -5.202 468 H VAL 5 H VAL 5 1.842 20.151 -0.888 469 HA VAL 5 HA VAL 5 2.147 21.985 -3.150 470 HB VAL 5 HB VAL 5 1.967 23.008 -0.314 471 1HG1 VAL 5 1HG1 VAL 5 1.916 24.542 -2.905 472 2HG1 VAL 5 2HG1 VAL 5 3.385 24.251 -1.972 473 3HG1 VAL 5 3HG1 VAL 5 2.064 25.185 -1.268 474 1HG2 VAL 5 1HG2 VAL 5 -0.178 24.063 -1.122 475 2HG2 VAL 5 2HG2 VAL 5 -0.234 22.321 -0.863 476 3HG2 VAL 5 3HG2 VAL 5 -0.103 22.965 -2.498 477 H ILE 6 H ILE 6 4.239 22.111 -3.687 478 HA ILE 6 HA ILE 6 6.237 21.223 -1.746 479 HB ILE 6 HB ILE 6 6.622 21.782 -4.688 480 1HG1 ILE 6 1HG1 ILE 6 6.323 19.057 -3.438 481 2HG1 ILE 6 2HG1 ILE 6 4.932 19.947 -4.049 482 1HG2 ILE 6 1HG2 ILE 6 8.672 20.582 -4.482 483 2HG2 ILE 6 2HG2 ILE 6 8.297 20.110 -2.826 484 3HG2 ILE 6 3HG2 ILE 6 8.640 21.798 -3.205 485 1HD1 ILE 6 1HD1 ILE 6 7.115 18.606 -5.505 486 2HD1 ILE 6 2HD1 ILE 6 6.508 20.111 -6.192 487 3HD1 ILE 6 3HD1 ILE 6 5.407 18.764 -5.907 488 H LEU 7 H LEU 7 7.293 22.698 -0.601 489 HA LEU 7 HA LEU 7 7.646 25.397 -1.722 490 1HB LEU 7 1HB LEU 7 7.241 24.348 1.021 491 2HB LEU 7 2HB LEU 7 8.373 25.680 0.869 492 HG LEU 7 HG LEU 7 6.252 26.615 -0.582 493 1HD1 LEU 7 1HD1 LEU 7 5.246 24.671 1.421 494 2HD1 LEU 7 2HD1 LEU 7 4.594 25.115 -0.154 495 3HD1 LEU 7 3HD1 LEU 7 4.374 26.189 1.225 496 1HD2 LEU 7 1HD2 LEU 7 7.542 27.827 1.128 497 2HD2 LEU 7 2HD2 LEU 7 6.668 26.956 2.388 498 3HD2 LEU 7 3HD2 LEU 7 5.804 28.061 1.320 499 H ASN 8 H ASN 8 9.640 25.939 -2.413 500 HA ASN 8 HA ASN 8 11.983 24.966 -1.035 501 1HB ASN 8 1HB ASN 8 13.007 24.050 -3.142 502 2HB ASN 8 2HB ASN 8 11.683 23.094 -2.491 503 1HD2 ASN 8 1HD2 ASN 8 12.927 24.595 -5.203 504 2HD2 ASN 8 2HD2 ASN 8 11.533 24.498 -6.219 505 H GLY 9 H GLY 9 13.017 26.824 -0.722 506 1HA GLY 9 1HA GLY 9 13.000 28.848 -2.846 507 2HA GLY 9 2HA GLY 9 13.450 29.117 -1.169 508 H LYS 10 H LYS 10 14.621 26.527 -3.263 509 HA LYS 10 HA LYS 10 17.347 27.507 -2.826 510 1HB LYS 10 1HB LYS 10 16.503 24.858 -4.003 511 2HB LYS 10 2HB LYS 10 18.098 25.301 -3.409 512 1HG LYS 10 1HG LYS 10 16.875 25.656 -1.149 513 2HG LYS 10 2HG LYS 10 15.623 24.648 -1.874 514 1HD LYS 10 1HD LYS 10 17.189 22.853 -2.214 515 2HD LYS 10 2HD LYS 10 18.529 23.868 -1.680 516 1HE LYS 10 1HE LYS 10 17.853 22.340 0.086 517 2HE LYS 10 2HE LYS 10 17.528 24.010 0.550 518 1HZ LYS 10 1HZ LYS 10 15.207 23.681 -0.070 519 2HZ LYS 10 2HZ LYS 10 15.681 22.580 1.123 520 3HZ LYS 10 3HZ LYS 10 15.529 22.072 -0.482 521 H THR 11 H THR 11 18.578 28.306 -4.423 522 HA THR 11 HA THR 11 17.392 28.457 -7.095 523 HB THR 11 HB THR 11 19.779 29.975 -6.036 524 HG1 THR 11 HG1 THR 11 18.443 31.242 -5.059 525 1HG2 THR 11 1HG2 THR 11 19.657 30.042 -8.438 526 2HG2 THR 11 2HG2 THR 11 19.189 31.607 -7.774 527 3HG2 THR 11 3HG2 THR 11 17.954 30.496 -8.369 528 H LEU 12 H LEU 12 17.916 26.535 -8.056 529 HA LEU 12 HA LEU 12 20.787 25.919 -8.299 530 1HB LEU 12 1HB LEU 12 18.365 24.149 -8.232 531 2HB LEU 12 2HB LEU 12 19.857 23.599 -8.970 532 HG LEU 12 HG LEU 12 19.676 24.556 -6.116 533 1HD1 LEU 12 1HD1 LEU 12 19.897 22.064 -5.632 534 2HD1 LEU 12 2HD1 LEU 12 19.357 21.814 -7.291 535 3HD1 LEU 12 3HD1 LEU 12 18.315 22.650 -6.142 536 1HD2 LEU 12 1HD2 LEU 12 21.898 24.673 -7.139 537 2HD2 LEU 12 2HD2 LEU 12 21.781 22.971 -7.585 538 3HD2 LEU 12 3HD2 LEU 12 21.826 23.436 -5.885 539 H LYS 13 H LYS 13 17.719 26.140 -10.004 540 HA LYS 13 HA LYS 13 18.918 27.042 -12.396 541 1HB LYS 13 1HB LYS 13 19.338 24.433 -12.260 542 2HB LYS 13 2HB LYS 13 17.677 24.360 -12.832 543 1HG LYS 13 1HG LYS 13 18.540 26.049 -14.634 544 2HG LYS 13 2HG LYS 13 20.114 25.374 -14.209 545 1HD LYS 13 1HD LYS 13 19.386 24.038 -15.983 546 2HD LYS 13 2HD LYS 13 19.006 23.085 -14.547 547 1HE LYS 13 1HE LYS 13 16.688 24.021 -14.645 548 2HE LYS 13 2HE LYS 13 17.111 24.756 -16.191 549 1HZ LYS 13 1HZ LYS 13 15.973 22.423 -16.081 550 2HZ LYS 13 2HZ LYS 13 17.557 21.880 -15.841 551 3HZ LYS 13 3HZ LYS 13 17.163 22.747 -17.239 552 H GLY 14 H GLY 14 17.368 27.590 -14.020 553 1HA GLY 14 1HA GLY 14 15.311 28.276 -14.778 554 2HA GLY 14 2HA GLY 14 14.614 26.984 -13.815 555 H GLU 15 H GLU 15 12.867 28.532 -13.461 556 HA GLU 15 HA GLU 15 11.708 29.987 -12.153 557 1HB GLU 15 1HB GLU 15 14.042 29.716 -10.250 558 2HB GLU 15 2HB GLU 15 12.422 30.272 -9.851 559 1HG GLU 15 1HG GLU 15 13.149 27.508 -10.795 560 2HG GLU 15 2HG GLU 15 12.793 27.974 -9.133 561 H THR 16 H THR 16 11.756 31.806 -13.407 562 HA THR 16 HA THR 16 13.995 33.527 -13.644 563 HB THR 16 HB THR 16 12.241 33.459 -15.340 564 HG1 THR 16 HG1 THR 16 11.966 35.715 -15.548 565 1HG2 THR 16 1HG2 THR 16 10.492 34.193 -13.077 566 2HG2 THR 16 2HG2 THR 16 10.165 33.196 -14.494 567 3HG2 THR 16 3HG2 THR 16 10.163 34.956 -14.633 568 H THR 17 H THR 17 14.133 35.745 -12.913 569 HA THR 17 HA THR 17 14.281 37.290 -11.257 570 HB THR 17 HB THR 17 12.254 38.089 -10.331 571 HG1 THR 17 HG1 THR 17 11.198 36.507 -9.390 572 1HG2 THR 17 1HG2 THR 17 10.783 38.303 -12.134 573 2HG2 THR 17 2HG2 THR 17 11.254 36.747 -12.817 574 3HG2 THR 17 3HG2 THR 17 12.378 38.107 -12.863 575 H THR 18 H THR 18 13.349 37.521 -8.714 576 HA THR 18 HA THR 18 14.905 35.508 -7.355 577 HB THR 18 HB THR 18 15.202 37.748 -6.598 578 HG1 THR 18 HG1 THR 18 15.168 37.186 -4.586 579 1HG2 THR 18 1HG2 THR 18 12.309 37.927 -6.839 580 2HG2 THR 18 2HG2 THR 18 13.537 39.191 -6.898 581 3HG2 THR 18 3HG2 THR 18 12.937 38.614 -5.341 582 H GLU 19 H GLU 19 14.082 34.523 -5.317 583 HA GLU 19 HA GLU 19 11.222 34.070 -5.159 584 1HB GLU 19 1HB GLU 19 11.518 31.581 -5.224 585 2HB GLU 19 2HB GLU 19 11.775 32.382 -6.770 586 1HG GLU 19 1HG GLU 19 14.073 32.050 -6.701 587 2HG GLU 19 2HG GLU 19 14.076 31.764 -4.964 588 H ALA 20 H ALA 20 10.576 33.112 -3.158 589 HA ALA 20 HA ALA 20 12.659 32.579 -1.191 590 1HB ALA 20 1HB ALA 20 10.571 34.693 -0.686 591 2HB ALA 20 2HB ALA 20 12.255 35.017 -1.093 592 3HB ALA 20 3HB ALA 20 11.856 34.187 0.410 593 H VAL 21 H VAL 21 11.440 30.491 -1.828 594 HA VAL 21 HA VAL 21 8.953 30.181 -0.307 595 HB VAL 21 HB VAL 21 10.250 28.147 -2.122 596 1HG1 VAL 21 1HG1 VAL 21 7.561 28.397 -0.815 597 2HG1 VAL 21 2HG1 VAL 21 8.705 27.055 -0.750 598 3HG1 VAL 21 3HG1 VAL 21 7.811 27.383 -2.237 599 1HG2 VAL 21 1HG2 VAL 21 8.468 28.902 -3.761 600 2HG2 VAL 21 2HG2 VAL 21 9.830 29.997 -3.530 601 3HG2 VAL 21 3HG2 VAL 21 8.285 30.336 -2.753 602 H ASP 22 H ASP 22 9.739 30.102 1.797 603 HA ASP 22 HA ASP 22 11.676 28.004 2.475 604 1HB ASP 22 1HB ASP 22 12.002 30.361 3.275 605 2HB ASP 22 2HB ASP 22 10.542 30.175 4.243 606 H ALA 23 H ALA 23 11.222 26.298 3.704 607 HA ALA 23 HA ALA 23 8.775 25.128 3.850 608 1HB ALA 23 1HB ALA 23 10.240 24.427 6.207 609 2HB ALA 23 2HB ALA 23 11.350 24.656 4.854 610 3HB ALA 23 3HB ALA 23 10.014 23.510 4.715 611 H ALA 24 H ALA 24 10.200 27.247 6.319 612 HA ALA 24 HA ALA 24 8.084 27.036 8.185 613 1HB ALA 24 1HB ALA 24 10.363 27.806 8.750 614 2HB ALA 24 2HB ALA 24 9.104 28.909 9.307 615 3HB ALA 24 3HB ALA 24 10.048 29.301 7.869 616 H THR 25 H THR 25 8.497 28.906 5.293 617 HA THR 25 HA THR 25 6.747 31.042 5.792 618 HB THR 25 HB THR 25 7.385 29.628 3.192 619 HG1 THR 25 HG1 THR 25 8.528 31.901 4.431 620 1HG2 THR 25 1HG2 THR 25 6.985 32.237 2.556 621 2HG2 THR 25 2HG2 THR 25 5.687 31.921 3.710 622 3HG2 THR 25 3HG2 THR 25 5.851 30.915 2.267 623 H PHE 26 H PHE 26 6.200 27.787 4.605 624 HA PHE 26 HA PHE 26 3.425 28.133 4.046 625 1HB PHE 26 1HB PHE 26 4.930 26.286 3.138 626 2HB PHE 26 2HB PHE 26 4.754 25.507 4.706 627 HD1 PHE 26 HD1 PHE 26 2.594 27.056 2.084 628 HD2 PHE 26 HD2 PHE 26 3.120 23.912 4.904 629 HE1 PHE 26 HE1 PHE 26 0.477 26.046 1.345 630 HE2 PHE 26 HE2 PHE 26 1.004 22.895 4.168 631 HZ PHE 26 HZ PHE 26 -0.320 23.962 2.386 632 H GLU 27 H GLU 27 5.227 26.758 6.767 633 HA GLU 27 HA GLU 27 3.104 25.911 8.330 634 1HB GLU 27 1HB GLU 27 5.763 27.040 9.204 635 2HB GLU 27 2HB GLU 27 4.654 26.174 10.256 636 1HG GLU 27 1HG GLU 27 4.966 24.153 9.101 637 2HG GLU 27 2HG GLU 27 5.742 24.960 7.740 638 H LYS 28 H LYS 28 4.749 29.077 8.504 639 HA LYS 28 HA LYS 28 3.043 30.112 10.495 640 1HB LYS 28 1HB LYS 28 5.341 30.947 9.883 641 2HB LYS 28 2HB LYS 28 4.607 31.726 8.489 642 1HG LYS 28 1HG LYS 28 3.149 33.007 10.017 643 2HG LYS 28 2HG LYS 28 3.998 32.281 11.383 644 1HD LYS 28 1HD LYS 28 5.464 33.771 9.226 645 2HD LYS 28 2HD LYS 28 4.748 34.606 10.607 646 1HE LYS 28 1HE LYS 28 6.044 32.996 12.072 647 2HE LYS 28 2HE LYS 28 6.913 32.517 10.615 648 1HZ LYS 28 1HZ LYS 28 7.810 34.407 12.161 649 2HZ LYS 28 2HZ LYS 28 6.746 35.370 11.267 650 3HZ LYS 28 3HZ LYS 28 7.975 34.515 10.480 651 H VAL 29 H VAL 29 3.031 30.610 6.949 652 HA VAL 29 HA VAL 29 0.860 32.395 6.925 653 HB VAL 29 HB VAL 29 1.763 30.522 4.732 654 1HG1 VAL 29 1HG1 VAL 29 0.668 32.093 3.205 655 2HG1 VAL 29 2HG1 VAL 29 0.083 33.026 4.581 656 3HG1 VAL 29 3HG1 VAL 29 -0.491 31.377 4.327 657 1HG2 VAL 29 1HG2 VAL 29 3.377 31.997 4.159 658 2HG2 VAL 29 2HG2 VAL 29 3.284 32.419 5.868 659 3HG2 VAL 29 3HG2 VAL 29 2.434 33.396 4.672 660 H VAL 30 H VAL 30 0.976 28.866 6.615 661 HA VAL 30 HA VAL 30 -1.795 28.599 6.036 662 HB VAL 30 HB VAL 30 0.125 26.516 7.096 663 1HG1 VAL 30 1HG1 VAL 30 -2.651 26.284 5.953 664 2HG1 VAL 30 2HG1 VAL 30 -2.064 25.706 7.511 665 3HG1 VAL 30 3HG1 VAL 30 -1.527 24.928 6.024 666 1HG2 VAL 30 1HG2 VAL 30 0.435 27.764 4.785 667 2HG2 VAL 30 2HG2 VAL 30 -0.795 26.608 4.272 668 3HG2 VAL 30 3HG2 VAL 30 0.728 26.033 4.946 669 H LYS 31 H LYS 31 0.063 28.210 9.074 670 HA LYS 31 HA LYS 31 -2.151 27.455 10.636 671 1HB LYS 31 1HB LYS 31 0.169 27.139 11.368 672 2HB LYS 31 2HB LYS 31 0.393 28.881 11.446 673 1HG LYS 31 1HG LYS 31 -1.604 28.787 13.114 674 2HG LYS 31 2HG LYS 31 -1.156 27.085 13.257 675 1HD LYS 31 1HD LYS 31 1.222 27.936 13.666 676 2HD LYS 31 2HD LYS 31 0.481 29.518 13.914 677 1HE LYS 31 1HE LYS 31 -0.886 28.625 15.709 678 2HE LYS 31 2HE LYS 31 -0.232 27.010 15.431 679 1HZ LYS 31 1HZ LYS 31 1.184 29.390 16.483 680 2HZ LYS 31 2HZ LYS 31 2.005 28.019 15.928 681 3HZ LYS 31 3HZ LYS 31 0.946 27.896 17.243 682 H GLN 32 H GLN 32 -0.682 30.606 9.971 683 HA GLN 32 HA GLN 32 -2.368 32.117 11.644 684 1HB GLN 32 1HB GLN 32 -0.235 32.946 10.690 685 2HB GLN 32 2HB GLN 32 -0.990 33.000 9.102 686 1HG GLN 32 1HG GLN 32 -1.112 35.191 9.829 687 2HG GLN 32 2HG GLN 32 -2.714 34.552 10.201 688 1HE2 GLN 32 1HE2 GLN 32 -3.409 35.371 12.033 689 2HE2 GLN 32 2HE2 GLN 32 -2.478 35.598 13.471 690 H PHE 33 H PHE 33 -2.610 31.304 8.172 691 HA PHE 33 HA PHE 33 -4.989 32.764 7.753 692 1HB PHE 33 1HB PHE 33 -3.777 32.418 5.821 693 2HB PHE 33 2HB PHE 33 -3.374 30.764 6.240 694 HD1 PHE 33 HD1 PHE 33 -6.559 32.649 5.604 695 HD2 PHE 33 HD2 PHE 33 -4.128 29.262 4.759 696 HE1 PHE 33 HE1 PHE 33 -8.262 31.819 4.026 697 HE2 PHE 33 HE2 PHE 33 -5.826 28.421 3.194 698 HZ PHE 33 HZ PHE 33 -7.896 29.693 2.826 699 H PHE 34 H PHE 34 -4.394 29.310 8.388 700 HA PHE 34 HA PHE 34 -7.180 28.696 8.275 701 1HB PHE 34 1HB PHE 34 -4.726 27.122 8.900 702 2HB PHE 34 2HB PHE 34 -6.307 26.462 9.324 703 HD1 PHE 34 HD1 PHE 34 -4.215 27.662 6.533 704 HD2 PHE 34 HD2 PHE 34 -7.800 25.667 7.666 705 HE1 PHE 34 HE1 PHE 34 -4.595 27.017 4.190 706 HE2 PHE 34 HE2 PHE 34 -8.183 25.015 5.326 707 HZ PHE 34 HZ PHE 34 -6.587 25.703 3.582 708 H ASN 35 H ASN 35 -4.985 29.509 10.898 709 HA ASN 35 HA ASN 35 -6.512 28.599 13.051 710 1HB ASN 35 1HB ASN 35 -4.550 30.835 12.731 711 2HB ASN 35 2HB ASN 35 -5.475 30.717 14.223 712 1HD2 ASN 35 1HD2 ASN 35 -4.502 27.864 12.420 713 2HD2 ASN 35 2HD2 ASN 35 -3.328 27.322 13.565 714 H ASP 36 H ASP 36 -6.960 31.354 10.986 715 HA ASP 36 HA ASP 36 -8.752 32.848 12.545 716 1HB ASP 36 1HB ASP 36 -8.375 32.653 9.559 717 2HB ASP 36 2HB ASP 36 -9.479 33.796 10.317 718 H ASN 37 H ASN 37 -9.209 29.851 10.959 719 HA ASN 37 HA ASN 37 -12.133 30.205 11.008 720 1HB ASN 37 1HB ASN 37 -12.301 28.299 9.503 721 2HB ASN 37 2HB ASN 37 -11.221 29.519 8.835 722 1HD2 ASN 37 1HD2 ASN 37 -9.498 28.719 7.925 723 2HD2 ASN 37 2HD2 ASN 37 -8.670 27.276 8.386 724 H GLY 38 H GLY 38 -9.550 28.512 12.565 725 1HA GLY 38 1HA GLY 38 -10.388 27.723 14.824 726 2HA GLY 38 2HA GLY 38 -11.533 26.775 13.900 727 H VAL 39 H VAL 39 -8.424 26.951 12.451 728 HA VAL 39 HA VAL 39 -7.979 24.156 13.139 729 HB VAL 39 HB VAL 39 -6.326 25.892 11.300 730 1HG1 VAL 39 1HG1 VAL 39 -5.029 24.031 11.801 731 2HG1 VAL 39 2HG1 VAL 39 -5.857 23.543 10.322 732 3HG1 VAL 39 3HG1 VAL 39 -6.424 22.955 11.885 733 1HG2 VAL 39 1HG2 VAL 39 -7.771 24.213 9.688 734 2HG2 VAL 39 2HG2 VAL 39 -8.144 25.911 9.990 735 3HG2 VAL 39 3HG2 VAL 39 -8.948 24.652 10.926 736 H ASP 40 H ASP 40 -6.199 23.375 14.237 737 HA ASP 40 HA ASP 40 -4.111 25.157 15.126 738 1HB ASP 40 1HB ASP 40 -6.116 24.013 17.075 739 2HB ASP 40 2HB ASP 40 -4.543 24.640 17.559 740 H GLY 41 H GLY 41 -2.820 23.830 16.964 741 1HA GLY 41 1HA GLY 41 -2.257 21.494 17.586 742 2HA GLY 41 2HA GLY 41 -2.500 21.091 15.892 743 H GLU 42 H GLU 42 -0.438 20.316 15.515 744 HA GLU 42 HA GLU 42 1.600 22.370 15.216 745 1HB GLU 42 1HB GLU 42 1.906 19.950 16.979 746 2HB GLU 42 2HB GLU 42 3.297 20.755 16.268 747 1HG GLU 42 1HG GLU 42 2.264 22.889 17.336 748 2HG GLU 42 2HG GLU 42 1.403 21.735 18.350 749 H TRP 43 H TRP 43 3.359 21.726 13.839 750 HA TRP 43 HA TRP 43 2.498 20.059 11.686 751 1HB TRP 43 1HB TRP 43 5.036 21.577 12.251 752 2HB TRP 43 2HB TRP 43 4.876 20.538 10.838 753 HD1 TRP 43 HD1 TRP 43 3.894 23.929 12.168 754 HE1 TRP 43 HE1 TRP 43 2.640 25.236 10.341 755 HE3 TRP 43 HE3 TRP 43 3.234 20.155 8.784 756 HZ2 TRP 43 HZ2 TRP 43 1.516 24.731 7.799 757 HZ3 TRP 43 HZ3 TRP 43 2.059 20.650 6.679 758 HH2 TRP 43 HH2 TRP 43 1.218 22.891 6.199 759 H THR 44 H THR 44 2.601 17.953 11.635 760 HA THR 44 HA THR 44 4.722 16.596 13.157 761 HB THR 44 HB THR 44 3.247 14.637 13.199 762 HG1 THR 44 HG1 THR 44 1.720 14.541 11.790 763 1HG2 THR 44 1HG2 THR 44 1.509 15.424 14.661 764 2HG2 THR 44 2HG2 THR 44 1.739 17.078 14.098 765 3HG2 THR 44 3HG2 THR 44 3.010 16.275 15.015 766 H TYR 45 H TYR 45 6.023 15.172 12.171 767 HA TYR 45 HA TYR 45 6.305 15.327 9.341 768 1HB TYR 45 1HB TYR 45 7.697 13.787 11.510 769 2HB TYR 45 2HB TYR 45 8.022 13.425 9.816 770 HD1 TYR 45 HD1 TYR 45 8.618 15.711 12.552 771 HD2 TYR 45 HD2 TYR 45 8.966 15.208 8.342 772 HE1 TYR 45 HE1 TYR 45 10.218 17.577 12.468 773 HE2 TYR 45 HE2 TYR 45 10.568 17.071 8.245 774 HH TYR 45 HH TYR 45 10.921 19.308 10.449 775 H ASP 46 H ASP 46 5.881 13.816 7.768 776 HA ASP 46 HA ASP 46 3.686 12.067 8.243 777 1HB ASP 46 1HB ASP 46 5.443 12.654 5.877 778 2HB ASP 46 2HB ASP 46 4.302 11.313 5.825 779 H ASP 47 H ASP 47 3.660 9.756 7.814 780 HA ASP 47 HA ASP 47 5.685 8.369 9.217 781 1HB ASP 47 1HB ASP 47 4.483 6.313 8.401 782 2HB ASP 47 2HB ASP 47 3.460 7.479 9.236 783 H ALA 48 H ALA 48 7.490 7.357 8.553 784 HA ALA 48 HA ALA 48 8.697 7.930 6.126 785 1HB ALA 48 1HB ALA 48 10.271 6.068 6.711 786 2HB ALA 48 2HB ALA 48 9.229 5.713 8.089 787 3HB ALA 48 3HB ALA 48 10.037 7.276 7.975 788 H THR 49 H THR 49 8.940 6.900 4.207 789 HA THR 49 HA THR 49 7.534 4.366 3.761 790 HB THR 49 HB THR 49 7.253 6.790 1.971 791 HG1 THR 49 HG1 THR 49 5.678 7.304 3.228 792 1HG2 THR 49 1HG2 THR 49 5.452 5.483 0.902 793 2HG2 THR 49 2HG2 THR 49 5.957 4.082 1.845 794 3HG2 THR 49 3HG2 THR 49 7.057 4.795 0.667 795 H LYS 50 H LYS 50 8.245 3.244 1.815 796 HA LYS 50 HA LYS 50 10.886 4.150 0.866 797 1HB LYS 50 1HB LYS 50 10.038 1.333 1.557 798 2HB LYS 50 2HB LYS 50 11.550 1.750 0.765 799 1HG LYS 50 1HG LYS 50 12.315 2.939 2.690 800 2HG LYS 50 2HG LYS 50 10.742 2.776 3.473 801 1HD LYS 50 1HD LYS 50 11.067 0.286 3.391 802 2HD LYS 50 2HD LYS 50 12.720 0.591 2.850 803 1HE LYS 50 1HE LYS 50 13.362 1.481 4.881 804 2HE LYS 50 2HE LYS 50 11.712 1.912 5.330 805 1HZ LYS 50 1HZ LYS 50 12.534 0.038 6.620 806 2HZ LYS 50 2HZ LYS 50 12.795 -0.851 5.206 807 3HZ LYS 50 3HZ LYS 50 11.222 -0.426 5.659 808 H THR 51 H THR 51 11.043 4.360 -1.251 809 HA THR 51 HA THR 51 9.054 3.027 -2.963 810 HB THR 51 HB THR 51 10.530 5.649 -3.264 811 HG1 THR 51 HG1 THR 51 7.777 4.978 -3.256 812 1HG2 THR 51 1HG2 THR 51 9.372 5.974 -5.396 813 2HG2 THR 51 2HG2 THR 51 8.814 4.302 -5.344 814 3HG2 THR 51 3HG2 THR 51 10.538 4.652 -5.475 815 H PHE 52 H PHE 52 9.722 1.695 -4.573 816 HA PHE 52 HA PHE 52 12.503 0.926 -4.618 817 1HB PHE 52 1HB PHE 52 10.551 -0.693 -4.766 818 2HB PHE 52 2HB PHE 52 10.308 -0.116 -6.411 819 HD1 PHE 52 HD1 PHE 52 12.736 -1.782 -4.172 820 HD2 PHE 52 HD2 PHE 52 11.603 -0.933 -8.186 821 HE1 PHE 52 HE1 PHE 52 14.407 -3.397 -4.981 822 HE2 PHE 52 HE2 PHE 52 13.272 -2.548 -9.002 823 HZ PHE 52 HZ PHE 52 14.677 -3.781 -7.398 824 H THR 53 H THR 53 13.977 1.869 -5.868 825 HA THR 53 HA THR 53 13.115 3.412 -8.191 826 HB THR 53 HB THR 53 15.826 3.171 -6.867 827 HG1 THR 53 HG1 THR 53 13.799 5.141 -6.776 828 1HG2 THR 53 1HG2 THR 53 14.916 4.931 -9.126 829 2HG2 THR 53 2HG2 THR 53 16.256 3.783 -9.115 830 3HG2 THR 53 3HG2 THR 53 16.348 5.256 -8.145 831 H VAL 54 H VAL 54 13.159 2.581 -10.170 832 HA VAL 54 HA VAL 54 14.211 -0.020 -10.668 833 HB VAL 54 HB VAL 54 13.411 1.936 -12.811 834 1HG1 VAL 54 1HG1 VAL 54 12.588 -0.263 -13.830 835 2HG1 VAL 54 2HG1 VAL 54 13.566 -1.052 -12.592 836 3HG1 VAL 54 3HG1 VAL 54 14.329 0.014 -13.773 837 1HG2 VAL 54 1HG2 VAL 54 11.687 0.427 -10.889 838 2HG2 VAL 54 2HG2 VAL 54 11.126 0.716 -12.533 839 3HG2 VAL 54 3HG2 VAL 54 11.521 2.078 -11.485 840 H THR 55 H THR 55 15.808 -0.578 -12.252 841 HA THR 55 HA THR 55 17.688 1.473 -13.066 842 HB THR 55 HB THR 55 18.537 -0.824 -11.291 843 HG1 THR 55 HG1 THR 55 19.068 0.833 -9.841 844 1HG2 THR 55 1HG2 THR 55 20.131 1.257 -12.741 845 2HG2 THR 55 2HG2 THR 55 20.358 -0.491 -12.710 846 3HG2 THR 55 3HG2 THR 55 20.725 0.471 -11.279 847 H GLU 56 H GLU 56 17.871 -2.047 -12.692 848 HA GLU 56 HA GLU 56 18.238 -3.727 -14.182 849 1HB GLU 56 1HB GLU 56 16.951 -1.930 -16.234 850 2HB GLU 56 2HB GLU 56 17.016 -3.687 -16.236 851 1HG GLU 56 1HG GLU 56 15.524 -3.799 -14.360 852 2HG GLU 56 2HG GLU 56 15.557 -2.043 -14.179 853 1H MET 1 1H MET 1 4.550 -0.230 8.506 854 2H MET 1 2H MET 1 6.093 -0.818 8.974 855 3H MET 1 3H MET 1 5.220 -1.597 7.719 856 HA MET 1 HA MET 1 6.118 1.195 7.597 857 1HB MET 1 1HB MET 1 7.495 -1.383 7.022 858 2HB MET 1 2HB MET 1 7.767 -0.049 5.911 859 1HG MET 1 1HG MET 1 8.022 0.659 8.741 860 2HG MET 1 2HG MET 1 9.197 -0.526 8.170 861 1HE MET 1 1HE MET 1 8.650 3.386 5.811 862 2HE MET 1 2HE MET 1 7.579 2.996 7.154 863 3HE MET 1 3HE MET 1 7.610 1.965 5.724 864 H GLN 2 H GLN 2 5.614 2.198 5.715 865 HA GLN 2 HA GLN 2 3.649 0.866 4.024 866 1HB GLN 2 1HB GLN 2 3.466 3.271 4.969 867 2HB GLN 2 2HB GLN 2 4.584 3.704 3.682 868 1HG GLN 2 1HG GLN 2 3.053 3.156 2.007 869 2HG GLN 2 2HG GLN 2 2.041 2.225 3.114 870 1HE2 GLN 2 1HE2 GLN 2 3.322 5.521 2.781 871 2HE2 GLN 2 2HE2 GLN 2 1.855 6.318 3.218 872 H TYR 3 H TYR 3 4.153 -0.052 2.150 873 HA TYR 3 HA TYR 3 6.714 0.677 0.901 874 1HB TYR 3 1HB TYR 3 5.229 -1.917 1.072 875 2HB TYR 3 2HB TYR 3 6.353 -1.633 -0.253 876 HD1 TYR 3 HD1 TYR 3 6.014 -2.572 3.191 877 HD2 TYR 3 HD2 TYR 3 8.756 -1.037 0.323 878 HE1 TYR 3 HE1 TYR 3 7.889 -3.217 4.646 879 HE2 TYR 3 HE2 TYR 3 10.639 -1.679 1.768 880 HH TYR 3 HH TYR 3 10.849 -2.056 4.454 881 H LYS 4 H LYS 4 6.807 1.396 -1.065 882 HA LYS 4 HA LYS 4 4.307 1.645 -2.606 883 1HB LYS 4 1HB LYS 4 6.674 3.392 -2.252 884 2HB LYS 4 2HB LYS 4 5.954 3.371 -3.856 885 1HG LYS 4 1HG LYS 4 3.904 4.189 -3.070 886 2HG LYS 4 2HG LYS 4 4.312 3.831 -1.390 887 1HD LYS 4 1HD LYS 4 4.726 6.070 -1.381 888 2HD LYS 4 2HD LYS 4 6.307 5.505 -1.929 889 1HE LYS 4 1HE LYS 4 5.579 5.851 -4.264 890 2HE LYS 4 2HE LYS 4 4.051 6.499 -3.668 891 1HZ LYS 4 1HZ LYS 4 5.188 8.312 -2.656 892 2HZ LYS 4 2HZ LYS 4 5.724 8.209 -4.257 893 3HZ LYS 4 3HZ LYS 4 6.706 7.645 -3.001 894 H VAL 5 H VAL 5 4.079 0.654 -4.500 895 HA VAL 5 HA VAL 5 6.448 -0.173 -6.010 896 HB VAL 5 HB VAL 5 4.208 -2.113 -5.425 897 1HG1 VAL 5 1HG1 VAL 5 6.927 -2.636 -6.610 898 2HG1 VAL 5 2HG1 VAL 5 5.483 -2.338 -7.577 899 3HG1 VAL 5 3HG1 VAL 5 5.558 -3.742 -6.513 900 1HG2 VAL 5 1HG2 VAL 5 5.959 -3.313 -4.068 901 2HG2 VAL 5 2HG2 VAL 5 5.345 -1.818 -3.362 902 3HG2 VAL 5 3HG2 VAL 5 6.922 -1.839 -4.150 903 H ILE 6 H ILE 6 6.208 0.398 -8.082 904 HA ILE 6 HA ILE 6 3.523 1.029 -9.057 905 HB ILE 6 HB ILE 6 6.171 1.602 -10.392 906 1HG1 ILE 6 1HG1 ILE 6 4.501 3.588 -8.858 907 2HG1 ILE 6 2HG1 ILE 6 5.776 2.656 -8.078 908 1HG2 ILE 6 1HG2 ILE 6 4.956 3.120 -11.776 909 2HG2 ILE 6 2HG2 ILE 6 3.484 2.893 -10.830 910 3HG2 ILE 6 3HG2 ILE 6 4.113 1.572 -11.815 911 1HD1 ILE 6 1HD1 ILE 6 5.954 4.905 -9.968 912 2HD1 ILE 6 2HD1 ILE 6 7.145 3.620 -10.165 913 3HD1 ILE 6 3HD1 ILE 6 7.001 4.461 -8.621 914 H LEU 7 H LEU 7 2.464 -0.451 -10.194 915 HA LEU 7 HA LEU 7 3.996 -2.440 -11.732 916 1HB LEU 7 1HB LEU 7 1.421 -2.518 -10.265 917 2HB LEU 7 2HB LEU 7 1.467 -3.403 -11.778 918 HG LEU 7 HG LEU 7 3.768 -4.272 -10.584 919 1HD1 LEU 7 1HD1 LEU 7 1.863 -3.423 -8.472 920 2HD1 LEU 7 2HD1 LEU 7 3.625 -3.458 -8.463 921 3HD1 LEU 7 3HD1 LEU 7 2.713 -4.953 -8.257 922 1HD2 LEU 7 1HD2 LEU 7 2.051 -5.643 -11.694 923 2HD2 LEU 7 2HD2 LEU 7 1.021 -5.488 -10.270 924 3HD2 LEU 7 3HD2 LEU 7 2.562 -6.342 -10.154 925 H ASN 8 H ASN 8 4.029 -2.205 -13.894 926 HA ASN 8 HA ASN 8 1.699 -1.219 -15.293 927 1HB ASN 8 1HB ASN 8 3.019 0.558 -16.491 928 2HB ASN 8 2HB ASN 8 2.691 0.898 -14.795 929 1HD2 ASN 8 1HD2 ASN 8 5.033 0.726 -17.170 930 2HD2 ASN 8 2HD2 ASN 8 6.435 0.811 -16.162 931 H GLY 9 H GLY 9 1.475 -2.787 -16.747 932 1HA GLY 9 1HA GLY 9 3.855 -3.976 -17.967 933 2HA GLY 9 2HA GLY 9 2.218 -4.611 -18.053 934 H LYS 10 H LYS 10 3.481 -1.381 -18.835 935 HA LYS 10 HA LYS 10 2.501 -1.782 -21.587 936 1HB LYS 10 1HB LYS 10 2.288 0.557 -19.737 937 2HB LYS 10 2HB LYS 10 2.384 0.847 -21.468 938 1HG LYS 10 1HG LYS 10 0.217 0.458 -21.648 939 2HG LYS 10 2HG LYS 10 0.469 -1.191 -21.076 940 1HD LYS 10 1HD LYS 10 -1.060 -0.384 -19.543 941 2HD LYS 10 2HD LYS 10 0.470 -0.084 -18.718 942 1HE LYS 10 1HE LYS 10 0.323 2.229 -19.933 943 2HE LYS 10 2HE LYS 10 -1.395 1.843 -20.033 944 1HZ LYS 10 1HZ LYS 10 -1.550 1.738 -17.692 945 2HZ LYS 10 2HZ LYS 10 -0.694 3.155 -18.037 946 3HZ LYS 10 3HZ LYS 10 0.129 1.782 -17.490 947 H THR 11 H THR 11 3.654 -0.692 -23.271 948 HA THR 11 HA THR 11 6.103 0.664 -22.819 949 HB THR 11 HB THR 11 6.900 -1.552 -22.198 950 HG1 THR 11 HG1 THR 11 8.659 -1.141 -23.235 951 1HG2 THR 11 1HG2 THR 11 5.865 -2.408 -24.884 952 2HG2 THR 11 2HG2 THR 11 5.422 -3.040 -23.298 953 3HG2 THR 11 3HG2 THR 11 7.038 -3.330 -23.943 954 H LEU 12 H LEU 12 6.690 1.768 -24.614 955 HA LEU 12 HA LEU 12 4.956 1.611 -26.900 956 1HB LEU 12 1HB LEU 12 7.341 3.352 -26.302 957 2HB LEU 12 2HB LEU 12 6.357 3.504 -27.743 958 HG LEU 12 HG LEU 12 4.381 3.924 -26.227 959 1HD1 LEU 12 1HD1 LEU 12 6.565 3.736 -24.219 960 2HD1 LEU 12 2HD1 LEU 12 4.888 3.199 -24.121 961 3HD1 LEU 12 3HD1 LEU 12 5.275 4.910 -23.960 962 1HD2 LEU 12 1HD2 LEU 12 6.634 5.911 -25.988 963 2HD2 LEU 12 2HD2 LEU 12 4.901 6.244 -25.935 964 3HD2 LEU 12 3HD2 LEU 12 5.648 5.693 -27.435 965 H LYS 13 H LYS 13 8.429 1.180 -26.357 966 HA LYS 13 HA LYS 13 8.553 -0.829 -28.420 967 1HB LYS 13 1HB LYS 13 9.972 1.816 -28.760 968 2HB LYS 13 2HB LYS 13 10.379 0.368 -29.669 969 1HG LYS 13 1HG LYS 13 8.063 0.325 -30.548 970 2HG LYS 13 2HG LYS 13 7.763 1.855 -29.721 971 1HD LYS 13 1HD LYS 13 9.180 3.038 -31.119 972 2HD LYS 13 2HD LYS 13 10.088 1.598 -31.583 973 1HE LYS 13 1HE LYS 13 7.256 2.236 -32.400 974 2HE LYS 13 2HE LYS 13 8.685 2.418 -33.416 975 1HZ LYS 13 1HZ LYS 13 7.356 -0.042 -32.507 976 2HZ LYS 13 2HZ LYS 13 9.007 -0.079 -32.873 977 3HZ LYS 13 3HZ LYS 13 7.888 0.378 -34.057 978 H GLY 14 H GLY 14 10.968 -1.487 -28.736 979 1HA GLY 14 1HA GLY 14 12.943 -2.226 -27.817 980 2HA GLY 14 2HA GLY 14 12.786 -0.963 -26.611 981 H GLU 15 H GLU 15 11.483 -4.154 -27.484 982 HA GLU 15 HA GLU 15 10.453 -4.695 -24.890 983 1HB GLU 15 1HB GLU 15 11.175 -6.614 -27.113 984 2HB GLU 15 2HB GLU 15 10.204 -7.005 -25.700 985 1HG GLU 15 1HG GLU 15 8.551 -5.311 -26.433 986 2HG GLU 15 2HG GLU 15 9.499 -5.081 -27.901 987 H THR 16 H THR 16 11.751 -4.793 -23.169 988 HA THR 16 HA THR 16 14.416 -5.966 -23.438 989 HB THR 16 HB THR 16 13.199 -4.555 -21.059 990 HG1 THR 16 HG1 THR 16 13.421 -3.249 -22.989 991 1HG2 THR 16 1HG2 THR 16 15.809 -4.090 -20.836 992 2HG2 THR 16 2HG2 THR 16 15.871 -5.673 -21.615 993 3HG2 THR 16 3HG2 THR 16 15.012 -5.475 -20.086 994 H THR 17 H THR 17 14.296 -8.131 -23.346 995 HA THR 17 HA THR 17 14.048 -10.219 -22.498 996 HB THR 17 HB THR 17 13.568 -8.719 -19.915 997 HG1 THR 17 HG1 THR 17 15.620 -8.403 -20.068 998 1HG2 THR 17 1HG2 THR 17 14.682 -11.052 -19.160 999 2HG2 THR 17 2HG2 THR 17 13.653 -11.597 -20.485 1000 3HG2 THR 17 3HG2 THR 17 12.950 -10.724 -19.124 1001 H THR 18 H THR 18 11.662 -8.662 -20.366 1002 HA THR 18 HA THR 18 9.449 -9.628 -21.946 1003 HB THR 18 HB THR 18 8.510 -11.027 -20.125 1004 HG1 THR 18 HG1 THR 18 9.806 -11.584 -18.399 1005 1HG2 THR 18 1HG2 THR 18 9.931 -12.017 -21.968 1006 2HG2 THR 18 2HG2 THR 18 9.758 -12.973 -20.497 1007 3HG2 THR 18 3HG2 THR 18 11.241 -12.066 -20.789 1008 H GLU 19 H GLU 19 7.345 -9.048 -20.970 1009 HA GLU 19 HA GLU 19 7.407 -7.077 -18.839 1010 1HB GLU 19 1HB GLU 19 6.742 -6.414 -21.696 1011 2HB GLU 19 2HB GLU 19 6.042 -5.497 -20.367 1012 1HG GLU 19 1HG GLU 19 8.583 -5.351 -19.631 1013 2HG GLU 19 2HG GLU 19 8.831 -5.581 -21.360 1014 H ALA 20 H ALA 20 5.831 -7.742 -17.538 1015 HA ALA 20 HA ALA 20 3.152 -8.066 -18.553 1016 1HB ALA 20 1HB ALA 20 2.798 -10.310 -18.110 1017 2HB ALA 20 2HB ALA 20 4.210 -10.433 -17.061 1018 3HB ALA 20 3HB ALA 20 4.418 -10.311 -18.809 1019 H VAL 21 H VAL 21 3.969 -6.134 -16.892 1020 HA VAL 21 HA VAL 21 3.394 -6.959 -14.146 1021 HB VAL 21 HB VAL 21 4.071 -4.183 -15.126 1022 1HG1 VAL 21 1HG1 VAL 21 3.939 -5.491 -12.429 1023 2HG1 VAL 21 2HG1 VAL 21 3.142 -4.019 -12.986 1024 3HG1 VAL 21 3HG1 VAL 21 4.883 -4.026 -12.706 1025 1HG2 VAL 21 1HG2 VAL 21 6.376 -4.749 -14.228 1026 2HG2 VAL 21 2HG2 VAL 21 5.930 -5.490 -15.763 1027 3HG2 VAL 21 3HG2 VAL 21 5.872 -6.437 -14.278 1028 H ASP 22 H ASP 22 1.199 -7.417 -14.263 1029 HA ASP 22 HA ASP 22 -0.619 -5.275 -15.101 1030 1HB ASP 22 1HB ASP 22 -0.883 -7.617 -15.971 1031 2HB ASP 22 2HB ASP 22 -1.284 -8.117 -14.331 1032 H ALA 23 H ALA 23 -1.967 -4.246 -13.782 1033 HA ALA 23 HA ALA 23 -1.495 -3.820 -11.142 1034 1HB ALA 23 1HB ALA 23 -4.317 -3.626 -11.583 1035 2HB ALA 23 2HB ALA 23 -3.444 -3.111 -13.029 1036 3HB ALA 23 3HB ALA 23 -3.110 -2.341 -11.476 1037 H ALA 24 H ALA 24 -3.721 -6.242 -12.478 1038 HA ALA 24 HA ALA 24 -4.689 -7.191 -9.992 1039 1HB ALA 24 1HB ALA 24 -5.843 -7.536 -12.147 1040 2HB ALA 24 2HB ALA 24 -5.614 -9.035 -11.245 1041 3HB ALA 24 3HB ALA 24 -4.573 -8.665 -12.620 1042 H THR 25 H THR 25 -1.785 -7.812 -11.783 1043 HA THR 25 HA THR 25 -1.087 -10.344 -10.795 1044 HB THR 25 HB THR 25 0.685 -8.023 -11.594 1045 HG1 THR 25 HG1 THR 25 -0.300 -10.236 -13.061 1046 1HG2 THR 25 1HG2 THR 25 2.028 -10.279 -12.292 1047 2HG2 THR 25 2HG2 THR 25 1.381 -10.696 -10.703 1048 3HG2 THR 25 3HG2 THR 25 2.381 -9.252 -10.900 1049 H PHE 26 H PHE 26 -0.599 -7.112 -9.523 1050 HA PHE 26 HA PHE 26 0.988 -7.901 -7.290 1051 1HB PHE 26 1HB PHE 26 0.815 -5.553 -8.270 1052 2HB PHE 26 2HB PHE 26 -0.722 -5.421 -7.420 1053 HD1 PHE 26 HD1 PHE 26 2.794 -6.457 -6.712 1054 HD2 PHE 26 HD2 PHE 26 -0.692 -4.425 -5.356 1055 HE1 PHE 26 HE1 PHE 26 3.983 -5.792 -4.663 1056 HE2 PHE 26 HE2 PHE 26 0.493 -3.755 -3.305 1057 HZ PHE 26 HZ PHE 26 2.833 -4.440 -2.958 1058 H GLU 27 H GLU 27 -2.445 -7.139 -7.708 1059 HA GLU 27 HA GLU 27 -3.293 -7.409 -5.088 1060 1HB GLU 27 1HB GLU 27 -4.765 -8.096 -7.634 1061 2HB GLU 27 2HB GLU 27 -5.523 -7.933 -6.056 1062 1HG GLU 27 1HG GLU 27 -5.081 -5.626 -5.964 1063 2HG GLU 27 2HG GLU 27 -3.944 -5.712 -7.309 1064 H LYS 28 H LYS 28 -3.280 -9.953 -7.596 1065 HA LYS 28 HA LYS 28 -4.209 -11.981 -5.873 1066 1HB LYS 28 1HB LYS 28 -4.287 -11.981 -8.391 1067 2HB LYS 28 2HB LYS 28 -2.576 -12.387 -8.375 1068 1HG LYS 28 1HG LYS 28 -3.109 -14.425 -7.085 1069 2HG LYS 28 2HG LYS 28 -4.822 -14.030 -7.227 1070 1HD LYS 28 1HD LYS 28 -3.056 -14.295 -9.642 1071 2HD LYS 28 2HD LYS 28 -3.841 -15.695 -8.908 1072 1HE LYS 28 1HE LYS 28 -6.015 -14.410 -9.128 1073 2HE LYS 28 2HE LYS 28 -5.130 -13.274 -10.144 1074 1HZ LYS 28 1HZ LYS 28 -6.398 -15.293 -11.177 1075 2HZ LYS 28 2HZ LYS 28 -4.982 -16.130 -10.785 1076 3HZ LYS 28 3HZ LYS 28 -4.914 -14.792 -11.815 1077 H VAL 29 H VAL 29 -0.888 -11.234 -6.991 1078 HA VAL 29 HA VAL 29 0.344 -13.372 -5.645 1079 HB VAL 29 HB VAL 29 1.547 -10.708 -6.416 1080 1HG1 VAL 29 1HG1 VAL 29 3.694 -11.890 -6.380 1081 2HG1 VAL 29 2HG1 VAL 29 2.886 -13.345 -5.797 1082 3HG1 VAL 29 3HG1 VAL 29 2.931 -11.896 -4.788 1083 1HG2 VAL 29 1HG2 VAL 29 1.836 -11.467 -8.527 1084 2HG2 VAL 29 2HG2 VAL 29 0.423 -12.443 -8.126 1085 3HG2 VAL 29 3HG2 VAL 29 2.040 -13.143 -8.015 1086 H VAL 30 H VAL 30 -0.261 -10.026 -4.639 1087 HA VAL 30 HA VAL 30 1.193 -10.256 -2.208 1088 HB VAL 30 HB VAL 30 -0.954 -8.257 -2.943 1089 1HG1 VAL 30 1HG1 VAL 30 1.038 -8.317 -0.683 1090 2HG1 VAL 30 2HG1 VAL 30 -0.720 -8.199 -0.580 1091 3HG1 VAL 30 3HG1 VAL 30 0.220 -6.845 -1.210 1092 1HG2 VAL 30 1HG2 VAL 30 1.305 -8.533 -4.283 1093 2HG2 VAL 30 2HG2 VAL 30 1.949 -7.617 -2.922 1094 3HG2 VAL 30 3HG2 VAL 30 0.651 -6.942 -3.903 1095 H LYS 31 H LYS 31 -2.308 -10.485 -2.930 1096 HA LYS 31 HA LYS 31 -3.100 -10.858 -0.258 1097 1HB LYS 31 1HB LYS 31 -4.672 -10.263 -2.043 1098 2HB LYS 31 2HB LYS 31 -4.403 -11.817 -2.812 1099 1HG LYS 31 1HG LYS 31 -5.207 -12.781 -0.532 1100 2HG LYS 31 2HG LYS 31 -5.911 -11.175 -0.323 1101 1HD LYS 31 1HD LYS 31 -6.930 -11.519 -2.645 1102 2HD LYS 31 2HD LYS 31 -6.500 -13.219 -2.445 1103 1HE LYS 31 1HE LYS 31 -7.847 -13.353 -0.436 1104 2HE LYS 31 2HE LYS 31 -8.214 -11.631 -0.536 1105 1HZ LYS 31 1HZ LYS 31 -9.107 -13.788 -2.359 1106 2HZ LYS 31 2HZ LYS 31 -9.233 -12.151 -2.761 1107 3HZ LYS 31 3HZ LYS 31 -10.063 -12.758 -1.418 1108 H GLN 32 H GLN 32 -2.271 -13.147 -2.828 1109 HA GLN 32 HA GLN 32 -2.806 -15.492 -1.365 1110 1HB GLN 32 1HB GLN 32 -2.519 -15.409 -3.828 1111 2HB GLN 32 2HB GLN 32 -0.802 -15.107 -3.597 1112 1HG GLN 32 1HG GLN 32 -0.884 -17.374 -4.027 1113 2HG GLN 32 2HG GLN 32 -0.810 -17.306 -2.265 1114 1HE2 GLN 32 1HE2 GLN 32 -2.019 -18.844 -1.439 1115 2HE2 GLN 32 2HE2 GLN 32 -3.594 -19.308 -1.977 1116 H PHE 33 H PHE 33 0.217 -13.635 -1.816 1117 HA PHE 33 HA PHE 33 1.804 -15.394 -0.279 1118 1HB PHE 33 1HB PHE 33 3.025 -14.134 -1.775 1119 2HB PHE 33 2HB PHE 33 2.105 -12.675 -1.468 1120 HD1 PHE 33 HD1 PHE 33 4.280 -14.935 0.596 1121 HD2 PHE 33 HD2 PHE 33 3.347 -10.986 -0.680 1122 HE1 PHE 33 HE1 PHE 33 6.114 -14.052 1.988 1123 HE2 PHE 33 HE2 PHE 33 5.165 -10.095 0.714 1124 HZ PHE 33 HZ PHE 33 6.549 -11.622 2.053 1125 H PHE 34 H PHE 34 0.188 -12.322 0.526 1126 HA PHE 34 HA PHE 34 1.148 -12.394 3.214 1127 1HB PHE 34 1HB PHE 34 -0.680 -10.586 1.704 1128 2HB PHE 34 2HB PHE 34 -0.649 -10.507 3.468 1129 HD1 PHE 34 HD1 PHE 34 1.394 -10.147 0.416 1130 HD2 PHE 34 HD2 PHE 34 1.199 -9.585 4.631 1131 HE1 PHE 34 HE1 PHE 34 3.486 -8.855 0.339 1132 HE2 PHE 34 HE2 PHE 34 3.287 -8.290 4.559 1133 HZ PHE 34 HZ PHE 34 4.441 -7.935 2.415 1134 H ASN 35 H ASN 35 -1.813 -13.498 1.672 1135 HA ASN 35 HA ASN 35 -3.419 -13.764 3.941 1136 1HB ASN 35 1HB ASN 35 -3.305 -15.221 1.328 1137 2HB ASN 35 2HB ASN 35 -4.343 -15.839 2.609 1138 1HD2 ASN 35 1HD2 ASN 35 -3.756 -12.398 2.209 1139 2HD2 ASN 35 2HD2 ASN 35 -5.340 -12.012 1.645 1140 H ASP 36 H ASP 36 -0.735 -15.678 2.850 1141 HA ASP 36 HA ASP 36 -1.133 -17.994 4.381 1142 1HB ASP 36 1HB ASP 36 1.372 -16.715 3.294 1143 2HB ASP 36 2HB ASP 36 1.366 -18.275 4.110 1144 H ASN 37 H ASN 37 -0.256 -14.840 5.378 1145 HA ASN 37 HA ASN 37 0.841 -15.883 7.905 1146 1HB ASN 37 1HB ASN 37 1.798 -13.678 8.294 1147 2HB ASN 37 2HB ASN 37 2.306 -14.304 6.730 1148 1HD2 ASN 37 1HD2 ASN 37 2.308 -12.860 5.197 1149 2HD2 ASN 37 2HD2 ASN 37 1.249 -11.503 5.061 1150 H GLY 38 H GLY 38 -1.902 -14.250 6.574 1151 1HA GLY 38 1HA GLY 38 -3.823 -14.501 8.207 1152 2HA GLY 38 2HA GLY 38 -2.807 -13.598 9.310 1153 H VAL 39 H VAL 39 -2.579 -12.521 6.059 1154 HA VAL 39 HA VAL 39 -4.034 -10.106 6.789 1155 HB VAL 39 HB VAL 39 -2.555 -10.665 4.214 1156 1HG1 VAL 39 1HG1 VAL 39 -3.936 -8.831 3.820 1157 2HG1 VAL 39 2HG1 VAL 39 -2.412 -8.090 4.303 1158 3HG1 VAL 39 3HG1 VAL 39 -3.740 -8.207 5.456 1159 1HG2 VAL 39 1HG2 VAL 39 -0.987 -8.937 5.649 1160 2HG2 VAL 39 2HG2 VAL 39 -0.714 -10.671 5.490 1161 3HG2 VAL 39 3HG2 VAL 39 -1.571 -10.040 6.895 1162 H ASP 40 H ASP 40 -5.853 -9.340 5.748 1163 HA ASP 40 HA ASP 40 -6.982 -10.761 3.504 1164 1HB ASP 40 1HB ASP 40 -8.285 -10.865 6.229 1165 2HB ASP 40 2HB ASP 40 -9.142 -11.215 4.732 1166 H GLY 41 H GLY 41 -9.419 -9.867 3.283 1167 1HA GLY 41 1HA GLY 41 -10.746 -7.818 3.739 1168 2HA GLY 41 2HA GLY 41 -9.232 -6.935 3.634 1169 H GLU 42 H GLU 42 -9.821 -5.608 1.938 1170 HA GLU 42 HA GLU 42 -9.797 -6.884 -0.677 1171 1HB GLU 42 1HB GLU 42 -12.075 -5.200 0.344 1172 2HB GLU 42 2HB GLU 42 -11.747 -5.372 -1.376 1173 1HG GLU 42 1HG GLU 42 -11.827 -7.918 -0.858 1174 2HG GLU 42 2HG GLU 42 -12.703 -7.405 0.583 1175 H TRP 43 H TRP 43 -9.349 -5.407 -2.416 1176 HA TRP 43 HA TRP 43 -7.501 -3.365 -1.659 1177 1HB TRP 43 1HB TRP 43 -8.557 -4.331 -4.306 1178 2HB TRP 43 2HB TRP 43 -7.477 -2.944 -4.192 1179 HD1 TRP 43 HD1 TRP 43 -7.505 -6.717 -4.092 1180 HE1 TRP 43 HE1 TRP 43 -5.090 -7.585 -3.898 1181 HE3 TRP 43 HE3 TRP 43 -5.125 -2.293 -3.142 1182 HZ2 TRP 43 HZ2 TRP 43 -2.516 -6.534 -3.404 1183 HZ3 TRP 43 HZ3 TRP 43 -2.686 -2.310 -2.821 1184 HH2 TRP 43 HH2 TRP 43 -1.409 -4.388 -2.949 1185 H THR 44 H THR 44 -7.999 -1.408 -1.055 1186 HA THR 44 HA THR 44 -10.463 -0.181 -2.093 1187 HB THR 44 HB THR 44 -10.437 1.232 -0.088 1188 HG1 THR 44 HG1 THR 44 -8.638 1.429 0.937 1189 1HG2 THR 44 1HG2 THR 44 -10.940 -0.396 1.606 1190 2HG2 THR 44 2HG2 THR 44 -10.118 -1.655 0.688 1191 3HG2 THR 44 3HG2 THR 44 -11.595 -0.931 0.060 1192 H TYR 45 H TYR 45 -10.388 1.762 -3.048 1193 HA TYR 45 HA TYR 45 -7.903 2.650 -4.121 1194 1HB TYR 45 1HB TYR 45 -10.730 3.650 -4.265 1195 2HB TYR 45 2HB TYR 45 -9.408 4.630 -4.895 1196 HD1 TYR 45 HD1 TYR 45 -11.541 1.770 -5.465 1197 HD2 TYR 45 HD2 TYR 45 -7.990 3.731 -6.747 1198 HE1 TYR 45 HE1 TYR 45 -11.595 0.485 -7.561 1199 HE2 TYR 45 HE2 TYR 45 -8.035 2.453 -8.847 1200 HH TYR 45 HH TYR 45 -9.605 -0.240 -9.327 1201 H ASP 46 H ASP 46 -6.698 4.460 -3.656 1202 HA ASP 46 HA ASP 46 -6.752 5.362 -0.956 1203 1HB ASP 46 1HB ASP 46 -5.115 6.055 -3.378 1204 2HB ASP 46 2HB ASP 46 -4.976 7.012 -1.908 1205 H ASP 47 H ASP 47 -6.908 7.601 -0.264 1206 HA ASP 47 HA ASP 47 -9.238 8.876 -1.233 1207 1HB ASP 47 1HB ASP 47 -8.555 10.732 0.328 1208 2HB ASP 47 2HB ASP 47 -8.661 9.142 1.078 1209 H ALA 48 H ALA 48 -9.536 10.455 -2.696 1210 HA ALA 48 HA ALA 48 -7.651 11.042 -4.639 1211 1HB ALA 48 1HB ALA 48 -9.191 12.930 -5.252 1212 2HB ALA 48 2HB ALA 48 -10.143 12.520 -3.826 1213 3HB ALA 48 3HB ALA 48 -9.951 11.343 -5.127 1214 H THR 49 H THR 49 -6.245 12.678 -5.032 1215 HA THR 49 HA THR 49 -5.934 14.795 -3.026 1216 HB THR 49 HB THR 49 -3.640 13.135 -4.093 1217 HG1 THR 49 HG1 THR 49 -4.055 11.857 -2.506 1218 1HG2 THR 49 1HG2 THR 49 -2.343 14.244 -2.305 1219 2HG2 THR 49 2HG2 THR 49 -3.715 15.318 -2.028 1220 3HG2 THR 49 3HG2 THR 49 -2.875 15.341 -3.580 1221 H LYS 50 H LYS 50 -4.715 16.648 -3.814 1222 HA LYS 50 HA LYS 50 -4.606 16.792 -6.756 1223 1HB LYS 50 1HB LYS 50 -5.603 18.902 -4.838 1224 2HB LYS 50 2HB LYS 50 -5.331 19.170 -6.554 1225 1HG LYS 50 1HG LYS 50 -7.051 17.614 -7.137 1226 2HG LYS 50 2HG LYS 50 -7.235 17.115 -5.453 1227 1HD LYS 50 1HD LYS 50 -7.871 19.494 -4.932 1228 2HD LYS 50 2HD LYS 50 -7.918 19.785 -6.671 1229 1HE LYS 50 1HE LYS 50 -9.768 18.442 -6.981 1230 2HE LYS 50 2HE LYS 50 -9.457 17.501 -5.523 1231 1HZ LYS 50 1HZ LYS 50 -11.370 18.962 -5.265 1232 2HZ LYS 50 2HZ LYS 50 -10.406 20.315 -5.581 1233 3HZ LYS 50 3HZ LYS 50 -10.135 19.390 -4.191 1234 H THR 51 H THR 51 -2.706 17.355 -7.543 1235 HA THR 51 HA THR 51 -0.765 18.669 -5.763 1236 HB THR 51 HB THR 51 -0.397 16.741 -8.063 1237 HG1 THR 51 HG1 THR 51 0.430 16.685 -5.351 1238 1HG2 THR 51 1HG2 THR 51 2.022 16.887 -7.697 1239 2HG2 THR 51 2HG2 THR 51 1.769 18.263 -6.624 1240 3HG2 THR 51 3HG2 THR 51 1.356 18.390 -8.333 1241 H PHE 52 H PHE 52 0.126 20.586 -6.348 1242 HA PHE 52 HA PHE 52 -1.021 21.969 -8.608 1243 1HB PHE 52 1HB PHE 52 -0.572 23.022 -6.340 1244 2HB PHE 52 2HB PHE 52 1.137 22.997 -6.763 1245 HD1 PHE 52 HD1 PHE 52 -2.157 24.344 -7.765 1246 HD2 PHE 52 HD2 PHE 52 2.070 24.643 -8.149 1247 HE1 PHE 52 HE1 PHE 52 -2.421 26.486 -8.946 1248 HE2 PHE 52 HE2 PHE 52 1.815 26.787 -9.330 1249 HZ PHE 52 HZ PHE 52 -0.433 27.711 -9.730 1250 H THR 53 H THR 53 -0.200 21.884 -10.592 1251 HA THR 53 HA THR 53 2.576 21.061 -10.964 1252 HB THR 53 HB THR 53 0.348 21.480 -12.971 1253 HG1 THR 53 HG1 THR 53 1.466 19.174 -11.776 1254 1HG2 THR 53 1HG2 THR 53 3.131 20.417 -13.354 1255 2HG2 THR 53 2HG2 THR 53 2.373 21.786 -14.166 1256 3HG2 THR 53 3HG2 THR 53 1.813 20.147 -14.491 1257 H VAL 54 H VAL 54 4.142 22.500 -11.259 1258 HA VAL 54 HA VAL 54 3.586 25.287 -11.462 1259 HB VAL 54 HB VAL 54 6.273 24.036 -11.988 1260 1HG1 VAL 54 1HG1 VAL 54 6.971 26.184 -10.789 1261 2HG1 VAL 54 2HG1 VAL 54 5.313 26.721 -11.059 1262 3HG1 VAL 54 3HG1 VAL 54 6.348 26.330 -12.432 1263 1HG2 VAL 54 1HG2 VAL 54 4.805 24.350 -9.403 1264 2HG2 VAL 54 2HG2 VAL 54 6.560 24.513 -9.442 1265 3HG2 VAL 54 3HG2 VAL 54 5.802 23.010 -9.970 1266 H THR 55 H THR 55 4.306 26.714 -13.146 1267 HA THR 55 HA THR 55 4.851 25.572 -15.753 1268 HB THR 55 HB THR 55 2.389 27.257 -15.258 1269 HG1 THR 55 HG1 THR 55 1.293 25.385 -15.894 1270 1HG2 THR 55 1HG2 THR 55 3.622 26.245 -17.792 1271 2HG2 THR 55 2HG2 THR 55 3.085 27.878 -17.396 1272 3HG2 THR 55 3HG2 THR 55 1.900 26.600 -17.667 1273 H GLU 56 H GLU 56 3.594 28.693 -14.635 1274 HA GLU 56 HA GLU 56 4.397 30.814 -14.804 1275 1HB GLU 56 1HB GLU 56 7.144 29.567 -14.809 1276 2HB GLU 56 2HB GLU 56 6.702 31.185 -14.281 1277 1HG GLU 56 1HG GLU 56 5.530 30.308 -12.383 1278 2HG GLU 56 2HG GLU 56 5.767 28.656 -12.949 1279 1H MET 1 1H MET 1 1.297 2.391 -12.385 1280 2H MET 1 2H MET 1 -0.010 1.519 -13.077 1281 3H MET 1 3H MET 1 1.118 0.717 -12.063 1282 HA MET 1 HA MET 1 -0.594 2.932 -11.179 1283 1HB MET 1 1HB MET 1 -1.072 0.002 -11.438 1284 2HB MET 1 2HB MET 1 -1.693 0.806 -10.003 1285 1HG MET 1 1HG MET 1 -2.291 2.182 -12.517 1286 2HG MET 1 2HG MET 1 -3.009 0.581 -12.368 1287 1HE MET 1 1HE MET 1 -3.595 3.613 -8.959 1288 2HE MET 1 2HE MET 1 -2.515 3.975 -10.303 1289 3HE MET 1 3HE MET 1 -2.165 2.620 -9.233 1290 H GLN 2 H GLN 2 -0.340 3.454 -9.069 1291 HA GLN 2 HA GLN 2 2.021 2.376 -7.743 1292 1HB GLN 2 1HB GLN 2 1.390 4.883 -7.951 1293 2HB GLN 2 2HB GLN 2 0.266 4.552 -6.638 1294 1HG GLN 2 1HG GLN 2 1.984 4.061 -5.135 1295 2HG GLN 2 2HG GLN 2 3.170 3.853 -6.421 1296 1HE2 GLN 2 1HE2 GLN 2 0.932 6.343 -5.235 1297 2HE2 GLN 2 2HE2 GLN 2 2.056 7.651 -5.353 1298 H TYR 3 H TYR 3 1.918 0.847 -6.238 1299 HA TYR 3 HA TYR 3 -0.679 0.350 -4.953 1300 1HB TYR 3 1HB TYR 3 1.532 -1.484 -5.794 1301 2HB TYR 3 2HB TYR 3 0.441 -1.961 -4.496 1302 HD1 TYR 3 HD1 TYR 3 0.888 -1.710 -8.046 1303 HD2 TYR 3 HD2 TYR 3 -2.050 -2.013 -4.985 1304 HE1 TYR 3 HE1 TYR 3 -0.759 -2.463 -9.709 1305 HE2 TYR 3 HE2 TYR 3 -3.705 -2.769 -6.638 1306 HH TYR 3 HH TYR 3 -3.896 -2.386 -9.357 1307 H LYS 4 H LYS 4 -0.898 0.416 -2.870 1308 HA LYS 4 HA LYS 4 1.472 0.972 -1.209 1309 1HB LYS 4 1HB LYS 4 -1.337 1.921 -1.155 1310 2HB LYS 4 2HB LYS 4 -0.571 1.664 0.408 1311 1HG LYS 4 1HG LYS 4 1.080 3.271 -0.010 1312 2HG LYS 4 2HG LYS 4 0.733 3.300 -1.739 1313 1HD LYS 4 1HD LYS 4 -0.361 5.202 -1.130 1314 2HD LYS 4 2HD LYS 4 -1.661 4.041 -0.845 1315 1HE LYS 4 1HE LYS 4 -0.975 3.915 1.525 1316 2HE LYS 4 2HE LYS 4 0.248 5.145 1.214 1317 1HZ LYS 4 1HZ LYS 4 -1.439 6.727 0.705 1318 2HZ LYS 4 2HZ LYS 4 -1.846 6.010 2.184 1319 3HZ LYS 4 3HZ LYS 4 -2.658 5.554 0.770 1320 H VAL 5 H VAL 5 2.083 -0.398 0.330 1321 HA VAL 5 HA VAL 5 0.164 -2.322 1.422 1322 HB VAL 5 HB VAL 5 2.871 -3.205 0.417 1323 1HG1 VAL 5 1HG1 VAL 5 0.511 -4.875 1.258 1324 2HG1 VAL 5 2HG1 VAL 5 1.824 -4.426 2.346 1325 3HG1 VAL 5 3HG1 VAL 5 2.156 -5.415 0.926 1326 1HG2 VAL 5 1HG2 VAL 5 1.506 -4.460 -1.304 1327 2HG2 VAL 5 2HG2 VAL 5 1.630 -2.717 -1.537 1328 3HG2 VAL 5 3HG2 VAL 5 0.157 -3.413 -0.865 1329 H ILE 6 H ILE 6 0.307 -2.315 3.579 1330 HA ILE 6 HA ILE 6 2.705 -1.190 4.816 1331 HB ILE 6 HB ILE 6 0.079 -1.879 6.138 1332 1HG1 ILE 6 1HG1 ILE 6 0.969 0.880 5.321 1333 2HG1 ILE 6 2HG1 ILE 6 0.018 -0.138 4.244 1334 1HG2 ILE 6 1HG2 ILE 6 0.827 -0.516 7.952 1335 2HG2 ILE 6 2HG2 ILE 6 2.254 -0.004 7.049 1336 3HG2 ILE 6 3HG2 ILE 6 2.104 -1.677 7.589 1337 1HD1 ILE 6 1HD1 ILE 6 -0.769 1.278 6.709 1338 2HD1 ILE 6 2HD1 ILE 6 -1.503 -0.303 6.428 1339 3HD1 ILE 6 3HD1 ILE 6 -1.677 0.977 5.226 1340 H LEU 7 H LEU 7 4.229 -2.528 5.519 1341 HA LEU 7 HA LEU 7 3.465 -5.250 6.328 1342 1HB LEU 7 1HB LEU 7 5.875 -4.089 5.060 1343 2HB LEU 7 2HB LEU 7 6.172 -5.336 6.256 1344 HG LEU 7 HG LEU 7 4.219 -6.506 4.746 1345 1HD1 LEU 7 1HD1 LEU 7 5.665 -4.541 3.055 1346 2HD1 LEU 7 2HD1 LEU 7 3.999 -5.109 2.961 1347 3HD1 LEU 7 3HD1 LEU 7 5.313 -6.130 2.376 1348 1HD2 LEU 7 1HD2 LEU 7 6.336 -7.517 5.500 1349 2HD2 LEU 7 2HD2 LEU 7 7.187 -6.657 4.221 1350 3HD2 LEU 7 3HD2 LEU 7 5.987 -7.881 3.811 1351 H ASN 8 H ASN 8 3.404 -5.687 8.421 1352 HA ASN 8 HA ASN 8 5.319 -4.647 10.272 1353 1HB ASN 8 1HB ASN 8 3.685 -3.532 11.755 1354 2HB ASN 8 2HB ASN 8 3.817 -2.720 10.198 1355 1HD2 ASN 8 1HD2 ASN 8 1.762 -4.270 12.405 1356 2HD2 ASN 8 2HD2 ASN 8 0.320 -4.229 11.459 1357 H GLY 9 H GLY 9 2.157 -6.175 9.853 1358 1HA GLY 9 1HA GLY 9 1.579 -8.352 10.506 1359 2HA GLY 9 2HA GLY 9 3.040 -8.424 11.481 1360 H LYS 10 H LYS 10 2.605 -8.619 13.564 1361 HA LYS 10 HA LYS 10 1.602 -8.439 15.597 1362 1HB LYS 10 1HB LYS 10 2.177 -5.990 15.023 1363 2HB LYS 10 2HB LYS 10 0.460 -5.803 14.704 1364 1HG LYS 10 1HG LYS 10 -0.111 -6.265 16.944 1365 2HG LYS 10 2HG LYS 10 1.507 -6.869 17.309 1366 1HD LYS 10 1HD LYS 10 2.396 -4.589 16.899 1367 2HD LYS 10 2HD LYS 10 0.739 -4.021 16.680 1368 1HE LYS 10 1HE LYS 10 1.037 -3.525 18.892 1369 2HE LYS 10 2HE LYS 10 0.395 -5.162 19.028 1370 1HZ LYS 10 1HZ LYS 10 3.217 -4.288 19.260 1371 2HZ LYS 10 2HZ LYS 10 2.784 -5.910 19.054 1372 3HZ LYS 10 3HZ LYS 10 2.266 -5.066 20.426 1373 H THR 11 H THR 11 0.134 -10.131 15.290 1374 HA THR 11 HA THR 11 -2.616 -9.374 15.470 1375 HB THR 11 HB THR 11 -2.460 -9.262 13.066 1376 HG1 THR 11 HG1 THR 11 -4.199 -10.414 12.766 1377 1HG2 THR 11 1HG2 THR 11 -1.315 -12.040 13.177 1378 2HG2 THR 11 2HG2 THR 11 -0.499 -10.577 12.624 1379 3HG2 THR 11 3HG2 THR 11 -1.862 -11.225 11.713 1380 H LEU 12 H LEU 12 -4.033 -11.438 15.495 1381 HA LEU 12 HA LEU 12 -4.550 -13.378 16.561 1382 1HB LEU 12 1HB LEU 12 -2.869 -14.111 14.696 1383 2HB LEU 12 2HB LEU 12 -1.785 -14.399 16.044 1384 HG LEU 12 HG LEU 12 -3.717 -15.830 17.008 1385 1HD1 LEU 12 1HD1 LEU 12 -5.326 -16.664 15.546 1386 2HD1 LEU 12 2HD1 LEU 12 -4.463 -16.089 14.118 1387 3HD1 LEU 12 3HD1 LEU 12 -5.279 -14.940 15.177 1388 1HD2 LEU 12 1HD2 LEU 12 -1.880 -17.076 16.490 1389 2HD2 LEU 12 2HD2 LEU 12 -1.802 -16.478 14.833 1390 3HD2 LEU 12 3HD2 LEU 12 -2.998 -17.695 15.276 1391 H LYS 13 H LYS 13 -4.803 -12.981 18.674 1392 HA LYS 13 HA LYS 13 -2.708 -12.234 20.428 1393 1HB LYS 13 1HB LYS 13 -5.508 -13.237 20.936 1394 2HB LYS 13 2HB LYS 13 -4.425 -12.720 22.220 1395 1HG LYS 13 1HG LYS 13 -4.294 -10.494 21.200 1396 2HG LYS 13 2HG LYS 13 -5.410 -11.019 19.939 1397 1HD LYS 13 1HD LYS 13 -7.193 -11.231 21.459 1398 2HD LYS 13 2HD LYS 13 -6.115 -11.181 22.855 1399 1HE LYS 13 1HE LYS 13 -5.819 -8.895 22.713 1400 2HE LYS 13 2HE LYS 13 -6.233 -8.846 20.999 1401 1HZ LYS 13 1HZ LYS 13 -8.548 -9.399 21.666 1402 2HZ LYS 13 2HZ LYS 13 -8.017 -7.891 22.215 1403 3HZ LYS 13 3HZ LYS 13 -8.092 -9.199 23.282 1404 H GLY 14 H GLY 14 -1.046 -13.630 20.635 1405 1HA GLY 14 1HA GLY 14 -1.348 -15.916 22.271 1406 2HA GLY 14 2HA GLY 14 -1.166 -16.416 20.598 1407 H GLU 15 H GLU 15 0.832 -16.572 19.774 1408 HA GLU 15 HA GLU 15 3.038 -15.280 21.230 1409 1HB GLU 15 1HB GLU 15 4.412 -17.323 20.712 1410 2HB GLU 15 2HB GLU 15 3.135 -17.569 21.895 1411 1HG GLU 15 1HG GLU 15 1.838 -18.809 20.428 1412 2HG GLU 15 2HG GLU 15 2.670 -18.180 19.007 1413 H THR 16 H THR 16 4.853 -14.700 19.983 1414 HA THR 16 HA THR 16 4.296 -14.536 17.096 1415 HB THR 16 HB THR 16 6.315 -12.790 18.444 1416 HG1 THR 16 HG1 THR 16 4.808 -11.486 19.260 1417 1HG2 THR 16 1HG2 THR 16 4.336 -11.784 16.492 1418 2HG2 THR 16 2HG2 THR 16 5.591 -12.871 15.896 1419 3HG2 THR 16 3HG2 THR 16 6.038 -11.370 16.708 1420 H THR 17 H THR 17 7.132 -14.561 19.264 1421 HA THR 17 HA THR 17 9.112 -15.669 19.176 1422 HB THR 17 HB THR 17 7.916 -17.437 17.041 1423 HG1 THR 17 HG1 THR 17 6.638 -18.199 18.494 1424 1HG2 THR 17 1HG2 THR 17 9.678 -18.751 17.289 1425 2HG2 THR 17 2HG2 THR 17 9.530 -18.723 19.048 1426 3HG2 THR 17 3HG2 THR 17 10.432 -17.454 18.217 1427 H THR 18 H THR 18 7.997 -15.901 15.792 1428 HA THR 18 HA THR 18 10.412 -14.405 15.007 1429 HB THR 18 HB THR 18 10.399 -16.731 14.205 1430 HG1 THR 18 HG1 THR 18 11.420 -15.757 12.658 1431 1HG2 THR 18 1HG2 THR 18 8.468 -16.541 12.128 1432 2HG2 THR 18 2HG2 THR 18 7.671 -16.268 13.678 1433 3HG2 THR 18 3HG2 THR 18 8.604 -17.740 13.413 1434 H GLU 19 H GLU 19 10.225 -12.720 13.561 1435 HA GLU 19 HA GLU 19 7.803 -11.292 13.540 1436 1HB GLU 19 1HB GLU 19 10.428 -11.004 12.141 1437 2HB GLU 19 2HB GLU 19 9.069 -10.027 11.606 1438 1HG GLU 19 1HG GLU 19 10.019 -8.618 13.122 1439 2HG GLU 19 2HG GLU 19 8.866 -9.465 14.155 1440 H ALA 20 H ALA 20 6.047 -11.546 12.344 1441 HA ALA 20 HA ALA 20 5.969 -13.436 10.196 1442 1HB ALA 20 1HB ALA 20 4.118 -12.495 11.959 1443 2HB ALA 20 2HB ALA 20 3.746 -13.414 10.501 1444 3HB ALA 20 3HB ALA 20 3.662 -11.652 10.478 1445 H VAL 21 H VAL 21 4.899 -10.058 10.241 1446 HA VAL 21 HA VAL 21 5.571 -9.835 7.402 1447 HB VAL 21 HB VAL 21 4.108 -7.814 9.099 1448 1HG1 VAL 21 1HG1 VAL 21 4.524 -8.190 6.153 1449 2HG1 VAL 21 2HG1 VAL 21 4.840 -6.765 7.145 1450 3HG1 VAL 21 3HG1 VAL 21 3.179 -7.239 6.786 1451 1HG2 VAL 21 1HG2 VAL 21 2.051 -8.780 7.978 1452 2HG2 VAL 21 2HG2 VAL 21 2.780 -9.763 9.248 1453 3HG2 VAL 21 3HG2 VAL 21 3.052 -10.170 7.552 1454 H ASP 22 H ASP 22 7.799 -9.589 7.479 1455 HA ASP 22 HA ASP 22 8.894 -7.329 8.996 1456 1HB ASP 22 1HB ASP 22 9.918 -9.618 9.169 1457 2HB ASP 22 2HB ASP 22 10.378 -9.476 7.475 1458 H ALA 23 H ALA 23 9.794 -5.598 8.091 1459 HA ALA 23 HA ALA 23 9.087 -4.601 5.664 1460 1HB ALA 23 1HB ALA 23 11.726 -3.674 6.278 1461 2HB ALA 23 2HB ALA 23 10.800 -3.890 7.765 1462 3HB ALA 23 3HB ALA 23 10.175 -2.854 6.480 1463 H ALA 24 H ALA 24 12.024 -6.478 6.350 1464 HA ALA 24 HA ALA 24 13.118 -6.321 3.745 1465 1HB ALA 24 1HB ALA 24 14.430 -6.890 5.752 1466 2HB ALA 24 2HB ALA 24 14.626 -8.073 4.459 1467 3HB ALA 24 3HB ALA 24 13.594 -8.438 5.839 1468 H THR 25 H THR 25 10.641 -8.306 5.143 1469 HA THR 25 HA THR 25 10.727 -10.533 3.438 1470 HB THR 25 HB THR 25 8.357 -9.220 4.787 1471 HG1 THR 25 HG1 THR 25 10.052 -11.337 5.599 1472 1HG2 THR 25 1HG2 THR 25 7.824 -11.882 4.744 1473 2HG2 THR 25 2HG2 THR 25 8.493 -11.600 3.134 1474 3HG2 THR 25 3HG2 THR 25 7.101 -10.663 3.690 1475 H PHE 26 H PHE 26 9.197 -7.393 3.125 1476 HA PHE 26 HA PHE 26 7.828 -7.968 0.690 1477 1HB PHE 26 1HB PHE 26 7.302 -6.067 2.306 1478 2HB PHE 26 2HB PHE 26 8.679 -5.221 1.603 1479 HD1 PHE 26 HD1 PHE 26 5.632 -7.058 0.470 1480 HD2 PHE 26 HD2 PHE 26 8.243 -3.746 -0.095 1481 HE1 PHE 26 HE1 PHE 26 4.199 -6.245 -1.358 1482 HE2 PHE 26 HE2 PHE 26 6.813 -2.926 -1.923 1483 HZ PHE 26 HZ PHE 26 4.788 -4.176 -2.556 1484 H GLU 27 H GLU 27 10.868 -6.325 1.470 1485 HA GLU 27 HA GLU 27 11.631 -5.554 -1.077 1486 1HB GLU 27 1HB GLU 27 13.363 -6.441 1.231 1487 2HB GLU 27 2HB GLU 27 13.957 -5.608 -0.198 1488 1HG GLU 27 1HG GLU 27 12.819 -3.629 0.352 1489 2HG GLU 27 2HG GLU 27 11.819 -4.443 1.553 1490 H LYS 28 H LYS 28 12.532 -8.582 0.593 1491 HA LYS 28 HA LYS 28 13.962 -9.632 -1.598 1492 1HB LYS 28 1HB LYS 28 14.160 -10.328 0.817 1493 2HB LYS 28 2HB LYS 28 12.665 -11.230 0.605 1494 1HG LYS 28 1HG LYS 28 13.754 -12.532 -1.193 1495 2HG LYS 28 2HG LYS 28 15.260 -11.677 -0.856 1496 1HD LYS 28 1HD LYS 28 13.777 -13.167 1.289 1497 2HD LYS 28 2HD LYS 28 14.921 -13.981 0.220 1498 1HE LYS 28 1HE LYS 28 16.601 -12.210 0.902 1499 2HE LYS 28 2HE LYS 28 15.456 -11.744 2.160 1500 1HZ LYS 28 1HZ LYS 28 17.332 -13.484 2.624 1501 2HZ LYS 28 2HZ LYS 28 16.221 -14.566 1.946 1502 3HZ LYS 28 3HZ LYS 28 15.797 -13.664 3.314 1503 H VAL 29 H VAL 29 10.635 -10.314 -0.463 1504 HA VAL 29 HA VAL 29 10.067 -12.251 -2.419 1505 HB VAL 29 HB VAL 29 8.132 -10.437 -0.971 1506 1HG1 VAL 29 1HG1 VAL 29 6.459 -12.161 -1.446 1507 2HG1 VAL 29 2HG1 VAL 29 7.652 -13.067 -2.378 1508 3HG1 VAL 29 3HG1 VAL 29 7.116 -11.481 -2.938 1509 1HG2 VAL 29 1HG2 VAL 29 8.195 -11.821 0.817 1510 2HG2 VAL 29 2HG2 VAL 29 9.823 -12.147 0.217 1511 3HG2 VAL 29 3HG2 VAL 29 8.503 -13.255 -0.165 1512 H VAL 30 H VAL 30 9.554 -8.745 -2.398 1513 HA VAL 30 HA VAL 30 8.123 -8.711 -4.855 1514 HB VAL 30 HB VAL 30 9.573 -6.441 -3.479 1515 1HG1 VAL 30 1HG1 VAL 30 7.600 -6.469 -5.756 1516 2HG1 VAL 30 2HG1 VAL 30 9.223 -5.780 -5.732 1517 3HG1 VAL 30 3HG1 VAL 30 7.934 -5.033 -4.788 1518 1HG2 VAL 30 1HG2 VAL 30 7.578 -7.778 -2.382 1519 2HG2 VAL 30 2HG2 VAL 30 6.617 -6.765 -3.455 1520 3HG2 VAL 30 3HG2 VAL 30 7.683 -6.022 -2.263 1521 H LYS 31 H LYS 31 11.552 -8.032 -4.071 1522 HA LYS 31 HA LYS 31 12.289 -7.357 -6.698 1523 1HB LYS 31 1HB LYS 31 13.683 -6.834 -4.750 1524 2HB LYS 31 2HB LYS 31 13.951 -8.549 -4.468 1525 1HG LYS 31 1HG LYS 31 14.907 -8.520 -6.887 1526 2HG LYS 31 2HG LYS 31 15.055 -6.784 -6.604 1527 1HD LYS 31 1HD LYS 31 16.244 -7.429 -4.430 1528 2HD LYS 31 2HD LYS 31 16.365 -9.047 -5.123 1529 1HE LYS 31 1HE LYS 31 17.574 -8.162 -7.034 1530 2HE LYS 31 2HE LYS 31 17.399 -6.523 -6.410 1531 1HZ LYS 31 1HZ LYS 31 19.006 -8.738 -5.276 1532 2HZ LYS 31 2HZ LYS 31 18.641 -7.341 -4.397 1533 3HZ LYS 31 3HZ LYS 31 19.547 -7.230 -5.820 1534 H GLN 32 H GLN 32 12.345 -10.426 -4.933 1535 HA GLN 32 HA GLN 32 13.515 -11.963 -6.979 1536 1HB GLN 32 1HB GLN 32 13.335 -12.684 -4.614 1537 2HB GLN 32 2HB GLN 32 11.601 -12.878 -4.826 1538 1HG GLN 32 1HG GLN 32 12.411 -15.030 -5.059 1539 2HG GLN 32 2HG GLN 32 12.225 -14.489 -6.727 1540 1HE2 GLN 32 1HE2 GLN 32 13.808 -15.256 -7.916 1541 2HE2 GLN 32 2HE2 GLN 32 15.475 -15.338 -7.469 1542 H PHE 33 H PHE 33 10.091 -11.352 -6.157 1543 HA PHE 33 HA PHE 33 9.059 -13.001 -8.203 1544 1HB PHE 33 1HB PHE 33 7.579 -12.673 -6.465 1545 2HB PHE 33 2HB PHE 33 7.982 -10.972 -6.301 1546 HD1 PHE 33 HD1 PHE 33 6.525 -13.112 -9.021 1547 HD2 PHE 33 HD2 PHE 33 6.236 -9.609 -6.625 1548 HE1 PHE 33 HE1 PHE 33 4.441 -12.489 -10.183 1549 HE2 PHE 33 HE2 PHE 33 4.164 -8.975 -7.787 1550 HZ PHE 33 HZ PHE 33 3.264 -10.408 -9.567 1551 H PHE 34 H PHE 34 9.597 -9.485 -8.019 1552 HA PHE 34 HA PHE 34 8.578 -9.080 -10.656 1553 1HB PHE 34 1HB PHE 34 9.818 -7.303 -8.608 1554 2HB PHE 34 2HB PHE 34 9.680 -6.737 -10.276 1555 HD1 PHE 34 HD1 PHE 34 7.774 -7.925 -7.349 1556 HD2 PHE 34 HD2 PHE 34 7.586 -6.146 -11.210 1557 HE1 PHE 34 HE1 PHE 34 5.388 -7.435 -7.005 1558 HE2 PHE 34 HE2 PHE 34 5.202 -5.648 -10.870 1559 HZ PHE 34 HZ PHE 34 4.097 -6.306 -8.772 1560 H ASN 35 H ASN 35 11.804 -9.600 -9.361 1561 HA ASN 35 HA ASN 35 13.303 -8.685 -11.533 1562 1HB ASN 35 1HB ASN 35 13.776 -10.787 -9.457 1563 2HB ASN 35 2HB ASN 35 14.892 -10.655 -10.810 1564 1HD2 ASN 35 1HD2 ASN 35 13.277 -7.839 -9.468 1565 2HD2 ASN 35 2HD2 ASN 35 14.687 -7.154 -8.745 1566 H ASP 36 H ASP 36 11.408 -11.571 -11.163 1567 HA ASP 36 HA ASP 36 12.437 -13.105 -13.276 1568 1HB ASP 36 1HB ASP 36 9.715 -13.041 -11.980 1569 2HB ASP 36 2HB ASP 36 10.162 -14.215 -13.215 1570 H ASN 37 H ASN 37 10.575 -10.236 -13.365 1571 HA ASN 37 HA ASN 37 9.739 -10.796 -16.134 1572 1HB ASN 37 1HB ASN 37 8.122 -8.989 -15.918 1573 2HB ASN 37 2HB ASN 37 7.911 -10.163 -14.622 1574 1HD2 ASN 37 1HD2 ASN 37 7.531 -9.296 -12.741 1575 2HD2 ASN 37 2HD2 ASN 37 8.118 -7.775 -12.174 1576 H GLY 38 H GLY 38 11.894 -8.846 -14.264 1577 1HA GLY 38 1HA GLY 38 13.719 -8.000 -15.807 1578 2HA GLY 38 2HA GLY 38 12.418 -7.185 -16.652 1579 H VAL 39 H VAL 39 12.021 -7.214 -13.241 1580 HA VAL 39 HA VAL 39 12.612 -4.363 -13.178 1581 HB VAL 39 HB VAL 39 11.504 -6.070 -10.945 1582 1HG1 VAL 39 1HG1 VAL 39 12.254 -4.094 -9.972 1583 2HG1 VAL 39 2HG1 VAL 39 10.555 -3.753 -10.308 1584 3HG1 VAL 39 3HG1 VAL 39 11.809 -3.119 -11.374 1585 1HG2 VAL 39 1HG2 VAL 39 9.408 -4.584 -11.896 1586 2HG2 VAL 39 2HG2 VAL 39 9.699 -6.287 -12.255 1587 3HG2 VAL 39 3HG2 VAL 39 10.250 -5.042 -13.379 1588 H ASP 40 H ASP 40 14.149 -3.401 -11.874 1589 HA ASP 40 HA ASP 40 15.767 -4.982 -10.083 1590 1HB ASP 40 1HB ASP 40 16.911 -3.882 -12.654 1591 2HB ASP 40 2HB ASP 40 17.901 -4.370 -11.286 1592 H GLY 41 H GLY 41 17.814 -3.473 -9.503 1593 1HA GLY 41 1HA GLY 41 18.412 -1.072 -9.288 1594 2HA GLY 41 2HA GLY 41 16.702 -0.775 -9.008 1595 H GLU 42 H GLU 42 16.935 0.130 -6.978 1596 HA GLU 42 HA GLU 42 17.428 -1.784 -4.842 1597 1HB GLU 42 1HB GLU 42 19.016 0.744 -5.232 1598 2HB GLU 42 2HB GLU 42 18.838 -0.002 -3.650 1599 1HG GLU 42 1HG GLU 42 19.685 -2.140 -4.860 1600 2HG GLU 42 2HG GLU 42 20.286 -0.995 -6.060 1601 H TRP 43 H TRP 43 16.618 -1.089 -2.779 1602 HA TRP 43 HA TRP 43 14.194 0.401 -3.006 1603 1HB TRP 43 1HB TRP 43 15.621 -0.899 -0.697 1604 2HB TRP 43 2HB TRP 43 14.158 0.050 -0.462 1605 HD1 TRP 43 HD1 TRP 43 15.362 -3.327 -1.636 1606 HE1 TRP 43 HE1 TRP 43 13.336 -4.815 -2.186 1607 HE3 TRP 43 HE3 TRP 43 11.672 0.203 -1.389 1608 HZ2 TRP 43 HZ2 TRP 43 10.541 -4.528 -2.480 1609 HZ3 TRP 43 HZ3 TRP 43 9.350 -0.485 -1.817 1610 HH2 TRP 43 HH2 TRP 43 8.798 -2.803 -2.353 1611 H THR 44 H THR 44 14.024 2.503 -2.999 1612 HA THR 44 HA THR 44 16.029 4.087 -1.541 1613 HB THR 44 HB THR 44 15.466 5.933 -3.054 1614 HG1 THR 44 HG1 THR 44 13.638 5.839 -4.042 1615 1HG2 THR 44 1HG2 THR 44 16.377 5.110 -5.114 1616 2HG2 THR 44 2HG2 THR 44 16.020 3.444 -4.649 1617 3HG2 THR 44 3HG2 THR 44 17.231 4.369 -3.760 1618 H TYR 45 H TYR 45 15.396 5.547 -0.071 1619 HA TYR 45 HA TYR 45 12.812 5.268 1.095 1620 1HB TYR 45 1HB TYR 45 15.186 7.020 1.648 1621 2HB TYR 45 2HB TYR 45 13.655 7.311 2.472 1622 HD1 TYR 45 HD1 TYR 45 16.608 5.237 2.298 1623 HD2 TYR 45 HD2 TYR 45 12.683 5.515 3.917 1624 HE1 TYR 45 HE1 TYR 45 17.167 3.491 3.937 1625 HE2 TYR 45 HE2 TYR 45 13.231 3.771 5.562 1626 HH TYR 45 HH TYR 45 15.604 1.699 5.322 1627 H ASP 46 H ASP 46 11.080 6.663 1.113 1628 HA ASP 46 HA ASP 46 10.720 8.267 -1.211 1629 1HB ASP 46 1HB ASP 46 9.067 7.691 1.233 1630 2HB ASP 46 2HB ASP 46 8.564 8.935 0.092 1631 H ASP 47 H ASP 47 10.138 10.543 -1.225 1632 HA ASP 47 HA ASP 47 11.996 12.149 0.176 1633 1HB ASP 47 1HB ASP 47 10.697 14.064 -0.815 1634 2HB ASP 47 2HB ASP 47 11.254 12.871 -1.986 1635 H ALA 48 H ALA 48 11.857 13.247 2.046 1636 HA ALA 48 HA ALA 48 9.981 12.633 3.986 1637 1HB ALA 48 1HB ALA 48 10.882 14.628 5.198 1638 2HB ALA 48 2HB ALA 48 11.819 15.005 3.752 1639 3HB ALA 48 3HB ALA 48 12.106 13.497 4.621 1640 H THR 49 H THR 49 8.143 13.547 4.759 1641 HA THR 49 HA THR 49 7.091 15.945 3.438 1642 HB THR 49 HB THR 49 5.481 13.422 3.874 1643 HG1 THR 49 HG1 THR 49 6.243 12.856 2.020 1644 1HG2 THR 49 1HG2 THR 49 3.820 14.544 2.426 1645 2HG2 THR 49 2HG2 THR 49 4.775 16.022 2.542 1646 3HG2 THR 49 3HG2 THR 49 4.045 15.330 3.989 1647 H LYS 50 H LYS 50 5.399 17.024 4.662 1648 HA LYS 50 HA LYS 50 5.394 16.285 7.516 1649 1HB LYS 50 1HB LYS 50 5.587 19.054 6.322 1650 2HB LYS 50 2HB LYS 50 5.321 18.728 8.028 1651 1HG LYS 50 1HG LYS 50 7.467 17.689 8.230 1652 2HG LYS 50 2HG LYS 50 7.725 17.779 6.488 1653 1HD LYS 50 1HD LYS 50 7.554 20.280 6.697 1654 2HD LYS 50 2HD LYS 50 7.580 20.061 8.449 1655 1HE LYS 50 1HE LYS 50 9.771 19.339 8.460 1656 2HE LYS 50 2HE LYS 50 9.713 18.808 6.780 1657 1HZ LYS 50 1HZ LYS 50 11.052 20.803 7.040 1658 2HZ LYS 50 2HZ LYS 50 9.734 21.634 7.697 1659 3HZ LYS 50 3HZ LYS 50 9.691 21.121 6.086 1660 H THR 51 H THR 51 3.453 15.976 8.346 1661 HA THR 51 HA THR 51 1.116 17.068 6.928 1662 HB THR 51 HB THR 51 1.479 14.545 8.556 1663 HG1 THR 51 HG1 THR 51 0.572 15.013 5.912 1664 1HG2 THR 51 1HG2 THR 51 -0.879 14.028 8.145 1665 2HG2 THR 51 2HG2 THR 51 -1.123 15.658 7.515 1666 3HG2 THR 51 3HG2 THR 51 -0.686 15.422 9.210 1667 H PHE 52 H PHE 52 -0.299 18.357 7.999 1668 HA PHE 52 HA PHE 52 0.465 19.322 10.609 1669 1HB PHE 52 1HB PHE 52 -0.401 20.782 8.719 1670 2HB PHE 52 2HB PHE 52 -1.993 20.103 9.039 1671 HD1 PHE 52 HD1 PHE 52 0.761 22.070 10.530 1672 HD2 PHE 52 HD2 PHE 52 -3.325 20.909 10.796 1673 HE1 PHE 52 HE1 PHE 52 0.398 23.758 12.283 1674 HE2 PHE 52 HE2 PHE 52 -3.695 22.595 12.549 1675 HZ PHE 52 HZ PHE 52 -1.832 24.023 13.295 1676 H THR 53 H THR 53 -0.191 18.419 12.445 1677 HA THR 53 HA THR 53 -2.548 16.699 12.442 1678 HB THR 53 HB THR 53 -0.463 17.206 14.578 1679 HG1 THR 53 HG1 THR 53 -0.874 15.093 12.744 1680 1HG2 THR 53 1HG2 THR 53 -2.761 15.271 14.532 1681 2HG2 THR 53 2HG2 THR 53 -2.415 16.516 15.732 1682 3HG2 THR 53 3HG2 THR 53 -1.362 15.108 15.594 1683 H VAL 54 H VAL 54 -4.470 17.429 13.062 1684 HA VAL 54 HA VAL 54 -4.804 20.070 14.080 1685 HB VAL 54 HB VAL 54 -6.939 17.948 14.102 1686 1HG1 VAL 54 1HG1 VAL 54 -8.324 20.022 13.529 1687 2HG1 VAL 54 2HG1 VAL 54 -6.906 20.946 14.025 1688 3HG1 VAL 54 3HG1 VAL 54 -7.708 19.875 15.175 1689 1HG2 VAL 54 1HG2 VAL 54 -5.754 19.413 11.783 1690 2HG2 VAL 54 2HG2 VAL 54 -7.476 19.029 11.785 1691 3HG2 VAL 54 3HG2 VAL 54 -6.283 17.734 11.900 1692 H THR 55 H THR 55 -5.847 20.657 16.066 1693 HA THR 55 HA THR 55 -5.884 18.706 18.208 1694 HB THR 55 HB THR 55 -4.107 21.147 18.336 1695 HG1 THR 55 HG1 THR 55 -2.448 19.612 18.470 1696 1HG2 THR 55 1HG2 THR 55 -4.838 19.115 20.411 1697 2HG2 THR 55 2HG2 THR 55 -4.863 20.876 20.526 1698 3HG2 THR 55 3HG2 THR 55 -3.323 20.017 20.477 1699 H GLU 56 H GLU 56 -5.731 22.244 18.090 1700 HA GLU 56 HA GLU 56 -7.155 23.862 18.820 1701 1HB GLU 56 1HB GLU 56 -9.363 21.863 18.340 1702 2HB GLU 56 2HB GLU 56 -9.483 23.618 18.320 1703 1HG GLU 56 1HG GLU 56 -8.185 23.740 16.307 1704 2HG GLU 56 2HG GLU 56 -7.862 22.007 16.363 Start of MODEL 6 1 1H MET 1 1H MET 1 10.388 19.467 -1.127 2 2H MET 1 2H MET 1 11.355 20.483 -0.139 3 3H MET 1 3H MET 1 9.982 21.123 -0.948 4 HA MET 1 HA MET 1 9.901 19.024 1.110 5 1HB MET 1 1HB MET 1 10.743 21.263 1.881 6 2HB MET 1 2HB MET 1 9.220 21.960 1.346 7 1HG MET 1 1HG MET 1 8.964 21.641 3.642 8 2HG MET 1 2HG MET 1 8.090 20.303 2.901 9 1HE MET 1 1HE MET 1 9.130 17.382 4.289 10 2HE MET 1 2HE MET 1 10.120 17.500 2.834 11 3HE MET 1 3HE MET 1 8.497 18.190 2.855 12 H GLN 2 H GLN 2 8.157 17.850 0.733 13 HA GLN 2 HA GLN 2 5.869 19.013 -0.667 14 1HB GLN 2 1HB GLN 2 5.025 16.738 -0.845 15 2HB GLN 2 2HB GLN 2 6.691 16.808 -1.398 16 1HG GLN 2 1HG GLN 2 7.101 16.153 1.166 17 2HG GLN 2 2HG GLN 2 5.514 15.425 0.923 18 1HE2 GLN 2 1HE2 GLN 2 8.613 15.720 -0.788 19 2HE2 GLN 2 2HE2 GLN 2 8.680 14.073 -1.306 20 H TYR 3 H TYR 3 4.117 19.721 0.368 21 HA TYR 3 HA TYR 3 3.843 19.024 3.209 22 1HB TYR 3 1HB TYR 3 3.176 21.494 1.652 23 2HB TYR 3 2HB TYR 3 2.346 21.156 3.168 24 HD1 TYR 3 HD1 TYR 3 5.514 22.105 1.620 25 HD2 TYR 3 HD2 TYR 3 3.565 21.172 5.285 26 HE1 TYR 3 HE1 TYR 3 7.405 23.067 2.863 27 HE2 TYR 3 HE2 TYR 3 5.449 22.134 6.539 28 HH TYR 3 HH TYR 3 7.951 22.538 6.079 29 H LYS 4 H LYS 4 2.092 18.140 3.989 30 HA LYS 4 HA LYS 4 -0.125 17.531 2.147 31 1HB LYS 4 1HB LYS 4 1.320 15.735 3.474 32 2HB LYS 4 2HB LYS 4 0.178 16.116 4.756 33 1HG LYS 4 1HG LYS 4 -1.671 15.591 3.168 34 2HG LYS 4 2HG LYS 4 -0.451 15.040 2.017 35 1HD LYS 4 1HD LYS 4 -1.063 13.068 3.060 36 2HD LYS 4 2HD LYS 4 0.358 13.550 3.988 37 1HE LYS 4 1HE LYS 4 -0.967 14.353 5.776 38 2HE LYS 4 2HE LYS 4 -2.441 14.280 4.811 39 1HZ LYS 4 1HZ LYS 4 -2.353 11.903 4.835 40 2HZ LYS 4 2HZ LYS 4 -2.228 12.451 6.430 41 3HZ LYS 4 3HZ LYS 4 -0.850 11.905 5.614 42 H VAL 5 H VAL 5 -2.053 18.421 2.491 43 HA VAL 5 HA VAL 5 -2.763 19.321 5.196 44 HB VAL 5 HB VAL 5 -3.158 21.080 2.773 45 1HG1 VAL 5 1HG1 VAL 5 -4.813 21.461 4.476 46 2HG1 VAL 5 2HG1 VAL 5 -3.663 22.798 4.491 47 3HG1 VAL 5 3HG1 VAL 5 -3.569 21.540 5.724 48 1HG2 VAL 5 1HG2 VAL 5 -0.861 21.187 3.054 49 2HG2 VAL 5 2HG2 VAL 5 -0.962 20.986 4.803 50 3HG2 VAL 5 3HG2 VAL 5 -1.427 22.518 4.063 51 H ILE 6 H ILE 6 -4.801 18.836 5.746 52 HA ILE 6 HA ILE 6 -6.556 17.738 3.680 53 HB ILE 6 HB ILE 6 -7.063 17.657 6.646 54 1HG1 ILE 6 1HG1 ILE 6 -5.616 15.544 5.038 55 2HG1 ILE 6 2HG1 ILE 6 -4.803 16.704 6.085 56 1HG2 ILE 6 1HG2 ILE 6 -8.978 17.086 5.367 57 2HG2 ILE 6 2HG2 ILE 6 -8.296 15.574 5.969 58 3HG2 ILE 6 3HG2 ILE 6 -8.033 16.054 4.293 59 1HD1 ILE 6 1HD1 ILE 6 -6.487 14.364 6.789 60 2HD1 ILE 6 2HD1 ILE 6 -6.467 15.750 7.879 61 3HD1 ILE 6 3HD1 ILE 6 -4.964 14.916 7.486 62 H LEU 7 H LEU 7 -8.427 18.689 3.078 63 HA LEU 7 HA LEU 7 -9.466 20.901 4.702 64 1HB LEU 7 1HB LEU 7 -8.519 20.999 1.902 65 2HB LEU 7 2HB LEU 7 -10.050 21.794 2.213 66 HG LEU 7 HG LEU 7 -8.496 22.771 4.247 67 1HD1 LEU 7 1HD1 LEU 7 -6.359 23.366 3.415 68 2HD1 LEU 7 2HD1 LEU 7 -6.731 22.731 1.813 69 3HD1 LEU 7 3HD1 LEU 7 -6.533 21.628 3.175 70 1HD2 LEU 7 1HD2 LEU 7 -8.285 24.806 2.746 71 2HD2 LEU 7 2HD2 LEU 7 -9.917 24.189 3.007 72 3HD2 LEU 7 3HD2 LEU 7 -9.075 23.843 1.496 73 H ASN 8 H ASN 8 -11.519 20.525 5.203 74 HA ASN 8 HA ASN 8 -13.363 19.479 3.236 75 1HB ASN 8 1HB ASN 8 -12.507 17.928 5.651 76 2HB ASN 8 2HB ASN 8 -14.165 17.788 5.077 77 1HD2 ASN 8 1HD2 ASN 8 -14.192 17.556 2.546 78 2HD2 ASN 8 2HD2 ASN 8 -13.157 16.311 1.943 79 H GLY 9 H GLY 9 -13.297 19.703 6.779 80 1HA GLY 9 1HA GLY 9 -14.280 21.632 7.905 81 2HA GLY 9 2HA GLY 9 -15.454 21.711 6.600 82 H LYS 10 H LYS 10 -14.319 19.562 9.192 83 HA LYS 10 HA LYS 10 -17.014 19.104 10.073 84 1HB LYS 10 1HB LYS 10 -16.747 16.571 9.864 85 2HB LYS 10 2HB LYS 10 -17.126 17.459 8.394 86 1HG LYS 10 1HG LYS 10 -14.622 17.464 7.943 87 2HG LYS 10 2HG LYS 10 -14.509 16.253 9.223 88 1HD LYS 10 1HD LYS 10 -16.496 15.856 7.036 89 2HD LYS 10 2HD LYS 10 -14.791 15.543 6.704 90 1HE LYS 10 1HE LYS 10 -14.724 14.010 8.630 91 2HE LYS 10 2HE LYS 10 -16.443 14.292 8.897 92 1HZ LYS 10 1HZ LYS 10 -16.599 13.539 6.421 93 2HZ LYS 10 2HZ LYS 10 -16.490 12.389 7.657 94 3HZ LYS 10 3HZ LYS 10 -15.118 12.789 6.754 95 H THR 11 H THR 11 -17.104 18.355 12.175 96 HA THR 11 HA THR 11 -14.501 17.874 13.473 97 HB THR 11 HB THR 11 -16.836 19.094 14.914 98 HG1 THR 11 HG1 THR 11 -14.910 20.441 13.333 99 1HG2 THR 11 1HG2 THR 11 -15.325 18.809 16.548 100 2HG2 THR 11 2HG2 THR 11 -14.650 20.298 15.887 101 3HG2 THR 11 3HG2 THR 11 -13.963 18.740 15.430 102 H LEU 12 H LEU 12 -14.666 16.673 15.550 103 HA LEU 12 HA LEU 12 -16.421 14.383 15.189 104 1HB LEU 12 1HB LEU 12 -14.015 14.062 15.634 105 2HB LEU 12 2HB LEU 12 -14.208 14.851 17.187 106 HG LEU 12 HG LEU 12 -15.939 12.973 17.664 107 1HD1 LEU 12 1HD1 LEU 12 -15.302 10.849 16.505 108 2HD1 LEU 12 2HD1 LEU 12 -14.391 11.824 15.352 109 3HD1 LEU 12 3HD1 LEU 12 -16.138 12.023 15.490 110 1HD2 LEU 12 1HD2 LEU 12 -13.442 13.361 18.460 111 2HD2 LEU 12 2HD2 LEU 12 -13.180 11.886 17.529 112 3HD2 LEU 12 3HD2 LEU 12 -14.332 11.893 18.864 113 H LYS 13 H LYS 13 -15.879 17.008 17.454 114 HA LYS 13 HA LYS 13 -18.105 16.030 19.106 115 1HB LYS 13 1HB LYS 13 -15.819 17.900 19.684 116 2HB LYS 13 2HB LYS 13 -17.235 17.827 20.723 117 1HG LYS 13 1HG LYS 13 -15.438 15.500 20.072 118 2HG LYS 13 2HG LYS 13 -15.382 16.454 21.556 119 1HD LYS 13 1HD LYS 13 -17.955 15.810 21.619 120 2HD LYS 13 2HD LYS 13 -17.382 14.450 20.652 121 1HE LYS 13 1HE LYS 13 -16.210 15.259 23.308 122 2HE LYS 13 2HE LYS 13 -17.439 14.011 23.106 123 1HZ LYS 13 1HZ LYS 13 -14.945 13.842 21.559 124 2HZ LYS 13 2HZ LYS 13 -15.969 12.601 22.080 125 3HZ LYS 13 3HZ LYS 13 -14.945 13.370 23.184 126 H GLY 14 H GLY 14 -19.824 16.759 17.862 127 1HA GLY 14 1HA GLY 14 -21.337 18.759 18.205 128 2HA GLY 14 2HA GLY 14 -20.012 19.686 17.520 129 H GLU 15 H GLU 15 -22.649 19.622 16.487 130 HA GLU 15 HA GLU 15 -22.513 17.940 14.110 131 1HB GLU 15 1HB GLU 15 -24.670 19.844 15.042 132 2HB GLU 15 2HB GLU 15 -24.792 18.758 13.664 133 1HG GLU 15 1HG GLU 15 -24.204 17.675 16.384 134 2HG GLU 15 2HG GLU 15 -25.855 18.088 15.923 135 H THR 16 H THR 16 -23.353 19.101 12.039 136 HA THR 16 HA THR 16 -21.383 20.974 11.277 137 HB THR 16 HB THR 16 -23.985 20.365 9.863 138 HG1 THR 16 HG1 THR 16 -23.073 18.596 9.105 139 1HG2 THR 16 1HG2 THR 16 -22.577 20.768 7.823 140 2HG2 THR 16 2HG2 THR 16 -21.371 21.476 8.896 141 3HG2 THR 16 3HG2 THR 16 -22.976 22.196 8.777 142 H THR 17 H THR 17 -21.635 23.164 10.614 143 HA THR 17 HA THR 17 -24.046 24.575 11.402 144 HB THR 17 HB THR 17 -21.510 25.679 12.522 145 HG1 THR 17 HG1 THR 17 -21.549 24.376 14.245 146 1HG2 THR 17 1HG2 THR 17 -23.921 26.701 12.605 147 2HG2 THR 17 2HG2 THR 17 -22.831 26.817 13.986 148 3HG2 THR 17 3HG2 THR 17 -24.102 25.595 13.965 149 H THR 18 H THR 18 -20.654 25.010 10.408 150 HA THR 18 HA THR 18 -21.451 26.389 8.021 151 HB THR 18 HB THR 18 -21.639 28.217 9.648 152 HG1 THR 18 HG1 THR 18 -20.981 29.163 7.879 153 1HG2 THR 18 1HG2 THR 18 -19.366 27.102 10.831 154 2HG2 THR 18 2HG2 THR 18 -20.222 28.569 11.302 155 3HG2 THR 18 3HG2 THR 18 -18.865 28.662 10.179 156 H GLU 19 H GLU 19 -19.993 26.012 6.474 157 HA GLU 19 HA GLU 19 -17.740 24.398 6.943 158 1HB GLU 19 1HB GLU 19 -18.772 25.934 4.592 159 2HB GLU 19 2HB GLU 19 -17.154 25.248 4.524 160 1HG GLU 19 1HG GLU 19 -17.926 23.189 4.199 161 2HG GLU 19 2HG GLU 19 -19.135 23.348 5.472 162 H ALA 20 H ALA 20 -15.560 25.174 5.811 163 HA ALA 20 HA ALA 20 -14.784 27.876 6.309 164 1HB ALA 20 1HB ALA 20 -14.395 25.866 8.410 165 2HB ALA 20 2HB ALA 20 -14.424 27.626 8.514 166 3HB ALA 20 3HB ALA 20 -12.955 26.797 8.000 167 H VAL 21 H VAL 21 -13.246 24.680 6.458 168 HA VAL 21 HA VAL 21 -11.182 25.568 4.624 169 HB VAL 21 HB VAL 21 -10.325 23.176 4.943 170 1HG1 VAL 21 1HG1 VAL 21 -9.012 23.923 6.625 171 2HG1 VAL 21 2HG1 VAL 21 -10.376 24.477 7.595 172 3HG1 VAL 21 3HG1 VAL 21 -9.801 25.453 6.243 173 1HG2 VAL 21 1HG2 VAL 21 -12.161 23.189 7.325 174 2HG2 VAL 21 2HG2 VAL 21 -11.147 21.875 6.729 175 3HG2 VAL 21 3HG2 VAL 21 -12.571 22.373 5.816 176 H ASP 22 H ASP 22 -12.193 25.800 2.668 177 HA ASP 22 HA ASP 22 -13.475 23.435 1.487 178 1HB ASP 22 1HB ASP 22 -14.744 25.565 1.449 179 2HB ASP 22 2HB ASP 22 -13.449 26.299 0.507 180 H ALA 23 H ALA 23 -12.795 22.540 -0.381 181 HA ALA 23 HA ALA 23 -10.117 22.363 -0.947 182 1HB ALA 23 1HB ALA 23 -12.453 21.223 -1.867 183 2HB ALA 23 2HB ALA 23 -10.814 20.794 -2.365 184 3HB ALA 23 3HB ALA 23 -11.748 21.954 -3.310 185 H ALA 24 H ALA 24 -12.522 24.474 -2.481 186 HA ALA 24 HA ALA 24 -10.778 25.579 -4.417 187 1HB ALA 24 1HB ALA 24 -12.498 27.248 -4.764 188 2HB ALA 24 2HB ALA 24 -13.277 26.797 -3.246 189 3HB ALA 24 3HB ALA 24 -13.235 25.655 -4.590 190 H THR 25 H THR 25 -11.500 26.381 -1.087 191 HA THR 25 HA THR 25 -10.388 28.968 -1.021 192 HB THR 25 HB THR 25 -10.768 26.873 1.124 193 HG1 THR 25 HG1 THR 25 -12.159 29.265 0.510 194 1HG2 THR 25 1HG2 THR 25 -9.424 28.054 2.441 195 2HG2 THR 25 2HG2 THR 25 -10.718 29.255 2.448 196 3HG2 THR 25 3HG2 THR 25 -9.371 29.419 1.322 197 H PHE 26 H PHE 26 -8.997 25.770 -0.504 198 HA PHE 26 HA PHE 26 -6.426 26.641 0.288 199 1HB PHE 26 1HB PHE 26 -7.264 24.338 0.652 200 2HB PHE 26 2HB PHE 26 -7.180 24.051 -1.083 201 HD1 PHE 26 HD1 PHE 26 -5.261 24.460 1.996 202 HD2 PHE 26 HD2 PHE 26 -5.052 23.777 -2.200 203 HE1 PHE 26 HE1 PHE 26 -2.914 23.763 2.231 204 HE2 PHE 26 HE2 PHE 26 -2.705 23.077 -1.973 205 HZ PHE 26 HZ PHE 26 -1.632 23.070 0.244 206 H GLU 27 H GLU 27 -7.620 25.466 -2.853 207 HA GLU 27 HA GLU 27 -5.305 25.780 -4.331 208 1HB GLU 27 1HB GLU 27 -8.180 26.098 -5.199 209 2HB GLU 27 2HB GLU 27 -6.822 25.978 -6.309 210 1HG GLU 27 1HG GLU 27 -6.400 23.755 -5.742 211 2HG GLU 27 2HG GLU 27 -7.354 23.858 -4.263 212 H LYS 28 H LYS 28 -7.917 28.171 -3.884 213 HA LYS 28 HA LYS 28 -6.741 30.154 -5.492 214 1HB LYS 28 1HB LYS 28 -9.129 30.100 -4.831 215 2HB LYS 28 2HB LYS 28 -8.661 30.537 -3.193 216 1HG LYS 28 1HG LYS 28 -7.731 32.646 -4.031 217 2HG LYS 28 2HG LYS 28 -8.242 32.207 -5.663 218 1HD LYS 28 1HD LYS 28 -9.975 33.568 -4.951 219 2HD LYS 28 2HD LYS 28 -10.590 31.955 -4.585 220 1HE LYS 28 1HE LYS 28 -9.889 32.200 -2.265 221 2HE LYS 28 2HE LYS 28 -9.221 33.792 -2.623 222 1HZ LYS 28 1HZ LYS 28 -11.303 34.712 -2.847 223 2HZ LYS 28 2HZ LYS 28 -11.567 33.600 -1.601 224 3HZ LYS 28 3HZ LYS 28 -12.057 33.234 -3.177 225 H VAL 29 H VAL 29 -6.725 29.807 -1.925 226 HA VAL 29 HA VAL 29 -5.207 32.109 -1.414 227 HB VAL 29 HB VAL 29 -5.336 29.575 0.224 228 1HG1 VAL 29 1HG1 VAL 29 -4.516 32.376 0.992 229 2HG1 VAL 29 2HG1 VAL 29 -3.455 30.969 0.875 230 3HG1 VAL 29 3HG1 VAL 29 -4.716 31.025 2.110 231 1HG2 VAL 29 1HG2 VAL 29 -7.349 30.189 0.976 232 2HG2 VAL 29 2HG2 VAL 29 -7.413 31.249 -0.431 233 3HG2 VAL 29 3HG2 VAL 29 -6.876 31.880 1.126 234 H VAL 30 H VAL 30 -4.223 28.781 -2.061 235 HA VAL 30 HA VAL 30 -1.478 29.184 -1.462 236 HB VAL 30 HB VAL 30 -2.748 27.050 -3.187 237 1HG1 VAL 30 1HG1 VAL 30 -0.326 27.309 -3.585 238 2HG1 VAL 30 2HG1 VAL 30 -0.723 25.770 -2.823 239 3HG1 VAL 30 3HG1 VAL 30 -0.038 27.077 -1.860 240 1HG2 VAL 30 1HG2 VAL 30 -1.786 26.441 -0.469 241 2HG2 VAL 30 2HG2 VAL 30 -3.219 25.869 -1.322 242 3HG2 VAL 30 3HG2 VAL 30 -3.220 27.462 -0.565 243 H LYS 31 H LYS 31 -3.274 29.197 -4.552 244 HA LYS 31 HA LYS 31 -1.002 29.617 -6.170 245 1HB LYS 31 1HB LYS 31 -3.278 28.866 -6.949 246 2HB LYS 31 2HB LYS 31 -3.827 30.523 -6.745 247 1HG LYS 31 1HG LYS 31 -2.217 31.278 -8.405 248 2HG LYS 31 2HG LYS 31 -1.621 29.629 -8.590 249 1HD LYS 31 1HD LYS 31 -3.686 28.897 -9.514 250 2HD LYS 31 2HD LYS 31 -4.491 30.403 -9.071 251 1HE LYS 31 1HE LYS 31 -3.530 31.582 -10.789 252 2HE LYS 31 2HE LYS 31 -2.121 30.525 -10.867 253 1HZ LYS 31 1HZ LYS 31 -3.258 29.928 -12.747 254 2HZ LYS 31 2HZ LYS 31 -4.783 30.161 -12.055 255 3HZ LYS 31 3HZ LYS 31 -3.872 28.795 -11.651 256 H GLN 32 H GLN 32 -3.322 31.845 -4.692 257 HA GLN 32 HA GLN 32 -2.245 34.213 -5.784 258 1HB GLN 32 1HB GLN 32 -4.513 33.954 -4.723 259 2HB GLN 32 2HB GLN 32 -3.712 33.950 -3.156 260 1HG GLN 32 1HG GLN 32 -4.547 36.143 -3.575 261 2HG GLN 32 2HG GLN 32 -2.787 36.188 -3.680 262 1HE2 GLN 32 1HE2 GLN 32 -2.089 37.419 -5.257 263 2HE2 GLN 32 2HE2 GLN 32 -2.849 37.653 -6.790 264 H PHE 33 H PHE 33 -1.619 32.507 -2.718 265 HA PHE 33 HA PHE 33 0.144 34.446 -1.682 266 1HB PHE 33 1HB PHE 33 -0.789 33.143 -0.055 267 2HB PHE 33 2HB PHE 33 -0.682 31.674 -1.007 268 HD1 PHE 33 HD1 PHE 33 1.809 34.120 0.405 269 HD2 PHE 33 HD2 PHE 33 0.541 30.082 -0.044 270 HE1 PHE 33 HE1 PHE 33 3.731 33.364 1.757 271 HE2 PHE 33 HE2 PHE 33 2.461 29.320 1.288 272 HZ PHE 33 HZ PHE 33 4.061 30.955 2.188 273 H PHE 34 H PHE 34 0.782 31.382 -3.392 274 HA PHE 34 HA PHE 34 3.611 31.837 -3.244 275 1HB PHE 34 1HB PHE 34 1.929 29.701 -4.493 276 2HB PHE 34 2HB PHE 34 3.656 29.808 -4.840 277 HD1 PHE 34 HD1 PHE 34 1.407 28.162 -2.848 278 HD2 PHE 34 HD2 PHE 34 5.034 30.366 -2.535 279 HE1 PHE 34 HE1 PHE 34 1.898 27.050 -0.706 280 HE2 PHE 34 HE2 PHE 34 5.536 29.253 -0.403 281 HZ PHE 34 HZ PHE 34 3.969 27.597 0.519 282 H ASN 35 H ASN 35 1.145 32.450 -5.682 283 HA ASN 35 HA ASN 35 2.763 32.769 -7.923 284 1HB ASN 35 1HB ASN 35 0.181 34.037 -7.089 285 2HB ASN 35 2HB ASN 35 1.009 34.639 -8.520 286 1HD2 ASN 35 1HD2 ASN 35 1.156 31.271 -7.573 287 2HD2 ASN 35 2HD2 ASN 35 0.181 30.674 -8.866 288 H ASP 36 H ASP 36 2.414 34.808 -5.150 289 HA ASP 36 HA ASP 36 3.476 37.207 -6.136 290 1HB ASP 36 1HB ASP 36 3.656 36.108 -3.324 291 2HB ASP 36 2HB ASP 36 3.879 37.791 -3.797 292 H ASN 37 H ASN 37 5.010 34.233 -5.576 293 HA ASN 37 HA ASN 37 7.653 35.519 -5.399 294 1HB ASN 37 1HB ASN 37 8.551 33.484 -4.538 295 2HB ASN 37 2HB ASN 37 7.064 33.818 -3.658 296 1HD2 ASN 37 1HD2 ASN 37 5.893 32.100 -3.306 297 2HD2 ASN 37 2HD2 ASN 37 5.763 30.718 -4.335 298 H GLY 38 H GLY 38 5.643 33.805 -7.598 299 1HA GLY 38 1HA GLY 38 6.527 34.121 -9.931 300 2HA GLY 38 2HA GLY 38 7.987 33.349 -9.340 301 H VAL 39 H VAL 39 5.039 32.072 -8.111 302 HA VAL 39 HA VAL 39 5.491 29.617 -9.606 303 HB VAL 39 HB VAL 39 3.395 30.149 -7.494 304 1HG1 VAL 39 1HG1 VAL 39 3.724 27.590 -7.253 305 2HG1 VAL 39 2HG1 VAL 39 4.400 27.692 -8.878 306 3HG1 VAL 39 3HG1 VAL 39 2.740 28.208 -8.581 307 1HG2 VAL 39 1HG2 VAL 39 6.270 29.355 -7.280 308 2HG2 VAL 39 2HG2 VAL 39 5.101 28.785 -6.088 309 3HG2 VAL 39 3HG2 VAL 39 5.353 30.516 -6.319 310 H ASP 40 H ASP 40 4.033 28.673 -11.031 311 HA ASP 40 HA ASP 40 1.495 29.963 -11.562 312 1HB ASP 40 1HB ASP 40 3.802 30.043 -13.488 313 2HB ASP 40 2HB ASP 40 2.140 30.057 -14.073 314 H GLY 41 H GLY 41 0.531 28.829 -13.656 315 1HA GLY 41 1HA GLY 41 0.612 26.680 -14.893 316 2HA GLY 41 2HA GLY 41 1.069 25.935 -13.369 317 H GLU 42 H GLU 42 -0.642 24.528 -13.220 318 HA GLU 42 HA GLU 42 -3.158 25.720 -12.398 319 1HB GLU 42 1HB GLU 42 -2.971 23.782 -14.707 320 2HB GLU 42 2HB GLU 42 -4.470 24.194 -13.885 321 1HG GLU 42 1HG GLU 42 -3.807 26.636 -14.474 322 2HG GLU 42 2HG GLU 42 -2.769 25.868 -15.673 323 H TRP 43 H TRP 43 -4.575 24.203 -11.313 324 HA TRP 43 HA TRP 43 -3.104 22.357 -9.702 325 1HB TRP 43 1HB TRP 43 -5.998 23.156 -9.847 326 2HB TRP 43 2HB TRP 43 -5.470 21.831 -8.815 327 HD1 TRP 43 HD1 TRP 43 -5.763 25.545 -8.897 328 HE1 TRP 43 HE1 TRP 43 -4.725 26.561 -6.774 329 HE3 TRP 43 HE3 TRP 43 -3.366 21.399 -7.103 330 HZ2 TRP 43 HZ2 TRP 43 -3.100 25.717 -4.622 331 HZ3 TRP 43 HZ3 TRP 43 -2.092 21.589 -5.007 332 HH2 TRP 43 HH2 TRP 43 -1.962 23.703 -3.794 333 H THR 44 H THR 44 -2.672 20.331 -10.109 334 HA THR 44 HA THR 44 -4.356 18.895 -12.049 335 HB THR 44 HB THR 44 -2.382 17.545 -12.590 336 HG1 THR 44 HG1 THR 44 -0.533 17.755 -11.549 337 1HG2 THR 44 1HG2 THR 44 -1.627 20.450 -12.720 338 2HG2 THR 44 2HG2 THR 44 -2.750 19.664 -13.830 339 3HG2 THR 44 3HG2 THR 44 -1.066 19.144 -13.764 340 H TYR 45 H TYR 45 -5.142 16.952 -11.531 341 HA TYR 45 HA TYR 45 -5.265 16.224 -8.769 342 1HB TYR 45 1HB TYR 45 -6.394 15.066 -11.292 343 2HB TYR 45 2HB TYR 45 -6.451 14.134 -9.798 344 HD1 TYR 45 HD1 TYR 45 -7.796 17.009 -11.601 345 HD2 TYR 45 HD2 TYR 45 -7.780 14.916 -7.897 346 HE1 TYR 45 HE1 TYR 45 -9.821 18.222 -10.913 347 HE2 TYR 45 HE2 TYR 45 -9.804 16.121 -7.199 348 HH TYR 45 HH TYR 45 -11.773 17.292 -8.446 349 H ASP 46 H ASP 46 -4.379 14.469 -7.719 350 HA ASP 46 HA ASP 46 -1.835 13.608 -8.664 351 1HB ASP 46 1HB ASP 46 -3.508 12.708 -6.309 352 2HB ASP 46 2HB ASP 46 -1.865 12.156 -6.616 353 H ASP 47 H ASP 47 -1.175 11.383 -9.003 354 HA ASP 47 HA ASP 47 -2.915 9.990 -10.756 355 1HB ASP 47 1HB ASP 47 -0.166 9.632 -9.728 356 2HB ASP 47 2HB ASP 47 -0.986 8.158 -10.235 357 H ALA 48 H ALA 48 -4.081 8.124 -10.485 358 HA ALA 48 HA ALA 48 -5.269 7.621 -8.023 359 1HB ALA 48 1HB ALA 48 -5.064 5.833 -10.439 360 2HB ALA 48 2HB ALA 48 -6.346 6.988 -10.075 361 3HB ALA 48 3HB ALA 48 -6.141 5.553 -9.071 362 H THR 49 H THR 49 -4.929 6.220 -6.379 363 HA THR 49 HA THR 49 -2.590 4.445 -6.546 364 HB THR 49 HB THR 49 -3.380 6.120 -4.154 365 HG1 THR 49 HG1 THR 49 -1.713 7.405 -4.666 366 1HG2 THR 49 1HG2 THR 49 -2.336 4.271 -3.227 367 2HG2 THR 49 2HG2 THR 49 -1.023 5.431 -3.423 368 3HG2 THR 49 3HG2 THR 49 -1.209 4.109 -4.573 369 H LYS 50 H LYS 50 -2.639 2.614 -5.091 370 HA LYS 50 HA LYS 50 -5.390 1.845 -4.362 371 1HB LYS 50 1HB LYS 50 -3.952 0.609 -6.240 372 2HB LYS 50 2HB LYS 50 -3.314 -0.237 -4.837 373 1HG LYS 50 1HG LYS 50 -5.178 -1.435 -4.567 374 2HG LYS 50 2HG LYS 50 -6.226 -0.045 -4.858 375 1HD LYS 50 1HD LYS 50 -4.750 -1.257 -7.151 376 2HD LYS 50 2HD LYS 50 -6.185 -2.072 -6.527 377 1HE LYS 50 1HE LYS 50 -7.311 0.238 -6.726 378 2HE LYS 50 2HE LYS 50 -5.948 0.648 -7.766 379 1HZ LYS 50 1HZ LYS 50 -8.155 -1.211 -8.238 380 2HZ LYS 50 2HZ LYS 50 -6.649 -1.605 -8.897 381 3HZ LYS 50 3HZ LYS 50 -7.394 -0.144 -9.308 382 H THR 51 H THR 51 -5.776 1.064 -2.357 383 HA THR 51 HA THR 51 -3.502 0.543 -0.582 384 HB THR 51 HB THR 51 -5.794 2.448 -0.042 385 HG1 THR 51 HG1 THR 51 -4.128 3.909 0.247 386 1HG2 THR 51 1HG2 THR 51 -3.704 1.544 1.931 387 2HG2 THR 51 2HG2 THR 51 -5.404 1.073 1.966 388 3HG2 THR 51 3HG2 THR 51 -4.952 2.763 2.191 389 H PHE 52 H PHE 52 -3.738 -1.298 0.512 390 HA PHE 52 HA PHE 52 -6.182 -2.804 0.268 391 1HB PHE 52 1HB PHE 52 -3.923 -3.840 0.064 392 2HB PHE 52 2HB PHE 52 -3.658 -3.514 1.774 393 HD1 PHE 52 HD1 PHE 52 -5.806 -5.376 -0.597 394 HD2 PHE 52 HD2 PHE 52 -4.453 -4.979 3.417 395 HE1 PHE 52 HE1 PHE 52 -6.874 -7.519 -0.031 396 HE2 PHE 52 HE2 PHE 52 -5.518 -7.122 3.992 397 HZ PHE 52 HZ PHE 52 -6.730 -8.394 2.267 398 H THR 53 H THR 53 -7.789 -2.874 1.690 399 HA THR 53 HA THR 53 -7.368 -1.706 4.346 400 HB THR 53 HB THR 53 -9.937 -2.377 2.893 401 HG1 THR 53 HG1 THR 53 -8.626 0.091 3.363 402 1HG2 THR 53 1HG2 THR 53 -11.123 -1.208 4.570 403 2HG2 THR 53 2HG2 THR 53 -9.633 -0.697 5.363 404 3HG2 THR 53 3HG2 THR 53 -10.111 -2.395 5.391 405 H VAL 54 H VAL 54 -7.134 -3.007 6.053 406 HA VAL 54 HA VAL 54 -7.357 -5.834 5.811 407 HB VAL 54 HB VAL 54 -7.190 -4.377 8.436 408 1HG1 VAL 54 1HG1 VAL 54 -5.597 -6.440 8.761 409 2HG1 VAL 54 2HG1 VAL 54 -6.544 -7.102 7.430 410 3HG1 VAL 54 3HG1 VAL 54 -7.344 -6.610 8.922 411 1HG2 VAL 54 1HG2 VAL 54 -5.481 -3.291 7.285 412 2HG2 VAL 54 2HG2 VAL 54 -5.069 -4.726 6.347 413 3HG2 VAL 54 3HG2 VAL 54 -4.652 -4.642 8.059 414 H THR 55 H THR 55 -8.706 -7.238 7.070 415 HA THR 55 HA THR 55 -11.109 -6.124 8.248 416 HB THR 55 HB THR 55 -11.248 -8.004 5.887 417 HG1 THR 55 HG1 THR 55 -10.860 -5.900 5.216 418 1HG2 THR 55 1HG2 THR 55 -13.728 -7.329 6.058 419 2HG2 THR 55 2HG2 THR 55 -13.342 -6.956 7.737 420 3HG2 THR 55 3HG2 THR 55 -13.106 -8.592 7.121 421 H GLU 56 H GLU 56 -10.205 -9.299 6.946 422 HA GLU 56 HA GLU 56 -10.033 -11.355 7.907 423 1HB GLU 56 1HB GLU 56 -9.414 -9.904 10.480 424 2HB GLU 56 2HB GLU 56 -8.914 -11.523 10.012 425 1HG GLU 56 1HG GLU 56 -7.332 -10.726 8.496 426 2HG GLU 56 2HG GLU 56 -8.051 -9.118 8.454 427 1H MET 1 1H MET 1 -9.927 15.606 2.203 428 2H MET 1 2H MET 1 -11.203 16.530 1.523 429 3H MET 1 3H MET 1 -10.049 17.281 2.547 430 HA MET 1 HA MET 1 -9.425 16.014 -0.030 431 1HB MET 1 1HB MET 1 -10.969 17.991 -0.161 432 2HB MET 1 2HB MET 1 -9.724 18.950 0.625 433 1HG MET 1 1HG MET 1 -9.489 19.407 -1.648 434 2HG MET 1 2HG MET 1 -8.202 18.259 -1.287 435 1HE MET 1 1HE MET 1 -8.344 15.686 -3.506 436 2HE MET 1 2HE MET 1 -9.251 15.066 -2.126 437 3HE MET 1 3HE MET 1 -7.926 16.202 -1.872 438 H GLN 2 H GLN 2 -7.387 15.396 0.070 439 HA GLN 2 HA GLN 2 -5.511 16.763 1.849 440 1HB GLN 2 1HB GLN 2 -3.989 14.918 1.402 441 2HB GLN 2 2HB GLN 2 -5.564 14.301 1.878 442 1HG GLN 2 1HG GLN 2 -5.879 14.313 -0.781 443 2HG GLN 2 2HG GLN 2 -4.134 14.079 -0.688 444 1HE2 GLN 2 1HE2 GLN 2 -7.088 12.887 0.884 445 2HE2 GLN 2 2HE2 GLN 2 -6.608 11.227 0.911 446 H TYR 3 H TYR 3 -4.119 18.248 1.144 447 HA TYR 3 HA TYR 3 -3.776 18.519 -1.761 448 1HB TYR 3 1HB TYR 3 -3.847 20.518 0.466 449 2HB TYR 3 2HB TYR 3 -3.027 20.906 -1.042 450 HD1 TYR 3 HD1 TYR 3 -6.252 20.327 0.565 451 HD2 TYR 3 HD2 TYR 3 -4.292 21.141 -3.121 452 HE1 TYR 3 HE1 TYR 3 -8.408 20.956 -0.436 453 HE2 TYR 3 HE2 TYR 3 -6.441 21.775 -4.132 454 HH TYR 3 HH TYR 3 -8.919 21.218 -3.688 455 H LYS 4 H LYS 4 -1.876 18.490 -2.677 456 HA LYS 4 HA LYS 4 0.504 18.102 -0.984 457 1HB LYS 4 1HB LYS 4 -0.368 16.406 -2.834 458 2HB LYS 4 2HB LYS 4 0.530 17.477 -3.902 459 1HG LYS 4 1HG LYS 4 2.530 17.124 -2.457 460 2HG LYS 4 2HG LYS 4 1.605 15.915 -1.566 461 1HD LYS 4 1HD LYS 4 2.736 14.612 -3.103 462 2HD LYS 4 2HD LYS 4 1.197 14.885 -3.923 463 1HE LYS 4 1HE LYS 4 2.134 16.531 -5.338 464 2HE LYS 4 2HE LYS 4 3.597 16.645 -4.359 465 1HZ LYS 4 1HZ LYS 4 4.262 14.482 -5.073 466 2HZ LYS 4 2HZ LYS 4 3.877 15.381 -6.452 467 3HZ LYS 4 3HZ LYS 4 2.794 14.220 -5.872 468 H VAL 5 H VAL 5 2.041 19.611 -0.965 469 HA VAL 5 HA VAL 5 2.309 21.422 -3.262 470 HB VAL 5 HB VAL 5 2.243 22.452 -0.426 471 1HG1 VAL 5 1HG1 VAL 5 3.609 23.801 -1.877 472 2HG1 VAL 5 2HG1 VAL 5 2.096 24.652 -1.562 473 3HG1 VAL 5 3HG1 VAL 5 2.342 23.833 -3.104 474 1HG2 VAL 5 1HG2 VAL 5 0.018 21.901 -0.771 475 2HG2 VAL 5 2HG2 VAL 5 0.094 22.248 -2.499 476 3HG2 VAL 5 3HG2 VAL 5 0.085 23.571 -1.332 477 H ILE 6 H ILE 6 4.368 21.787 -3.832 478 HA ILE 6 HA ILE 6 6.478 20.748 -2.091 479 HB ILE 6 HB ILE 6 6.836 21.683 -4.930 480 1HG1 ILE 6 1HG1 ILE 6 6.208 18.853 -4.066 481 2HG1 ILE 6 2HG1 ILE 6 5.016 19.948 -4.758 482 1HG2 ILE 6 1HG2 ILE 6 8.893 21.397 -3.784 483 2HG2 ILE 6 2HG2 ILE 6 8.690 19.990 -4.828 484 3HG2 ILE 6 3HG2 ILE 6 8.374 19.858 -3.099 485 1HD1 ILE 6 1HD1 ILE 6 7.300 18.563 -6.050 486 2HD1 ILE 6 2HD1 ILE 6 6.795 20.129 -6.685 487 3HD1 ILE 6 3HD1 ILE 6 5.646 18.794 -6.616 488 H LEU 7 H LEU 7 7.966 22.025 -1.133 489 HA LEU 7 HA LEU 7 8.219 24.816 -2.015 490 1HB LEU 7 1HB LEU 7 7.378 23.814 0.640 491 2HB LEU 7 2HB LEU 7 8.565 25.104 0.651 492 HG LEU 7 HG LEU 7 6.710 26.076 -1.115 493 1HD1 LEU 7 1HD1 LEU 7 4.526 25.714 -0.258 494 2HD1 LEU 7 2HD1 LEU 7 5.146 24.787 1.109 495 3HD1 LEU 7 3HD1 LEU 7 5.247 24.126 -0.523 496 1HD2 LEU 7 1HD2 LEU 7 5.921 27.425 0.889 497 2HD2 LEU 7 2HD2 LEU 7 7.651 27.459 0.545 498 3HD2 LEU 7 3HD2 LEU 7 7.032 26.450 1.851 499 H ASN 8 H ASN 8 10.297 25.276 -2.431 500 HA ASN 8 HA ASN 8 12.372 24.152 -0.714 501 1HB ASN 8 1HB ASN 8 11.987 23.459 -3.582 502 2HB ASN 8 2HB ASN 8 13.639 23.660 -3.001 503 1HD2 ASN 8 1HD2 ASN 8 13.818 22.608 -0.663 504 2HD2 ASN 8 2HD2 ASN 8 13.297 20.962 -0.609 505 H GLY 9 H GLY 9 13.745 25.675 -0.139 506 1HA GLY 9 1HA GLY 9 14.138 27.956 -1.977 507 2HA GLY 9 2HA GLY 9 14.110 28.116 -0.228 508 H LYS 10 H LYS 10 15.839 26.162 -2.670 509 HA LYS 10 HA LYS 10 18.375 27.138 -1.659 510 1HB LYS 10 1HB LYS 10 17.906 25.227 -0.188 511 2HB LYS 10 2HB LYS 10 17.708 24.189 -1.593 512 1HG LYS 10 1HG LYS 10 20.082 24.732 -2.203 513 2HG LYS 10 2HG LYS 10 20.227 25.520 -0.632 514 1HD LYS 10 1HD LYS 10 19.239 23.192 0.190 515 2HD LYS 10 2HD LYS 10 19.994 22.637 -1.306 516 1HE LYS 10 1HE LYS 10 21.459 24.296 0.730 517 2HE LYS 10 2HE LYS 10 21.409 22.536 0.805 518 1HZ LYS 10 1HZ LYS 10 22.499 22.385 -1.284 519 2HZ LYS 10 2HZ LYS 10 23.388 23.473 -0.345 520 3HZ LYS 10 3HZ LYS 10 22.365 24.048 -1.562 521 H THR 11 H THR 11 19.590 27.582 -3.352 522 HA THR 11 HA THR 11 20.382 27.676 -5.480 523 HB THR 11 HB THR 11 21.063 25.551 -6.467 524 HG1 THR 11 HG1 THR 11 20.428 23.607 -5.449 525 1HG2 THR 11 1HG2 THR 11 21.798 24.518 -4.014 526 2HG2 THR 11 2HG2 THR 11 21.647 26.253 -3.730 527 3HG2 THR 11 3HG2 THR 11 22.714 25.657 -5.000 528 H LEU 12 H LEU 12 18.391 28.767 -6.123 529 HA LEU 12 HA LEU 12 16.678 27.116 -7.856 530 1HB LEU 12 1HB LEU 12 16.202 29.582 -6.255 531 2HB LEU 12 2HB LEU 12 15.299 29.384 -7.745 532 HG LEU 12 HG LEU 12 14.530 27.146 -6.864 533 1HD1 LEU 12 1HD1 LEU 12 15.360 28.162 -4.172 534 2HD1 LEU 12 2HD1 LEU 12 16.429 27.136 -5.129 535 3HD1 LEU 12 3HD1 LEU 12 14.842 26.544 -4.641 536 1HD2 LEU 12 1HD2 LEU 12 13.793 29.789 -5.698 537 2HD2 LEU 12 2HD2 LEU 12 13.034 28.326 -5.070 538 3HD2 LEU 12 3HD2 LEU 12 12.877 28.739 -6.778 539 H LYS 13 H LYS 13 18.731 29.945 -7.705 540 HA LYS 13 HA LYS 13 18.976 29.926 -10.596 541 1HB LYS 13 1HB LYS 13 17.074 31.482 -10.042 542 2HB LYS 13 2HB LYS 13 18.229 32.482 -9.173 543 1HG LYS 13 1HG LYS 13 19.537 32.585 -11.354 544 2HG LYS 13 2HG LYS 13 18.088 31.926 -12.116 545 1HD LYS 13 1HD LYS 13 16.847 33.851 -10.950 546 2HD LYS 13 2HD LYS 13 18.448 34.556 -10.716 547 1HE LYS 13 1HE LYS 13 18.837 34.633 -13.072 548 2HE LYS 13 2HE LYS 13 17.380 33.694 -13.397 549 1HZ LYS 13 1HZ LYS 13 17.573 36.488 -12.438 550 2HZ LYS 13 2HZ LYS 13 16.139 35.598 -12.328 551 3HZ LYS 13 3HZ LYS 13 16.825 35.913 -13.842 552 H GLY 14 H GLY 14 21.103 29.229 -10.084 553 1HA GLY 14 1HA GLY 14 23.360 29.620 -9.880 554 2HA GLY 14 2HA GLY 14 22.993 31.337 -9.909 555 H GLU 15 H GLU 15 22.261 32.316 -7.866 556 HA GLU 15 HA GLU 15 23.749 31.155 -5.629 557 1HB GLU 15 1HB GLU 15 22.617 33.930 -6.026 558 2HB GLU 15 2HB GLU 15 23.520 33.407 -4.611 559 1HG GLU 15 1HG GLU 15 25.227 32.726 -6.606 560 2HG GLU 15 2HG GLU 15 24.461 34.165 -7.278 561 H THR 16 H THR 16 22.719 31.813 -3.405 562 HA THR 16 HA THR 16 20.423 30.261 -3.055 563 HB THR 16 HB THR 16 21.880 30.597 -1.199 564 HG1 THR 16 HG1 THR 16 19.896 30.390 -0.369 565 1HG2 THR 16 1HG2 THR 16 22.905 32.677 -1.559 566 2HG2 THR 16 2HG2 THR 16 21.987 32.847 -0.063 567 3HG2 THR 16 3HG2 THR 16 21.360 33.526 -1.564 568 H THR 17 H THR 17 20.803 33.697 -3.630 569 HA THR 17 HA THR 17 19.323 35.379 -4.014 570 HB THR 17 HB THR 17 17.455 34.892 -5.387 571 HG1 THR 17 HG1 THR 17 16.256 33.181 -5.152 572 1HG2 THR 17 1HG2 THR 17 18.743 32.480 -6.304 573 2HG2 THR 17 2HG2 THR 17 19.906 33.768 -5.988 574 3HG2 THR 17 3HG2 THR 17 18.564 34.043 -7.100 575 H THR 18 H THR 18 16.663 35.753 -3.713 576 HA THR 18 HA THR 18 16.110 35.021 -0.914 577 HB THR 18 HB THR 18 15.055 37.325 -0.715 578 HG1 THR 18 HG1 THR 18 15.037 38.473 -2.451 579 1HG2 THR 18 1HG2 THR 18 17.910 36.707 -0.743 580 2HG2 THR 18 2HG2 THR 18 16.928 37.518 0.478 581 3HG2 THR 18 3HG2 THR 18 17.527 38.421 -0.915 582 H GLU 19 H GLU 19 13.926 34.811 -0.333 583 HA GLU 19 HA GLU 19 11.757 34.194 -0.622 584 1HB GLU 19 1HB GLU 19 11.952 36.015 -3.028 585 2HB GLU 19 2HB GLU 19 10.453 35.379 -2.364 586 1HG GLU 19 1HG GLU 19 10.650 36.653 -0.406 587 2HG GLU 19 2HG GLU 19 12.347 37.018 -0.715 588 H ALA 20 H ALA 20 12.328 32.014 -1.016 589 HA ALA 20 HA ALA 20 11.679 31.139 -3.727 590 1HB ALA 20 1HB ALA 20 14.283 30.691 -2.360 591 2HB ALA 20 2HB ALA 20 13.935 31.001 -4.061 592 3HB ALA 20 3HB ALA 20 13.631 29.406 -3.377 593 H VAL 21 H VAL 21 9.817 30.886 -2.038 594 HA VAL 21 HA VAL 21 8.509 29.611 -0.646 595 HB VAL 21 HB VAL 21 8.316 27.203 -1.558 596 1HG1 VAL 21 1HG1 VAL 21 6.726 27.946 -3.006 597 2HG1 VAL 21 2HG1 VAL 21 7.789 29.152 -3.730 598 3HG1 VAL 21 3HG1 VAL 21 7.046 29.460 -2.160 599 1HG2 VAL 21 1HG2 VAL 21 9.937 28.404 -3.796 600 2HG2 VAL 21 2HG2 VAL 21 9.272 26.773 -3.705 601 3HG2 VAL 21 3HG2 VAL 21 10.578 27.254 -2.624 602 H ASP 22 H ASP 22 9.389 29.540 1.369 603 HA ASP 22 HA ASP 22 11.368 27.450 1.958 604 1HB ASP 22 1HB ASP 22 11.882 29.784 2.647 605 2HB ASP 22 2HB ASP 22 10.464 29.758 3.691 606 H ALA 23 H ALA 23 11.067 25.901 3.442 607 HA ALA 23 HA ALA 23 8.605 24.746 3.806 608 1HB ALA 23 1HB ALA 23 11.218 24.170 4.470 609 2HB ALA 23 2HB ALA 23 9.817 23.134 4.751 610 3HB ALA 23 3HB ALA 23 10.392 24.208 6.028 611 H ALA 24 H ALA 24 10.302 26.965 5.994 612 HA ALA 24 HA ALA 24 8.395 26.865 8.083 613 1HB ALA 24 1HB ALA 24 9.517 28.827 8.966 614 2HB ALA 24 2HB ALA 24 10.335 29.079 7.424 615 3HB ALA 24 3HB ALA 24 10.703 27.654 8.395 616 H THR 25 H THR 25 8.666 28.771 5.162 617 HA THR 25 HA THR 25 6.796 30.782 5.788 618 HB THR 25 HB THR 25 7.711 29.619 3.154 619 HG1 THR 25 HG1 THR 25 8.310 32.041 4.499 620 1HG2 THR 25 1HG2 THR 25 6.004 30.643 2.168 621 2HG2 THR 25 2HG2 THR 25 6.850 32.139 2.567 622 3HG2 THR 25 3HG2 THR 25 5.576 31.538 3.627 623 H PHE 26 H PHE 26 6.457 27.599 4.313 624 HA PHE 26 HA PHE 26 3.706 27.802 3.685 625 1HB PHE 26 1HB PHE 26 5.208 26.086 2.714 626 2HB PHE 26 2HB PHE 26 5.302 25.304 4.289 627 HD1 PHE 26 HD1 PHE 26 3.207 25.948 1.371 628 HD2 PHE 26 HD2 PHE 26 3.423 24.069 5.183 629 HE1 PHE 26 HE1 PHE 26 1.189 24.645 0.838 630 HE2 PHE 26 HE2 PHE 26 1.407 22.759 4.656 631 HZ PHE 26 HZ PHE 26 0.287 23.047 2.481 632 H GLU 27 H GLU 27 5.359 26.219 6.411 633 HA GLU 27 HA GLU 27 3.133 25.353 7.805 634 1HB GLU 27 1HB GLU 27 5.800 26.290 8.863 635 2HB GLU 27 2HB GLU 27 4.601 25.440 9.827 636 1HG GLU 27 1HG GLU 27 4.872 23.456 8.634 637 2HG GLU 27 2HG GLU 27 5.666 24.269 7.287 638 H LYS 28 H LYS 28 4.838 28.464 8.183 639 HA LYS 28 HA LYS 28 3.180 29.433 10.233 640 1HB LYS 28 1HB LYS 28 5.431 30.319 9.688 641 2HB LYS 28 2HB LYS 28 4.765 31.040 8.227 642 1HG LYS 28 1HG LYS 28 3.269 32.414 9.599 643 2HG LYS 28 2HG LYS 28 3.976 31.709 11.055 644 1HD LYS 28 1HD LYS 28 5.155 33.692 10.837 645 2HD LYS 28 2HD LYS 28 6.224 32.528 10.053 646 1HE LYS 28 1HE LYS 28 5.366 33.188 7.872 647 2HE LYS 28 2HE LYS 28 4.252 34.321 8.640 648 1HZ LYS 28 1HZ LYS 28 5.945 35.750 9.192 649 2HZ LYS 28 2HZ LYS 28 6.499 35.160 7.706 650 3HZ LYS 28 3HZ LYS 28 7.140 34.552 9.148 651 H VAL 29 H VAL 29 3.103 30.132 6.720 652 HA VAL 29 HA VAL 29 0.914 31.885 6.817 653 HB VAL 29 HB VAL 29 1.753 30.096 4.531 654 1HG1 VAL 29 1HG1 VAL 29 0.063 32.596 4.557 655 2HG1 VAL 29 2HG1 VAL 29 -0.500 30.956 4.221 656 3HG1 VAL 29 3HG1 VAL 29 0.620 31.751 3.111 657 1HG2 VAL 29 1HG2 VAL 29 3.438 31.494 4.084 658 2HG2 VAL 29 2HG2 VAL 29 3.227 32.084 5.733 659 3HG2 VAL 29 3HG2 VAL 29 2.450 32.921 4.389 660 H VAL 30 H VAL 30 1.058 28.377 6.437 661 HA VAL 30 HA VAL 30 -1.700 28.049 5.853 662 HB VAL 30 HB VAL 30 0.258 26.025 6.954 663 1HG1 VAL 30 1HG1 VAL 30 -2.102 25.387 7.300 664 2HG1 VAL 30 2HG1 VAL 30 -1.276 24.330 6.155 665 3HG1 VAL 30 3HG1 VAL 30 -2.384 25.571 5.568 666 1HG2 VAL 30 1HG2 VAL 30 -0.598 25.943 4.136 667 2HG2 VAL 30 2HG2 VAL 30 0.985 25.636 4.852 668 3HG2 VAL 30 3HG2 VAL 30 0.446 27.293 4.582 669 H LYS 31 H LYS 31 0.147 27.736 8.900 670 HA LYS 31 HA LYS 31 -2.062 26.945 10.463 671 1HB LYS 31 1HB LYS 31 0.365 26.752 11.103 672 2HB LYS 31 2HB LYS 31 0.364 28.486 11.397 673 1HG LYS 31 1HG LYS 31 -1.313 28.209 13.133 674 2HG LYS 31 2HG LYS 31 -1.371 26.474 12.816 675 1HD LYS 31 1HD LYS 31 0.861 26.176 13.580 676 2HD LYS 31 2HD LYS 31 1.146 27.918 13.623 677 1HE LYS 31 1HE LYS 31 -0.054 28.206 15.559 678 2HE LYS 31 2HE LYS 31 -1.058 26.784 15.274 679 1HZ LYS 31 1HZ LYS 31 0.298 26.056 16.948 680 2HZ LYS 31 2HZ LYS 31 1.634 26.954 16.432 681 3HZ LYS 31 3HZ LYS 31 1.192 25.547 15.605 682 H GLN 32 H GLN 32 -0.629 30.112 9.792 683 HA GLN 32 HA GLN 32 -2.341 31.608 11.462 684 1HB GLN 32 1HB GLN 32 -0.160 32.388 10.478 685 2HB GLN 32 2HB GLN 32 -0.991 32.578 8.941 686 1HG GLN 32 1HG GLN 32 -0.871 34.708 10.001 687 2HG GLN 32 2HG GLN 32 -2.548 34.165 10.040 688 1HE2 GLN 32 1HE2 GLN 32 -3.516 34.612 11.872 689 2HE2 GLN 32 2HE2 GLN 32 -2.788 34.630 13.439 690 H PHE 33 H PHE 33 -2.544 30.748 8.009 691 HA PHE 33 HA PHE 33 -4.872 32.246 7.489 692 1HB PHE 33 1HB PHE 33 -3.657 31.818 5.603 693 2HB PHE 33 2HB PHE 33 -3.256 30.183 6.092 694 HD1 PHE 33 HD1 PHE 33 -6.450 32.022 5.321 695 HD2 PHE 33 HD2 PHE 33 -3.964 28.632 4.660 696 HE1 PHE 33 HE1 PHE 33 -8.100 31.120 3.723 697 HE2 PHE 33 HE2 PHE 33 -5.611 27.718 3.081 698 HZ PHE 33 HZ PHE 33 -7.683 28.956 2.610 699 H PHE 34 H PHE 34 -4.438 28.783 8.223 700 HA PHE 34 HA PHE 34 -7.271 28.351 8.081 701 1HB PHE 34 1HB PHE 34 -4.945 26.589 8.744 702 2HB PHE 34 2HB PHE 34 -6.600 26.044 9.031 703 HD1 PHE 34 HD1 PHE 34 -4.048 25.824 6.756 704 HD2 PHE 34 HD2 PHE 34 -8.193 26.772 6.920 705 HE1 PHE 34 HE1 PHE 34 -4.270 25.269 4.366 706 HE2 PHE 34 HE2 PHE 34 -8.425 26.212 4.539 707 HZ PHE 34 HZ PHE 34 -6.466 25.463 3.255 708 H ASN 35 H ASN 35 -5.006 28.978 10.706 709 HA ASN 35 HA ASN 35 -6.535 28.122 12.867 710 1HB ASN 35 1HB ASN 35 -4.523 30.318 12.550 711 2HB ASN 35 2HB ASN 35 -5.429 30.196 14.054 712 1HD2 ASN 35 1HD2 ASN 35 -4.559 27.368 12.179 713 2HD2 ASN 35 2HD2 ASN 35 -3.386 26.765 13.292 714 H ASP 36 H ASP 36 -6.973 30.870 10.811 715 HA ASP 36 HA ASP 36 -8.685 32.430 12.389 716 1HB ASP 36 1HB ASP 36 -8.645 32.177 9.375 717 2HB ASP 36 2HB ASP 36 -9.364 33.497 10.296 718 H ASN 37 H ASN 37 -9.235 29.415 10.935 719 HA ASN 37 HA ASN 37 -12.154 29.802 11.014 720 1HB ASN 37 1HB ASN 37 -12.412 27.923 9.567 721 2HB ASN 37 2HB ASN 37 -11.148 28.942 8.887 722 1HD2 ASN 37 1HD2 ASN 37 -9.514 27.856 8.115 723 2HD2 ASN 37 2HD2 ASN 37 -8.911 26.350 8.709 724 H GLY 38 H GLY 38 -9.602 28.252 12.718 725 1HA GLY 38 1HA GLY 38 -10.426 27.595 15.002 726 2HA GLY 38 2HA GLY 38 -11.600 26.609 14.151 727 H VAL 39 H VAL 39 -8.458 26.727 12.747 728 HA VAL 39 HA VAL 39 -8.052 23.933 13.452 729 HB VAL 39 HB VAL 39 -6.329 25.669 11.678 730 1HG1 VAL 39 1HG1 VAL 39 -5.863 23.312 10.701 731 2HG1 VAL 39 2HG1 VAL 39 -6.454 22.736 12.260 732 3HG1 VAL 39 3HG1 VAL 39 -5.052 23.803 12.188 733 1HG2 VAL 39 1HG2 VAL 39 -8.819 24.113 11.110 734 2HG2 VAL 39 2HG2 VAL 39 -7.590 24.312 9.862 735 3HG2 VAL 39 3HG2 VAL 39 -8.363 25.729 10.573 736 H ASP 40 H ASP 40 -6.307 23.128 14.612 737 HA ASP 40 HA ASP 40 -4.273 24.937 15.602 738 1HB ASP 40 1HB ASP 40 -6.396 23.747 17.367 739 2HB ASP 40 2HB ASP 40 -4.796 24.111 18.005 740 H GLY 41 H GLY 41 -2.895 23.620 17.319 741 1HA GLY 41 1HA GLY 41 -2.252 21.292 17.892 742 2HA GLY 41 2HA GLY 41 -2.523 20.909 16.198 743 H GLU 42 H GLU 42 -0.467 20.214 15.733 744 HA GLU 42 HA GLU 42 1.507 22.317 15.404 745 1HB GLU 42 1HB GLU 42 2.048 19.845 17.055 746 2HB GLU 42 2HB GLU 42 3.300 20.923 16.455 747 1HG GLU 42 1HG GLU 42 1.934 22.760 17.683 748 2HG GLU 42 2HG GLU 42 1.246 21.396 18.565 749 H TRP 43 H TRP 43 3.276 21.694 14.000 750 HA TRP 43 HA TRP 43 2.381 20.021 11.862 751 1HB TRP 43 1HB TRP 43 4.882 21.613 12.362 752 2HB TRP 43 2HB TRP 43 4.745 20.541 10.970 753 HD1 TRP 43 HD1 TRP 43 3.864 23.972 12.125 754 HE1 TRP 43 HE1 TRP 43 2.458 25.174 10.337 755 HE3 TRP 43 HE3 TRP 43 2.801 19.980 9.115 756 HZ2 TRP 43 HZ2 TRP 43 1.076 24.514 7.962 757 HZ3 TRP 43 HZ3 TRP 43 1.430 20.349 7.105 758 HH2 TRP 43 HH2 TRP 43 0.586 22.570 6.541 759 H THR 44 H THR 44 2.625 17.936 11.653 760 HA THR 44 HA THR 44 4.766 16.611 13.175 761 HB THR 44 HB THR 44 3.345 14.615 13.224 762 HG1 THR 44 HG1 THR 44 1.455 14.528 12.223 763 1HG2 THR 44 1HG2 THR 44 1.716 16.970 14.135 764 2HG2 THR 44 2HG2 THR 44 3.087 16.308 15.025 765 3HG2 THR 44 3HG2 THR 44 1.655 15.317 14.744 766 H TYR 45 H TYR 45 6.092 15.242 12.162 767 HA TYR 45 HA TYR 45 6.306 15.410 9.315 768 1HB TYR 45 1HB TYR 45 7.860 13.994 11.453 769 2HB TYR 45 2HB TYR 45 8.135 13.597 9.759 770 HD1 TYR 45 HD1 TYR 45 8.590 16.104 12.373 771 HD2 TYR 45 HD2 TYR 45 9.067 15.264 8.229 772 HE1 TYR 45 HE1 TYR 45 10.102 18.033 12.160 773 HE2 TYR 45 HE2 TYR 45 10.579 17.189 8.005 774 HH TYR 45 HH TYR 45 12.125 18.512 9.603 775 H ASP 46 H ASP 46 5.964 13.841 7.768 776 HA ASP 46 HA ASP 46 3.867 11.993 8.313 777 1HB ASP 46 1HB ASP 46 5.621 12.375 5.877 778 2HB ASP 46 2HB ASP 46 4.252 11.270 5.938 779 H ASP 47 H ASP 47 3.957 9.674 7.969 780 HA ASP 47 HA ASP 47 6.128 8.458 9.330 781 1HB ASP 47 1HB ASP 47 3.582 7.567 8.122 782 2HB ASP 47 2HB ASP 47 4.846 6.343 8.219 783 H ALA 48 H ALA 48 7.805 7.211 8.595 784 HA ALA 48 HA ALA 48 8.971 7.824 6.146 785 1HB ALA 48 1HB ALA 48 9.458 5.455 7.945 786 2HB ALA 48 2HB ALA 48 10.289 7.010 7.988 787 3HB ALA 48 3HB ALA 48 10.502 5.935 6.606 788 H THR 49 H THR 49 9.013 6.908 4.162 789 HA THR 49 HA THR 49 7.355 4.518 3.708 790 HB THR 49 HB THR 49 7.464 6.970 1.940 791 HG1 THR 49 HG1 THR 49 5.508 7.465 2.724 792 1HG2 THR 49 1HG2 THR 49 7.010 5.239 0.470 793 2HG2 THR 49 2HG2 THR 49 5.410 5.820 0.930 794 3HG2 THR 49 3HG2 THR 49 6.056 4.349 1.657 795 H LYS 50 H LYS 50 7.903 3.297 1.787 796 HA LYS 50 HA LYS 50 10.715 3.674 0.990 797 1HB LYS 50 1HB LYS 50 9.830 1.566 2.368 798 2HB LYS 50 2HB LYS 50 9.430 1.001 0.751 799 1HG LYS 50 1HG LYS 50 11.562 0.585 0.241 800 2HG LYS 50 2HG LYS 50 12.128 2.090 0.971 801 1HD LYS 50 1HD LYS 50 11.216 -0.127 2.747 802 2HD LYS 50 2HD LYS 50 12.803 -0.240 1.984 803 1HE LYS 50 1HE LYS 50 13.160 2.148 2.887 804 2HE LYS 50 2HE LYS 50 11.786 1.797 3.936 805 1HZ LYS 50 1HZ LYS 50 14.480 0.652 3.953 806 2HZ LYS 50 2HZ LYS 50 13.197 -0.346 4.421 807 3HZ LYS 50 3HZ LYS 50 13.488 1.100 5.249 808 H THR 51 H THR 51 11.227 3.664 -1.135 809 HA THR 51 HA THR 51 9.146 2.990 -3.088 810 HB THR 51 HB THR 51 10.703 5.583 -2.950 811 HG1 THR 51 HG1 THR 51 8.656 6.474 -2.882 812 1HG2 THR 51 1HG2 THR 51 8.909 4.684 -5.196 813 2HG2 THR 51 2HG2 THR 51 10.667 4.793 -5.284 814 3HG2 THR 51 3HG2 THR 51 9.705 6.250 -5.035 815 H PHE 52 H PHE 52 9.894 1.712 -4.653 816 HA PHE 52 HA PHE 52 12.695 1.044 -4.734 817 1HB PHE 52 1HB PHE 52 10.881 -0.659 -4.943 818 2HB PHE 52 2HB PHE 52 10.458 0.039 -6.503 819 HD1 PHE 52 HD1 PHE 52 13.176 -1.652 -4.644 820 HD2 PHE 52 HD2 PHE 52 11.607 -0.571 -8.448 821 HE1 PHE 52 HE1 PHE 52 14.840 -3.099 -5.737 822 HE2 PHE 52 HE2 PHE 52 13.267 -2.015 -9.549 823 HZ PHE 52 HZ PHE 52 14.887 -3.281 -8.192 824 H THR 53 H THR 53 14.176 1.894 -6.034 825 HA THR 53 HA THR 53 13.288 3.579 -8.264 826 HB THR 53 HB THR 53 16.001 3.362 -6.940 827 HG1 THR 53 HG1 THR 53 13.965 5.325 -6.753 828 1HG2 THR 53 1HG2 THR 53 16.690 5.262 -8.160 829 2HG2 THR 53 2HG2 THR 53 15.078 5.500 -8.834 830 3HG2 THR 53 3HG2 THR 53 16.046 4.114 -9.333 831 H VAL 54 H VAL 54 13.395 2.817 -10.278 832 HA VAL 54 HA VAL 54 14.506 0.257 -10.844 833 HB VAL 54 HB VAL 54 13.762 2.272 -12.949 834 1HG1 VAL 54 1HG1 VAL 54 12.881 -0.006 -13.918 835 2HG1 VAL 54 2HG1 VAL 54 14.054 -0.687 -12.790 836 3HG1 VAL 54 3HG1 VAL 54 14.585 0.435 -14.043 837 1HG2 VAL 54 1HG2 VAL 54 11.857 2.392 -11.615 838 2HG2 VAL 54 2HG2 VAL 54 11.961 0.696 -11.143 839 3HG2 VAL 54 3HG2 VAL 54 11.456 1.127 -12.777 840 H THR 55 H THR 55 16.164 -0.231 -12.386 841 HA THR 55 HA THR 55 18.036 1.868 -13.088 842 HB THR 55 HB THR 55 18.873 -0.461 -11.355 843 HG1 THR 55 HG1 THR 55 17.877 1.130 -10.130 844 1HG2 THR 55 1HG2 THR 55 21.002 0.984 -11.213 845 2HG2 THR 55 2HG2 THR 55 20.439 1.670 -12.738 846 3HG2 THR 55 3HG2 THR 55 20.762 -0.060 -12.614 847 H GLU 56 H GLU 56 18.236 -1.662 -12.786 848 HA GLU 56 HA GLU 56 18.670 -3.305 -14.298 849 1HB GLU 56 1HB GLU 56 17.516 -1.451 -16.379 850 2HB GLU 56 2HB GLU 56 17.570 -3.208 -16.417 851 1HG GLU 56 1HG GLU 56 15.887 -3.415 -14.817 852 2HG GLU 56 2HG GLU 56 16.064 -1.744 -14.284 853 1H MET 1 1H MET 1 4.464 0.890 8.466 854 2H MET 1 2H MET 1 5.766 -0.017 9.122 855 3H MET 1 3H MET 1 4.611 -0.780 8.106 856 HA MET 1 HA MET 1 6.398 1.402 7.273 857 1HB MET 1 1HB MET 1 7.550 -0.724 7.950 858 2HB MET 1 2HB MET 1 6.615 -1.563 6.720 859 1HG MET 1 1HG MET 1 8.684 -1.155 5.728 860 2HG MET 1 2HG MET 1 7.615 0.076 5.060 861 1HE MET 1 1HE MET 1 9.050 3.132 5.441 862 2HE MET 1 2HE MET 1 7.999 3.018 6.853 863 3HE MET 1 3HE MET 1 7.548 2.211 5.351 864 H GLN 2 H GLN 2 5.416 2.425 5.678 865 HA GLN 2 HA GLN 2 3.461 1.033 4.010 866 1HB GLN 2 1HB GLN 2 2.869 3.229 3.147 867 2HB GLN 2 2HB GLN 2 2.865 3.249 4.904 868 1HG GLN 2 1HG GLN 2 5.375 4.064 4.461 869 2HG GLN 2 2HG GLN 2 4.606 4.662 2.991 870 1HE2 GLN 2 1HE2 GLN 2 3.968 4.509 6.482 871 2HE2 GLN 2 2HE2 GLN 2 3.374 6.126 6.618 872 H TYR 3 H TYR 3 3.943 0.259 2.057 873 HA TYR 3 HA TYR 3 6.504 1.079 0.867 874 1HB TYR 3 1HB TYR 3 4.996 -1.509 0.852 875 2HB TYR 3 2HB TYR 3 6.150 -1.152 -0.429 876 HD1 TYR 3 HD1 TYR 3 5.735 -1.950 3.110 877 HD2 TYR 3 HD2 TYR 3 8.537 -0.978 0.059 878 HE1 TYR 3 HE1 TYR 3 7.569 -2.709 4.561 879 HE2 TYR 3 HE2 TYR 3 10.379 -1.736 1.500 880 HH TYR 3 HH TYR 3 10.747 -1.979 4.042 881 H LYS 4 H LYS 4 6.635 1.876 -1.081 882 HA LYS 4 HA LYS 4 4.160 2.232 -2.636 883 1HB LYS 4 1HB LYS 4 5.740 4.189 -1.774 884 2HB LYS 4 2HB LYS 4 6.627 3.796 -3.239 885 1HG LYS 4 1HG LYS 4 4.510 4.108 -4.519 886 2HG LYS 4 2HG LYS 4 3.761 4.685 -3.030 887 1HD LYS 4 1HD LYS 4 4.421 6.662 -4.032 888 2HD LYS 4 2HD LYS 4 5.783 6.322 -2.963 889 1HE LYS 4 1HE LYS 4 7.108 5.520 -4.751 890 2HE LYS 4 2HE LYS 4 5.722 5.448 -5.839 891 1HZ LYS 4 1HZ LYS 4 5.619 7.816 -5.896 892 2HZ LYS 4 2HZ LYS 4 7.216 7.367 -6.226 893 3HZ LYS 4 3HZ LYS 4 6.805 7.965 -4.699 894 H VAL 5 H VAL 5 3.951 1.219 -4.524 895 HA VAL 5 HA VAL 5 6.359 0.414 -6.000 896 HB VAL 5 HB VAL 5 4.066 -1.489 -5.522 897 1HG1 VAL 5 1HG1 VAL 5 5.193 -1.898 -7.608 898 2HG1 VAL 5 2HG1 VAL 5 5.657 -3.149 -6.454 899 3HG1 VAL 5 3HG1 VAL 5 6.768 -1.827 -6.816 900 1HG2 VAL 5 1HG2 VAL 5 5.055 -1.413 -3.427 901 2HG2 VAL 5 2HG2 VAL 5 6.668 -1.141 -4.088 902 3HG2 VAL 5 3HG2 VAL 5 5.922 -2.734 -4.212 903 H ILE 6 H ILE 6 6.214 0.784 -8.128 904 HA ILE 6 HA ILE 6 3.632 1.644 -9.199 905 HB ILE 6 HB ILE 6 6.277 1.840 -10.621 906 1HG1 ILE 6 1HG1 ILE 6 5.059 3.977 -8.862 907 2HG1 ILE 6 2HG1 ILE 6 6.370 2.922 -8.343 908 1HG2 ILE 6 1HG2 ILE 6 4.442 2.215 -12.066 909 2HG2 ILE 6 2HG2 ILE 6 5.095 3.804 -11.670 910 3HG2 ILE 6 3HG2 ILE 6 3.625 3.233 -10.880 911 1HD1 ILE 6 1HD1 ILE 6 6.390 5.162 -10.288 912 2HD1 ILE 6 2HD1 ILE 6 7.512 3.824 -10.532 913 3HD1 ILE 6 3HD1 ILE 6 7.551 4.744 -9.028 914 H LEU 7 H LEU 7 2.545 0.533 -10.735 915 HA LEU 7 HA LEU 7 3.919 -1.659 -12.119 916 1HB LEU 7 1HB LEU 7 1.568 -1.836 -10.332 917 2HB LEU 7 2HB LEU 7 1.442 -2.720 -11.842 918 HG LEU 7 HG LEU 7 3.922 -3.482 -10.964 919 1HD1 LEU 7 1HD1 LEU 7 3.844 -3.968 -8.645 920 2HD1 LEU 7 2HD1 LEU 7 2.169 -3.429 -8.521 921 3HD1 LEU 7 3HD1 LEU 7 3.453 -2.258 -8.826 922 1HD2 LEU 7 1HD2 LEU 7 2.713 -5.569 -10.181 923 2HD2 LEU 7 2HD2 LEU 7 2.399 -5.057 -11.840 924 3HD2 LEU 7 3HD2 LEU 7 1.212 -4.729 -10.578 925 H ASN 8 H ASN 8 3.730 -1.397 -14.243 926 HA ASN 8 HA ASN 8 1.217 -0.593 -15.427 927 1HB ASN 8 1HB ASN 8 3.655 1.146 -15.448 928 2HB ASN 8 2HB ASN 8 2.584 1.139 -16.845 929 1HD2 ASN 8 1HD2 ASN 8 0.161 1.227 -16.083 930 2HD2 ASN 8 2HD2 ASN 8 -0.179 2.506 -14.971 931 H GLY 9 H GLY 9 4.580 -0.514 -16.544 932 1HA GLY 9 1HA GLY 9 5.314 -2.684 -17.668 933 2HA GLY 9 2HA GLY 9 3.845 -2.484 -18.611 934 H LYS 10 H LYS 10 6.717 -0.594 -17.675 935 HA LYS 10 HA LYS 10 8.101 0.760 -18.867 936 1HB LYS 10 1HB LYS 10 7.022 -0.643 -21.315 937 2HB LYS 10 2HB LYS 10 8.544 0.226 -21.176 938 1HG LYS 10 1HG LYS 10 9.427 -1.440 -19.692 939 2HG LYS 10 2HG LYS 10 7.868 -2.265 -19.628 940 1HD LYS 10 1HD LYS 10 9.235 -3.487 -21.142 941 2HD LYS 10 2HD LYS 10 8.062 -2.597 -22.115 942 1HE LYS 10 1HE LYS 10 9.645 -1.119 -22.911 943 2HE LYS 10 2HE LYS 10 10.721 -1.370 -21.537 944 1HZ LYS 10 1HZ LYS 10 10.433 -2.936 -23.986 945 2HZ LYS 10 2HZ LYS 10 10.797 -3.782 -22.567 946 3HZ LYS 10 3HZ LYS 10 11.826 -2.552 -23.106 947 H THR 11 H THR 11 8.138 2.678 -20.127 948 HA THR 11 HA THR 11 5.466 3.822 -20.525 949 HB THR 11 HB THR 11 6.948 5.990 -20.673 950 HG1 THR 11 HG1 THR 11 8.912 5.829 -19.857 951 1HG2 THR 11 1HG2 THR 11 6.743 4.674 -17.986 952 2HG2 THR 11 2HG2 THR 11 5.361 5.383 -18.822 953 3HG2 THR 11 3HG2 THR 11 6.732 6.396 -18.365 954 H LEU 12 H LEU 12 4.906 4.890 -22.421 955 HA LEU 12 HA LEU 12 4.818 5.253 -24.661 956 1HB LEU 12 1HB LEU 12 7.612 5.721 -23.915 957 2HB LEU 12 2HB LEU 12 7.395 5.320 -25.608 958 HG LEU 12 HG LEU 12 7.397 7.758 -25.169 959 1HD1 LEU 12 1HD1 LEU 12 5.959 8.128 -26.856 960 2HD1 LEU 12 2HD1 LEU 12 4.632 7.293 -26.049 961 3HD1 LEU 12 3HD1 LEU 12 5.865 6.367 -26.903 962 1HD2 LEU 12 1HD2 LEU 12 6.335 7.689 -22.959 963 2HD2 LEU 12 2HD2 LEU 12 4.818 7.196 -23.711 964 3HD2 LEU 12 3HD2 LEU 12 5.498 8.787 -24.058 965 H LYS 13 H LYS 13 4.044 3.645 -25.842 966 HA LYS 13 HA LYS 13 5.855 1.453 -26.594 967 1HB LYS 13 1HB LYS 13 2.970 1.201 -25.729 968 2HB LYS 13 2HB LYS 13 3.877 -0.087 -26.508 969 1HG LYS 13 1HG LYS 13 5.559 0.290 -24.559 970 2HG LYS 13 2HG LYS 13 4.177 1.052 -23.769 971 1HD LYS 13 1HD LYS 13 4.094 -1.714 -24.963 972 2HD LYS 13 2HD LYS 13 4.486 -1.395 -23.272 973 1HE LYS 13 1HE LYS 13 1.998 -0.224 -24.416 974 2HE LYS 13 2HE LYS 13 2.023 -1.943 -24.026 975 1HZ LYS 13 1HZ LYS 13 2.228 0.373 -22.231 976 2HZ LYS 13 2HZ LYS 13 2.972 -1.078 -21.780 977 3HZ LYS 13 3HZ LYS 13 1.306 -1.038 -22.066 978 H GLY 14 H GLY 14 5.480 0.535 -28.656 979 1HA GLY 14 1HA GLY 14 3.392 1.597 -30.348 980 2HA GLY 14 2HA GLY 14 5.001 2.180 -30.752 981 H GLU 15 H GLU 15 4.112 -1.026 -29.567 982 HA GLU 15 HA GLU 15 4.131 -2.305 -32.090 983 1HB GLU 15 1HB GLU 15 6.271 -3.510 -31.894 984 2HB GLU 15 2HB GLU 15 6.508 -1.776 -32.058 985 1HG GLU 15 1HG GLU 15 6.820 -1.621 -29.616 986 2HG GLU 15 2HG GLU 15 6.679 -3.376 -29.515 987 H THR 16 H THR 16 4.162 -4.703 -31.867 988 HA THR 16 HA THR 16 2.433 -5.541 -29.824 989 HB THR 16 HB THR 16 4.221 -7.214 -31.601 990 HG1 THR 16 HG1 THR 16 2.663 -7.093 -33.058 991 1HG2 THR 16 1HG2 THR 16 3.486 -8.759 -30.060 992 2HG2 THR 16 2HG2 THR 16 2.239 -8.842 -31.305 993 3HG2 THR 16 3HG2 THR 16 1.943 -7.941 -29.818 994 H THR 17 H THR 17 2.948 -5.609 -27.734 995 HA THR 17 HA THR 17 5.429 -6.974 -26.960 996 HB THR 17 HB THR 17 5.370 -5.194 -24.995 997 HG1 THR 17 HG1 THR 17 3.832 -3.816 -25.448 998 1HG2 THR 17 1HG2 THR 17 6.599 -4.983 -27.689 999 2HG2 THR 17 2HG2 THR 17 7.357 -5.179 -26.108 1000 3HG2 THR 17 3HG2 THR 17 6.711 -3.609 -26.588 1001 H THR 18 H THR 18 5.382 -8.007 -24.933 1002 HA THR 18 HA THR 18 2.692 -8.727 -24.065 1003 HB THR 18 HB THR 18 4.287 -10.531 -24.555 1004 HG1 THR 18 HG1 THR 18 2.694 -10.742 -22.845 1005 1HG2 THR 18 1HG2 THR 18 5.927 -10.584 -22.301 1006 2HG2 THR 18 2HG2 THR 18 6.082 -8.958 -22.968 1007 3HG2 THR 18 3HG2 THR 18 6.412 -10.363 -23.982 1008 H GLU 19 H GLU 19 1.880 -8.330 -22.050 1009 HA GLU 19 HA GLU 19 3.091 -6.213 -20.551 1010 1HB GLU 19 1HB GLU 19 1.130 -6.350 -19.122 1011 2HB GLU 19 2HB GLU 19 0.649 -6.398 -20.813 1012 1HG GLU 19 1HG GLU 19 -0.022 -8.585 -20.706 1013 2HG GLU 19 2HG GLU 19 1.052 -8.963 -19.360 1014 H ALA 20 H ALA 20 3.477 -6.321 -18.211 1015 HA ALA 20 HA ALA 20 4.254 -8.973 -17.241 1016 1HB ALA 20 1HB ALA 20 6.165 -6.896 -16.506 1017 2HB ALA 20 2HB ALA 20 6.124 -7.245 -18.234 1018 3HB ALA 20 3HB ALA 20 6.440 -8.541 -17.080 1019 H VAL 21 H VAL 21 4.676 -5.645 -16.063 1020 HA VAL 21 HA VAL 21 3.633 -6.436 -13.480 1021 HB VAL 21 HB VAL 21 4.043 -3.973 -12.913 1022 1HG1 VAL 21 1HG1 VAL 21 6.095 -4.540 -12.155 1023 2HG1 VAL 21 2HG1 VAL 21 6.629 -5.146 -13.723 1024 3HG1 VAL 21 3HG1 VAL 21 5.594 -6.142 -12.699 1025 1HG2 VAL 21 1HG2 VAL 21 5.732 -4.013 -15.399 1026 2HG2 VAL 21 2HG2 VAL 21 5.379 -2.655 -14.331 1027 3HG2 VAL 21 3HG2 VAL 21 4.113 -3.314 -15.368 1028 H ASP 22 H ASP 22 1.486 -6.841 -13.814 1029 HA ASP 22 HA ASP 22 -0.202 -4.637 -14.773 1030 1HB ASP 22 1HB ASP 22 -0.475 -6.856 -15.850 1031 2HB ASP 22 2HB ASP 22 -0.921 -7.537 -14.288 1032 H ALA 23 H ALA 23 -1.820 -3.792 -13.585 1033 HA ALA 23 HA ALA 23 -1.538 -3.455 -10.879 1034 1HB ALA 23 1HB ALA 23 -3.215 -2.532 -12.858 1035 2HB ALA 23 2HB ALA 23 -3.217 -2.020 -11.169 1036 3HB ALA 23 3HB ALA 23 -4.315 -3.293 -11.707 1037 H ALA 24 H ALA 24 -3.587 -5.809 -12.565 1038 HA ALA 24 HA ALA 24 -4.798 -6.889 -10.245 1039 1HB ALA 24 1HB ALA 24 -5.545 -8.689 -11.679 1040 2HB ALA 24 2HB ALA 24 -4.379 -8.222 -12.918 1041 3HB ALA 24 3HB ALA 24 -5.719 -7.148 -12.519 1042 H THR 25 H THR 25 -1.809 -7.565 -11.937 1043 HA THR 25 HA THR 25 -1.213 -10.058 -10.773 1044 HB THR 25 HB THR 25 0.552 -7.884 -11.908 1045 HG1 THR 25 HG1 THR 25 -0.305 -10.390 -12.917 1046 1HG2 THR 25 1HG2 THR 25 2.301 -8.901 -10.986 1047 2HG2 THR 25 2HG2 THR 25 1.994 -10.183 -12.160 1048 3HG2 THR 25 3HG2 THR 25 1.354 -10.315 -10.522 1049 H PHE 26 H PHE 26 -0.518 -6.749 -9.782 1050 HA PHE 26 HA PHE 26 1.091 -7.389 -7.547 1051 1HB PHE 26 1HB PHE 26 1.008 -5.137 -8.579 1052 2HB PHE 26 2HB PHE 26 -0.631 -4.937 -7.966 1053 HD1 PHE 26 HD1 PHE 26 2.914 -5.044 -7.099 1054 HD2 PHE 26 HD2 PHE 26 -1.044 -4.569 -5.612 1055 HE1 PHE 26 HE1 PHE 26 3.818 -4.169 -4.985 1056 HE2 PHE 26 HE2 PHE 26 -0.148 -3.691 -3.495 1057 HZ PHE 26 HZ PHE 26 2.286 -3.490 -3.180 1058 H GLU 27 H GLU 27 -2.342 -6.467 -7.752 1059 HA GLU 27 HA GLU 27 -3.001 -6.695 -5.077 1060 1HB GLU 27 1HB GLU 27 -4.696 -7.260 -7.511 1061 2HB GLU 27 2HB GLU 27 -5.332 -7.098 -5.879 1062 1HG GLU 27 1HG GLU 27 -4.828 -4.825 -5.779 1063 2HG GLU 27 2HG GLU 27 -3.705 -4.922 -7.134 1064 H LYS 28 H LYS 28 -3.213 -9.236 -7.572 1065 HA LYS 28 HA LYS 28 -4.231 -11.214 -5.853 1066 1HB LYS 28 1HB LYS 28 -4.350 -11.293 -8.326 1067 2HB LYS 28 2HB LYS 28 -2.620 -11.608 -8.376 1068 1HG LYS 28 1HG LYS 28 -2.974 -13.688 -7.126 1069 2HG LYS 28 2HG LYS 28 -4.711 -13.374 -7.117 1070 1HD LYS 28 1HD LYS 28 -4.480 -14.811 -8.917 1071 2HD LYS 28 2HD LYS 28 -4.437 -13.228 -9.696 1072 1HE LYS 28 1HE LYS 28 -2.004 -13.307 -9.747 1073 2HE LYS 28 2HE LYS 28 -2.023 -14.865 -8.924 1074 1HZ LYS 28 1HZ LYS 28 -2.819 -15.936 -10.782 1075 2HZ LYS 28 2HZ LYS 28 -1.797 -14.782 -11.478 1076 3HZ LYS 28 3HZ LYS 28 -3.469 -14.531 -11.466 1077 H VAL 29 H VAL 29 -0.869 -10.680 -6.977 1078 HA VAL 29 HA VAL 29 0.252 -12.839 -5.582 1079 HB VAL 29 HB VAL 29 1.583 -10.238 -6.347 1080 1HG1 VAL 29 1HG1 VAL 29 2.766 -12.930 -5.669 1081 2HG1 VAL 29 2HG1 VAL 29 2.884 -11.461 -4.698 1082 3HG1 VAL 29 3HG1 VAL 29 3.666 -11.541 -6.278 1083 1HG2 VAL 29 1HG2 VAL 29 1.713 -10.951 -8.461 1084 2HG2 VAL 29 2HG2 VAL 29 0.437 -12.089 -8.026 1085 3HG2 VAL 29 3HG2 VAL 29 2.126 -12.596 -7.973 1086 H VAL 30 H VAL 30 -0.291 -9.487 -4.617 1087 HA VAL 30 HA VAL 30 1.156 -9.661 -2.183 1088 HB VAL 30 HB VAL 30 -1.027 -7.717 -2.954 1089 1HG1 VAL 30 1HG1 VAL 30 -0.629 -7.828 -0.518 1090 2HG1 VAL 30 2HG1 VAL 30 -0.153 -6.280 -1.213 1091 3HG1 VAL 30 3HG1 VAL 30 1.076 -7.476 -0.803 1092 1HG2 VAL 30 1HG2 VAL 30 1.806 -6.905 -2.927 1093 2HG2 VAL 30 2HG2 VAL 30 0.511 -6.474 -4.043 1094 3HG2 VAL 30 3HG2 VAL 30 1.338 -8.023 -4.207 1095 H LYS 31 H LYS 31 -2.330 -9.960 -2.911 1096 HA LYS 31 HA LYS 31 -3.129 -10.304 -0.229 1097 1HB LYS 31 1HB LYS 31 -4.626 -9.757 -2.183 1098 2HB LYS 31 2HB LYS 31 -4.487 -11.439 -2.678 1099 1HG LYS 31 1HG LYS 31 -5.509 -12.157 -0.592 1100 2HG LYS 31 2HG LYS 31 -5.611 -10.479 -0.053 1101 1HD LYS 31 1HD LYS 31 -7.183 -9.939 -1.749 1102 2HD LYS 31 2HD LYS 31 -6.906 -11.468 -2.585 1103 1HE LYS 31 1HE LYS 31 -8.145 -12.675 -1.074 1104 2HE LYS 31 2HE LYS 31 -7.868 -11.525 0.233 1105 1HZ LYS 31 1HZ LYS 31 -10.039 -11.099 -0.284 1106 2HZ LYS 31 2HZ LYS 31 -9.848 -11.439 -1.930 1107 3HZ LYS 31 3HZ LYS 31 -9.278 -9.978 -1.298 1108 H GLN 32 H GLN 32 -2.286 -12.611 -2.780 1109 HA GLN 32 HA GLN 32 -2.817 -14.949 -1.293 1110 1HB GLN 32 1HB GLN 32 -2.533 -14.795 -3.791 1111 2HB GLN 32 2HB GLN 32 -0.800 -14.659 -3.522 1112 1HG GLN 32 1HG GLN 32 -1.308 -16.922 -4.071 1113 2HG GLN 32 2HG GLN 32 -0.860 -16.850 -2.368 1114 1HE2 GLN 32 1HE2 GLN 32 -2.054 -18.111 -1.153 1115 2HE2 GLN 32 2HE2 GLN 32 -3.730 -18.469 -1.381 1116 H PHE 33 H PHE 33 0.163 -13.047 -1.752 1117 HA PHE 33 HA PHE 33 1.829 -14.800 -0.307 1118 1HB PHE 33 1HB PHE 33 2.991 -13.483 -1.767 1119 2HB PHE 33 2HB PHE 33 2.016 -12.061 -1.442 1120 HD1 PHE 33 HD1 PHE 33 4.301 -14.246 0.603 1121 HD2 PHE 33 HD2 PHE 33 3.193 -10.338 -0.666 1122 HE1 PHE 33 HE1 PHE 33 6.121 -13.286 1.965 1123 HE2 PHE 33 HE2 PHE 33 4.994 -9.373 0.702 1124 HZ PHE 33 HZ PHE 33 6.459 -10.840 2.022 1125 H PHE 34 H PHE 34 0.189 -11.790 0.678 1126 HA PHE 34 HA PHE 34 1.236 -12.035 3.337 1127 1HB PHE 34 1HB PHE 34 -0.619 -10.090 2.023 1128 2HB PHE 34 2HB PHE 34 -0.409 -10.092 3.775 1129 HD1 PHE 34 HD1 PHE 34 0.670 -8.506 0.937 1130 HD2 PHE 34 HD2 PHE 34 2.243 -10.432 4.391 1131 HE1 PHE 34 HE1 PHE 34 2.775 -7.251 0.679 1132 HE2 PHE 34 HE2 PHE 34 4.341 -9.178 4.146 1133 HZ PHE 34 HZ PHE 34 4.614 -7.589 2.291 1134 H ASN 35 H ASN 35 -1.795 -12.946 1.796 1135 HA ASN 35 HA ASN 35 -3.396 -13.265 4.051 1136 1HB ASN 35 1HB ASN 35 -3.316 -14.669 1.406 1137 2HB ASN 35 2HB ASN 35 -4.373 -15.284 2.673 1138 1HD2 ASN 35 1HD2 ASN 35 -3.671 -11.869 2.341 1139 2HD2 ASN 35 2HD2 ASN 35 -5.242 -11.412 1.793 1140 H ASP 36 H ASP 36 -0.730 -15.178 2.952 1141 HA ASP 36 HA ASP 36 -1.164 -17.543 4.392 1142 1HB ASP 36 1HB ASP 36 1.479 -16.291 3.624 1143 2HB ASP 36 2HB ASP 36 1.219 -17.976 4.069 1144 H ASN 37 H ASN 37 -0.368 -14.444 5.519 1145 HA ASN 37 HA ASN 37 0.711 -15.529 8.033 1146 1HB ASN 37 1HB ASN 37 1.659 -13.393 8.512 1147 2HB ASN 37 2HB ASN 37 2.057 -13.786 6.842 1148 1HD2 ASN 37 1HD2 ASN 37 1.904 -12.138 5.535 1149 2HD2 ASN 37 2HD2 ASN 37 0.790 -10.825 5.663 1150 H GLY 38 H GLY 38 -2.116 -14.070 6.731 1151 1HA GLY 38 1HA GLY 38 -4.034 -14.448 8.321 1152 2HA GLY 38 2HA GLY 38 -3.075 -13.543 9.478 1153 H VAL 39 H VAL 39 -2.918 -12.418 6.231 1154 HA VAL 39 HA VAL 39 -4.369 -10.018 7.002 1155 HB VAL 39 HB VAL 39 -2.986 -10.589 4.377 1156 1HG1 VAL 39 1HG1 VAL 39 -2.831 -8.000 4.496 1157 2HG1 VAL 39 2HG1 VAL 39 -4.165 -8.148 5.640 1158 3HG1 VAL 39 3HG1 VAL 39 -4.344 -8.754 3.994 1159 1HG2 VAL 39 1HG2 VAL 39 -1.937 -9.588 6.992 1160 2HG2 VAL 39 2HG2 VAL 39 -1.215 -9.042 5.478 1161 3HG2 VAL 39 3HG2 VAL 39 -1.233 -10.760 5.878 1162 H ASP 40 H ASP 40 -6.240 -9.256 6.022 1163 HA ASP 40 HA ASP 40 -7.443 -10.747 3.851 1164 1HB ASP 40 1HB ASP 40 -8.541 -10.770 6.648 1165 2HB ASP 40 2HB ASP 40 -9.613 -10.930 5.260 1166 H GLY 41 H GLY 41 -9.802 -9.795 3.529 1167 1HA GLY 41 1HA GLY 41 -11.107 -7.716 3.895 1168 2HA GLY 41 2HA GLY 41 -9.575 -6.861 3.809 1169 H GLU 42 H GLU 42 -10.067 -5.573 2.069 1170 HA GLU 42 HA GLU 42 -9.985 -6.898 -0.514 1171 1HB GLU 42 1HB GLU 42 -12.252 -5.068 0.287 1172 2HB GLU 42 2HB GLU 42 -11.912 -5.553 -1.368 1173 1HG GLU 42 1HG GLU 42 -12.091 -7.964 -0.412 1174 2HG GLU 42 2HG GLU 42 -12.961 -7.175 0.902 1175 H TRP 43 H TRP 43 -9.504 -5.430 -2.275 1176 HA TRP 43 HA TRP 43 -7.653 -3.403 -1.482 1177 1HB TRP 43 1HB TRP 43 -8.628 -4.414 -4.139 1178 2HB TRP 43 2HB TRP 43 -7.583 -3.001 -4.030 1179 HD1 TRP 43 HD1 TRP 43 -7.480 -6.724 -4.091 1180 HE1 TRP 43 HE1 TRP 43 -5.073 -7.550 -3.722 1181 HE3 TRP 43 HE3 TRP 43 -5.340 -2.330 -2.593 1182 HZ2 TRP 43 HZ2 TRP 43 -2.590 -6.479 -2.901 1183 HZ3 TRP 43 HZ3 TRP 43 -2.944 -2.316 -2.033 1184 HH2 TRP 43 HH2 TRP 43 -1.599 -4.348 -2.183 1185 H THR 44 H THR 44 -8.051 -1.376 -1.047 1186 HA THR 44 HA THR 44 -10.514 -0.167 -2.109 1187 HB THR 44 HB THR 44 -10.515 1.289 -0.138 1188 HG1 THR 44 HG1 THR 44 -8.945 1.254 1.314 1189 1HG2 THR 44 1HG2 THR 44 -10.187 -1.556 0.768 1190 2HG2 THR 44 2HG2 THR 44 -11.647 -0.914 0.015 1191 3HG2 THR 44 3HG2 THR 44 -11.096 -0.272 1.563 1192 H TYR 45 H TYR 45 -10.404 1.741 -3.118 1193 HA TYR 45 HA TYR 45 -7.876 2.600 -4.138 1194 1HB TYR 45 1HB TYR 45 -10.701 3.544 -4.474 1195 2HB TYR 45 2HB TYR 45 -9.368 4.545 -5.045 1196 HD1 TYR 45 HD1 TYR 45 -11.295 1.499 -5.609 1197 HD2 TYR 45 HD2 TYR 45 -7.922 3.767 -6.860 1198 HE1 TYR 45 HE1 TYR 45 -11.187 0.183 -7.686 1199 HE2 TYR 45 HE2 TYR 45 -7.802 2.462 -8.938 1200 HH TYR 45 HH TYR 45 -9.536 1.094 -10.355 1201 H ASP 46 H ASP 46 -6.732 4.467 -3.718 1202 HA ASP 46 HA ASP 46 -6.901 5.456 -1.054 1203 1HB ASP 46 1HB ASP 46 -5.251 6.354 -3.425 1204 2HB ASP 46 2HB ASP 46 -5.071 7.006 -1.799 1205 H ASP 47 H ASP 47 -7.178 7.701 -0.435 1206 HA ASP 47 HA ASP 47 -9.479 8.876 -1.608 1207 1HB ASP 47 1HB ASP 47 -7.679 9.477 0.659 1208 2HB ASP 47 2HB ASP 47 -8.514 10.865 -0.035 1209 H ALA 48 H ALA 48 -9.714 10.667 -2.895 1210 HA ALA 48 HA ALA 48 -7.784 11.212 -4.818 1211 1HB ALA 48 1HB ALA 48 -10.131 12.895 -3.958 1212 2HB ALA 48 2HB ALA 48 -10.118 11.657 -5.214 1213 3HB ALA 48 3HB ALA 48 -9.196 13.145 -5.432 1214 H THR 49 H THR 49 -6.221 12.716 -5.084 1215 HA THR 49 HA THR 49 -5.778 14.644 -2.906 1216 HB THR 49 HB THR 49 -3.639 13.040 -4.319 1217 HG1 THR 49 HG1 THR 49 -3.526 11.844 -2.523 1218 1HG2 THR 49 1HG2 THR 49 -2.568 15.006 -3.720 1219 2HG2 THR 49 2HG2 THR 49 -2.259 13.933 -2.355 1220 3HG2 THR 49 3HG2 THR 49 -3.503 15.177 -2.234 1221 H LYS 50 H LYS 50 -4.547 16.538 -3.505 1222 HA LYS 50 HA LYS 50 -4.767 17.145 -6.382 1223 1HB LYS 50 1HB LYS 50 -6.187 18.381 -4.491 1224 2HB LYS 50 2HB LYS 50 -4.719 19.339 -4.367 1225 1HG LYS 50 1HG LYS 50 -5.123 20.420 -6.276 1226 2HG LYS 50 2HG LYS 50 -5.625 18.950 -7.113 1227 1HD LYS 50 1HD LYS 50 -7.427 20.145 -5.053 1228 2HD LYS 50 2HD LYS 50 -7.340 20.882 -6.654 1229 1HE LYS 50 1HE LYS 50 -7.716 18.489 -7.534 1230 2HE LYS 50 2HE LYS 50 -8.246 18.127 -5.892 1231 1HZ LYS 50 1HZ LYS 50 -9.511 19.805 -7.928 1232 2HZ LYS 50 2HZ LYS 50 -9.703 20.254 -6.309 1233 3HZ LYS 50 3HZ LYS 50 -10.214 18.728 -6.830 1234 H THR 51 H THR 51 -3.043 18.002 -7.421 1235 HA THR 51 HA THR 51 -0.690 18.772 -5.851 1236 HB THR 51 HB THR 51 -0.756 16.738 -8.093 1237 HG1 THR 51 HG1 THR 51 0.144 15.418 -6.528 1238 1HG2 THR 51 1HG2 THR 51 1.701 17.885 -6.781 1239 2HG2 THR 51 2HG2 THR 51 1.171 18.242 -8.426 1240 3HG2 THR 51 3HG2 THR 51 1.644 16.601 -7.987 1241 H PHE 52 H PHE 52 0.140 20.644 -6.513 1242 HA PHE 52 HA PHE 52 -0.955 21.958 -8.831 1243 1HB PHE 52 1HB PHE 52 -0.520 23.138 -6.674 1244 2HB PHE 52 2HB PHE 52 1.206 22.924 -6.949 1245 HD1 PHE 52 HD1 PHE 52 -1.848 24.503 -8.319 1246 HD2 PHE 52 HD2 PHE 52 2.407 24.412 -8.302 1247 HE1 PHE 52 HE1 PHE 52 -1.801 26.593 -9.618 1248 HE2 PHE 52 HE2 PHE 52 2.461 26.501 -9.600 1249 HZ PHE 52 HZ PHE 52 0.356 27.594 -10.259 1250 H THR 53 H THR 53 -0.112 21.986 -10.803 1251 HA THR 53 HA THR 53 2.620 20.991 -11.178 1252 HB THR 53 HB THR 53 0.394 21.398 -13.189 1253 HG1 THR 53 HG1 THR 53 1.435 19.059 -11.974 1254 1HG2 THR 53 1HG2 THR 53 1.699 20.247 -14.787 1255 2HG2 THR 53 2HG2 THR 53 2.951 19.879 -13.601 1256 3HG2 THR 53 3HG2 THR 53 2.708 21.540 -14.140 1257 H VAL 54 H VAL 54 4.216 22.391 -11.558 1258 HA VAL 54 HA VAL 54 3.716 25.179 -11.838 1259 HB VAL 54 HB VAL 54 6.361 23.876 -12.430 1260 1HG1 VAL 54 1HG1 VAL 54 7.022 26.057 -11.133 1261 2HG1 VAL 54 2HG1 VAL 54 5.414 26.583 -11.630 1262 3HG1 VAL 54 3HG1 VAL 54 6.603 26.118 -12.845 1263 1HG2 VAL 54 1HG2 VAL 54 5.886 22.854 -10.395 1264 2HG2 VAL 54 2HG2 VAL 54 5.009 24.257 -9.783 1265 3HG2 VAL 54 3HG2 VAL 54 6.767 24.305 -9.916 1266 H THR 55 H THR 55 4.391 26.547 -13.584 1267 HA THR 55 HA THR 55 4.841 25.327 -16.176 1268 HB THR 55 HB THR 55 2.426 27.068 -15.662 1269 HG1 THR 55 HG1 THR 55 2.050 24.971 -14.979 1270 1HG2 THR 55 1HG2 THR 55 1.870 26.224 -18.035 1271 2HG2 THR 55 2HG2 THR 55 3.612 25.981 -18.174 1272 3HG2 THR 55 3HG2 THR 55 2.968 27.589 -17.839 1273 H GLU 56 H GLU 56 3.662 28.488 -15.071 1274 HA GLU 56 HA GLU 56 4.481 30.597 -15.314 1275 1HB GLU 56 1HB GLU 56 7.214 29.328 -15.470 1276 2HB GLU 56 2HB GLU 56 6.811 30.952 -14.928 1277 1HG GLU 56 1HG GLU 56 5.930 30.191 -12.910 1278 2HG GLU 56 2HG GLU 56 5.777 28.536 -13.497 1279 1H MET 1 1H MET 1 1.036 3.446 -12.026 1280 2H MET 1 2H MET 1 0.065 2.398 -12.976 1281 3H MET 1 3H MET 1 1.450 1.789 -12.165 1282 HA MET 1 HA MET 1 -0.896 2.952 -10.829 1283 1HB MET 1 1HB MET 1 -1.347 0.863 -12.153 1284 2HB MET 1 2HB MET 1 -0.146 0.043 -11.165 1285 1HG MET 1 1HG MET 1 -2.200 -0.519 -10.214 1286 2HG MET 1 2HG MET 1 -1.541 0.732 -9.162 1287 1HE MET 1 1HE MET 1 -3.873 3.170 -8.727 1288 2HE MET 1 2HE MET 1 -2.889 3.797 -10.049 1289 3HE MET 1 3HE MET 1 -2.158 2.769 -8.816 1290 H GLN 2 H GLN 2 -0.206 3.728 -8.964 1291 HA GLN 2 HA GLN 2 2.159 2.591 -7.675 1292 1HB GLN 2 1HB GLN 2 2.076 4.514 -6.186 1293 2HB GLN 2 2HB GLN 2 1.996 5.041 -7.860 1294 1HG GLN 2 1HG GLN 2 -0.622 4.869 -7.322 1295 2HG GLN 2 2HG GLN 2 -0.007 5.234 -5.710 1296 1HE2 GLN 2 1HE2 GLN 2 0.497 6.284 -9.066 1297 2HE2 GLN 2 2HE2 GLN 2 0.545 7.974 -8.711 1298 H TYR 3 H TYR 3 2.032 1.177 -6.055 1299 HA TYR 3 HA TYR 3 -0.597 0.780 -4.803 1300 1HB TYR 3 1HB TYR 3 1.638 -1.100 -5.465 1301 2HB TYR 3 2HB TYR 3 0.491 -1.506 -4.193 1302 HD1 TYR 3 HD1 TYR 3 0.973 -1.084 -7.786 1303 HD2 TYR 3 HD2 TYR 3 -1.856 -1.936 -4.726 1304 HE1 TYR 3 HE1 TYR 3 -0.600 -1.918 -9.481 1305 HE2 TYR 3 HE2 TYR 3 -3.437 -2.775 -6.411 1306 HH TYR 3 HH TYR 3 -3.824 -2.383 -8.928 1307 H LYS 4 H LYS 4 -0.878 0.899 -2.717 1308 HA LYS 4 HA LYS 4 1.437 1.541 -1.011 1309 1HB LYS 4 1HB LYS 4 -0.715 3.069 -1.345 1310 2HB LYS 4 2HB LYS 4 -1.360 2.017 -0.094 1311 1HG LYS 4 1HG LYS 4 0.618 2.596 1.311 1312 2HG LYS 4 2HG LYS 4 1.071 3.780 0.082 1313 1HD LYS 4 1HD LYS 4 -0.120 5.070 1.592 1314 2HD LYS 4 2HD LYS 4 -1.354 4.655 0.402 1315 1HE LYS 4 1HE LYS 4 -2.283 2.994 1.807 1316 2HE LYS 4 2HE LYS 4 -0.900 3.043 2.899 1317 1HZ LYS 4 1HZ LYS 4 -1.541 5.200 3.645 1318 2HZ LYS 4 2HZ LYS 4 -2.902 4.201 3.746 1319 3HZ LYS 4 3HZ LYS 4 -2.764 5.315 2.481 1320 H VAL 5 H VAL 5 2.039 0.146 0.513 1321 HA VAL 5 HA VAL 5 0.072 -1.758 1.580 1322 HB VAL 5 HB VAL 5 2.817 -2.636 0.684 1323 1HG1 VAL 5 1HG1 VAL 5 1.973 -3.961 2.502 1324 2HG1 VAL 5 2HG1 VAL 5 1.851 -4.901 1.015 1325 3HG1 VAL 5 3HG1 VAL 5 0.412 -4.144 1.700 1326 1HG2 VAL 5 1HG2 VAL 5 1.760 -2.270 -1.346 1327 2HG2 VAL 5 2HG2 VAL 5 0.172 -2.705 -0.714 1328 3HG2 VAL 5 3HG2 VAL 5 1.374 -3.959 -1.017 1329 H ILE 6 H ILE 6 0.193 -1.996 3.729 1330 HA ILE 6 HA ILE 6 2.423 -0.722 5.127 1331 HB ILE 6 HB ILE 6 -0.087 -1.779 6.410 1332 1HG1 ILE 6 1HG1 ILE 6 0.328 1.043 5.402 1333 2HG1 ILE 6 2HG1 ILE 6 -0.616 -0.169 4.542 1334 1HG2 ILE 6 1HG2 ILE 6 1.610 -1.289 7.989 1335 2HG2 ILE 6 2HG2 ILE 6 0.469 0.055 8.044 1336 3HG2 ILE 6 3HG2 ILE 6 2.004 0.236 7.195 1337 1HD1 ILE 6 1HD1 ILE 6 -1.233 1.295 7.050 1338 2HD1 ILE 6 2HD1 ILE 6 -1.878 -0.333 6.841 1339 3HD1 ILE 6 3HD1 ILE 6 -2.266 0.925 5.668 1340 H LEU 7 H LEU 7 3.871 -1.835 6.319 1341 HA LEU 7 HA LEU 7 3.314 -4.646 6.952 1342 1HB LEU 7 1HB LEU 7 5.517 -3.563 5.300 1343 2HB LEU 7 2HB LEU 7 5.978 -4.763 6.492 1344 HG LEU 7 HG LEU 7 3.814 -5.961 5.316 1345 1HD1 LEU 7 1HD1 LEU 7 3.936 -5.708 2.960 1346 2HD1 LEU 7 2HD1 LEU 7 5.356 -4.669 3.079 1347 3HD1 LEU 7 3HD1 LEU 7 3.789 -4.090 3.645 1348 1HD2 LEU 7 1HD2 LEU 7 5.575 -7.253 4.019 1349 2HD2 LEU 7 2HD2 LEU 7 5.779 -7.180 5.770 1350 3HD2 LEU 7 3HD2 LEU 7 6.757 -6.149 4.726 1351 H ASN 8 H ASN 8 3.520 -4.961 9.065 1352 HA ASN 8 HA ASN 8 5.710 -3.777 10.539 1353 1HB ASN 8 1HB ASN 8 2.851 -2.986 10.945 1354 2HB ASN 8 2HB ASN 8 3.929 -3.061 12.334 1355 1HD2 ASN 8 1HD2 ASN 8 6.167 -2.002 11.753 1356 2HD2 ASN 8 2HD2 ASN 8 6.039 -0.417 11.081 1357 H GLY 9 H GLY 9 2.566 -5.086 11.519 1358 1HA GLY 9 1HA GLY 9 3.323 -7.725 11.970 1359 2HA GLY 9 2HA GLY 9 3.689 -6.837 13.443 1360 H LYS 10 H LYS 10 1.134 -7.850 11.262 1361 HA LYS 10 HA LYS 10 -0.874 -7.068 13.254 1362 1HB LYS 10 1HB LYS 10 -1.036 -6.386 10.780 1363 2HB LYS 10 2HB LYS 10 -1.460 -8.065 10.476 1364 1HG LYS 10 1HG LYS 10 -3.507 -6.974 10.648 1365 2HG LYS 10 2HG LYS 10 -3.290 -7.732 12.227 1366 1HD LYS 10 1HD LYS 10 -2.387 -5.565 13.067 1367 2HD LYS 10 2HD LYS 10 -2.803 -4.842 11.512 1368 1HE LYS 10 1HE LYS 10 -4.749 -4.348 12.519 1369 2HE LYS 10 2HE LYS 10 -5.148 -6.031 12.177 1370 1HZ LYS 10 1HZ LYS 10 -5.540 -5.307 14.515 1371 2HZ LYS 10 2HZ LYS 10 -3.867 -5.140 14.699 1372 3HZ LYS 10 3HZ LYS 10 -4.533 -6.659 14.364 1373 H THR 11 H THR 11 -0.589 -8.770 14.712 1374 HA THR 11 HA THR 11 -1.742 -11.306 13.811 1375 HB THR 11 HB THR 11 -0.002 -12.376 15.465 1376 HG1 THR 11 HG1 THR 11 0.983 -10.476 16.127 1377 1HG2 THR 11 1HG2 THR 11 1.358 -11.568 12.975 1378 2HG2 THR 11 2HG2 THR 11 -0.170 -12.432 12.810 1379 3HG2 THR 11 3HG2 THR 11 1.164 -13.162 13.704 1380 H LEU 12 H LEU 12 -2.890 -12.438 15.381 1381 HA LEU 12 HA LEU 12 -3.918 -10.829 17.524 1382 1HB LEU 12 1HB LEU 12 -4.520 -13.502 16.365 1383 2HB LEU 12 2HB LEU 12 -5.040 -13.200 18.012 1384 HG LEU 12 HG LEU 12 -5.746 -11.163 15.964 1385 1HD1 LEU 12 1HD1 LEU 12 -6.671 -13.973 15.934 1386 2HD1 LEU 12 2HD1 LEU 12 -6.535 -12.806 14.618 1387 3HD1 LEU 12 3HD1 LEU 12 -7.896 -12.720 15.736 1388 1HD2 LEU 12 1HD2 LEU 12 -6.580 -10.544 17.997 1389 2HD2 LEU 12 2HD2 LEU 12 -6.797 -12.208 18.541 1390 3HD2 LEU 12 3HD2 LEU 12 -7.936 -11.499 17.397 1391 H LYS 13 H LYS 13 -4.283 -12.149 19.701 1392 HA LYS 13 HA LYS 13 -3.364 -12.917 21.633 1393 1HB LYS 13 1HB LYS 13 -1.381 -14.308 19.824 1394 2HB LYS 13 2HB LYS 13 -1.686 -14.684 21.513 1395 1HG LYS 13 1HG LYS 13 -3.818 -15.556 21.047 1396 2HG LYS 13 2HG LYS 13 -3.838 -14.852 19.428 1397 1HD LYS 13 1HD LYS 13 -2.263 -16.404 18.620 1398 2HD LYS 13 2HD LYS 13 -1.801 -16.904 20.247 1399 1HE LYS 13 1HE LYS 13 -3.768 -18.123 20.559 1400 2HE LYS 13 2HE LYS 13 -4.598 -17.293 19.243 1401 1HZ LYS 13 1HZ LYS 13 -2.615 -19.461 19.110 1402 2HZ LYS 13 2HZ LYS 13 -2.767 -18.394 17.807 1403 3HZ LYS 13 3HZ LYS 13 -4.097 -19.313 18.305 1404 H GLY 14 H GLY 14 -2.052 -12.016 23.117 1405 1HA GLY 14 1HA GLY 14 -0.374 -9.863 22.383 1406 2HA GLY 14 2HA GLY 14 -0.508 -10.558 23.990 1407 H GLU 15 H GLU 15 1.820 -9.617 22.335 1408 HA GLU 15 HA GLU 15 3.995 -10.186 22.009 1409 1HB GLU 15 1HB GLU 15 3.261 -12.408 23.922 1410 2HB GLU 15 2HB GLU 15 4.904 -12.041 23.415 1411 1HG GLU 15 1HG GLU 15 4.786 -9.867 24.439 1412 2HG GLU 15 2HG GLU 15 3.086 -10.111 24.840 1413 H THR 16 H THR 16 3.290 -10.653 19.785 1414 HA THR 16 HA THR 16 2.780 -13.330 18.959 1415 HB THR 16 HB THR 16 2.024 -11.362 17.675 1416 HG1 THR 16 HG1 THR 16 2.071 -13.032 16.350 1417 1HG2 THR 16 1HG2 THR 16 4.804 -11.014 16.638 1418 2HG2 THR 16 2HG2 THR 16 4.223 -10.089 18.023 1419 3HG2 THR 16 3HG2 THR 16 3.406 -9.954 16.466 1420 H THR 17 H THR 17 5.656 -11.342 19.236 1421 HA THR 17 HA THR 17 7.870 -11.851 19.205 1422 HB THR 17 HB THR 17 7.027 -14.751 19.060 1423 HG1 THR 17 HG1 THR 17 7.008 -14.715 21.273 1424 1HG2 THR 17 1HG2 THR 17 9.538 -13.482 20.126 1425 2HG2 THR 17 2HG2 THR 17 9.398 -14.430 18.645 1426 3HG2 THR 17 3HG2 THR 17 9.125 -15.195 20.212 1427 H THR 18 H THR 18 6.494 -14.439 17.166 1428 HA THR 18 HA THR 18 8.475 -14.162 15.166 1429 HB THR 18 HB THR 18 6.784 -15.529 13.789 1430 HG1 THR 18 HG1 THR 18 4.987 -16.177 14.764 1431 1HG2 THR 18 1HG2 THR 18 7.191 -17.001 16.305 1432 2HG2 THR 18 2HG2 THR 18 8.637 -16.355 15.529 1433 3HG2 THR 18 3HG2 THR 18 7.576 -17.452 14.644 1434 H GLU 19 H GLU 19 8.703 -12.376 13.986 1435 HA GLU 19 HA GLU 19 6.578 -10.570 13.429 1436 1HB GLU 19 1HB GLU 19 9.445 -10.797 12.620 1437 2HB GLU 19 2HB GLU 19 8.398 -9.703 11.726 1438 1HG GLU 19 1HG GLU 19 7.815 -8.595 13.863 1439 2HG GLU 19 2HG GLU 19 8.987 -9.632 14.676 1440 H ALA 20 H ALA 20 5.017 -10.865 11.990 1441 HA ALA 20 HA ALA 20 5.261 -12.818 9.886 1442 1HB ALA 20 1HB ALA 20 3.136 -12.799 10.819 1443 2HB ALA 20 2HB ALA 20 2.916 -11.897 9.320 1444 3HB ALA 20 3HB ALA 20 3.060 -11.038 10.853 1445 H VAL 21 H VAL 21 3.943 -9.551 9.581 1446 HA VAL 21 HA VAL 21 5.106 -9.314 6.937 1447 HB VAL 21 HB VAL 21 3.960 -7.016 7.010 1448 1HG1 VAL 21 1HG1 VAL 21 2.144 -7.943 6.026 1449 2HG1 VAL 21 2HG1 VAL 21 1.883 -9.096 7.335 1450 3HG1 VAL 21 3HG1 VAL 21 3.135 -9.398 6.130 1451 1HG2 VAL 21 1HG2 VAL 21 2.442 -8.232 9.305 1452 2HG2 VAL 21 2HG2 VAL 21 2.314 -6.601 8.648 1453 3HG2 VAL 21 3HG2 VAL 21 3.759 -7.082 9.539 1454 H ASP 22 H ASP 22 7.286 -9.087 7.208 1455 HA ASP 22 HA ASP 22 8.261 -6.841 8.832 1456 1HB ASP 22 1HB ASP 22 9.256 -9.078 9.236 1457 2HB ASP 22 2HB ASP 22 9.813 -9.110 7.565 1458 H ALA 23 H ALA 23 9.481 -5.235 8.015 1459 HA ALA 23 HA ALA 23 8.982 -4.236 5.510 1460 1HB ALA 23 1HB ALA 23 10.375 -3.446 7.750 1461 2HB ALA 23 2HB ALA 23 10.143 -2.497 6.279 1462 3HB ALA 23 3HB ALA 23 11.606 -3.464 6.485 1463 H ALA 24 H ALA 24 11.739 -6.217 6.544 1464 HA ALA 24 HA ALA 24 13.119 -6.146 4.073 1465 1HB ALA 24 1HB ALA 24 14.449 -7.965 4.961 1466 2HB ALA 24 2HB ALA 24 13.257 -8.251 6.229 1467 3HB ALA 24 3HB ALA 24 14.182 -6.750 6.211 1468 H THR 25 H THR 25 10.568 -8.175 5.348 1469 HA THR 25 HA THR 25 10.725 -10.281 3.486 1470 HB THR 25 HB THR 25 8.426 -9.190 5.115 1471 HG1 THR 25 HG1 THR 25 10.054 -11.492 5.394 1472 1HG2 THR 25 1HG2 THR 25 7.039 -10.383 3.855 1473 2HG2 THR 25 2HG2 THR 25 7.781 -11.791 4.619 1474 3HG2 THR 25 3HG2 THR 25 8.355 -11.236 3.046 1475 H PHE 26 H PHE 26 8.994 -7.212 3.461 1476 HA PHE 26 HA PHE 26 7.561 -7.644 1.061 1477 1HB PHE 26 1HB PHE 26 6.985 -5.878 2.701 1478 2HB PHE 26 2HB PHE 26 8.450 -5.010 2.255 1479 HD1 PHE 26 HD1 PHE 26 5.078 -5.956 1.222 1480 HD2 PHE 26 HD2 PHE 26 8.622 -3.869 0.128 1481 HE1 PHE 26 HE1 PHE 26 3.852 -4.830 -0.591 1482 HE2 PHE 26 HE2 PHE 26 7.402 -2.738 -1.685 1483 HZ PHE 26 HZ PHE 26 5.014 -3.219 -2.047 1484 H GLU 27 H GLU 27 10.544 -5.805 1.689 1485 HA GLU 27 HA GLU 27 11.114 -5.030 -0.903 1486 1HB GLU 27 1HB GLU 27 13.012 -5.719 1.342 1487 2HB GLU 27 2HB GLU 27 13.490 -4.904 -0.141 1488 1HG GLU 27 1HG GLU 27 12.301 -2.973 0.394 1489 2HG GLU 27 2HG GLU 27 11.329 -3.800 1.610 1490 H LYS 28 H LYS 28 12.222 -7.987 0.757 1491 HA LYS 28 HA LYS 28 13.723 -8.964 -1.410 1492 1HB LYS 28 1HB LYS 28 13.974 -9.717 0.937 1493 2HB LYS 28 2HB LYS 28 12.431 -10.550 0.812 1494 1HG LYS 28 1HG LYS 28 13.350 -11.965 -0.965 1495 2HG LYS 28 2HG LYS 28 14.903 -11.141 -0.805 1496 1HD LYS 28 1HD LYS 28 15.212 -13.036 0.490 1497 2HD LYS 28 2HD LYS 28 14.726 -11.836 1.689 1498 1HE LYS 28 1HE LYS 28 12.441 -12.669 1.620 1499 2HE LYS 28 2HE LYS 28 12.887 -13.834 0.374 1500 1HZ LYS 28 1HZ LYS 28 14.072 -15.105 1.865 1501 2HZ LYS 28 2HZ LYS 28 12.783 -14.581 2.825 1502 3HZ LYS 28 3HZ LYS 28 14.294 -13.835 2.960 1503 H VAL 29 H VAL 29 10.418 -9.850 -0.343 1504 HA VAL 29 HA VAL 29 9.958 -11.749 -2.356 1505 HB VAL 29 HB VAL 29 7.921 -10.027 -0.940 1506 1HG1 VAL 29 1HG1 VAL 29 7.608 -12.637 -2.424 1507 2HG1 VAL 29 2HG1 VAL 29 6.990 -11.063 -2.931 1508 3HG1 VAL 29 3HG1 VAL 29 6.348 -11.840 -1.480 1509 1HG2 VAL 29 1HG2 VAL 29 8.116 -11.321 0.871 1510 2HG2 VAL 29 2HG2 VAL 29 9.660 -11.831 0.189 1511 3HG2 VAL 29 3HG2 VAL 29 8.212 -12.798 -0.087 1512 H VAL 30 H VAL 30 9.390 -8.264 -2.285 1513 HA VAL 30 HA VAL 30 7.958 -8.166 -4.732 1514 HB VAL 30 HB VAL 30 9.463 -5.952 -3.329 1515 1HG1 VAL 30 1HG1 VAL 30 9.009 -5.467 -5.707 1516 2HG1 VAL 30 2HG1 VAL 30 8.100 -4.419 -4.619 1517 3HG1 VAL 30 3HG1 VAL 30 7.295 -5.767 -5.420 1518 1HG2 VAL 30 1HG2 VAL 30 6.521 -6.083 -3.254 1519 2HG2 VAL 30 2HG2 VAL 30 7.670 -5.620 -1.999 1520 3HG2 VAL 30 3HG2 VAL 30 7.368 -7.326 -2.334 1521 H LYS 31 H LYS 31 11.395 -7.564 -3.955 1522 HA LYS 31 HA LYS 31 12.136 -6.853 -6.580 1523 1HB LYS 31 1HB LYS 31 13.478 -6.459 -4.483 1524 2HB LYS 31 2HB LYS 31 13.888 -8.169 -4.499 1525 1HG LYS 31 1HG LYS 31 14.988 -7.904 -6.650 1526 2HG LYS 31 2HG LYS 31 14.541 -6.198 -6.680 1527 1HD LYS 31 1HD LYS 31 15.941 -5.709 -4.823 1528 2HD LYS 31 2HD LYS 31 16.193 -7.422 -4.480 1529 1HE LYS 31 1HE LYS 31 17.676 -7.691 -6.213 1530 2HE LYS 31 2HE LYS 31 16.994 -6.358 -7.144 1531 1HZ LYS 31 1HZ LYS 31 18.955 -5.460 -6.418 1532 2HZ LYS 31 2HZ LYS 31 18.936 -6.284 -4.942 1533 3HZ LYS 31 3HZ LYS 31 17.920 -4.953 -5.180 1534 H GLN 32 H GLN 32 12.170 -9.940 -4.846 1535 HA GLN 32 HA GLN 32 13.330 -11.466 -6.916 1536 1HB GLN 32 1HB GLN 32 13.131 -12.137 -4.499 1537 2HB GLN 32 2HB GLN 32 11.429 -12.469 -4.795 1538 1HG GLN 32 1HG GLN 32 12.631 -14.523 -4.901 1539 2HG GLN 32 2HG GLN 32 12.104 -14.104 -6.530 1540 1HE2 GLN 32 1HE2 GLN 32 13.569 -14.523 -8.003 1541 2HE2 GLN 32 2HE2 GLN 32 15.281 -14.402 -7.810 1542 H PHE 33 H PHE 33 9.931 -10.804 -6.069 1543 HA PHE 33 HA PHE 33 8.825 -12.491 -8.036 1544 1HB PHE 33 1HB PHE 33 7.380 -12.077 -6.316 1545 2HB PHE 33 2HB PHE 33 7.850 -10.395 -6.172 1546 HD1 PHE 33 HD1 PHE 33 6.264 -12.494 -8.865 1547 HD2 PHE 33 HD2 PHE 33 6.162 -8.974 -6.476 1548 HE1 PHE 33 HE1 PHE 33 4.176 -11.796 -9.979 1549 HE2 PHE 33 HE2 PHE 33 4.090 -8.264 -7.593 1550 HZ PHE 33 HZ PHE 33 3.093 -9.668 -9.347 1551 H PHE 34 H PHE 34 9.405 -8.973 -8.034 1552 HA PHE 34 HA PHE 34 8.362 -8.752 -10.697 1553 1HB PHE 34 1HB PHE 34 9.581 -6.795 -8.790 1554 2HB PHE 34 2HB PHE 34 9.303 -6.356 -10.477 1555 HD1 PHE 34 HD1 PHE 34 7.915 -6.073 -7.358 1556 HD2 PHE 34 HD2 PHE 34 6.862 -7.306 -11.293 1557 HE1 PHE 34 HE1 PHE 34 5.539 -5.660 -6.853 1558 HE2 PHE 34 HE2 PHE 34 4.492 -6.888 -10.799 1559 HZ PHE 34 HZ PHE 34 3.823 -6.069 -8.580 1560 H ASN 35 H ASN 35 11.595 -9.082 -9.341 1561 HA ASN 35 HA ASN 35 13.109 -8.222 -11.513 1562 1HB ASN 35 1HB ASN 35 13.594 -10.281 -9.392 1563 2HB ASN 35 2HB ASN 35 14.729 -10.145 -10.731 1564 1HD2 ASN 35 1HD2 ASN 35 13.016 -7.365 -9.464 1565 2HD2 ASN 35 2HD2 ASN 35 14.391 -6.620 -8.735 1566 H ASP 36 H ASP 36 11.225 -11.099 -11.141 1567 HA ASP 36 HA ASP 36 12.303 -12.693 -13.178 1568 1HB ASP 36 1HB ASP 36 9.439 -12.600 -12.212 1569 2HB ASP 36 2HB ASP 36 10.190 -13.918 -13.106 1570 H ASN 37 H ASN 37 10.536 -9.806 -13.400 1571 HA ASN 37 HA ASN 37 9.731 -10.397 -16.170 1572 1HB ASN 37 1HB ASN 37 8.147 -8.618 -16.056 1573 2HB ASN 37 2HB ASN 37 7.967 -9.578 -14.593 1574 1HD2 ASN 37 1HD2 ASN 37 7.661 -8.417 -12.861 1575 2HD2 ASN 37 2HD2 ASN 37 8.306 -6.845 -12.550 1576 H GLY 38 H GLY 38 12.025 -8.580 -14.369 1577 1HA GLY 38 1HA GLY 38 13.890 -7.867 -15.900 1578 2HA GLY 38 2HA GLY 38 12.647 -7.014 -16.797 1579 H VAL 39 H VAL 39 12.298 -6.978 -13.373 1580 HA VAL 39 HA VAL 39 12.890 -4.130 -13.354 1581 HB VAL 39 HB VAL 39 11.871 -5.830 -11.075 1582 1HG1 VAL 39 1HG1 VAL 39 10.920 -3.498 -10.447 1583 2HG1 VAL 39 2HG1 VAL 39 12.177 -2.888 -11.522 1584 3HG1 VAL 39 3HG1 VAL 39 12.613 -3.857 -10.114 1585 1HG2 VAL 39 1HG2 VAL 39 10.447 -4.488 -13.335 1586 2HG2 VAL 39 2HG2 VAL 39 9.660 -4.659 -11.766 1587 3HG2 VAL 39 3HG2 VAL 39 10.193 -6.091 -12.648 1588 H ASP 40 H ASP 40 14.475 -3.140 -12.107 1589 HA ASP 40 HA ASP 40 16.176 -4.744 -10.399 1590 1HB ASP 40 1HB ASP 40 17.106 -3.609 -13.024 1591 2HB ASP 40 2HB ASP 40 18.232 -3.838 -11.690 1592 H GLY 41 H GLY 41 18.137 -3.241 -9.704 1593 1HA GLY 41 1HA GLY 41 18.711 -0.848 -9.391 1594 2HA GLY 41 2HA GLY 41 16.994 -0.574 -9.137 1595 H GLU 42 H GLU 42 17.143 0.244 -7.078 1596 HA GLU 42 HA GLU 42 17.593 -1.726 -4.994 1597 1HB GLU 42 1HB GLU 42 19.144 0.864 -5.127 1598 2HB GLU 42 2HB GLU 42 19.045 -0.155 -3.697 1599 1HG GLU 42 1HG GLU 42 19.918 -2.013 -5.292 1600 2HG GLU 42 2HG GLU 42 20.443 -0.652 -6.283 1601 H TRP 43 H TRP 43 16.764 -1.053 -2.909 1602 HA TRP 43 HA TRP 43 14.340 0.437 -3.172 1603 1HB TRP 43 1HB TRP 43 15.705 -0.943 -0.878 1604 2HB TRP 43 2HB TRP 43 14.270 0.045 -0.621 1605 HD1 TRP 43 HD1 TRP 43 15.326 -3.379 -1.640 1606 HE1 TRP 43 HE1 TRP 43 13.280 -4.766 -2.344 1607 HE3 TRP 43 HE3 TRP 43 11.865 0.373 -1.911 1608 HZ2 TRP 43 HZ2 TRP 43 10.552 -4.327 -2.940 1609 HZ3 TRP 43 HZ3 TRP 43 9.559 -0.194 -2.557 1610 HH2 TRP 43 HH2 TRP 43 8.918 -2.496 -3.061 1611 H THR 44 H THR 44 14.066 2.522 -2.984 1612 HA THR 44 HA THR 44 16.079 4.075 -1.502 1613 HB THR 44 HB THR 44 15.537 5.963 -2.967 1614 HG1 THR 44 HG1 THR 44 13.989 5.867 -4.436 1615 1HG2 THR 44 1HG2 THR 44 16.071 3.545 -4.668 1616 2HG2 THR 44 2HG2 THR 44 17.290 4.365 -3.693 1617 3HG2 THR 44 3HG2 THR 44 16.498 5.220 -5.016 1618 H TYR 45 H TYR 45 15.432 5.477 0.007 1619 HA TYR 45 HA TYR 45 12.812 5.176 1.112 1620 1HB TYR 45 1HB TYR 45 15.217 6.811 1.840 1621 2HB TYR 45 2HB TYR 45 13.669 7.137 2.614 1622 HD1 TYR 45 HD1 TYR 45 16.468 4.808 2.348 1623 HD2 TYR 45 HD2 TYR 45 12.630 5.462 4.064 1624 HE1 TYR 45 HE1 TYR 45 16.875 2.981 3.946 1625 HE2 TYR 45 HE2 TYR 45 13.026 3.641 5.665 1626 HH TYR 45 HH TYR 45 15.139 2.519 6.692 1627 H ASP 46 H ASP 46 11.126 6.633 1.192 1628 HA ASP 46 HA ASP 46 10.857 8.352 -1.062 1629 1HB ASP 46 1HB ASP 46 9.119 7.970 1.385 1630 2HB ASP 46 2HB ASP 46 8.672 8.971 0.008 1631 H ASP 47 H ASP 47 10.390 10.649 -0.991 1632 HA ASP 47 HA ASP 47 12.263 12.089 0.579 1633 1HB ASP 47 1HB ASP 47 10.260 12.731 -1.500 1634 2HB ASP 47 2HB ASP 47 10.661 14.045 -0.398 1635 H ALA 48 H ALA 48 11.990 13.408 2.338 1636 HA ALA 48 HA ALA 48 10.079 12.744 4.243 1637 1HB ALA 48 1HB ALA 48 11.749 15.242 4.014 1638 2HB ALA 48 2HB ALA 48 12.170 13.758 4.866 1639 3HB ALA 48 3HB ALA 48 10.845 14.764 5.451 1640 H THR 49 H THR 49 8.133 13.540 4.854 1641 HA THR 49 HA THR 49 7.017 15.779 3.305 1642 HB THR 49 HB THR 49 5.540 13.259 4.091 1643 HG1 THR 49 HG1 THR 49 5.723 12.661 2.020 1644 1HG2 THR 49 1HG2 THR 49 3.892 14.888 4.023 1645 2HG2 THR 49 2HG2 THR 49 3.874 14.210 2.395 1646 3HG2 THR 49 3HG2 THR 49 4.667 15.756 2.698 1647 H LYS 50 H LYS 50 5.287 16.945 4.359 1648 HA LYS 50 HA LYS 50 5.431 16.740 7.296 1649 1HB LYS 50 1HB LYS 50 6.317 18.842 5.907 1650 2HB LYS 50 2HB LYS 50 4.622 19.298 6.004 1651 1HG LYS 50 1HG LYS 50 4.770 19.844 8.164 1652 2HG LYS 50 2HG LYS 50 5.742 18.423 8.553 1653 1HD LYS 50 1HD LYS 50 6.986 20.655 7.012 1654 2HD LYS 50 2HD LYS 50 6.750 20.842 8.751 1655 1HE LYS 50 1HE LYS 50 7.883 18.531 8.925 1656 2HE LYS 50 2HE LYS 50 8.429 18.843 7.277 1657 1HZ LYS 50 1HZ LYS 50 9.202 20.160 9.772 1658 2HZ LYS 50 2HZ LYS 50 9.167 21.102 8.368 1659 3HZ LYS 50 3HZ LYS 50 10.151 19.728 8.438 1660 H THR 51 H THR 51 3.577 16.679 8.448 1661 HA THR 51 HA THR 51 1.033 17.105 7.054 1662 HB THR 51 HB THR 51 1.830 14.641 8.622 1663 HG1 THR 51 HG1 THR 51 1.321 13.611 6.705 1664 1HG2 THR 51 1HG2 THR 51 -0.919 15.291 7.577 1665 2HG2 THR 51 2HG2 THR 51 -0.451 15.307 9.278 1666 3HG2 THR 51 3HG2 THR 51 -0.408 13.798 8.365 1667 H PHE 52 H PHE 52 -0.307 18.354 8.188 1668 HA PHE 52 HA PHE 52 0.437 19.214 10.834 1669 1HB PHE 52 1HB PHE 52 -0.446 20.772 9.097 1670 2HB PHE 52 2HB PHE 52 -2.005 19.963 9.216 1671 HD1 PHE 52 HD1 PHE 52 0.469 21.943 11.128 1672 HD2 PHE 52 HD2 PHE 52 -3.541 20.540 10.886 1673 HE1 PHE 52 HE1 PHE 52 -0.162 23.441 12.975 1674 HE2 PHE 52 HE2 PHE 52 -4.180 22.036 12.733 1675 HZ PHE 52 HZ PHE 52 -2.489 23.489 13.779 1676 H THR 53 H THR 53 -0.275 18.404 12.690 1677 HA THR 53 HA THR 53 -2.543 16.546 12.636 1678 HB THR 53 HB THR 53 -0.460 17.027 14.780 1679 HG1 THR 53 HG1 THR 53 -0.777 14.937 12.892 1680 1HG2 THR 53 1HG2 THR 53 -1.265 15.120 15.917 1681 2HG2 THR 53 2HG2 THR 53 -2.392 14.736 14.617 1682 3HG2 THR 53 3HG2 THR 53 -2.657 16.162 15.621 1683 H VAL 54 H VAL 54 -4.474 17.206 13.330 1684 HA VAL 54 HA VAL 54 -4.853 19.807 14.426 1685 HB VAL 54 HB VAL 54 -6.931 17.634 14.493 1686 1HG1 VAL 54 1HG1 VAL 54 -8.295 19.779 13.846 1687 2HG1 VAL 54 2HG1 VAL 54 -6.909 20.612 14.549 1688 3HG1 VAL 54 3HG1 VAL 54 -7.838 19.471 15.522 1689 1HG2 VAL 54 1HG2 VAL 54 -6.256 17.441 12.274 1690 2HG2 VAL 54 2HG2 VAL 54 -5.889 19.160 12.134 1691 3HG2 VAL 54 3HG2 VAL 54 -7.567 18.618 12.191 1692 H THR 55 H THR 55 -5.834 20.332 16.459 1693 HA THR 55 HA THR 55 -5.762 18.339 18.564 1694 HB THR 55 HB THR 55 -4.031 20.812 18.688 1695 HG1 THR 55 HG1 THR 55 -3.065 19.217 17.445 1696 1HG2 THR 55 1HG2 THR 55 -3.132 19.539 20.741 1697 2HG2 THR 55 2HG2 THR 55 -4.700 18.732 20.722 1698 3HG2 THR 55 3HG2 THR 55 -4.613 20.485 20.896 1699 H GLU 56 H GLU 56 -5.674 21.886 18.476 1700 HA GLU 56 HA GLU 56 -7.094 23.473 19.276 1701 1HB GLU 56 1HB GLU 56 -9.287 21.430 18.934 1702 2HB GLU 56 2HB GLU 56 -9.436 23.181 18.907 1703 1HG GLU 56 1HG GLU 56 -8.458 23.353 16.797 1704 2HG GLU 56 2HG GLU 56 -7.774 21.731 16.883 Start of MODEL 7 1 1H MET 1 1H MET 1 9.730 21.628 -0.334 2 2H MET 1 2H MET 1 10.420 20.222 -1.033 3 3H MET 1 3H MET 1 11.240 21.045 0.229 4 HA MET 1 HA MET 1 10.092 18.973 0.865 5 1HB MET 1 1HB MET 1 9.651 21.674 2.089 6 2HB MET 1 2HB MET 1 8.947 20.252 2.846 7 1HG MET 1 1HG MET 1 11.808 20.083 2.151 8 2HG MET 1 2HG MET 1 11.375 21.202 3.442 9 1HE MET 1 1HE MET 1 9.153 18.195 2.705 10 2HE MET 1 2HE MET 1 9.811 16.890 3.694 11 3HE MET 1 3HE MET 1 10.673 17.423 2.250 12 H GLN 2 H GLN 2 8.240 17.821 0.949 13 HA GLN 2 HA GLN 2 5.950 18.871 -0.497 14 1HB GLN 2 1HB GLN 2 6.880 16.560 -0.875 15 2HB GLN 2 2HB GLN 2 6.289 16.130 0.723 16 1HG GLN 2 1HG GLN 2 4.083 16.210 0.081 17 2HG GLN 2 2HG GLN 2 4.407 17.292 -1.273 18 1HE2 GLN 2 1HE2 GLN 2 5.339 16.426 -3.173 19 2HE2 GLN 2 2HE2 GLN 2 5.190 14.746 -3.550 20 H TYR 3 H TYR 3 4.246 19.758 0.458 21 HA TYR 3 HA TYR 3 3.867 19.287 3.334 22 1HB TYR 3 1HB TYR 3 3.329 21.651 1.578 23 2HB TYR 3 2HB TYR 3 2.428 21.448 3.077 24 HD1 TYR 3 HD1 TYR 3 5.430 22.668 1.613 25 HD2 TYR 3 HD2 TYR 3 3.817 21.108 5.228 26 HE1 TYR 3 HE1 TYR 3 7.299 23.659 2.869 27 HE2 TYR 3 HE2 TYR 3 5.679 22.096 6.493 28 HH TYR 3 HH TYR 3 7.302 24.101 6.117 29 H LYS 4 H LYS 4 2.140 18.357 4.064 30 HA LYS 4 HA LYS 4 -0.070 17.761 2.208 31 1HB LYS 4 1HB LYS 4 1.358 15.971 3.571 32 2HB LYS 4 2HB LYS 4 0.184 16.353 4.823 33 1HG LYS 4 1HG LYS 4 -1.491 15.293 3.763 34 2HG LYS 4 2HG LYS 4 -0.948 15.810 2.165 35 1HD LYS 4 1HD LYS 4 -0.405 13.628 1.945 36 2HD LYS 4 2HD LYS 4 1.046 14.118 2.820 37 1HE LYS 4 1HE LYS 4 -0.215 13.549 4.944 38 2HE LYS 4 2HE LYS 4 -1.423 12.787 3.909 39 1HZ LYS 4 1HZ LYS 4 0.001 11.118 3.317 40 2HZ LYS 4 2HZ LYS 4 0.537 11.408 4.895 41 3HZ LYS 4 3HZ LYS 4 1.396 12.038 3.581 42 H VAL 5 H VAL 5 -1.986 18.702 2.515 43 HA VAL 5 HA VAL 5 -2.763 19.546 5.207 44 HB VAL 5 HB VAL 5 -3.014 21.423 2.858 45 1HG1 VAL 5 1HG1 VAL 5 -3.768 23.024 4.402 46 2HG1 VAL 5 2HG1 VAL 5 -3.229 22.071 5.783 47 3HG1 VAL 5 3HG1 VAL 5 -4.618 21.541 4.834 48 1HG2 VAL 5 1HG2 VAL 5 -0.888 21.231 4.971 49 2HG2 VAL 5 2HG2 VAL 5 -1.241 22.744 4.136 50 3HG2 VAL 5 3HG2 VAL 5 -0.697 21.338 3.222 51 H ILE 6 H ILE 6 -4.786 18.957 5.633 52 HA ILE 6 HA ILE 6 -6.494 18.070 3.438 53 HB ILE 6 HB ILE 6 -7.025 17.821 6.397 54 1HG1 ILE 6 1HG1 ILE 6 -5.792 15.752 4.567 55 2HG1 ILE 6 2HG1 ILE 6 -4.870 16.743 5.694 56 1HG2 ILE 6 1HG2 ILE 6 -8.107 16.223 4.083 57 2HG2 ILE 6 2HG2 ILE 6 -8.948 17.575 4.839 58 3HG2 ILE 6 3HG2 ILE 6 -8.598 16.121 5.774 59 1HD1 ILE 6 1HD1 ILE 6 -5.149 15.011 7.076 60 2HD1 ILE 6 2HD1 ILE 6 -6.530 14.384 6.175 61 3HD1 ILE 6 3HD1 ILE 6 -6.754 15.694 7.335 62 H LEU 7 H LEU 7 -8.119 19.264 2.676 63 HA LEU 7 HA LEU 7 -9.390 21.239 4.434 64 1HB LEU 7 1HB LEU 7 -7.988 21.732 1.876 65 2HB LEU 7 2HB LEU 7 -9.547 22.515 2.046 66 HG LEU 7 HG LEU 7 -8.464 23.225 4.398 67 1HD1 LEU 7 1HD1 LEU 7 -6.344 21.952 3.421 68 2HD1 LEU 7 2HD1 LEU 7 -6.202 23.379 4.447 69 3HD1 LEU 7 3HD1 LEU 7 -6.062 23.535 2.696 70 1HD2 LEU 7 1HD2 LEU 7 -9.307 24.541 2.249 71 2HD2 LEU 7 2HD2 LEU 7 -7.580 24.843 2.068 72 3HD2 LEU 7 3HD2 LEU 7 -8.412 25.341 3.542 73 H ASN 8 H ASN 8 -11.459 20.634 4.599 74 HA ASN 8 HA ASN 8 -12.996 20.127 2.204 75 1HB ASN 8 1HB ASN 8 -11.924 17.917 3.236 76 2HB ASN 8 2HB ASN 8 -13.321 18.040 4.300 77 1HD2 ASN 8 1HD2 ASN 8 -12.778 15.991 2.383 78 2HD2 ASN 8 2HD2 ASN 8 -14.065 16.014 1.233 79 H GLY 9 H GLY 9 -13.292 19.573 5.700 80 1HA GLY 9 1HA GLY 9 -15.020 21.766 6.154 81 2HA GLY 9 2HA GLY 9 -15.975 20.310 5.922 82 H LYS 10 H LYS 10 -14.471 18.400 7.172 83 HA LYS 10 HA LYS 10 -14.068 17.473 9.206 84 1HB LYS 10 1HB LYS 10 -13.098 20.280 9.655 85 2HB LYS 10 2HB LYS 10 -13.100 19.112 10.969 86 1HG LYS 10 1HG LYS 10 -11.786 18.507 8.345 87 2HG LYS 10 2HG LYS 10 -10.952 19.402 9.617 88 1HD LYS 10 1HD LYS 10 -11.062 17.579 11.111 89 2HD LYS 10 2HD LYS 10 -12.256 16.739 10.119 90 1HE LYS 10 1HE LYS 10 -9.631 17.366 8.884 91 2HE LYS 10 2HE LYS 10 -9.676 16.091 10.101 92 1HZ LYS 10 1HZ LYS 10 -11.587 16.113 7.850 93 2HZ LYS 10 2HZ LYS 10 -11.108 14.812 8.819 94 3HZ LYS 10 3HZ LYS 10 -10.040 15.449 7.672 95 H THR 11 H THR 11 -15.798 16.761 10.245 96 HA THR 11 HA THR 11 -17.184 18.486 12.103 97 HB THR 11 HB THR 11 -18.499 18.951 10.144 98 HG1 THR 11 HG1 THR 11 -19.900 18.744 11.756 99 1HG2 THR 11 1HG2 THR 11 -19.794 16.795 9.256 100 2HG2 THR 11 2HG2 THR 11 -18.238 16.060 9.639 101 3HG2 THR 11 3HG2 THR 11 -18.320 17.413 8.511 102 H LEU 12 H LEU 12 -18.300 17.342 13.714 103 HA LEU 12 HA LEU 12 -18.703 14.526 13.591 104 1HB LEU 12 1HB LEU 12 -16.212 14.711 13.886 105 2HB LEU 12 2HB LEU 12 -16.518 15.450 15.446 106 HG LEU 12 HG LEU 12 -17.774 13.340 16.070 107 1HD1 LEU 12 1HD1 LEU 12 -17.598 11.411 14.790 108 2HD1 LEU 12 2HD1 LEU 12 -16.275 12.057 13.819 109 3HD1 LEU 12 3HD1 LEU 12 -17.915 12.662 13.589 110 1HD2 LEU 12 1HD2 LEU 12 -14.844 13.036 15.430 111 2HD2 LEU 12 2HD2 LEU 12 -15.757 12.142 16.644 112 3HD2 LEU 12 3HD2 LEU 12 -15.492 13.876 16.839 113 H LYS 13 H LYS 13 -17.982 17.099 15.922 114 HA LYS 13 HA LYS 13 -20.626 16.825 17.077 115 1HB LYS 13 1HB LYS 13 -18.116 16.037 18.505 116 2HB LYS 13 2HB LYS 13 -19.435 16.759 19.417 117 1HG LYS 13 1HG LYS 13 -20.893 14.949 18.288 118 2HG LYS 13 2HG LYS 13 -19.353 14.152 17.959 119 1HD LYS 13 1HD LYS 13 -19.956 13.221 19.989 120 2HD LYS 13 2HD LYS 13 -18.908 14.549 20.490 121 1HE LYS 13 1HE LYS 13 -20.599 15.692 21.450 122 2HE LYS 13 2HE LYS 13 -21.755 15.232 20.202 123 1HZ LYS 13 1HZ LYS 13 -20.890 13.622 22.536 124 2HZ LYS 13 2HZ LYS 13 -21.795 12.986 21.257 125 3HZ LYS 13 3HZ LYS 13 -22.439 14.222 22.215 126 H GLY 14 H GLY 14 -21.068 18.930 16.545 127 1HA GLY 14 1HA GLY 14 -20.298 20.946 18.338 128 2HA GLY 14 2HA GLY 14 -19.325 21.110 16.885 129 H GLU 15 H GLU 15 -20.106 22.703 15.682 130 HA GLU 15 HA GLU 15 -22.878 23.456 15.768 131 1HB GLU 15 1HB GLU 15 -20.732 24.450 13.887 132 2HB GLU 15 2HB GLU 15 -22.256 25.241 14.265 133 1HG GLU 15 1HG GLU 15 -20.021 24.756 16.221 134 2HG GLU 15 2HG GLU 15 -20.345 26.279 15.394 135 H THR 16 H THR 16 -24.076 23.833 13.667 136 HA THR 16 HA THR 16 -24.151 21.332 12.219 137 HB THR 16 HB THR 16 -26.261 22.285 12.870 138 HG1 THR 16 HG1 THR 16 -25.937 22.698 10.086 139 1HG2 THR 16 1HG2 THR 16 -26.813 24.470 11.379 140 2HG2 THR 16 2HG2 THR 16 -25.131 24.771 11.816 141 3HG2 THR 16 3HG2 THR 16 -26.336 24.508 13.076 142 H THR 17 H THR 17 -24.089 21.165 9.914 143 HA THR 17 HA THR 17 -23.006 21.412 7.929 144 HB THR 17 HB THR 17 -23.028 23.933 7.133 145 HG1 THR 17 HG1 THR 17 -23.684 25.151 8.713 146 1HG2 THR 17 1HG2 THR 17 -24.474 22.334 6.120 147 2HG2 THR 17 2HG2 THR 17 -25.432 23.748 6.564 148 3HG2 THR 17 3HG2 THR 17 -25.506 22.288 7.550 149 H THR 18 H THR 18 -21.284 22.945 6.738 150 HA THR 18 HA THR 18 -19.207 23.739 8.642 151 HB THR 18 HB THR 18 -17.495 22.473 7.438 152 HG1 THR 18 HG1 THR 18 -18.486 22.378 5.403 153 1HG2 THR 18 1HG2 THR 18 -18.041 20.233 8.090 154 2HG2 THR 18 2HG2 THR 18 -19.758 20.631 8.162 155 3HG2 THR 18 3HG2 THR 18 -18.636 21.352 9.316 156 H GLU 19 H GLU 19 -17.653 25.179 7.812 157 HA GLU 19 HA GLU 19 -17.582 26.037 5.118 158 1HB GLU 19 1HB GLU 19 -18.483 28.378 5.609 159 2HB GLU 19 2HB GLU 19 -19.665 27.091 5.415 160 1HG GLU 19 1HG GLU 19 -20.123 27.010 7.707 161 2HG GLU 19 2HG GLU 19 -18.666 27.915 8.117 162 H ALA 20 H ALA 20 -15.391 25.537 5.926 163 HA ALA 20 HA ALA 20 -14.088 27.986 6.790 164 1HB ALA 20 1HB ALA 20 -13.798 25.404 8.314 165 2HB ALA 20 2HB ALA 20 -14.504 26.908 8.905 166 3HB ALA 20 3HB ALA 20 -12.782 26.828 8.537 167 H VAL 21 H VAL 21 -13.236 24.555 6.464 168 HA VAL 21 HA VAL 21 -10.961 25.332 4.789 169 HB VAL 21 HB VAL 21 -10.315 22.881 5.076 170 1HG1 VAL 21 1HG1 VAL 21 -8.996 23.478 6.807 171 2HG1 VAL 21 2HG1 VAL 21 -10.349 24.061 7.778 172 3HG1 VAL 21 3HG1 VAL 21 -9.682 25.072 6.497 173 1HG2 VAL 21 1HG2 VAL 21 -11.351 21.541 6.657 174 2HG2 VAL 21 2HG2 VAL 21 -12.719 22.349 5.893 175 3HG2 VAL 21 3HG2 VAL 21 -12.125 22.908 7.457 176 H ASP 22 H ASP 22 -12.147 25.754 2.885 177 HA ASP 22 HA ASP 22 -13.461 23.456 1.614 178 1HB ASP 22 1HB ASP 22 -14.702 25.605 1.766 179 2HB ASP 22 2HB ASP 22 -13.452 26.365 0.785 180 H ALA 23 H ALA 23 -12.879 22.687 -0.342 181 HA ALA 23 HA ALA 23 -10.228 22.528 -1.041 182 1HB ALA 23 1HB ALA 23 -11.949 22.281 -3.354 183 2HB ALA 23 2HB ALA 23 -12.635 21.495 -1.931 184 3HB ALA 23 3HB ALA 23 -11.024 21.047 -2.496 185 H ALA 24 H ALA 24 -12.676 24.756 -2.304 186 HA ALA 24 HA ALA 24 -11.017 25.994 -4.239 187 1HB ALA 24 1HB ALA 24 -12.764 27.806 -4.166 188 2HB ALA 24 2HB ALA 24 -13.566 26.872 -2.902 189 3HB ALA 24 3HB ALA 24 -13.364 26.184 -4.513 190 H THR 25 H THR 25 -11.512 26.494 -0.821 191 HA THR 25 HA THR 25 -10.486 29.101 -0.583 192 HB THR 25 HB THR 25 -10.471 26.802 1.385 193 HG1 THR 25 HG1 THR 25 -12.349 27.663 2.108 194 1HG2 THR 25 1HG2 THR 25 -9.523 29.564 1.687 195 2HG2 THR 25 2HG2 THR 25 -9.101 28.103 2.584 196 3HG2 THR 25 3HG2 THR 25 -10.598 28.966 2.951 197 H PHE 26 H PHE 26 -8.940 25.947 -0.608 198 HA PHE 26 HA PHE 26 -6.331 26.869 0.044 199 1HB PHE 26 1HB PHE 26 -7.254 24.457 0.134 200 2HB PHE 26 2HB PHE 26 -6.871 24.398 -1.583 201 HD1 PHE 26 HD1 PHE 26 -5.324 25.220 1.700 202 HD2 PHE 26 HD2 PHE 26 -4.761 23.737 -2.249 203 HE1 PHE 26 HE1 PHE 26 -2.991 24.659 2.247 204 HE2 PHE 26 HE2 PHE 26 -2.428 23.172 -1.708 205 HZ PHE 26 HZ PHE 26 -1.540 23.633 0.542 206 H GLU 27 H GLU 27 -7.870 25.999 -3.038 207 HA GLU 27 HA GLU 27 -5.753 26.467 -4.746 208 1HB GLU 27 1HB GLU 27 -8.707 26.880 -5.202 209 2HB GLU 27 2HB GLU 27 -7.504 26.908 -6.484 210 1HG GLU 27 1HG GLU 27 -6.891 24.601 -5.961 211 2HG GLU 27 2HG GLU 27 -8.102 24.574 -4.680 212 H LYS 28 H LYS 28 -8.317 28.812 -3.906 213 HA LYS 28 HA LYS 28 -7.186 30.936 -5.357 214 1HB LYS 28 1HB LYS 28 -9.553 30.810 -4.630 215 2HB LYS 28 2HB LYS 28 -9.034 31.106 -2.976 216 1HG LYS 28 1HG LYS 28 -8.432 33.305 -3.425 217 2HG LYS 28 2HG LYS 28 -8.345 33.027 -5.165 218 1HD LYS 28 1HD LYS 28 -10.935 32.741 -3.681 219 2HD LYS 28 2HD LYS 28 -10.366 34.322 -4.221 220 1HE LYS 28 1HE LYS 28 -10.470 32.028 -6.137 221 2HE LYS 28 2HE LYS 28 -11.941 32.919 -5.747 222 1HZ LYS 28 1HZ LYS 28 -11.033 33.937 -7.644 223 2HZ LYS 28 2HZ LYS 28 -9.468 33.955 -7.004 224 3HZ LYS 28 3HZ LYS 28 -10.654 34.976 -6.361 225 H VAL 29 H VAL 29 -7.065 30.270 -1.834 226 HA VAL 29 HA VAL 29 -5.521 32.525 -1.190 227 HB VAL 29 HB VAL 29 -5.633 29.888 0.279 228 1HG1 VAL 29 1HG1 VAL 29 -3.746 31.343 0.947 229 2HG1 VAL 29 2HG1 VAL 29 -4.937 31.133 2.234 230 3HG1 VAL 29 3HG1 VAL 29 -4.899 32.630 1.305 231 1HG2 VAL 29 1HG2 VAL 29 -7.577 30.522 1.262 232 2HG2 VAL 29 2HG2 VAL 29 -7.773 31.389 -0.260 233 3HG2 VAL 29 3HG2 VAL 29 -7.192 32.240 1.170 234 H VAL 30 H VAL 30 -4.556 29.214 -2.015 235 HA VAL 30 HA VAL 30 -1.798 29.663 -1.485 236 HB VAL 30 HB VAL 30 -3.062 27.492 -3.167 237 1HG1 VAL 30 1HG1 VAL 30 -0.902 26.281 -2.506 238 2HG1 VAL 30 2HG1 VAL 30 -0.266 27.885 -2.138 239 3HG1 VAL 30 3HG1 VAL 30 -0.798 27.501 -3.776 240 1HG2 VAL 30 1HG2 VAL 30 -2.028 27.132 -0.386 241 2HG2 VAL 30 2HG2 VAL 30 -3.230 26.188 -1.268 242 3HG2 VAL 30 3HG2 VAL 30 -3.646 27.783 -0.647 243 H LYS 31 H LYS 31 -3.688 29.659 -4.539 244 HA LYS 31 HA LYS 31 -1.474 30.112 -6.206 245 1HB LYS 31 1HB LYS 31 -3.800 29.379 -6.888 246 2HB LYS 31 2HB LYS 31 -4.306 31.050 -6.680 247 1HG LYS 31 1HG LYS 31 -2.627 31.716 -8.377 248 2HG LYS 31 2HG LYS 31 -2.270 30.008 -8.637 249 1HD LYS 31 1HD LYS 31 -4.513 29.591 -9.383 250 2HD LYS 31 2HD LYS 31 -5.010 31.227 -8.947 251 1HE LYS 31 1HE LYS 31 -3.692 32.180 -10.673 252 2HE LYS 31 2HE LYS 31 -2.868 30.652 -10.978 253 1HZ LYS 31 1HZ LYS 31 -4.826 29.733 -11.900 254 2HZ LYS 31 2HZ LYS 31 -4.637 31.255 -12.613 255 3HZ LYS 31 3HZ LYS 31 -5.779 31.034 -11.386 256 H GLN 32 H GLN 32 -3.765 32.315 -4.648 257 HA GLN 32 HA GLN 32 -2.725 34.698 -5.717 258 1HB GLN 32 1HB GLN 32 -4.941 34.465 -4.597 259 2HB GLN 32 2HB GLN 32 -4.108 34.336 -3.054 260 1HG GLN 32 1HG GLN 32 -3.524 36.548 -3.025 261 2HG GLN 32 2HG GLN 32 -3.564 36.695 -4.782 262 1HE2 GLN 32 1HE2 GLN 32 -5.918 36.060 -5.604 263 2HE2 GLN 32 2HE2 GLN 32 -7.177 36.959 -4.836 264 H PHE 33 H PHE 33 -2.025 33.016 -2.633 265 HA PHE 33 HA PHE 33 -0.167 34.941 -1.738 266 1HB PHE 33 1HB PHE 33 -1.055 33.684 -0.022 267 2HB PHE 33 2HB PHE 33 -0.978 32.187 -0.932 268 HD1 PHE 33 HD1 PHE 33 1.535 34.695 0.289 269 HD2 PHE 33 HD2 PHE 33 0.323 30.626 0.017 270 HE1 PHE 33 HE1 PHE 33 3.551 34.012 1.531 271 HE2 PHE 33 HE2 PHE 33 2.337 29.936 1.248 272 HZ PHE 33 HZ PHE 33 3.957 31.623 2.002 273 H PHE 34 H PHE 34 0.266 31.834 -3.420 274 HA PHE 34 HA PHE 34 3.109 32.101 -3.411 275 1HB PHE 34 1HB PHE 34 1.208 30.127 -4.586 276 2HB PHE 34 2HB PHE 34 2.885 30.147 -5.137 277 HD1 PHE 34 HD1 PHE 34 0.729 29.787 -2.153 278 HD2 PHE 34 HD2 PHE 34 4.625 29.300 -3.796 279 HE1 PHE 34 HE1 PHE 34 1.430 28.579 -0.128 280 HE2 PHE 34 HE2 PHE 34 5.330 28.087 -1.776 281 HZ PHE 34 HZ PHE 34 3.735 27.735 0.067 282 H ASN 35 H ASN 35 0.597 32.910 -5.752 283 HA ASN 35 HA ASN 35 2.204 33.254 -8.006 284 1HB ASN 35 1HB ASN 35 -0.356 34.518 -7.102 285 2HB ASN 35 2HB ASN 35 0.458 35.148 -8.527 286 1HD2 ASN 35 1HD2 ASN 35 0.552 31.741 -7.668 287 2HD2 ASN 35 2HD2 ASN 35 -0.444 31.204 -8.971 288 H ASP 36 H ASP 36 1.807 35.256 -5.193 289 HA ASP 36 HA ASP 36 2.935 37.645 -6.135 290 1HB ASP 36 1HB ASP 36 2.923 36.510 -3.334 291 2HB ASP 36 2HB ASP 36 3.296 38.180 -3.752 292 H ASN 37 H ASN 37 4.416 34.637 -5.481 293 HA ASN 37 HA ASN 37 7.059 35.914 -5.242 294 1HB ASN 37 1HB ASN 37 7.907 33.848 -4.332 295 2HB ASN 37 2HB ASN 37 6.454 34.308 -3.452 296 1HD2 ASN 37 1HD2 ASN 37 5.264 32.636 -2.961 297 2HD2 ASN 37 2HD2 ASN 37 5.013 31.233 -3.935 298 H GLY 38 H GLY 38 5.105 34.032 -7.384 299 1HA GLY 38 1HA GLY 38 6.038 34.296 -9.730 300 2HA GLY 38 2HA GLY 38 7.477 33.538 -9.078 301 H VAL 39 H VAL 39 4.548 32.250 -7.827 302 HA VAL 39 HA VAL 39 5.008 29.804 -9.336 303 HB VAL 39 HB VAL 39 2.964 30.296 -7.165 304 1HG1 VAL 39 1HG1 VAL 39 2.385 28.366 -8.437 305 2HG1 VAL 39 2HG1 VAL 39 3.119 27.800 -6.937 306 3HG1 VAL 39 3HG1 VAL 39 4.051 27.788 -8.434 307 1HG2 VAL 39 1HG2 VAL 39 4.875 28.785 -5.991 308 2HG2 VAL 39 2HG2 VAL 39 4.786 30.542 -5.863 309 3HG2 VAL 39 3HG2 VAL 39 5.862 29.797 -7.046 310 H ASP 40 H ASP 40 3.529 28.855 -10.728 311 HA ASP 40 HA ASP 40 0.953 30.082 -11.183 312 1HB ASP 40 1HB ASP 40 3.177 30.253 -13.213 313 2HB ASP 40 2HB ASP 40 1.479 30.372 -13.665 314 H GLY 41 H GLY 41 0.001 28.996 -13.311 315 1HA GLY 41 1HA GLY 41 0.137 26.899 -14.630 316 2HA GLY 41 2HA GLY 41 0.637 26.112 -13.141 317 H GLU 42 H GLU 42 -1.030 24.644 -13.033 318 HA GLU 42 HA GLU 42 -3.580 25.730 -12.156 319 1HB GLU 42 1HB GLU 42 -3.301 23.890 -14.533 320 2HB GLU 42 2HB GLU 42 -4.814 24.125 -13.669 321 1HG GLU 42 1HG GLU 42 -4.669 26.546 -14.183 322 2HG GLU 42 2HG GLU 42 -3.242 26.210 -15.161 323 H TRP 43 H TRP 43 -4.916 24.166 -11.067 324 HA TRP 43 HA TRP 43 -3.373 22.314 -9.526 325 1HB TRP 43 1HB TRP 43 -6.315 22.976 -9.593 326 2HB TRP 43 2HB TRP 43 -5.637 21.757 -8.517 327 HD1 TRP 43 HD1 TRP 43 -6.021 25.493 -8.922 328 HE1 TRP 43 HE1 TRP 43 -5.066 26.679 -6.847 329 HE3 TRP 43 HE3 TRP 43 -3.733 21.504 -6.685 330 HZ2 TRP 43 HZ2 TRP 43 -3.545 26.013 -4.566 331 HZ3 TRP 43 HZ3 TRP 43 -2.549 21.865 -4.558 332 HH2 TRP 43 HH2 TRP 43 -2.457 24.074 -3.522 333 H THR 44 H THR 44 -2.845 20.364 -10.081 334 HA THR 44 HA THR 44 -4.561 18.902 -11.970 335 HB THR 44 HB THR 44 -2.566 17.608 -12.566 336 HG1 THR 44 HG1 THR 44 -0.990 17.595 -11.208 337 1HG2 THR 44 1HG2 THR 44 -1.476 19.166 -13.877 338 2HG2 THR 44 2HG2 THR 44 -1.678 20.455 -12.693 339 3HG2 THR 44 3HG2 THR 44 -3.062 19.895 -13.629 340 H TYR 45 H TYR 45 -5.210 16.877 -11.504 341 HA TYR 45 HA TYR 45 -5.379 16.130 -8.761 342 1HB TYR 45 1HB TYR 45 -6.261 14.868 -11.334 343 2HB TYR 45 2HB TYR 45 -6.331 13.949 -9.835 344 HD1 TYR 45 HD1 TYR 45 -7.885 16.523 -11.833 345 HD2 TYR 45 HD2 TYR 45 -7.743 14.795 -7.949 346 HE1 TYR 45 HE1 TYR 45 -10.046 17.569 -11.295 347 HE2 TYR 45 HE2 TYR 45 -9.902 15.835 -7.399 348 HH TYR 45 HH TYR 45 -11.162 18.172 -8.539 349 H ASP 46 H ASP 46 -4.410 14.452 -7.659 350 HA ASP 46 HA ASP 46 -1.757 13.782 -8.465 351 1HB ASP 46 1HB ASP 46 -3.508 13.020 -6.144 352 2HB ASP 46 2HB ASP 46 -1.960 12.220 -6.398 353 H ASP 47 H ASP 47 -0.922 11.585 -8.649 354 HA ASP 47 HA ASP 47 -2.379 10.037 -10.515 355 1HB ASP 47 1HB ASP 47 0.162 10.180 -10.233 356 2HB ASP 47 2HB ASP 47 -0.031 9.033 -8.910 357 H ALA 48 H ALA 48 -3.800 8.437 -10.237 358 HA ALA 48 HA ALA 48 -5.001 7.877 -7.804 359 1HB ALA 48 1HB ALA 48 -6.201 6.151 -8.920 360 2HB ALA 48 2HB ALA 48 -4.954 6.001 -10.157 361 3HB ALA 48 3HB ALA 48 -5.950 7.455 -10.080 362 H THR 49 H THR 49 -4.857 6.277 -6.300 363 HA THR 49 HA THR 49 -2.707 4.301 -6.562 364 HB THR 49 HB THR 49 -3.158 5.842 -4.007 365 HG1 THR 49 HG1 THR 49 -2.414 7.284 -5.586 366 1HG2 THR 49 1HG2 THR 49 -2.007 3.669 -3.813 367 2HG2 THR 49 2HG2 THR 49 -0.996 5.041 -3.359 368 3HG2 THR 49 3HG2 THR 49 -0.772 4.259 -4.925 369 H LYS 50 H LYS 50 -2.951 2.450 -5.133 370 HA LYS 50 HA LYS 50 -5.722 2.099 -4.188 371 1HB LYS 50 1HB LYS 50 -3.989 0.263 -5.809 372 2HB LYS 50 2HB LYS 50 -5.271 -0.386 -4.795 373 1HG LYS 50 1HG LYS 50 -6.946 0.623 -6.052 374 2HG LYS 50 2HG LYS 50 -5.830 1.778 -6.786 375 1HD LYS 50 1HD LYS 50 -4.701 -0.360 -7.765 376 2HD LYS 50 2HD LYS 50 -6.262 -1.112 -7.422 377 1HE LYS 50 1HE LYS 50 -7.400 0.446 -8.831 378 2HE LYS 50 2HE LYS 50 -5.942 1.418 -9.026 379 1HZ LYS 50 1HZ LYS 50 -6.550 -1.236 -10.170 380 2HZ LYS 50 2HZ LYS 50 -4.956 -0.686 -10.040 381 3HZ LYS 50 3HZ LYS 50 -6.074 0.177 -10.970 382 H THR 51 H THR 51 -5.843 1.747 -2.096 383 HA THR 51 HA THR 51 -3.528 0.599 -0.692 384 HB THR 51 HB THR 51 -5.780 2.376 0.272 385 HG1 THR 51 HG1 THR 51 -4.225 3.874 0.459 386 1HG2 THR 51 1HG2 THR 51 -4.727 2.427 2.451 387 2HG2 THR 51 2HG2 THR 51 -3.541 1.230 1.929 388 3HG2 THR 51 3HG2 THR 51 -5.244 0.787 2.056 389 H PHE 52 H PHE 52 -3.709 -1.315 0.334 390 HA PHE 52 HA PHE 52 -6.123 -2.848 -0.028 391 1HB PHE 52 1HB PHE 52 -3.867 -3.848 -0.316 392 2HB PHE 52 2HB PHE 52 -3.571 -3.613 1.404 393 HD1 PHE 52 HD1 PHE 52 -5.583 -5.458 -1.067 394 HD2 PHE 52 HD2 PHE 52 -4.469 -5.092 3.024 395 HE1 PHE 52 HE1 PHE 52 -6.611 -7.643 -0.595 396 HE2 PHE 52 HE2 PHE 52 -5.493 -7.278 3.503 397 HZ PHE 52 HZ PHE 52 -6.566 -8.555 1.692 398 H THR 53 H THR 53 -7.773 -2.803 1.345 399 HA THR 53 HA THR 53 -7.352 -1.885 4.082 400 HB THR 53 HB THR 53 -9.911 -2.517 2.594 401 HG1 THR 53 HG1 THR 53 -8.694 -0.663 1.865 402 1HG2 THR 53 1HG2 THR 53 -9.412 -1.493 5.347 403 2HG2 THR 53 2HG2 THR 53 -10.602 -2.663 4.779 404 3HG2 THR 53 3HG2 THR 53 -10.824 -0.946 4.444 405 H VAL 54 H VAL 54 -7.152 -3.244 5.738 406 HA VAL 54 HA VAL 54 -7.306 -6.065 5.359 407 HB VAL 54 HB VAL 54 -7.172 -4.692 8.036 408 1HG1 VAL 54 1HG1 VAL 54 -6.547 -7.405 6.978 409 2HG1 VAL 54 2HG1 VAL 54 -7.368 -6.935 8.467 410 3HG1 VAL 54 3HG1 VAL 54 -5.616 -6.783 8.340 411 1HG2 VAL 54 1HG2 VAL 54 -4.648 -4.935 7.713 412 2HG2 VAL 54 2HG2 VAL 54 -5.448 -3.610 6.868 413 3HG2 VAL 54 3HG2 VAL 54 -5.004 -5.075 5.991 414 H THR 55 H THR 55 -8.627 -7.542 6.573 415 HA THR 55 HA THR 55 -11.075 -6.519 7.744 416 HB THR 55 HB THR 55 -11.130 -8.358 5.346 417 HG1 THR 55 HG1 THR 55 -11.921 -5.657 5.665 418 1HG2 THR 55 1HG2 THR 55 -12.944 -8.928 6.803 419 2HG2 THR 55 2HG2 THR 55 -13.573 -8.021 5.429 420 3HG2 THR 55 3HG2 THR 55 -13.378 -7.229 6.993 421 H GLU 56 H GLU 56 -10.013 -9.625 6.401 422 HA GLU 56 HA GLU 56 -9.780 -11.692 7.320 423 1HB GLU 56 1HB GLU 56 -9.271 -10.206 9.902 424 2HB GLU 56 2HB GLU 56 -8.775 -11.849 9.514 425 1HG GLU 56 1HG GLU 56 -7.251 -11.035 7.830 426 2HG GLU 56 2HG GLU 56 -7.802 -9.380 8.094 427 1H MET 1 1H MET 1 -10.006 18.038 2.083 428 2H MET 1 2H MET 1 -10.187 16.348 2.323 429 3H MET 1 3H MET 1 -11.282 17.196 1.309 430 HA MET 1 HA MET 1 -9.575 15.861 0.163 431 1HB MET 1 1HB MET 1 -10.053 18.797 -0.217 432 2HB MET 1 2HB MET 1 -8.978 17.942 -1.313 433 1HG MET 1 1HG MET 1 -11.608 16.701 -0.834 434 2HG MET 1 2HG MET 1 -11.605 18.220 -1.727 435 1HE MET 1 1HE MET 1 -8.527 15.975 -1.779 436 2HE MET 1 2HE MET 1 -8.790 14.873 -3.131 437 3HE MET 1 3HE MET 1 -9.708 14.673 -1.638 438 H GLN 2 H GLN 2 -7.465 15.419 -0.165 439 HA GLN 2 HA GLN 2 -5.551 16.665 1.630 440 1HB GLN 2 1HB GLN 2 -5.697 14.173 1.282 441 2HB GLN 2 2HB GLN 2 -5.074 14.427 -0.343 442 1HG GLN 2 1HG GLN 2 -2.976 15.003 0.403 443 2HG GLN 2 2HG GLN 2 -3.560 15.491 1.993 444 1HE2 GLN 2 1HE2 GLN 2 -4.082 13.872 3.518 445 2HE2 GLN 2 2HE2 GLN 2 -3.400 12.289 3.403 446 H TYR 3 H TYR 3 -4.254 18.274 1.051 447 HA TYR 3 HA TYR 3 -3.881 18.792 -1.818 448 1HB TYR 3 1HB TYR 3 -4.028 20.597 0.565 449 2HB TYR 3 2HB TYR 3 -3.180 21.125 -0.884 450 HD1 TYR 3 HD1 TYR 3 -6.340 20.873 0.725 451 HD2 TYR 3 HD2 TYR 3 -4.492 21.001 -3.105 452 HE1 TYR 3 HE1 TYR 3 -8.480 21.551 -0.278 453 HE2 TYR 3 HE2 TYR 3 -6.626 21.681 -4.119 454 HH TYR 3 HH TYR 3 -8.772 22.884 -3.262 455 H LYS 4 H LYS 4 -1.984 18.696 -2.699 456 HA LYS 4 HA LYS 4 0.384 18.315 -0.987 457 1HB LYS 4 1HB LYS 4 -0.475 16.640 -2.873 458 2HB LYS 4 2HB LYS 4 0.463 17.711 -3.905 459 1HG LYS 4 1HG LYS 4 2.431 16.969 -3.112 460 2HG LYS 4 2HG LYS 4 1.829 16.809 -1.463 461 1HD LYS 4 1HD LYS 4 2.004 14.600 -1.904 462 2HD LYS 4 2HD LYS 4 0.434 14.842 -2.670 463 1HE LYS 4 1HE LYS 4 1.710 15.330 -4.806 464 2HE LYS 4 2HE LYS 4 3.142 14.721 -3.975 465 1HZ LYS 4 1HZ LYS 4 2.340 12.594 -3.957 466 2HZ LYS 4 2HZ LYS 4 1.668 13.143 -5.408 467 3HZ LYS 4 3HZ LYS 4 0.717 13.069 -4.012 468 H VAL 5 H VAL 5 1.894 19.853 -0.921 469 HA VAL 5 HA VAL 5 2.244 21.635 -3.217 470 HB VAL 5 HB VAL 5 2.004 22.738 -0.419 471 1HG1 VAL 5 1HG1 VAL 5 2.149 24.866 -1.400 472 2HG1 VAL 5 2HG1 VAL 5 1.871 24.230 -3.022 473 3HG1 VAL 5 3HG1 VAL 5 3.398 23.911 -2.199 474 1HG2 VAL 5 1HG2 VAL 5 -0.051 22.507 -2.600 475 2HG2 VAL 5 2HG2 VAL 5 -0.151 23.746 -1.349 476 3HG2 VAL 5 3HG2 VAL 5 -0.186 22.041 -0.904 477 H ILE 6 H ILE 6 4.326 21.855 -3.697 478 HA ILE 6 HA ILE 6 6.324 20.953 -1.770 479 HB ILE 6 HB ILE 6 6.773 21.742 -4.647 480 1HG1 ILE 6 1HG1 ILE 6 6.330 18.959 -3.548 481 2HG1 ILE 6 2HG1 ILE 6 5.095 19.893 -4.386 482 1HG2 ILE 6 1HG2 ILE 6 8.402 19.964 -2.839 483 2HG2 ILE 6 2HG2 ILE 6 8.745 21.669 -3.131 484 3HG2 ILE 6 3HG2 ILE 6 8.824 20.515 -4.461 485 1HD1 ILE 6 1HD1 ILE 6 5.837 18.805 -6.190 486 2HD1 ILE 6 2HD1 ILE 6 7.386 18.412 -5.442 487 3HD1 ILE 6 3HD1 ILE 6 7.133 20.000 -6.168 488 H LEU 7 H LEU 7 7.526 22.321 -0.616 489 HA LEU 7 HA LEU 7 8.042 25.011 -1.668 490 1HB LEU 7 1HB LEU 7 6.670 24.285 0.851 491 2HB LEU 7 2HB LEU 7 7.897 25.528 0.990 492 HG LEU 7 HG LEU 7 6.542 26.509 -1.113 493 1HD1 LEU 7 1HD1 LEU 7 4.971 24.415 -0.642 494 2HD1 LEU 7 2HD1 LEU 7 4.345 25.959 -1.223 495 3HD1 LEU 7 3HD1 LEU 7 4.243 25.553 0.491 496 1HD2 LEU 7 1HD2 LEU 7 7.030 27.350 1.360 497 2HD2 LEU 7 2HD2 LEU 7 5.304 27.032 1.538 498 3HD2 LEU 7 3HD2 LEU 7 5.870 28.164 0.310 499 H ASN 8 H ASN 8 10.190 25.145 -1.896 500 HA ASN 8 HA ASN 8 11.906 24.469 0.335 501 1HB ASN 8 1HB ASN 8 11.537 22.441 -1.348 502 2HB ASN 8 2HB ASN 8 12.774 23.299 -2.263 503 1HD2 ASN 8 1HD2 ASN 8 12.986 20.718 -1.050 504 2HD2 ASN 8 2HD2 ASN 8 14.258 20.806 0.115 505 H GLY 9 H GLY 9 12.294 25.033 -3.147 506 1HA GLY 9 1HA GLY 9 12.877 27.566 -3.480 507 2HA GLY 9 2HA GLY 9 14.286 27.095 -2.542 508 H LYS 10 H LYS 10 12.465 26.170 -5.453 509 HA LYS 10 HA LYS 10 14.628 24.742 -6.619 510 1HB LYS 10 1HB LYS 10 12.285 25.957 -8.082 511 2HB LYS 10 2HB LYS 10 13.259 24.578 -8.576 512 1HG LYS 10 1HG LYS 10 12.385 23.587 -6.292 513 2HG LYS 10 2HG LYS 10 11.081 24.744 -6.568 514 1HD LYS 10 1HD LYS 10 10.933 23.743 -8.916 515 2HD LYS 10 2HD LYS 10 11.931 22.430 -8.286 516 1HE LYS 10 1HE LYS 10 10.169 22.295 -6.408 517 2HE LYS 10 2HE LYS 10 9.153 23.235 -7.500 518 1HZ LYS 10 1HZ LYS 10 8.689 20.942 -7.839 519 2HZ LYS 10 2HZ LYS 10 10.327 20.559 -8.009 520 3HZ LYS 10 3HZ LYS 10 9.549 21.482 -9.192 521 H THR 11 H THR 11 15.579 25.345 -8.756 522 HA THR 11 HA THR 11 17.041 26.666 -9.891 523 HB THR 11 HB THR 11 15.874 29.126 -10.170 524 HG1 THR 11 HG1 THR 11 13.663 28.814 -10.203 525 1HG2 THR 11 1HG2 THR 11 14.600 28.038 -12.115 526 2HG2 THR 11 2HG2 THR 11 15.447 26.565 -11.643 527 3HG2 THR 11 3HG2 THR 11 16.363 27.994 -12.123 528 H LEU 12 H LEU 12 18.458 26.603 -7.984 529 HA LEU 12 HA LEU 12 18.631 29.157 -6.548 530 1HB LEU 12 1HB LEU 12 19.957 26.497 -6.016 531 2HB LEU 12 2HB LEU 12 20.218 27.945 -5.065 532 HG LEU 12 HG LEU 12 17.513 26.654 -5.387 533 1HD1 LEU 12 1HD1 LEU 12 18.974 25.057 -4.320 534 2HD1 LEU 12 2HD1 LEU 12 17.881 25.750 -3.122 535 3HD1 LEU 12 3HD1 LEU 12 19.557 26.290 -3.203 536 1HD2 LEU 12 1HD2 LEU 12 17.482 29.011 -4.757 537 2HD2 LEU 12 2HD2 LEU 12 18.582 28.677 -3.419 538 3HD2 LEU 12 3HD2 LEU 12 16.957 27.991 -3.418 539 H LYS 13 H LYS 13 20.386 27.028 -8.706 540 HA LYS 13 HA LYS 13 22.651 28.889 -8.754 541 1HB LYS 13 1HB LYS 13 22.298 26.009 -9.386 542 2HB LYS 13 2HB LYS 13 23.480 26.893 -10.343 543 1HG LYS 13 1HG LYS 13 23.626 27.278 -7.423 544 2HG LYS 13 2HG LYS 13 24.051 25.675 -8.026 545 1HD LYS 13 1HD LYS 13 25.925 26.417 -9.064 546 2HD LYS 13 2HD LYS 13 25.205 27.973 -9.483 547 1HE LYS 13 1HE LYS 13 26.847 28.517 -7.918 548 2HE LYS 13 2HE LYS 13 25.356 28.495 -6.977 549 1HZ LYS 13 1HZ LYS 13 25.938 26.167 -6.353 550 2HZ LYS 13 2HZ LYS 13 27.001 27.336 -5.750 551 3HZ LYS 13 3HZ LYS 13 27.448 26.395 -7.082 552 H GLY 14 H GLY 14 23.700 28.878 -11.101 553 1HA GLY 14 1HA GLY 14 23.500 29.383 -13.350 554 2HA GLY 14 2HA GLY 14 21.806 28.921 -13.268 555 H GLU 15 H GLU 15 20.266 30.480 -12.512 556 HA GLU 15 HA GLU 15 21.155 33.228 -12.223 557 1HB GLU 15 1HB GLU 15 19.774 32.182 -14.641 558 2HB GLU 15 2HB GLU 15 19.262 33.749 -14.035 559 1HG GLU 15 1HG GLU 15 21.037 34.745 -14.903 560 2HG GLU 15 2HG GLU 15 22.132 33.596 -14.135 561 H THR 16 H THR 16 19.950 34.218 -10.743 562 HA THR 16 HA THR 16 17.466 32.951 -9.877 563 HB THR 16 HB THR 16 18.753 35.327 -8.556 564 HG1 THR 16 HG1 THR 16 19.513 32.610 -8.349 565 1HG2 THR 16 1HG2 THR 16 17.410 32.995 -7.244 566 2HG2 THR 16 2HG2 THR 16 16.507 34.398 -7.816 567 3HG2 THR 16 3HG2 THR 16 17.752 34.593 -6.582 568 H THR 17 H THR 17 15.485 33.987 -9.841 569 HA THR 17 HA THR 17 15.344 36.674 -11.003 570 HB THR 17 HB THR 17 13.539 34.434 -11.914 571 HG1 THR 17 HG1 THR 17 15.663 34.030 -12.611 572 1HG2 THR 17 1HG2 THR 17 12.760 36.814 -12.170 573 2HG2 THR 17 2HG2 THR 17 12.848 35.861 -13.651 574 3HG2 THR 17 3HG2 THR 17 14.107 37.041 -13.285 575 H THR 18 H THR 18 13.150 34.083 -9.884 576 HA THR 18 HA THR 18 12.194 35.775 -7.741 577 HB THR 18 HB THR 18 9.793 35.503 -8.496 578 HG1 THR 18 HG1 THR 18 11.104 34.789 -10.904 579 1HG2 THR 18 1HG2 THR 18 9.743 37.481 -9.621 580 2HG2 THR 18 2HG2 THR 18 11.168 37.098 -10.587 581 3HG2 THR 18 3HG2 THR 18 11.349 37.575 -8.899 582 H GLU 19 H GLU 19 12.068 34.494 -6.042 583 HA GLU 19 HA GLU 19 10.553 32.098 -6.004 584 1HB GLU 19 1HB GLU 19 12.344 30.501 -5.543 585 2HB GLU 19 2HB GLU 19 12.535 31.203 -7.143 586 1HG GLU 19 1HG GLU 19 14.145 32.846 -6.021 587 2HG GLU 19 2HG GLU 19 14.136 31.719 -4.666 588 H ALA 20 H ALA 20 10.109 31.429 -3.911 589 HA ALA 20 HA ALA 20 11.645 32.193 -1.655 590 1HB ALA 20 1HB ALA 20 9.653 33.688 -0.772 591 2HB ALA 20 2HB ALA 20 9.434 33.990 -2.497 592 3HB ALA 20 3HB ALA 20 10.972 34.371 -1.722 593 H VAL 21 H VAL 21 10.581 29.779 -2.475 594 HA VAL 21 HA VAL 21 8.245 29.314 -0.769 595 HB VAL 21 HB VAL 21 8.372 26.969 -1.775 596 1HG1 VAL 21 1HG1 VAL 21 6.858 27.601 -3.323 597 2HG1 VAL 21 2HG1 VAL 21 7.918 28.826 -4.018 598 3HG1 VAL 21 3HG1 VAL 21 7.031 29.169 -2.534 599 1HG2 VAL 21 1HG2 VAL 21 9.700 26.528 -3.620 600 2HG2 VAL 21 2HG2 VAL 21 10.784 27.464 -2.594 601 3HG2 VAL 21 3HG2 VAL 21 9.977 28.236 -3.959 602 H ASP 22 H ASP 22 9.321 29.514 1.232 603 HA ASP 22 HA ASP 22 11.337 27.474 1.858 604 1HB ASP 22 1HB ASP 22 11.838 29.852 2.386 605 2HB ASP 22 2HB ASP 22 10.459 29.869 3.483 606 H ALA 23 H ALA 23 11.115 26.035 3.477 607 HA ALA 23 HA ALA 23 8.683 24.863 3.976 608 1HB ALA 23 1HB ALA 23 10.501 24.516 6.201 609 2HB ALA 23 2HB ALA 23 11.330 24.424 4.645 610 3HB ALA 23 3HB ALA 23 9.967 23.353 4.984 611 H ALA 24 H ALA 24 10.369 27.283 5.939 612 HA ALA 24 HA ALA 24 8.496 27.332 8.066 613 1HB ALA 24 1HB ALA 24 9.586 29.539 8.599 614 2HB ALA 24 2HB ALA 24 10.580 29.306 7.161 615 3HB ALA 24 3HB ALA 24 10.677 28.157 8.496 616 H THR 25 H THR 25 8.653 28.920 4.962 617 HA THR 25 HA THR 25 6.856 31.030 5.433 618 HB THR 25 HB THR 25 7.466 29.507 2.889 619 HG1 THR 25 HG1 THR 25 8.945 31.084 2.533 620 1HG2 THR 25 1HG2 THR 25 5.694 31.803 3.349 621 2HG2 THR 25 2HG2 THR 25 5.706 30.606 2.051 622 3HG2 THR 25 3HG2 THR 25 6.841 31.958 2.018 623 H PHE 26 H PHE 26 6.374 27.686 4.478 624 HA PHE 26 HA PHE 26 3.581 27.894 3.994 625 1HB PHE 26 1HB PHE 26 5.206 26.023 3.261 626 2HB PHE 26 2HB PHE 26 4.939 25.357 4.870 627 HD1 PHE 26 HD1 PHE 26 3.065 26.560 1.888 628 HD2 PHE 26 HD2 PHE 26 3.174 23.910 5.216 629 HE1 PHE 26 HE1 PHE 26 1.001 25.482 1.092 630 HE2 PHE 26 HE2 PHE 26 1.111 22.826 4.426 631 HZ PHE 26 HZ PHE 26 0.022 23.612 2.361 632 H GLU 27 H GLU 27 5.455 26.699 6.766 633 HA GLU 27 HA GLU 27 3.377 25.974 8.435 634 1HB GLU 27 1HB GLU 27 6.073 27.138 9.130 635 2HB GLU 27 2HB GLU 27 4.982 26.422 10.308 636 1HG GLU 27 1HG GLU 27 5.096 24.291 9.116 637 2HG GLU 27 2HG GLU 27 6.196 25.011 7.942 638 H LYS 28 H LYS 28 5.041 29.138 8.422 639 HA LYS 28 HA LYS 28 3.371 30.293 10.366 640 1HB LYS 28 1HB LYS 28 5.625 31.126 9.750 641 2HB LYS 28 2HB LYS 28 4.964 31.710 8.229 642 1HG LYS 28 1HG LYS 28 3.727 33.383 9.262 643 2HG LYS 28 2HG LYS 28 3.813 32.601 10.843 644 1HD LYS 28 1HD LYS 28 6.291 33.577 9.465 645 2HD LYS 28 2HD LYS 28 5.282 34.677 10.408 646 1HE LYS 28 1HE LYS 28 6.183 32.081 11.588 647 2HE LYS 28 2HE LYS 28 7.284 33.458 11.541 648 1HZ LYS 28 1HZ LYS 28 6.193 33.555 13.604 649 2HZ LYS 28 2HZ LYS 28 4.672 33.268 12.923 650 3HZ LYS 28 3HZ LYS 28 5.450 34.744 12.657 651 H VAL 29 H VAL 29 3.304 30.664 6.799 652 HA VAL 29 HA VAL 29 1.106 32.411 6.756 653 HB VAL 29 HB VAL 29 1.966 30.478 4.600 654 1HG1 VAL 29 1HG1 VAL 29 -0.310 31.402 4.289 655 2HG1 VAL 29 2HG1 VAL 29 0.825 31.949 3.053 656 3HG1 VAL 29 3HG1 VAL 29 0.368 33.030 4.369 657 1HG2 VAL 29 1HG2 VAL 29 3.566 31.942 3.931 658 2HG2 VAL 29 2HG2 VAL 29 3.557 32.348 5.647 659 3HG2 VAL 29 3HG2 VAL 29 2.671 33.352 4.499 660 H VAL 30 H VAL 30 1.260 28.875 6.549 661 HA VAL 30 HA VAL 30 -1.522 28.575 6.040 662 HB VAL 30 HB VAL 30 0.432 26.520 7.090 663 1HG1 VAL 30 1HG1 VAL 30 -1.269 24.938 6.008 664 2HG1 VAL 30 2HG1 VAL 30 -2.390 26.297 6.084 665 3HG1 VAL 30 3HG1 VAL 30 -1.692 25.647 7.567 666 1HG2 VAL 30 1HG2 VAL 30 -0.563 26.668 4.276 667 2HG2 VAL 30 2HG2 VAL 30 0.910 25.932 4.906 668 3HG2 VAL 30 3HG2 VAL 30 0.781 27.687 4.789 669 H LYS 31 H LYS 31 0.414 28.279 9.051 670 HA LYS 31 HA LYS 31 -1.751 27.524 10.671 671 1HB LYS 31 1HB LYS 31 0.716 27.388 11.225 672 2HB LYS 31 2HB LYS 31 0.667 29.118 11.530 673 1HG LYS 31 1HG LYS 31 -1.057 28.715 13.263 674 2HG LYS 31 2HG LYS 31 -0.852 26.980 13.005 675 1HD LYS 31 1HD LYS 31 1.440 27.086 13.708 676 2HD LYS 31 2HD LYS 31 1.383 28.848 13.783 677 1HE LYS 31 1HE LYS 31 -0.087 28.807 15.644 678 2HE LYS 31 2HE LYS 31 -0.380 27.078 15.459 679 1HZ LYS 31 1HZ LYS 31 1.807 26.590 16.173 680 2HZ LYS 31 2HZ LYS 31 1.187 27.707 17.282 681 3HZ LYS 31 3HZ LYS 31 2.284 28.211 16.099 682 H GLN 32 H GLN 32 -0.336 30.681 9.919 683 HA GLN 32 HA GLN 32 -2.016 32.207 11.578 684 1HB GLN 32 1HB GLN 32 0.109 33.009 10.546 685 2HB GLN 32 2HB GLN 32 -0.715 33.077 8.993 686 1HG GLN 32 1HG GLN 32 -1.961 34.906 9.574 687 2HG GLN 32 2HG GLN 32 -1.887 34.546 11.297 688 1HE2 GLN 32 1HE2 GLN 32 0.581 34.469 12.018 689 2HE2 GLN 32 2HE2 GLN 32 1.460 35.896 11.602 690 H PHE 33 H PHE 33 -2.300 31.351 8.113 691 HA PHE 33 HA PHE 33 -4.704 32.773 7.720 692 1HB PHE 33 1HB PHE 33 -3.549 32.404 5.759 693 2HB PHE 33 2HB PHE 33 -3.113 30.762 6.198 694 HD1 PHE 33 HD1 PHE 33 -6.337 32.602 5.629 695 HD2 PHE 33 HD2 PHE 33 -3.903 29.216 4.779 696 HE1 PHE 33 HE1 PHE 33 -8.094 31.710 4.147 697 HE2 PHE 33 HE2 PHE 33 -5.656 28.315 3.309 698 HZ PHE 33 HZ PHE 33 -7.754 29.554 2.994 699 H PHE 34 H PHE 34 -4.070 29.341 8.417 700 HA PHE 34 HA PHE 34 -6.851 28.699 8.350 701 1HB PHE 34 1HB PHE 34 -4.377 27.168 8.999 702 2HB PHE 34 2HB PHE 34 -5.948 26.504 9.452 703 HD1 PHE 34 HD1 PHE 34 -3.927 27.707 6.598 704 HD2 PHE 34 HD2 PHE 34 -7.395 25.577 7.842 705 HE1 PHE 34 HE1 PHE 34 -4.306 26.976 4.281 706 HE2 PHE 34 HE2 PHE 34 -7.778 24.838 5.527 707 HZ PHE 34 HZ PHE 34 -6.238 25.548 3.740 708 H ASN 35 H ASN 35 -4.612 29.541 10.941 709 HA ASN 35 HA ASN 35 -6.139 28.706 13.121 710 1HB ASN 35 1HB ASN 35 -4.145 30.909 12.739 711 2HB ASN 35 2HB ASN 35 -5.048 30.818 14.245 712 1HD2 ASN 35 1HD2 ASN 35 -4.114 27.947 12.441 713 2HD2 ASN 35 2HD2 ASN 35 -2.941 27.398 13.582 714 H ASP 36 H ASP 36 -6.518 31.450 11.021 715 HA ASP 36 HA ASP 36 -8.289 32.994 12.554 716 1HB ASP 36 1HB ASP 36 -8.053 32.772 9.549 717 2HB ASP 36 2HB ASP 36 -8.909 34.048 10.410 718 H ASN 37 H ASN 37 -8.786 29.995 10.994 719 HA ASN 37 HA ASN 37 -11.704 30.395 11.007 720 1HB ASN 37 1HB ASN 37 -11.905 28.520 9.502 721 2HB ASN 37 2HB ASN 37 -10.710 29.643 8.862 722 1HD2 ASN 37 1HD2 ASN 37 -9.082 28.641 7.972 723 2HD2 ASN 37 2HD2 ASN 37 -8.362 27.167 8.514 724 H GLY 38 H GLY 38 -9.165 28.684 12.610 725 1HA GLY 38 1HA GLY 38 -10.024 27.961 14.886 726 2HA GLY 38 2HA GLY 38 -11.184 27.012 13.976 727 H VAL 39 H VAL 39 -8.059 27.118 12.552 728 HA VAL 39 HA VAL 39 -7.662 24.325 13.270 729 HB VAL 39 HB VAL 39 -5.977 26.031 11.432 730 1HG1 VAL 39 1HG1 VAL 39 -4.766 24.099 12.124 731 2HG1 VAL 39 2HG1 VAL 39 -5.354 23.789 10.491 732 3HG1 VAL 39 3HG1 VAL 39 -6.167 23.057 11.875 733 1HG2 VAL 39 1HG2 VAL 39 -7.373 24.405 9.783 734 2HG2 VAL 39 2HG2 VAL 39 -7.842 26.060 10.168 735 3HG2 VAL 39 3HG2 VAL 39 -8.576 24.711 11.036 736 H ASP 40 H ASP 40 -5.897 23.526 14.400 737 HA ASP 40 HA ASP 40 -3.815 25.311 15.310 738 1HB ASP 40 1HB ASP 40 -5.887 24.191 17.194 739 2HB ASP 40 2HB ASP 40 -4.293 24.697 17.744 740 H GLY 41 H GLY 41 -2.471 24.014 17.079 741 1HA GLY 41 1HA GLY 41 -1.888 21.692 17.735 742 2HA GLY 41 2HA GLY 41 -2.186 21.252 16.060 743 H GLU 42 H GLU 42 -0.152 20.470 15.618 744 HA GLU 42 HA GLU 42 1.888 22.501 15.211 745 1HB GLU 42 1HB GLU 42 2.307 20.066 16.945 746 2HB GLU 42 2HB GLU 42 3.631 20.996 16.258 747 1HG GLU 42 1HG GLU 42 2.762 22.998 17.436 748 2HG GLU 42 2HG GLU 42 1.556 21.970 18.207 749 H TRP 43 H TRP 43 3.595 21.813 13.784 750 HA TRP 43 HA TRP 43 2.638 20.096 11.706 751 1HB TRP 43 1HB TRP 43 5.224 21.594 12.100 752 2HB TRP 43 2HB TRP 43 4.912 20.588 10.688 753 HD1 TRP 43 HD1 TRP 43 4.128 23.975 12.166 754 HE1 TRP 43 HE1 TRP 43 2.756 25.348 10.476 755 HE3 TRP 43 HE3 TRP 43 3.101 20.293 8.770 756 HZ2 TRP 43 HZ2 TRP 43 1.417 24.926 8.028 757 HZ3 TRP 43 HZ3 TRP 43 1.767 20.861 6.782 758 HH2 TRP 43 HH2 TRP 43 0.943 23.131 6.420 759 H THR 44 H THR 44 2.770 18.007 11.652 760 HA THR 44 HA THR 44 4.943 16.675 13.120 761 HB THR 44 HB THR 44 3.480 14.710 13.226 762 HG1 THR 44 HG1 THR 44 1.926 14.596 11.846 763 1HG2 THR 44 1HG2 THR 44 2.019 15.406 14.873 764 2HG2 THR 44 2HG2 THR 44 1.753 16.977 14.117 765 3HG2 THR 44 3HG2 THR 44 3.284 16.633 14.921 766 H TYR 45 H TYR 45 6.168 15.177 12.124 767 HA TYR 45 HA TYR 45 6.434 15.341 9.293 768 1HB TYR 45 1HB TYR 45 7.783 13.735 11.437 769 2HB TYR 45 2HB TYR 45 8.067 13.354 9.741 770 HD1 TYR 45 HD1 TYR 45 8.833 15.595 12.467 771 HD2 TYR 45 HD2 TYR 45 9.052 15.104 8.246 772 HE1 TYR 45 HE1 TYR 45 10.531 17.372 12.353 773 HE2 TYR 45 HE2 TYR 45 10.749 16.878 8.120 774 HH TYR 45 HH TYR 45 11.270 19.060 9.945 775 H ASP 46 H ASP 46 5.988 13.835 7.712 776 HA ASP 46 HA ASP 46 3.718 12.169 8.165 777 1HB ASP 46 1HB ASP 46 5.509 12.693 5.808 778 2HB ASP 46 2HB ASP 46 4.303 11.414 5.746 779 H ASP 47 H ASP 47 3.618 9.867 7.672 780 HA ASP 47 HA ASP 47 5.570 8.383 9.081 781 1HB ASP 47 1HB ASP 47 3.102 7.802 8.728 782 2HB ASP 47 2HB ASP 47 3.582 7.202 7.144 783 H ALA 48 H ALA 48 7.406 7.452 8.423 784 HA ALA 48 HA ALA 48 8.607 8.020 5.992 785 1HB ALA 48 1HB ALA 48 10.335 6.507 6.621 786 2HB ALA 48 2HB ALA 48 9.256 5.632 7.706 787 3HB ALA 48 3HB ALA 48 9.746 7.282 8.092 788 H THR 49 H THR 49 8.897 6.959 4.086 789 HA THR 49 HA THR 49 7.485 4.423 3.667 790 HB THR 49 HB THR 49 7.317 6.694 1.687 791 HG1 THR 49 HG1 THR 49 6.236 7.317 3.576 792 1HG2 THR 49 1HG2 THR 49 6.891 4.424 0.823 793 2HG2 THR 49 2HG2 THR 49 5.483 5.483 0.736 794 3HG2 THR 49 3HG2 THR 49 5.587 4.256 1.998 795 H LYS 50 H LYS 50 8.230 3.235 1.780 796 HA LYS 50 HA LYS 50 10.925 4.053 0.910 797 1HB LYS 50 1HB LYS 50 9.929 1.383 1.852 798 2HB LYS 50 2HB LYS 50 11.302 1.486 0.756 799 1HG LYS 50 1HG LYS 50 12.634 2.564 2.328 800 2HG LYS 50 2HG LYS 50 11.249 3.051 3.308 801 1HD LYS 50 1HD LYS 50 10.894 0.482 3.578 802 2HD LYS 50 2HD LYS 50 12.592 0.387 3.108 803 1HE LYS 50 1HE LYS 50 13.251 1.749 4.958 804 2HE LYS 50 2HE LYS 50 11.571 2.116 5.354 805 1HZ LYS 50 1HZ LYS 50 13.032 -0.425 5.714 806 2HZ LYS 50 2HZ LYS 50 11.341 -0.388 5.676 807 3HZ LYS 50 3HZ LYS 50 12.178 0.477 6.864 808 H THR 51 H THR 51 11.052 4.374 -1.187 809 HA THR 51 HA THR 51 9.152 3.013 -2.971 810 HB THR 51 HB THR 51 10.690 5.601 -3.276 811 HG1 THR 51 HG1 THR 51 8.742 6.529 -3.095 812 1HG2 THR 51 1HG2 THR 51 9.580 5.945 -5.398 813 2HG2 THR 51 2HG2 THR 51 8.845 4.346 -5.298 814 3HG2 THR 51 3HG2 THR 51 10.595 4.503 -5.464 815 H PHE 52 H PHE 52 9.873 1.632 -4.494 816 HA PHE 52 HA PHE 52 12.659 0.890 -4.470 817 1HB PHE 52 1HB PHE 52 10.842 -0.801 -4.592 818 2HB PHE 52 2HB PHE 52 10.410 -0.186 -6.184 819 HD1 PHE 52 HD1 PHE 52 13.010 -1.937 -4.252 820 HD2 PHE 52 HD2 PHE 52 11.649 -0.781 -8.114 821 HE1 PHE 52 HE1 PHE 52 14.646 -3.459 -5.280 822 HE2 PHE 52 HE2 PHE 52 13.282 -2.302 -9.149 823 HZ PHE 52 HZ PHE 52 14.784 -3.644 -7.731 824 H THR 53 H THR 53 14.148 1.842 -5.692 825 HA THR 53 HA THR 53 13.335 3.327 -8.068 826 HB THR 53 HB THR 53 16.029 3.127 -6.701 827 HG1 THR 53 HG1 THR 53 14.336 4.219 -5.529 828 1HG2 THR 53 1HG2 THR 53 15.111 4.690 -9.066 829 2HG2 THR 53 2HG2 THR 53 16.629 3.834 -8.803 830 3HG2 THR 53 3HG2 THR 53 16.325 5.362 -7.978 831 H VAL 54 H VAL 54 13.494 2.511 -10.051 832 HA VAL 54 HA VAL 54 14.536 -0.106 -10.491 833 HB VAL 54 HB VAL 54 13.860 1.866 -12.663 834 1HG1 VAL 54 1HG1 VAL 54 14.166 -1.089 -12.462 835 2HG1 VAL 54 2HG1 VAL 54 14.728 0.022 -13.711 836 3HG1 VAL 54 3HG1 VAL 54 13.023 -0.425 -13.631 837 1HG2 VAL 54 1HG2 VAL 54 11.557 0.765 -12.547 838 2HG2 VAL 54 2HG2 VAL 54 11.939 1.971 -11.319 839 3HG2 VAL 54 3HG2 VAL 54 12.017 0.253 -10.923 840 H THR 55 H THR 55 16.196 -0.681 -12.015 841 HA THR 55 HA THR 55 18.148 1.343 -12.720 842 HB THR 55 HB THR 55 18.882 -0.994 -10.951 843 HG1 THR 55 HG1 THR 55 18.774 1.792 -10.444 844 1HG2 THR 55 1HG2 THR 55 20.717 -0.528 -12.420 845 2HG2 THR 55 2HG2 THR 55 21.092 0.100 -10.814 846 3HG2 THR 55 3HG2 THR 55 20.589 1.201 -12.096 847 H GLU 56 H GLU 56 18.170 -2.185 -12.378 848 HA GLU 56 HA GLU 56 18.553 -3.866 -13.860 849 1HB GLU 56 1HB GLU 56 17.489 -1.940 -15.929 850 2HB GLU 56 2HB GLU 56 17.548 -3.693 -16.052 851 1HG GLU 56 1HG GLU 56 15.925 -3.912 -14.280 852 2HG GLU 56 2HG GLU 56 15.920 -2.166 -14.033 853 1H MET 1 1H MET 1 5.159 -1.269 7.696 854 2H MET 1 2H MET 1 4.610 0.144 8.498 855 3H MET 1 3H MET 1 6.119 -0.553 8.922 856 HA MET 1 HA MET 1 6.218 1.463 7.528 857 1HB MET 1 1HB MET 1 7.436 -1.196 6.866 858 2HB MET 1 2HB MET 1 7.833 0.210 5.885 859 1HG MET 1 1HG MET 1 8.051 0.548 8.806 860 2HG MET 1 2HG MET 1 9.221 -0.530 8.049 861 1HE MET 1 1HE MET 1 7.613 2.266 6.019 862 2HE MET 1 2HE MET 1 8.660 3.664 6.261 863 3HE MET 1 3HE MET 1 7.599 3.121 7.562 864 H GLN 2 H GLN 2 5.645 2.483 5.687 865 HA GLN 2 HA GLN 2 3.639 1.200 4.022 866 1HB GLN 2 1HB GLN 2 3.405 3.550 4.904 867 2HB GLN 2 2HB GLN 2 4.706 4.019 3.816 868 1HG GLN 2 1HG GLN 2 3.415 3.745 1.933 869 2HG GLN 2 2HG GLN 2 2.310 2.621 2.724 870 1HE2 GLN 2 1HE2 GLN 2 0.735 3.452 4.157 871 2HE2 GLN 2 2HE2 GLN 2 0.211 5.094 4.047 872 H TYR 3 H TYR 3 4.080 0.245 2.153 873 HA TYR 3 HA TYR 3 6.655 0.834 0.867 874 1HB TYR 3 1HB TYR 3 4.992 -1.650 1.032 875 2HB TYR 3 2HB TYR 3 6.119 -1.437 -0.303 876 HD1 TYR 3 HD1 TYR 3 5.746 -2.512 3.064 877 HD2 TYR 3 HD2 TYR 3 8.565 -0.888 0.324 878 HE1 TYR 3 HE1 TYR 3 7.584 -3.304 4.494 879 HE2 TYR 3 HE2 TYR 3 10.411 -1.676 1.743 880 HH TYR 3 HH TYR 3 10.700 -3.576 3.502 881 H LYS 4 H LYS 4 6.743 1.675 -1.049 882 HA LYS 4 HA LYS 4 4.255 2.011 -2.591 883 1HB LYS 4 1HB LYS 4 5.860 3.967 -1.760 884 2HB LYS 4 2HB LYS 4 6.711 3.569 -3.245 885 1HG LYS 4 1HG LYS 4 5.109 4.448 -4.555 886 2HG LYS 4 2HG LYS 4 3.800 3.889 -3.513 887 1HD LYS 4 1HD LYS 4 3.603 6.090 -3.045 888 2HD LYS 4 2HD LYS 4 4.916 5.752 -1.915 889 1HE LYS 4 1HE LYS 4 6.501 6.339 -3.805 890 2HE LYS 4 2HE LYS 4 5.092 6.956 -4.667 891 1HZ LYS 4 1HZ LYS 4 4.848 8.689 -3.218 892 2HZ LYS 4 2HZ LYS 4 6.531 8.524 -3.191 893 3HZ LYS 4 3HZ LYS 4 5.599 7.888 -1.931 894 H VAL 5 H VAL 5 4.019 0.951 -4.454 895 HA VAL 5 HA VAL 5 6.391 0.194 -5.995 896 HB VAL 5 HB VAL 5 4.220 -1.816 -5.396 897 1HG1 VAL 5 1HG1 VAL 5 5.563 -3.386 -6.511 898 2HG1 VAL 5 2HG1 VAL 5 6.975 -2.328 -6.479 899 3HG1 VAL 5 3HG1 VAL 5 5.610 -1.948 -7.530 900 1HG2 VAL 5 1HG2 VAL 5 6.867 -1.360 -4.051 901 2HG2 VAL 5 2HG2 VAL 5 6.075 -2.936 -4.045 902 3HG2 VAL 5 3HG2 VAL 5 5.274 -1.544 -3.318 903 H ILE 6 H ILE 6 6.124 0.656 -8.076 904 HA ILE 6 HA ILE 6 3.451 1.304 -9.049 905 HB ILE 6 HB ILE 6 6.072 1.669 -10.498 906 1HG1 ILE 6 1HG1 ILE 6 4.570 3.723 -8.861 907 2HG1 ILE 6 2HG1 ILE 6 5.996 2.861 -8.289 908 1HG2 ILE 6 1HG2 ILE 6 3.427 3.061 -10.877 909 2HG2 ILE 6 2HG2 ILE 6 3.979 1.693 -11.843 910 3HG2 ILE 6 3HG2 ILE 6 4.870 3.217 -11.880 911 1HD1 ILE 6 1HD1 ILE 6 7.095 4.638 -9.079 912 2HD1 ILE 6 2HD1 ILE 6 5.769 5.116 -10.137 913 3HD1 ILE 6 3HD1 ILE 6 6.892 3.855 -10.646 914 H LEU 7 H LEU 7 2.306 -0.044 -10.284 915 HA LEU 7 HA LEU 7 3.716 -2.009 -11.944 916 1HB LEU 7 1HB LEU 7 1.766 -2.533 -9.783 917 2HB LEU 7 2HB LEU 7 1.498 -3.417 -11.272 918 HG LEU 7 HG LEU 7 4.117 -3.921 -10.949 919 1HD1 LEU 7 1HD1 LEU 7 3.748 -2.552 -8.697 920 2HD1 LEU 7 2HD1 LEU 7 4.877 -3.903 -8.814 921 3HD1 LEU 7 3HD1 LEU 7 3.274 -4.149 -8.121 922 1HD2 LEU 7 1HD2 LEU 7 1.916 -5.407 -11.007 923 2HD2 LEU 7 2HD2 LEU 7 2.299 -5.591 -9.296 924 3HD2 LEU 7 3HD2 LEU 7 3.476 -6.070 -10.518 925 H ASN 8 H ASN 8 3.179 -1.544 -13.986 926 HA ASN 8 HA ASN 8 0.392 -1.277 -14.712 927 1HB ASN 8 1HB ASN 8 1.544 1.055 -14.133 928 2HB ASN 8 2HB ASN 8 2.133 0.888 -15.785 929 1HD2 ASN 8 1HD2 ASN 8 0.341 2.872 -14.783 930 2HD2 ASN 8 2HD2 ASN 8 -1.146 2.697 -15.644 931 H GLY 9 H GLY 9 3.560 -0.542 -16.120 932 1HA GLY 9 1HA GLY 9 3.776 -2.807 -17.735 933 2HA GLY 9 2HA GLY 9 2.943 -1.576 -18.675 934 H LYS 10 H LYS 10 4.134 0.716 -18.146 935 HA LYS 10 HA LYS 10 5.927 2.013 -18.661 936 1HB LYS 10 1HB LYS 10 7.558 -0.266 -17.534 937 2HB LYS 10 2HB LYS 10 8.070 1.407 -17.708 938 1HG LYS 10 1HG LYS 10 6.763 2.131 -15.947 939 2HG LYS 10 2HG LYS 10 5.673 0.747 -16.055 940 1HD LYS 10 1HD LYS 10 6.850 0.065 -14.244 941 2HD LYS 10 2HD LYS 10 7.955 -0.537 -15.482 942 1HE LYS 10 1HE LYS 10 9.546 0.970 -14.973 943 2HE LYS 10 2HE LYS 10 8.377 2.264 -14.711 944 1HZ LYS 10 1HZ LYS 10 7.834 1.088 -12.562 945 2HZ LYS 10 2HZ LYS 10 9.345 1.844 -12.634 946 3HZ LYS 10 3HZ LYS 10 9.232 0.166 -12.806 947 H THR 11 H THR 11 8.112 2.005 -19.877 948 HA THR 11 HA THR 11 9.140 1.756 -21.889 949 HB THR 11 HB THR 11 9.811 -0.456 -22.499 950 HG1 THR 11 HG1 THR 11 8.317 -1.912 -22.464 951 1HG2 THR 11 1HG2 THR 11 9.893 0.349 -19.749 952 2HG2 THR 11 2HG2 THR 11 11.098 -0.510 -20.708 953 3HG2 THR 11 3HG2 THR 11 9.825 -1.408 -19.882 954 H LEU 12 H LEU 12 7.899 2.806 -23.354 955 HA LEU 12 HA LEU 12 5.605 1.429 -24.526 956 1HB LEU 12 1HB LEU 12 6.598 4.266 -24.658 957 2HB LEU 12 2HB LEU 12 5.332 3.677 -25.719 958 HG LEU 12 HG LEU 12 4.993 3.297 -22.782 959 1HD1 LEU 12 1HD1 LEU 12 4.479 5.908 -24.197 960 2HD1 LEU 12 2HD1 LEU 12 5.747 5.621 -23.005 961 3HD1 LEU 12 3HD1 LEU 12 4.050 5.517 -22.532 962 1HD2 LEU 12 1HD2 LEU 12 3.261 3.626 -25.195 963 2HD2 LEU 12 2HD2 LEU 12 2.616 3.961 -23.589 964 3HD2 LEU 12 3HD2 LEU 12 3.246 2.359 -23.968 965 H LYS 13 H LYS 13 7.088 -0.137 -25.547 966 HA LYS 13 HA LYS 13 7.832 0.806 -28.210 967 1HB LYS 13 1HB LYS 13 9.703 -0.968 -26.650 968 2HB LYS 13 2HB LYS 13 10.005 -0.150 -28.177 969 1HG LYS 13 1HG LYS 13 9.818 2.023 -26.942 970 2HG LYS 13 2HG LYS 13 9.782 1.087 -25.446 971 1HD LYS 13 1HD LYS 13 11.979 0.706 -27.450 972 2HD LYS 13 2HD LYS 13 12.044 2.019 -26.274 973 1HE LYS 13 1HE LYS 13 11.498 -0.779 -25.373 974 2HE LYS 13 2HE LYS 13 13.151 -0.271 -25.722 975 1HZ LYS 13 1HZ LYS 13 11.314 1.012 -23.771 976 2HZ LYS 13 2HZ LYS 13 12.887 1.525 -24.116 977 3HZ LYS 13 3HZ LYS 13 12.631 0.019 -23.390 978 H GLY 14 H GLY 14 8.849 -1.437 -29.304 979 1HA GLY 14 1HA GLY 14 6.569 -3.035 -29.742 980 2HA GLY 14 2HA GLY 14 8.201 -3.415 -30.274 981 H GLU 15 H GLU 15 9.312 -4.993 -29.263 982 HA GLU 15 HA GLU 15 9.737 -6.773 -27.914 983 1HB GLU 15 1HB GLU 15 8.394 -4.913 -25.963 984 2HB GLU 15 2HB GLU 15 8.984 -6.496 -25.474 985 1HG GLU 15 1HG GLU 15 11.210 -5.920 -25.873 986 2HG GLU 15 2HG GLU 15 10.767 -4.519 -26.847 987 H THR 16 H THR 16 8.535 -8.334 -26.246 988 HA THR 16 HA THR 16 6.480 -9.579 -27.683 989 HB THR 16 HB THR 16 7.899 -10.801 -26.122 990 HG1 THR 16 HG1 THR 16 6.340 -12.136 -25.685 991 1HG2 THR 16 1HG2 THR 16 7.849 -10.599 -23.801 992 2HG2 THR 16 2HG2 THR 16 6.408 -9.583 -23.830 993 3HG2 THR 16 3HG2 THR 16 7.952 -8.941 -24.390 994 H THR 17 H THR 17 4.257 -9.816 -27.252 995 HA THR 17 HA THR 17 2.909 -7.445 -26.565 996 HB THR 17 HB THR 17 0.911 -9.204 -26.424 997 HG1 THR 17 HG1 THR 17 2.155 -11.051 -26.443 998 1HG2 THR 17 1HG2 THR 17 2.338 -8.606 -29.003 999 2HG2 THR 17 2HG2 THR 17 1.153 -7.566 -28.214 1000 3HG2 THR 17 3HG2 THR 17 0.668 -9.144 -28.835 1001 H THR 18 H THR 18 0.863 -7.837 -24.966 1002 HA THR 18 HA THR 18 0.191 -7.806 -22.797 1003 HB THR 18 HB THR 18 0.579 -9.714 -21.486 1004 HG1 THR 18 HG1 THR 18 2.593 -10.165 -21.165 1005 1HG2 THR 18 1HG2 THR 18 1.120 -10.687 -24.279 1006 2HG2 THR 18 2HG2 THR 18 -0.474 -10.335 -23.612 1007 3HG2 THR 18 3HG2 THR 18 0.499 -11.637 -22.930 1008 H GLU 19 H GLU 19 1.227 -7.945 -20.394 1009 HA GLU 19 HA GLU 19 3.680 -6.318 -20.420 1010 1HB GLU 19 1HB GLU 19 2.757 -4.913 -18.643 1011 2HB GLU 19 2HB GLU 19 1.750 -4.845 -20.083 1012 1HG GLU 19 1HG GLU 19 0.988 -6.881 -18.106 1013 2HG GLU 19 2HG GLU 19 0.814 -5.208 -17.583 1014 H ALA 20 H ALA 20 4.661 -6.184 -18.165 1015 HA ALA 20 HA ALA 20 4.597 -8.872 -16.994 1016 1HB ALA 20 1HB ALA 20 6.776 -7.751 -15.876 1017 2HB ALA 20 2HB ALA 20 6.701 -6.851 -17.391 1018 3HB ALA 20 3HB ALA 20 6.796 -8.611 -17.415 1019 H VAL 21 H VAL 21 4.666 -5.458 -16.068 1020 HA VAL 21 HA VAL 21 3.864 -6.183 -13.345 1021 HB VAL 21 HB VAL 21 4.160 -3.678 -12.933 1022 1HG1 VAL 21 1HG1 VAL 21 6.253 -4.091 -12.202 1023 2HG1 VAL 21 2HG1 VAL 21 6.792 -4.715 -13.762 1024 3HG1 VAL 21 3HG1 VAL 21 5.858 -5.743 -12.676 1025 1HG2 VAL 21 1HG2 VAL 21 5.243 -2.331 -14.477 1026 2HG2 VAL 21 2HG2 VAL 21 4.145 -3.265 -15.494 1027 3HG2 VAL 21 3HG2 VAL 21 5.851 -3.703 -15.402 1028 H ASP 22 H ASP 22 1.720 -6.781 -13.841 1029 HA ASP 22 HA ASP 22 -0.062 -4.653 -14.796 1030 1HB ASP 22 1HB ASP 22 -0.148 -6.875 -15.910 1031 2HB ASP 22 2HB ASP 22 -0.634 -7.594 -14.376 1032 H ALA 23 H ALA 23 -1.787 -3.947 -13.670 1033 HA ALA 23 HA ALA 23 -1.640 -3.634 -10.947 1034 1HB ALA 23 1HB ALA 23 -4.383 -3.634 -11.865 1035 2HB ALA 23 2HB ALA 23 -3.303 -2.824 -13.002 1036 3HB ALA 23 3HB ALA 23 -3.373 -2.293 -11.321 1037 H ALA 24 H ALA 24 -3.435 -6.095 -12.756 1038 HA ALA 24 HA ALA 24 -4.666 -7.309 -10.510 1039 1HB ALA 24 1HB ALA 24 -5.008 -9.236 -12.095 1040 2HB ALA 24 2HB ALA 24 -4.126 -8.297 -13.301 1041 3HB ALA 24 3HB ALA 24 -5.640 -7.682 -12.640 1042 H THR 25 H THR 25 -1.542 -7.665 -12.028 1043 HA THR 25 HA THR 25 -0.811 -10.176 -10.996 1044 HB THR 25 HB THR 25 0.897 -7.781 -11.714 1045 HG1 THR 25 HG1 THR 25 1.065 -8.739 -13.679 1046 1HG2 THR 25 1HG2 THR 25 1.669 -10.453 -10.773 1047 2HG2 THR 25 2HG2 THR 25 2.551 -8.924 -10.731 1048 3HG2 THR 25 3HG2 THR 25 2.492 -9.870 -12.221 1049 H PHE 26 H PHE 26 -0.580 -6.927 -9.686 1050 HA PHE 26 HA PHE 26 0.912 -7.623 -7.370 1051 1HB PHE 26 1HB PHE 26 0.538 -5.283 -8.399 1052 2HB PHE 26 2HB PHE 26 -0.975 -5.285 -7.499 1053 HD1 PHE 26 HD1 PHE 26 2.676 -5.822 -7.022 1054 HD2 PHE 26 HD2 PHE 26 -0.999 -4.510 -5.324 1055 HE1 PHE 26 HE1 PHE 26 3.879 -5.068 -5.012 1056 HE2 PHE 26 HE2 PHE 26 0.197 -3.752 -3.312 1057 HZ PHE 26 HZ PHE 26 2.638 -4.031 -3.154 1058 H GLU 27 H GLU 27 -2.549 -7.025 -7.906 1059 HA GLU 27 HA GLU 27 -3.478 -7.429 -5.338 1060 1HB GLU 27 1HB GLU 27 -4.796 -8.074 -7.973 1061 2HB GLU 27 2HB GLU 27 -5.636 -8.084 -6.429 1062 1HG GLU 27 1HG GLU 27 -5.115 -5.715 -6.131 1063 2HG GLU 27 2HG GLU 27 -4.281 -5.708 -7.685 1064 H LYS 28 H LYS 28 -3.309 -9.904 -7.911 1065 HA LYS 28 HA LYS 28 -4.181 -12.014 -6.272 1066 1HB LYS 28 1HB LYS 28 -4.236 -12.021 -8.752 1067 2HB LYS 28 2HB LYS 28 -2.487 -12.195 -8.764 1068 1HG LYS 28 1HG LYS 28 -2.571 -14.365 -7.936 1069 2HG LYS 28 2HG LYS 28 -4.213 -14.169 -7.322 1070 1HD LYS 28 1HD LYS 28 -3.630 -13.995 -10.259 1071 2HD LYS 28 2HD LYS 28 -3.852 -15.556 -9.468 1072 1HE LYS 28 1HE LYS 28 -5.864 -13.380 -9.084 1073 2HE LYS 28 2HE LYS 28 -5.888 -14.352 -10.554 1074 1HZ LYS 28 1HZ LYS 28 -7.329 -15.401 -9.044 1075 2HZ LYS 28 2HZ LYS 28 -6.238 -15.270 -7.759 1076 3HZ LYS 28 3HZ LYS 28 -5.921 -16.339 -9.032 1077 H VAL 29 H VAL 29 -0.852 -11.159 -7.300 1078 HA VAL 29 HA VAL 29 0.399 -13.262 -5.922 1079 HB VAL 29 HB VAL 29 1.567 -10.567 -6.627 1080 1HG1 VAL 29 1HG1 VAL 29 2.890 -11.848 -4.972 1081 2HG1 VAL 29 2HG1 VAL 29 3.726 -11.655 -6.514 1082 3HG1 VAL 29 3HG1 VAL 29 2.965 -13.193 -6.112 1083 1HG2 VAL 29 1HG2 VAL 29 1.942 -11.288 -8.746 1084 2HG2 VAL 29 2HG2 VAL 29 0.499 -12.245 -8.408 1085 3HG2 VAL 29 3HG2 VAL 29 2.096 -12.978 -8.262 1086 H VAL 30 H VAL 30 -0.320 -9.937 -4.921 1087 HA VAL 30 HA VAL 30 1.069 -10.161 -2.448 1088 HB VAL 30 HB VAL 30 -1.073 -8.175 -3.231 1089 1HG1 VAL 30 1HG1 VAL 30 0.137 -6.780 -1.454 1090 2HG1 VAL 30 2HG1 VAL 30 0.797 -8.313 -0.883 1091 3HG1 VAL 30 3HG1 VAL 30 -0.947 -8.053 -0.893 1092 1HG2 VAL 30 1HG2 VAL 30 1.857 -7.599 -3.144 1093 2HG2 VAL 30 2HG2 VAL 30 0.582 -6.788 -4.052 1094 3HG2 VAL 30 3HG2 VAL 30 1.155 -8.376 -4.563 1095 H LYS 31 H LYS 31 -2.414 -10.446 -3.280 1096 HA LYS 31 HA LYS 31 -3.275 -10.827 -0.636 1097 1HB LYS 31 1HB LYS 31 -4.695 -10.300 -2.664 1098 2HB LYS 31 2HB LYS 31 -4.535 -11.989 -3.121 1099 1HG LYS 31 1HG LYS 31 -5.574 -12.621 -0.963 1100 2HG LYS 31 2HG LYS 31 -5.834 -10.906 -0.632 1101 1HD LYS 31 1HD LYS 31 -7.267 -10.693 -2.547 1102 2HD LYS 31 2HD LYS 31 -6.888 -12.337 -3.067 1103 1HE LYS 31 1HE LYS 31 -8.049 -13.279 -1.226 1104 2HE LYS 31 2HE LYS 31 -8.190 -11.712 -0.428 1105 1HZ LYS 31 1HZ LYS 31 -9.739 -10.986 -2.040 1106 2HZ LYS 31 2HZ LYS 31 -10.246 -12.527 -1.562 1107 3HZ LYS 31 3HZ LYS 31 -9.454 -12.320 -3.041 1108 H GLN 32 H GLN 32 -2.350 -13.105 -3.183 1109 HA GLN 32 HA GLN 32 -2.870 -15.459 -1.737 1110 1HB GLN 32 1HB GLN 32 -2.512 -15.329 -4.202 1111 2HB GLN 32 2HB GLN 32 -0.800 -15.062 -3.902 1112 1HG GLN 32 1HG GLN 32 -0.434 -17.221 -3.242 1113 2HG GLN 32 2HG GLN 32 -2.100 -17.461 -2.720 1114 1HE2 GLN 32 1HE2 GLN 32 -3.658 -17.044 -4.722 1115 2HE2 GLN 32 2HE2 GLN 32 -3.256 -17.989 -6.113 1116 H PHE 33 H PHE 33 0.151 -13.575 -2.129 1117 HA PHE 33 HA PHE 33 1.713 -15.313 -0.548 1118 1HB PHE 33 1HB PHE 33 2.975 -14.037 -1.994 1119 2HB PHE 33 2HB PHE 33 2.029 -12.586 -1.713 1120 HD1 PHE 33 HD1 PHE 33 4.143 -14.843 0.416 1121 HD2 PHE 33 HD2 PHE 33 3.221 -10.890 -0.861 1122 HE1 PHE 33 HE1 PHE 33 5.898 -13.954 1.902 1123 HE2 PHE 33 HE2 PHE 33 4.962 -9.994 0.627 1124 HZ PHE 33 HZ PHE 33 6.300 -11.521 2.014 1125 H PHE 34 H PHE 34 0.030 -12.274 0.231 1126 HA PHE 34 HA PHE 34 0.940 -12.337 2.935 1127 1HB PHE 34 1HB PHE 34 -0.906 -10.567 1.401 1128 2HB PHE 34 2HB PHE 34 -0.905 -10.497 3.165 1129 HD1 PHE 34 HD1 PHE 34 1.228 -10.138 0.165 1130 HD2 PHE 34 HD2 PHE 34 0.844 -9.456 4.348 1131 HE1 PHE 34 HE1 PHE 34 3.278 -8.781 0.129 1132 HE2 PHE 34 HE2 PHE 34 2.892 -8.093 4.318 1133 HZ PHE 34 HZ PHE 34 4.119 -7.765 2.208 1134 H ASN 35 H ASN 35 -2.002 -13.441 1.332 1135 HA ASN 35 HA ASN 35 -3.615 -13.787 3.581 1136 1HB ASN 35 1HB ASN 35 -3.460 -15.182 0.934 1137 2HB ASN 35 2HB ASN 35 -4.514 -15.826 2.187 1138 1HD2 ASN 35 1HD2 ASN 35 -3.915 -12.380 1.830 1139 2HD2 ASN 35 2HD2 ASN 35 -5.500 -11.985 1.266 1140 H ASP 36 H ASP 36 -0.928 -15.664 2.424 1141 HA ASP 36 HA ASP 36 -1.298 -18.012 3.912 1142 1HB ASP 36 1HB ASP 36 1.270 -16.736 2.962 1143 2HB ASP 36 2HB ASP 36 1.110 -18.394 3.535 1144 H ASN 37 H ASN 37 -0.436 -14.875 4.956 1145 HA ASN 37 HA ASN 37 0.701 -15.946 7.452 1146 1HB ASN 37 1HB ASN 37 1.681 -13.782 7.862 1147 2HB ASN 37 2HB ASN 37 2.095 -14.297 6.232 1148 1HD2 ASN 37 1HD2 ASN 37 2.073 -12.691 4.866 1149 2HD2 ASN 37 2HD2 ASN 37 0.970 -11.361 4.861 1150 H GLY 38 H GLY 38 -2.069 -14.322 6.176 1151 1HA GLY 38 1HA GLY 38 -3.985 -14.642 7.812 1152 2HA GLY 38 2HA GLY 38 -2.974 -13.748 8.932 1153 H VAL 39 H VAL 39 -2.790 -12.611 5.696 1154 HA VAL 39 HA VAL 39 -4.253 -10.219 6.478 1155 HB VAL 39 HB VAL 39 -2.793 -10.742 3.885 1156 1HG1 VAL 39 1HG1 VAL 39 -4.317 -8.929 3.634 1157 2HG1 VAL 39 2HG1 VAL 39 -2.708 -8.234 3.831 1158 3HG1 VAL 39 3HG1 VAL 39 -3.839 -8.234 5.184 1159 1HG2 VAL 39 1HG2 VAL 39 -1.196 -9.040 5.251 1160 2HG2 VAL 39 2HG2 VAL 39 -0.975 -10.789 5.217 1161 3HG2 VAL 39 3HG2 VAL 39 -1.818 -10.032 6.570 1162 H ASP 40 H ASP 40 -6.099 -9.451 5.464 1163 HA ASP 40 HA ASP 40 -7.242 -10.882 3.229 1164 1HB ASP 40 1HB ASP 40 -8.463 -10.997 5.983 1165 2HB ASP 40 2HB ASP 40 -9.410 -11.262 4.523 1166 H GLY 41 H GLY 41 -9.633 -9.979 2.938 1167 1HA GLY 41 1HA GLY 41 -10.991 -7.948 3.374 1168 2HA GLY 41 2HA GLY 41 -9.481 -7.052 3.338 1169 H GLU 42 H GLU 42 -9.998 -5.702 1.649 1170 HA GLU 42 HA GLU 42 -9.882 -6.923 -0.987 1171 1HB GLU 42 1HB GLU 42 -12.181 -5.193 -0.071 1172 2HB GLU 42 2HB GLU 42 -11.814 -5.490 -1.766 1173 1HG GLU 42 1HG GLU 42 -12.083 -7.918 -1.344 1174 2HG GLU 42 2HG GLU 42 -12.591 -7.534 0.299 1175 H TRP 43 H TRP 43 -9.378 -5.403 -2.679 1176 HA TRP 43 HA TRP 43 -7.571 -3.369 -1.798 1177 1HB TRP 43 1HB TRP 43 -8.499 -4.244 -4.530 1178 2HB TRP 43 2HB TRP 43 -7.357 -2.925 -4.290 1179 HD1 TRP 43 HD1 TRP 43 -7.592 -6.694 -4.332 1180 HE1 TRP 43 HE1 TRP 43 -5.243 -7.699 -4.017 1181 HE3 TRP 43 HE3 TRP 43 -5.047 -2.441 -3.074 1182 HZ2 TRP 43 HZ2 TRP 43 -2.655 -6.808 -3.327 1183 HZ3 TRP 43 HZ3 TRP 43 -2.637 -2.604 -2.602 1184 HH2 TRP 43 HH2 TRP 43 -1.468 -4.744 -2.725 1185 H THR 44 H THR 44 -8.071 -1.418 -1.222 1186 HA THR 44 HA THR 44 -10.497 -0.183 -2.333 1187 HB THR 44 HB THR 44 -10.538 1.219 -0.320 1188 HG1 THR 44 HG1 THR 44 -8.761 1.413 0.745 1189 1HG2 THR 44 1HG2 THR 44 -11.335 -0.323 1.203 1190 2HG2 THR 44 2HG2 THR 44 -10.179 -1.561 0.710 1191 3HG2 THR 44 3HG2 THR 44 -11.536 -1.150 -0.341 1192 H TYR 45 H TYR 45 -10.402 1.812 -3.200 1193 HA TYR 45 HA TYR 45 -7.907 2.687 -4.259 1194 1HB TYR 45 1HB TYR 45 -10.712 3.746 -4.352 1195 2HB TYR 45 2HB TYR 45 -9.377 4.735 -4.936 1196 HD1 TYR 45 HD1 TYR 45 -11.572 1.960 -5.652 1197 HD2 TYR 45 HD2 TYR 45 -7.963 3.886 -6.821 1198 HE1 TYR 45 HE1 TYR 45 -11.655 0.791 -7.815 1199 HE2 TYR 45 HE2 TYR 45 -8.035 2.724 -8.986 1200 HH TYR 45 HH TYR 45 -9.346 0.246 -9.702 1201 H ASP 46 H ASP 46 -6.681 4.484 -3.773 1202 HA ASP 46 HA ASP 46 -6.673 5.300 -1.040 1203 1HB ASP 46 1HB ASP 46 -5.068 6.052 -3.469 1204 2HB ASP 46 2HB ASP 46 -4.888 6.948 -1.965 1205 H ASP 47 H ASP 47 -6.746 7.538 -0.304 1206 HA ASP 47 HA ASP 47 -9.077 8.878 -1.182 1207 1HB ASP 47 1HB ASP 47 -8.012 8.934 1.146 1208 2HB ASP 47 2HB ASP 47 -6.900 10.133 0.488 1209 H ALA 48 H ALA 48 -9.371 10.390 -2.697 1210 HA ALA 48 HA ALA 48 -7.478 10.987 -4.629 1211 1HB ALA 48 1HB ALA 48 -9.030 12.566 -5.504 1212 2HB ALA 48 2HB ALA 48 -9.830 12.734 -3.941 1213 3HB ALA 48 3HB ALA 48 -9.957 11.221 -4.838 1214 H THR 49 H THR 49 -6.122 12.671 -5.046 1215 HA THR 49 HA THR 49 -5.843 14.779 -3.026 1216 HB THR 49 HB THR 49 -3.453 13.342 -4.179 1217 HG1 THR 49 HG1 THR 49 -4.611 11.877 -2.903 1218 1HG2 THR 49 1HG2 THR 49 -3.068 15.600 -3.261 1219 2HG2 THR 49 2HG2 THR 49 -2.222 14.328 -2.380 1220 3HG2 THR 49 3HG2 THR 49 -3.690 15.039 -1.710 1221 H LYS 50 H LYS 50 -4.697 16.679 -3.805 1222 HA LYS 50 HA LYS 50 -4.686 16.876 -6.747 1223 1HB LYS 50 1HB LYS 50 -5.818 18.747 -4.692 1224 2HB LYS 50 2HB LYS 50 -5.299 19.354 -6.259 1225 1HG LYS 50 1HG LYS 50 -6.938 18.161 -7.402 1226 2HG LYS 50 2HG LYS 50 -7.204 17.054 -6.054 1227 1HD LYS 50 1HD LYS 50 -7.938 19.215 -4.790 1228 2HD LYS 50 2HD LYS 50 -8.148 19.868 -6.416 1229 1HE LYS 50 1HE LYS 50 -9.727 18.161 -6.972 1230 2HE LYS 50 2HE LYS 50 -9.389 17.289 -5.478 1231 1HZ LYS 50 1HZ LYS 50 -10.854 19.828 -5.832 1232 2HZ LYS 50 2HZ LYS 50 -10.197 19.403 -4.333 1233 3HZ LYS 50 3HZ LYS 50 -11.362 18.413 -5.057 1234 H THR 51 H THR 51 -2.765 17.322 -7.535 1235 HA THR 51 HA THR 51 -0.797 18.708 -5.845 1236 HB THR 51 HB THR 51 -0.456 16.827 -8.192 1237 HG1 THR 51 HG1 THR 51 0.308 15.453 -6.702 1238 1HG2 THR 51 1HG2 THR 51 1.940 16.966 -7.878 1239 2HG2 THR 51 2HG2 THR 51 1.729 18.212 -6.650 1240 3HG2 THR 51 3HG2 THR 51 1.287 18.542 -8.326 1241 H PHE 52 H PHE 52 -0.019 20.655 -6.438 1242 HA PHE 52 HA PHE 52 -1.222 21.990 -8.692 1243 1HB PHE 52 1HB PHE 52 -0.865 23.134 -6.515 1244 2HB PHE 52 2HB PHE 52 0.873 23.009 -6.763 1245 HD1 PHE 52 HD1 PHE 52 -2.225 24.573 -7.993 1246 HD2 PHE 52 HD2 PHE 52 2.025 24.502 -8.201 1247 HE1 PHE 52 HE1 PHE 52 -2.254 26.699 -9.232 1248 HE2 PHE 52 HE2 PHE 52 2.003 26.628 -9.439 1249 HZ PHE 52 HZ PHE 52 -0.138 27.729 -9.956 1250 H THR 53 H THR 53 -0.430 21.894 -10.686 1251 HA THR 53 HA THR 53 2.361 21.152 -11.098 1252 HB THR 53 HB THR 53 0.111 21.519 -13.088 1253 HG1 THR 53 HG1 THR 53 -0.076 19.722 -11.620 1254 1HG2 THR 53 1HG2 THR 53 2.950 20.685 -13.431 1255 2HG2 THR 53 2HG2 THR 53 1.954 21.733 -14.440 1256 3HG2 THR 53 3HG2 THR 53 1.696 19.988 -14.455 1257 H VAL 54 H VAL 54 3.896 22.606 -11.500 1258 HA VAL 54 HA VAL 54 3.287 25.385 -11.673 1259 HB VAL 54 HB VAL 54 5.963 24.165 -12.317 1260 1HG1 VAL 54 1HG1 VAL 54 4.961 26.859 -11.540 1261 2HG1 VAL 54 2HG1 VAL 54 6.151 26.405 -12.761 1262 3HG1 VAL 54 3HG1 VAL 54 6.587 26.377 -11.052 1263 1HG2 VAL 54 1HG2 VAL 54 6.426 24.574 -9.838 1264 2HG2 VAL 54 2HG2 VAL 54 5.468 23.154 -10.257 1265 3HG2 VAL 54 3HG2 VAL 54 4.673 24.603 -9.639 1266 H THR 55 H THR 55 3.924 26.824 -13.384 1267 HA THR 55 HA THR 55 4.344 25.689 -16.021 1268 HB THR 55 HB THR 55 1.923 27.392 -15.415 1269 HG1 THR 55 HG1 THR 55 2.172 24.662 -16.130 1270 1HG2 THR 55 1HG2 THR 55 2.702 27.906 -17.622 1271 2HG2 THR 55 2HG2 THR 55 1.268 26.885 -17.739 1272 3HG2 THR 55 3HG2 THR 55 2.868 26.192 -18.005 1273 H GLU 56 H GLU 56 3.177 28.789 -14.756 1274 HA GLU 56 HA GLU 56 3.972 30.913 -14.931 1275 1HB GLU 56 1HB GLU 56 6.684 29.604 -15.185 1276 2HB GLU 56 2HB GLU 56 6.352 31.255 -14.679 1277 1HG GLU 56 1HG GLU 56 5.290 30.466 -12.661 1278 2HG GLU 56 2HG GLU 56 5.487 28.794 -13.181 1279 1H MET 1 1H MET 1 1.085 1.021 -11.952 1280 2H MET 1 2H MET 1 1.130 2.703 -12.289 1281 3H MET 1 3H MET 1 -0.107 1.722 -12.964 1282 HA MET 1 HA MET 1 -0.762 3.118 -11.056 1283 1HB MET 1 1HB MET 1 -1.057 0.139 -11.240 1284 2HB MET 1 2HB MET 1 -1.827 1.009 -9.919 1285 1HG MET 1 1HG MET 1 -2.275 2.082 -12.629 1286 2HG MET 1 2HG MET 1 -3.013 0.523 -12.267 1287 1HE MET 1 1HE MET 1 -2.269 2.979 -9.449 1288 2HE MET 1 2HE MET 1 -3.710 3.988 -9.332 1289 3HE MET 1 3HE MET 1 -2.593 4.198 -10.682 1290 H GLN 2 H GLN 2 -0.446 3.692 -8.974 1291 HA GLN 2 HA GLN 2 1.937 2.677 -7.659 1292 1HB GLN 2 1HB GLN 2 1.388 5.131 -7.815 1293 2HB GLN 2 2HB GLN 2 0.057 4.840 -6.705 1294 1HG GLN 2 1HG GLN 2 1.450 4.452 -4.918 1295 2HG GLN 2 2HG GLN 2 2.813 4.004 -5.942 1296 1HE2 GLN 2 1HE2 GLN 2 3.982 5.661 -7.002 1297 2HE2 GLN 2 2HE2 GLN 2 3.972 7.280 -6.400 1298 H TYR 3 H TYR 3 1.904 1.136 -6.165 1299 HA TYR 3 HA TYR 3 -0.663 0.501 -4.884 1300 1HB TYR 3 1HB TYR 3 1.680 -1.186 -5.678 1301 2HB TYR 3 2HB TYR 3 0.605 -1.725 -4.391 1302 HD1 TYR 3 HD1 TYR 3 1.135 -1.617 -7.905 1303 HD2 TYR 3 HD2 TYR 3 -1.916 -1.810 -4.947 1304 HE1 TYR 3 HE1 TYR 3 -0.431 -2.496 -9.585 1305 HE2 TYR 3 HE2 TYR 3 -3.490 -2.690 -6.617 1306 HH TYR 3 HH TYR 3 -3.254 -3.999 -8.859 1307 H LYS 4 H LYS 4 -0.919 0.686 -2.815 1308 HA LYS 4 HA LYS 4 1.410 1.322 -1.126 1309 1HB LYS 4 1HB LYS 4 -0.763 2.833 -1.435 1310 2HB LYS 4 2HB LYS 4 -1.376 1.779 -0.168 1311 1HG LYS 4 1HG LYS 4 -0.071 2.698 1.413 1312 2HG LYS 4 2HG LYS 4 1.297 2.901 0.317 1313 1HD LYS 4 1HD LYS 4 0.775 5.091 0.510 1314 2HD LYS 4 2HD LYS 4 -0.419 4.697 -0.728 1315 1HE LYS 4 1HE LYS 4 -2.015 4.192 1.176 1316 2HE LYS 4 2HE LYS 4 -0.829 4.945 2.242 1317 1HZ LYS 4 1HZ LYS 4 -1.211 7.006 1.366 1318 2HZ LYS 4 2HZ LYS 4 -2.757 6.336 1.211 1319 3HZ LYS 4 3HZ LYS 4 -1.732 6.414 -0.132 1320 H VAL 5 H VAL 5 2.050 -0.097 0.366 1321 HA VAL 5 HA VAL 5 0.108 -1.964 1.510 1322 HB VAL 5 HB VAL 5 2.764 -2.939 0.463 1323 1HG1 VAL 5 1HG1 VAL 5 2.030 -5.098 1.018 1324 2HG1 VAL 5 2HG1 VAL 5 0.360 -4.569 1.227 1325 3HG1 VAL 5 3HG1 VAL 5 1.587 -4.100 2.403 1326 1HG2 VAL 5 1HG2 VAL 5 0.045 -2.966 -0.815 1327 2HG2 VAL 5 2HG2 VAL 5 1.288 -4.144 -1.237 1328 3HG2 VAL 5 3HG2 VAL 5 1.579 -2.424 -1.498 1329 H ILE 6 H ILE 6 0.312 -2.058 3.647 1330 HA ILE 6 HA ILE 6 2.693 -0.920 4.891 1331 HB ILE 6 HB ILE 6 0.159 -1.823 6.257 1332 1HG1 ILE 6 1HG1 ILE 6 0.866 0.975 5.353 1333 2HG1 ILE 6 2HG1 ILE 6 -0.243 -0.086 4.489 1334 1HG2 ILE 6 1HG2 ILE 6 2.255 0.152 7.145 1335 2HG2 ILE 6 2HG2 ILE 6 2.195 -1.536 7.653 1336 3HG2 ILE 6 3HG2 ILE 6 0.881 -0.440 8.079 1337 1HD1 ILE 6 1HD1 ILE 6 -1.805 0.951 5.700 1338 2HD1 ILE 6 2HD1 ILE 6 -0.648 1.496 6.914 1339 3HD1 ILE 6 3HD1 ILE 6 -1.295 -0.142 6.986 1340 H LEU 7 H LEU 7 4.256 -2.138 5.739 1341 HA LEU 7 HA LEU 7 3.610 -4.834 6.697 1342 1HB LEU 7 1HB LEU 7 5.520 -4.081 4.568 1343 2HB LEU 7 2HB LEU 7 6.121 -5.225 5.753 1344 HG LEU 7 HG LEU 7 3.777 -6.405 5.178 1345 1HD1 LEU 7 1HD1 LEU 7 3.588 -4.409 3.433 1346 2HD1 LEU 7 2HD1 LEU 7 2.953 -6.020 3.101 1347 3HD1 LEU 7 3HD1 LEU 7 4.519 -5.535 2.446 1348 1HD2 LEU 7 1HD2 LEU 7 6.333 -7.081 4.909 1349 2HD2 LEU 7 2HD2 LEU 7 5.943 -6.881 3.202 1350 3HD2 LEU 7 3HD2 LEU 7 5.035 -8.030 4.185 1351 H ASN 8 H ASN 8 4.068 -4.829 8.809 1352 HA ASN 8 HA ASN 8 6.665 -3.924 9.709 1353 1HB ASN 8 1HB ASN 8 4.816 -2.009 9.774 1354 2HB ASN 8 2HB ASN 8 4.385 -2.820 11.277 1355 1HD2 ASN 8 1HD2 ASN 8 5.421 -0.175 10.973 1356 2HD2 ASN 8 2HD2 ASN 8 6.926 -0.115 11.818 1357 H GLY 9 H GLY 9 3.498 -4.659 11.127 1358 1HA GLY 9 1HA GLY 9 3.841 -7.225 11.943 1359 2HA GLY 9 2HA GLY 9 4.693 -6.300 13.171 1360 H LYS 10 H LYS 10 1.657 -7.363 12.017 1361 HA LYS 10 HA LYS 10 -0.082 -5.530 13.208 1362 1HB LYS 10 1HB LYS 10 -1.737 -7.394 13.172 1363 2HB LYS 10 2HB LYS 10 -0.920 -7.138 11.635 1364 1HG LYS 10 1HG LYS 10 0.465 -9.038 11.962 1365 2HG LYS 10 2HG LYS 10 -0.072 -9.214 13.634 1366 1HD LYS 10 1HD LYS 10 -2.259 -9.862 12.947 1367 2HD LYS 10 2HD LYS 10 -1.928 -9.423 11.270 1368 1HE LYS 10 1HE LYS 10 -1.689 -11.716 11.210 1369 2HE LYS 10 2HE LYS 10 -0.026 -11.188 11.469 1370 1HZ LYS 10 1HZ LYS 10 -0.264 -12.830 13.036 1371 2HZ LYS 10 2HZ LYS 10 -1.884 -12.462 13.359 1372 3HZ LYS 10 3HZ LYS 10 -0.657 -11.463 13.952 1373 H THR 11 H THR 11 -1.320 -5.677 15.155 1374 HA THR 11 HA THR 11 -0.183 -7.374 17.258 1375 HB THR 11 HB THR 11 -0.570 -5.182 18.724 1376 HG1 THR 11 HG1 THR 11 -0.411 -3.369 17.641 1377 1HG2 THR 11 1HG2 THR 11 1.849 -4.514 18.166 1378 2HG2 THR 11 2HG2 THR 11 1.840 -5.945 17.135 1379 3HG2 THR 11 3HG2 THR 11 1.543 -6.103 18.866 1380 H LEU 12 H LEU 12 -1.597 -7.944 18.897 1381 HA LEU 12 HA LEU 12 -4.300 -6.867 18.880 1382 1HB LEU 12 1HB LEU 12 -4.010 -8.917 17.280 1383 2HB LEU 12 2HB LEU 12 -4.007 -9.842 18.769 1384 HG LEU 12 HG LEU 12 -6.233 -7.912 18.283 1385 1HD1 LEU 12 1HD1 LEU 12 -5.900 -10.592 16.960 1386 2HD1 LEU 12 2HD1 LEU 12 -6.241 -9.036 16.204 1387 3HD1 LEU 12 3HD1 LEU 12 -7.470 -9.823 17.194 1388 1HD2 LEU 12 1HD2 LEU 12 -5.725 -10.364 19.890 1389 2HD2 LEU 12 2HD2 LEU 12 -7.378 -10.011 19.385 1390 3HD2 LEU 12 3HD2 LEU 12 -6.484 -8.843 20.358 1391 H LYS 13 H LYS 13 -5.326 -7.022 20.843 1392 HA LYS 13 HA LYS 13 -3.709 -7.449 23.125 1393 1HB LYS 13 1HB LYS 13 -5.920 -7.219 24.364 1394 2HB LYS 13 2HB LYS 13 -5.441 -5.862 23.355 1395 1HG LYS 13 1HG LYS 13 -7.110 -6.215 21.840 1396 2HG LYS 13 2HG LYS 13 -7.191 -7.948 22.167 1397 1HD LYS 13 1HD LYS 13 -9.177 -7.020 23.056 1398 2HD LYS 13 2HD LYS 13 -8.128 -7.342 24.439 1399 1HE LYS 13 1HE LYS 13 -8.706 -5.226 24.990 1400 2HE LYS 13 2HE LYS 13 -7.382 -4.826 23.897 1401 1HZ LYS 13 1HZ LYS 13 -9.324 -4.925 22.146 1402 2HZ LYS 13 2HZ LYS 13 -9.011 -3.521 23.037 1403 3HZ LYS 13 3HZ LYS 13 -10.266 -4.554 23.502 1404 H GLY 14 H GLY 14 -2.922 -9.560 23.048 1405 1HA GLY 14 1HA GLY 14 -4.342 -11.495 24.464 1406 2HA GLY 14 2HA GLY 14 -4.546 -11.859 22.757 1407 H GLU 15 H GLU 15 -3.211 -13.415 22.137 1408 HA GLU 15 HA GLU 15 -0.835 -14.069 23.570 1409 1HB GLU 15 1HB GLU 15 -0.481 -15.728 21.763 1410 2HB GLU 15 2HB GLU 15 -2.089 -15.818 22.467 1411 1HG GLU 15 1HG GLU 15 -2.027 -14.031 20.198 1412 2HG GLU 15 2HG GLU 15 -1.443 -15.641 19.775 1413 H THR 16 H THR 16 1.301 -14.321 22.428 1414 HA THR 16 HA THR 16 1.999 -11.773 21.241 1415 HB THR 16 HB THR 16 3.442 -12.685 22.975 1416 HG1 THR 16 HG1 THR 16 5.183 -12.038 21.982 1417 1HG2 THR 16 1HG2 THR 16 3.338 -14.990 22.906 1418 2HG2 THR 16 2HG2 THR 16 4.943 -14.649 22.258 1419 3HG2 THR 16 3HG2 THR 16 3.618 -15.053 21.166 1420 H THR 17 H THR 17 2.755 -11.427 19.195 1421 HA THR 17 HA THR 17 1.969 -13.304 17.187 1422 HB THR 17 HB THR 17 2.990 -11.612 15.620 1423 HG1 THR 17 HG1 THR 17 4.529 -10.810 17.162 1424 1HG2 THR 17 1HG2 THR 17 1.317 -9.969 17.397 1425 2HG2 THR 17 2HG2 THR 17 0.606 -11.480 16.831 1426 3HG2 THR 17 3HG2 THR 17 1.179 -10.284 15.668 1427 H THR 18 H THR 18 3.613 -13.649 15.294 1428 HA THR 18 HA THR 18 6.241 -14.384 16.382 1429 HB THR 18 HB THR 18 4.993 -16.431 16.403 1430 HG1 THR 18 HG1 THR 18 6.255 -17.642 15.041 1431 1HG2 THR 18 1HG2 THR 18 3.162 -15.935 14.938 1432 2HG2 THR 18 2HG2 THR 18 3.994 -17.381 14.361 1433 3HG2 THR 18 3HG2 THR 18 4.249 -15.834 13.552 1434 H GLU 19 H GLU 19 5.489 -12.120 14.808 1435 HA GLU 19 HA GLU 19 6.234 -10.914 13.034 1436 1HB GLU 19 1HB GLU 19 8.229 -13.112 13.220 1437 2HB GLU 19 2HB GLU 19 8.224 -12.147 11.750 1438 1HG GLU 19 1HG GLU 19 8.779 -10.192 12.884 1439 2HG GLU 19 2HG GLU 19 8.293 -10.850 14.445 1440 H ALA 20 H ALA 20 5.281 -10.606 11.138 1441 HA ALA 20 HA ALA 20 4.848 -12.876 9.346 1442 1HB ALA 20 1HB ALA 20 2.824 -12.105 10.951 1443 2HB ALA 20 2HB ALA 20 2.596 -12.805 9.349 1444 3HB ALA 20 3HB ALA 20 2.548 -11.054 9.562 1445 H VAL 21 H VAL 21 3.961 -9.450 9.596 1446 HA VAL 21 HA VAL 21 4.830 -9.063 6.825 1447 HB VAL 21 HB VAL 21 3.752 -6.768 7.142 1448 1HG1 VAL 21 1HG1 VAL 21 1.856 -7.581 6.225 1449 2HG1 VAL 21 2HG1 VAL 21 1.613 -8.766 7.509 1450 3HG1 VAL 21 3HG1 VAL 21 2.769 -9.091 6.216 1451 1HG2 VAL 21 1HG2 VAL 21 2.379 -6.330 8.955 1452 2HG2 VAL 21 2HG2 VAL 21 3.754 -7.134 9.711 1453 3HG2 VAL 21 3HG2 VAL 21 2.264 -8.029 9.411 1454 H ASP 22 H ASP 22 7.075 -9.081 7.230 1455 HA ASP 22 HA ASP 22 8.145 -6.876 8.846 1456 1HB ASP 22 1HB ASP 22 8.972 -9.181 9.279 1457 2HB ASP 22 2HB ASP 22 9.586 -9.241 7.629 1458 H ALA 23 H ALA 23 9.512 -5.375 8.054 1459 HA ALA 23 HA ALA 23 9.149 -4.354 5.531 1460 1HB ALA 23 1HB ALA 23 11.796 -3.763 6.540 1461 2HB ALA 23 2HB ALA 23 10.570 -3.693 7.810 1462 3HB ALA 23 3HB ALA 23 10.392 -2.707 6.358 1463 H ALA 24 H ALA 24 11.703 -6.545 6.640 1464 HA ALA 24 HA ALA 24 13.145 -6.616 4.201 1465 1HB ALA 24 1HB ALA 24 14.145 -8.710 5.181 1466 2HB ALA 24 2HB ALA 24 13.071 -8.481 6.562 1467 3HB ALA 24 3HB ALA 24 14.284 -7.262 6.178 1468 H THR 25 H THR 25 10.363 -8.348 5.404 1469 HA THR 25 HA THR 25 10.403 -10.554 3.660 1470 HB THR 25 HB THR 25 8.072 -9.124 4.959 1471 HG1 THR 25 HG1 THR 25 8.303 -10.610 6.553 1472 1HG2 THR 25 1HG2 THR 25 8.122 -11.513 3.251 1473 2HG2 THR 25 2HG2 THR 25 6.810 -10.386 3.607 1474 3HG2 THR 25 3HG2 THR 25 7.225 -11.653 4.763 1475 H PHE 26 H PHE 26 9.113 -7.304 3.329 1476 HA PHE 26 HA PHE 26 7.803 -7.736 0.843 1477 1HB PHE 26 1HB PHE 26 7.477 -5.794 2.517 1478 2HB PHE 26 2HB PHE 26 8.872 -5.066 1.727 1479 HD1 PHE 26 HD1 PHE 26 5.552 -6.554 0.942 1480 HD2 PHE 26 HD2 PHE 26 8.552 -3.732 -0.129 1481 HE1 PHE 26 HE1 PHE 26 4.082 -5.669 -0.820 1482 HE2 PHE 26 HE2 PHE 26 7.086 -2.839 -1.893 1483 HZ PHE 26 HZ PHE 26 4.848 -3.808 -2.240 1484 H GLU 27 H GLU 27 10.926 -6.271 1.690 1485 HA GLU 27 HA GLU 27 11.814 -5.610 -0.838 1486 1HB GLU 27 1HB GLU 27 13.390 -6.540 1.560 1487 2HB GLU 27 2HB GLU 27 14.118 -5.843 0.119 1488 1HG GLU 27 1HG GLU 27 12.872 -3.775 0.489 1489 2HG GLU 27 2HG GLU 27 12.150 -4.474 1.939 1490 H LYS 28 H LYS 28 12.545 -8.643 0.906 1491 HA LYS 28 HA LYS 28 13.953 -9.811 -1.228 1492 1HB LYS 28 1HB LYS 28 14.124 -10.513 1.145 1493 2HB LYS 28 2HB LYS 28 12.518 -11.219 1.025 1494 1HG LYS 28 1HG LYS 28 13.235 -12.922 -0.386 1495 2HG LYS 28 2HG LYS 28 14.704 -12.056 -0.840 1496 1HD LYS 28 1HD LYS 28 14.233 -12.923 1.992 1497 2HD LYS 28 2HD LYS 28 14.894 -14.041 0.798 1498 1HE LYS 28 1HE LYS 28 16.107 -11.331 1.148 1499 2HE LYS 28 2HE LYS 28 16.501 -12.626 2.279 1500 1HZ LYS 28 1HZ LYS 28 18.126 -12.697 0.604 1501 2HZ LYS 28 2HZ LYS 28 16.992 -12.550 -0.640 1502 3HZ LYS 28 3HZ LYS 28 17.081 -13.981 0.256 1503 H VAL 29 H VAL 29 10.576 -10.369 -0.156 1504 HA VAL 29 HA VAL 29 9.980 -12.268 -2.137 1505 HB VAL 29 HB VAL 29 8.063 -10.394 -0.744 1506 1HG1 VAL 29 1HG1 VAL 29 7.130 -11.491 -2.757 1507 2HG1 VAL 29 2HG1 VAL 29 6.348 -12.020 -1.266 1508 3HG1 VAL 29 3HG1 VAL 29 7.532 -13.061 -2.056 1509 1HG2 VAL 29 1HG2 VAL 29 8.028 -11.776 1.057 1510 2HG2 VAL 29 2HG2 VAL 29 9.682 -12.088 0.531 1511 3HG2 VAL 29 3HG2 VAL 29 8.392 -13.213 0.102 1512 H VAL 30 H VAL 30 9.581 -8.745 -2.108 1513 HA VAL 30 HA VAL 30 8.213 -8.671 -4.602 1514 HB VAL 30 HB VAL 30 9.667 -6.430 -3.184 1515 1HG1 VAL 30 1HG1 VAL 30 8.000 -5.033 -4.540 1516 2HG1 VAL 30 2HG1 VAL 30 7.824 -6.463 -5.557 1517 3HG1 VAL 30 3HG1 VAL 30 9.400 -5.688 -5.392 1518 1HG2 VAL 30 1HG2 VAL 30 6.701 -6.795 -3.238 1519 2HG2 VAL 30 2HG2 VAL 30 7.701 -5.925 -2.077 1520 3HG2 VAL 30 3HG2 VAL 30 7.676 -7.688 -2.072 1521 H LYS 31 H LYS 31 11.647 -8.085 -3.724 1522 HA LYS 31 HA LYS 31 12.459 -7.401 -6.324 1523 1HB LYS 31 1HB LYS 31 13.738 -7.063 -4.165 1524 2HB LYS 31 2HB LYS 31 14.134 -8.774 -4.219 1525 1HG LYS 31 1HG LYS 31 15.216 -8.405 -6.417 1526 2HG LYS 31 2HG LYS 31 14.912 -6.676 -6.230 1527 1HD LYS 31 1HD LYS 31 16.295 -6.584 -4.269 1528 2HD LYS 31 2HD LYS 31 16.474 -8.340 -4.259 1529 1HE LYS 31 1HE LYS 31 17.783 -8.304 -6.237 1530 2HE LYS 31 2HE LYS 31 17.391 -6.613 -6.544 1531 1HZ LYS 31 1HZ LYS 31 18.709 -5.934 -4.719 1532 2HZ LYS 31 2HZ LYS 31 19.649 -7.032 -5.598 1533 3HZ LYS 31 3HZ LYS 31 18.903 -7.521 -4.160 1534 H GLN 32 H GLN 32 12.410 -10.484 -4.583 1535 HA GLN 32 HA GLN 32 13.571 -12.039 -6.618 1536 1HB GLN 32 1HB GLN 32 13.305 -12.740 -4.238 1537 2HB GLN 32 2HB GLN 32 11.584 -12.947 -4.529 1538 1HG GLN 32 1HG GLN 32 11.879 -14.827 -5.798 1539 2HG GLN 32 2HG GLN 32 13.512 -14.375 -6.286 1540 1HE2 GLN 32 1HE2 GLN 32 14.952 -14.085 -4.175 1541 2HE2 GLN 32 2HE2 GLN 32 14.930 -15.465 -3.135 1542 H PHE 33 H PHE 33 10.137 -11.385 -5.846 1543 HA PHE 33 HA PHE 33 9.121 -12.993 -7.929 1544 1HB PHE 33 1HB PHE 33 7.592 -12.645 -6.238 1545 2HB PHE 33 2HB PHE 33 8.025 -10.956 -6.047 1546 HD1 PHE 33 HD1 PHE 33 6.622 -13.047 -8.831 1547 HD2 PHE 33 HD2 PHE 33 6.324 -9.546 -6.432 1548 HE1 PHE 33 HE1 PHE 33 4.610 -12.361 -10.081 1549 HE2 PHE 33 HE2 PHE 33 4.324 -8.849 -7.679 1550 HZ PHE 33 HZ PHE 33 3.466 -10.250 -9.509 1551 H PHE 34 H PHE 34 9.735 -9.494 -7.723 1552 HA PHE 34 HA PHE 34 8.764 -9.057 -10.372 1553 1HB PHE 34 1HB PHE 34 10.035 -7.321 -8.308 1554 2HB PHE 34 2HB PHE 34 9.931 -6.749 -9.975 1555 HD1 PHE 34 HD1 PHE 34 7.934 -7.950 -7.103 1556 HD2 PHE 34 HD2 PHE 34 7.890 -6.013 -10.893 1557 HE1 PHE 34 HE1 PHE 34 5.566 -7.369 -6.777 1558 HE2 PHE 34 HE2 PHE 34 5.524 -5.425 -10.570 1559 HZ PHE 34 HZ PHE 34 4.355 -6.114 -8.515 1560 H ASN 35 H ASN 35 11.974 -9.604 -9.017 1561 HA ASN 35 HA ASN 35 13.508 -8.767 -11.191 1562 1HB ASN 35 1HB ASN 35 13.921 -10.838 -9.067 1563 2HB ASN 35 2HB ASN 35 15.063 -10.735 -10.401 1564 1HD2 ASN 35 1HD2 ASN 35 13.437 -7.902 -9.098 1565 2HD2 ASN 35 2HD2 ASN 35 14.842 -7.212 -8.372 1566 H ASP 36 H ASP 36 11.596 -11.636 -10.751 1567 HA ASP 36 HA ASP 36 12.610 -13.221 -12.831 1568 1HB ASP 36 1HB ASP 36 9.819 -13.138 -11.678 1569 2HB ASP 36 2HB ASP 36 10.462 -14.426 -12.692 1570 H ASN 37 H ASN 37 10.766 -10.348 -12.969 1571 HA ASN 37 HA ASN 37 9.902 -10.954 -15.718 1572 1HB ASN 37 1HB ASN 37 8.279 -9.180 -15.535 1573 2HB ASN 37 2HB ASN 37 8.122 -10.245 -14.144 1574 1HD2 ASN 37 1HD2 ASN 37 7.709 -9.178 -12.373 1575 2HD2 ASN 37 2HD2 ASN 37 8.341 -7.631 -11.934 1576 H GLY 38 H GLY 38 12.088 -8.989 -13.902 1577 1HA GLY 38 1HA GLY 38 13.928 -8.211 -15.465 1578 2HA GLY 38 2HA GLY 38 12.639 -7.396 -16.329 1579 H VAL 39 H VAL 39 12.262 -7.352 -12.914 1580 HA VAL 39 HA VAL 39 12.867 -4.504 -12.909 1581 HB VAL 39 HB VAL 39 11.766 -6.178 -10.646 1582 1HG1 VAL 39 1HG1 VAL 39 12.659 -4.132 -9.813 1583 2HG1 VAL 39 2HG1 VAL 39 10.906 -3.947 -9.878 1584 3HG1 VAL 39 3HG1 VAL 39 11.917 -3.207 -11.118 1585 1HG2 VAL 39 1HG2 VAL 39 9.655 -4.743 -11.537 1586 2HG2 VAL 39 2HG2 VAL 39 9.994 -6.405 -12.019 1587 3HG2 VAL 39 3HG2 VAL 39 10.493 -5.068 -13.054 1588 H ASP 40 H ASP 40 14.427 -3.524 -11.630 1589 HA ASP 40 HA ASP 40 16.061 -5.106 -9.849 1590 1HB ASP 40 1HB ASP 40 17.129 -4.040 -12.460 1591 2HB ASP 40 2HB ASP 40 18.178 -4.405 -11.093 1592 H GLY 41 H GLY 41 18.062 -3.628 -9.195 1593 1HA GLY 41 1HA GLY 41 18.700 -1.240 -8.967 1594 2HA GLY 41 2HA GLY 41 16.987 -0.908 -8.749 1595 H GLU 42 H GLU 42 17.142 -0.007 -6.721 1596 HA GLU 42 HA GLU 42 17.531 -1.905 -4.553 1597 1HB GLU 42 1HB GLU 42 19.131 0.639 -4.824 1598 2HB GLU 42 2HB GLU 42 18.955 -0.230 -3.306 1599 1HG GLU 42 1HG GLU 42 19.947 -2.225 -4.396 1600 2HG GLU 42 2HG GLU 42 20.232 -1.246 -5.833 1601 H TRP 43 H TRP 43 16.656 -1.173 -2.524 1602 HA TRP 43 HA TRP 43 14.268 0.362 -2.868 1603 1HB TRP 43 1HB TRP 43 15.548 -0.927 -0.462 1604 2HB TRP 43 2HB TRP 43 14.042 -0.020 -0.367 1605 HD1 TRP 43 HD1 TRP 43 15.442 -3.372 -1.398 1606 HE1 TRP 43 HE1 TRP 43 13.511 -4.925 -2.098 1607 HE3 TRP 43 HE3 TRP 43 11.642 0.048 -1.501 1608 HZ2 TRP 43 HZ2 TRP 43 10.747 -4.726 -2.625 1609 HZ3 TRP 43 HZ3 TRP 43 9.385 -0.716 -2.114 1610 HH2 TRP 43 HH2 TRP 43 8.948 -3.054 -2.664 1611 H THR 44 H THR 44 14.109 2.449 -2.836 1612 HA THR 44 HA THR 44 16.079 4.006 -1.304 1613 HB THR 44 HB THR 44 15.587 5.865 -2.826 1614 HG1 THR 44 HG1 THR 44 13.790 5.797 -3.870 1615 1HG2 THR 44 1HG2 THR 44 16.743 5.151 -4.693 1616 2HG2 THR 44 2HG2 THR 44 16.060 3.527 -4.622 1617 3HG2 THR 44 3HG2 THR 44 17.272 4.027 -3.442 1618 H TYR 45 H TYR 45 15.406 5.535 0.093 1619 HA TYR 45 HA TYR 45 12.815 5.245 1.240 1620 1HB TYR 45 1HB TYR 45 15.151 7.052 1.766 1621 2HB TYR 45 2HB TYR 45 13.605 7.364 2.546 1622 HD1 TYR 45 HD1 TYR 45 16.585 5.325 2.534 1623 HD2 TYR 45 HD2 TYR 45 12.616 5.615 4.040 1624 HE1 TYR 45 HE1 TYR 45 17.127 3.671 4.272 1625 HE2 TYR 45 HE2 TYR 45 13.147 3.962 5.781 1626 HH TYR 45 HH TYR 45 15.197 1.918 5.813 1627 H ASP 46 H ASP 46 11.071 6.631 1.235 1628 HA ASP 46 HA ASP 46 10.680 8.153 -1.146 1629 1HB ASP 46 1HB ASP 46 9.036 7.637 1.318 1630 2HB ASP 46 2HB ASP 46 8.514 8.822 0.126 1631 H ASP 47 H ASP 47 10.015 10.413 -1.205 1632 HA ASP 47 HA ASP 47 11.852 12.103 0.129 1633 1HB ASP 47 1HB ASP 47 10.713 12.488 -2.133 1634 2HB ASP 47 2HB ASP 47 9.317 13.038 -1.213 1635 H ALA 48 H ALA 48 11.729 13.123 2.027 1636 HA ALA 48 HA ALA 48 9.837 12.521 3.957 1637 1HB ALA 48 1HB ALA 48 10.861 14.183 5.321 1638 2HB ALA 48 2HB ALA 48 11.491 15.035 3.912 1639 3HB ALA 48 3HB ALA 48 12.128 13.448 4.339 1640 H THR 49 H THR 49 8.044 13.502 4.775 1641 HA THR 49 HA THR 49 7.029 15.905 3.435 1642 HB THR 49 HB THR 49 5.262 13.531 4.014 1643 HG1 THR 49 HG1 THR 49 6.760 12.930 2.427 1644 1HG2 THR 49 1HG2 THR 49 4.146 15.716 3.765 1645 2HG2 THR 49 2HG2 THR 49 3.706 14.559 2.509 1646 3HG2 THR 49 3HG2 THR 49 4.848 15.855 2.152 1647 H LYS 50 H LYS 50 5.386 17.047 4.671 1648 HA LYS 50 HA LYS 50 5.452 16.379 7.542 1649 1HB LYS 50 1HB LYS 50 5.847 19.016 6.165 1650 2HB LYS 50 2HB LYS 50 5.241 18.955 7.814 1651 1HG LYS 50 1HG LYS 50 7.220 18.057 8.641 1652 2HG LYS 50 2HG LYS 50 7.755 17.523 7.045 1653 1HD LYS 50 1HD LYS 50 7.720 20.072 6.490 1654 2HD LYS 50 2HD LYS 50 7.792 20.263 8.243 1655 1HE LYS 50 1HE LYS 50 9.846 19.048 8.360 1656 2HE LYS 50 2HE LYS 50 9.729 18.582 6.663 1657 1HZ LYS 50 1HZ LYS 50 10.344 21.237 7.802 1658 2HZ LYS 50 2HZ LYS 50 9.785 21.077 6.215 1659 3HZ LYS 50 3HZ LYS 50 11.232 20.335 6.678 1660 H THR 51 H THR 51 3.526 15.959 8.333 1661 HA THR 51 HA THR 51 1.150 17.088 7.020 1662 HB THR 51 HB THR 51 1.520 14.604 8.708 1663 HG1 THR 51 HG1 THR 51 1.156 13.550 6.853 1664 1HG2 THR 51 1HG2 THR 51 -0.812 14.073 8.337 1665 2HG2 THR 51 2HG2 THR 51 -1.058 15.622 7.530 1666 3HG2 THR 51 3HG2 THR 51 -0.662 15.575 9.248 1667 H PHE 52 H PHE 52 -0.170 18.437 8.110 1668 HA PHE 52 HA PHE 52 0.661 19.375 10.705 1669 1HB PHE 52 1HB PHE 52 -0.137 20.924 8.935 1670 2HB PHE 52 2HB PHE 52 -1.736 20.200 9.054 1671 HD1 PHE 52 HD1 PHE 52 0.776 22.228 10.825 1672 HD2 PHE 52 HD2 PHE 52 -3.225 20.781 10.804 1673 HE1 PHE 52 HE1 PHE 52 0.199 23.808 12.621 1674 HE2 PHE 52 HE2 PHE 52 -3.811 22.358 12.599 1675 HZ PHE 52 HZ PHE 52 -2.097 23.875 13.510 1676 H THR 53 H THR 53 0.032 18.469 12.549 1677 HA THR 53 HA THR 53 -2.366 16.809 12.600 1678 HB THR 53 HB THR 53 -0.251 17.272 14.715 1679 HG1 THR 53 HG1 THR 53 0.414 16.122 12.801 1680 1HG2 THR 53 1HG2 THR 53 -2.671 15.534 14.671 1681 2HG2 THR 53 2HG2 THR 53 -2.003 16.503 15.984 1682 3HG2 THR 53 3HG2 THR 53 -1.214 14.999 15.510 1683 H VAL 54 H VAL 54 -4.257 17.531 13.329 1684 HA VAL 54 HA VAL 54 -4.538 20.190 14.321 1685 HB VAL 54 HB VAL 54 -6.666 18.064 14.461 1686 1HG1 VAL 54 1HG1 VAL 54 -6.592 21.041 14.535 1687 2HG1 VAL 54 2HG1 VAL 54 -7.523 19.909 15.517 1688 3HG1 VAL 54 3HG1 VAL 54 -8.007 20.237 13.854 1689 1HG2 VAL 54 1HG2 VAL 54 -7.348 19.007 12.184 1690 2HG2 VAL 54 2HG2 VAL 54 -5.980 17.894 12.224 1691 3HG2 VAL 54 3HG2 VAL 54 -5.700 19.629 12.085 1692 H THR 55 H THR 55 -5.514 20.801 16.342 1693 HA THR 55 HA THR 55 -5.432 18.887 18.518 1694 HB THR 55 HB THR 55 -3.695 21.360 18.540 1695 HG1 THR 55 HG1 THR 55 -3.048 18.604 18.425 1696 1HG2 THR 55 1HG2 THR 55 -4.490 20.949 20.763 1697 2HG2 THR 55 2HG2 THR 55 -2.804 20.440 20.649 1698 3HG2 THR 55 3HG2 THR 55 -4.093 19.236 20.631 1699 H GLU 56 H GLU 56 -5.353 22.422 18.251 1700 HA GLU 56 HA GLU 56 -6.760 24.047 18.992 1701 1HB GLU 56 1HB GLU 56 -8.915 21.946 18.728 1702 2HB GLU 56 2HB GLU 56 -9.137 23.690 18.734 1703 1HG GLU 56 1HG GLU 56 -7.974 23.884 16.628 1704 2HG GLU 56 2HG GLU 56 -7.617 22.159 16.637 Start of MODEL 8 1 1H MET 1 1H MET 1 9.900 21.630 -0.539 2 2H MET 1 2H MET 1 10.436 20.067 -1.004 3 3H MET 1 3H MET 1 11.352 20.994 0.113 4 HA MET 1 HA MET 1 10.053 19.203 1.111 5 1HB MET 1 1HB MET 1 10.822 21.255 2.294 6 2HB MET 1 2HB MET 1 9.289 22.021 1.904 7 1HG MET 1 1HG MET 1 9.032 21.291 4.094 8 2HG MET 1 2HG MET 1 8.196 20.074 3.129 9 1HE MET 1 1HE MET 1 9.533 16.922 4.027 10 2HE MET 1 2HE MET 1 10.092 17.501 2.459 11 3HE MET 1 3HE MET 1 8.483 17.938 3.038 12 H GLN 2 H GLN 2 8.271 18.052 0.952 13 HA GLN 2 HA GLN 2 5.960 19.136 -0.449 14 1HB GLN 2 1HB GLN 2 6.900 16.869 -0.974 15 2HB GLN 2 2HB GLN 2 6.371 16.339 0.618 16 1HG GLN 2 1HG GLN 2 4.092 16.618 0.053 17 2HG GLN 2 2HG GLN 2 4.495 17.483 -1.430 18 1HE2 GLN 2 1HE2 GLN 2 4.558 14.363 0.167 19 2HE2 GLN 2 2HE2 GLN 2 4.631 13.413 -1.274 20 H TYR 3 H TYR 3 4.220 19.910 0.546 21 HA TYR 3 HA TYR 3 3.856 19.259 3.392 22 1HB TYR 3 1HB TYR 3 3.376 21.768 1.831 23 2HB TYR 3 2HB TYR 3 2.472 21.466 3.313 24 HD1 TYR 3 HD1 TYR 3 5.757 22.221 1.895 25 HD2 TYR 3 HD2 TYR 3 3.599 21.418 5.473 26 HE1 TYR 3 HE1 TYR 3 7.654 23.054 3.220 27 HE2 TYR 3 HE2 TYR 3 5.488 22.250 6.807 28 HH TYR 3 HH TYR 3 7.417 23.711 6.559 29 H LYS 4 H LYS 4 2.085 18.395 4.080 30 HA LYS 4 HA LYS 4 -0.120 17.937 2.177 31 1HB LYS 4 1HB LYS 4 0.878 16.355 4.528 32 2HB LYS 4 2HB LYS 4 -0.750 16.114 3.908 33 1HG LYS 4 1HG LYS 4 0.406 15.792 1.626 34 2HG LYS 4 2HG LYS 4 1.873 15.563 2.579 35 1HD LYS 4 1HD LYS 4 0.612 13.811 3.884 36 2HD LYS 4 2HD LYS 4 -0.665 13.942 2.672 37 1HE LYS 4 1HE LYS 4 1.282 13.549 0.984 38 2HE LYS 4 2HE LYS 4 2.119 12.892 2.388 39 1HZ LYS 4 1HZ LYS 4 -0.429 11.944 1.205 40 2HZ LYS 4 2HZ LYS 4 0.147 11.418 2.705 41 3HZ LYS 4 3HZ LYS 4 1.037 11.107 1.302 42 H VAL 5 H VAL 5 -2.049 18.815 2.514 43 HA VAL 5 HA VAL 5 -2.833 19.642 5.211 44 HB VAL 5 HB VAL 5 -3.069 21.517 2.858 45 1HG1 VAL 5 1HG1 VAL 5 -3.441 22.043 5.801 46 2HG1 VAL 5 2HG1 VAL 5 -4.757 21.713 4.676 47 3HG1 VAL 5 3HG1 VAL 5 -3.760 23.152 4.469 48 1HG2 VAL 5 1HG2 VAL 5 -0.792 21.579 3.215 49 2HG2 VAL 5 2HG2 VAL 5 -0.946 21.237 4.939 50 3HG2 VAL 5 3HG2 VAL 5 -1.354 22.837 4.317 51 H ILE 6 H ILE 6 -4.840 18.982 5.622 52 HA ILE 6 HA ILE 6 -6.540 18.169 3.386 53 HB ILE 6 HB ILE 6 -6.984 17.658 6.327 54 1HG1 ILE 6 1HG1 ILE 6 -5.679 15.872 4.259 55 2HG1 ILE 6 2HG1 ILE 6 -4.837 16.698 5.565 56 1HG2 ILE 6 1HG2 ILE 6 -8.645 16.164 5.713 57 2HG2 ILE 6 2HG2 ILE 6 -8.044 16.014 4.062 58 3HG2 ILE 6 3HG2 ILE 6 -8.876 17.485 4.567 59 1HD1 ILE 6 1HD1 ILE 6 -7.006 14.659 5.977 60 2HD1 ILE 6 2HD1 ILE 6 -5.969 15.381 7.207 61 3HD1 ILE 6 3HD1 ILE 6 -5.280 14.301 5.995 62 H LEU 7 H LEU 7 -8.042 19.529 2.672 63 HA LEU 7 HA LEU 7 -9.275 21.410 4.580 64 1HB LEU 7 1HB LEU 7 -8.357 21.732 1.786 65 2HB LEU 7 2HB LEU 7 -9.901 22.473 2.162 66 HG LEU 7 HG LEU 7 -8.371 23.346 4.251 67 1HD1 LEU 7 1HD1 LEU 7 -6.485 22.272 2.592 68 2HD1 LEU 7 2HD1 LEU 7 -6.195 23.537 3.785 69 3HD1 LEU 7 3HD1 LEU 7 -6.494 23.965 2.102 70 1HD2 LEU 7 1HD2 LEU 7 -8.493 24.805 1.622 71 2HD2 LEU 7 2HD2 LEU 7 -8.494 25.484 3.251 72 3HD2 LEU 7 3HD2 LEU 7 -9.903 24.601 2.659 73 H ASN 8 H ASN 8 -11.356 21.052 5.031 74 HA ASN 8 HA ASN 8 -13.176 20.095 3.007 75 1HB ASN 8 1HB ASN 8 -13.957 18.166 4.372 76 2HB ASN 8 2HB ASN 8 -12.313 17.969 3.773 77 1HD2 ASN 8 1HD2 ASN 8 -13.958 17.044 6.204 78 2HD2 ASN 8 2HD2 ASN 8 -12.876 17.296 7.527 79 H GLY 9 H GLY 9 -14.689 21.626 3.231 80 1HA GLY 9 1HA GLY 9 -15.268 22.911 5.708 81 2HA GLY 9 2HA GLY 9 -16.175 23.085 4.215 82 H LYS 10 H LYS 10 -15.980 21.521 7.280 83 HA LYS 10 HA LYS 10 -17.443 20.247 8.468 84 1HB LYS 10 1HB LYS 10 -19.339 21.415 6.431 85 2HB LYS 10 2HB LYS 10 -19.876 20.405 7.767 86 1HG LYS 10 1HG LYS 10 -18.178 22.750 8.410 87 2HG LYS 10 2HG LYS 10 -19.845 23.045 7.915 88 1HD LYS 10 1HD LYS 10 -20.704 21.753 9.706 89 2HD LYS 10 2HD LYS 10 -19.113 21.086 10.078 90 1HE LYS 10 1HE LYS 10 -18.358 23.379 10.675 91 2HE LYS 10 2HE LYS 10 -20.012 23.942 10.437 92 1HZ LYS 10 1HZ LYS 10 -19.409 21.738 12.306 93 2HZ LYS 10 2HZ LYS 10 -20.763 22.751 12.266 94 3HZ LYS 10 3HZ LYS 10 -19.272 23.354 12.790 95 H THR 11 H THR 11 -19.186 18.423 8.181 96 HA THR 11 HA THR 11 -18.826 16.880 5.750 97 HB THR 11 HB THR 11 -18.005 15.745 8.429 98 HG1 THR 11 HG1 THR 11 -15.962 15.984 7.778 99 1HG2 THR 11 1HG2 THR 11 -17.335 14.429 5.865 100 2HG2 THR 11 2HG2 THR 11 -18.986 14.266 6.470 101 3HG2 THR 11 3HG2 THR 11 -17.625 13.734 7.462 102 H LEU 12 H LEU 12 -20.986 16.861 5.360 103 HA LEU 12 HA LEU 12 -22.648 15.427 7.320 104 1HB LEU 12 1HB LEU 12 -23.375 17.861 5.694 105 2HB LEU 12 2HB LEU 12 -24.568 16.846 6.484 106 HG LEU 12 HG LEU 12 -22.336 18.144 8.027 107 1HD1 LEU 12 1HD1 LEU 12 -24.886 19.322 7.033 108 2HD1 LEU 12 2HD1 LEU 12 -23.294 20.064 7.221 109 3HD1 LEU 12 3HD1 LEU 12 -24.302 19.765 8.640 110 1HD2 LEU 12 1HD2 LEU 12 -23.328 16.509 9.343 111 2HD2 LEU 12 2HD2 LEU 12 -24.935 16.812 8.683 112 3HD2 LEU 12 3HD2 LEU 12 -24.208 17.969 9.797 113 H LYS 13 H LYS 13 -24.617 14.457 6.314 114 HA LYS 13 HA LYS 13 -23.892 13.311 3.714 115 1HB LYS 13 1HB LYS 13 -24.373 11.887 5.803 116 2HB LYS 13 2HB LYS 13 -26.061 12.298 5.535 117 1HG LYS 13 1HG LYS 13 -25.701 11.399 3.162 118 2HG LYS 13 2HG LYS 13 -24.230 10.672 3.816 119 1HD LYS 13 1HD LYS 13 -25.629 9.591 5.573 120 2HD LYS 13 2HD LYS 13 -27.060 10.210 4.748 121 1HE LYS 13 1HE LYS 13 -26.377 8.983 2.718 122 2HE LYS 13 2HE LYS 13 -25.006 8.320 3.605 123 1HZ LYS 13 1HZ LYS 13 -26.661 6.688 3.698 124 2HZ LYS 13 2HZ LYS 13 -27.886 7.804 4.040 125 3HZ LYS 13 3HZ LYS 13 -26.726 7.436 5.216 126 H GLY 14 H GLY 14 -24.624 15.100 2.466 127 1HA GLY 14 1HA GLY 14 -26.974 14.922 1.183 128 2HA GLY 14 2HA GLY 14 -27.424 15.848 2.606 129 H GLU 15 H GLU 15 -26.534 17.939 2.906 130 HA GLU 15 HA GLU 15 -25.995 19.287 0.402 131 1HB GLU 15 1HB GLU 15 -26.381 20.304 3.219 132 2HB GLU 15 2HB GLU 15 -26.064 21.350 1.841 133 1HG GLU 15 1HG GLU 15 -28.133 21.005 0.921 134 2HG GLU 15 2HG GLU 15 -28.338 19.439 1.702 135 H THR 16 H THR 16 -24.043 19.774 -0.341 136 HA THR 16 HA THR 16 -21.712 19.220 1.274 137 HB THR 16 HB THR 16 -21.669 18.496 -1.022 138 HG1 THR 16 HG1 THR 16 -19.664 19.054 -1.200 139 1HG2 THR 16 1HG2 THR 16 -22.812 21.077 -1.574 140 2HG2 THR 16 2HG2 THR 16 -22.726 19.639 -2.591 141 3HG2 THR 16 3HG2 THR 16 -21.385 20.784 -2.565 142 H THR 17 H THR 17 -22.500 21.049 2.760 143 HA THR 17 HA THR 17 -22.029 23.738 1.888 144 HB THR 17 HB THR 17 -22.518 24.389 4.130 145 HG1 THR 17 HG1 THR 17 -22.170 21.677 4.878 146 1HG2 THR 17 1HG2 THR 17 -24.344 22.344 4.598 147 2HG2 THR 17 2HG2 THR 17 -24.202 22.452 2.843 148 3HG2 THR 17 3HG2 THR 17 -24.638 23.881 3.782 149 H THR 18 H THR 18 -20.505 25.105 3.411 150 HA THR 18 HA THR 18 -18.056 23.746 4.128 151 HB THR 18 HB THR 18 -17.667 24.008 1.765 152 HG1 THR 18 HG1 THR 18 -15.761 24.481 2.506 153 1HG2 THR 18 1HG2 THR 18 -17.791 26.026 0.563 154 2HG2 THR 18 2HG2 THR 18 -18.067 26.967 2.024 155 3HG2 THR 18 3HG2 THR 18 -19.315 25.877 1.431 156 H GLU 19 H GLU 19 -16.469 25.223 5.120 157 HA GLU 19 HA GLU 19 -17.490 27.834 5.901 158 1HB GLU 19 1HB GLU 19 -16.761 25.738 7.951 159 2HB GLU 19 2HB GLU 19 -17.205 27.403 8.293 160 1HG GLU 19 1HG GLU 19 -19.401 26.822 7.062 161 2HG GLU 19 2HG GLU 19 -18.922 25.150 7.347 162 H ALA 20 H ALA 20 -15.645 28.350 4.509 163 HA ALA 20 HA ALA 20 -13.616 29.384 4.365 164 1HB ALA 20 1HB ALA 20 -13.929 29.510 6.987 165 2HB ALA 20 2HB ALA 20 -12.406 29.937 6.208 166 3HB ALA 20 3HB ALA 20 -12.599 28.352 6.954 167 H VAL 21 H VAL 21 -13.223 26.298 6.068 168 HA VAL 21 HA VAL 21 -10.822 25.645 4.672 169 HB VAL 21 HB VAL 21 -12.550 23.658 6.141 170 1HG1 VAL 21 1HG1 VAL 21 -9.556 23.748 6.048 171 2HG1 VAL 21 2HG1 VAL 21 -10.481 23.031 4.728 172 3HG1 VAL 21 3HG1 VAL 21 -10.622 22.378 6.361 173 1HG2 VAL 21 1HG2 VAL 21 -12.370 25.245 7.805 174 2HG2 VAL 21 2HG2 VAL 21 -10.817 25.841 7.219 175 3HG2 VAL 21 3HG2 VAL 21 -10.905 24.302 8.074 176 H ASP 22 H ASP 22 -12.090 26.160 2.565 177 HA ASP 22 HA ASP 22 -13.382 23.737 1.507 178 1HB ASP 22 1HB ASP 22 -14.536 25.988 1.346 179 2HB ASP 22 2HB ASP 22 -13.272 26.464 0.215 180 H ALA 23 H ALA 23 -12.684 22.734 -0.301 181 HA ALA 23 HA ALA 23 -9.991 22.498 -0.800 182 1HB ALA 23 1HB ALA 23 -10.661 20.874 -2.180 183 2HB ALA 23 2HB ALA 23 -11.647 21.976 -3.143 184 3HB ALA 23 3HB ALA 23 -12.291 21.292 -1.648 185 H ALA 24 H ALA 24 -12.350 24.517 -2.508 186 HA ALA 24 HA ALA 24 -10.569 25.512 -4.471 187 1HB ALA 24 1HB ALA 24 -13.258 26.345 -3.465 188 2HB ALA 24 2HB ALA 24 -12.794 25.743 -5.055 189 3HB ALA 24 3HB ALA 24 -12.364 27.384 -4.575 190 H THR 25 H THR 25 -11.316 26.469 -1.193 191 HA THR 25 HA THR 25 -10.287 29.086 -1.246 192 HB THR 25 HB THR 25 -10.554 27.066 0.989 193 HG1 THR 25 HG1 THR 25 -12.337 28.302 1.519 194 1HG2 THR 25 1HG2 THR 25 -9.121 28.358 2.131 195 2HG2 THR 25 2HG2 THR 25 -10.554 29.368 2.327 196 3HG2 THR 25 3HG2 THR 25 -9.365 29.757 1.084 197 H PHE 26 H PHE 26 -8.771 25.958 -0.818 198 HA PHE 26 HA PHE 26 -6.218 26.935 -0.041 199 1HB PHE 26 1HB PHE 26 -7.056 24.553 0.239 200 2HB PHE 26 2HB PHE 26 -6.717 24.329 -1.476 201 HD1 PHE 26 HD1 PHE 26 -5.104 25.392 1.702 202 HD2 PHE 26 HD2 PHE 26 -4.602 23.675 -2.159 203 HE1 PHE 26 HE1 PHE 26 -2.755 24.890 2.235 204 HE2 PHE 26 HE2 PHE 26 -2.253 23.169 -1.633 205 HZ PHE 26 HZ PHE 26 -1.327 23.777 0.566 206 H GLU 27 H GLU 27 -7.565 25.907 -3.157 207 HA GLU 27 HA GLU 27 -5.288 26.251 -4.718 208 1HB GLU 27 1HB GLU 27 -8.179 26.656 -5.494 209 2HB GLU 27 2HB GLU 27 -6.846 26.477 -6.625 210 1HG GLU 27 1HG GLU 27 -6.460 24.231 -5.930 211 2HG GLU 27 2HG GLU 27 -7.594 24.395 -4.590 212 H LYS 28 H LYS 28 -7.903 28.606 -4.125 213 HA LYS 28 HA LYS 28 -6.732 30.666 -5.648 214 1HB LYS 28 1HB LYS 28 -9.154 30.436 -4.883 215 2HB LYS 28 2HB LYS 28 -8.618 31.097 -3.345 216 1HG LYS 28 1HG LYS 28 -7.896 33.134 -4.428 217 2HG LYS 28 2HG LYS 28 -8.317 32.469 -6.007 218 1HD LYS 28 1HD LYS 28 -10.654 32.154 -4.639 219 2HD LYS 28 2HD LYS 28 -10.029 33.647 -3.934 220 1HE LYS 28 1HE LYS 28 -10.038 33.291 -6.902 221 2HE LYS 28 2HE LYS 28 -11.532 33.724 -6.070 222 1HZ LYS 28 1HZ LYS 28 -10.623 35.761 -6.602 223 2HZ LYS 28 2HZ LYS 28 -9.032 35.266 -6.307 224 3HZ LYS 28 3HZ LYS 28 -10.082 35.551 -5.011 225 H VAL 29 H VAL 29 -6.743 30.137 -2.106 226 HA VAL 29 HA VAL 29 -5.292 32.449 -1.462 227 HB VAL 29 HB VAL 29 -5.398 29.835 0.050 228 1HG1 VAL 29 1HG1 VAL 29 -4.782 31.127 2.012 229 2HG1 VAL 29 2HG1 VAL 29 -4.693 32.598 1.044 230 3HG1 VAL 29 3HG1 VAL 29 -3.541 31.291 0.767 231 1HG2 VAL 29 1HG2 VAL 29 -7.379 30.454 0.950 232 2HG2 VAL 29 2HG2 VAL 29 -7.527 31.343 -0.566 233 3HG2 VAL 29 3HG2 VAL 29 -6.992 32.174 0.895 234 H VAL 30 H VAL 30 -4.202 29.172 -2.233 235 HA VAL 30 HA VAL 30 -1.474 29.706 -1.610 236 HB VAL 30 HB VAL 30 -2.618 27.473 -3.296 237 1HG1 VAL 30 1HG1 VAL 30 0.087 27.730 -1.979 238 2HG1 VAL 30 2HG1 VAL 30 -0.232 27.790 -3.713 239 3HG1 VAL 30 3HG1 VAL 30 -0.522 26.301 -2.814 240 1HG2 VAL 30 1HG2 VAL 30 -3.241 27.849 -0.754 241 2HG2 VAL 30 2HG2 VAL 30 -1.666 27.093 -0.507 242 3HG2 VAL 30 3HG2 VAL 30 -2.924 26.238 -1.399 243 H LYS 31 H LYS 31 -3.266 29.601 -4.717 244 HA LYS 31 HA LYS 31 -1.016 30.057 -6.331 245 1HB LYS 31 1HB LYS 31 -3.382 29.317 -7.010 246 2HB LYS 31 2HB LYS 31 -3.797 31.025 -6.971 247 1HG LYS 31 1HG LYS 31 -2.140 31.498 -8.674 248 2HG LYS 31 2HG LYS 31 -1.637 29.807 -8.679 249 1HD LYS 31 1HD LYS 31 -3.559 29.096 -9.737 250 2HD LYS 31 2HD LYS 31 -4.502 30.479 -9.175 251 1HE LYS 31 1HE LYS 31 -2.942 31.876 -10.672 252 2HE LYS 31 2HE LYS 31 -2.514 30.338 -11.418 253 1HZ LYS 31 1HZ LYS 31 -5.124 30.129 -11.531 254 2HZ LYS 31 2HZ LYS 31 -4.247 30.935 -12.732 255 3HZ LYS 31 3HZ LYS 31 -5.031 31.819 -11.523 256 H GLN 32 H GLN 32 -3.361 32.281 -4.881 257 HA GLN 32 HA GLN 32 -2.289 34.637 -5.992 258 1HB GLN 32 1HB GLN 32 -4.542 34.475 -4.974 259 2HB GLN 32 2HB GLN 32 -3.794 34.317 -3.390 260 1HG GLN 32 1HG GLN 32 -4.223 36.536 -3.356 261 2HG GLN 32 2HG GLN 32 -2.638 36.583 -4.124 262 1HE2 GLN 32 1HE2 GLN 32 -6.008 36.063 -5.120 263 2HE2 GLN 32 2HE2 GLN 32 -5.952 37.135 -6.473 264 H PHE 33 H PHE 33 -1.678 33.020 -2.861 265 HA PHE 33 HA PHE 33 0.128 34.984 -1.939 266 1HB PHE 33 1HB PHE 33 -0.825 33.767 -0.230 267 2HB PHE 33 2HB PHE 33 -0.710 32.247 -1.101 268 HD1 PHE 33 HD1 PHE 33 1.746 34.790 0.161 269 HD2 PHE 33 HD2 PHE 33 0.554 30.712 -0.061 270 HE1 PHE 33 HE1 PHE 33 3.709 34.142 1.503 271 HE2 PHE 33 HE2 PHE 33 2.515 30.058 1.271 272 HZ PHE 33 HZ PHE 33 4.097 31.768 2.047 273 H PHE 34 H PHE 34 0.645 31.829 -3.505 274 HA PHE 34 HA PHE 34 3.482 32.112 -3.393 275 1HB PHE 34 1HB PHE 34 1.635 30.089 -4.575 276 2HB PHE 34 2HB PHE 34 3.337 30.091 -5.047 277 HD1 PHE 34 HD1 PHE 34 1.005 29.707 -2.223 278 HD2 PHE 34 HD2 PHE 34 5.049 29.441 -3.521 279 HE1 PHE 34 HE1 PHE 34 1.606 28.593 -0.115 280 HE2 PHE 34 HE2 PHE 34 5.655 28.324 -1.416 281 HZ PHE 34 HZ PHE 34 3.936 27.909 0.298 282 H ASN 35 H ASN 35 1.071 32.939 -5.795 283 HA ASN 35 HA ASN 35 2.734 33.173 -8.035 284 1HB ASN 35 1HB ASN 35 0.179 34.501 -7.221 285 2HB ASN 35 2HB ASN 35 1.046 35.110 -8.626 286 1HD2 ASN 35 1HD2 ASN 35 1.099 31.704 -7.778 287 2HD2 ASN 35 2HD2 ASN 35 0.113 31.178 -9.094 288 H ASP 36 H ASP 36 2.368 35.232 -5.260 289 HA ASP 36 HA ASP 36 3.542 37.583 -6.241 290 1HB ASP 36 1HB ASP 36 3.397 36.457 -3.446 291 2HB ASP 36 2HB ASP 36 3.995 38.072 -3.818 292 H ASN 37 H ASN 37 4.977 34.561 -5.528 293 HA ASN 37 HA ASN 37 7.640 35.807 -5.324 294 1HB ASN 37 1HB ASN 37 8.450 33.724 -4.380 295 2HB ASN 37 2HB ASN 37 7.042 34.279 -3.483 296 1HD2 ASN 37 1HD2 ASN 37 5.596 32.804 -3.038 297 2HD2 ASN 37 2HD2 ASN 37 5.328 31.339 -3.912 298 H GLY 38 H GLY 38 5.654 33.897 -7.411 299 1HA GLY 38 1HA GLY 38 6.605 34.071 -9.760 300 2HA GLY 38 2HA GLY 38 8.018 33.291 -9.077 301 H VAL 39 H VAL 39 5.072 32.111 -7.779 302 HA VAL 39 HA VAL 39 5.455 29.618 -9.231 303 HB VAL 39 HB VAL 39 3.428 30.203 -7.068 304 1HG1 VAL 39 1HG1 VAL 39 2.736 28.246 -8.109 305 2HG1 VAL 39 2HG1 VAL 39 3.741 27.648 -6.789 306 3HG1 VAL 39 3HG1 VAL 39 4.387 27.712 -8.428 307 1HG2 VAL 39 1HG2 VAL 39 5.261 30.471 -5.781 308 2HG2 VAL 39 2HG2 VAL 39 6.320 29.655 -6.931 309 3HG2 VAL 39 3HG2 VAL 39 5.307 28.709 -5.838 310 H ASP 40 H ASP 40 3.948 28.672 -10.578 311 HA ASP 40 HA ASP 40 1.381 29.901 -11.033 312 1HB ASP 40 1HB ASP 40 3.631 30.189 -12.999 313 2HB ASP 40 2HB ASP 40 1.965 30.119 -13.560 314 H GLY 41 H GLY 41 0.463 28.827 -13.211 315 1HA GLY 41 1HA GLY 41 0.623 26.718 -14.514 316 2HA GLY 41 2HA GLY 41 1.070 25.938 -13.005 317 H GLU 42 H GLU 42 -0.618 24.487 -12.942 318 HA GLU 42 HA GLU 42 -3.179 25.623 -12.158 319 1HB GLU 42 1HB GLU 42 -2.812 23.789 -14.521 320 2HB GLU 42 2HB GLU 42 -4.353 23.949 -13.687 321 1HG GLU 42 1HG GLU 42 -4.452 26.294 -14.231 322 2HG GLU 42 2HG GLU 42 -2.847 26.227 -14.953 323 H TRP 43 H TRP 43 -4.559 24.113 -11.068 324 HA TRP 43 HA TRP 43 -3.090 22.248 -9.471 325 1HB TRP 43 1HB TRP 43 -5.993 23.041 -9.589 326 2HB TRP 43 2HB TRP 43 -5.417 21.761 -8.523 327 HD1 TRP 43 HD1 TRP 43 -5.687 25.492 -8.783 328 HE1 TRP 43 HE1 TRP 43 -4.660 26.587 -6.695 329 HE3 TRP 43 HE3 TRP 43 -3.402 21.391 -6.760 330 HZ2 TRP 43 HZ2 TRP 43 -3.086 25.814 -4.480 331 HZ3 TRP 43 HZ3 TRP 43 -2.155 21.654 -4.655 332 HH2 TRP 43 HH2 TRP 43 -2.001 23.821 -3.540 333 H THR 44 H THR 44 -2.559 20.311 -10.069 334 HA THR 44 HA THR 44 -4.328 18.853 -11.909 335 HB THR 44 HB THR 44 -2.404 17.604 -12.641 336 HG1 THR 44 HG1 THR 44 -0.912 17.320 -11.207 337 1HG2 THR 44 1HG2 THR 44 -2.678 19.838 -13.654 338 2HG2 THR 44 2HG2 THR 44 -1.007 19.275 -13.629 339 3HG2 THR 44 3HG2 THR 44 -1.548 20.480 -12.460 340 H TYR 45 H TYR 45 -4.963 16.821 -11.438 341 HA TYR 45 HA TYR 45 -5.119 16.097 -8.686 342 1HB TYR 45 1HB TYR 45 -6.032 14.826 -11.246 343 2HB TYR 45 2HB TYR 45 -6.100 13.920 -9.738 344 HD1 TYR 45 HD1 TYR 45 -7.558 16.629 -11.684 345 HD2 TYR 45 HD2 TYR 45 -7.580 14.658 -7.914 346 HE1 TYR 45 HE1 TYR 45 -9.704 17.702 -11.142 347 HE2 TYR 45 HE2 TYR 45 -9.725 15.724 -7.361 348 HH TYR 45 HH TYR 45 -10.918 18.325 -8.829 349 H ASP 46 H ASP 46 -4.168 14.397 -7.587 350 HA ASP 46 HA ASP 46 -1.521 13.713 -8.404 351 1HB ASP 46 1HB ASP 46 -3.271 12.928 -6.083 352 2HB ASP 46 2HB ASP 46 -1.713 12.151 -6.343 353 H ASP 47 H ASP 47 -0.702 11.514 -8.620 354 HA ASP 47 HA ASP 47 -2.182 9.995 -10.490 355 1HB ASP 47 1HB ASP 47 0.212 9.066 -8.890 356 2HB ASP 47 2HB ASP 47 -0.344 8.428 -10.436 357 H ALA 48 H ALA 48 -3.599 8.378 -10.235 358 HA ALA 48 HA ALA 48 -4.830 7.809 -7.829 359 1HB ALA 48 1HB ALA 48 -4.711 6.221 -10.381 360 2HB ALA 48 2HB ALA 48 -5.967 7.347 -9.856 361 3HB ALA 48 3HB ALA 48 -5.759 5.803 -9.023 362 H THR 49 H THR 49 -4.685 6.254 -6.297 363 HA THR 49 HA THR 49 -2.574 4.233 -6.509 364 HB THR 49 HB THR 49 -2.948 5.816 -3.975 365 HG1 THR 49 HG1 THR 49 -1.341 7.172 -4.613 366 1HG2 THR 49 1HG2 THR 49 -1.745 3.762 -3.677 367 2HG2 THR 49 2HG2 THR 49 -0.627 5.119 -3.551 368 3HG2 THR 49 3HG2 THR 49 -0.676 4.151 -5.024 369 H LYS 50 H LYS 50 -2.848 2.441 -5.010 370 HA LYS 50 HA LYS 50 -5.598 2.214 -3.973 371 1HB LYS 50 1HB LYS 50 -4.034 0.326 -5.687 372 2HB LYS 50 2HB LYS 50 -5.202 -0.322 -4.543 373 1HG LYS 50 1HG LYS 50 -6.963 1.018 -5.583 374 2HG LYS 50 2HG LYS 50 -5.790 1.660 -6.733 375 1HD LYS 50 1HD LYS 50 -6.066 -1.294 -6.484 376 2HD LYS 50 2HD LYS 50 -7.324 -0.401 -7.340 377 1HE LYS 50 1HE LYS 50 -5.485 0.650 -8.706 378 2HE LYS 50 2HE LYS 50 -4.385 -0.516 -7.974 379 1HZ LYS 50 1HZ LYS 50 -5.210 -1.259 -10.132 380 2HZ LYS 50 2HZ LYS 50 -6.801 -1.209 -9.556 381 3HZ LYS 50 3HZ LYS 50 -5.695 -2.308 -8.893 382 H THR 51 H THR 51 -5.696 1.801 -1.890 383 HA THR 51 HA THR 51 -3.340 0.664 -0.547 384 HB THR 51 HB THR 51 -5.549 2.476 0.454 385 HG1 THR 51 HG1 THR 51 -3.965 3.948 0.598 386 1HG2 THR 51 1HG2 THR 51 -4.188 2.555 2.581 387 2HG2 THR 51 2HG2 THR 51 -3.421 1.064 2.038 388 3HG2 THR 51 3HG2 THR 51 -5.160 1.106 2.329 389 H PHE 52 H PHE 52 -3.501 -1.212 0.569 390 HA PHE 52 HA PHE 52 -5.902 -2.775 0.245 391 1HB PHE 52 1HB PHE 52 -3.606 -3.735 -0.002 392 2HB PHE 52 2HB PHE 52 -3.368 -3.505 1.729 393 HD1 PHE 52 HD1 PHE 52 -5.325 -5.336 -0.806 394 HD2 PHE 52 HD2 PHE 52 -4.266 -5.019 3.303 395 HE1 PHE 52 HE1 PHE 52 -6.349 -7.532 -0.378 396 HE2 PHE 52 HE2 PHE 52 -5.286 -7.215 3.739 397 HZ PHE 52 HZ PHE 52 -6.328 -8.475 1.898 398 H THR 53 H THR 53 -7.554 -2.677 1.613 399 HA THR 53 HA THR 53 -7.141 -1.701 4.330 400 HB THR 53 HB THR 53 -9.688 -2.382 2.842 401 HG1 THR 53 HG1 THR 53 -8.397 -0.510 2.146 402 1HG2 THR 53 1HG2 THR 53 -10.756 -2.219 4.768 403 2HG2 THR 53 2HG2 THR 53 -10.218 -0.542 4.871 404 3HG2 THR 53 3HG2 THR 53 -9.264 -1.821 5.620 405 H VAL 54 H VAL 54 -6.893 -3.037 6.001 406 HA VAL 54 HA VAL 54 -7.050 -5.864 5.680 407 HB VAL 54 HB VAL 54 -6.898 -4.475 8.344 408 1HG1 VAL 54 1HG1 VAL 54 -5.366 -6.486 8.749 409 2HG1 VAL 54 2HG1 VAL 54 -6.057 -7.143 7.265 410 3HG1 VAL 54 3HG1 VAL 54 -7.101 -6.782 8.640 411 1HG2 VAL 54 1HG2 VAL 54 -4.771 -4.752 6.247 412 2HG2 VAL 54 2HG2 VAL 54 -4.359 -4.691 7.961 413 3HG2 VAL 54 3HG2 VAL 54 -5.206 -3.338 7.209 414 H THR 55 H THR 55 -8.360 -7.329 6.902 415 HA THR 55 HA THR 55 -10.792 -6.298 8.104 416 HB THR 55 HB THR 55 -10.882 -8.150 5.718 417 HG1 THR 55 HG1 THR 55 -11.768 -5.472 6.001 418 1HG2 THR 55 1HG2 THR 55 -13.399 -7.377 5.971 419 2HG2 THR 55 2HG2 THR 55 -12.938 -7.311 7.670 420 3HG2 THR 55 3HG2 THR 55 -12.771 -8.816 6.769 421 H GLU 56 H GLU 56 -9.768 -9.417 6.764 422 HA GLU 56 HA GLU 56 -9.517 -11.478 7.695 423 1HB GLU 56 1HB GLU 56 -9.065 -10.053 10.316 424 2HB GLU 56 2HB GLU 56 -8.484 -11.643 9.845 425 1HG GLU 56 1HG GLU 56 -6.925 -10.724 8.322 426 2HG GLU 56 2HG GLU 56 -7.644 -9.118 8.453 427 1H MET 1 1H MET 1 -10.166 17.947 2.300 428 2H MET 1 2H MET 1 -10.185 16.230 2.270 429 3H MET 1 3H MET 1 -11.388 17.119 1.427 430 HA MET 1 HA MET 1 -9.649 16.169 0.019 431 1HB MET 1 1HB MET 1 -11.064 18.127 -0.570 432 2HB MET 1 2HB MET 1 -9.832 19.186 0.103 433 1HG MET 1 1HG MET 1 -9.451 19.234 -2.190 434 2HG MET 1 2HG MET 1 -8.238 18.115 -1.570 435 1HE MET 1 1HE MET 1 -8.563 15.100 -3.410 436 2HE MET 1 2HE MET 1 -9.176 15.012 -1.759 437 3HE MET 1 3HE MET 1 -7.821 16.075 -2.141 438 H GLN 2 H GLN 2 -7.590 15.626 -0.073 439 HA GLN 2 HA GLN 2 -5.667 16.929 1.685 440 1HB GLN 2 1HB GLN 2 -5.827 14.431 1.496 441 2HB GLN 2 2HB GLN 2 -5.228 14.571 -0.152 442 1HG GLN 2 1HG GLN 2 -3.131 15.388 0.587 443 2HG GLN 2 2HG GLN 2 -3.722 15.608 2.232 444 1HE2 GLN 2 1HE2 GLN 2 -2.894 13.226 -0.208 445 2HE2 GLN 2 2HE2 GLN 2 -2.584 11.930 0.892 446 H TYR 3 H TYR 3 -4.302 18.456 1.036 447 HA TYR 3 HA TYR 3 -3.887 18.792 -1.857 448 1HB TYR 3 1HB TYR 3 -4.137 20.770 0.374 449 2HB TYR 3 2HB TYR 3 -3.251 21.200 -1.087 450 HD1 TYR 3 HD1 TYR 3 -6.543 20.450 0.325 451 HD2 TYR 3 HD2 TYR 3 -4.401 21.438 -3.216 452 HE1 TYR 3 HE1 TYR 3 -8.662 20.996 -0.800 453 HE2 TYR 3 HE2 TYR 3 -6.512 21.988 -4.349 454 HH TYR 3 HH TYR 3 -8.798 22.650 -3.762 455 H LYS 4 H LYS 4 -1.968 18.756 -2.683 456 HA LYS 4 HA LYS 4 0.357 18.489 -0.891 457 1HB LYS 4 1HB LYS 4 -0.206 17.418 -3.641 458 2HB LYS 4 2HB LYS 4 1.443 17.529 -3.036 459 1HG LYS 4 1HG LYS 4 0.546 16.227 -1.000 460 2HG LYS 4 2HG LYS 4 -0.813 15.832 -2.052 461 1HD LYS 4 1HD LYS 4 0.883 15.018 -3.736 462 2HD LYS 4 2HD LYS 4 2.098 15.182 -2.466 463 1HE LYS 4 1HE LYS 4 0.433 13.735 -1.076 464 2HE LYS 4 2HE LYS 4 -0.202 13.285 -2.658 465 1HZ LYS 4 1HZ LYS 4 2.552 12.876 -1.638 466 2HZ LYS 4 2HZ LYS 4 2.125 12.660 -3.259 467 3HZ LYS 4 3HZ LYS 4 1.422 11.690 -2.065 468 H VAL 5 H VAL 5 1.899 19.982 -0.876 469 HA VAL 5 HA VAL 5 2.259 21.742 -3.188 470 HB VAL 5 HB VAL 5 2.011 22.847 -0.388 471 1HG1 VAL 5 1HG1 VAL 5 2.065 24.284 -3.037 472 2HG1 VAL 5 2HG1 VAL 5 3.474 24.063 -2.000 473 3HG1 VAL 5 3HG1 VAL 5 2.096 25.003 -1.426 474 1HG2 VAL 5 1HG2 VAL 5 -0.187 22.306 -0.819 475 2HG2 VAL 5 2HG2 VAL 5 -0.013 22.531 -2.561 476 3HG2 VAL 5 3HG2 VAL 5 -0.090 23.933 -1.494 477 H ILE 6 H ILE 6 4.351 21.881 -3.678 478 HA ILE 6 HA ILE 6 6.323 21.038 -1.691 479 HB ILE 6 HB ILE 6 6.762 21.559 -4.631 480 1HG1 ILE 6 1HG1 ILE 6 6.189 18.940 -3.227 481 2HG1 ILE 6 2HG1 ILE 6 5.066 19.799 -4.275 482 1HG2 ILE 6 1HG2 ILE 6 8.840 20.561 -4.396 483 2HG2 ILE 6 2HG2 ILE 6 8.396 19.754 -2.894 484 3HG2 ILE 6 3HG2 ILE 6 8.695 21.490 -2.905 485 1HD1 ILE 6 1HD1 ILE 6 7.742 18.756 -5.161 486 2HD1 ILE 6 2HD1 ILE 6 6.469 19.434 -6.173 487 3HD1 ILE 6 3HD1 ILE 6 6.218 17.894 -5.356 488 H LEU 7 H LEU 7 7.359 22.533 -0.548 489 HA LEU 7 HA LEU 7 7.850 25.169 -1.777 490 1HB LEU 7 1HB LEU 7 7.016 24.373 0.946 491 2HB LEU 7 2HB LEU 7 8.236 25.630 0.870 492 HG LEU 7 HG LEU 7 6.414 26.547 -0.948 493 1HD1 LEU 7 1HD1 LEU 7 5.032 24.519 0.254 494 2HD1 LEU 7 2HD1 LEU 7 4.310 25.918 -0.539 495 3HD1 LEU 7 3HD1 LEU 7 4.545 25.920 1.208 496 1HD2 LEU 7 1HD2 LEU 7 6.201 27.165 1.989 497 2HD2 LEU 7 2HD2 LEU 7 5.937 28.243 0.619 498 3HD2 LEU 7 3HD2 LEU 7 7.568 27.697 1.008 499 H ASN 8 H ASN 8 9.914 25.625 -2.214 500 HA ASN 8 HA ASN 8 12.036 24.733 -0.470 501 1HB ASN 8 1HB ASN 8 13.314 23.632 -2.301 502 2HB ASN 8 2HB ASN 8 11.842 22.768 -1.869 503 1HD2 ASN 8 1HD2 ASN 8 13.575 23.139 -4.376 504 2HD2 ASN 8 2HD2 ASN 8 12.413 23.425 -5.621 505 H GLY 9 H GLY 9 13.043 26.611 -0.166 506 1HA GLY 9 1HA GLY 9 13.022 28.758 -2.005 507 2HA GLY 9 2HA GLY 9 14.050 28.632 -0.587 508 H LYS 10 H LYS 10 13.765 27.906 -4.004 509 HA LYS 10 HA LYS 10 16.680 27.920 -4.196 510 1HB LYS 10 1HB LYS 10 14.906 25.636 -4.865 511 2HB LYS 10 2HB LYS 10 16.195 25.994 -6.006 512 1HG LYS 10 1HG LYS 10 16.958 25.880 -3.156 513 2HG LYS 10 2HG LYS 10 16.492 24.357 -3.913 514 1HD LYS 10 1HD LYS 10 18.446 26.187 -5.254 515 2HD LYS 10 2HD LYS 10 18.976 25.091 -3.977 516 1HE LYS 10 1HE LYS 10 17.419 24.164 -6.378 517 2HE LYS 10 2HE LYS 10 19.181 24.243 -6.360 518 1HZ LYS 10 1HZ LYS 10 18.883 22.118 -5.668 519 2HZ LYS 10 2HZ LYS 10 17.386 22.424 -4.941 520 3HZ LYS 10 3HZ LYS 10 18.815 22.875 -4.155 521 H THR 11 H THR 11 17.457 28.301 -6.385 522 HA THR 11 HA THR 11 17.508 29.603 -8.250 523 HB THR 11 HB THR 11 15.802 29.151 -9.928 524 HG1 THR 11 HG1 THR 11 13.854 28.793 -9.298 525 1HG2 THR 11 1HG2 THR 11 16.649 27.152 -10.310 526 2HG2 THR 11 2HG2 THR 11 15.729 26.463 -8.974 527 3HG2 THR 11 3HG2 THR 11 17.322 27.157 -8.681 528 H LEU 12 H LEU 12 17.535 31.653 -7.380 529 HA LEU 12 HA LEU 12 15.258 33.289 -7.958 530 1HB LEU 12 1HB LEU 12 14.903 32.227 -5.614 531 2HB LEU 12 2HB LEU 12 16.139 33.358 -5.094 532 HG LEU 12 HG LEU 12 13.814 34.437 -6.612 533 1HD1 LEU 12 1HD1 LEU 12 12.284 34.256 -4.944 534 2HD1 LEU 12 2HD1 LEU 12 13.508 34.182 -3.676 535 3HD1 LEU 12 3HD1 LEU 12 13.169 32.758 -4.658 536 1HD2 LEU 12 1HD2 LEU 12 14.844 35.689 -4.150 537 2HD2 LEU 12 2HD2 LEU 12 14.442 36.406 -5.712 538 3HD2 LEU 12 3HD2 LEU 12 15.987 35.579 -5.493 539 H LYS 13 H LYS 13 15.753 35.502 -8.004 540 HA LYS 13 HA LYS 13 18.549 36.212 -7.433 541 1HB LYS 13 1HB LYS 13 18.086 35.742 -9.901 542 2HB LYS 13 2HB LYS 13 17.086 37.190 -9.882 543 1HG LYS 13 1HG LYS 13 18.982 38.202 -10.515 544 2HG LYS 13 2HG LYS 13 19.362 38.151 -8.792 545 1HD LYS 13 1HD LYS 13 20.080 35.822 -10.515 546 2HD LYS 13 2HD LYS 13 21.082 37.273 -10.568 547 1HE LYS 13 1HE LYS 13 21.159 37.112 -8.026 548 2HE LYS 13 2HE LYS 13 20.501 35.486 -8.221 549 1HZ LYS 13 1HZ LYS 13 22.935 36.333 -9.665 550 2HZ LYS 13 2HZ LYS 13 22.407 34.767 -9.314 551 3HZ LYS 13 3HZ LYS 13 23.019 35.747 -8.080 552 H GLY 14 H GLY 14 18.644 37.876 -6.088 553 1HA GLY 14 1HA GLY 14 18.199 40.203 -5.638 554 2HA GLY 14 2HA GLY 14 16.580 39.972 -6.283 555 H GLU 15 H GLU 15 18.653 38.647 -3.701 556 HA GLU 15 HA GLU 15 16.430 37.946 -2.057 557 1HB GLU 15 1HB GLU 15 19.364 38.202 -1.377 558 2HB GLU 15 2HB GLU 15 18.146 37.476 -0.339 559 1HG GLU 15 1HG GLU 15 17.781 35.700 -1.896 560 2HG GLU 15 2HG GLU 15 18.816 36.476 -3.094 561 H THR 16 H THR 16 15.276 39.218 -0.777 562 HA THR 16 HA THR 16 16.161 41.943 -0.283 563 HB THR 16 HB THR 16 13.572 40.666 0.603 564 HG1 THR 16 HG1 THR 16 14.265 41.824 -1.882 565 1HG2 THR 16 1HG2 THR 16 12.667 42.895 0.505 566 2HG2 THR 16 2HG2 THR 16 14.215 43.532 -0.048 567 3HG2 THR 16 3HG2 THR 16 14.066 42.863 1.577 568 H THR 17 H THR 17 14.861 39.274 1.698 569 HA THR 17 HA THR 17 16.756 39.936 3.808 570 HB THR 17 HB THR 17 13.851 39.661 4.534 571 HG1 THR 17 HG1 THR 17 13.539 41.540 3.683 572 1HG2 THR 17 1HG2 THR 17 15.780 41.340 6.028 573 2HG2 THR 17 2HG2 THR 17 15.916 39.588 6.172 574 3HG2 THR 17 3HG2 THR 17 14.410 40.394 6.607 575 H THR 18 H THR 18 13.973 37.894 2.937 576 HA THR 18 HA THR 18 15.534 35.543 3.704 577 HB THR 18 HB THR 18 14.239 35.966 5.682 578 HG1 THR 18 HG1 THR 18 14.040 33.878 5.561 579 1HG2 THR 18 1HG2 THR 18 12.453 37.304 5.306 580 2HG2 THR 18 2HG2 THR 18 11.630 35.745 5.308 581 3HG2 THR 18 3HG2 THR 18 12.043 36.523 3.779 582 H GLU 19 H GLU 19 14.362 33.490 3.011 583 HA GLU 19 HA GLU 19 13.656 33.773 0.245 584 1HB GLU 19 1HB GLU 19 13.636 31.308 1.998 585 2HB GLU 19 2HB GLU 19 13.539 31.326 0.241 586 1HG GLU 19 1HG GLU 19 15.781 32.399 0.194 587 2HG GLU 19 2HG GLU 19 15.871 32.176 1.939 588 H ALA 20 H ALA 20 11.705 33.224 -0.750 589 HA ALA 20 HA ALA 20 9.367 33.746 0.868 590 1HB ALA 20 1HB ALA 20 9.897 33.532 -2.063 591 2HB ALA 20 2HB ALA 20 9.232 34.879 -1.134 592 3HB ALA 20 3HB ALA 20 8.240 33.456 -1.457 593 H VAL 21 H VAL 21 10.008 31.275 -1.599 594 HA VAL 21 HA VAL 21 8.005 29.527 -0.570 595 HB VAL 21 HB VAL 21 10.194 28.701 -2.469 596 1HG1 VAL 21 1HG1 VAL 21 7.336 27.812 -2.504 597 2HG1 VAL 21 2HG1 VAL 21 8.495 27.077 -1.397 598 3HG1 VAL 21 3HG1 VAL 21 8.767 26.997 -3.138 599 1HG2 VAL 21 1HG2 VAL 21 9.447 30.564 -3.604 600 2HG2 VAL 21 2HG2 VAL 21 7.813 30.438 -2.949 601 3HG2 VAL 21 3HG2 VAL 21 8.346 29.325 -4.210 602 H ASP 22 H ASP 22 9.148 29.776 1.652 603 HA ASP 22 HA ASP 22 11.181 27.684 2.020 604 1HB ASP 22 1HB ASP 22 11.582 30.038 2.875 605 2HB ASP 22 2HB ASP 22 10.298 29.742 4.044 606 H ALA 23 H ALA 23 10.922 26.037 3.432 607 HA ALA 23 HA ALA 23 8.463 24.838 3.717 608 1HB ALA 23 1HB ALA 23 9.675 23.181 4.600 609 2HB ALA 23 2HB ALA 23 10.313 24.210 5.884 610 3HB ALA 23 3HB ALA 23 11.065 24.222 4.286 611 H ALA 24 H ALA 24 10.153 26.921 6.033 612 HA ALA 24 HA ALA 24 8.251 26.702 8.118 613 1HB ALA 24 1HB ALA 24 10.498 28.580 7.518 614 2HB ALA 24 2HB ALA 24 10.317 27.436 8.851 615 3HB ALA 24 3HB ALA 24 9.377 28.932 8.835 616 H THR 25 H THR 25 8.508 28.741 5.292 617 HA THR 25 HA THR 25 6.721 30.779 6.046 618 HB THR 25 HB THR 25 7.501 29.671 3.340 619 HG1 THR 25 HG1 THR 25 8.795 31.482 3.274 620 1HG2 THR 25 1HG2 THR 25 5.686 30.721 2.549 621 2HG2 THR 25 2HG2 THR 25 6.722 32.141 2.717 622 3HG2 THR 25 3HG2 THR 25 5.528 31.767 3.963 623 H PHE 26 H PHE 26 6.233 27.596 4.674 624 HA PHE 26 HA PHE 26 3.468 27.909 4.089 625 1HB PHE 26 1HB PHE 26 4.991 26.092 3.177 626 2HB PHE 26 2HB PHE 26 4.823 25.294 4.740 627 HD1 PHE 26 HD1 PHE 26 2.798 26.670 1.940 628 HD2 PHE 26 HD2 PHE 26 3.063 23.837 5.105 629 HE1 PHE 26 HE1 PHE 26 0.698 25.634 1.183 630 HE2 PHE 26 HE2 PHE 26 0.965 22.794 4.352 631 HZ PHE 26 HZ PHE 26 -0.220 23.693 2.389 632 H GLU 27 H GLU 27 5.216 26.504 6.838 633 HA GLU 27 HA GLU 27 3.022 25.660 8.327 634 1HB GLU 27 1HB GLU 27 5.683 26.704 9.313 635 2HB GLU 27 2HB GLU 27 4.524 25.808 10.290 636 1HG GLU 27 1HG GLU 27 4.820 23.847 8.973 637 2HG GLU 27 2HG GLU 27 5.771 24.725 7.776 638 H LYS 28 H LYS 28 4.744 28.780 8.558 639 HA LYS 28 HA LYS 28 3.065 29.841 10.553 640 1HB LYS 28 1HB LYS 28 5.399 30.607 9.860 641 2HB LYS 28 2HB LYS 28 4.605 31.489 8.564 642 1HG LYS 28 1HG LYS 28 3.342 32.783 10.171 643 2HG LYS 28 2HG LYS 28 4.041 31.855 11.499 644 1HD LYS 28 1HD LYS 28 6.277 32.703 10.196 645 2HD LYS 28 2HD LYS 28 5.180 34.058 9.926 646 1HE LYS 28 1HE LYS 28 5.456 32.894 12.663 647 2HE LYS 28 2HE LYS 28 6.692 33.993 12.053 648 1HZ LYS 28 1HZ LYS 28 5.234 35.415 13.089 649 2HZ LYS 28 2HZ LYS 28 3.861 34.535 12.642 650 3HZ LYS 28 3HZ LYS 28 4.669 35.479 11.496 651 H VAL 29 H VAL 29 3.071 30.380 7.015 652 HA VAL 29 HA VAL 29 0.944 32.211 6.995 653 HB VAL 29 HB VAL 29 1.788 30.310 4.803 654 1HG1 VAL 29 1HG1 VAL 29 0.705 31.847 3.266 655 2HG1 VAL 29 2HG1 VAL 29 0.212 32.878 4.608 656 3HG1 VAL 29 3HG1 VAL 29 -0.463 31.256 4.449 657 1HG2 VAL 29 1HG2 VAL 29 3.431 31.749 4.212 658 2HG2 VAL 29 2HG2 VAL 29 3.365 32.163 5.925 659 3HG2 VAL 29 3HG2 VAL 29 2.529 33.169 4.740 660 H VAL 30 H VAL 30 0.962 28.681 6.747 661 HA VAL 30 HA VAL 30 -1.825 28.498 6.173 662 HB VAL 30 HB VAL 30 0.032 26.345 7.203 663 1HG1 VAL 30 1HG1 VAL 30 -2.676 26.119 5.885 664 2HG1 VAL 30 2HG1 VAL 30 -2.315 25.775 7.575 665 3HG1 VAL 30 3HG1 VAL 30 -1.619 24.773 6.304 666 1HG2 VAL 30 1HG2 VAL 30 0.409 27.600 4.915 667 2HG2 VAL 30 2HG2 VAL 30 -0.881 26.525 4.377 668 3HG2 VAL 30 3HG2 VAL 30 0.607 25.851 5.043 669 H LYS 31 H LYS 31 0.055 28.070 9.201 670 HA LYS 31 HA LYS 31 -2.146 27.324 10.773 671 1HB LYS 31 1HB LYS 31 0.365 27.197 11.315 672 2HB LYS 31 2HB LYS 31 0.218 28.882 11.796 673 1HG LYS 31 1HG LYS 31 -1.416 28.292 13.482 674 2HG LYS 31 2HG LYS 31 -1.369 26.606 12.964 675 1HD LYS 31 1HD LYS 31 0.720 26.249 13.867 676 2HD LYS 31 2HD LYS 31 1.170 27.953 13.771 677 1HE LYS 31 1HE LYS 31 -0.675 28.312 15.532 678 2HE LYS 31 2HE LYS 31 -0.571 26.570 15.785 679 1HZ LYS 31 1HZ LYS 31 1.978 27.154 15.951 680 2HZ LYS 31 2HZ LYS 31 0.953 27.272 17.293 681 3HZ LYS 31 3HZ LYS 31 1.369 28.662 16.423 682 H GLN 32 H GLN 32 -0.677 30.482 10.127 683 HA GLN 32 HA GLN 32 -2.373 31.968 11.815 684 1HB GLN 32 1HB GLN 32 -0.231 32.811 10.898 685 2HB GLN 32 2HB GLN 32 -0.967 32.890 9.302 686 1HG GLN 32 1HG GLN 32 -1.247 35.045 9.926 687 2HG GLN 32 2HG GLN 32 -2.732 34.376 10.601 688 1HE2 GLN 32 1HE2 GLN 32 0.678 34.653 11.563 689 2HE2 GLN 32 2HE2 GLN 32 0.355 35.223 13.163 690 H PHE 33 H PHE 33 -2.599 31.206 8.330 691 HA PHE 33 HA PHE 33 -4.969 32.687 7.924 692 1HB PHE 33 1HB PHE 33 -3.770 32.369 5.983 693 2HB PHE 33 2HB PHE 33 -3.361 30.709 6.377 694 HD1 PHE 33 HD1 PHE 33 -6.549 32.601 5.784 695 HD2 PHE 33 HD2 PHE 33 -4.130 29.218 4.886 696 HE1 PHE 33 HE1 PHE 33 -8.274 31.781 4.226 697 HE2 PHE 33 HE2 PHE 33 -5.850 28.389 3.336 698 HZ PHE 33 HZ PHE 33 -7.925 29.661 3.009 699 H PHE 34 H PHE 34 -4.404 29.219 8.497 700 HA PHE 34 HA PHE 34 -7.191 28.626 8.341 701 1HB PHE 34 1HB PHE 34 -4.754 27.028 8.978 702 2HB PHE 34 2HB PHE 34 -6.347 26.367 9.354 703 HD1 PHE 34 HD1 PHE 34 -4.149 27.547 6.645 704 HD2 PHE 34 HD2 PHE 34 -7.844 25.677 7.628 705 HE1 PHE 34 HE1 PHE 34 -4.470 26.946 4.282 706 HE2 PHE 34 HE2 PHE 34 -8.169 25.070 5.267 707 HZ PHE 34 HZ PHE 34 -6.488 25.716 3.586 708 H ASN 35 H ASN 35 -5.044 29.436 10.987 709 HA ASN 35 HA ASN 35 -6.589 28.490 13.120 710 1HB ASN 35 1HB ASN 35 -4.611 30.717 12.841 711 2HB ASN 35 2HB ASN 35 -5.557 30.599 14.320 712 1HD2 ASN 35 1HD2 ASN 35 -4.590 27.742 12.524 713 2HD2 ASN 35 2HD2 ASN 35 -3.431 27.189 13.680 714 H ASP 36 H ASP 36 -7.012 31.266 11.076 715 HA ASP 36 HA ASP 36 -8.809 32.751 12.638 716 1HB ASP 36 1HB ASP 36 -8.456 32.582 9.645 717 2HB ASP 36 2HB ASP 36 -9.505 33.752 10.442 718 H ASN 37 H ASN 37 -9.266 29.772 11.023 719 HA ASN 37 HA ASN 37 -12.190 30.130 11.061 720 1HB ASN 37 1HB ASN 37 -12.358 28.264 9.521 721 2HB ASN 37 2HB ASN 37 -11.236 29.463 8.887 722 1HD2 ASN 37 1HD2 ASN 37 -9.430 28.701 8.101 723 2HD2 ASN 37 2HD2 ASN 37 -8.678 27.206 8.528 724 H GLY 38 H GLY 38 -9.613 28.419 12.600 725 1HA GLY 38 1HA GLY 38 -10.457 27.604 14.853 726 2HA GLY 38 2HA GLY 38 -11.592 26.657 13.910 727 H VAL 39 H VAL 39 -8.488 26.872 12.466 728 HA VAL 39 HA VAL 39 -8.014 24.077 13.119 729 HB VAL 39 HB VAL 39 -6.371 25.858 11.316 730 1HG1 VAL 39 1HG1 VAL 39 -5.052 24.006 11.762 731 2HG1 VAL 39 2HG1 VAL 39 -5.905 23.512 10.300 732 3HG1 VAL 39 3HG1 VAL 39 -6.436 22.919 11.873 733 1HG2 VAL 39 1HG2 VAL 39 -8.253 25.902 10.075 734 2HG2 VAL 39 2HG2 VAL 39 -8.953 24.504 10.890 735 3HG2 VAL 39 3HG2 VAL 39 -7.751 24.274 9.621 736 H ASP 40 H ASP 40 -6.227 23.295 14.209 737 HA ASP 40 HA ASP 40 -4.149 25.072 15.115 738 1HB ASP 40 1HB ASP 40 -6.283 24.074 16.977 739 2HB ASP 40 2HB ASP 40 -4.650 24.368 17.569 740 H GLY 41 H GLY 41 -2.841 23.763 16.928 741 1HA GLY 41 1HA GLY 41 -2.281 21.428 17.569 742 2HA GLY 41 2HA GLY 41 -2.534 21.013 15.879 743 H GLU 42 H GLU 42 -0.477 20.246 15.471 744 HA GLU 42 HA GLU 42 1.560 22.300 15.171 745 1HB GLU 42 1HB GLU 42 1.891 19.854 16.898 746 2HB GLU 42 2HB GLU 42 3.268 20.702 16.206 747 1HG GLU 42 1HG GLU 42 2.684 22.713 17.393 748 2HG GLU 42 2HG GLU 42 1.208 21.965 18.000 749 H TRP 43 H TRP 43 3.292 21.676 13.760 750 HA TRP 43 HA TRP 43 2.405 19.981 11.631 751 1HB TRP 43 1HB TRP 43 4.919 21.571 12.101 752 2HB TRP 43 2HB TRP 43 4.716 20.538 10.687 753 HD1 TRP 43 HD1 TRP 43 3.813 23.921 12.037 754 HE1 TRP 43 HE1 TRP 43 2.400 25.199 10.307 755 HE3 TRP 43 HE3 TRP 43 2.846 20.091 8.793 756 HZ2 TRP 43 HZ2 TRP 43 1.050 24.654 7.888 757 HZ3 TRP 43 HZ3 TRP 43 1.485 20.553 6.797 758 HH2 TRP 43 HH2 TRP 43 0.605 22.787 6.355 759 H THR 44 H THR 44 2.537 17.893 11.619 760 HA THR 44 HA THR 44 4.756 16.596 13.045 761 HB THR 44 HB THR 44 3.351 14.653 13.292 762 HG1 THR 44 HG1 THR 44 1.928 14.342 11.800 763 1HG2 THR 44 1HG2 THR 44 2.971 16.461 14.926 764 2HG2 THR 44 2HG2 THR 44 1.551 15.451 14.656 765 3HG2 THR 44 3HG2 THR 44 1.649 17.051 13.920 766 H TYR 45 H TYR 45 5.969 15.091 12.040 767 HA TYR 45 HA TYR 45 6.213 15.272 9.206 768 1HB TYR 45 1HB TYR 45 7.598 13.674 11.332 769 2HB TYR 45 2HB TYR 45 7.873 13.305 9.634 770 HD1 TYR 45 HD1 TYR 45 8.508 15.657 12.338 771 HD2 TYR 45 HD2 TYR 45 8.954 14.960 8.165 772 HE1 TYR 45 HE1 TYR 45 10.182 17.455 12.222 773 HE2 TYR 45 HE2 TYR 45 10.630 16.755 8.037 774 HH TYR 45 HH TYR 45 11.021 19.064 10.219 775 H ASP 46 H ASP 46 5.781 13.754 7.623 776 HA ASP 46 HA ASP 46 3.526 12.072 8.089 777 1HB ASP 46 1HB ASP 46 5.314 12.578 5.722 778 2HB ASP 46 2HB ASP 46 4.095 11.307 5.677 779 H ASP 47 H ASP 47 3.448 9.761 7.625 780 HA ASP 47 HA ASP 47 5.418 8.311 9.043 781 1HB ASP 47 1HB ASP 47 3.355 7.184 7.140 782 2HB ASP 47 2HB ASP 47 4.159 6.334 8.457 783 H ALA 48 H ALA 48 7.251 7.354 8.395 784 HA ALA 48 HA ALA 48 8.482 7.914 5.986 785 1HB ALA 48 1HB ALA 48 8.985 5.702 7.960 786 2HB ALA 48 2HB ALA 48 9.801 7.262 7.844 787 3HB ALA 48 3HB ALA 48 10.043 6.044 6.591 788 H THR 49 H THR 49 8.749 6.907 4.068 789 HA THR 49 HA THR 49 7.380 4.361 3.594 790 HB THR 49 HB THR 49 7.124 6.637 1.641 791 HG1 THR 49 HG1 THR 49 5.204 7.181 2.567 792 1HG2 THR 49 1HG2 THR 49 6.599 4.489 0.712 793 2HG2 THR 49 2HG2 THR 49 5.111 5.408 0.935 794 3HG2 THR 49 3HG2 THR 49 5.532 4.124 2.067 795 H LYS 50 H LYS 50 8.128 3.250 1.661 796 HA LYS 50 HA LYS 50 10.759 4.197 0.730 797 1HB LYS 50 1HB LYS 50 9.942 1.511 1.760 798 2HB LYS 50 2HB LYS 50 11.197 1.612 0.531 799 1HG LYS 50 1HG LYS 50 12.506 3.073 1.986 800 2HG LYS 50 2HG LYS 50 11.249 2.968 3.219 801 1HD LYS 50 1HD LYS 50 12.416 0.445 2.147 802 2HD LYS 50 2HD LYS 50 13.369 1.401 3.286 803 1HE LYS 50 1HE LYS 50 11.351 1.385 4.800 804 2HE LYS 50 2HE LYS 50 10.643 0.195 3.709 805 1HZ LYS 50 1HZ LYS 50 11.754 -0.833 5.608 806 2HZ LYS 50 2HZ LYS 50 13.222 -0.129 5.146 807 3HZ LYS 50 3HZ LYS 50 12.486 -1.279 4.148 808 H THR 51 H THR 51 10.885 4.445 -1.380 809 HA THR 51 HA THR 51 8.936 3.063 -3.094 810 HB THR 51 HB THR 51 10.414 5.681 -3.438 811 HG1 THR 51 HG1 THR 51 8.432 6.556 -3.254 812 1HG2 THR 51 1HG2 THR 51 8.980 5.926 -5.511 813 2HG2 THR 51 2HG2 THR 51 8.781 4.174 -5.455 814 3HG2 THR 51 3HG2 THR 51 10.389 4.873 -5.643 815 H PHE 52 H PHE 52 9.616 1.735 -4.699 816 HA PHE 52 HA PHE 52 12.398 0.972 -4.730 817 1HB PHE 52 1HB PHE 52 10.526 -0.683 -4.873 818 2HB PHE 52 2HB PHE 52 10.144 -0.050 -6.470 819 HD1 PHE 52 HD1 PHE 52 12.687 -1.837 -4.490 820 HD2 PHE 52 HD2 PHE 52 11.391 -0.683 -8.374 821 HE1 PHE 52 HE1 PHE 52 14.315 -3.388 -5.490 822 HE2 PHE 52 HE2 PHE 52 13.016 -2.232 -9.382 823 HZ PHE 52 HZ PHE 52 14.480 -3.587 -7.939 824 H THR 53 H THR 53 13.868 1.964 -5.938 825 HA THR 53 HA THR 53 13.035 3.497 -8.273 826 HB THR 53 HB THR 53 15.740 3.257 -6.938 827 HG1 THR 53 HG1 THR 53 13.964 4.335 -5.779 828 1HG2 THR 53 1HG2 THR 53 16.590 4.291 -8.696 829 2HG2 THR 53 2HG2 THR 53 15.566 5.675 -8.304 830 3HG2 THR 53 3HG2 THR 53 14.999 4.451 -9.440 831 H VAL 54 H VAL 54 13.131 2.685 -10.264 832 HA VAL 54 HA VAL 54 14.178 0.086 -10.764 833 HB VAL 54 HB VAL 54 13.473 2.063 -12.917 834 1HG1 VAL 54 1HG1 VAL 54 12.629 -0.117 -13.959 835 2HG1 VAL 54 2HG1 VAL 54 13.557 -0.926 -12.697 836 3HG1 VAL 54 3HG1 VAL 54 14.373 0.123 -13.854 837 1HG2 VAL 54 1HG2 VAL 54 11.642 0.537 -11.096 838 2HG2 VAL 54 2HG2 VAL 54 11.150 0.970 -12.731 839 3HG2 VAL 54 3HG2 VAL 54 11.569 2.231 -11.575 840 H THR 55 H THR 55 15.819 -0.480 -12.301 841 HA THR 55 HA THR 55 17.745 1.560 -13.040 842 HB THR 55 HB THR 55 18.527 -0.777 -11.293 843 HG1 THR 55 HG1 THR 55 18.524 2.004 -10.743 844 1HG2 THR 55 1HG2 THR 55 20.656 0.808 -11.199 845 2HG2 THR 55 2HG2 THR 55 20.115 1.175 -12.838 846 3HG2 THR 55 3HG2 THR 55 20.483 -0.489 -12.381 847 H GLU 56 H GLU 56 17.813 -1.969 -12.709 848 HA GLU 56 HA GLU 56 18.176 -3.643 -14.206 849 1HB GLU 56 1HB GLU 56 17.168 -1.746 -16.325 850 2HB GLU 56 2HB GLU 56 17.126 -3.505 -16.346 851 1HG GLU 56 1HG GLU 56 15.442 -3.573 -14.682 852 2HG GLU 56 2HG GLU 56 15.627 -1.853 -14.332 853 1H MET 1 1H MET 1 5.028 -1.284 7.936 854 2H MET 1 2H MET 1 4.627 0.283 8.506 855 3H MET 1 3H MET 1 6.040 -0.504 9.076 856 HA MET 1 HA MET 1 6.454 1.238 7.441 857 1HB MET 1 1HB MET 1 7.964 -0.688 7.897 858 2HB MET 1 2HB MET 1 7.173 -1.579 6.604 859 1HG MET 1 1HG MET 1 9.116 -0.750 5.634 860 2HG MET 1 2HG MET 1 7.851 0.350 5.086 861 1HE MET 1 1HE MET 1 8.889 3.639 5.929 862 2HE MET 1 2HE MET 1 7.599 2.997 6.946 863 3HE MET 1 3HE MET 1 7.720 2.501 5.259 864 H GLN 2 H GLN 2 5.663 2.252 5.742 865 HA GLN 2 HA GLN 2 3.697 0.928 4.049 866 1HB GLN 2 1HB GLN 2 3.324 3.228 4.986 867 2HB GLN 2 2HB GLN 2 4.621 3.803 3.949 868 1HG GLN 2 1HG GLN 2 3.393 3.306 1.986 869 2HG GLN 2 2HG GLN 2 2.178 2.409 2.896 870 1HE2 GLN 2 1HE2 GLN 2 3.505 5.600 2.283 871 2HE2 GLN 2 2HE2 GLN 2 2.091 6.483 2.740 872 H TYR 3 H TYR 3 4.155 0.089 2.126 873 HA TYR 3 HA TYR 3 6.691 0.866 0.853 874 1HB TYR 3 1HB TYR 3 5.250 -1.752 1.013 875 2HB TYR 3 2HB TYR 3 6.351 -1.433 -0.326 876 HD1 TYR 3 HD1 TYR 3 6.083 -2.027 3.274 877 HD2 TYR 3 HD2 TYR 3 8.743 -1.196 0.060 878 HE1 TYR 3 HE1 TYR 3 7.991 -2.652 4.697 879 HE2 TYR 3 HE2 TYR 3 10.656 -1.819 1.472 880 HH TYR 3 HH TYR 3 11.116 -3.167 3.460 881 H LYS 4 H LYS 4 6.733 1.636 -1.087 882 HA LYS 4 HA LYS 4 4.213 1.832 -2.606 883 1HB LYS 4 1HB LYS 4 6.636 3.604 -2.476 884 2HB LYS 4 2HB LYS 4 5.528 3.693 -3.839 885 1HG LYS 4 1HG LYS 4 3.697 3.974 -2.046 886 2HG LYS 4 2HG LYS 4 5.038 4.364 -0.966 887 1HD LYS 4 1HD LYS 4 5.752 6.082 -2.675 888 2HD LYS 4 2HD LYS 4 4.210 5.793 -3.485 889 1HE LYS 4 1HE LYS 4 3.205 6.243 -1.123 890 2HE LYS 4 2HE LYS 4 4.752 7.028 -0.816 891 1HZ LYS 4 1HZ LYS 4 2.757 7.730 -2.895 892 2HZ LYS 4 2HZ LYS 4 4.320 8.370 -2.860 893 3HZ LYS 4 3HZ LYS 4 3.255 8.674 -1.583 894 H VAL 5 H VAL 5 3.999 0.836 -4.496 895 HA VAL 5 HA VAL 5 6.375 0.110 -6.044 896 HB VAL 5 HB VAL 5 4.218 -1.913 -5.432 897 1HG1 VAL 5 1HG1 VAL 5 6.930 -2.291 -6.691 898 2HG1 VAL 5 2HG1 VAL 5 5.427 -2.126 -7.597 899 3HG1 VAL 5 3HG1 VAL 5 5.655 -3.497 -6.513 900 1HG2 VAL 5 1HG2 VAL 5 5.288 -1.756 -3.384 901 2HG2 VAL 5 2HG2 VAL 5 6.850 -1.383 -4.112 902 3HG2 VAL 5 3HG2 VAL 5 6.209 -3.024 -4.190 903 H ILE 6 H ILE 6 6.097 0.638 -8.112 904 HA ILE 6 HA ILE 6 3.392 1.204 -9.072 905 HB ILE 6 HB ILE 6 6.011 1.832 -10.435 906 1HG1 ILE 6 1HG1 ILE 6 4.321 3.605 -8.655 907 2HG1 ILE 6 2HG1 ILE 6 5.876 2.906 -8.211 908 1HG2 ILE 6 1HG2 ILE 6 4.817 3.144 -11.914 909 2HG2 ILE 6 2HG2 ILE 6 3.434 3.295 -10.830 910 3HG2 ILE 6 3HG2 ILE 6 3.730 1.775 -11.677 911 1HD1 ILE 6 1HD1 ILE 6 5.472 4.796 -10.512 912 2HD1 ILE 6 2HD1 ILE 6 7.004 4.212 -9.864 913 3HD1 ILE 6 3HD1 ILE 6 5.987 5.281 -8.898 914 H LEU 7 H LEU 7 2.357 -0.301 -10.202 915 HA LEU 7 HA LEU 7 3.927 -2.160 -11.867 916 1HB LEU 7 1HB LEU 7 1.585 -2.566 -10.109 917 2HB LEU 7 2HB LEU 7 1.516 -3.392 -11.653 918 HG LEU 7 HG LEU 7 4.032 -4.047 -10.820 919 1HD1 LEU 7 1HD1 LEU 7 2.980 -2.926 -8.563 920 2HD1 LEU 7 2HD1 LEU 7 4.287 -4.107 -8.602 921 3HD1 LEU 7 3HD1 LEU 7 2.629 -4.637 -8.329 922 1HD2 LEU 7 1HD2 LEU 7 1.599 -5.636 -10.037 923 2HD2 LEU 7 2HD2 LEU 7 3.194 -6.237 -10.493 924 3HD2 LEU 7 3HD2 LEU 7 2.149 -5.493 -11.706 925 H ASN 8 H ASN 8 3.687 -1.934 -14.006 926 HA ASN 8 HA ASN 8 1.134 -1.206 -15.141 927 1HB ASN 8 1HB ASN 8 2.051 0.728 -16.409 928 2HB ASN 8 2HB ASN 8 1.992 1.008 -14.671 929 1HD2 ASN 8 1HD2 ASN 8 3.702 1.956 -17.035 930 2HD2 ASN 8 2HD2 ASN 8 5.316 1.833 -16.428 931 H GLY 9 H GLY 9 0.951 -2.778 -16.604 932 1HA GLY 9 1HA GLY 9 3.277 -3.845 -17.957 933 2HA GLY 9 2HA GLY 9 1.619 -4.401 -18.133 934 H LYS 10 H LYS 10 3.662 -1.586 -18.901 935 HA LYS 10 HA LYS 10 2.753 -1.657 -21.643 936 1HB LYS 10 1HB LYS 10 2.077 0.773 -21.579 937 2HB LYS 10 2HB LYS 10 0.971 -0.341 -20.789 938 1HG LYS 10 1HG LYS 10 1.666 0.331 -18.643 939 2HG LYS 10 2HG LYS 10 3.074 1.181 -19.285 940 1HD LYS 10 1HD LYS 10 1.773 2.925 -20.145 941 2HD LYS 10 2HD LYS 10 0.285 1.980 -20.055 942 1HE LYS 10 1HE LYS 10 1.753 2.548 -17.532 943 2HE LYS 10 2HE LYS 10 0.849 3.861 -18.283 944 1HZ LYS 10 1HZ LYS 10 -0.113 1.524 -16.897 945 2HZ LYS 10 2HZ LYS 10 -0.920 1.832 -18.352 946 3HZ LYS 10 3HZ LYS 10 -0.864 3.019 -17.148 947 H THR 11 H THR 11 4.241 -0.849 -23.031 948 HA THR 11 HA THR 11 6.442 0.756 -21.933 949 HB THR 11 HB THR 11 7.102 -1.339 -23.949 950 HG1 THR 11 HG1 THR 11 7.315 -2.889 -22.374 951 1HG2 THR 11 1HG2 THR 11 9.033 -0.262 -23.488 952 2HG2 THR 11 2HG2 THR 11 9.079 -1.450 -22.186 953 3HG2 THR 11 3HG2 THR 11 8.526 0.192 -21.861 954 H LEU 12 H LEU 12 6.253 2.626 -22.995 955 HA LEU 12 HA LEU 12 5.318 2.706 -25.733 956 1HB LEU 12 1HB LEU 12 4.954 4.404 -23.705 957 2HB LEU 12 2HB LEU 12 6.394 5.130 -24.395 958 HG LEU 12 HG LEU 12 4.060 4.523 -26.166 959 1HD1 LEU 12 1HD1 LEU 12 3.106 6.700 -25.701 960 2HD1 LEU 12 2HD1 LEU 12 4.336 7.002 -24.473 961 3HD1 LEU 12 3HD1 LEU 12 3.142 5.726 -24.230 962 1HD2 LEU 12 1HD2 LEU 12 6.210 6.637 -26.165 963 2HD2 LEU 12 2HD2 LEU 12 4.931 6.484 -27.367 964 3HD2 LEU 12 3HD2 LEU 12 6.140 5.213 -27.200 965 H LYS 13 H LYS 13 8.306 3.158 -23.959 966 HA LYS 13 HA LYS 13 9.765 3.096 -26.502 967 1HB LYS 13 1HB LYS 13 10.420 4.977 -24.227 968 2HB LYS 13 2HB LYS 13 11.314 4.816 -25.734 969 1HG LYS 13 1HG LYS 13 9.117 5.472 -26.879 970 2HG LYS 13 2HG LYS 13 8.603 6.003 -25.274 971 1HD LYS 13 1HD LYS 13 10.364 7.590 -25.146 972 2HD LYS 13 2HD LYS 13 11.171 6.912 -26.561 973 1HE LYS 13 1HE LYS 13 10.144 8.810 -27.412 974 2HE LYS 13 2HE LYS 13 8.998 7.530 -27.809 975 1HZ LYS 13 1HZ LYS 13 8.808 9.404 -25.513 976 2HZ LYS 13 2HZ LYS 13 7.731 8.136 -25.818 977 3HZ LYS 13 3HZ LYS 13 7.847 9.425 -26.906 978 H GLY 14 H GLY 14 11.085 1.410 -26.474 979 1HA GLY 14 1HA GLY 14 13.164 0.858 -24.865 980 2HA GLY 14 2HA GLY 14 11.824 0.169 -23.959 981 H GLU 15 H GLU 15 10.277 -0.776 -26.103 982 HA GLU 15 HA GLU 15 10.001 -2.653 -27.357 983 1HB GLU 15 1HB GLU 15 12.860 -2.121 -28.186 984 2HB GLU 15 2HB GLU 15 11.705 -3.135 -29.041 985 1HG GLU 15 1HG GLU 15 11.107 -0.252 -28.530 986 2HG GLU 15 2HG GLU 15 12.144 -0.734 -29.872 987 H THR 16 H THR 16 10.957 -2.926 -24.634 988 HA THR 16 HA THR 16 12.887 -5.045 -24.562 989 HB THR 16 HB THR 16 10.986 -4.256 -22.355 990 HG1 THR 16 HG1 THR 16 13.485 -3.090 -23.015 991 1HG2 THR 16 1HG2 THR 16 12.240 -5.443 -20.963 992 2HG2 THR 16 2HG2 THR 16 13.741 -4.843 -21.665 993 3HG2 THR 16 3HG2 THR 16 12.910 -6.213 -22.401 994 H THR 17 H THR 17 9.371 -4.816 -24.302 995 HA THR 17 HA THR 17 7.711 -6.365 -24.383 996 HB THR 17 HB THR 17 7.894 -8.084 -25.996 997 HG1 THR 17 HG1 THR 17 9.663 -9.186 -26.360 998 1HG2 THR 17 1HG2 THR 17 9.113 -7.114 -27.897 999 2HG2 THR 17 2HG2 THR 17 9.817 -5.919 -26.809 1000 3HG2 THR 17 3HG2 THR 17 8.075 -5.947 -27.080 1001 H THR 18 H THR 18 7.417 -8.977 -24.136 1002 HA THR 18 HA THR 18 7.240 -10.600 -22.549 1003 HB THR 18 HB THR 18 9.530 -11.375 -21.650 1004 HG1 THR 18 HG1 THR 18 11.051 -9.984 -21.983 1005 1HG2 THR 18 1HG2 THR 18 8.878 -11.287 -24.574 1006 2HG2 THR 18 2HG2 THR 18 8.658 -12.615 -23.433 1007 3HG2 THR 18 3HG2 THR 18 10.282 -12.145 -23.939 1008 H GLU 19 H GLU 19 6.783 -7.954 -21.571 1009 HA GLU 19 HA GLU 19 7.599 -8.313 -18.761 1010 1HB GLU 19 1HB GLU 19 7.469 -5.796 -20.406 1011 2HB GLU 19 2HB GLU 19 7.374 -5.749 -18.650 1012 1HG GLU 19 1HG GLU 19 9.552 -6.989 -18.596 1013 2HG GLU 19 2HG GLU 19 9.653 -6.740 -20.338 1014 H ALA 20 H ALA 20 5.958 -8.590 -17.421 1015 HA ALA 20 HA ALA 20 3.260 -7.968 -18.328 1016 1HB ALA 20 1HB ALA 20 4.310 -9.724 -16.138 1017 2HB ALA 20 2HB ALA 20 3.426 -10.191 -17.593 1018 3HB ALA 20 3HB ALA 20 2.597 -9.326 -16.296 1019 H VAL 21 H VAL 21 4.286 -8.005 -15.011 1020 HA VAL 21 HA VAL 21 3.876 -6.562 -13.331 1021 HB VAL 21 HB VAL 21 4.633 -4.437 -15.324 1022 1HG1 VAL 21 1HG1 VAL 21 5.369 -4.467 -12.427 1023 2HG1 VAL 21 2HG1 VAL 21 3.781 -3.893 -12.939 1024 3HG1 VAL 21 3HG1 VAL 21 5.241 -3.102 -13.537 1025 1HG2 VAL 21 1HG2 VAL 21 6.363 -5.957 -15.592 1026 2HG2 VAL 21 2HG2 VAL 21 6.306 -6.474 -13.906 1027 3HG2 VAL 21 3HG2 VAL 21 6.977 -4.898 -14.323 1028 H ASP 22 H ASP 22 1.545 -7.185 -13.741 1029 HA ASP 22 HA ASP 22 -0.085 -4.931 -14.693 1030 1HB ASP 22 1HB ASP 22 -0.411 -7.271 -15.621 1031 2HB ASP 22 2HB ASP 22 -1.054 -7.711 -14.041 1032 H ALA 23 H ALA 23 -1.644 -3.991 -13.511 1033 HA ALA 23 HA ALA 23 -1.302 -3.593 -10.810 1034 1HB ALA 23 1HB ALA 23 -2.933 -2.093 -11.098 1035 2HB ALA 23 2HB ALA 23 -4.073 -3.311 -11.675 1036 3HB ALA 23 3HB ALA 23 -2.906 -2.596 -12.788 1037 H ALA 24 H ALA 24 -3.507 -5.859 -12.417 1038 HA ALA 24 HA ALA 24 -4.751 -6.825 -10.063 1039 1HB ALA 24 1HB ALA 24 -4.567 -7.792 -12.886 1040 2HB ALA 24 2HB ALA 24 -5.976 -7.247 -11.977 1041 3HB ALA 24 3HB ALA 24 -5.266 -8.825 -11.640 1042 H THR 25 H THR 25 -1.805 -7.663 -11.745 1043 HA THR 25 HA THR 25 -1.351 -10.197 -10.617 1044 HB THR 25 HB THR 25 0.537 -8.090 -11.680 1045 HG1 THR 25 HG1 THR 25 0.571 -9.414 -13.472 1046 1HG2 THR 25 1HG2 THR 25 2.163 -9.204 -10.617 1047 2HG2 THR 25 2HG2 THR 25 1.972 -10.317 -11.976 1048 3HG2 THR 25 3HG2 THR 25 1.195 -10.669 -10.431 1049 H PHE 26 H PHE 26 -0.708 -6.952 -9.474 1050 HA PHE 26 HA PHE 26 0.894 -7.698 -7.245 1051 1HB PHE 26 1HB PHE 26 0.726 -5.371 -8.251 1052 2HB PHE 26 2HB PHE 26 -0.815 -5.216 -7.413 1053 HD1 PHE 26 HD1 PHE 26 2.774 -5.976 -6.807 1054 HD2 PHE 26 HD2 PHE 26 -0.871 -4.450 -5.227 1055 HE1 PHE 26 HE1 PHE 26 3.957 -5.272 -4.768 1056 HE2 PHE 26 HE2 PHE 26 0.307 -3.740 -3.187 1057 HZ PHE 26 HZ PHE 26 2.725 -4.151 -2.955 1058 H GLU 27 H GLU 27 -2.554 -6.937 -7.598 1059 HA GLU 27 HA GLU 27 -3.307 -7.196 -4.935 1060 1HB GLU 27 1HB GLU 27 -4.905 -7.847 -7.414 1061 2HB GLU 27 2HB GLU 27 -5.581 -7.634 -5.804 1062 1HG GLU 27 1HG GLU 27 -4.971 -5.333 -5.771 1063 2HG GLU 27 2HG GLU 27 -4.026 -5.504 -7.250 1064 H LYS 28 H LYS 28 -3.384 -9.700 -7.477 1065 HA LYS 28 HA LYS 28 -4.318 -11.748 -5.783 1066 1HB LYS 28 1HB LYS 28 -4.351 -11.652 -8.331 1067 2HB LYS 28 2HB LYS 28 -2.678 -12.188 -8.268 1068 1HG LYS 28 1HG LYS 28 -3.336 -14.225 -7.143 1069 2HG LYS 28 2HG LYS 28 -5.014 -13.678 -7.087 1070 1HD LYS 28 1HD LYS 28 -4.456 -13.454 -9.745 1071 2HD LYS 28 2HD LYS 28 -3.483 -14.856 -9.297 1072 1HE LYS 28 1HE LYS 28 -6.330 -14.667 -8.404 1073 2HE LYS 28 2HE LYS 28 -5.960 -15.168 -10.056 1074 1HZ LYS 28 1HZ LYS 28 -6.032 -17.155 -8.916 1075 2HZ LYS 28 2HZ LYS 28 -5.312 -16.525 -7.521 1076 3HZ LYS 28 3HZ LYS 28 -4.374 -16.816 -8.899 1077 H VAL 29 H VAL 29 -1.000 -11.033 -6.925 1078 HA VAL 29 HA VAL 29 0.228 -13.198 -5.630 1079 HB VAL 29 HB VAL 29 1.436 -10.518 -6.341 1080 1HG1 VAL 29 1HG1 VAL 29 3.584 -11.658 -6.305 1081 2HG1 VAL 29 2HG1 VAL 29 2.800 -13.165 -5.829 1082 3HG1 VAL 29 3HG1 VAL 29 2.801 -11.785 -4.728 1083 1HG2 VAL 29 1HG2 VAL 29 1.733 -11.237 -8.466 1084 2HG2 VAL 29 2HG2 VAL 29 0.310 -12.205 -8.089 1085 3HG2 VAL 29 3HG2 VAL 29 1.916 -12.923 -7.989 1086 H VAL 30 H VAL 30 -0.409 -9.897 -4.524 1087 HA VAL 30 HA VAL 30 1.065 -10.197 -2.103 1088 HB VAL 30 HB VAL 30 -1.050 -8.146 -2.778 1089 1HG1 VAL 30 1HG1 VAL 30 1.057 -8.135 -0.613 1090 2HG1 VAL 30 2HG1 VAL 30 -0.682 -8.312 -0.367 1091 3HG1 VAL 30 3HG1 VAL 30 -0.031 -6.801 -1.003 1092 1HG2 VAL 30 1HG2 VAL 30 1.184 -8.426 -4.154 1093 2HG2 VAL 30 2HG2 VAL 30 1.867 -7.565 -2.775 1094 3HG2 VAL 30 3HG2 VAL 30 0.570 -6.832 -3.716 1095 H LYS 31 H LYS 31 -2.443 -10.387 -2.836 1096 HA LYS 31 HA LYS 31 -3.247 -10.766 -0.173 1097 1HB LYS 31 1HB LYS 31 -4.669 -10.239 -2.253 1098 2HB LYS 31 2HB LYS 31 -4.639 -11.971 -2.558 1099 1HG LYS 31 1HG LYS 31 -5.713 -12.391 -0.427 1100 2HG LYS 31 2HG LYS 31 -5.682 -10.668 -0.051 1101 1HD LYS 31 1HD LYS 31 -7.331 -10.167 -1.581 1102 2HD LYS 31 2HD LYS 31 -6.982 -11.583 -2.576 1103 1HE LYS 31 1HE LYS 31 -7.823 -12.944 -0.565 1104 2HE LYS 31 2HE LYS 31 -8.509 -11.424 0.001 1105 1HZ LYS 31 1HZ LYS 31 -9.434 -11.400 -2.452 1106 2HZ LYS 31 2HZ LYS 31 -10.248 -12.201 -1.205 1107 3HZ LYS 31 3HZ LYS 31 -9.281 -13.077 -2.281 1108 H GLN 32 H GLN 32 -2.433 -13.071 -2.737 1109 HA GLN 32 HA GLN 32 -2.979 -15.401 -1.252 1110 1HB GLN 32 1HB GLN 32 -2.724 -15.346 -3.716 1111 2HB GLN 32 2HB GLN 32 -1.002 -15.049 -3.513 1112 1HG GLN 32 1HG GLN 32 -0.945 -17.289 -3.821 1113 2HG GLN 32 2HG GLN 32 -1.167 -17.262 -2.073 1114 1HE2 GLN 32 1HE2 GLN 32 -3.206 -17.050 -4.975 1115 2HE2 GLN 32 2HE2 GLN 32 -4.392 -18.183 -4.433 1116 H PHE 33 H PHE 33 0.060 -13.581 -1.740 1117 HA PHE 33 HA PHE 33 1.639 -15.355 -0.216 1118 1HB PHE 33 1HB PHE 33 2.875 -14.117 -1.716 1119 2HB PHE 33 2HB PHE 33 1.973 -12.645 -1.412 1120 HD1 PHE 33 HD1 PHE 33 4.117 -14.932 0.652 1121 HD2 PHE 33 HD2 PHE 33 3.234 -10.967 -0.616 1122 HE1 PHE 33 HE1 PHE 33 5.948 -14.072 2.062 1123 HE2 PHE 33 HE2 PHE 33 5.052 -10.102 0.795 1124 HZ PHE 33 HZ PHE 33 6.406 -11.648 2.140 1125 H PHE 34 H PHE 34 0.082 -12.261 0.602 1126 HA PHE 34 HA PHE 34 1.087 -12.334 3.272 1127 1HB PHE 34 1HB PHE 34 -0.754 -10.515 1.787 1128 2HB PHE 34 2HB PHE 34 -0.674 -10.420 3.548 1129 HD1 PHE 34 HD1 PHE 34 1.251 -10.048 0.432 1130 HD2 PHE 34 HD2 PHE 34 1.257 -9.568 4.661 1131 HE1 PHE 34 HE1 PHE 34 3.351 -8.778 0.283 1132 HE2 PHE 34 HE2 PHE 34 3.355 -8.294 4.518 1133 HZ PHE 34 HZ PHE 34 4.414 -7.908 2.328 1134 H ASN 35 H ASN 35 -1.876 -13.455 1.780 1135 HA ASN 35 HA ASN 35 -3.468 -13.688 4.073 1136 1HB ASN 35 1HB ASN 35 -3.394 -15.151 1.463 1137 2HB ASN 35 2HB ASN 35 -4.412 -15.769 2.758 1138 1HD2 ASN 35 1HD2 ASN 35 -3.836 -12.329 2.362 1139 2HD2 ASN 35 2HD2 ASN 35 -5.429 -11.943 1.816 1140 H ASP 36 H ASP 36 -0.802 -15.618 2.962 1141 HA ASP 36 HA ASP 36 -1.198 -17.928 4.503 1142 1HB ASP 36 1HB ASP 36 1.329 -16.672 3.437 1143 2HB ASP 36 2HB ASP 36 1.272 -18.259 4.195 1144 H ASN 37 H ASN 37 -0.298 -14.779 5.484 1145 HA ASN 37 HA ASN 37 0.808 -15.818 8.009 1146 1HB ASN 37 1HB ASN 37 1.801 -13.634 8.376 1147 2HB ASN 37 2HB ASN 37 2.261 -14.241 6.789 1148 1HD2 ASN 37 1HD2 ASN 37 2.130 -12.854 5.204 1149 2HD2 ASN 37 2HD2 ASN 37 1.113 -11.459 5.144 1150 H GLY 38 H GLY 38 -1.923 -14.174 6.678 1151 1HA GLY 38 1HA GLY 38 -3.847 -14.402 8.320 1152 2HA GLY 38 2HA GLY 38 -2.819 -13.490 9.410 1153 H VAL 39 H VAL 39 -2.584 -12.452 6.148 1154 HA VAL 39 HA VAL 39 -4.021 -10.019 6.842 1155 HB VAL 39 HB VAL 39 -2.556 -10.628 4.271 1156 1HG1 VAL 39 1HG1 VAL 39 -3.889 -8.780 3.841 1157 2HG1 VAL 39 2HG1 VAL 39 -2.375 -8.043 4.367 1158 3HG1 VAL 39 3HG1 VAL 39 -3.735 -8.158 5.484 1159 1HG2 VAL 39 1HG2 VAL 39 -0.747 -10.700 5.615 1160 2HG2 VAL 39 2HG2 VAL 39 -1.569 -9.883 6.944 1161 3HG2 VAL 39 3HG2 VAL 39 -0.916 -8.945 5.601 1162 H ASP 40 H ASP 40 -5.831 -9.252 5.786 1163 HA ASP 40 HA ASP 40 -6.966 -10.675 3.555 1164 1HB ASP 40 1HB ASP 40 -8.116 -10.921 6.315 1165 2HB ASP 40 2HB ASP 40 -9.166 -10.996 4.905 1166 H GLY 41 H GLY 41 -9.387 -9.791 3.304 1167 1HA GLY 41 1HA GLY 41 -10.734 -7.755 3.768 1168 2HA GLY 41 2HA GLY 41 -9.223 -6.862 3.677 1169 H GLU 42 H GLU 42 -9.791 -5.535 1.980 1170 HA GLU 42 HA GLU 42 -9.762 -6.808 -0.636 1171 1HB GLU 42 1HB GLU 42 -12.023 -5.086 0.364 1172 2HB GLU 42 2HB GLU 42 -11.697 -5.299 -1.350 1173 1HG GLU 42 1HG GLU 42 -12.064 -7.675 -1.170 1174 2HG GLU 42 2HG GLU 42 -12.270 -7.538 0.576 1175 H TRP 43 H TRP 43 -9.266 -5.346 -2.365 1176 HA TRP 43 HA TRP 43 -7.433 -3.298 -1.570 1177 1HB TRP 43 1HB TRP 43 -8.383 -4.304 -4.245 1178 2HB TRP 43 2HB TRP 43 -7.287 -2.933 -4.099 1179 HD1 TRP 43 HD1 TRP 43 -7.354 -6.681 -4.074 1180 HE1 TRP 43 HE1 TRP 43 -4.977 -7.592 -3.695 1181 HE3 TRP 43 HE3 TRP 43 -5.018 -2.329 -2.762 1182 HZ2 TRP 43 HZ2 TRP 43 -2.445 -6.597 -2.939 1183 HZ3 TRP 43 HZ3 TRP 43 -2.617 -2.394 -2.225 1184 HH2 TRP 43 HH2 TRP 43 -1.359 -4.484 -2.311 1185 H THR 44 H THR 44 -7.976 -1.363 -0.980 1186 HA THR 44 HA THR 44 -10.373 -0.136 -2.160 1187 HB THR 44 HB THR 44 -10.562 1.209 -0.171 1188 HG1 THR 44 HG1 THR 44 -8.773 1.670 0.800 1189 1HG2 THR 44 1HG2 THR 44 -11.451 -1.083 0.009 1190 2HG2 THR 44 2HG2 THR 44 -10.939 -0.408 1.555 1191 3HG2 THR 44 3HG2 THR 44 -9.921 -1.587 0.727 1192 H TYR 45 H TYR 45 -10.269 1.866 -3.015 1193 HA TYR 45 HA TYR 45 -7.760 2.720 -4.064 1194 1HB TYR 45 1HB TYR 45 -10.562 3.784 -4.195 1195 2HB TYR 45 2HB TYR 45 -9.218 4.763 -4.780 1196 HD1 TYR 45 HD1 TYR 45 -11.315 1.853 -5.412 1197 HD2 TYR 45 HD2 TYR 45 -7.892 4.018 -6.715 1198 HE1 TYR 45 HE1 TYR 45 -11.383 0.658 -7.560 1199 HE2 TYR 45 HE2 TYR 45 -7.951 2.830 -8.866 1200 HH TYR 45 HH TYR 45 -9.509 0.076 -9.404 1201 H ASP 46 H ASP 46 -6.545 4.536 -3.592 1202 HA ASP 46 HA ASP 46 -6.554 5.366 -0.863 1203 1HB ASP 46 1HB ASP 46 -4.948 6.135 -3.290 1204 2HB ASP 46 2HB ASP 46 -4.772 7.019 -1.777 1205 H ASP 47 H ASP 47 -6.666 7.610 -0.137 1206 HA ASP 47 HA ASP 47 -9.010 8.913 -1.030 1207 1HB ASP 47 1HB ASP 47 -6.818 10.093 0.686 1208 2HB ASP 47 2HB ASP 47 -8.497 10.615 0.608 1209 H ALA 48 H ALA 48 -9.332 10.431 -2.544 1210 HA ALA 48 HA ALA 48 -7.482 11.041 -4.499 1211 1HB ALA 48 1HB ALA 48 -9.975 12.498 -3.662 1212 2HB ALA 48 2HB ALA 48 -9.790 11.320 -4.958 1213 3HB ALA 48 3HB ALA 48 -9.047 12.912 -5.102 1214 H THR 49 H THR 49 -6.084 12.680 -4.916 1215 HA THR 49 HA THR 49 -5.778 14.830 -2.948 1216 HB THR 49 HB THR 49 -3.376 13.359 -4.014 1217 HG1 THR 49 HG1 THR 49 -3.379 12.114 -2.188 1218 1HG2 THR 49 1HG2 THR 49 -2.868 15.508 -3.073 1219 2HG2 THR 49 2HG2 THR 49 -2.306 14.243 -1.980 1220 3HG2 THR 49 3HG2 THR 49 -3.787 15.127 -1.617 1221 H LYS 50 H LYS 50 -4.566 16.676 -3.765 1222 HA LYS 50 HA LYS 50 -4.442 16.763 -6.708 1223 1HB LYS 50 1HB LYS 50 -5.734 18.660 -4.792 1224 2HB LYS 50 2HB LYS 50 -5.051 19.286 -6.285 1225 1HG LYS 50 1HG LYS 50 -6.472 17.774 -7.574 1226 2HG LYS 50 2HG LYS 50 -7.158 17.146 -6.076 1227 1HD LYS 50 1HD LYS 50 -7.233 20.083 -6.571 1228 2HD LYS 50 2HD LYS 50 -8.372 19.046 -7.431 1229 1HE LYS 50 1HE LYS 50 -8.994 18.075 -5.188 1230 2HE LYS 50 2HE LYS 50 -8.047 19.368 -4.457 1231 1HZ LYS 50 1HZ LYS 50 -10.414 19.908 -4.591 1232 2HZ LYS 50 2HZ LYS 50 -10.359 19.771 -6.276 1233 3HZ LYS 50 3HZ LYS 50 -9.479 20.988 -5.499 1234 H THR 51 H THR 51 -2.525 17.278 -7.470 1235 HA THR 51 HA THR 51 -0.611 18.653 -5.709 1236 HB THR 51 HB THR 51 -0.209 16.747 -8.025 1237 HG1 THR 51 HG1 THR 51 0.525 15.403 -6.497 1238 1HG2 THR 51 1HG2 THR 51 2.236 16.884 -7.395 1239 2HG2 THR 51 2HG2 THR 51 1.845 18.400 -6.585 1240 3HG2 THR 51 3HG2 THR 51 1.588 18.236 -8.321 1241 H PHE 52 H PHE 52 0.268 20.568 -6.305 1242 HA PHE 52 HA PHE 52 -0.892 21.939 -8.560 1243 1HB PHE 52 1HB PHE 52 -0.485 23.049 -6.355 1244 2HB PHE 52 2HB PHE 52 1.244 22.925 -6.662 1245 HD1 PHE 52 HD1 PHE 52 -1.895 24.476 -7.819 1246 HD2 PHE 52 HD2 PHE 52 2.352 24.448 -8.086 1247 HE1 PHE 52 HE1 PHE 52 -1.963 26.611 -9.040 1248 HE2 PHE 52 HE2 PHE 52 2.292 26.583 -9.308 1249 HZ PHE 52 HZ PHE 52 0.133 27.667 -9.786 1250 H THR 53 H THR 53 -0.103 21.791 -10.550 1251 HA THR 53 HA THR 53 2.671 20.988 -10.954 1252 HB THR 53 HB THR 53 0.429 21.405 -12.946 1253 HG1 THR 53 HG1 THR 53 0.290 19.602 -11.404 1254 1HG2 THR 53 1HG2 THR 53 1.947 21.262 -14.545 1255 2HG2 THR 53 2HG2 THR 53 2.316 19.631 -13.981 1256 3HG2 THR 53 3HG2 THR 53 3.238 21.005 -13.370 1257 H VAL 54 H VAL 54 4.236 22.426 -11.309 1258 HA VAL 54 HA VAL 54 3.676 25.211 -11.511 1259 HB VAL 54 HB VAL 54 6.351 23.979 -12.124 1260 1HG1 VAL 54 1HG1 VAL 54 7.071 26.116 -10.921 1261 2HG1 VAL 54 2HG1 VAL 54 5.399 26.641 -11.118 1262 3HG1 VAL 54 3HG1 VAL 54 6.383 26.283 -12.537 1263 1HG2 VAL 54 1HG2 VAL 54 5.002 24.311 -9.465 1264 2HG2 VAL 54 2HG2 VAL 54 6.759 24.358 -9.612 1265 3HG2 VAL 54 3HG2 VAL 54 5.872 22.915 -10.102 1266 H THR 55 H THR 55 4.335 26.640 -13.218 1267 HA THR 55 HA THR 55 4.803 25.493 -15.841 1268 HB THR 55 HB THR 55 2.376 27.206 -15.289 1269 HG1 THR 55 HG1 THR 55 2.557 24.491 -16.087 1270 1HG2 THR 55 1HG2 THR 55 1.916 26.244 -17.721 1271 2HG2 THR 55 2HG2 THR 55 3.674 26.343 -17.796 1272 3HG2 THR 55 3HG2 THR 55 2.725 27.785 -17.442 1273 H GLU 56 H GLU 56 3.613 28.604 -14.626 1274 HA GLU 56 HA GLU 56 4.417 30.725 -14.788 1275 1HB GLU 56 1HB GLU 56 7.152 29.487 -15.101 1276 2HB GLU 56 2HB GLU 56 6.760 31.085 -14.482 1277 1HG GLU 56 1HG GLU 56 5.864 30.194 -12.482 1278 2HG GLU 56 2HG GLU 56 5.892 28.551 -13.126 1279 1H MET 1 1H MET 1 1.182 1.093 -12.162 1280 2H MET 1 2H MET 1 1.025 2.801 -12.252 1281 3H MET 1 3H MET 1 -0.090 1.789 -13.077 1282 HA MET 1 HA MET 1 -0.942 2.778 -11.030 1283 1HB MET 1 1HB MET 1 -1.786 0.681 -12.087 1284 2HB MET 1 2HB MET 1 -0.696 -0.236 -11.056 1285 1HG MET 1 1HG MET 1 -2.763 -0.364 -9.995 1286 2HG MET 1 2HG MET 1 -1.883 0.868 -9.097 1287 1HE MET 1 1HE MET 1 -3.930 3.755 -9.000 1288 2HE MET 1 2HE MET 1 -2.562 3.887 -10.107 1289 3HE MET 1 3HE MET 1 -2.424 2.905 -8.647 1290 H GLN 2 H GLN 2 -0.417 3.469 -9.087 1291 HA GLN 2 HA GLN 2 1.946 2.409 -7.758 1292 1HB GLN 2 1HB GLN 2 1.538 4.874 -7.978 1293 2HB GLN 2 2HB GLN 2 0.168 4.691 -6.891 1294 1HG GLN 2 1HG GLN 2 1.573 4.064 -5.088 1295 2HG GLN 2 2HG GLN 2 2.970 3.901 -6.151 1296 1HE2 GLN 2 1HE2 GLN 2 0.730 6.180 -4.706 1297 2HE2 GLN 2 2HE2 GLN 2 1.764 7.560 -4.822 1298 H TYR 3 H TYR 3 1.867 0.950 -6.176 1299 HA TYR 3 HA TYR 3 -0.720 0.502 -4.852 1300 1HB TYR 3 1HB TYR 3 1.454 -1.378 -5.686 1301 2HB TYR 3 2HB TYR 3 0.375 -1.813 -4.361 1302 HD1 TYR 3 HD1 TYR 3 0.633 -1.240 -7.967 1303 HD2 TYR 3 HD2 TYR 3 -1.984 -2.244 -4.767 1304 HE1 TYR 3 HE1 TYR 3 -1.050 -2.003 -9.590 1305 HE2 TYR 3 HE2 TYR 3 -3.674 -3.011 -6.379 1306 HH TYR 3 HH TYR 3 -3.796 -3.802 -8.681 1307 H LYS 4 H LYS 4 -0.909 0.627 -2.776 1308 HA LYS 4 HA LYS 4 1.491 1.162 -1.149 1309 1HB LYS 4 1HB LYS 4 -1.370 2.038 -0.880 1310 2HB LYS 4 2HB LYS 4 -0.285 2.074 0.503 1311 1HG LYS 4 1HG LYS 4 1.278 3.426 -1.032 1312 2HG LYS 4 2HG LYS 4 -0.159 3.662 -2.028 1313 1HD LYS 4 1HD LYS 4 -1.317 4.499 0.054 1314 2HD LYS 4 2HD LYS 4 0.266 4.493 0.836 1315 1HE LYS 4 1HE LYS 4 0.979 5.892 -1.250 1316 2HE LYS 4 2HE LYS 4 -0.748 6.211 -1.389 1317 1HZ LYS 4 1HZ LYS 4 1.031 6.869 0.890 1318 2HZ LYS 4 2HZ LYS 4 -0.656 6.959 0.981 1319 3HZ LYS 4 3HZ LYS 4 0.184 7.945 -0.106 1320 H VAL 5 H VAL 5 2.095 -0.216 0.385 1321 HA VAL 5 HA VAL 5 0.139 -2.061 1.546 1322 HB VAL 5 HB VAL 5 2.791 -3.039 0.481 1323 1HG1 VAL 5 1HG1 VAL 5 0.403 -4.600 1.454 1324 2HG1 VAL 5 2HG1 VAL 5 1.815 -4.228 2.444 1325 3HG1 VAL 5 3HG1 VAL 5 1.987 -5.234 1.005 1326 1HG2 VAL 5 1HG2 VAL 5 1.629 -2.655 -1.482 1327 2HG2 VAL 5 2HG2 VAL 5 0.064 -3.011 -0.747 1328 3HG2 VAL 5 3HG2 VAL 5 1.187 -4.322 -1.111 1329 H ILE 6 H ILE 6 0.335 -2.086 3.689 1330 HA ILE 6 HA ILE 6 2.767 -0.998 4.892 1331 HB ILE 6 HB ILE 6 0.160 -1.646 6.266 1332 1HG1 ILE 6 1HG1 ILE 6 1.107 1.001 5.144 1333 2HG1 ILE 6 2HG1 ILE 6 -0.166 0.002 4.449 1334 1HG2 ILE 6 1HG2 ILE 6 0.956 -0.491 8.105 1335 2HG2 ILE 6 2HG2 ILE 6 2.173 0.375 7.165 1336 3HG2 ILE 6 3HG2 ILE 6 2.398 -1.335 7.538 1337 1HD1 ILE 6 1HD1 ILE 6 -0.262 1.182 7.213 1338 2HD1 ILE 6 2HD1 ILE 6 -1.561 0.352 6.359 1339 3HD1 ILE 6 3HD1 ILE 6 -0.988 1.918 5.784 1340 H LEU 7 H LEU 7 4.281 -2.352 5.589 1341 HA LEU 7 HA LEU 7 3.460 -5.007 6.580 1342 1HB LEU 7 1HB LEU 7 5.719 -4.135 4.882 1343 2HB LEU 7 2HB LEU 7 6.124 -5.298 6.132 1344 HG LEU 7 HG LEU 7 3.904 -6.450 5.039 1345 1HD1 LEU 7 1HD1 LEU 7 4.436 -4.466 3.240 1346 2HD1 LEU 7 2HD1 LEU 7 3.572 -5.961 2.884 1347 3HD1 LEU 7 3HD1 LEU 7 5.297 -5.839 2.546 1348 1HD2 LEU 7 1HD2 LEU 7 6.669 -6.903 3.938 1349 2HD2 LEU 7 2HD2 LEU 7 5.372 -8.080 4.148 1350 3HD2 LEU 7 3HD2 LEU 7 6.194 -7.411 5.558 1351 H ASN 8 H ASN 8 3.723 -5.331 8.700 1352 HA ASN 8 HA ASN 8 5.973 -4.188 10.102 1353 1HB ASN 8 1HB ASN 8 4.556 -3.112 11.845 1354 2HB ASN 8 2HB ASN 8 4.436 -2.330 10.270 1355 1HD2 ASN 8 1HD2 ASN 8 2.635 -2.712 12.724 1356 2HD2 ASN 8 2HD2 ASN 8 1.114 -3.154 12.033 1357 H GLY 9 H GLY 9 6.728 -5.996 10.999 1358 1HA GLY 9 1HA GLY 9 4.861 -7.589 12.633 1359 2HA GLY 9 2HA GLY 9 5.965 -8.383 11.523 1360 H LYS 10 H LYS 10 6.361 -5.704 13.839 1361 HA LYS 10 HA LYS 10 8.853 -6.871 14.750 1362 1HB LYS 10 1HB LYS 10 7.428 -4.285 15.347 1363 2HB LYS 10 2HB LYS 10 8.863 -4.784 16.233 1364 1HG LYS 10 1HG LYS 10 9.739 -5.079 13.702 1365 2HG LYS 10 2HG LYS 10 8.592 -3.756 13.493 1366 1HD LYS 10 1HD LYS 10 10.504 -3.619 15.768 1367 2HD LYS 10 2HD LYS 10 11.117 -3.313 14.142 1368 1HE LYS 10 1HE LYS 10 9.691 -1.472 13.835 1369 2HE LYS 10 2HE LYS 10 8.673 -1.928 15.200 1370 1HZ LYS 10 1HZ LYS 10 10.306 -1.249 16.721 1371 2HZ LYS 10 2HZ LYS 10 10.256 -0.018 15.563 1372 3HZ LYS 10 3HZ LYS 10 11.510 -1.151 15.537 1373 H THR 11 H THR 11 7.850 -8.791 15.677 1374 HA THR 11 HA THR 11 6.129 -8.503 17.963 1375 HB THR 11 HB THR 11 6.195 -10.897 18.112 1376 HG1 THR 11 HG1 THR 11 8.458 -10.675 16.434 1377 1HG2 THR 11 1HG2 THR 11 5.131 -9.747 16.011 1378 2HG2 THR 11 2HG2 THR 11 5.240 -11.504 16.137 1379 3HG2 THR 11 3HG2 THR 11 6.414 -10.613 15.167 1380 H LEU 12 H LEU 12 6.663 -8.519 20.080 1381 HA LEU 12 HA LEU 12 9.449 -9.069 20.819 1382 1HB LEU 12 1HB LEU 12 7.861 -6.597 21.456 1383 2HB LEU 12 2HB LEU 12 9.227 -7.093 22.435 1384 HG LEU 12 HG LEU 12 9.555 -6.732 19.479 1385 1HD1 LEU 12 1HD1 LEU 12 9.746 -4.467 19.584 1386 2HD1 LEU 12 2HD1 LEU 12 10.174 -4.469 21.295 1387 3HD1 LEU 12 3HD1 LEU 12 8.495 -4.702 20.805 1388 1HD2 LEU 12 1HD2 LEU 12 11.464 -6.287 21.765 1389 2HD2 LEU 12 2HD2 LEU 12 11.843 -6.364 20.044 1390 3HD2 LEU 12 3HD2 LEU 12 11.309 -7.813 20.895 1391 H LYS 13 H LYS 13 9.720 -10.089 22.746 1392 HA LYS 13 HA LYS 13 9.195 -11.325 24.582 1393 1HB LYS 13 1HB LYS 13 7.296 -9.021 24.789 1394 2HB LYS 13 2HB LYS 13 7.151 -10.361 25.918 1395 1HG LYS 13 1HG LYS 13 8.538 -9.019 27.110 1396 2HG LYS 13 2HG LYS 13 9.741 -9.942 26.205 1397 1HD LYS 13 1HD LYS 13 10.276 -8.175 24.851 1398 2HD LYS 13 2HD LYS 13 8.670 -7.452 24.978 1399 1HE LYS 13 1HE LYS 13 9.734 -5.980 26.314 1400 2HE LYS 13 2HE LYS 13 9.491 -7.231 27.532 1401 1HZ LYS 13 1HZ LYS 13 11.936 -6.379 26.209 1402 2HZ LYS 13 2HZ LYS 13 11.781 -8.041 26.478 1403 3HZ LYS 13 3HZ LYS 13 11.701 -6.964 27.779 1404 H GLY 14 H GLY 14 8.629 -13.179 23.389 1405 1HA GLY 14 1HA GLY 14 7.253 -14.916 22.789 1406 2HA GLY 14 2HA GLY 14 6.085 -14.238 23.913 1407 H GLU 15 H GLU 15 4.986 -15.410 21.834 1408 HA GLU 15 HA GLU 15 3.792 -13.206 20.394 1409 1HB GLU 15 1HB GLU 15 4.127 -14.396 18.174 1410 2HB GLU 15 2HB GLU 15 5.538 -13.595 18.849 1411 1HG GLU 15 1HG GLU 15 6.040 -15.943 19.860 1412 2HG GLU 15 2HG GLU 15 4.959 -16.503 18.586 1413 H THR 16 H THR 16 2.183 -14.304 18.666 1414 HA THR 16 HA THR 16 0.708 -16.352 20.184 1415 HB THR 16 HB THR 16 -0.373 -14.298 18.244 1416 HG1 THR 16 HG1 THR 16 -0.574 -14.415 21.069 1417 1HG2 THR 16 1HG2 THR 16 -2.385 -15.221 18.380 1418 2HG2 THR 16 2HG2 THR 16 -2.238 -15.491 20.116 1419 3HG2 THR 16 3HG2 THR 16 -1.562 -16.659 18.982 1420 H THR 17 H THR 17 0.725 -15.185 16.812 1421 HA THR 17 HA THR 17 0.785 -18.001 15.945 1422 HB THR 17 HB THR 17 -0.173 -16.937 13.767 1423 HG1 THR 17 HG1 THR 17 -0.908 -14.967 13.909 1424 1HG2 THR 17 1HG2 THR 17 -1.926 -17.034 16.209 1425 2HG2 THR 17 2HG2 THR 17 -1.469 -18.425 15.227 1426 3HG2 THR 17 3HG2 THR 17 -2.447 -17.136 14.527 1427 H THR 18 H THR 18 1.516 -17.964 13.443 1428 HA THR 18 HA THR 18 4.204 -16.792 13.498 1429 HB THR 18 HB THR 18 4.524 -18.432 11.522 1430 HG1 THR 18 HG1 THR 18 2.701 -19.328 10.988 1431 1HG2 THR 18 1HG2 THR 18 5.525 -18.868 13.684 1432 2HG2 THR 18 2HG2 THR 18 4.886 -20.352 12.980 1433 3HG2 THR 18 3HG2 THR 18 4.004 -19.538 14.270 1434 H GLU 19 H GLU 19 4.590 -15.040 12.329 1435 HA GLU 19 HA GLU 19 3.149 -14.668 9.797 1436 1HB GLU 19 1HB GLU 19 3.631 -12.476 11.822 1437 2HB GLU 19 2HB GLU 19 2.826 -12.302 10.269 1438 1HG GLU 19 1HG GLU 19 0.980 -13.622 10.995 1439 2HG GLU 19 2HG GLU 19 1.819 -14.076 12.479 1440 H ALA 20 H ALA 20 4.206 -13.040 8.377 1441 HA ALA 20 HA ALA 20 7.078 -12.729 8.895 1442 1HB ALA 20 1HB ALA 20 7.333 -13.281 6.356 1443 2HB ALA 20 2HB ALA 20 5.811 -14.145 6.592 1444 3HB ALA 20 3HB ALA 20 7.232 -14.585 7.541 1445 H VAL 21 H VAL 21 4.756 -10.889 8.909 1446 HA VAL 21 HA VAL 21 4.946 -9.264 6.559 1447 HB VAL 21 HB VAL 21 3.781 -8.377 9.193 1448 1HG1 VAL 21 1HG1 VAL 21 2.781 -7.703 6.454 1449 2HG1 VAL 21 2HG1 VAL 21 4.146 -6.831 7.155 1450 3HG1 VAL 21 3HG1 VAL 21 2.579 -6.816 7.967 1451 1HG2 VAL 21 1HG2 VAL 21 2.589 -10.333 8.956 1452 2HG2 VAL 21 2HG2 VAL 21 2.710 -10.320 7.197 1453 3HG2 VAL 21 3HG2 VAL 21 1.596 -9.223 8.012 1454 H ASP 22 H ASP 22 7.431 -9.324 6.960 1455 HA ASP 22 HA ASP 22 8.263 -7.069 8.657 1456 1HB ASP 22 1HB ASP 22 9.370 -9.338 8.898 1457 2HB ASP 22 2HB ASP 22 10.054 -9.080 7.295 1458 H ALA 23 H ALA 23 9.403 -5.375 7.885 1459 HA ALA 23 HA ALA 23 8.826 -4.342 5.402 1460 1HB ALA 23 1HB ALA 23 9.921 -2.559 6.188 1461 2HB ALA 23 2HB ALA 23 11.410 -3.473 6.442 1462 3HB ALA 23 3HB ALA 23 10.128 -3.514 7.658 1463 H ALA 24 H ALA 24 11.701 -6.170 6.386 1464 HA ALA 24 HA ALA 24 13.067 -5.981 3.910 1465 1HB ALA 24 1HB ALA 24 13.335 -7.719 6.327 1466 2HB ALA 24 2HB ALA 24 14.456 -6.523 5.677 1467 3HB ALA 24 3HB ALA 24 14.260 -8.079 4.869 1468 H THR 25 H THR 25 10.617 -8.141 5.153 1469 HA THR 25 HA THR 25 10.924 -10.258 3.327 1470 HB THR 25 HB THR 25 8.522 -9.245 4.861 1471 HG1 THR 25 HG1 THR 25 8.995 -10.964 6.200 1472 1HG2 THR 25 1HG2 THR 25 7.285 -10.465 3.442 1473 2HG2 THR 25 2HG2 THR 25 7.870 -11.793 4.447 1474 3HG2 THR 25 3HG2 THR 25 8.655 -11.442 2.905 1475 H PHE 26 H PHE 26 9.240 -7.196 3.133 1476 HA PHE 26 HA PHE 26 7.847 -7.738 0.714 1477 1HB PHE 26 1HB PHE 26 7.332 -5.864 2.353 1478 2HB PHE 26 2HB PHE 26 8.700 -5.000 1.653 1479 HD1 PHE 26 HD1 PHE 26 5.513 -6.665 0.704 1480 HD2 PHE 26 HD2 PHE 26 8.385 -3.660 -0.205 1481 HE1 PHE 26 HE1 PHE 26 4.061 -5.828 -1.097 1482 HE2 PHE 26 HE2 PHE 26 6.937 -2.816 -2.007 1483 HZ PHE 26 HZ PHE 26 4.772 -3.901 -2.454 1484 H GLU 27 H GLU 27 10.894 -6.064 1.424 1485 HA GLU 27 HA GLU 27 11.564 -5.308 -1.162 1486 1HB GLU 27 1HB GLU 27 13.398 -6.102 1.100 1487 2HB GLU 27 2HB GLU 27 13.902 -5.248 -0.352 1488 1HG GLU 27 1HG GLU 27 12.611 -3.336 0.233 1489 2HG GLU 27 2HG GLU 27 11.831 -4.199 1.559 1490 H LYS 28 H LYS 28 12.539 -8.277 0.557 1491 HA LYS 28 HA LYS 28 13.986 -9.353 -1.610 1492 1HB LYS 28 1HB LYS 28 14.115 -9.981 0.861 1493 2HB LYS 28 2HB LYS 28 12.701 -10.983 0.568 1494 1HG LYS 28 1HG LYS 28 13.922 -12.283 -1.070 1495 2HG LYS 28 2HG LYS 28 15.332 -11.240 -0.874 1496 1HD LYS 28 1HD LYS 28 14.852 -11.992 1.700 1497 2HD LYS 28 2HD LYS 28 14.351 -13.434 0.815 1498 1HE LYS 28 1HE LYS 28 16.949 -12.114 0.156 1499 2HE LYS 28 2HE LYS 28 16.833 -13.153 1.576 1500 1HZ LYS 28 1HZ LYS 28 17.478 -14.602 -0.079 1501 2HZ LYS 28 2HZ LYS 28 16.524 -13.865 -1.265 1502 3HZ LYS 28 3HZ LYS 28 15.800 -14.818 -0.071 1503 H VAL 29 H VAL 29 10.674 -10.074 -0.456 1504 HA VAL 29 HA VAL 29 10.126 -12.054 -2.368 1505 HB VAL 29 HB VAL 29 8.175 -10.215 -0.972 1506 1HG1 VAL 29 1HG1 VAL 29 6.492 -11.899 -1.433 1507 2HG1 VAL 29 2HG1 VAL 29 7.683 -12.897 -2.268 1508 3HG1 VAL 29 3HG1 VAL 29 7.208 -11.339 -2.946 1509 1HG2 VAL 29 1HG2 VAL 29 8.235 -11.561 0.845 1510 2HG2 VAL 29 2HG2 VAL 29 9.865 -11.890 0.261 1511 3HG2 VAL 29 3HG2 VAL 29 8.554 -13.012 -0.104 1512 H VAL 30 H VAL 30 9.637 -8.551 -2.454 1513 HA VAL 30 HA VAL 30 8.215 -8.596 -4.922 1514 HB VAL 30 HB VAL 30 9.615 -6.267 -3.599 1515 1HG1 VAL 30 1HG1 VAL 30 7.502 -6.296 -5.757 1516 2HG1 VAL 30 2HG1 VAL 30 9.196 -5.853 -5.973 1517 3HG1 VAL 30 3HG1 VAL 30 8.147 -4.860 -4.961 1518 1HG2 VAL 30 1HG2 VAL 30 7.647 -7.612 -2.463 1519 2HG2 VAL 30 2HG2 VAL 30 6.666 -6.645 -3.565 1520 3HG2 VAL 30 3HG2 VAL 30 7.717 -5.850 -2.392 1521 H LYS 31 H LYS 31 11.635 -7.873 -4.118 1522 HA LYS 31 HA LYS 31 12.387 -7.210 -6.739 1523 1HB LYS 31 1HB LYS 31 13.675 -6.870 -4.542 1524 2HB LYS 31 2HB LYS 31 14.200 -8.538 -4.731 1525 1HG LYS 31 1HG LYS 31 15.250 -7.997 -6.848 1526 2HG LYS 31 2HG LYS 31 14.666 -6.335 -6.732 1527 1HD LYS 31 1HD LYS 31 16.144 -5.797 -5.041 1528 2HD LYS 31 2HD LYS 31 16.315 -7.474 -4.516 1529 1HE LYS 31 1HE LYS 31 17.432 -7.850 -6.804 1530 2HE LYS 31 2HE LYS 31 17.574 -6.093 -6.864 1531 1HZ LYS 31 1HZ LYS 31 18.581 -6.486 -4.483 1532 2HZ LYS 31 2HZ LYS 31 19.534 -6.619 -5.874 1533 3HZ LYS 31 3HZ LYS 31 18.935 -8.011 -5.124 1534 H GLN 32 H GLN 32 12.460 -10.285 -4.979 1535 HA GLN 32 HA GLN 32 13.639 -11.798 -7.042 1536 1HB GLN 32 1HB GLN 32 13.499 -12.530 -4.679 1537 2HB GLN 32 2HB GLN 32 11.764 -12.747 -4.869 1538 1HG GLN 32 1HG GLN 32 12.428 -14.881 -5.218 1539 2HG GLN 32 2HG GLN 32 12.551 -14.286 -6.872 1540 1HE2 GLN 32 1HE2 GLN 32 14.547 -14.281 -3.934 1541 2HE2 GLN 32 2HE2 GLN 32 16.005 -14.779 -4.718 1542 H PHE 33 H PHE 33 10.211 -11.239 -6.195 1543 HA PHE 33 HA PHE 33 9.197 -12.907 -8.233 1544 1HB PHE 33 1HB PHE 33 7.710 -12.604 -6.499 1545 2HB PHE 33 2HB PHE 33 8.092 -10.901 -6.325 1546 HD1 PHE 33 HD1 PHE 33 6.669 -13.052 -9.053 1547 HD2 PHE 33 HD2 PHE 33 6.332 -9.550 -6.660 1548 HE1 PHE 33 HE1 PHE 33 4.594 -12.443 -10.236 1549 HE2 PHE 33 HE2 PHE 33 4.266 -8.932 -7.841 1550 HZ PHE 33 HZ PHE 33 3.399 -10.369 -9.632 1551 H PHE 34 H PHE 34 9.661 -9.381 -8.061 1552 HA PHE 34 HA PHE 34 8.601 -9.000 -10.681 1553 1HB PHE 34 1HB PHE 34 9.851 -7.201 -8.657 1554 2HB PHE 34 2HB PHE 34 9.658 -6.636 -10.318 1555 HD1 PHE 34 HD1 PHE 34 7.874 -7.788 -7.312 1556 HD2 PHE 34 HD2 PHE 34 7.500 -6.164 -11.227 1557 HE1 PHE 34 HE1 PHE 34 5.492 -7.341 -6.896 1558 HE2 PHE 34 HE2 PHE 34 5.119 -5.712 -10.817 1559 HZ PHE 34 HZ PHE 34 4.107 -6.312 -8.653 1560 H ASN 35 H ASN 35 11.835 -9.514 -9.443 1561 HA ASN 35 HA ASN 35 13.307 -8.569 -11.630 1562 1HB ASN 35 1HB ASN 35 13.821 -10.660 -9.553 1563 2HB ASN 35 2HB ASN 35 14.918 -10.533 -10.922 1564 1HD2 ASN 35 1HD2 ASN 35 13.310 -7.711 -9.590 1565 2HD2 ASN 35 2HD2 ASN 35 14.727 -7.015 -8.885 1566 H ASP 36 H ASP 36 11.438 -11.473 -11.242 1567 HA ASP 36 HA ASP 36 12.466 -12.998 -13.361 1568 1HB ASP 36 1HB ASP 36 9.732 -12.962 -12.086 1569 2HB ASP 36 2HB ASP 36 10.236 -14.157 -13.278 1570 H ASN 37 H ASN 37 10.577 -10.150 -13.439 1571 HA ASN 37 HA ASN 37 9.730 -10.716 -16.205 1572 1HB ASN 37 1HB ASN 37 8.086 -8.946 -15.976 1573 2HB ASN 37 2HB ASN 37 7.917 -10.097 -14.654 1574 1HD2 ASN 37 1HD2 ASN 37 7.679 -9.258 -12.732 1575 2HD2 ASN 37 2HD2 ASN 37 8.210 -7.693 -12.225 1576 H GLY 38 H GLY 38 11.866 -8.744 -14.336 1577 1HA GLY 38 1HA GLY 38 13.680 -7.876 -15.891 1578 2HA GLY 38 2HA GLY 38 12.364 -7.062 -16.714 1579 H VAL 39 H VAL 39 11.981 -7.133 -13.307 1580 HA VAL 39 HA VAL 39 12.549 -4.280 -13.205 1581 HB VAL 39 HB VAL 39 11.480 -6.031 -10.988 1582 1HG1 VAL 39 1HG1 VAL 39 12.199 -4.057 -9.992 1583 2HG1 VAL 39 2HG1 VAL 39 10.497 -3.731 -10.326 1584 3HG1 VAL 39 3HG1 VAL 39 11.746 -3.074 -11.384 1585 1HG2 VAL 39 1HG2 VAL 39 9.719 -6.277 -12.375 1586 2HG2 VAL 39 2HG2 VAL 39 10.175 -4.896 -13.371 1587 3HG2 VAL 39 3HG2 VAL 39 9.330 -4.642 -11.844 1588 H ASP 40 H ASP 40 14.081 -3.320 -11.894 1589 HA ASP 40 HA ASP 40 15.718 -4.895 -10.120 1590 1HB ASP 40 1HB ASP 40 16.744 -3.954 -12.782 1591 2HB ASP 40 2HB ASP 40 17.834 -4.108 -11.409 1592 H GLY 41 H GLY 41 17.749 -3.402 -9.519 1593 1HA GLY 41 1HA GLY 41 18.364 -1.002 -9.316 1594 2HA GLY 41 2HA GLY 41 16.655 -0.695 -9.043 1595 H GLU 42 H GLU 42 16.861 0.202 -7.010 1596 HA GLU 42 HA GLU 42 17.359 -1.710 -4.875 1597 1HB GLU 42 1HB GLU 42 18.916 0.843 -5.236 1598 2HB GLU 42 2HB GLU 42 18.756 0.060 -3.672 1599 1HG GLU 42 1HG GLU 42 19.847 -1.920 -4.497 1600 2HG GLU 42 2HG GLU 42 19.899 -1.250 -6.128 1601 H TRP 43 H TRP 43 16.514 -1.038 -2.824 1602 HA TRP 43 HA TRP 43 14.097 0.472 -3.077 1603 1HB TRP 43 1HB TRP 43 15.442 -0.906 -0.764 1604 2HB TRP 43 2HB TRP 43 13.967 0.032 -0.561 1605 HD1 TRP 43 HD1 TRP 43 15.203 -3.335 -1.656 1606 HE1 TRP 43 HE1 TRP 43 13.214 -4.798 -2.384 1607 HE3 TRP 43 HE3 TRP 43 11.557 0.248 -1.767 1608 HZ2 TRP 43 HZ2 TRP 43 10.463 -4.475 -2.934 1609 HZ3 TRP 43 HZ3 TRP 43 9.275 -0.411 -2.405 1610 HH2 TRP 43 HH2 TRP 43 8.740 -2.723 -2.977 1611 H THR 44 H THR 44 13.973 2.560 -3.057 1612 HA THR 44 HA THR 44 15.921 4.090 -1.474 1613 HB THR 44 HB THR 44 15.577 5.934 -2.984 1614 HG1 THR 44 HG1 THR 44 13.698 6.071 -3.876 1615 1HG2 THR 44 1HG2 THR 44 17.127 4.181 -3.774 1616 2HG2 THR 44 2HG2 THR 44 16.358 5.084 -5.080 1617 3HG2 THR 44 3HG2 THR 44 15.795 3.461 -4.679 1618 H TYR 45 H TYR 45 15.233 5.624 -0.086 1619 HA TYR 45 HA TYR 45 12.636 5.312 1.045 1620 1HB TYR 45 1HB TYR 45 14.963 7.117 1.609 1621 2HB TYR 45 2HB TYR 45 13.410 7.412 2.383 1622 HD1 TYR 45 HD1 TYR 45 16.340 5.254 2.249 1623 HD2 TYR 45 HD2 TYR 45 12.481 5.771 3.963 1624 HE1 TYR 45 HE1 TYR 45 16.883 3.577 3.964 1625 HE2 TYR 45 HE2 TYR 45 13.013 4.097 5.683 1626 HH TYR 45 HH TYR 45 15.357 1.932 5.479 1627 H ASP 46 H ASP 46 10.893 6.715 1.059 1628 HA ASP 46 HA ASP 46 10.511 8.248 -1.314 1629 1HB ASP 46 1HB ASP 46 8.861 7.752 1.151 1630 2HB ASP 46 2HB ASP 46 8.346 8.922 -0.058 1631 H ASP 47 H ASP 47 9.883 10.519 -1.371 1632 HA ASP 47 HA ASP 47 11.733 12.184 -0.031 1633 1HB ASP 47 1HB ASP 47 9.200 13.049 -1.439 1634 2HB ASP 47 2HB ASP 47 10.631 14.029 -1.139 1635 H ALA 48 H ALA 48 11.626 13.226 1.863 1636 HA ALA 48 HA ALA 48 9.767 12.626 3.815 1637 1HB ALA 48 1HB ALA 48 11.639 14.967 3.559 1638 2HB ALA 48 2HB ALA 48 11.890 13.464 4.451 1639 3HB ALA 48 3HB ALA 48 10.692 14.633 5.011 1640 H THR 49 H THR 49 7.960 13.556 4.630 1641 HA THR 49 HA THR 49 6.899 15.970 3.353 1642 HB THR 49 HB THR 49 5.138 13.578 3.848 1643 HG1 THR 49 HG1 THR 49 5.450 12.947 1.768 1644 1HG2 THR 49 1HG2 THR 49 3.936 15.634 3.549 1645 2HG2 THR 49 2HG2 THR 49 3.733 14.620 2.121 1646 3HG2 THR 49 3HG2 THR 49 4.843 15.991 2.079 1647 H LYS 50 H LYS 50 5.216 17.026 4.615 1648 HA LYS 50 HA LYS 50 5.225 16.224 7.452 1649 1HB LYS 50 1HB LYS 50 5.747 18.896 6.213 1650 2HB LYS 50 2HB LYS 50 4.983 18.819 7.796 1651 1HG LYS 50 1HG LYS 50 6.879 17.531 8.648 1652 2HG LYS 50 2HG LYS 50 7.645 17.622 7.062 1653 1HD LYS 50 1HD LYS 50 6.805 20.152 8.394 1654 2HD LYS 50 2HD LYS 50 8.259 19.329 8.970 1655 1HE LYS 50 1HE LYS 50 9.048 19.304 6.577 1656 2HE LYS 50 2HE LYS 50 7.696 20.369 6.199 1657 1HZ LYS 50 1HZ LYS 50 9.760 21.588 6.596 1658 2HZ LYS 50 2HZ LYS 50 9.837 20.968 8.166 1659 3HZ LYS 50 3HZ LYS 50 8.571 21.998 7.727 1660 H THR 51 H THR 51 3.284 15.875 8.251 1661 HA THR 51 HA THR 51 0.950 17.015 6.871 1662 HB THR 51 HB THR 51 1.280 14.499 8.521 1663 HG1 THR 51 HG1 THR 51 0.907 13.492 6.632 1664 1HG2 THR 51 1HG2 THR 51 -1.111 14.039 7.831 1665 2HG2 THR 51 2HG2 THR 51 -1.253 15.770 7.529 1666 3HG2 THR 51 3HG2 THR 51 -0.877 15.186 9.150 1667 H PHE 52 H PHE 52 -0.455 18.305 7.950 1668 HA PHE 52 HA PHE 52 0.324 19.272 10.555 1669 1HB PHE 52 1HB PHE 52 -0.523 20.771 8.739 1670 2HB PHE 52 2HB PHE 52 -2.106 20.024 8.919 1671 HD1 PHE 52 HD1 PHE 52 0.432 22.097 10.606 1672 HD2 PHE 52 HD2 PHE 52 -3.569 20.648 10.666 1673 HE1 PHE 52 HE1 PHE 52 -0.121 23.708 12.382 1674 HE2 PHE 52 HE2 PHE 52 -4.130 22.257 12.442 1675 HZ PHE 52 HZ PHE 52 -2.404 23.790 13.301 1676 H THR 53 H THR 53 -0.286 18.320 12.381 1677 HA THR 53 HA THR 53 -2.645 16.606 12.409 1678 HB THR 53 HB THR 53 -0.550 17.117 14.534 1679 HG1 THR 53 HG1 THR 53 0.063 15.964 12.547 1680 1HG2 THR 53 1HG2 THR 53 -1.850 16.048 15.962 1681 2HG2 THR 53 2HG2 THR 53 -1.750 14.624 14.923 1682 3HG2 THR 53 3HG2 THR 53 -3.071 15.776 14.718 1683 H VAL 54 H VAL 54 -4.562 17.319 13.085 1684 HA VAL 54 HA VAL 54 -4.897 19.959 14.100 1685 HB VAL 54 HB VAL 54 -7.015 17.826 14.223 1686 1HG1 VAL 54 1HG1 VAL 54 -8.434 19.864 13.647 1687 2HG1 VAL 54 2HG1 VAL 54 -7.006 20.821 14.036 1688 3HG1 VAL 54 3HG1 VAL 54 -7.740 19.794 15.266 1689 1HG2 VAL 54 1HG2 VAL 54 -5.961 19.283 11.823 1690 2HG2 VAL 54 2HG2 VAL 54 -7.643 18.760 11.901 1691 3HG2 VAL 54 3HG2 VAL 54 -6.346 17.572 12.006 1692 H THR 55 H THR 55 -5.872 20.561 16.112 1693 HA THR 55 HA THR 55 -5.831 18.625 18.273 1694 HB THR 55 HB THR 55 -4.092 21.096 18.346 1695 HG1 THR 55 HG1 THR 55 -3.377 18.353 18.320 1696 1HG2 THR 55 1HG2 THR 55 -3.231 19.687 20.417 1697 2HG2 THR 55 2HG2 THR 55 -4.919 19.175 20.435 1698 3HG2 THR 55 3HG2 THR 55 -4.515 20.888 20.557 1699 H GLU 56 H GLU 56 -5.746 22.164 18.052 1700 HA GLU 56 HA GLU 56 -7.172 23.780 18.780 1701 1HB GLU 56 1HB GLU 56 -9.351 21.700 18.597 1702 2HB GLU 56 2HB GLU 56 -9.523 23.447 18.489 1703 1HG GLU 56 1HG GLU 56 -8.497 23.506 16.359 1704 2HG GLU 56 2HG GLU 56 -7.961 21.832 16.495 Start of MODEL 9 1 1H MET 1 1H MET 1 10.334 19.546 -1.134 2 2H MET 1 2H MET 1 11.394 20.384 -0.076 3 3H MET 1 3H MET 1 10.002 21.171 -0.700 4 HA MET 1 HA MET 1 10.020 18.845 1.103 5 1HB MET 1 1HB MET 1 10.684 21.359 1.773 6 2HB MET 1 2HB MET 1 8.934 21.507 1.860 7 1HG MET 1 1HG MET 1 10.376 19.291 3.263 8 2HG MET 1 2HG MET 1 10.221 20.891 3.987 9 1HE MET 1 1HE MET 1 9.225 17.657 4.040 10 2HE MET 1 2HE MET 1 7.892 17.615 2.886 11 3HE MET 1 3HE MET 1 7.563 17.570 4.618 12 H GLN 2 H GLN 2 8.246 17.673 0.877 13 HA GLN 2 HA GLN 2 5.954 18.739 -0.561 14 1HB GLN 2 1HB GLN 2 6.951 16.405 -0.906 15 2HB GLN 2 2HB GLN 2 6.194 15.978 0.622 16 1HG GLN 2 1HG GLN 2 4.020 16.381 -0.251 17 2HG GLN 2 2HG GLN 2 4.680 17.100 -1.719 18 1HE2 GLN 2 1HE2 GLN 2 3.507 14.309 -0.303 19 2HE2 GLN 2 2HE2 GLN 2 4.009 13.172 -1.504 20 H TYR 3 H TYR 3 4.242 19.592 0.407 21 HA TYR 3 HA TYR 3 3.877 19.085 3.278 22 1HB TYR 3 1HB TYR 3 3.290 21.456 1.544 23 2HB TYR 3 2HB TYR 3 2.410 21.229 3.052 24 HD1 TYR 3 HD1 TYR 3 5.505 22.291 1.538 25 HD2 TYR 3 HD2 TYR 3 3.698 21.118 5.207 26 HE1 TYR 3 HE1 TYR 3 7.369 23.311 2.776 27 HE2 TYR 3 HE2 TYR 3 5.556 22.136 6.455 28 HH TYR 3 HH TYR 3 7.270 23.970 6.036 29 H LYS 4 H LYS 4 2.178 18.071 3.979 30 HA LYS 4 HA LYS 4 -0.039 17.525 2.118 31 1HB LYS 4 1HB LYS 4 1.156 15.976 4.383 32 2HB LYS 4 2HB LYS 4 -0.529 15.711 3.959 33 1HG LYS 4 1HG LYS 4 0.097 15.090 1.707 34 2HG LYS 4 2HG LYS 4 1.790 15.445 2.057 35 1HD LYS 4 1HD LYS 4 1.933 13.641 3.602 36 2HD LYS 4 2HD LYS 4 0.186 13.400 3.579 37 1HE LYS 4 1HE LYS 4 0.226 12.489 1.423 38 2HE LYS 4 2HE LYS 4 1.836 13.125 1.089 39 1HZ LYS 4 1HZ LYS 4 2.812 11.532 2.500 40 2HZ LYS 4 2HZ LYS 4 1.695 10.678 1.559 41 3HZ LYS 4 3HZ LYS 4 1.324 11.071 3.162 42 H VAL 5 H VAL 5 -1.949 18.415 2.482 43 HA VAL 5 HA VAL 5 -2.727 19.126 5.219 44 HB VAL 5 HB VAL 5 -2.996 21.090 2.943 45 1HG1 VAL 5 1HG1 VAL 5 -3.713 22.648 4.603 46 2HG1 VAL 5 2HG1 VAL 5 -3.335 21.520 5.905 47 3HG1 VAL 5 3HG1 VAL 5 -4.669 21.179 4.802 48 1HG2 VAL 5 1HG2 VAL 5 -0.932 20.907 5.126 49 2HG2 VAL 5 2HG2 VAL 5 -1.257 22.390 4.231 50 3HG2 VAL 5 3HG2 VAL 5 -0.672 20.958 3.382 51 H ILE 6 H ILE 6 -4.757 18.548 5.650 52 HA ILE 6 HA ILE 6 -6.478 17.704 3.447 53 HB ILE 6 HB ILE 6 -6.973 17.392 6.408 54 1HG1 ILE 6 1HG1 ILE 6 -5.744 15.391 4.499 55 2HG1 ILE 6 2HG1 ILE 6 -4.845 16.311 5.701 56 1HG2 ILE 6 1HG2 ILE 6 -8.560 15.707 5.765 57 2HG2 ILE 6 2HG2 ILE 6 -8.103 15.864 4.069 58 3HG2 ILE 6 3HG2 ILE 6 -8.924 17.193 4.888 59 1HD1 ILE 6 1HD1 ILE 6 -5.287 14.063 6.480 60 2HD1 ILE 6 2HD1 ILE 6 -7.019 14.310 6.264 61 3HD1 ILE 6 3HD1 ILE 6 -6.140 15.242 7.476 62 H LEU 7 H LEU 7 -7.963 19.059 2.671 63 HA LEU 7 HA LEU 7 -9.284 20.914 4.523 64 1HB LEU 7 1HB LEU 7 -7.411 21.791 2.767 65 2HB LEU 7 2HB LEU 7 -8.859 21.926 1.786 66 HG LEU 7 HG LEU 7 -9.887 23.298 3.617 67 1HD1 LEU 7 1HD1 LEU 7 -8.124 22.350 5.287 68 2HD1 LEU 7 2HD1 LEU 7 -8.708 24.005 5.459 69 3HD1 LEU 7 3HD1 LEU 7 -7.140 23.696 4.710 70 1HD2 LEU 7 1HD2 LEU 7 -7.360 24.281 2.302 71 2HD2 LEU 7 2HD2 LEU 7 -8.518 25.328 3.123 72 3HD2 LEU 7 3HD2 LEU 7 -9.010 24.417 1.693 73 H ASN 8 H ASN 8 -11.373 20.454 4.531 74 HA ASN 8 HA ASN 8 -12.805 20.150 2.031 75 1HB ASN 8 1HB ASN 8 -12.067 17.841 2.677 76 2HB ASN 8 2HB ASN 8 -13.021 18.009 4.147 77 1HD2 ASN 8 1HD2 ASN 8 -13.362 18.407 0.640 78 2HD2 ASN 8 2HD2 ASN 8 -14.937 17.708 0.542 79 H GLY 9 H GLY 9 -13.352 19.552 5.494 80 1HA GLY 9 1HA GLY 9 -14.799 21.836 6.072 81 2HA GLY 9 2HA GLY 9 -15.966 20.684 5.443 82 H LYS 10 H LYS 10 -15.998 18.527 6.524 83 HA LYS 10 HA LYS 10 -16.299 17.260 8.388 84 1HB LYS 10 1HB LYS 10 -13.730 17.811 8.464 85 2HB LYS 10 2HB LYS 10 -14.185 18.798 9.845 86 1HG LYS 10 1HG LYS 10 -15.341 16.681 10.723 87 2HG LYS 10 2HG LYS 10 -14.376 15.830 9.515 88 1HD LYS 10 1HD LYS 10 -12.409 17.207 10.584 89 2HD LYS 10 2HD LYS 10 -13.503 17.287 11.966 90 1HE LYS 10 1HE LYS 10 -12.823 14.695 10.607 91 2HE LYS 10 2HE LYS 10 -11.836 15.359 11.908 92 1HZ LYS 10 1HZ LYS 10 -13.470 15.012 13.450 93 2HZ LYS 10 2HZ LYS 10 -13.757 13.701 12.421 94 3HZ LYS 10 3HZ LYS 10 -14.728 15.082 12.322 95 H THR 11 H THR 11 -18.356 18.206 8.741 96 HA THR 11 HA THR 11 -18.613 20.490 10.480 97 HB THR 11 HB THR 11 -21.107 19.726 10.368 98 HG1 THR 11 HG1 THR 11 -21.531 18.413 8.581 99 1HG2 THR 11 1HG2 THR 11 -20.589 20.321 7.632 100 2HG2 THR 11 2HG2 THR 11 -19.534 21.298 8.651 101 3HG2 THR 11 3HG2 THR 11 -21.281 21.349 8.886 102 H LEU 12 H LEU 12 -19.381 20.519 12.582 103 HA LEU 12 HA LEU 12 -18.855 18.110 14.105 104 1HB LEU 12 1HB LEU 12 -19.696 20.852 15.052 105 2HB LEU 12 2HB LEU 12 -19.122 19.541 16.066 106 HG LEU 12 HG LEU 12 -17.443 20.822 13.914 107 1HD1 LEU 12 1HD1 LEU 12 -18.109 22.444 15.675 108 2HD1 LEU 12 2HD1 LEU 12 -16.377 22.123 15.620 109 3HD1 LEU 12 3HD1 LEU 12 -17.371 21.381 16.873 110 1HD2 LEU 12 1HD2 LEU 12 -16.707 19.084 16.266 111 2HD2 LEU 12 2HD2 LEU 12 -15.600 19.744 15.064 112 3HD2 LEU 12 3HD2 LEU 12 -16.804 18.547 14.590 113 H LYS 13 H LYS 13 -21.583 20.066 13.130 114 HA LYS 13 HA LYS 13 -23.831 19.769 13.290 115 1HB LYS 13 1HB LYS 13 -22.825 17.350 12.603 116 2HB LYS 13 2HB LYS 13 -23.638 16.932 14.105 117 1HG LYS 13 1HG LYS 13 -25.129 16.554 12.266 118 2HG LYS 13 2HG LYS 13 -25.718 17.924 13.209 119 1HD LYS 13 1HD LYS 13 -25.383 19.391 11.526 120 2HD LYS 13 2HD LYS 13 -23.896 18.602 10.998 121 1HE LYS 13 1HE LYS 13 -25.512 16.717 10.201 122 2HE LYS 13 2HE LYS 13 -26.732 17.989 10.277 123 1HZ LYS 13 1HZ LYS 13 -24.503 17.661 8.435 124 2HZ LYS 13 2HZ LYS 13 -24.832 19.245 8.928 125 3HZ LYS 13 3HZ LYS 13 -26.036 18.327 8.173 126 H GLY 14 H GLY 14 -22.600 20.764 15.565 127 1HA GLY 14 1HA GLY 14 -24.523 19.920 17.587 128 2HA GLY 14 2HA GLY 14 -22.825 19.751 18.011 129 H GLU 15 H GLU 15 -21.519 21.656 18.147 130 HA GLU 15 HA GLU 15 -22.825 23.818 19.408 131 1HB GLU 15 1HB GLU 15 -20.023 23.777 18.277 132 2HB GLU 15 2HB GLU 15 -20.639 24.856 19.520 133 1HG GLU 15 1HG GLU 15 -21.158 22.433 20.623 134 2HG GLU 15 2HG GLU 15 -19.683 22.095 19.718 135 H THR 16 H THR 16 -21.949 26.159 18.594 136 HA THR 16 HA THR 16 -22.909 26.404 15.818 137 HB THR 16 HB THR 16 -23.072 28.643 17.808 138 HG1 THR 16 HG1 THR 16 -24.847 26.456 17.547 139 1HG2 THR 16 1HG2 THR 16 -24.294 29.678 16.283 140 2HG2 THR 16 2HG2 THR 16 -25.315 28.261 16.037 141 3HG2 THR 16 3HG2 THR 16 -23.801 28.422 15.148 142 H THR 17 H THR 17 -20.997 26.454 14.725 143 HA THR 17 HA THR 17 -19.449 28.884 14.936 144 HB THR 17 HB THR 17 -17.941 26.283 15.114 145 HG1 THR 17 HG1 THR 17 -18.958 26.295 17.030 146 1HG2 THR 17 1HG2 THR 17 -16.701 28.533 16.369 147 2HG2 THR 17 2HG2 THR 17 -17.126 28.926 14.703 148 3HG2 THR 17 3HG2 THR 17 -16.116 27.521 15.049 149 H THR 18 H THR 18 -19.321 25.618 13.515 150 HA THR 18 HA THR 18 -18.979 24.882 11.394 151 HB THR 18 HB THR 18 -20.241 25.939 9.662 152 HG1 THR 18 HG1 THR 18 -19.940 28.023 9.591 153 1HG2 THR 18 1HG2 THR 18 -21.474 25.075 11.802 154 2HG2 THR 18 2HG2 THR 18 -22.351 25.914 10.522 155 3HG2 THR 18 3HG2 THR 18 -21.887 26.780 11.987 156 H GLU 19 H GLU 19 -16.895 24.773 10.863 157 HA GLU 19 HA GLU 19 -15.166 27.004 10.628 158 1HB GLU 19 1HB GLU 19 -14.829 24.199 9.547 159 2HB GLU 19 2HB GLU 19 -13.549 25.395 9.709 160 1HG GLU 19 1HG GLU 19 -13.679 25.335 12.080 161 2HG GLU 19 2HG GLU 19 -15.153 24.367 12.033 162 H ALA 20 H ALA 20 -13.749 26.968 8.415 163 HA ALA 20 HA ALA 20 -15.576 27.028 6.127 164 1HB ALA 20 1HB ALA 20 -15.414 29.303 7.274 165 2HB ALA 20 2HB ALA 20 -15.126 29.246 5.535 166 3HB ALA 20 3HB ALA 20 -13.764 29.363 6.650 167 H VAL 21 H VAL 21 -13.638 25.105 6.585 168 HA VAL 21 HA VAL 21 -11.308 25.833 4.981 169 HB VAL 21 HB VAL 21 -10.618 23.434 5.457 170 1HG1 VAL 21 1HG1 VAL 21 -10.052 25.616 6.779 171 2HG1 VAL 21 2HG1 VAL 21 -9.610 24.040 7.435 172 3HG1 VAL 21 3HG1 VAL 21 -11.043 24.875 8.035 173 1HG2 VAL 21 1HG2 VAL 21 -12.480 23.351 7.741 174 2HG2 VAL 21 2HG2 VAL 21 -11.858 22.043 6.735 175 3HG2 VAL 21 3HG2 VAL 21 -13.190 23.044 6.157 176 H ASP 22 H ASP 22 -12.279 26.106 2.950 177 HA ASP 22 HA ASP 22 -13.534 23.740 1.753 178 1HB ASP 22 1HB ASP 22 -14.755 25.905 1.651 179 2HB ASP 22 2HB ASP 22 -13.435 26.567 0.692 180 H ALA 23 H ALA 23 -12.811 22.776 -0.046 181 HA ALA 23 HA ALA 23 -10.099 22.633 -0.563 182 1HB ALA 23 1HB ALA 23 -11.687 21.975 -2.894 183 2HB ALA 23 2HB ALA 23 -12.397 21.341 -1.407 184 3HB ALA 23 3HB ALA 23 -10.737 20.924 -1.840 185 H ALA 24 H ALA 24 -12.585 24.561 -2.187 186 HA ALA 24 HA ALA 24 -10.935 25.570 -4.250 187 1HB ALA 24 1HB ALA 24 -12.695 27.203 -4.619 188 2HB ALA 24 2HB ALA 24 -13.414 26.808 -3.057 189 3HB ALA 24 3HB ALA 24 -13.392 25.606 -4.346 190 H THR 25 H THR 25 -11.550 26.565 -0.955 191 HA THR 25 HA THR 25 -10.474 29.164 -1.075 192 HB THR 25 HB THR 25 -10.762 27.178 1.183 193 HG1 THR 25 HG1 THR 25 -12.181 29.507 0.424 194 1HG2 THR 25 1HG2 THR 25 -9.339 29.711 1.216 195 2HG2 THR 25 2HG2 THR 25 -9.376 28.408 2.404 196 3HG2 THR 25 3HG2 THR 25 -10.654 29.625 2.388 197 H PHE 26 H PHE 26 -9.039 26.002 -0.634 198 HA PHE 26 HA PHE 26 -6.445 26.847 0.113 199 1HB PHE 26 1HB PHE 26 -7.451 24.495 0.279 200 2HB PHE 26 2HB PHE 26 -7.045 24.325 -1.425 201 HD1 PHE 26 HD1 PHE 26 -5.560 25.088 1.890 202 HD2 PHE 26 HD2 PHE 26 -4.913 23.656 -2.065 203 HE1 PHE 26 HE1 PHE 26 -3.273 24.423 2.508 204 HE2 PHE 26 HE2 PHE 26 -2.626 22.988 -1.453 205 HZ PHE 26 HZ PHE 26 -1.802 23.370 0.836 206 H GLU 27 H GLU 27 -7.808 25.888 -3.025 207 HA GLU 27 HA GLU 27 -5.532 26.209 -4.581 208 1HB GLU 27 1HB GLU 27 -8.438 26.598 -5.301 209 2HB GLU 27 2HB GLU 27 -7.135 26.549 -6.481 210 1HG GLU 27 1HG GLU 27 -6.584 24.279 -5.801 211 2HG GLU 27 2HG GLU 27 -7.865 24.324 -4.590 212 H LYS 28 H LYS 28 -8.094 28.617 -3.962 213 HA LYS 28 HA LYS 28 -6.887 30.651 -5.495 214 1HB LYS 28 1HB LYS 28 -9.305 30.500 -4.745 215 2HB LYS 28 2HB LYS 28 -8.764 31.098 -3.183 216 1HG LYS 28 1HG LYS 28 -8.148 33.179 -4.064 217 2HG LYS 28 2HG LYS 28 -8.192 32.582 -5.724 218 1HD LYS 28 1HD LYS 28 -10.646 32.653 -3.993 219 2HD LYS 28 2HD LYS 28 -10.137 34.047 -4.947 220 1HE LYS 28 1HE LYS 28 -10.212 32.658 -6.976 221 2HE LYS 28 2HE LYS 28 -10.772 31.296 -6.008 222 1HZ LYS 28 1HZ LYS 28 -12.206 33.881 -6.293 223 2HZ LYS 28 2HZ LYS 28 -12.754 32.521 -5.448 224 3HZ LYS 28 3HZ LYS 28 -12.590 32.461 -7.131 225 H VAL 29 H VAL 29 -6.859 30.102 -1.956 226 HA VAL 29 HA VAL 29 -5.378 32.397 -1.311 227 HB VAL 29 HB VAL 29 -5.475 29.766 0.170 228 1HG1 VAL 29 1HG1 VAL 29 -3.587 31.175 0.860 229 2HG1 VAL 29 2HG1 VAL 29 -4.810 31.052 2.128 230 3HG1 VAL 29 3HG1 VAL 29 -4.701 32.514 1.149 231 1HG2 VAL 29 1HG2 VAL 29 -7.020 32.095 1.105 232 2HG2 VAL 29 2HG2 VAL 29 -7.441 30.382 1.092 233 3HG2 VAL 29 3HG2 VAL 29 -7.594 31.339 -0.381 234 H VAL 30 H VAL 30 -4.323 29.121 -2.132 235 HA VAL 30 HA VAL 30 -1.585 29.582 -1.527 236 HB VAL 30 HB VAL 30 -2.775 27.474 -3.339 237 1HG1 VAL 30 1HG1 VAL 30 -0.346 27.849 -3.661 238 2HG1 VAL 30 2HG1 VAL 30 -0.718 26.254 -3.010 239 3HG1 VAL 30 3HG1 VAL 30 -0.098 27.517 -1.947 240 1HG2 VAL 30 1HG2 VAL 30 -3.175 26.168 -1.523 241 2HG2 VAL 30 2HG2 VAL 30 -3.369 27.743 -0.753 242 3HG2 VAL 30 3HG2 VAL 30 -1.848 26.863 -0.593 243 H LYS 31 H LYS 31 -3.402 29.660 -4.606 244 HA LYS 31 HA LYS 31 -1.154 30.190 -6.220 245 1HB LYS 31 1HB LYS 31 -3.535 29.456 -6.900 246 2HB LYS 31 2HB LYS 31 -3.932 31.168 -6.831 247 1HG LYS 31 1HG LYS 31 -2.315 31.665 -8.538 248 2HG LYS 31 2HG LYS 31 -1.750 29.992 -8.540 249 1HD LYS 31 1HD LYS 31 -3.675 29.210 -9.571 250 2HD LYS 31 2HD LYS 31 -4.627 30.612 -9.079 251 1HE LYS 31 1HE LYS 31 -3.264 32.006 -10.617 252 2HE LYS 31 2HE LYS 31 -2.458 30.538 -11.172 253 1HZ LYS 31 1HZ LYS 31 -4.620 29.691 -11.891 254 2HZ LYS 31 2HZ LYS 31 -4.232 31.142 -12.669 255 3HZ LYS 31 3HZ LYS 31 -5.358 31.135 -11.407 256 H GLN 32 H GLN 32 -3.525 32.316 -4.664 257 HA GLN 32 HA GLN 32 -2.490 34.737 -5.676 258 1HB GLN 32 1HB GLN 32 -4.755 34.354 -4.583 259 2HB GLN 32 2HB GLN 32 -3.918 34.423 -3.038 260 1HG GLN 32 1HG GLN 32 -4.659 36.583 -3.277 261 2HG GLN 32 2HG GLN 32 -3.019 36.690 -3.914 262 1HE2 GLN 32 1HE2 GLN 32 -6.380 36.889 -4.617 263 2HE2 GLN 32 2HE2 GLN 32 -6.231 37.410 -6.258 264 H PHE 33 H PHE 33 -1.846 32.959 -2.646 265 HA PHE 33 HA PHE 33 -0.093 34.896 -1.577 266 1HB PHE 33 1HB PHE 33 -0.994 33.519 0.024 267 2HB PHE 33 2HB PHE 33 -0.843 32.078 -0.966 268 HD1 PHE 33 HD1 PHE 33 1.544 34.586 0.504 269 HD2 PHE 33 HD2 PHE 33 0.487 30.506 -0.089 270 HE1 PHE 33 HE1 PHE 33 3.528 33.885 1.791 271 HE2 PHE 33 HE2 PHE 33 2.470 29.799 1.183 272 HZ PHE 33 HZ PHE 33 3.995 31.483 2.124 273 H PHE 34 H PHE 34 0.520 31.876 -3.358 274 HA PHE 34 HA PHE 34 3.350 32.279 -3.247 275 1HB PHE 34 1HB PHE 34 1.578 30.215 -4.468 276 2HB PHE 34 2HB PHE 34 3.277 30.302 -4.945 277 HD1 PHE 34 HD1 PHE 34 0.984 29.105 -2.500 278 HD2 PHE 34 HD2 PHE 34 5.012 30.354 -3.068 279 HE1 PHE 34 HE1 PHE 34 1.632 27.958 -0.418 280 HE2 PHE 34 HE2 PHE 34 5.669 29.207 -0.996 281 HZ PHE 34 HZ PHE 34 3.979 28.013 0.337 282 H ASN 35 H ASN 35 0.876 33.034 -5.633 283 HA ASN 35 HA ASN 35 2.495 33.384 -7.873 284 1HB ASN 35 1HB ASN 35 -0.060 34.675 -6.990 285 2HB ASN 35 2HB ASN 35 0.778 35.308 -8.402 286 1HD2 ASN 35 1HD2 ASN 35 0.899 31.909 -7.599 287 2HD2 ASN 35 2HD2 ASN 35 -0.106 31.376 -8.896 288 H ASP 36 H ASP 36 2.152 35.367 -5.039 289 HA ASP 36 HA ASP 36 3.302 37.748 -5.986 290 1HB ASP 36 1HB ASP 36 3.075 36.531 -3.240 291 2HB ASP 36 2HB ASP 36 3.885 38.073 -3.501 292 H ASN 37 H ASN 37 4.716 34.704 -5.353 293 HA ASN 37 HA ASN 37 7.404 35.872 -5.120 294 1HB ASN 37 1HB ASN 37 6.832 32.932 -4.898 295 2HB ASN 37 2HB ASN 37 8.172 33.851 -4.223 296 1HD2 ASN 37 1HD2 ASN 37 5.407 32.292 -3.492 297 2HD2 ASN 37 2HD2 ASN 37 5.005 33.077 -2.005 298 H GLY 38 H GLY 38 5.351 34.239 -7.366 299 1HA GLY 38 1HA GLY 38 6.193 34.537 -9.701 300 2HA GLY 38 2HA GLY 38 7.686 33.815 -9.126 301 H VAL 39 H VAL 39 4.813 32.463 -7.819 302 HA VAL 39 HA VAL 39 5.297 30.007 -9.300 303 HB VAL 39 HB VAL 39 3.248 30.503 -7.136 304 1HG1 VAL 39 1HG1 VAL 39 2.657 28.549 -8.318 305 2HG1 VAL 39 2HG1 VAL 39 3.505 27.991 -6.877 306 3HG1 VAL 39 3HG1 VAL 39 4.334 28.017 -8.433 307 1HG2 VAL 39 1HG2 VAL 39 6.102 29.563 -6.956 308 2HG2 VAL 39 2HG2 VAL 39 4.919 29.334 -5.667 309 3HG2 VAL 39 3HG2 VAL 39 5.371 30.964 -6.171 310 H ASP 40 H ASP 40 3.813 29.016 -10.691 311 HA ASP 40 HA ASP 40 1.226 30.216 -11.131 312 1HB ASP 40 1HB ASP 40 3.446 30.432 -13.157 313 2HB ASP 40 2HB ASP 40 1.750 30.486 -13.628 314 H GLY 41 H GLY 41 0.317 29.131 -13.302 315 1HA GLY 41 1HA GLY 41 0.449 27.032 -14.604 316 2HA GLY 41 2HA GLY 41 0.956 26.250 -13.115 317 H GLU 42 H GLU 42 -0.706 24.767 -13.008 318 HA GLU 42 HA GLU 42 -3.260 25.847 -12.129 319 1HB GLU 42 1HB GLU 42 -2.934 24.084 -14.546 320 2HB GLU 42 2HB GLU 42 -4.441 24.147 -13.644 321 1HG GLU 42 1HG GLU 42 -4.384 26.656 -14.013 322 2HG GLU 42 2HG GLU 42 -3.100 26.346 -15.182 323 H TRP 43 H TRP 43 -4.595 24.283 -11.038 324 HA TRP 43 HA TRP 43 -3.061 22.459 -9.469 325 1HB TRP 43 1HB TRP 43 -5.987 23.144 -9.609 326 2HB TRP 43 2HB TRP 43 -5.405 21.829 -8.592 327 HD1 TRP 43 HD1 TRP 43 -5.732 25.568 -8.705 328 HE1 TRP 43 HE1 TRP 43 -4.801 26.585 -6.533 329 HE3 TRP 43 HE3 TRP 43 -3.468 21.412 -6.769 330 HZ2 TRP 43 HZ2 TRP 43 -3.303 25.737 -4.293 331 HZ3 TRP 43 HZ3 TRP 43 -2.306 21.600 -4.608 332 HH2 TRP 43 HH2 TRP 43 -2.226 23.719 -3.397 333 H THR 44 H THR 44 -2.559 20.452 -9.895 334 HA THR 44 HA THR 44 -4.183 18.980 -11.859 335 HB THR 44 HB THR 44 -2.139 17.676 -12.353 336 HG1 THR 44 HG1 THR 44 -0.469 17.855 -11.120 337 1HG2 THR 44 1HG2 THR 44 -2.614 19.649 -13.725 338 2HG2 THR 44 2HG2 THR 44 -0.883 19.352 -13.549 339 3HG2 THR 44 3HG2 THR 44 -1.657 20.633 -12.617 340 H TYR 45 H TYR 45 -4.893 16.996 -11.367 341 HA TYR 45 HA TYR 45 -5.027 16.244 -8.613 342 1HB TYR 45 1HB TYR 45 -6.034 15.038 -11.171 343 2HB TYR 45 2HB TYR 45 -6.096 14.113 -9.674 344 HD1 TYR 45 HD1 TYR 45 -7.588 16.788 -11.602 345 HD2 TYR 45 HD2 TYR 45 -7.446 14.965 -7.759 346 HE1 TYR 45 HE1 TYR 45 -9.693 17.910 -10.997 347 HE2 TYR 45 HE2 TYR 45 -9.548 16.081 -7.144 348 HH TYR 45 HH TYR 45 -10.818 18.639 -8.774 349 H ASP 46 H ASP 46 -4.035 14.557 -7.545 350 HA ASP 46 HA ASP 46 -1.461 13.790 -8.495 351 1HB ASP 46 1HB ASP 46 -3.103 13.099 -6.076 352 2HB ASP 46 2HB ASP 46 -1.626 12.205 -6.427 353 H ASP 47 H ASP 47 -0.717 11.561 -8.732 354 HA ASP 47 HA ASP 47 -2.330 10.094 -10.534 355 1HB ASP 47 1HB ASP 47 0.301 9.589 -9.184 356 2HB ASP 47 2HB ASP 47 -0.481 8.298 -10.091 357 H ALA 48 H ALA 48 -3.646 8.377 -10.257 358 HA ALA 48 HA ALA 48 -4.853 7.864 -7.813 359 1HB ALA 48 1HB ALA 48 -5.554 7.279 -10.266 360 2HB ALA 48 2HB ALA 48 -6.143 6.317 -8.911 361 3HB ALA 48 3HB ALA 48 -4.799 5.729 -9.891 362 H THR 49 H THR 49 -4.629 6.359 -6.231 363 HA THR 49 HA THR 49 -2.407 4.447 -6.432 364 HB THR 49 HB THR 49 -2.976 6.052 -3.938 365 HG1 THR 49 HG1 THR 49 -2.215 7.470 -5.501 366 1HG2 THR 49 1HG2 THR 49 -0.580 4.417 -4.738 367 2HG2 THR 49 2HG2 THR 49 -1.794 3.962 -3.544 368 3HG2 THR 49 3HG2 THR 49 -0.751 5.355 -3.255 369 H LYS 50 H LYS 50 -2.581 2.623 -4.974 370 HA LYS 50 HA LYS 50 -5.352 2.139 -4.093 371 1HB LYS 50 1HB LYS 50 -3.458 0.441 -5.642 372 2HB LYS 50 2HB LYS 50 -4.519 -0.363 -4.492 373 1HG LYS 50 1HG LYS 50 -6.458 0.356 -5.618 374 2HG LYS 50 2HG LYS 50 -5.556 1.528 -6.580 375 1HD LYS 50 1HD LYS 50 -4.273 -0.707 -7.307 376 2HD LYS 50 2HD LYS 50 -5.853 -1.397 -6.930 377 1HE LYS 50 1HE LYS 50 -6.919 0.164 -8.462 378 2HE LYS 50 2HE LYS 50 -5.361 0.914 -8.806 379 1HZ LYS 50 1HZ LYS 50 -6.186 -0.761 -10.472 380 2HZ LYS 50 2HZ LYS 50 -5.888 -1.956 -9.313 381 3HZ LYS 50 3HZ LYS 50 -4.613 -1.010 -9.899 382 H THR 51 H THR 51 -5.677 1.021 -2.181 383 HA THR 51 HA THR 51 -3.325 0.357 -0.567 384 HB THR 51 HB THR 51 -5.530 2.281 0.181 385 HG1 THR 51 HG1 THR 51 -3.727 3.570 0.712 386 1HG2 THR 51 1HG2 THR 51 -5.303 0.771 2.079 387 2HG2 THR 51 2HG2 THR 51 -4.638 2.364 2.443 388 3HG2 THR 51 3HG2 THR 51 -3.556 1.019 2.077 389 H PHE 52 H PHE 52 -3.544 -1.530 0.480 390 HA PHE 52 HA PHE 52 -6.004 -3.009 0.186 391 1HB PHE 52 1HB PHE 52 -3.724 -4.025 -0.112 392 2HB PHE 52 2HB PHE 52 -3.486 -3.857 1.624 393 HD1 PHE 52 HD1 PHE 52 -5.550 -5.507 -0.958 394 HD2 PHE 52 HD2 PHE 52 -4.389 -5.417 3.135 395 HE1 PHE 52 HE1 PHE 52 -6.655 -7.676 -0.601 396 HE2 PHE 52 HE2 PHE 52 -5.491 -7.587 3.500 397 HZ PHE 52 HZ PHE 52 -6.625 -8.719 1.630 398 H THR 53 H THR 53 -7.603 -3.030 1.615 399 HA THR 53 HA THR 53 -7.107 -2.038 4.320 400 HB THR 53 HB THR 53 -9.702 -2.642 2.885 401 HG1 THR 53 HG1 THR 53 -8.467 -0.792 2.158 402 1HG2 THR 53 1HG2 THR 53 -9.153 -1.955 5.672 403 2HG2 THR 53 2HG2 THR 53 -10.591 -2.657 4.931 404 3HG2 THR 53 3HG2 THR 53 -10.335 -0.913 4.878 405 H VAL 54 H VAL 54 -6.891 -3.386 5.993 406 HA VAL 54 HA VAL 54 -7.061 -6.205 5.638 407 HB VAL 54 HB VAL 54 -6.927 -4.823 8.309 408 1HG1 VAL 54 1HG1 VAL 54 -6.216 -7.525 7.249 409 2HG1 VAL 54 2HG1 VAL 54 -7.142 -7.092 8.686 410 3HG1 VAL 54 3HG1 VAL 54 -5.390 -6.884 8.671 411 1HG2 VAL 54 1HG2 VAL 54 -4.378 -5.132 7.921 412 2HG2 VAL 54 2HG2 VAL 54 -5.191 -3.726 7.233 413 3HG2 VAL 54 3HG2 VAL 54 -4.811 -5.113 6.213 414 H THR 55 H THR 55 -8.390 -7.674 6.856 415 HA THR 55 HA THR 55 -10.839 -6.629 8.012 416 HB THR 55 HB THR 55 -10.888 -8.512 5.650 417 HG1 THR 55 HG1 THR 55 -11.719 -5.813 5.896 418 1HG2 THR 55 1HG2 THR 55 -13.368 -7.226 6.521 419 2HG2 THR 55 2HG2 THR 55 -12.735 -8.450 7.621 420 3HG2 THR 55 3HG2 THR 55 -13.074 -8.865 5.940 421 H GLU 56 H GLU 56 -9.775 -9.760 6.723 422 HA GLU 56 HA GLU 56 -9.551 -11.812 7.679 423 1HB GLU 56 1HB GLU 56 -9.038 -10.277 10.230 424 2HB GLU 56 2HB GLU 56 -8.554 -11.930 9.880 425 1HG GLU 56 1HG GLU 56 -7.000 -11.184 8.214 426 2HG GLU 56 2HG GLU 56 -7.569 -9.523 8.369 427 1H MET 1 1H MET 1 -9.890 15.733 2.225 428 2H MET 1 2H MET 1 -11.207 16.464 1.401 429 3H MET 1 3H MET 1 -10.101 17.432 2.290 430 HA MET 1 HA MET 1 -9.476 15.836 -0.100 431 1HB MET 1 1HB MET 1 -10.922 18.096 -0.056 432 2HB MET 1 2HB MET 1 -9.311 18.802 -0.015 433 1HG MET 1 1HG MET 1 -10.054 16.746 -2.059 434 2HG MET 1 2HG MET 1 -10.438 18.451 -2.287 435 1HE MET 1 1HE MET 1 -8.491 15.847 -3.218 436 2HE MET 1 2HE MET 1 -7.157 15.891 -2.064 437 3HE MET 1 3HE MET 1 -6.911 16.451 -3.717 438 H GLN 2 H GLN 2 -7.419 15.264 -0.141 439 HA GLN 2 HA GLN 2 -5.508 16.527 1.651 440 1HB GLN 2 1HB GLN 2 -5.714 14.004 1.260 441 2HB GLN 2 2HB GLN 2 -4.932 14.292 -0.288 442 1HG GLN 2 1HG GLN 2 -2.953 15.080 0.767 443 2HG GLN 2 2HG GLN 2 -3.736 15.105 2.346 444 1HE2 GLN 2 1HE2 GLN 2 -1.822 13.344 0.246 445 2HE2 GLN 2 2HE2 GLN 2 -1.891 11.815 1.046 446 H TYR 3 H TYR 3 -4.194 18.111 1.049 447 HA TYR 3 HA TYR 3 -3.823 18.590 -1.826 448 1HB TYR 3 1HB TYR 3 -3.928 20.424 0.542 449 2HB TYR 3 2HB TYR 3 -3.091 20.925 -0.923 450 HD1 TYR 3 HD1 TYR 3 -6.290 20.487 0.681 451 HD2 TYR 3 HD2 TYR 3 -4.378 21.040 -3.080 452 HE1 TYR 3 HE1 TYR 3 -8.434 21.185 -0.300 453 HE2 TYR 3 HE2 TYR 3 -6.517 21.740 -4.070 454 HH TYR 3 HH TYR 3 -8.695 22.746 -3.228 455 H LYS 4 H LYS 4 -1.927 18.401 -2.704 456 HA LYS 4 HA LYS 4 0.432 18.065 -0.974 457 1HB LYS 4 1HB LYS 4 -0.323 16.940 -3.644 458 2HB LYS 4 2HB LYS 4 1.379 17.100 -3.232 459 1HG LYS 4 1HG LYS 4 1.077 15.696 -1.286 460 2HG LYS 4 2HG LYS 4 -0.657 15.593 -1.602 461 1HD LYS 4 1HD LYS 4 -0.300 14.358 -3.604 462 2HD LYS 4 2HD LYS 4 1.435 14.676 -3.567 463 1HE LYS 4 1HE LYS 4 1.778 13.218 -1.766 464 2HE LYS 4 2HE LYS 4 0.067 13.198 -1.343 465 1HZ LYS 4 1HZ LYS 4 -0.427 11.855 -3.197 466 2HZ LYS 4 2HZ LYS 4 0.943 11.160 -2.489 467 3HZ LYS 4 3HZ LYS 4 1.098 12.092 -3.892 468 H VAL 5 H VAL 5 1.951 19.571 -0.977 469 HA VAL 5 HA VAL 5 2.339 21.244 -3.354 470 HB VAL 5 HB VAL 5 2.089 22.451 -0.600 471 1HG1 VAL 5 1HG1 VAL 5 2.203 24.563 -1.706 472 2HG1 VAL 5 2HG1 VAL 5 2.142 23.797 -3.293 473 3HG1 VAL 5 3HG1 VAL 5 3.562 23.590 -2.268 474 1HG2 VAL 5 1HG2 VAL 5 0.086 22.267 -2.838 475 2HG2 VAL 5 2HG2 VAL 5 -0.028 23.457 -1.540 476 3HG2 VAL 5 3HG2 VAL 5 -0.097 21.734 -1.167 477 H ILE 6 H ILE 6 4.425 21.477 -3.834 478 HA ILE 6 HA ILE 6 6.422 20.616 -1.887 479 HB ILE 6 HB ILE 6 6.857 21.335 -4.785 480 1HG1 ILE 6 1HG1 ILE 6 6.398 18.593 -3.589 481 2HG1 ILE 6 2HG1 ILE 6 5.206 19.491 -4.522 482 1HG2 ILE 6 1HG2 ILE 6 8.917 20.118 -4.576 483 2HG2 ILE 6 2HG2 ILE 6 8.510 19.632 -2.930 484 3HG2 ILE 6 3HG2 ILE 6 8.839 21.325 -3.293 485 1HD1 ILE 6 1HD1 ILE 6 6.289 17.815 -5.887 486 2HD1 ILE 6 2HD1 ILE 6 7.868 18.511 -5.523 487 3HD1 ILE 6 3HD1 ILE 6 6.695 19.432 -6.462 488 H LEU 7 H LEU 7 7.445 22.081 -0.681 489 HA LEU 7 HA LEU 7 8.036 24.707 -1.857 490 1HB LEU 7 1HB LEU 7 6.064 24.411 -0.016 491 2HB LEU 7 2HB LEU 7 7.439 24.700 1.032 492 HG LEU 7 HG LEU 7 7.905 26.791 -0.273 493 1HD1 LEU 7 1HD1 LEU 7 6.453 25.866 -2.230 494 2HD1 LEU 7 2HD1 LEU 7 6.480 27.597 -1.889 495 3HD1 LEU 7 3HD1 LEU 7 5.125 26.610 -1.340 496 1HD2 LEU 7 1HD2 LEU 7 5.260 26.514 1.144 497 2HD2 LEU 7 2HD2 LEU 7 5.994 28.060 0.715 498 3HD2 LEU 7 3HD2 LEU 7 6.811 26.978 1.844 499 H ASN 8 H ASN 8 10.162 24.932 -1.899 500 HA ASN 8 HA ASN 8 11.734 24.406 0.475 501 1HB ASN 8 1HB ASN 8 11.714 22.250 -0.812 502 2HB ASN 8 2HB ASN 8 12.494 23.102 -2.142 503 1HD2 ASN 8 1HD2 ASN 8 12.871 22.581 1.346 504 2HD2 ASN 8 2HD2 ASN 8 14.590 22.417 1.307 505 H GLY 9 H GLY 9 12.249 24.965 -2.992 506 1HA GLY 9 1HA GLY 9 12.888 27.646 -2.914 507 2HA GLY 9 2HA GLY 9 14.388 26.802 -2.555 508 H LYS 10 H LYS 10 11.686 26.373 -4.845 509 HA LYS 10 HA LYS 10 13.637 25.723 -6.927 510 1HB LYS 10 1HB LYS 10 10.722 25.191 -6.539 511 2HB LYS 10 2HB LYS 10 11.361 25.232 -8.177 512 1HG LYS 10 1HG LYS 10 12.744 23.390 -7.812 513 2HG LYS 10 2HG LYS 10 12.626 23.535 -6.057 514 1HD LYS 10 1HD LYS 10 11.182 21.799 -6.379 515 2HD LYS 10 2HD LYS 10 10.055 23.144 -6.574 516 1HE LYS 10 1HE LYS 10 10.079 22.963 -8.918 517 2HE LYS 10 2HE LYS 10 11.520 21.948 -8.906 518 1HZ LYS 10 1HZ LYS 10 9.010 21.042 -7.643 519 2HZ LYS 10 2HZ LYS 10 10.315 20.115 -8.187 520 3HZ LYS 10 3HZ LYS 10 9.271 20.840 -9.302 521 H THR 11 H THR 11 14.384 27.468 -7.950 522 HA THR 11 HA THR 11 12.426 29.335 -9.084 523 HB THR 11 HB THR 11 15.052 30.331 -8.009 524 HG1 THR 11 HG1 THR 11 14.077 29.555 -6.199 525 1HG2 THR 11 1HG2 THR 11 13.653 32.429 -7.741 526 2HG2 THR 11 2HG2 THR 11 12.457 31.624 -8.760 527 3HG2 THR 11 3HG2 THR 11 14.074 31.946 -9.385 528 H LEU 12 H LEU 12 12.811 29.902 -11.161 529 HA LEU 12 HA LEU 12 14.999 28.562 -12.513 530 1HB LEU 12 1HB LEU 12 12.786 30.259 -13.662 531 2HB LEU 12 2HB LEU 12 13.888 29.241 -14.569 532 HG LEU 12 HG LEU 12 12.011 28.117 -12.502 533 1HD1 LEU 12 1HD1 LEU 12 10.392 27.696 -14.158 534 2HD1 LEU 12 2HD1 LEU 12 11.476 28.195 -15.457 535 3HD1 LEU 12 3HD1 LEU 12 10.827 29.396 -14.340 536 1HD2 LEU 12 1HD2 LEU 12 12.363 26.164 -14.258 537 2HD2 LEU 12 2HD2 LEU 12 13.492 26.441 -12.933 538 3HD2 LEU 12 3HD2 LEU 12 13.866 27.037 -14.551 539 H LYS 13 H LYS 13 13.893 31.843 -11.873 540 HA LYS 13 HA LYS 13 16.482 32.937 -11.960 541 1HB LYS 13 1HB LYS 13 16.139 34.386 -14.009 542 2HB LYS 13 2HB LYS 13 16.471 32.686 -14.319 543 1HG LYS 13 1HG LYS 13 13.744 32.721 -14.217 544 2HG LYS 13 2HG LYS 13 14.110 34.287 -14.943 545 1HD LYS 13 1HD LYS 13 15.471 31.822 -15.950 546 2HD LYS 13 2HD LYS 13 13.821 32.186 -16.458 547 1HE LYS 13 1HE LYS 13 14.502 34.295 -17.372 548 2HE LYS 13 2HE LYS 13 16.122 34.117 -16.699 549 1HZ LYS 13 1HZ LYS 13 15.564 33.516 -19.195 550 2HZ LYS 13 2HZ LYS 13 15.184 32.020 -18.502 551 3HZ LYS 13 3HZ LYS 13 16.735 32.670 -18.313 552 H GLY 14 H GLY 14 16.394 34.626 -10.637 553 1HA GLY 14 1HA GLY 14 14.760 36.836 -10.828 554 2HA GLY 14 2HA GLY 14 13.898 35.717 -9.783 555 H GLU 15 H GLU 15 15.596 34.652 -8.133 556 HA GLU 15 HA GLU 15 16.794 34.981 -6.230 557 1HB GLU 15 1HB GLU 15 18.114 36.915 -8.110 558 2HB GLU 15 2HB GLU 15 18.618 36.821 -6.428 559 1HG GLU 15 1HG GLU 15 19.124 34.448 -6.711 560 2HG GLU 15 2HG GLU 15 18.620 34.544 -8.398 561 H THR 16 H THR 16 14.344 36.020 -6.052 562 HA THR 16 HA THR 16 14.522 38.780 -5.138 563 HB THR 16 HB THR 16 12.586 38.199 -6.469 564 HG1 THR 16 HG1 THR 16 12.354 39.617 -4.586 565 1HG2 THR 16 1HG2 THR 16 12.583 35.791 -4.978 566 2HG2 THR 16 2HG2 THR 16 11.574 36.245 -6.351 567 3HG2 THR 16 3HG2 THR 16 11.048 36.616 -4.708 568 H THR 17 H THR 17 15.036 39.241 -3.115 569 HA THR 17 HA THR 17 15.387 39.077 -0.875 570 HB THR 17 HB THR 17 13.543 38.422 0.465 571 HG1 THR 17 HG1 THR 17 12.488 36.683 0.033 572 1HG2 THR 17 1HG2 THR 17 13.103 40.027 -1.789 573 2HG2 THR 17 2HG2 THR 17 12.193 39.999 -0.278 574 3HG2 THR 17 3HG2 THR 17 11.689 38.985 -1.630 575 H THR 18 H THR 18 15.054 37.181 1.024 576 HA THR 18 HA THR 18 16.957 35.151 0.161 577 HB THR 18 HB THR 18 16.826 34.619 2.724 578 HG1 THR 18 HG1 THR 18 15.728 35.966 3.887 579 1HG2 THR 18 1HG2 THR 18 18.317 36.589 1.248 580 2HG2 THR 18 2HG2 THR 18 18.832 35.534 2.564 581 3HG2 THR 18 3HG2 THR 18 18.076 37.086 2.923 582 H GLU 19 H GLU 19 15.940 33.518 -0.861 583 HA GLU 19 HA GLU 19 14.647 31.679 -1.193 584 1HB GLU 19 1HB GLU 19 14.502 31.836 1.818 585 2HB GLU 19 2HB GLU 19 13.809 30.512 0.889 586 1HG GLU 19 1HG GLU 19 15.822 29.602 1.389 587 2HG GLU 19 2HG GLU 19 16.244 30.411 -0.120 588 H ALA 20 H ALA 20 12.866 32.141 -2.309 589 HA ALA 20 HA ALA 20 10.774 33.807 -1.287 590 1HB ALA 20 1HB ALA 20 10.176 32.164 -3.643 591 2HB ALA 20 2HB ALA 20 11.613 33.175 -3.786 592 3HB ALA 20 3HB ALA 20 10.053 33.908 -3.413 593 H VAL 21 H VAL 21 10.777 30.433 -2.397 594 HA VAL 21 HA VAL 21 8.394 29.911 -0.784 595 HB VAL 21 HB VAL 21 8.470 27.661 -1.959 596 1HG1 VAL 21 1HG1 VAL 21 7.189 29.839 -2.627 597 2HG1 VAL 21 2HG1 VAL 21 7.233 28.462 -3.728 598 3HG1 VAL 21 3HG1 VAL 21 8.305 29.838 -3.992 599 1HG2 VAL 21 1HG2 VAL 21 10.157 28.824 -4.079 600 2HG2 VAL 21 2HG2 VAL 21 10.025 27.157 -3.519 601 3HG2 VAL 21 3HG2 VAL 21 11.000 28.316 -2.615 602 H ASP 22 H ASP 22 9.330 29.881 1.285 603 HA ASP 22 HA ASP 22 11.318 27.788 1.807 604 1HB ASP 22 1HB ASP 22 11.806 30.099 2.587 605 2HB ASP 22 2HB ASP 22 10.391 30.012 3.631 606 H ALA 23 H ALA 23 11.015 26.171 3.217 607 HA ALA 23 HA ALA 23 8.511 25.048 3.540 608 1HB ALA 23 1HB ALA 23 10.327 24.275 5.657 609 2HB ALA 23 2HB ALA 23 11.132 24.351 4.089 610 3HB ALA 23 3HB ALA 23 9.707 23.332 4.301 611 H ALA 24 H ALA 24 10.342 27.102 5.768 612 HA ALA 24 HA ALA 24 8.555 26.909 7.952 613 1HB ALA 24 1HB ALA 24 9.733 28.829 8.858 614 2HB ALA 24 2HB ALA 24 10.469 29.144 7.285 615 3HB ALA 24 3HB ALA 24 10.880 27.677 8.174 616 H THR 25 H THR 25 8.678 28.947 5.115 617 HA THR 25 HA THR 25 6.852 30.932 5.923 618 HB THR 25 HB THR 25 7.638 29.871 3.205 619 HG1 THR 25 HG1 THR 25 8.300 32.203 4.669 620 1HG2 THR 25 1HG2 THR 25 5.500 31.737 3.838 621 2HG2 THR 25 2HG2 THR 25 5.884 30.907 2.327 622 3HG2 THR 25 3HG2 THR 25 6.721 32.402 2.752 623 H PHE 26 H PHE 26 6.457 27.749 4.525 624 HA PHE 26 HA PHE 26 3.696 27.921 3.927 625 1HB PHE 26 1HB PHE 26 5.379 26.150 3.143 626 2HB PHE 26 2HB PHE 26 5.122 25.381 4.706 627 HD1 PHE 26 HD1 PHE 26 3.323 26.564 1.682 628 HD2 PHE 26 HD2 PHE 26 3.338 23.925 5.021 629 HE1 PHE 26 HE1 PHE 26 1.332 25.428 0.789 630 HE2 PHE 26 HE2 PHE 26 1.348 22.783 4.133 631 HZ PHE 26 HZ PHE 26 0.341 23.535 2.014 632 H GLU 27 H GLU 27 5.431 26.573 6.721 633 HA GLU 27 HA GLU 27 3.243 25.710 8.192 634 1HB GLU 27 1HB GLU 27 5.913 26.758 9.132 635 2HB GLU 27 2HB GLU 27 4.745 25.970 10.185 636 1HG GLU 27 1HG GLU 27 4.900 23.938 8.857 637 2HG GLU 27 2HG GLU 27 6.043 24.725 7.771 638 H LYS 28 H LYS 28 4.896 28.867 8.411 639 HA LYS 28 HA LYS 28 3.187 29.892 10.404 640 1HB LYS 28 1HB LYS 28 5.495 30.723 9.759 641 2HB LYS 28 2HB LYS 28 4.724 31.547 8.410 642 1HG LYS 28 1HG LYS 28 3.531 32.986 9.824 643 2HG LYS 28 2HG LYS 28 3.835 31.980 11.242 644 1HD LYS 28 1HD LYS 28 6.064 33.306 9.725 645 2HD LYS 28 2HD LYS 28 5.189 34.137 11.011 646 1HE LYS 28 1HE LYS 28 5.784 32.319 12.559 647 2HE LYS 28 2HE LYS 28 6.697 31.537 11.269 648 1HZ LYS 28 1HZ LYS 28 7.265 34.243 12.357 649 2HZ LYS 28 2HZ LYS 28 8.169 33.428 11.182 650 3HZ LYS 28 3HZ LYS 28 8.111 32.836 12.765 651 H VAL 29 H VAL 29 3.170 30.406 6.859 652 HA VAL 29 HA VAL 29 1.020 32.207 6.829 653 HB VAL 29 HB VAL 29 1.863 30.280 4.662 654 1HG1 VAL 29 1HG1 VAL 29 -0.399 31.167 4.316 655 2HG1 VAL 29 2HG1 VAL 29 0.741 31.801 3.126 656 3HG1 VAL 29 3HG1 VAL 29 0.228 32.810 4.478 657 1HG2 VAL 29 1HG2 VAL 29 2.562 33.140 4.513 658 2HG2 VAL 29 2HG2 VAL 29 3.492 31.715 4.047 659 3HG2 VAL 29 3HG2 VAL 29 3.412 32.202 5.741 660 H VAL 30 H VAL 30 1.077 28.676 6.626 661 HA VAL 30 HA VAL 30 -1.693 28.414 6.048 662 HB VAL 30 HB VAL 30 0.176 26.357 7.234 663 1HG1 VAL 30 1HG1 VAL 30 -2.231 25.847 7.534 664 2HG1 VAL 30 2HG1 VAL 30 -1.410 24.704 6.473 665 3HG1 VAL 30 3HG1 VAL 30 -2.440 25.958 5.788 666 1HG2 VAL 30 1HG2 VAL 30 0.882 25.820 5.143 667 2HG2 VAL 30 2HG2 VAL 30 0.536 27.526 4.865 668 3HG2 VAL 30 3HG2 VAL 30 -0.638 26.298 4.388 669 H LYS 31 H LYS 31 0.150 28.163 9.104 670 HA LYS 31 HA LYS 31 -2.076 27.481 10.691 671 1HB LYS 31 1HB LYS 31 0.444 27.362 11.245 672 2HB LYS 31 2HB LYS 31 0.285 29.057 11.691 673 1HG LYS 31 1HG LYS 31 -1.329 28.511 13.388 674 2HG LYS 31 2HG LYS 31 -1.341 26.822 12.882 675 1HD LYS 31 1HD LYS 31 0.777 26.416 13.739 676 2HD LYS 31 2HD LYS 31 1.220 28.125 13.716 677 1HE LYS 31 1HE LYS 31 -0.440 28.519 15.522 678 2HE LYS 31 2HE LYS 31 -0.722 26.780 15.591 679 1HZ LYS 31 1HZ LYS 31 1.625 26.479 16.144 680 2HZ LYS 31 2HZ LYS 31 0.841 27.450 17.283 681 3HZ LYS 31 3HZ LYS 31 1.855 28.155 16.128 682 H GLN 32 H GLN 32 -0.561 30.593 9.926 683 HA GLN 32 HA GLN 32 -2.250 32.172 11.542 684 1HB GLN 32 1HB GLN 32 -0.032 32.846 10.494 685 2HB GLN 32 2HB GLN 32 -0.919 33.093 8.996 686 1HG GLN 32 1HG GLN 32 -0.878 35.210 9.881 687 2HG GLN 32 2HG GLN 32 -2.438 34.612 10.444 688 1HE2 GLN 32 1HE2 GLN 32 0.721 35.637 11.334 689 2HE2 GLN 32 2HE2 GLN 32 0.493 35.590 13.047 690 H PHE 33 H PHE 33 -2.447 31.232 8.102 691 HA PHE 33 HA PHE 33 -4.763 32.747 7.551 692 1HB PHE 33 1HB PHE 33 -3.551 32.242 5.668 693 2HB PHE 33 2HB PHE 33 -3.200 30.604 6.194 694 HD1 PHE 33 HD1 PHE 33 -6.315 32.557 5.395 695 HD2 PHE 33 HD2 PHE 33 -4.014 29.020 4.838 696 HE1 PHE 33 HE1 PHE 33 -8.037 31.676 3.864 697 HE2 PHE 33 HE2 PHE 33 -5.733 28.129 3.322 698 HZ PHE 33 HZ PHE 33 -7.747 29.453 2.833 699 H PHE 34 H PHE 34 -4.322 29.309 8.359 700 HA PHE 34 HA PHE 34 -7.138 28.826 8.233 701 1HB PHE 34 1HB PHE 34 -4.758 27.157 8.894 702 2HB PHE 34 2HB PHE 34 -6.376 26.569 9.292 703 HD1 PHE 34 HD1 PHE 34 -3.937 26.899 6.722 704 HD2 PHE 34 HD2 PHE 34 -8.125 26.622 7.425 705 HE1 PHE 34 HE1 PHE 34 -4.288 26.262 4.370 706 HE2 PHE 34 HE2 PHE 34 -8.483 25.978 5.080 707 HZ PHE 34 HZ PHE 34 -6.568 25.803 3.546 708 H ASN 35 H ASN 35 -4.918 29.595 10.849 709 HA ASN 35 HA ASN 35 -6.460 28.764 13.016 710 1HB ASN 35 1HB ASN 35 -4.478 30.983 12.664 711 2HB ASN 35 2HB ASN 35 -5.407 30.890 14.157 712 1HD2 ASN 35 1HD2 ASN 35 -4.498 28.004 12.408 713 2HD2 ASN 35 2HD2 ASN 35 -3.318 27.462 13.542 714 H ASP 36 H ASP 36 -6.883 31.482 10.891 715 HA ASP 36 HA ASP 36 -8.674 33.007 12.422 716 1HB ASP 36 1HB ASP 36 -8.206 32.763 9.459 717 2HB ASP 36 2HB ASP 36 -9.444 33.834 10.112 718 H ASN 37 H ASN 37 -9.095 29.991 10.880 719 HA ASN 37 HA ASN 37 -12.022 30.277 10.860 720 1HB ASN 37 1HB ASN 37 -10.569 27.858 9.834 721 2HB ASN 37 2HB ASN 37 -12.159 28.464 9.386 722 1HD2 ASN 37 1HD2 ASN 37 -9.084 28.125 8.371 723 2HD2 ASN 37 2HD2 ASN 37 -9.015 29.389 7.194 724 H GLY 38 H GLY 38 -9.461 28.791 12.639 725 1HA GLY 38 1HA GLY 38 -10.247 28.129 14.920 726 2HA GLY 38 2HA GLY 38 -11.464 27.174 14.091 727 H VAL 39 H VAL 39 -8.376 27.221 12.591 728 HA VAL 39 HA VAL 39 -8.001 24.420 13.278 729 HB VAL 39 HB VAL 39 -6.310 26.132 11.448 730 1HG1 VAL 39 1HG1 VAL 39 -5.087 24.205 12.047 731 2HG1 VAL 39 2HG1 VAL 39 -5.783 23.851 10.466 732 3HG1 VAL 39 3HG1 VAL 39 -6.507 23.168 11.921 733 1HG2 VAL 39 1HG2 VAL 39 -8.735 24.443 10.869 734 2HG2 VAL 39 2HG2 VAL 39 -7.601 24.974 9.628 735 3HG2 VAL 39 3HG2 VAL 39 -8.514 26.164 10.555 736 H ASP 40 H ASP 40 -6.219 23.586 14.394 737 HA ASP 40 HA ASP 40 -4.118 25.353 15.284 738 1HB ASP 40 1HB ASP 40 -6.199 24.275 17.178 739 2HB ASP 40 2HB ASP 40 -4.585 24.718 17.726 740 H GLY 41 H GLY 41 -2.818 24.029 17.095 741 1HA GLY 41 1HA GLY 41 -2.229 21.713 17.731 742 2HA GLY 41 2HA GLY 41 -2.534 21.275 16.056 743 H GLU 42 H GLU 42 -0.500 20.478 15.612 744 HA GLU 42 HA GLU 42 1.547 22.504 15.201 745 1HB GLU 42 1HB GLU 42 1.898 20.112 16.994 746 2HB GLU 42 2HB GLU 42 3.268 20.897 16.220 747 1HG GLU 42 1HG GLU 42 2.449 23.047 17.289 748 2HG GLU 42 2HG GLU 42 1.381 22.031 18.257 749 H TRP 43 H TRP 43 3.250 21.818 13.772 750 HA TRP 43 HA TRP 43 2.293 20.138 11.675 751 1HB TRP 43 1HB TRP 43 4.862 21.629 12.145 752 2HB TRP 43 2HB TRP 43 4.672 20.549 10.767 753 HD1 TRP 43 HD1 TRP 43 3.823 24.007 11.962 754 HE1 TRP 43 HE1 TRP 43 2.523 25.262 10.132 755 HE3 TRP 43 HE3 TRP 43 2.880 20.093 8.809 756 HZ2 TRP 43 HZ2 TRP 43 1.262 24.671 7.674 757 HZ3 TRP 43 HZ3 TRP 43 1.620 20.524 6.740 758 HH2 TRP 43 HH2 TRP 43 0.828 22.765 6.186 759 H THR 44 H THR 44 2.460 18.043 11.482 760 HA THR 44 HA THR 44 4.550 16.650 13.015 761 HB THR 44 HB THR 44 3.039 14.691 13.014 762 HG1 THR 44 HG1 THR 44 1.341 14.687 11.807 763 1HG2 THR 44 1HG2 THR 44 2.934 16.231 14.916 764 2HG2 THR 44 2HG2 THR 44 1.377 15.475 14.576 765 3HG2 THR 44 3HG2 THR 44 1.672 17.144 14.091 766 H TYR 45 H TYR 45 5.820 15.216 12.008 767 HA TYR 45 HA TYR 45 6.056 15.368 9.164 768 1HB TYR 45 1HB TYR 45 7.504 13.853 11.312 769 2HB TYR 45 2HB TYR 45 7.782 13.465 9.618 770 HD1 TYR 45 HD1 TYR 45 8.452 15.800 12.301 771 HD2 TYR 45 HD2 TYR 45 8.712 15.207 8.096 772 HE1 TYR 45 HE1 TYR 45 10.072 17.644 12.146 773 HE2 TYR 45 HE2 TYR 45 10.332 17.048 7.929 774 HH TYR 45 HH TYR 45 10.813 19.294 10.284 775 H ASP 46 H ASP 46 5.590 13.839 7.610 776 HA ASP 46 HA ASP 46 3.429 12.071 8.176 777 1HB ASP 46 1HB ASP 46 5.091 12.650 5.742 778 2HB ASP 46 2HB ASP 46 3.984 11.281 5.749 779 H ASP 47 H ASP 47 3.427 9.750 7.729 780 HA ASP 47 HA ASP 47 5.500 8.406 9.107 781 1HB ASP 47 1HB ASP 47 3.096 7.519 7.545 782 2HB ASP 47 2HB ASP 47 4.284 6.332 8.078 783 H ALA 48 H ALA 48 7.270 7.341 8.411 784 HA ALA 48 HA ALA 48 8.460 7.955 5.983 785 1HB ALA 48 1HB ALA 48 9.422 6.940 8.195 786 2HB ALA 48 2HB ALA 48 10.219 6.643 6.649 787 3HB ALA 48 3HB ALA 48 9.175 5.409 7.355 788 H THR 49 H THR 49 8.644 6.978 4.026 789 HA THR 49 HA THR 49 7.143 4.495 3.565 790 HB THR 49 HB THR 49 7.066 6.842 1.665 791 HG1 THR 49 HG1 THR 49 5.975 7.437 3.534 792 1HG2 THR 49 1HG2 THR 49 5.340 4.385 1.848 793 2HG2 THR 49 2HG2 THR 49 6.581 4.690 0.634 794 3HG2 THR 49 3HG2 THR 49 5.144 5.712 0.703 795 H LYS 50 H LYS 50 7.810 3.316 1.654 796 HA LYS 50 HA LYS 50 10.552 3.995 0.808 797 1HB LYS 50 1HB LYS 50 9.355 1.422 1.709 798 2HB LYS 50 2HB LYS 50 10.559 1.355 0.430 799 1HG LYS 50 1HG LYS 50 12.226 2.285 1.808 800 2HG LYS 50 2HG LYS 50 11.049 2.789 3.021 801 1HD LYS 50 1HD LYS 50 10.561 0.156 3.013 802 2HD LYS 50 2HD LYS 50 12.258 0.131 2.529 803 1HE LYS 50 1HE LYS 50 12.854 1.436 4.494 804 2HE LYS 50 2HE LYS 50 11.158 1.531 4.966 805 1HZ LYS 50 1HZ LYS 50 12.541 -0.209 6.116 806 2HZ LYS 50 2HZ LYS 50 12.576 -1.050 4.648 807 3HZ LYS 50 3HZ LYS 50 11.100 -0.759 5.422 808 H THR 51 H THR 51 11.122 3.633 -1.326 809 HA THR 51 HA THR 51 9.023 2.764 -3.175 810 HB THR 51 HB THR 51 10.481 5.409 -3.233 811 HG1 THR 51 HG1 THR 51 8.345 6.167 -3.458 812 1HG2 THR 51 1HG2 THR 51 10.648 4.513 -5.493 813 2HG2 THR 51 2HG2 THR 51 9.507 5.854 -5.417 814 3HG2 THR 51 3HG2 THR 51 8.914 4.195 -5.503 815 H PHE 52 H PHE 52 9.772 1.424 -4.707 816 HA PHE 52 HA PHE 52 12.581 0.766 -4.732 817 1HB PHE 52 1HB PHE 52 10.746 -0.949 -4.849 818 2HB PHE 52 2HB PHE 52 10.389 -0.373 -6.474 819 HD1 PHE 52 HD1 PHE 52 12.981 -1.968 -4.377 820 HD2 PHE 52 HD2 PHE 52 11.664 -1.071 -8.324 821 HE1 PHE 52 HE1 PHE 52 14.688 -3.486 -5.289 822 HE2 PHE 52 HE2 PHE 52 13.368 -2.589 -9.242 823 HZ PHE 52 HZ PHE 52 14.883 -3.799 -7.723 824 H THR 53 H THR 53 14.039 1.656 -6.029 825 HA THR 53 HA THR 53 13.135 3.178 -8.356 826 HB THR 53 HB THR 53 15.853 3.023 -7.033 827 HG1 THR 53 HG1 THR 53 14.139 4.107 -5.864 828 1HG2 THR 53 1HG2 THR 53 14.990 4.278 -9.526 829 2HG2 THR 53 2HG2 THR 53 16.608 3.874 -8.951 830 3HG2 THR 53 3HG2 THR 53 15.824 5.360 -8.412 831 H VAL 54 H VAL 54 13.273 2.368 -10.354 832 HA VAL 54 HA VAL 54 14.330 -0.234 -10.815 833 HB VAL 54 HB VAL 54 13.648 1.743 -12.980 834 1HG1 VAL 54 1HG1 VAL 54 13.869 -1.230 -12.776 835 2HG1 VAL 54 2HG1 VAL 54 14.542 -0.135 -13.985 836 3HG1 VAL 54 3HG1 VAL 54 12.817 -0.500 -13.989 837 1HG2 VAL 54 1HG2 VAL 54 11.344 0.558 -12.822 838 2HG2 VAL 54 2HG2 VAL 54 11.709 1.885 -11.718 839 3HG2 VAL 54 3HG2 VAL 54 11.827 0.215 -11.160 840 H THR 55 H THR 55 15.992 -0.801 -12.338 841 HA THR 55 HA THR 55 17.939 1.239 -13.027 842 HB THR 55 HB THR 55 18.680 -1.129 -11.303 843 HG1 THR 55 HG1 THR 55 18.619 1.646 -10.727 844 1HG2 THR 55 1HG2 THR 55 20.593 1.056 -11.649 845 2HG2 THR 55 2HG2 THR 55 20.323 0.067 -13.085 846 3HG2 THR 55 3HG2 THR 55 20.850 -0.687 -11.581 847 H GLU 56 H GLU 56 17.967 -2.298 -12.742 848 HA GLU 56 HA GLU 56 18.351 -3.952 -14.256 849 1HB GLU 56 1HB GLU 56 17.267 -1.990 -16.282 850 2HB GLU 56 2HB GLU 56 17.339 -3.740 -16.444 851 1HG GLU 56 1HG GLU 56 15.708 -4.027 -14.713 852 2HG GLU 56 2HG GLU 56 15.724 -2.301 -14.353 853 1H MET 1 1H MET 1 4.447 0.798 8.416 854 2H MET 1 2H MET 1 5.839 0.095 9.131 855 3H MET 1 3H MET 1 4.871 -0.820 8.046 856 HA MET 1 HA MET 1 6.416 1.591 7.378 857 1HB MET 1 1HB MET 1 7.443 -0.828 7.926 858 2HB MET 1 2HB MET 1 6.994 -1.096 6.248 859 1HG MET 1 1HG MET 1 8.609 1.289 7.062 860 2HG MET 1 2HG MET 1 9.363 -0.277 6.769 861 1HE MET 1 1HE MET 1 8.875 2.875 5.644 862 2HE MET 1 2HE MET 1 7.366 2.764 4.741 863 3HE MET 1 3HE MET 1 8.902 2.874 3.881 864 H GLN 2 H GLN 2 5.573 2.621 5.706 865 HA GLN 2 HA GLN 2 3.573 1.323 4.042 866 1HB GLN 2 1HB GLN 2 3.395 3.702 4.976 867 2HB GLN 2 2HB GLN 2 4.576 4.150 3.755 868 1HG GLN 2 1HG GLN 2 3.100 3.553 1.991 869 2HG GLN 2 2HG GLN 2 1.965 2.806 3.115 870 1HE2 GLN 2 1HE2 GLN 2 2.746 5.580 1.419 871 2HE2 GLN 2 2HE2 GLN 2 1.684 6.684 2.217 872 H TYR 3 H TYR 3 4.022 0.401 2.158 873 HA TYR 3 HA TYR 3 6.593 1.027 0.884 874 1HB TYR 3 1HB TYR 3 4.936 -1.467 0.998 875 2HB TYR 3 2HB TYR 3 6.076 -1.226 -0.324 876 HD1 TYR 3 HD1 TYR 3 5.680 -2.139 3.142 877 HD2 TYR 3 HD2 TYR 3 8.511 -0.911 0.213 878 HE1 TYR 3 HE1 TYR 3 7.505 -2.957 4.572 879 HE2 TYR 3 HE2 TYR 3 10.344 -1.726 1.635 880 HH TYR 3 HH TYR 3 10.613 -3.449 3.486 881 H LYS 4 H LYS 4 6.657 1.953 -0.997 882 HA LYS 4 HA LYS 4 4.167 2.241 -2.543 883 1HB LYS 4 1HB LYS 4 6.574 3.987 -2.201 884 2HB LYS 4 2HB LYS 4 5.628 4.110 -3.679 885 1HG LYS 4 1HG LYS 4 3.645 4.656 -2.408 886 2HG LYS 4 2HG LYS 4 4.529 4.441 -0.895 887 1HD LYS 4 1HD LYS 4 5.909 6.328 -1.338 888 2HD LYS 4 2HD LYS 4 5.326 6.443 -3.000 889 1HE LYS 4 1HE LYS 4 3.229 7.241 -2.330 890 2HE LYS 4 2HE LYS 4 3.460 6.706 -0.665 891 1HZ LYS 4 1HZ LYS 4 4.987 8.436 -0.268 892 2HZ LYS 4 2HZ LYS 4 3.686 9.158 -1.073 893 3HZ LYS 4 3HZ LYS 4 5.116 8.823 -1.911 894 H VAL 5 H VAL 5 3.982 1.237 -4.424 895 HA VAL 5 HA VAL 5 6.386 0.613 -5.981 896 HB VAL 5 HB VAL 5 4.283 -1.477 -5.419 897 1HG1 VAL 5 1HG1 VAL 5 5.743 -2.996 -6.538 898 2HG1 VAL 5 2HG1 VAL 5 7.015 -1.779 -6.652 899 3HG1 VAL 5 3HG1 VAL 5 5.530 -1.593 -7.585 900 1HG2 VAL 5 1HG2 VAL 5 6.978 -1.034 -4.157 901 2HG2 VAL 5 2HG2 VAL 5 6.136 -2.583 -4.109 902 3HG2 VAL 5 3HG2 VAL 5 5.410 -1.160 -3.361 903 H ILE 6 H ILE 6 6.121 1.067 -8.069 904 HA ILE 6 HA ILE 6 3.439 1.671 -9.050 905 HB ILE 6 HB ILE 6 6.065 2.102 -10.471 906 1HG1 ILE 6 1HG1 ILE 6 4.495 4.081 -8.806 907 2HG1 ILE 6 2HG1 ILE 6 5.981 3.294 -8.286 908 1HG2 ILE 6 1HG2 ILE 6 4.840 3.633 -11.858 909 2HG2 ILE 6 2HG2 ILE 6 3.387 3.421 -10.880 910 3HG2 ILE 6 3HG2 ILE 6 4.003 2.081 -11.849 911 1HD1 ILE 6 1HD1 ILE 6 6.422 5.540 -9.065 912 2HD1 ILE 6 2HD1 ILE 6 5.688 5.165 -10.623 913 3HD1 ILE 6 3HD1 ILE 6 7.179 4.360 -10.134 914 H LEU 7 H LEU 7 2.335 0.176 -10.143 915 HA LEU 7 HA LEU 7 3.810 -1.672 -11.882 916 1HB LEU 7 1HB LEU 7 2.792 -2.501 -9.508 917 2HB LEU 7 2HB LEU 7 1.421 -2.789 -10.562 918 HG LEU 7 HG LEU 7 2.931 -4.136 -12.043 919 1HD1 LEU 7 1HD1 LEU 7 4.997 -2.982 -10.951 920 2HD1 LEU 7 2HD1 LEU 7 5.094 -4.664 -11.471 921 3HD1 LEU 7 3HD1 LEU 7 4.852 -4.280 -9.767 922 1HD2 LEU 7 1HD2 LEU 7 2.542 -5.000 -9.183 923 2HD2 LEU 7 2HD2 LEU 7 3.034 -6.085 -10.485 924 3HD2 LEU 7 3HD2 LEU 7 1.463 -5.288 -10.548 925 H ASN 8 H ASN 8 3.139 -1.351 -13.884 926 HA ASN 8 HA ASN 8 0.306 -1.301 -14.487 927 1HB ASN 8 1HB ASN 8 0.954 1.092 -14.084 928 2HB ASN 8 2HB ASN 8 2.074 0.956 -15.437 929 1HD2 ASN 8 1HD2 ASN 8 -1.329 0.338 -14.649 930 2HD2 ASN 8 2HD2 ASN 8 -1.957 0.912 -16.154 931 H GLY 9 H GLY 9 3.408 -0.540 -16.040 932 1HA GLY 9 1HA GLY 9 4.464 -1.469 -17.855 933 2HA GLY 9 2HA GLY 9 3.483 -2.902 -17.593 934 H LYS 10 H LYS 10 4.083 -0.276 -19.612 935 HA LYS 10 HA LYS 10 1.666 -0.894 -21.170 936 1HB LYS 10 1HB LYS 10 1.601 1.360 -19.988 937 2HB LYS 10 2HB LYS 10 2.914 1.848 -21.052 938 1HG LYS 10 1HG LYS 10 1.308 1.076 -22.946 939 2HG LYS 10 2HG LYS 10 0.064 1.264 -21.708 940 1HD LYS 10 1HD LYS 10 2.048 3.429 -22.362 941 2HD LYS 10 2HD LYS 10 0.498 3.276 -23.191 942 1HE LYS 10 1HE LYS 10 -0.141 4.695 -21.537 943 2HE LYS 10 2HE LYS 10 -0.382 3.171 -20.684 944 1HZ LYS 10 1HZ LYS 10 0.829 4.439 -19.197 945 2HZ LYS 10 2HZ LYS 10 1.814 5.118 -20.395 946 3HZ LYS 10 3HZ LYS 10 2.032 3.505 -19.935 947 H THR 11 H THR 11 1.889 -0.839 -23.426 948 HA THR 11 HA THR 11 4.368 -1.701 -24.429 949 HB THR 11 HB THR 11 3.322 -1.528 -26.646 950 HG1 THR 11 HG1 THR 11 1.193 -0.257 -25.272 951 1HG2 THR 11 1HG2 THR 11 1.126 -2.464 -24.856 952 2HG2 THR 11 2HG2 THR 11 2.650 -3.348 -24.948 953 3HG2 THR 11 3HG2 THR 11 1.672 -3.119 -26.399 954 H LEU 12 H LEU 12 5.222 -0.572 -26.558 955 HA LEU 12 HA LEU 12 5.788 2.226 -25.834 956 1HB LEU 12 1HB LEU 12 7.501 0.429 -27.542 957 2HB LEU 12 2HB LEU 12 7.931 1.993 -26.879 958 HG LEU 12 HG LEU 12 7.429 -0.492 -25.238 959 1HD1 LEU 12 1HD1 LEU 12 9.718 -0.810 -25.074 960 2HD1 LEU 12 2HD1 LEU 12 10.088 0.825 -25.620 961 3HD1 LEU 12 3HD1 LEU 12 9.506 -0.377 -26.770 962 1HD2 LEU 12 1HD2 LEU 12 7.994 0.729 -23.354 963 2HD2 LEU 12 2HD2 LEU 12 7.017 1.877 -24.270 964 3HD2 LEU 12 3HD2 LEU 12 8.776 2.004 -24.288 965 H LYS 13 H LYS 13 3.492 1.445 -27.329 966 HA LYS 13 HA LYS 13 2.369 1.795 -29.282 967 1HB LYS 13 1HB LYS 13 2.626 4.028 -30.195 968 2HB LYS 13 2HB LYS 13 2.688 4.082 -28.441 969 1HG LYS 13 1HG LYS 13 5.053 4.384 -28.461 970 2HG LYS 13 2HG LYS 13 5.128 4.086 -30.199 971 1HD LYS 13 1HD LYS 13 4.268 6.149 -30.728 972 2HD LYS 13 2HD LYS 13 3.394 6.294 -29.202 973 1HE LYS 13 1HE LYS 13 5.762 6.395 -28.148 974 2HE LYS 13 2HE LYS 13 6.288 6.794 -29.784 975 1HZ LYS 13 1HZ LYS 13 5.725 8.709 -28.239 976 2HZ LYS 13 2HZ LYS 13 4.103 8.278 -28.455 977 3HZ LYS 13 3HZ LYS 13 5.037 8.747 -29.784 978 H GLY 14 H GLY 14 4.468 -0.015 -29.652 979 1HA GLY 14 1HA GLY 14 4.628 -0.143 -32.433 980 2HA GLY 14 2HA GLY 14 6.120 0.594 -31.865 981 H GLU 15 H GLU 15 6.648 -0.758 -29.573 982 HA GLU 15 HA GLU 15 7.284 -3.416 -30.604 983 1HB GLU 15 1HB GLU 15 8.368 -1.745 -28.349 984 2HB GLU 15 2HB GLU 15 8.738 -3.459 -28.475 985 1HG GLU 15 1HG GLU 15 10.541 -2.355 -29.475 986 2HG GLU 15 2HG GLU 15 9.569 -2.969 -30.812 987 H THR 16 H THR 16 5.087 -4.182 -30.334 988 HA THR 16 HA THR 16 3.733 -4.264 -27.885 989 HB THR 16 HB THR 16 2.633 -4.725 -30.018 990 HG1 THR 16 HG1 THR 16 1.340 -5.691 -28.686 991 1HG2 THR 16 1HG2 THR 16 3.273 -7.485 -30.337 992 2HG2 THR 16 2HG2 THR 16 4.743 -6.517 -30.460 993 3HG2 THR 16 3HG2 THR 16 3.370 -6.171 -31.511 994 H THR 17 H THR 17 4.432 -5.142 -26.064 995 HA THR 17 HA THR 17 5.890 -7.700 -26.199 996 HB THR 17 HB THR 17 6.712 -6.931 -23.853 997 HG1 THR 17 HG1 THR 17 5.946 -5.064 -23.317 998 1HG2 THR 17 1HG2 THR 17 8.089 -5.085 -25.532 999 2HG2 THR 17 2HG2 THR 17 7.787 -6.577 -26.422 1000 3HG2 THR 17 3HG2 THR 17 8.641 -6.627 -24.880 1001 H THR 18 H THR 18 5.468 -9.244 -24.530 1002 HA THR 18 HA THR 18 2.750 -9.584 -23.935 1003 HB THR 18 HB THR 18 3.623 -11.359 -22.319 1004 HG1 THR 18 HG1 THR 18 5.621 -10.905 -21.780 1005 1HG2 THR 18 1HG2 THR 18 3.104 -11.745 -24.768 1006 2HG2 THR 18 2HG2 THR 18 4.207 -12.884 -23.994 1007 3HG2 THR 18 3HG2 THR 18 4.842 -11.617 -25.043 1008 H GLU 19 H GLU 19 1.935 -9.969 -21.638 1009 HA GLU 19 HA GLU 19 2.297 -7.517 -20.166 1010 1HB GLU 19 1HB GLU 19 0.551 -8.539 -18.647 1011 2HB GLU 19 2HB GLU 19 0.059 -8.290 -20.316 1012 1HG GLU 19 1HG GLU 19 -0.039 -10.519 -20.771 1013 2HG GLU 19 2HG GLU 19 1.187 -10.932 -19.572 1014 H ALA 20 H ALA 20 3.564 -7.205 -18.459 1015 HA ALA 20 HA ALA 20 4.688 -9.569 -17.106 1016 1HB ALA 20 1HB ALA 20 6.552 -7.712 -16.595 1017 2HB ALA 20 2HB ALA 20 5.978 -7.135 -18.158 1018 3HB ALA 20 3HB ALA 20 6.604 -8.776 -18.000 1019 H VAL 21 H VAL 21 4.718 -6.092 -16.412 1020 HA VAL 21 HA VAL 21 3.958 -6.677 -13.653 1021 HB VAL 21 HB VAL 21 4.458 -4.218 -13.307 1022 1HG1 VAL 21 1HG1 VAL 21 6.044 -6.284 -13.065 1023 2HG1 VAL 21 2HG1 VAL 21 6.688 -4.646 -12.941 1024 3HG1 VAL 21 3HG1 VAL 21 6.871 -5.555 -14.442 1025 1HG2 VAL 21 1HG2 VAL 21 6.034 -4.172 -15.798 1026 2HG2 VAL 21 2HG2 VAL 21 5.174 -2.871 -14.973 1027 3HG2 VAL 21 3HG2 VAL 21 4.288 -4.007 -15.990 1028 H ASP 22 H ASP 22 1.751 -7.135 -13.946 1029 HA ASP 22 HA ASP 22 0.065 -4.929 -14.895 1030 1HB ASP 22 1HB ASP 22 -0.263 -7.178 -15.908 1031 2HB ASP 22 2HB ASP 22 -0.712 -7.792 -14.320 1032 H ALA 23 H ALA 23 -1.486 -4.007 -13.693 1033 HA ALA 23 HA ALA 23 -1.143 -3.697 -10.968 1034 1HB ALA 23 1HB ALA 23 -3.893 -3.275 -11.771 1035 2HB ALA 23 2HB ALA 23 -2.752 -2.619 -12.945 1036 3HB ALA 23 3HB ALA 23 -2.673 -2.107 -11.257 1037 H ALA 24 H ALA 24 -3.319 -5.881 -12.709 1038 HA ALA 24 HA ALA 24 -4.688 -6.873 -10.442 1039 1HB ALA 24 1HB ALA 24 -5.469 -8.644 -11.910 1040 2HB ALA 24 2HB ALA 24 -4.243 -8.223 -13.104 1041 3HB ALA 24 3HB ALA 24 -5.543 -7.089 -12.738 1042 H THR 25 H THR 25 -1.686 -7.736 -12.013 1043 HA THR 25 HA THR 25 -1.279 -10.254 -10.821 1044 HB THR 25 HB THR 25 0.632 -8.181 -11.905 1045 HG1 THR 25 HG1 THR 25 -0.363 -10.639 -12.896 1046 1HG2 THR 25 1HG2 THR 25 1.281 -10.606 -10.440 1047 2HG2 THR 25 2HG2 THR 25 2.305 -9.249 -10.914 1048 3HG2 THR 25 3HG2 THR 25 1.978 -10.550 -12.060 1049 H PHE 26 H PHE 26 -0.640 -6.982 -9.764 1050 HA PHE 26 HA PHE 26 0.936 -7.598 -7.497 1051 1HB PHE 26 1HB PHE 26 0.610 -5.318 -8.625 1052 2HB PHE 26 2HB PHE 26 -0.890 -5.209 -7.709 1053 HD1 PHE 26 HD1 PHE 26 2.768 -5.694 -7.308 1054 HD2 PHE 26 HD2 PHE 26 -0.879 -4.422 -5.523 1055 HE1 PHE 26 HE1 PHE 26 4.019 -4.837 -5.371 1056 HE2 PHE 26 HE2 PHE 26 0.366 -3.562 -3.583 1057 HZ PHE 26 HZ PHE 26 2.819 -3.769 -3.505 1058 H GLU 27 H GLU 27 -2.532 -6.903 -7.849 1059 HA GLU 27 HA GLU 27 -3.274 -7.141 -5.186 1060 1HB GLU 27 1HB GLU 27 -4.834 -7.771 -7.691 1061 2HB GLU 27 2HB GLU 27 -5.550 -7.692 -6.088 1062 1HG GLU 27 1HG GLU 27 -4.898 -5.356 -5.897 1063 2HG GLU 27 2HG GLU 27 -4.142 -5.429 -7.488 1064 H LYS 28 H LYS 28 -3.311 -9.690 -7.685 1065 HA LYS 28 HA LYS 28 -4.244 -11.709 -5.954 1066 1HB LYS 28 1HB LYS 28 -4.296 -11.692 -8.490 1067 2HB LYS 28 2HB LYS 28 -2.606 -12.171 -8.438 1068 1HG LYS 28 1HG LYS 28 -3.105 -14.244 -7.468 1069 2HG LYS 28 2HG LYS 28 -4.734 -13.735 -7.018 1070 1HD LYS 28 1HD LYS 28 -3.854 -13.892 -9.886 1071 2HD LYS 28 2HD LYS 28 -4.498 -15.295 -9.030 1072 1HE LYS 28 1HE LYS 28 -6.544 -14.023 -8.532 1073 2HE LYS 28 2HE LYS 28 -5.900 -12.655 -9.438 1074 1HZ LYS 28 1HZ LYS 28 -6.433 -15.346 -10.575 1075 2HZ LYS 28 2HZ LYS 28 -5.898 -13.988 -11.429 1076 3HZ LYS 28 3HZ LYS 28 -7.446 -14.002 -10.747 1077 H VAL 29 H VAL 29 -0.920 -10.979 -7.071 1078 HA VAL 29 HA VAL 29 0.316 -13.125 -5.753 1079 HB VAL 29 HB VAL 29 1.500 -10.435 -6.445 1080 1HG1 VAL 29 1HG1 VAL 29 2.842 -11.669 -4.802 1081 2HG1 VAL 29 2HG1 VAL 29 3.655 -11.566 -6.365 1082 3HG1 VAL 29 3HG1 VAL 29 2.865 -13.066 -5.880 1083 1HG2 VAL 29 1HG2 VAL 29 2.069 -12.819 -8.084 1084 2HG2 VAL 29 2HG2 VAL 29 1.813 -11.142 -8.567 1085 3HG2 VAL 29 3HG2 VAL 29 0.432 -12.174 -8.202 1086 H VAL 30 H VAL 30 -0.369 -9.830 -4.663 1087 HA VAL 30 HA VAL 30 1.087 -10.062 -2.234 1088 HB VAL 30 HB VAL 30 -1.150 -8.141 -2.901 1089 1HG1 VAL 30 1HG1 VAL 30 -0.675 -8.359 -0.478 1090 2HG1 VAL 30 2HG1 VAL 30 -0.287 -6.762 -1.117 1091 3HG1 VAL 30 3HG1 VAL 30 1.003 -7.921 -0.798 1092 1HG2 VAL 30 1HG2 VAL 30 0.352 -6.775 -3.919 1093 2HG2 VAL 30 2HG2 VAL 30 1.137 -8.317 -4.261 1094 3HG2 VAL 30 3HG2 VAL 30 1.696 -7.323 -2.917 1095 H LYS 31 H LYS 31 -2.391 -10.427 -2.984 1096 HA LYS 31 HA LYS 31 -3.182 -10.878 -0.317 1097 1HB LYS 31 1HB LYS 31 -4.620 -10.353 -2.397 1098 2HB LYS 31 2HB LYS 31 -4.556 -12.081 -2.707 1099 1HG LYS 31 1HG LYS 31 -5.635 -12.550 -0.611 1100 2HG LYS 31 2HG LYS 31 -5.580 -10.843 -0.161 1101 1HD LYS 31 1HD LYS 31 -7.213 -10.255 -1.701 1102 2HD LYS 31 2HD LYS 31 -6.944 -11.694 -2.685 1103 1HE LYS 31 1HE LYS 31 -7.877 -13.062 -0.834 1104 2HE LYS 31 2HE LYS 31 -8.256 -11.572 0.026 1105 1HZ LYS 31 1HZ LYS 31 -9.673 -10.920 -1.838 1106 2HZ LYS 31 2HZ LYS 31 -10.183 -12.380 -1.151 1107 3HZ LYS 31 3HZ LYS 31 -9.338 -12.386 -2.617 1108 H GLN 32 H GLN 32 -2.293 -13.086 -2.943 1109 HA GLN 32 HA GLN 32 -2.760 -15.475 -1.519 1110 1HB GLN 32 1HB GLN 32 -2.455 -15.201 -4.030 1111 2HB GLN 32 2HB GLN 32 -0.725 -15.132 -3.720 1112 1HG GLN 32 1HG GLN 32 -1.030 -17.347 -4.233 1113 2HG GLN 32 2HG GLN 32 -1.116 -17.369 -2.473 1114 1HE2 GLN 32 1HE2 GLN 32 -2.815 -17.841 -5.425 1115 2HE2 GLN 32 2HE2 GLN 32 -4.287 -18.434 -4.739 1116 H PHE 33 H PHE 33 0.185 -13.503 -1.954 1117 HA PHE 33 HA PHE 33 1.881 -15.250 -0.527 1118 1HB PHE 33 1HB PHE 33 3.020 -13.864 -1.958 1119 2HB PHE 33 2HB PHE 33 2.026 -12.468 -1.578 1120 HD1 PHE 33 HD1 PHE 33 4.339 -14.720 0.352 1121 HD2 PHE 33 HD2 PHE 33 3.160 -10.762 -0.675 1122 HE1 PHE 33 HE1 PHE 33 6.127 -13.815 1.789 1123 HE2 PHE 33 HE2 PHE 33 4.934 -9.851 0.765 1124 HZ PHE 33 HZ PHE 33 6.419 -11.373 2.001 1125 H PHE 34 H PHE 34 0.169 -12.291 0.457 1126 HA PHE 34 HA PHE 34 1.182 -12.486 3.125 1127 1HB PHE 34 1HB PHE 34 -0.673 -10.619 1.724 1128 2HB PHE 34 2HB PHE 34 -0.591 -10.608 3.489 1129 HD1 PHE 34 HD1 PHE 34 0.927 -9.453 0.485 1130 HD2 PHE 34 HD2 PHE 34 1.736 -10.443 4.542 1131 HE1 PHE 34 HE1 PHE 34 3.020 -8.161 0.380 1132 HE2 PHE 34 HE2 PHE 34 3.823 -9.149 4.450 1133 HZ PHE 34 HZ PHE 34 4.474 -8.011 2.367 1134 H ASN 35 H ASN 35 -1.792 -13.538 1.571 1135 HA ASN 35 HA ASN 35 -3.389 -13.886 3.828 1136 1HB ASN 35 1HB ASN 35 -3.253 -15.309 1.196 1137 2HB ASN 35 2HB ASN 35 -4.286 -15.952 2.468 1138 1HD2 ASN 35 1HD2 ASN 35 -3.730 -12.516 2.153 1139 2HD2 ASN 35 2HD2 ASN 35 -5.310 -12.123 1.580 1140 H ASP 36 H ASP 36 -0.668 -15.740 2.714 1141 HA ASP 36 HA ASP 36 -1.035 -18.077 4.225 1142 1HB ASP 36 1HB ASP 36 1.407 -16.740 3.084 1143 2HB ASP 36 2HB ASP 36 1.523 -18.232 4.013 1144 H ASN 37 H ASN 37 -0.217 -14.913 5.209 1145 HA ASN 37 HA ASN 37 0.924 -15.870 7.744 1146 1HB ASN 37 1HB ASN 37 0.745 -12.972 6.978 1147 2HB ASN 37 2HB ASN 37 1.867 -13.756 8.084 1148 1HD2 ASN 37 1HD2 ASN 37 1.590 -12.364 5.153 1149 2HD2 ASN 37 2HD2 ASN 37 2.931 -13.098 4.345 1150 H GLY 38 H GLY 38 -1.959 -14.503 6.422 1151 1HA GLY 38 1HA GLY 38 -3.890 -14.862 7.972 1152 2HA GLY 38 2HA GLY 38 -2.933 -14.006 9.168 1153 H VAL 39 H VAL 39 -2.683 -12.797 5.963 1154 HA VAL 39 HA VAL 39 -4.112 -10.393 6.760 1155 HB VAL 39 HB VAL 39 -2.662 -10.924 4.162 1156 1HG1 VAL 39 1HG1 VAL 39 -4.104 -9.079 3.872 1157 2HG1 VAL 39 2HG1 VAL 39 -2.513 -8.389 4.196 1158 3HG1 VAL 39 3HG1 VAL 39 -3.729 -8.435 5.471 1159 1HG2 VAL 39 1HG2 VAL 39 -1.669 -9.775 6.761 1160 2HG2 VAL 39 2HG2 VAL 39 -0.832 -9.565 5.224 1161 3HG2 VAL 39 3HG2 VAL 39 -1.054 -11.181 5.894 1162 H ASP 40 H ASP 40 -5.960 -9.584 5.739 1163 HA ASP 40 HA ASP 40 -7.096 -10.987 3.487 1164 1HB ASP 40 1HB ASP 40 -8.311 -11.148 6.239 1165 2HB ASP 40 2HB ASP 40 -9.282 -11.347 4.785 1166 H GLY 41 H GLY 41 -9.516 -10.084 3.254 1167 1HA GLY 41 1HA GLY 41 -10.858 -8.050 3.680 1168 2HA GLY 41 2HA GLY 41 -9.344 -7.158 3.651 1169 H GLU 42 H GLU 42 -9.866 -5.795 1.966 1170 HA GLU 42 HA GLU 42 -9.749 -7.007 -0.675 1171 1HB GLU 42 1HB GLU 42 -12.064 -5.351 0.305 1172 2HB GLU 42 2HB GLU 42 -11.674 -5.476 -1.406 1173 1HG GLU 42 1HG GLU 42 -11.827 -7.990 -1.103 1174 2HG GLU 42 2HG GLU 42 -12.558 -7.647 0.465 1175 H TRP 43 H TRP 43 -9.242 -5.487 -2.364 1176 HA TRP 43 HA TRP 43 -7.408 -3.480 -1.499 1177 1HB TRP 43 1HB TRP 43 -8.402 -4.377 -4.192 1178 2HB TRP 43 2HB TRP 43 -7.350 -2.974 -4.027 1179 HD1 TRP 43 HD1 TRP 43 -7.292 -6.728 -4.112 1180 HE1 TRP 43 HE1 TRP 43 -4.872 -7.563 -3.861 1181 HE3 TRP 43 HE3 TRP 43 -5.049 -2.328 -2.787 1182 HZ2 TRP 43 HZ2 TRP 43 -2.344 -6.498 -3.188 1183 HZ3 TRP 43 HZ3 TRP 43 -2.626 -2.322 -2.357 1184 HH2 TRP 43 HH2 TRP 43 -1.303 -4.365 -2.553 1185 H THR 44 H THR 44 -7.798 -1.468 -0.992 1186 HA THR 44 HA THR 44 -10.270 -0.218 -1.988 1187 HB THR 44 HB THR 44 -10.195 1.201 0.037 1188 HG1 THR 44 HG1 THR 44 -8.491 1.208 1.236 1189 1HG2 THR 44 1HG2 THR 44 -11.499 -0.870 0.124 1190 2HG2 THR 44 2HG2 THR 44 -10.815 -0.439 1.691 1191 3HG2 THR 44 3HG2 THR 44 -10.080 -1.722 0.731 1192 H TYR 45 H TYR 45 -10.164 1.733 -2.921 1193 HA TYR 45 HA TYR 45 -7.650 2.614 -3.953 1194 1HB TYR 45 1HB TYR 45 -10.472 3.613 -4.163 1195 2HB TYR 45 2HB TYR 45 -9.140 4.607 -4.741 1196 HD1 TYR 45 HD1 TYR 45 -11.238 1.733 -5.407 1197 HD2 TYR 45 HD2 TYR 45 -7.688 3.763 -6.582 1198 HE1 TYR 45 HE1 TYR 45 -11.242 0.498 -7.534 1199 HE2 TYR 45 HE2 TYR 45 -7.683 2.533 -8.712 1200 HH TYR 45 HH TYR 45 -9.433 -0.192 -9.266 1201 H ASP 46 H ASP 46 -6.450 4.420 -3.436 1202 HA ASP 46 HA ASP 46 -6.605 5.317 -0.737 1203 1HB ASP 46 1HB ASP 46 -4.872 6.015 -3.090 1204 2HB ASP 46 2HB ASP 46 -4.807 6.991 -1.625 1205 H ASP 47 H ASP 47 -6.756 7.579 -0.070 1206 HA ASP 47 HA ASP 47 -9.068 8.835 -1.108 1207 1HB ASP 47 1HB ASP 47 -7.007 9.593 0.935 1208 2HB ASP 47 2HB ASP 47 -8.202 10.776 0.412 1209 H ALA 48 H ALA 48 -9.336 10.467 -2.532 1210 HA ALA 48 HA ALA 48 -7.429 11.015 -4.468 1211 1HB ALA 48 1HB ALA 48 -10.013 11.421 -4.394 1212 2HB ALA 48 2HB ALA 48 -8.978 12.407 -5.429 1213 3HB ALA 48 3HB ALA 48 -9.534 13.039 -3.880 1214 H THR 49 H THR 49 -5.968 12.611 -4.833 1215 HA THR 49 HA THR 49 -5.606 14.665 -2.766 1216 HB THR 49 HB THR 49 -3.304 13.154 -4.003 1217 HG1 THR 49 HG1 THR 49 -4.450 11.717 -2.716 1218 1HG2 THR 49 1HG2 THR 49 -3.433 14.912 -1.566 1219 2HG2 THR 49 2HG2 THR 49 -2.713 15.342 -3.118 1220 3HG2 THR 49 3HG2 THR 49 -2.013 14.045 -2.151 1221 H LYS 50 H LYS 50 -4.408 16.544 -3.483 1222 HA LYS 50 HA LYS 50 -4.472 16.872 -6.412 1223 1HB LYS 50 1HB LYS 50 -5.468 18.620 -4.219 1224 2HB LYS 50 2HB LYS 50 -4.766 19.403 -5.627 1225 1HG LYS 50 1HG LYS 50 -6.387 18.493 -7.071 1226 2HG LYS 50 2HG LYS 50 -6.933 17.339 -5.853 1227 1HD LYS 50 1HD LYS 50 -7.384 19.618 -4.521 1228 2HD LYS 50 2HD LYS 50 -7.567 20.213 -6.173 1229 1HE LYS 50 1HE LYS 50 -9.239 18.504 -6.621 1230 2HE LYS 50 2HE LYS 50 -9.028 17.850 -4.999 1231 1HZ LYS 50 1HZ LYS 50 -10.982 19.373 -5.339 1232 2HZ LYS 50 2HZ LYS 50 -9.877 20.644 -5.487 1233 3HZ LYS 50 3HZ LYS 50 -9.966 19.765 -4.044 1234 H THR 51 H THR 51 -2.841 18.061 -7.382 1235 HA THR 51 HA THR 51 -0.625 18.972 -5.698 1236 HB THR 51 HB THR 51 -0.465 16.937 -7.923 1237 HG1 THR 51 HG1 THR 51 0.690 15.808 -6.313 1238 1HG2 THR 51 1HG2 THR 51 1.298 18.555 -8.380 1239 2HG2 THR 51 2HG2 THR 51 1.961 17.033 -7.785 1240 3HG2 THR 51 3HG2 THR 51 1.855 18.427 -6.711 1241 H PHE 52 H PHE 52 0.162 20.889 -6.332 1242 HA PHE 52 HA PHE 52 -0.986 22.171 -8.648 1243 1HB PHE 52 1HB PHE 52 -0.630 23.330 -6.445 1244 2HB PHE 52 2HB PHE 52 1.102 23.269 -6.758 1245 HD1 PHE 52 HD1 PHE 52 -2.105 24.634 -7.983 1246 HD2 PHE 52 HD2 PHE 52 2.141 24.838 -8.170 1247 HE1 PHE 52 HE1 PHE 52 -2.266 26.737 -9.253 1248 HE2 PHE 52 HE2 PHE 52 1.989 26.940 -9.439 1249 HZ PHE 52 HZ PHE 52 -0.217 27.892 -9.982 1250 H THR 53 H THR 53 -0.130 22.154 -10.615 1251 HA THR 53 HA THR 53 2.660 21.340 -10.944 1252 HB THR 53 HB THR 53 0.450 21.684 -12.984 1253 HG1 THR 53 HG1 THR 53 0.279 19.891 -11.486 1254 1HG2 THR 53 1HG2 THR 53 3.309 21.179 -13.304 1255 2HG2 THR 53 2HG2 THR 53 2.111 21.739 -14.471 1256 3HG2 THR 53 3HG2 THR 53 2.263 20.018 -14.121 1257 H VAL 54 H VAL 54 4.216 22.785 -11.335 1258 HA VAL 54 HA VAL 54 3.625 25.563 -11.532 1259 HB VAL 54 HB VAL 54 6.297 24.333 -12.173 1260 1HG1 VAL 54 1HG1 VAL 54 5.321 27.021 -11.305 1261 2HG1 VAL 54 2HG1 VAL 54 6.426 26.597 -12.613 1262 3HG1 VAL 54 3HG1 VAL 54 6.971 26.515 -10.938 1263 1HG2 VAL 54 1HG2 VAL 54 6.702 24.801 -9.653 1264 2HG2 VAL 54 2HG2 VAL 54 5.893 23.309 -10.133 1265 3HG2 VAL 54 3HG2 VAL 54 4.948 24.668 -9.523 1266 H THR 55 H THR 55 4.260 26.994 -13.248 1267 HA THR 55 HA THR 55 4.669 25.840 -15.881 1268 HB THR 55 HB THR 55 2.278 27.590 -15.279 1269 HG1 THR 55 HG1 THR 55 2.446 24.855 -16.007 1270 1HG2 THR 55 1HG2 THR 55 2.426 26.177 -17.837 1271 2HG2 THR 55 2HG2 THR 55 3.577 27.500 -17.647 1272 3HG2 THR 55 3HG2 THR 55 1.849 27.799 -17.460 1273 H GLU 56 H GLU 56 3.553 28.968 -14.627 1274 HA GLU 56 HA GLU 56 4.383 31.078 -14.821 1275 1HB GLU 56 1HB GLU 56 7.069 29.717 -15.059 1276 2HB GLU 56 2HB GLU 56 6.770 31.379 -14.574 1277 1HG GLU 56 1HG GLU 56 5.730 30.661 -12.539 1278 2HG GLU 56 2HG GLU 56 5.815 28.973 -13.043 1279 1H MET 1 1H MET 1 1.093 3.328 -12.014 1280 2H MET 1 2H MET 1 -0.042 2.462 -12.968 1281 3H MET 1 3H MET 1 1.211 1.623 -12.149 1282 HA MET 1 HA MET 1 -0.978 3.132 -10.890 1283 1HB MET 1 1HB MET 1 -1.217 0.777 -12.158 1284 2HB MET 1 2HB MET 1 -0.630 0.194 -10.608 1285 1HG MET 1 1HG MET 1 -2.947 2.081 -10.779 1286 2HG MET 1 2HG MET 1 -3.158 0.342 -10.985 1287 1HE MET 1 1HE MET 1 -3.622 3.030 -8.980 1288 2HE MET 1 2HE MET 1 -2.112 3.137 -8.075 1289 3HE MET 1 3HE MET 1 -3.565 2.514 -7.295 1290 H GLN 2 H GLN 2 -0.417 3.848 -8.954 1291 HA GLN 2 HA GLN 2 1.963 2.815 -7.640 1292 1HB GLN 2 1HB GLN 2 1.352 5.295 -7.842 1293 2HB GLN 2 2HB GLN 2 0.146 4.984 -6.601 1294 1HG GLN 2 1HG GLN 2 1.814 4.393 -5.015 1295 2HG GLN 2 2HG GLN 2 3.071 4.391 -6.250 1296 1HE2 GLN 2 1HE2 GLN 2 1.546 6.175 -3.868 1297 2HE2 GLN 2 2HE2 GLN 2 2.177 7.736 -4.264 1298 H TYR 3 H TYR 3 1.913 1.300 -6.122 1299 HA TYR 3 HA TYR 3 -0.666 0.701 -4.846 1300 1HB TYR 3 1HB TYR 3 1.680 -1.009 -5.591 1301 2HB TYR 3 2HB TYR 3 0.584 -1.525 -4.313 1302 HD1 TYR 3 HD1 TYR 3 1.088 -1.235 -7.870 1303 HD2 TYR 3 HD2 TYR 3 -1.850 -1.844 -4.855 1304 HE1 TYR 3 HE1 TYR 3 -0.454 -2.134 -9.562 1305 HE2 TYR 3 HE2 TYR 3 -3.400 -2.746 -6.537 1306 HH TYR 3 HH TYR 3 -3.199 -3.861 -8.815 1307 H LYS 4 H LYS 4 -0.928 0.980 -2.784 1308 HA LYS 4 HA LYS 4 1.419 1.572 -1.103 1309 1HB LYS 4 1HB LYS 4 -1.426 2.502 -1.041 1310 2HB LYS 4 2HB LYS 4 -0.497 2.484 0.452 1311 1HG LYS 4 1HG LYS 4 1.155 3.961 -0.517 1312 2HG LYS 4 2HG LYS 4 0.312 3.924 -2.067 1313 1HD LYS 4 1HD LYS 4 -1.564 5.078 -1.167 1314 2HD LYS 4 2HD LYS 4 -0.970 4.887 0.484 1315 1HE LYS 4 1HE LYS 4 0.740 6.455 0.170 1316 2HE LYS 4 2HE LYS 4 0.611 6.375 -1.587 1317 1HZ LYS 4 1HZ LYS 4 -1.393 7.584 -1.546 1318 2HZ LYS 4 2HZ LYS 4 -0.350 8.408 -0.502 1319 3HZ LYS 4 3HZ LYS 4 -1.567 7.418 0.129 1320 H VAL 5 H VAL 5 1.992 0.180 0.414 1321 HA VAL 5 HA VAL 5 -0.022 -1.581 1.615 1322 HB VAL 5 HB VAL 5 2.599 -2.659 0.578 1323 1HG1 VAL 5 1HG1 VAL 5 1.735 -4.811 1.141 1324 2HG1 VAL 5 2HG1 VAL 5 0.156 -4.135 1.540 1325 3HG1 VAL 5 3HG1 VAL 5 1.551 -3.774 2.556 1326 1HG2 VAL 5 1HG2 VAL 5 -0.156 -2.734 -0.632 1327 2HG2 VAL 5 2HG2 VAL 5 1.122 -3.861 -1.083 1328 3HG2 VAL 5 3HG2 VAL 5 1.335 -2.130 -1.355 1329 H ILE 6 H ILE 6 0.184 -1.684 3.756 1330 HA ILE 6 HA ILE 6 2.587 -0.584 4.996 1331 HB ILE 6 HB ILE 6 0.024 -1.422 6.351 1332 1HG1 ILE 6 1HG1 ILE 6 0.821 1.340 5.403 1333 2HG1 ILE 6 2HG1 ILE 6 -0.367 0.312 4.607 1334 1HG2 ILE 6 1HG2 ILE 6 0.770 -0.053 8.178 1335 2HG2 ILE 6 2HG2 ILE 6 2.172 0.489 7.253 1336 3HG2 ILE 6 3HG2 ILE 6 2.050 -1.194 7.764 1337 1HD1 ILE 6 1HD1 ILE 6 -1.450 1.986 5.976 1338 2HD1 ILE 6 2HD1 ILE 6 -0.570 1.421 7.396 1339 3HD1 ILE 6 3HD1 ILE 6 -1.755 0.372 6.619 1340 H LEU 7 H LEU 7 4.149 -1.909 5.665 1341 HA LEU 7 HA LEU 7 3.404 -4.542 6.730 1342 1HB LEU 7 1HB LEU 7 4.521 -4.296 4.269 1343 2HB LEU 7 2HB LEU 7 5.959 -4.432 5.261 1344 HG LEU 7 HG LEU 7 5.012 -6.548 6.221 1345 1HD1 LEU 7 1HD1 LEU 7 2.644 -5.829 5.406 1346 2HD1 LEU 7 2HD1 LEU 7 3.096 -7.534 5.418 1347 3HD1 LEU 7 3HD1 LEU 7 3.131 -6.624 3.908 1348 1HD2 LEU 7 1HD2 LEU 7 5.520 -6.391 3.255 1349 2HD2 LEU 7 2HD2 LEU 7 5.450 -7.900 4.167 1350 3HD2 LEU 7 3HD2 LEU 7 6.697 -6.704 4.531 1351 H ASN 8 H ASN 8 4.038 -4.621 8.770 1352 HA ASN 8 HA ASN 8 6.738 -3.856 9.492 1353 1HB ASN 8 1HB ASN 8 5.349 -1.782 9.767 1354 2HB ASN 8 2HB ASN 8 4.396 -2.648 10.968 1355 1HD2 ASN 8 1HD2 ASN 8 7.781 -1.920 10.202 1356 2HD2 ASN 8 2HD2 ASN 8 8.266 -1.633 11.834 1357 H GLY 9 H GLY 9 3.665 -4.535 11.140 1358 1HA GLY 9 1HA GLY 9 3.043 -6.288 12.500 1359 2HA GLY 9 2HA GLY 9 4.466 -7.154 11.942 1360 H LYS 10 H LYS 10 6.562 -6.469 12.920 1361 HA LYS 10 HA LYS 10 6.164 -6.040 15.786 1362 1HB LYS 10 1HB LYS 10 8.497 -6.874 15.991 1363 2HB LYS 10 2HB LYS 10 7.406 -8.026 15.235 1364 1HG LYS 10 1HG LYS 10 8.374 -7.788 13.161 1365 2HG LYS 10 2HG LYS 10 9.025 -6.191 13.533 1366 1HD LYS 10 1HD LYS 10 10.737 -7.106 14.894 1367 2HD LYS 10 2HD LYS 10 9.977 -8.699 14.897 1368 1HE LYS 10 1HE LYS 10 10.887 -7.419 12.343 1369 2HE LYS 10 2HE LYS 10 12.016 -8.303 13.369 1370 1HZ LYS 10 1HZ LYS 10 10.026 -10.055 13.212 1371 2HZ LYS 10 2HZ LYS 10 11.322 -10.026 12.125 1372 3HZ LYS 10 3HZ LYS 10 9.853 -9.298 11.707 1373 H THR 11 H THR 11 7.678 -4.688 16.970 1374 HA THR 11 HA THR 11 9.313 -2.787 15.611 1375 HB THR 11 HB THR 11 7.263 -1.706 15.042 1376 HG1 THR 11 HG1 THR 11 8.737 -0.219 15.753 1377 1HG2 THR 11 1HG2 THR 11 5.637 -2.646 16.451 1378 2HG2 THR 11 2HG2 THR 11 5.696 -0.931 16.858 1379 3HG2 THR 11 3HG2 THR 11 6.478 -2.114 17.907 1380 H LEU 12 H LEU 12 10.810 -1.979 16.964 1381 HA LEU 12 HA LEU 12 12.013 -1.608 18.852 1382 1HB LEU 12 1HB LEU 12 9.262 -1.483 20.072 1383 2HB LEU 12 2HB LEU 12 10.730 -1.131 20.961 1384 HG LEU 12 HG LEU 12 9.860 0.373 18.495 1385 1HD1 LEU 12 1HD1 LEU 12 8.223 0.882 20.097 1386 2HD1 LEU 12 2HD1 LEU 12 9.391 2.198 20.200 1387 3HD1 LEU 12 3HD1 LEU 12 9.399 0.916 21.411 1388 1HD2 LEU 12 1HD2 LEU 12 11.513 2.035 19.355 1389 2HD2 LEU 12 2HD2 LEU 12 12.222 0.517 18.807 1390 3HD2 LEU 12 3HD2 LEU 12 12.030 0.828 20.532 1391 H LYS 13 H LYS 13 9.402 -3.424 20.408 1392 HA LYS 13 HA LYS 13 11.272 -5.191 21.660 1393 1HB LYS 13 1HB LYS 13 8.270 -5.489 21.515 1394 2HB LYS 13 2HB LYS 13 9.353 -6.222 22.691 1395 1HG LYS 13 1HG LYS 13 9.243 -3.253 22.461 1396 2HG LYS 13 2HG LYS 13 7.953 -4.111 23.308 1397 1HD LYS 13 1HD LYS 13 9.695 -5.207 24.712 1398 2HD LYS 13 2HD LYS 13 10.903 -4.183 23.933 1399 1HE LYS 13 1HE LYS 13 10.131 -3.319 26.129 1400 2HE LYS 13 2HE LYS 13 9.862 -2.200 24.793 1401 1HZ LYS 13 1HZ LYS 13 7.577 -2.684 24.775 1402 2HZ LYS 13 2HZ LYS 13 7.971 -2.488 26.408 1403 3HZ LYS 13 3HZ LYS 13 7.759 -4.041 25.771 1404 H GLY 14 H GLY 14 10.266 -7.672 21.622 1405 1HA GLY 14 1HA GLY 14 9.790 -8.527 18.886 1406 2HA GLY 14 2HA GLY 14 11.343 -8.998 19.559 1407 H GLU 15 H GLU 15 11.007 -11.179 19.631 1408 HA GLU 15 HA GLU 15 10.304 -13.181 20.445 1409 1HB GLU 15 1HB GLU 15 10.573 -11.667 22.612 1410 2HB GLU 15 2HB GLU 15 8.831 -11.891 22.693 1411 1HG GLU 15 1HG GLU 15 10.038 -14.416 22.193 1412 2HG GLU 15 2HG GLU 15 10.882 -13.646 23.535 1413 H THR 16 H THR 16 8.635 -11.749 18.572 1414 HA THR 16 HA THR 16 5.922 -12.488 19.389 1415 HB THR 16 HB THR 16 6.628 -11.160 16.788 1416 HG1 THR 16 HG1 THR 16 6.461 -9.170 17.866 1417 1HG2 THR 16 1HG2 THR 16 4.233 -10.922 18.593 1418 2HG2 THR 16 2HG2 THR 16 4.311 -11.822 17.077 1419 3HG2 THR 16 3HG2 THR 16 4.474 -10.066 17.070 1420 H THR 17 H THR 17 5.033 -14.330 18.742 1421 HA THR 17 HA THR 17 6.429 -15.992 16.816 1422 HB THR 17 HB THR 17 3.877 -16.665 18.276 1423 HG1 THR 17 HG1 THR 17 5.106 -17.382 19.955 1424 1HG2 THR 17 1HG2 THR 17 4.082 -18.589 17.206 1425 2HG2 THR 17 2HG2 THR 17 5.542 -18.877 18.154 1426 3HG2 THR 17 3HG2 THR 17 5.659 -18.137 16.558 1427 H THR 18 H THR 18 3.255 -14.453 17.170 1428 HA THR 18 HA THR 18 2.376 -15.384 14.582 1429 HB THR 18 HB THR 18 0.681 -15.194 16.245 1430 HG1 THR 18 HG1 THR 18 -0.226 -14.562 14.387 1431 1HG2 THR 18 1HG2 THR 18 1.494 -13.694 17.845 1432 2HG2 THR 18 2HG2 THR 18 0.068 -12.915 17.160 1433 3HG2 THR 18 3HG2 THR 18 1.680 -12.401 16.662 1434 H GLU 19 H GLU 19 1.338 -13.644 13.110 1435 HA GLU 19 HA GLU 19 1.654 -11.955 11.624 1436 1HB GLU 19 1HB GLU 19 2.691 -10.754 14.164 1437 2HB GLU 19 2HB GLU 19 2.878 -9.877 12.651 1438 1HG GLU 19 1HG GLU 19 0.482 -9.900 12.308 1439 2HG GLU 19 2HG GLU 19 0.262 -10.856 13.773 1440 H ALA 20 H ALA 20 2.968 -12.450 10.000 1441 HA ALA 20 HA ALA 20 5.874 -12.420 10.495 1442 1HB ALA 20 1HB ALA 20 4.512 -13.963 8.302 1443 2HB ALA 20 2HB ALA 20 4.836 -14.643 9.896 1444 3HB ALA 20 3HB ALA 20 6.173 -14.116 8.874 1445 H VAL 21 H VAL 21 4.145 -10.150 9.746 1446 HA VAL 21 HA VAL 21 4.909 -9.631 6.975 1447 HB VAL 21 HB VAL 21 3.644 -7.467 7.337 1448 1HG1 VAL 21 1HG1 VAL 21 2.777 -9.766 6.434 1449 2HG1 VAL 21 2HG1 VAL 21 1.650 -8.448 6.754 1450 3HG1 VAL 21 3HG1 VAL 21 1.829 -9.758 7.921 1451 1HG2 VAL 21 1HG2 VAL 21 2.257 -8.640 9.659 1452 2HG2 VAL 21 2HG2 VAL 21 2.626 -6.957 9.286 1453 3HG2 VAL 21 3HG2 VAL 21 3.871 -8.001 9.970 1454 H ASP 22 H ASP 22 7.158 -9.446 7.233 1455 HA ASP 22 HA ASP 22 8.114 -7.196 8.855 1456 1HB ASP 22 1HB ASP 22 9.170 -9.421 9.194 1457 2HB ASP 22 2HB ASP 22 9.717 -9.382 7.521 1458 H ALA 23 H ALA 23 9.245 -5.532 8.044 1459 HA ALA 23 HA ALA 23 8.695 -4.576 5.509 1460 1HB ALA 23 1HB ALA 23 11.210 -3.567 6.530 1461 2HB ALA 23 2HB ALA 23 9.977 -3.667 7.788 1462 3HB ALA 23 3HB ALA 23 9.664 -2.742 6.318 1463 H ALA 24 H ALA 24 11.519 -6.379 6.655 1464 HA ALA 24 HA ALA 24 13.026 -6.201 4.267 1465 1HB ALA 24 1HB ALA 24 14.385 -7.983 5.201 1466 2HB ALA 24 2HB ALA 24 13.143 -8.325 6.405 1467 3HB ALA 24 3HB ALA 24 14.008 -6.789 6.443 1468 H THR 25 H THR 25 10.518 -8.368 5.377 1469 HA THR 25 HA THR 25 10.862 -10.434 3.495 1470 HB THR 25 HB THR 25 8.452 -9.462 5.038 1471 HG1 THR 25 HG1 THR 25 10.206 -11.666 5.325 1472 1HG2 THR 25 1HG2 THR 25 8.521 -11.438 2.907 1473 2HG2 THR 25 2HG2 THR 25 7.149 -10.663 3.703 1474 3HG2 THR 25 3HG2 THR 25 7.917 -12.070 4.439 1475 H PHE 26 H PHE 26 9.188 -7.363 3.392 1476 HA PHE 26 HA PHE 26 7.781 -7.762 0.971 1477 1HB PHE 26 1HB PHE 26 7.429 -5.919 2.719 1478 2HB PHE 26 2HB PHE 26 8.776 -5.090 1.948 1479 HD1 PHE 26 HD1 PHE 26 5.437 -6.552 1.249 1480 HD2 PHE 26 HD2 PHE 26 8.423 -3.754 0.080 1481 HE1 PHE 26 HE1 PHE 26 3.894 -5.609 -0.420 1482 HE2 PHE 26 HE2 PHE 26 6.885 -2.805 -1.590 1483 HZ PHE 26 HZ PHE 26 4.617 -3.732 -1.841 1484 H GLU 27 H GLU 27 10.870 -6.153 1.674 1485 HA GLU 27 HA GLU 27 11.527 -5.372 -0.907 1486 1HB GLU 27 1HB GLU 27 13.318 -6.177 1.386 1487 2HB GLU 27 2HB GLU 27 13.900 -5.423 -0.091 1488 1HG GLU 27 1HG GLU 27 12.545 -3.454 0.363 1489 2HG GLU 27 2HG GLU 27 11.923 -4.213 1.828 1490 H LYS 28 H LYS 28 12.472 -8.388 0.755 1491 HA LYS 28 HA LYS 28 13.907 -9.429 -1.436 1492 1HB LYS 28 1HB LYS 28 14.067 -10.126 0.998 1493 2HB LYS 28 2HB LYS 28 12.608 -11.071 0.729 1494 1HG LYS 28 1HG LYS 28 13.684 -12.515 -0.769 1495 2HG LYS 28 2HG LYS 28 15.051 -11.419 -0.976 1496 1HD LYS 28 1HD LYS 28 14.394 -12.659 1.682 1497 2HD LYS 28 2HD LYS 28 15.403 -13.483 0.492 1498 1HE LYS 28 1HE LYS 28 16.927 -11.553 0.479 1499 2HE LYS 28 2HE LYS 28 15.930 -10.772 1.705 1500 1HZ LYS 28 1HZ LYS 28 17.326 -13.372 2.049 1501 2HZ LYS 28 2HZ LYS 28 16.433 -12.552 3.230 1502 3HZ LYS 28 3HZ LYS 28 17.875 -11.888 2.649 1503 H VAL 29 H VAL 29 10.576 -10.124 -0.318 1504 HA VAL 29 HA VAL 29 10.012 -12.073 -2.255 1505 HB VAL 29 HB VAL 29 8.081 -10.205 -0.876 1506 1HG1 VAL 29 1HG1 VAL 29 7.116 -11.267 -2.868 1507 2HG1 VAL 29 2HG1 VAL 29 6.384 -11.877 -1.382 1508 3HG1 VAL 29 3HG1 VAL 29 7.579 -12.850 -2.239 1509 1HG2 VAL 29 1HG2 VAL 29 8.358 -13.013 -0.021 1510 2HG2 VAL 29 2HG2 VAL 29 8.102 -11.553 0.935 1511 3HG2 VAL 29 3HG2 VAL 29 9.718 -11.954 0.354 1512 H VAL 30 H VAL 30 9.586 -8.562 -2.320 1513 HA VAL 30 HA VAL 30 8.164 -8.529 -4.779 1514 HB VAL 30 HB VAL 30 9.718 -6.283 -3.484 1515 1HG1 VAL 30 1HG1 VAL 30 9.223 -5.932 -5.887 1516 2HG1 VAL 30 2HG1 VAL 30 8.386 -4.790 -4.836 1517 3HG1 VAL 30 3HG1 VAL 30 7.509 -6.151 -5.535 1518 1HG2 VAL 30 1HG2 VAL 30 7.912 -5.806 -2.189 1519 2HG2 VAL 30 2HG2 VAL 30 7.666 -7.546 -2.341 1520 3HG2 VAL 30 3HG2 VAL 30 6.762 -6.435 -3.370 1521 H LYS 31 H LYS 31 11.612 -7.991 -4.001 1522 HA LYS 31 HA LYS 31 12.382 -7.386 -6.644 1523 1HB LYS 31 1HB LYS 31 13.677 -7.060 -4.435 1524 2HB LYS 31 2HB LYS 31 14.169 -8.736 -4.634 1525 1HG LYS 31 1HG LYS 31 15.245 -8.226 -6.723 1526 2HG LYS 31 2HG LYS 31 14.641 -6.568 -6.669 1527 1HD LYS 31 1HD LYS 31 16.075 -5.965 -4.947 1528 2HD LYS 31 2HD LYS 31 16.314 -7.636 -4.430 1529 1HE LYS 31 1HE LYS 31 17.544 -8.054 -6.548 1530 2HE LYS 31 2HE LYS 31 17.397 -6.340 -6.928 1531 1HZ LYS 31 1HZ LYS 31 18.622 -5.843 -4.886 1532 2HZ LYS 31 2HZ LYS 31 19.532 -6.804 -5.939 1533 3HZ LYS 31 3HZ LYS 31 18.801 -7.498 -4.580 1534 H GLN 32 H GLN 32 12.346 -10.417 -4.806 1535 HA GLN 32 HA GLN 32 13.468 -12.030 -6.832 1536 1HB GLN 32 1HB GLN 32 13.207 -12.595 -4.366 1537 2HB GLN 32 2HB GLN 32 11.530 -12.981 -4.726 1538 1HG GLN 32 1HG GLN 32 12.533 -15.042 -4.853 1539 2HG GLN 32 2HG GLN 32 12.541 -14.530 -6.540 1540 1HE2 GLN 32 1HE2 GLN 32 14.436 -15.280 -3.769 1541 2HE2 GLN 32 2HE2 GLN 32 15.985 -15.160 -4.524 1542 H PHE 33 H PHE 33 10.078 -11.284 -5.991 1543 HA PHE 33 HA PHE 33 8.946 -12.986 -7.938 1544 1HB PHE 33 1HB PHE 33 7.498 -12.493 -6.226 1545 2HB PHE 33 2HB PHE 33 7.989 -10.810 -6.141 1546 HD1 PHE 33 HD1 PHE 33 6.408 -13.017 -8.744 1547 HD2 PHE 33 HD2 PHE 33 6.341 -9.359 -6.572 1548 HE1 PHE 33 HE1 PHE 33 4.362 -12.340 -9.946 1549 HE2 PHE 33 HE2 PHE 33 4.309 -8.670 -7.774 1550 HZ PHE 33 HZ PHE 33 3.316 -10.157 -9.464 1551 H PHE 34 H PHE 34 9.605 -9.488 -7.948 1552 HA PHE 34 HA PHE 34 8.583 -9.214 -10.605 1553 1HB PHE 34 1HB PHE 34 9.823 -7.347 -8.639 1554 2HB PHE 34 2HB PHE 34 9.662 -6.856 -10.329 1555 HD1 PHE 34 HD1 PHE 34 7.995 -7.148 -7.196 1556 HD2 PHE 34 HD2 PHE 34 7.356 -7.125 -11.405 1557 HE1 PHE 34 HE1 PHE 34 5.610 -6.656 -6.830 1558 HE2 PHE 34 HE2 PHE 34 4.976 -6.626 -11.047 1559 HZ PHE 34 HZ PHE 34 4.096 -6.399 -8.760 1560 H ASN 35 H ASN 35 11.804 -9.688 -9.277 1561 HA ASN 35 HA ASN 35 13.324 -8.857 -11.461 1562 1HB ASN 35 1HB ASN 35 13.761 -10.946 -9.358 1563 2HB ASN 35 2HB ASN 35 14.883 -10.841 -10.710 1564 1HD2 ASN 35 1HD2 ASN 35 13.299 -7.993 -9.450 1565 2HD2 ASN 35 2HD2 ASN 35 14.702 -7.309 -8.713 1566 H ASP 36 H ASP 36 11.371 -11.704 -11.057 1567 HA ASP 36 HA ASP 36 12.378 -13.273 -13.157 1568 1HB ASP 36 1HB ASP 36 9.695 -13.150 -11.799 1569 2HB ASP 36 2HB ASP 36 10.010 -14.272 -13.121 1570 H ASN 37 H ASN 37 10.568 -10.378 -13.229 1571 HA ASN 37 HA ASN 37 9.667 -10.873 -15.983 1572 1HB ASN 37 1HB ASN 37 8.968 -8.412 -14.410 1573 2HB ASN 37 2HB ASN 37 8.097 -9.154 -15.746 1574 1HD2 ASN 37 1HD2 ASN 37 8.061 -8.648 -12.529 1575 2HD2 ASN 37 2HD2 ASN 37 7.056 -9.962 -12.031 1576 H GLY 38 H GLY 38 12.040 -9.120 -14.188 1577 1HA GLY 38 1HA GLY 38 13.912 -8.396 -15.679 1578 2HA GLY 38 2HA GLY 38 12.681 -7.576 -16.625 1579 H VAL 39 H VAL 39 12.219 -7.480 -13.224 1580 HA VAL 39 HA VAL 39 12.786 -4.627 -13.228 1581 HB VAL 39 HB VAL 39 11.694 -6.305 -10.966 1582 1HG1 VAL 39 1HG1 VAL 39 12.502 -4.269 -10.090 1583 2HG1 VAL 39 2HG1 VAL 39 10.763 -4.047 -10.274 1584 3HG1 VAL 39 3HG1 VAL 39 11.871 -3.343 -11.452 1585 1HG2 VAL 39 1HG2 VAL 39 10.275 -4.824 -13.169 1586 2HG2 VAL 39 2HG2 VAL 39 9.486 -5.339 -11.678 1587 3HG2 VAL 39 3HG2 VAL 39 10.169 -6.540 -12.775 1588 H ASP 40 H ASP 40 14.335 -3.612 -11.932 1589 HA ASP 40 HA ASP 40 15.953 -5.176 -10.124 1590 1HB ASP 40 1HB ASP 40 17.031 -4.154 -12.747 1591 2HB ASP 40 2HB ASP 40 18.081 -4.448 -11.364 1592 H GLY 41 H GLY 41 17.977 -3.672 -9.526 1593 1HA GLY 41 1HA GLY 41 18.598 -1.289 -9.287 1594 2HA GLY 41 2HA GLY 41 16.884 -0.960 -9.075 1595 H GLU 42 H GLU 42 17.033 -0.047 -7.047 1596 HA GLU 42 HA GLU 42 17.421 -1.939 -4.874 1597 1HB GLU 42 1HB GLU 42 19.059 0.563 -5.225 1598 2HB GLU 42 2HB GLU 42 18.805 -0.164 -3.643 1599 1HG GLU 42 1HG GLU 42 19.718 -2.308 -4.647 1600 2HG GLU 42 2HG GLU 42 20.235 -1.318 -6.012 1601 H TRP 43 H TRP 43 16.544 -1.206 -2.846 1602 HA TRP 43 HA TRP 43 14.138 0.289 -3.185 1603 1HB TRP 43 1HB TRP 43 15.485 -0.988 -0.819 1604 2HB TRP 43 2HB TRP 43 14.041 0.002 -0.623 1605 HD1 TRP 43 HD1 TRP 43 15.160 -3.439 -1.625 1606 HE1 TRP 43 HE1 TRP 43 13.111 -4.877 -2.220 1607 HE3 TRP 43 HE3 TRP 43 11.600 0.229 -1.735 1608 HZ2 TRP 43 HZ2 TRP 43 10.349 -4.506 -2.678 1609 HZ3 TRP 43 HZ3 TRP 43 9.279 -0.396 -2.260 1610 HH2 TRP 43 HH2 TRP 43 8.668 -2.715 -2.722 1611 H THR 44 H THR 44 13.858 2.379 -3.075 1612 HA THR 44 HA THR 44 15.859 3.995 -1.644 1613 HB THR 44 HB THR 44 15.253 5.839 -3.179 1614 HG1 THR 44 HG1 THR 44 13.583 5.658 -4.412 1615 1HG2 THR 44 1HG2 THR 44 17.134 4.396 -3.792 1616 2HG2 THR 44 2HG2 THR 44 16.278 5.020 -5.202 1617 3HG2 THR 44 3HG2 THR 44 16.026 3.353 -4.685 1618 H TYR 45 H TYR 45 15.194 5.461 -0.199 1619 HA TYR 45 HA TYR 45 12.582 5.181 0.921 1620 1HB TYR 45 1HB TYR 45 14.958 6.904 1.546 1621 2HB TYR 45 2HB TYR 45 13.410 7.223 2.319 1622 HD1 TYR 45 HD1 TYR 45 16.328 5.082 2.235 1623 HD2 TYR 45 HD2 TYR 45 12.378 5.476 3.767 1624 HE1 TYR 45 HE1 TYR 45 16.812 3.352 3.915 1625 HE2 TYR 45 HE2 TYR 45 12.851 3.749 5.451 1626 HH TYR 45 HH TYR 45 15.392 1.667 5.286 1627 H ASP 46 H ASP 46 10.854 6.590 0.887 1628 HA ASP 46 HA ASP 46 10.598 8.228 -1.430 1629 1HB ASP 46 1HB ASP 46 8.844 7.643 0.937 1630 2HB ASP 46 2HB ASP 46 8.412 8.928 -0.185 1631 H ASP 47 H ASP 47 10.006 10.515 -1.411 1632 HA ASP 47 HA ASP 47 11.858 12.074 0.053 1633 1HB ASP 47 1HB ASP 47 9.572 12.706 -1.784 1634 2HB ASP 47 2HB ASP 47 10.362 13.999 -0.887 1635 H ALA 48 H ALA 48 11.668 13.227 1.895 1636 HA ALA 48 HA ALA 48 9.775 12.574 3.814 1637 1HB ALA 48 1HB ALA 48 12.098 13.768 3.984 1638 2HB ALA 48 2HB ALA 48 10.857 14.043 5.206 1639 3HB ALA 48 3HB ALA 48 11.117 15.232 3.930 1640 H THR 49 H THR 49 7.910 13.462 4.550 1641 HA THR 49 HA THR 49 6.832 15.803 3.143 1642 HB THR 49 HB THR 49 5.174 13.363 3.784 1643 HG1 THR 49 HG1 THR 49 6.652 12.787 2.196 1644 1HG2 THR 49 1HG2 THR 49 4.638 15.695 1.962 1645 2HG2 THR 49 2HG2 THR 49 3.891 15.415 3.535 1646 3HG2 THR 49 3HG2 THR 49 3.587 14.299 2.203 1647 H LYS 50 H LYS 50 5.142 16.926 4.312 1648 HA LYS 50 HA LYS 50 5.236 16.403 7.212 1649 1HB LYS 50 1HB LYS 50 5.537 18.926 5.661 1650 2HB LYS 50 2HB LYS 50 4.690 19.013 7.200 1651 1HG LYS 50 1HG LYS 50 6.579 18.278 8.398 1652 2HG LYS 50 2HG LYS 50 7.401 17.752 6.928 1653 1HD LYS 50 1HD LYS 50 7.057 20.339 6.330 1654 2HD LYS 50 2HD LYS 50 7.120 20.461 8.089 1655 1HE LYS 50 1HE LYS 50 9.261 19.304 8.109 1656 2HE LYS 50 2HE LYS 50 9.190 19.113 6.358 1657 1HZ LYS 50 1HZ LYS 50 10.586 21.002 7.219 1658 2HZ LYS 50 2HZ LYS 50 9.146 21.768 7.670 1659 3HZ LYS 50 3HZ LYS 50 9.441 21.415 6.044 1660 H THR 51 H THR 51 3.361 16.692 8.403 1661 HA THR 51 HA THR 51 0.898 17.314 6.946 1662 HB THR 51 HB THR 51 1.482 14.779 8.482 1663 HG1 THR 51 HG1 THR 51 0.662 13.863 6.563 1664 1HG2 THR 51 1HG2 THR 51 -0.673 15.562 9.302 1665 2HG2 THR 51 2HG2 THR 51 -0.859 14.153 8.258 1666 3HG2 THR 51 3HG2 THR 51 -1.241 15.761 7.644 1667 H PHE 52 H PHE 52 -0.420 18.621 8.066 1668 HA PHE 52 HA PHE 52 0.377 19.476 10.704 1669 1HB PHE 52 1HB PHE 52 -0.422 21.047 8.911 1670 2HB PHE 52 2HB PHE 52 -2.032 20.363 9.109 1671 HD1 PHE 52 HD1 PHE 52 0.642 22.246 10.829 1672 HD2 PHE 52 HD2 PHE 52 -3.444 21.056 10.860 1673 HE1 PHE 52 HE1 PHE 52 0.197 23.835 12.654 1674 HE2 PHE 52 HE2 PHE 52 -3.897 22.643 12.684 1675 HZ PHE 52 HZ PHE 52 -2.075 24.036 13.583 1676 H THR 53 H THR 53 -0.341 18.631 12.540 1677 HA THR 53 HA THR 53 -2.719 16.928 12.487 1678 HB THR 53 HB THR 53 -0.637 17.344 14.646 1679 HG1 THR 53 HG1 THR 53 0.015 16.205 12.702 1680 1HG2 THR 53 1HG2 THR 53 -3.177 15.900 14.666 1681 2HG2 THR 53 2HG2 THR 53 -2.163 16.447 16.001 1682 3HG2 THR 53 3HG2 THR 53 -1.785 14.940 15.164 1683 H VAL 54 H VAL 54 -4.629 17.640 13.201 1684 HA VAL 54 HA VAL 54 -4.926 20.283 14.214 1685 HB VAL 54 HB VAL 54 -7.049 18.153 14.344 1686 1HG1 VAL 54 1HG1 VAL 54 -7.000 21.141 14.332 1687 2HG1 VAL 54 2HG1 VAL 54 -7.858 20.038 15.409 1688 3HG1 VAL 54 3HG1 VAL 54 -8.424 20.274 13.756 1689 1HG2 VAL 54 1HG2 VAL 54 -7.693 19.173 12.048 1690 2HG2 VAL 54 2HG2 VAL 54 -6.437 17.938 12.119 1691 3HG2 VAL 54 3HG2 VAL 54 -5.994 19.639 11.970 1692 H THR 55 H THR 55 -5.897 20.888 16.236 1693 HA THR 55 HA THR 55 -5.805 18.959 18.404 1694 HB THR 55 HB THR 55 -4.110 21.461 18.445 1695 HG1 THR 55 HG1 THR 55 -3.383 18.723 18.347 1696 1HG2 THR 55 1HG2 THR 55 -3.691 19.399 20.479 1697 2HG2 THR 55 2HG2 THR 55 -5.205 20.294 20.623 1698 3HG2 THR 55 3HG2 THR 55 -3.666 21.158 20.613 1699 H GLU 56 H GLU 56 -5.779 22.500 18.155 1700 HA GLU 56 HA GLU 56 -7.214 24.097 18.905 1701 1HB GLU 56 1HB GLU 56 -9.329 21.960 18.612 1702 2HB GLU 56 2HB GLU 56 -9.586 23.698 18.641 1703 1HG GLU 56 1HG GLU 56 -8.468 23.959 16.538 1704 2HG GLU 56 2HG GLU 56 -7.999 22.259 16.530 Start of MODEL 10 1 1H MET 1 1H MET 1 11.178 21.130 0.297 2 2H MET 1 2H MET 1 9.673 21.859 -0.088 3 3H MET 1 3H MET 1 10.253 20.539 -1.019 4 HA MET 1 HA MET 1 10.014 19.067 0.768 5 1HB MET 1 1HB MET 1 9.782 21.626 2.236 6 2HB MET 1 2HB MET 1 8.739 20.328 2.804 7 1HG MET 1 1HG MET 1 11.470 19.452 2.346 8 2HG MET 1 2HG MET 1 11.358 20.755 3.524 9 1HE MET 1 1HE MET 1 8.244 18.373 3.148 10 2HE MET 1 2HE MET 1 8.841 16.917 3.946 11 3HE MET 1 3HE MET 1 9.579 17.464 2.439 12 H GLN 2 H GLN 2 8.105 17.941 0.977 13 HA GLN 2 HA GLN 2 5.851 19.022 -0.511 14 1HB GLN 2 1HB GLN 2 6.681 16.710 -0.925 15 2HB GLN 2 2HB GLN 2 6.207 16.277 0.710 16 1HG GLN 2 1HG GLN 2 3.869 16.867 0.133 17 2HG GLN 2 2HG GLN 2 4.393 17.140 -1.528 18 1HE2 GLN 2 1HE2 GLN 2 5.168 15.355 -2.741 19 2HE2 GLN 2 2HE2 GLN 2 4.696 13.742 -2.339 20 H TYR 3 H TYR 3 4.158 19.949 0.438 21 HA TYR 3 HA TYR 3 3.782 19.506 3.317 22 1HB TYR 3 1HB TYR 3 3.288 21.871 1.549 23 2HB TYR 3 2HB TYR 3 2.399 21.700 3.059 24 HD1 TYR 3 HD1 TYR 3 5.447 22.779 1.549 25 HD2 TYR 3 HD2 TYR 3 3.768 21.398 5.205 26 HE1 TYR 3 HE1 TYR 3 7.352 23.734 2.777 27 HE2 TYR 3 HE2 TYR 3 5.666 22.351 6.444 28 HH TYR 3 HH TYR 3 8.082 22.955 5.930 29 H LYS 4 H LYS 4 2.028 18.640 4.067 30 HA LYS 4 HA LYS 4 -0.193 18.074 2.218 31 1HB LYS 4 1HB LYS 4 0.983 16.605 4.526 32 2HB LYS 4 2HB LYS 4 -0.743 16.426 4.241 33 1HG LYS 4 1HG LYS 4 0.017 15.928 1.788 34 2HG LYS 4 2HG LYS 4 1.558 15.555 2.563 35 1HD LYS 4 1HD LYS 4 0.309 14.018 4.101 36 2HD LYS 4 2HD LYS 4 -1.124 14.288 3.106 37 1HE LYS 4 1HE LYS 4 -0.298 13.086 1.347 38 2HE LYS 4 2HE LYS 4 1.379 13.463 1.739 39 1HZ LYS 4 1HZ LYS 4 1.470 11.802 3.322 40 2HZ LYS 4 2HZ LYS 4 0.518 11.088 2.120 41 3HZ LYS 4 3HZ LYS 4 -0.210 11.722 3.509 42 H VAL 5 H VAL 5 -2.135 18.949 2.547 43 HA VAL 5 HA VAL 5 -2.864 19.907 5.216 44 HB VAL 5 HB VAL 5 -3.228 21.673 2.798 45 1HG1 VAL 5 1HG1 VAL 5 -3.379 22.339 5.732 46 2HG1 VAL 5 2HG1 VAL 5 -4.778 21.923 4.742 47 3HG1 VAL 5 3HG1 VAL 5 -3.833 23.365 4.371 48 1HG2 VAL 5 1HG2 VAL 5 -1.404 23.062 3.778 49 2HG2 VAL 5 2HG2 VAL 5 -0.860 21.509 3.143 50 3HG2 VAL 5 3HG2 VAL 5 -1.051 21.733 4.884 51 H ILE 6 H ILE 6 -4.892 19.361 5.717 52 HA ILE 6 HA ILE 6 -6.627 18.320 3.606 53 HB ILE 6 HB ILE 6 -7.099 18.228 6.585 54 1HG1 ILE 6 1HG1 ILE 6 -5.801 16.127 4.836 55 2HG1 ILE 6 2HG1 ILE 6 -4.948 17.144 5.990 56 1HG2 ILE 6 1HG2 ILE 6 -8.418 16.154 5.800 57 2HG2 ILE 6 2HG2 ILE 6 -8.339 16.904 4.207 58 3HG2 ILE 6 3HG2 ILE 6 -9.115 17.752 5.543 59 1HD1 ILE 6 1HD1 ILE 6 -5.331 14.964 6.933 60 2HD1 ILE 6 2HD1 ILE 6 -7.064 15.102 6.625 61 3HD1 ILE 6 3HD1 ILE 6 -6.290 16.163 7.804 62 H LEU 7 H LEU 7 -8.266 19.498 2.808 63 HA LEU 7 HA LEU 7 -9.524 21.519 4.520 64 1HB LEU 7 1HB LEU 7 -8.187 21.923 1.904 65 2HB LEU 7 2HB LEU 7 -9.727 22.733 2.120 66 HG LEU 7 HG LEU 7 -8.522 23.464 4.415 67 1HD1 LEU 7 1HD1 LEU 7 -6.460 22.181 3.286 68 2HD1 LEU 7 2HD1 LEU 7 -6.268 23.571 4.353 69 3HD1 LEU 7 3HD1 LEU 7 -6.216 23.788 2.602 70 1HD2 LEU 7 1HD2 LEU 7 -9.475 24.749 2.287 71 2HD2 LEU 7 2HD2 LEU 7 -7.758 25.057 2.034 72 3HD2 LEU 7 3HD2 LEU 7 -8.532 25.563 3.535 73 H ASN 8 H ASN 8 -11.582 20.858 4.740 74 HA ASN 8 HA ASN 8 -13.185 20.348 2.401 75 1HB ASN 8 1HB ASN 8 -12.168 18.128 2.836 76 2HB ASN 8 2HB ASN 8 -12.855 18.154 4.458 77 1HD2 ASN 8 1HD2 ASN 8 -13.246 16.592 1.807 78 2HD2 ASN 8 2HD2 ASN 8 -14.967 16.486 1.680 79 H GLY 9 H GLY 9 -14.946 21.528 2.784 80 1HA GLY 9 1HA GLY 9 -15.743 22.184 5.478 81 2HA GLY 9 2HA GLY 9 -16.515 22.733 3.998 82 H LYS 10 H LYS 10 -16.470 20.337 6.497 83 HA LYS 10 HA LYS 10 -18.677 18.865 5.266 84 1HB LYS 10 1HB LYS 10 -16.758 17.623 6.267 85 2HB LYS 10 2HB LYS 10 -17.196 18.282 7.837 86 1HG LYS 10 1HG LYS 10 -19.486 17.206 7.436 87 2HG LYS 10 2HG LYS 10 -18.682 16.299 6.154 88 1HD LYS 10 1HD LYS 10 -16.963 15.643 7.916 89 2HD LYS 10 2HD LYS 10 -18.107 16.273 9.107 90 1HE LYS 10 1HE LYS 10 -19.797 14.720 7.839 91 2HE LYS 10 2HE LYS 10 -18.331 13.889 7.327 92 1HZ LYS 10 1HZ LYS 10 -17.751 13.451 9.568 93 2HZ LYS 10 2HZ LYS 10 -19.376 13.011 9.396 94 3HZ LYS 10 3HZ LYS 10 -18.971 14.462 10.166 95 H THR 11 H THR 11 -20.445 20.184 5.508 96 HA THR 11 HA THR 11 -21.614 20.274 8.138 97 HB THR 11 HB THR 11 -20.340 22.283 8.340 98 HG1 THR 11 HG1 THR 11 -21.963 23.561 8.848 99 1HG2 THR 11 1HG2 THR 11 -20.589 24.155 6.727 100 2HG2 THR 11 2HG2 THR 11 -21.383 23.031 5.624 101 3HG2 THR 11 3HG2 THR 11 -19.705 22.765 6.098 102 H LEU 12 H LEU 12 -23.843 20.606 8.103 103 HA LEU 12 HA LEU 12 -25.174 21.318 5.643 104 1HB LEU 12 1HB LEU 12 -26.522 19.179 5.652 105 2HB LEU 12 2HB LEU 12 -24.868 19.052 5.085 106 HG LEU 12 HG LEU 12 -24.373 18.351 7.564 107 1HD1 LEU 12 1HD1 LEU 12 -26.309 18.545 8.744 108 2HD1 LEU 12 2HD1 LEU 12 -26.487 16.882 8.185 109 3HD1 LEU 12 3HD1 LEU 12 -27.328 18.188 7.350 110 1HD2 LEU 12 1HD2 LEU 12 -24.150 16.978 5.482 111 2HD2 LEU 12 2HD2 LEU 12 -25.810 16.434 5.737 112 3HD2 LEU 12 3HD2 LEU 12 -24.567 16.060 6.931 113 H LYS 13 H LYS 13 -25.121 22.505 8.182 114 HA LYS 13 HA LYS 13 -27.961 22.416 8.820 115 1HB LYS 13 1HB LYS 13 -26.533 20.867 10.367 116 2HB LYS 13 2HB LYS 13 -26.027 22.377 11.109 117 1HG LYS 13 1HG LYS 13 -28.514 22.886 11.363 118 2HG LYS 13 2HG LYS 13 -28.772 21.180 10.990 119 1HD LYS 13 1HD LYS 13 -26.940 22.129 13.185 120 2HD LYS 13 2HD LYS 13 -28.647 21.764 13.445 121 1HE LYS 13 1HE LYS 13 -28.340 19.487 12.855 122 2HE LYS 13 2HE LYS 13 -26.720 19.796 12.232 123 1HZ LYS 13 1HZ LYS 13 -27.628 19.662 15.033 124 2HZ LYS 13 2HZ LYS 13 -26.232 20.528 14.633 125 3HZ LYS 13 3HZ LYS 13 -26.326 18.873 14.296 126 H GLY 14 H GLY 14 -28.783 24.379 9.371 127 1HA GLY 14 1HA GLY 14 -28.671 26.569 10.286 128 2HA GLY 14 2HA GLY 14 -26.926 26.533 10.089 129 H GLU 15 H GLU 15 -27.894 28.779 9.281 130 HA GLU 15 HA GLU 15 -28.216 28.550 6.359 131 1HB GLU 15 1HB GLU 15 -29.231 30.753 8.165 132 2HB GLU 15 2HB GLU 15 -29.431 30.680 6.423 133 1HG GLU 15 1HG GLU 15 -31.137 29.231 6.547 134 2HG GLU 15 2HG GLU 15 -30.413 28.330 7.880 135 H THR 16 H THR 16 -26.965 29.797 5.045 136 HA THR 16 HA THR 16 -24.998 30.767 4.412 137 HB THR 16 HB THR 16 -26.538 32.667 4.791 138 HG1 THR 16 HG1 THR 16 -24.957 33.902 4.217 139 1HG2 THR 16 1HG2 THR 16 -27.042 32.891 7.009 140 2HG2 THR 16 2HG2 THR 16 -25.800 34.129 6.819 141 3HG2 THR 16 3HG2 THR 16 -25.388 32.570 7.532 142 H THR 17 H THR 17 -24.566 28.855 6.494 143 HA THR 17 HA THR 17 -22.898 29.840 8.543 144 HB THR 17 HB THR 17 -22.739 27.097 7.287 145 HG1 THR 17 HG1 THR 17 -24.477 27.957 9.355 146 1HG2 THR 17 1HG2 THR 17 -21.962 28.211 9.945 147 2HG2 THR 17 2HG2 THR 17 -21.052 27.160 8.857 148 3HG2 THR 17 3HG2 THR 17 -22.413 26.513 9.776 149 H THR 18 H THR 18 -21.878 27.942 5.703 150 HA THR 18 HA THR 18 -19.876 27.802 4.623 151 HB THR 18 HB THR 18 -20.898 29.811 3.618 152 HG1 THR 18 HG1 THR 18 -19.084 29.414 2.581 153 1HG2 THR 18 1HG2 THR 18 -19.352 31.255 5.740 154 2HG2 THR 18 2HG2 THR 18 -21.054 31.412 5.316 155 3HG2 THR 18 3HG2 THR 18 -19.814 32.020 4.221 156 H GLU 19 H GLU 19 -17.569 29.142 4.528 157 HA GLU 19 HA GLU 19 -15.544 29.363 5.532 158 1HB GLU 19 1HB GLU 19 -17.421 30.464 7.572 159 2HB GLU 19 2HB GLU 19 -15.748 30.186 8.043 160 1HG GLU 19 1HG GLU 19 -15.023 31.589 6.140 161 2HG GLU 19 2HG GLU 19 -16.717 31.937 5.799 162 H ALA 20 H ALA 20 -15.017 27.160 5.451 163 HA ALA 20 HA ALA 20 -14.457 25.946 7.945 164 1HB ALA 20 1HB ALA 20 -15.917 24.034 7.887 165 2HB ALA 20 2HB ALA 20 -16.630 24.574 6.366 166 3HB ALA 20 3HB ALA 20 -16.892 25.504 7.842 167 H VAL 21 H VAL 21 -12.603 26.371 6.320 168 HA VAL 21 HA VAL 21 -11.024 25.652 4.825 169 HB VAL 21 HB VAL 21 -10.368 23.214 5.188 170 1HG1 VAL 21 1HG1 VAL 21 -9.651 25.403 6.470 171 2HG1 VAL 21 2HG1 VAL 21 -9.117 23.809 7.009 172 3HG1 VAL 21 3HG1 VAL 21 -10.468 24.607 7.815 173 1HG2 VAL 21 1HG2 VAL 21 -11.326 22.075 7.098 174 2HG2 VAL 21 2HG2 VAL 21 -12.588 22.432 5.921 175 3HG2 VAL 21 3HG2 VAL 21 -12.434 23.416 7.377 176 H ASP 22 H ASP 22 -12.202 26.034 2.918 177 HA ASP 22 HA ASP 22 -13.519 23.720 1.682 178 1HB ASP 22 1HB ASP 22 -14.751 25.875 1.780 179 2HB ASP 22 2HB ASP 22 -13.491 26.610 0.792 180 H ALA 23 H ALA 23 -12.952 22.908 -0.258 181 HA ALA 23 HA ALA 23 -10.305 22.704 -0.964 182 1HB ALA 23 1HB ALA 23 -12.729 21.678 -1.835 183 2HB ALA 23 2HB ALA 23 -11.121 21.199 -2.384 184 3HB ALA 23 3HB ALA 23 -12.028 22.428 -3.271 185 H ALA 24 H ALA 24 -12.743 24.927 -2.262 186 HA ALA 24 HA ALA 24 -11.076 26.103 -4.230 187 1HB ALA 24 1HB ALA 24 -12.827 27.548 -4.662 188 2HB ALA 24 2HB ALA 24 -13.355 27.577 -2.977 189 3HB ALA 24 3HB ALA 24 -13.660 26.154 -3.974 190 H THR 25 H THR 25 -11.541 26.677 -0.827 191 HA THR 25 HA THR 25 -10.513 29.287 -0.645 192 HB THR 25 HB THR 25 -10.489 27.028 1.367 193 HG1 THR 25 HG1 THR 25 -12.345 28.002 2.125 194 1HG2 THR 25 1HG2 THR 25 -9.518 29.783 1.596 195 2HG2 THR 25 2HG2 THR 25 -9.136 28.350 2.555 196 3HG2 THR 25 3HG2 THR 25 -10.619 29.254 2.868 197 H PHE 26 H PHE 26 -8.961 26.142 -0.643 198 HA PHE 26 HA PHE 26 -6.351 27.082 0.006 199 1HB PHE 26 1HB PHE 26 -7.268 24.668 0.140 200 2HB PHE 26 2HB PHE 26 -6.878 24.578 -1.575 201 HD1 PHE 26 HD1 PHE 26 -5.358 25.451 1.703 202 HD2 PHE 26 HD2 PHE 26 -4.752 23.932 -2.226 203 HE1 PHE 26 HE1 PHE 26 -3.027 24.912 2.277 204 HE2 PHE 26 HE2 PHE 26 -2.419 23.388 -1.658 205 HZ PHE 26 HZ PHE 26 -1.555 23.879 0.596 206 H GLU 27 H GLU 27 -7.986 26.293 -3.027 207 HA GLU 27 HA GLU 27 -5.883 26.652 -4.799 208 1HB GLU 27 1HB GLU 27 -8.038 25.684 -5.431 209 2HB GLU 27 2HB GLU 27 -8.816 27.246 -5.222 210 1HG GLU 27 1HG GLU 27 -6.702 27.681 -7.004 211 2HG GLU 27 2HG GLU 27 -7.456 26.175 -7.507 212 H LYS 28 H LYS 28 -8.355 29.080 -3.924 213 HA LYS 28 HA LYS 28 -7.156 31.162 -5.392 214 1HB LYS 28 1HB LYS 28 -9.540 31.072 -4.663 215 2HB LYS 28 2HB LYS 28 -9.008 31.441 -3.029 216 1HG LYS 28 1HG LYS 28 -8.031 33.556 -3.878 217 2HG LYS 28 2HG LYS 28 -8.721 33.191 -5.460 218 1HD LYS 28 1HD LYS 28 -10.299 33.488 -2.904 219 2HD LYS 28 2HD LYS 28 -10.123 34.737 -4.140 220 1HE LYS 28 1HE LYS 28 -11.004 32.839 -5.726 221 2HE LYS 28 2HE LYS 28 -11.648 32.176 -4.225 222 1HZ LYS 28 1HZ LYS 28 -12.954 34.083 -3.879 223 2HZ LYS 28 2HZ LYS 28 -13.163 33.695 -5.512 224 3HZ LYS 28 3HZ LYS 28 -12.144 34.972 -5.070 225 H VAL 29 H VAL 29 -7.046 30.476 -1.875 226 HA VAL 29 HA VAL 29 -5.502 32.723 -1.204 227 HB VAL 29 HB VAL 29 -5.630 30.071 0.231 228 1HG1 VAL 29 1HG1 VAL 29 -3.738 31.509 0.917 229 2HG1 VAL 29 2HG1 VAL 29 -4.932 31.292 2.199 230 3HG1 VAL 29 3HG1 VAL 29 -4.886 32.799 1.285 231 1HG2 VAL 29 1HG2 VAL 29 -7.177 32.412 1.161 232 2HG2 VAL 29 2HG2 VAL 29 -7.580 30.695 1.199 233 3HG2 VAL 29 3HG2 VAL 29 -7.756 31.609 -0.300 234 H VAL 30 H VAL 30 -4.528 29.419 -2.042 235 HA VAL 30 HA VAL 30 -1.773 29.861 -1.491 236 HB VAL 30 HB VAL 30 -3.037 27.706 -3.191 237 1HG1 VAL 30 1HG1 VAL 30 -0.762 27.739 -3.785 238 2HG1 VAL 30 2HG1 VAL 30 -0.889 26.482 -2.552 239 3HG1 VAL 30 3HG1 VAL 30 -0.249 28.072 -2.129 240 1HG2 VAL 30 1HG2 VAL 30 -3.652 27.977 -0.688 241 2HG2 VAL 30 2HG2 VAL 30 -2.027 27.359 -0.396 242 3HG2 VAL 30 3HG2 VAL 30 -3.192 26.385 -1.291 243 H LYS 31 H LYS 31 -3.633 29.869 -4.560 244 HA LYS 31 HA LYS 31 -1.400 30.306 -6.210 245 1HB LYS 31 1HB LYS 31 -3.604 29.557 -7.036 246 2HB LYS 31 2HB LYS 31 -4.277 31.134 -6.642 247 1HG LYS 31 1HG LYS 31 -2.344 31.979 -8.216 248 2HG LYS 31 2HG LYS 31 -2.468 30.341 -8.860 249 1HD LYS 31 1HD LYS 31 -4.997 30.811 -8.984 250 2HD LYS 31 2HD LYS 31 -4.544 32.507 -8.804 251 1HE LYS 31 1HE LYS 31 -2.945 32.099 -10.755 252 2HE LYS 31 2HE LYS 31 -3.838 30.604 -11.017 253 1HZ LYS 31 1HZ LYS 31 -5.689 31.717 -11.693 254 2HZ LYS 31 2HZ LYS 31 -4.515 32.819 -12.212 255 3HZ LYS 31 3HZ LYS 31 -5.357 33.096 -10.770 256 H GLN 32 H GLN 32 -3.688 32.538 -4.677 257 HA GLN 32 HA GLN 32 -2.613 34.902 -5.765 258 1HB GLN 32 1HB GLN 32 -4.853 34.645 -4.629 259 2HB GLN 32 2HB GLN 32 -3.998 34.650 -3.094 260 1HG GLN 32 1HG GLN 32 -4.667 36.844 -3.313 261 2HG GLN 32 2HG GLN 32 -3.008 36.886 -3.910 262 1HE2 GLN 32 1HE2 GLN 32 -2.745 38.009 -5.690 263 2HE2 GLN 32 2HE2 GLN 32 -3.923 38.257 -6.929 264 H PHE 33 H PHE 33 -1.949 33.211 -2.683 265 HA PHE 33 HA PHE 33 -0.102 35.133 -1.754 266 1HB PHE 33 1HB PHE 33 -1.026 33.878 -0.065 267 2HB PHE 33 2HB PHE 33 -0.939 32.380 -0.976 268 HD1 PHE 33 HD1 PHE 33 1.552 34.884 0.302 269 HD2 PHE 33 HD2 PHE 33 0.345 30.816 -0.011 270 HE1 PHE 33 HE1 PHE 33 3.526 34.198 1.612 271 HE2 PHE 33 HE2 PHE 33 2.317 30.122 1.284 272 HZ PHE 33 HZ PHE 33 3.912 31.808 2.096 273 H PHE 34 H PHE 34 0.350 32.021 -3.429 274 HA PHE 34 HA PHE 34 3.196 32.295 -3.403 275 1HB PHE 34 1HB PHE 34 1.301 30.310 -4.571 276 2HB PHE 34 2HB PHE 34 2.983 30.323 -5.103 277 HD1 PHE 34 HD1 PHE 34 0.790 29.982 -2.146 278 HD2 PHE 34 HD2 PHE 34 4.710 29.498 -3.732 279 HE1 PHE 34 HE1 PHE 34 1.464 28.779 -0.108 280 HE2 PHE 34 HE2 PHE 34 5.388 28.290 -1.700 281 HZ PHE 34 HZ PHE 34 3.767 27.937 0.121 282 H ASN 35 H ASN 35 0.693 33.060 -5.777 283 HA ASN 35 HA ASN 35 2.296 33.359 -8.036 284 1HB ASN 35 1HB ASN 35 -0.242 34.686 -7.151 285 2HB ASN 35 2HB ASN 35 0.580 35.267 -8.594 286 1HD2 ASN 35 1HD2 ASN 35 0.642 31.893 -7.657 287 2HD2 ASN 35 2HD2 ASN 35 -0.371 31.330 -8.935 288 H ASP 36 H ASP 36 1.934 35.433 -5.266 289 HA ASP 36 HA ASP 36 3.081 37.784 -6.272 290 1HB ASP 36 1HB ASP 36 3.128 36.741 -3.435 291 2HB ASP 36 2HB ASP 36 3.436 38.402 -3.927 292 H ASN 37 H ASN 37 4.531 34.785 -5.561 293 HA ASN 37 HA ASN 37 7.191 36.034 -5.387 294 1HB ASN 37 1HB ASN 37 8.027 34.002 -4.413 295 2HB ASN 37 2HB ASN 37 6.574 34.489 -3.544 296 1HD2 ASN 37 1HD2 ASN 37 5.360 32.847 -3.020 297 2HD2 ASN 37 2HD2 ASN 37 5.116 31.412 -3.949 298 H GLY 38 H GLY 38 5.200 34.112 -7.464 299 1HA GLY 38 1HA GLY 38 6.142 34.309 -9.816 300 2HA GLY 38 2HA GLY 38 7.565 33.543 -9.141 301 H VAL 39 H VAL 39 4.641 32.322 -7.844 302 HA VAL 39 HA VAL 39 5.046 29.847 -9.326 303 HB VAL 39 HB VAL 39 3.041 30.363 -7.127 304 1HG1 VAL 39 1HG1 VAL 39 3.910 27.988 -8.669 305 2HG1 VAL 39 2HG1 VAL 39 2.331 28.385 -7.991 306 3HG1 VAL 39 3HG1 VAL 39 3.608 27.763 -6.944 307 1HG2 VAL 39 1HG2 VAL 39 4.916 30.687 -5.896 308 2HG2 VAL 39 2HG2 VAL 39 5.948 29.826 -7.039 309 3HG2 VAL 39 3HG2 VAL 39 4.939 28.923 -5.908 310 H ASP 40 H ASP 40 3.529 28.882 -10.659 311 HA ASP 40 HA ASP 40 0.933 30.063 -11.054 312 1HB ASP 40 1HB ASP 40 3.144 30.437 -13.050 313 2HB ASP 40 2HB ASP 40 1.468 30.344 -13.586 314 H GLY 41 H GLY 41 0.038 29.017 -13.275 315 1HA GLY 41 1HA GLY 41 0.202 26.940 -14.612 316 2HA GLY 41 2HA GLY 41 0.708 26.138 -13.132 317 H GLU 42 H GLU 42 -0.942 24.635 -13.069 318 HA GLU 42 HA GLU 42 -3.517 25.685 -12.205 319 1HB GLU 42 1HB GLU 42 -3.116 23.960 -14.634 320 2HB GLU 42 2HB GLU 42 -4.628 23.921 -13.734 321 1HG GLU 42 1HG GLU 42 -3.395 26.334 -15.047 322 2HG GLU 42 2HG GLU 42 -4.790 25.421 -15.625 323 H TRP 43 H TRP 43 -4.820 24.136 -11.091 324 HA TRP 43 HA TRP 43 -3.273 22.306 -9.538 325 1HB TRP 43 1HB TRP 43 -6.221 22.937 -9.624 326 2HB TRP 43 2HB TRP 43 -5.534 21.742 -8.530 327 HD1 TRP 43 HD1 TRP 43 -5.886 25.480 -9.031 328 HE1 TRP 43 HE1 TRP 43 -4.969 26.701 -6.959 329 HE3 TRP 43 HE3 TRP 43 -3.729 21.512 -6.634 330 HZ2 TRP 43 HZ2 TRP 43 -3.525 26.067 -4.619 331 HZ3 TRP 43 HZ3 TRP 43 -2.600 21.905 -4.484 332 HH2 TRP 43 HH2 TRP 43 -2.500 24.137 -3.499 333 H THR 44 H THR 44 -2.720 20.357 -10.075 334 HA THR 44 HA THR 44 -4.422 18.858 -11.947 335 HB THR 44 HB THR 44 -2.409 17.567 -12.516 336 HG1 THR 44 HG1 THR 44 -1.256 17.737 -10.603 337 1HG2 THR 44 1HG2 THR 44 -1.875 20.521 -12.694 338 2HG2 THR 44 2HG2 THR 44 -2.848 19.582 -13.825 339 3HG2 THR 44 3HG2 THR 44 -1.122 19.257 -13.667 340 H TYR 45 H TYR 45 -5.046 16.822 -11.456 341 HA TYR 45 HA TYR 45 -5.229 16.133 -8.700 342 1HB TYR 45 1HB TYR 45 -6.073 14.804 -11.256 343 2HB TYR 45 2HB TYR 45 -6.170 13.934 -9.729 344 HD1 TYR 45 HD1 TYR 45 -7.730 16.363 -11.863 345 HD2 TYR 45 HD2 TYR 45 -7.562 14.930 -7.861 346 HE1 TYR 45 HE1 TYR 45 -9.889 17.442 -11.393 347 HE2 TYR 45 HE2 TYR 45 -9.720 16.004 -7.378 348 HH TYR 45 HH TYR 45 -11.849 16.741 -9.159 349 H ASP 46 H ASP 46 -4.233 14.509 -7.549 350 HA ASP 46 HA ASP 46 -1.577 13.846 -8.332 351 1HB ASP 46 1HB ASP 46 -3.327 13.133 -5.996 352 2HB ASP 46 2HB ASP 46 -1.784 12.317 -6.228 353 H ASP 47 H ASP 47 -0.715 11.642 -8.430 354 HA ASP 47 HA ASP 47 -2.117 10.049 -10.299 355 1HB ASP 47 1HB ASP 47 -0.262 8.413 -9.939 356 2HB ASP 47 2HB ASP 47 0.296 10.045 -10.297 357 H ALA 48 H ALA 48 -3.595 8.519 -10.011 358 HA ALA 48 HA ALA 48 -4.782 7.950 -7.571 359 1HB ALA 48 1HB ALA 48 -5.939 6.135 -8.730 360 2HB ALA 48 2HB ALA 48 -4.803 6.266 -10.071 361 3HB ALA 48 3HB ALA 48 -5.895 7.602 -9.707 362 H THR 49 H THR 49 -4.711 6.259 -6.141 363 HA THR 49 HA THR 49 -2.625 4.230 -6.464 364 HB THR 49 HB THR 49 -2.952 5.828 -3.917 365 HG1 THR 49 HG1 THR 49 -1.033 6.841 -4.507 366 1HG2 THR 49 1HG2 THR 49 -0.723 3.986 -4.741 367 2HG2 THR 49 2HG2 THR 49 -2.040 3.541 -3.655 368 3HG2 THR 49 3HG2 THR 49 -0.911 4.818 -3.198 369 H LYS 50 H LYS 50 -2.926 2.366 -5.063 370 HA LYS 50 HA LYS 50 -5.682 2.143 -4.041 371 1HB LYS 50 1HB LYS 50 -4.109 0.261 -5.767 372 2HB LYS 50 2HB LYS 50 -5.368 -0.358 -4.704 373 1HG LYS 50 1HG LYS 50 -6.933 1.288 -5.803 374 2HG LYS 50 2HG LYS 50 -5.661 1.565 -6.993 375 1HD LYS 50 1HD LYS 50 -6.470 -1.240 -6.411 376 2HD LYS 50 2HD LYS 50 -7.549 -0.240 -7.387 377 1HE LYS 50 1HE LYS 50 -5.459 0.316 -8.767 378 2HE LYS 50 2HE LYS 50 -4.721 -1.066 -7.957 379 1HZ LYS 50 1HZ LYS 50 -7.267 -1.213 -9.473 380 2HZ LYS 50 2HZ LYS 50 -6.364 -2.507 -8.860 381 3HZ LYS 50 3HZ LYS 50 -5.755 -1.582 -10.138 382 H THR 51 H THR 51 -5.741 1.783 -1.950 383 HA THR 51 HA THR 51 -3.443 0.507 -0.637 384 HB THR 51 HB THR 51 -5.625 2.325 0.407 385 HG1 THR 51 HG1 THR 51 -3.885 3.688 0.806 386 1HG2 THR 51 1HG2 THR 51 -5.189 0.732 2.168 387 2HG2 THR 51 2HG2 THR 51 -4.464 2.288 2.570 388 3HG2 THR 51 3HG2 THR 51 -3.452 0.968 1.989 389 H PHE 52 H PHE 52 -3.658 -1.427 0.366 390 HA PHE 52 HA PHE 52 -6.129 -2.873 0.004 391 1HB PHE 52 1HB PHE 52 -3.910 -3.934 -0.370 392 2HB PHE 52 2HB PHE 52 -3.577 -3.778 1.353 393 HD1 PHE 52 HD1 PHE 52 -5.789 -5.398 -1.124 394 HD2 PHE 52 HD2 PHE 52 -4.412 -5.339 2.902 395 HE1 PHE 52 HE1 PHE 52 -6.892 -7.560 -0.719 396 HE2 PHE 52 HE2 PHE 52 -5.511 -7.502 3.314 397 HZ PHE 52 HZ PHE 52 -6.752 -8.616 1.502 398 H THR 53 H THR 53 -7.748 -2.727 1.412 399 HA THR 53 HA THR 53 -7.236 -1.903 4.151 400 HB THR 53 HB THR 53 -9.843 -2.521 2.742 401 HG1 THR 53 HG1 THR 53 -8.522 -0.075 3.285 402 1HG2 THR 53 1HG2 THR 53 -9.312 -1.234 5.406 403 2HG2 THR 53 2HG2 THR 53 -10.218 -2.713 5.086 404 3HG2 THR 53 3HG2 THR 53 -10.854 -1.156 4.553 405 H VAL 54 H VAL 54 -6.964 -3.289 5.777 406 HA VAL 54 HA VAL 54 -7.147 -6.103 5.375 407 HB VAL 54 HB VAL 54 -6.948 -4.801 8.080 408 1HG1 VAL 54 1HG1 VAL 54 -5.452 -6.798 8.455 409 2HG1 VAL 54 2HG1 VAL 54 -6.008 -7.401 6.895 410 3HG1 VAL 54 3HG1 VAL 54 -7.161 -7.154 8.207 411 1HG2 VAL 54 1HG2 VAL 54 -4.428 -4.942 7.666 412 2HG2 VAL 54 2HG2 VAL 54 -5.301 -3.610 6.909 413 3HG2 VAL 54 3HG2 VAL 54 -4.838 -5.019 5.952 414 H THR 55 H THR 55 -8.454 -7.594 6.587 415 HA THR 55 HA THR 55 -10.859 -6.567 7.845 416 HB THR 55 HB THR 55 -10.992 -8.370 5.423 417 HG1 THR 55 HG1 THR 55 -12.068 -6.579 4.497 418 1HG2 THR 55 1HG2 THR 55 -13.332 -7.110 6.797 419 2HG2 THR 55 2HG2 THR 55 -12.742 -8.710 7.247 420 3HG2 THR 55 3HG2 THR 55 -13.310 -8.408 5.604 421 H GLU 56 H GLU 56 -9.873 -9.669 6.431 422 HA GLU 56 HA GLU 56 -9.628 -11.748 7.320 423 1HB GLU 56 1HB GLU 56 -9.097 -10.355 9.945 424 2HB GLU 56 2HB GLU 56 -8.556 -11.955 9.453 425 1HG GLU 56 1HG GLU 56 -6.995 -11.074 7.931 426 2HG GLU 56 2HG GLU 56 -7.706 -9.463 8.015 427 1H MET 1 1H MET 1 -11.254 17.323 1.253 428 2H MET 1 2H MET 1 -10.032 18.339 1.903 429 3H MET 1 3H MET 1 -10.136 16.696 2.391 430 HA MET 1 HA MET 1 -9.527 15.943 0.277 431 1HB MET 1 1HB MET 1 -10.172 18.751 -0.398 432 2HB MET 1 2HB MET 1 -8.799 18.063 -1.256 433 1HG MET 1 1HG MET 1 -11.089 16.277 -1.203 434 2HG MET 1 2HG MET 1 -11.450 17.832 -1.955 435 1HE MET 1 1HE MET 1 -7.722 16.549 -2.134 436 2HE MET 1 2HE MET 1 -7.880 15.260 -3.327 437 3HE MET 1 3HE MET 1 -8.675 15.112 -1.760 438 H GLN 2 H GLN 2 -7.376 15.582 -0.166 439 HA GLN 2 HA GLN 2 -5.503 16.831 1.678 440 1HB GLN 2 1HB GLN 2 -5.557 14.357 1.366 441 2HB GLN 2 2HB GLN 2 -5.038 14.588 -0.298 442 1HG GLN 2 1HG GLN 2 -2.982 15.685 0.554 443 2HG GLN 2 2HG GLN 2 -3.495 15.275 2.190 444 1HE2 GLN 2 1HE2 GLN 2 -3.599 13.069 2.788 445 2HE2 GLN 2 2HE2 GLN 2 -2.669 11.878 1.953 446 H TYR 3 H TYR 3 -4.227 18.469 1.118 447 HA TYR 3 HA TYR 3 -3.863 19.011 -1.747 448 1HB TYR 3 1HB TYR 3 -4.058 20.803 0.645 449 2HB TYR 3 2HB TYR 3 -3.230 21.358 -0.808 450 HD1 TYR 3 HD1 TYR 3 -6.388 20.951 0.802 451 HD2 TYR 3 HD2 TYR 3 -4.536 21.269 -3.015 452 HE1 TYR 3 HE1 TYR 3 -8.552 21.570 -0.190 453 HE2 TYR 3 HE2 TYR 3 -6.693 21.891 -4.016 454 HH TYR 3 HH TYR 3 -9.149 21.539 -3.466 455 H LYS 4 H LYS 4 -1.961 18.993 -2.624 456 HA LYS 4 HA LYS 4 0.407 18.646 -0.905 457 1HB LYS 4 1HB LYS 4 -0.350 17.608 -3.592 458 2HB LYS 4 2HB LYS 4 1.356 17.906 -3.285 459 1HG LYS 4 1HG LYS 4 0.908 16.515 -1.119 460 2HG LYS 4 2HG LYS 4 -0.477 15.917 -2.037 461 1HD LYS 4 1HD LYS 4 1.117 15.359 -3.893 462 2HD LYS 4 2HD LYS 4 2.437 15.755 -2.791 463 1HE LYS 4 1HE LYS 4 2.096 13.904 -1.495 464 2HE LYS 4 2HE LYS 4 0.371 13.839 -1.855 465 1HZ LYS 4 1HZ LYS 4 0.736 12.750 -3.837 466 2HZ LYS 4 2HZ LYS 4 1.936 12.072 -2.854 467 3HZ LYS 4 3HZ LYS 4 2.340 13.277 -3.972 468 H VAL 5 H VAL 5 1.965 20.135 -0.879 469 HA VAL 5 HA VAL 5 2.231 22.001 -3.118 470 HB VAL 5 HB VAL 5 2.139 23.012 -0.278 471 1HG1 VAL 5 1HG1 VAL 5 1.936 24.519 -2.877 472 2HG1 VAL 5 2HG1 VAL 5 3.445 24.280 -1.997 473 3HG1 VAL 5 3HG1 VAL 5 2.125 25.188 -1.257 474 1HG2 VAL 5 1HG2 VAL 5 -0.069 23.999 -0.927 475 2HG2 VAL 5 2HG2 VAL 5 -0.074 22.242 -0.758 476 3HG2 VAL 5 3HG2 VAL 5 -0.039 22.973 -2.361 477 H ILE 6 H ILE 6 4.302 22.285 -3.662 478 HA ILE 6 HA ILE 6 6.370 21.274 -1.861 479 HB ILE 6 HB ILE 6 6.710 22.193 -4.714 480 1HG1 ILE 6 1HG1 ILE 6 6.216 19.382 -3.705 481 2HG1 ILE 6 2HG1 ILE 6 5.034 20.370 -4.557 482 1HG2 ILE 6 1HG2 ILE 6 8.641 20.486 -4.486 483 2HG2 ILE 6 2HG2 ILE 6 8.411 20.711 -2.751 484 3HG2 ILE 6 3HG2 ILE 6 8.823 22.089 -3.772 485 1HD1 ILE 6 1HD1 ILE 6 6.030 18.787 -6.069 486 2HD1 ILE 6 2HD1 ILE 6 7.648 19.359 -5.652 487 3HD1 ILE 6 3HD1 ILE 6 6.529 20.422 -6.510 488 H LEU 7 H LEU 7 7.587 22.621 -0.673 489 HA LEU 7 HA LEU 7 8.079 25.335 -1.668 490 1HB LEU 7 1HB LEU 7 6.797 24.530 0.883 491 2HB LEU 7 2HB LEU 7 7.996 25.803 0.988 492 HG LEU 7 HG LEU 7 6.526 26.758 -1.055 493 1HD1 LEU 7 1HD1 LEU 7 5.020 24.622 -0.459 494 2HD1 LEU 7 2HD1 LEU 7 4.357 26.132 -1.088 495 3HD1 LEU 7 3HD1 LEU 7 4.311 25.802 0.645 496 1HD2 LEU 7 1HD2 LEU 7 7.109 27.584 1.416 497 2HD2 LEU 7 2HD2 LEU 7 5.388 27.270 1.632 498 3HD2 LEU 7 3HD2 LEU 7 5.928 28.404 0.394 499 H ASN 8 H ASN 8 10.227 25.437 -1.960 500 HA ASN 8 HA ASN 8 11.993 24.776 0.225 501 1HB ASN 8 1HB ASN 8 11.735 22.603 -0.939 502 2HB ASN 8 2HB ASN 8 12.308 23.352 -2.428 503 1HD2 ASN 8 1HD2 ASN 8 13.276 21.273 -0.304 504 2HD2 ASN 8 2HD2 ASN 8 14.948 21.674 -0.135 505 H GLY 9 H GLY 9 13.127 26.598 0.351 506 1HA GLY 9 1HA GLY 9 13.537 28.375 -1.814 507 2HA GLY 9 2HA GLY 9 14.348 28.448 -0.255 508 H LYS 10 H LYS 10 14.578 27.510 -3.556 509 HA LYS 10 HA LYS 10 17.429 27.272 -3.362 510 1HB LYS 10 1HB LYS 10 16.495 24.987 -2.684 511 2HB LYS 10 2HB LYS 10 15.983 24.825 -4.358 512 1HG LYS 10 1HG LYS 10 18.807 25.563 -3.898 513 2HG LYS 10 2HG LYS 10 18.323 23.925 -3.458 514 1HD LYS 10 1HD LYS 10 17.538 23.493 -5.683 515 2HD LYS 10 2HD LYS 10 17.777 25.179 -6.145 516 1HE LYS 10 1HE LYS 10 19.995 23.340 -5.265 517 2HE LYS 10 2HE LYS 10 19.553 23.613 -6.948 518 1HZ LYS 10 1HZ LYS 10 20.681 25.551 -5.019 519 2HZ LYS 10 2HZ LYS 10 19.929 26.051 -6.448 520 3HZ LYS 10 3HZ LYS 10 21.309 25.075 -6.516 521 H THR 11 H THR 11 17.870 28.624 -4.989 522 HA THR 11 HA THR 11 17.290 27.850 -7.679 523 HB THR 11 HB THR 11 15.155 28.886 -7.209 524 HG1 THR 11 HG1 THR 11 15.210 30.496 -8.792 525 1HG2 THR 11 1HG2 THR 11 16.247 31.581 -6.761 526 2HG2 THR 11 2HG2 THR 11 16.348 30.460 -5.404 527 3HG2 THR 11 3HG2 THR 11 14.782 30.823 -6.134 528 H LEU 12 H LEU 12 18.333 29.242 -9.258 529 HA LEU 12 HA LEU 12 20.451 30.918 -8.077 530 1HB LEU 12 1HB LEU 12 20.820 29.416 -10.645 531 2HB LEU 12 2HB LEU 12 22.039 30.085 -9.578 532 HG LEU 12 HG LEU 12 20.297 27.761 -8.780 533 1HD1 LEU 12 1HD1 LEU 12 21.899 26.244 -9.555 534 2HD1 LEU 12 2HD1 LEU 12 23.099 27.510 -9.823 535 3HD1 LEU 12 3HD1 LEU 12 21.697 27.384 -10.884 536 1HD2 LEU 12 1HD2 LEU 12 22.527 29.266 -7.590 537 2HD2 LEU 12 2HD2 LEU 12 22.652 27.512 -7.471 538 3HD2 LEU 12 3HD2 LEU 12 21.238 28.342 -6.819 539 H LYS 13 H LYS 13 20.235 32.972 -8.645 540 HA LYS 13 HA LYS 13 19.627 33.674 -11.395 541 1HB LYS 13 1HB LYS 13 17.550 33.580 -9.553 542 2HB LYS 13 2HB LYS 13 17.991 35.280 -9.593 543 1HG LYS 13 1HG LYS 13 17.904 34.882 -12.200 544 2HG LYS 13 2HG LYS 13 16.828 33.567 -11.718 545 1HD LYS 13 1HD LYS 13 15.560 35.277 -10.354 546 2HD LYS 13 2HD LYS 13 16.517 36.512 -11.172 547 1HE LYS 13 1HE LYS 13 15.693 35.695 -13.337 548 2HE LYS 13 2HE LYS 13 14.716 34.488 -12.500 549 1HZ LYS 13 1HZ LYS 13 13.532 36.574 -13.188 550 2HZ LYS 13 2HZ LYS 13 14.430 37.398 -12.012 551 3HZ LYS 13 3HZ LYS 13 13.374 36.159 -11.553 552 H GLY 14 H GLY 14 19.568 36.208 -11.544 553 1HA GLY 14 1HA GLY 14 22.094 37.121 -10.607 554 2HA GLY 14 2HA GLY 14 20.892 38.090 -11.448 555 H GLU 15 H GLU 15 18.794 37.583 -9.514 556 HA GLU 15 HA GLU 15 19.594 39.562 -7.543 557 1HB GLU 15 1HB GLU 15 16.941 38.313 -8.252 558 2HB GLU 15 2HB GLU 15 17.141 39.417 -6.899 559 1HG GLU 15 1HG GLU 15 17.417 41.235 -8.238 560 2HG GLU 15 2HG GLU 15 18.116 40.297 -9.557 561 H THR 16 H THR 16 19.981 39.164 -5.444 562 HA THR 16 HA THR 16 19.141 36.615 -4.284 563 HB THR 16 HB THR 16 21.984 37.611 -4.038 564 HG1 THR 16 HG1 THR 16 22.514 35.985 -5.493 565 1HG2 THR 16 1HG2 THR 16 20.613 35.782 -2.488 566 2HG2 THR 16 2HG2 THR 16 22.363 35.960 -2.614 567 3HG2 THR 16 3HG2 THR 16 21.521 34.790 -3.630 568 H THR 17 H THR 17 17.727 37.622 -2.911 569 HA THR 17 HA THR 17 18.944 39.363 -0.871 570 HB THR 17 HB THR 17 16.113 39.578 -1.910 571 HG1 THR 17 HG1 THR 17 18.326 41.279 -2.398 572 1HG2 THR 17 1HG2 THR 17 17.609 40.966 0.226 573 2HG2 THR 17 2HG2 THR 17 15.891 40.587 0.098 574 3HG2 THR 17 3HG2 THR 17 16.564 41.944 -0.804 575 H THR 18 H THR 18 15.857 37.644 -1.373 576 HA THR 18 HA THR 18 16.350 36.129 1.082 577 HB THR 18 HB THR 18 15.042 37.991 1.861 578 HG1 THR 18 HG1 THR 18 14.343 36.127 2.790 579 1HG2 THR 18 1HG2 THR 18 12.886 37.335 -0.116 580 2HG2 THR 18 2HG2 THR 18 14.092 38.589 -0.399 581 3HG2 THR 18 3HG2 THR 18 12.994 38.715 0.976 582 H GLU 19 H GLU 19 14.570 34.424 1.372 583 HA GLU 19 HA GLU 19 14.318 33.027 -1.157 584 1HB GLU 19 1HB GLU 19 13.644 32.181 1.666 585 2HB GLU 19 2HB GLU 19 13.529 31.140 0.253 586 1HG GLU 19 1HG GLU 19 15.993 31.598 -0.111 587 2HG GLU 19 2HG GLU 19 15.994 32.304 1.506 588 H ALA 20 H ALA 20 12.288 31.950 -1.747 589 HA ALA 20 HA ALA 20 9.983 33.683 -1.171 590 1HB ALA 20 1HB ALA 20 10.385 33.790 -3.468 591 2HB ALA 20 2HB ALA 20 9.081 32.614 -3.319 592 3HB ALA 20 3HB ALA 20 10.737 32.066 -3.578 593 H VAL 21 H VAL 21 10.266 30.363 -2.366 594 HA VAL 21 HA VAL 21 8.078 29.566 -0.632 595 HB VAL 21 HB VAL 21 8.324 27.333 -1.812 596 1HG1 VAL 21 1HG1 VAL 21 6.871 29.465 -2.431 597 2HG1 VAL 21 2HG1 VAL 21 6.866 28.004 -3.419 598 3HG1 VAL 21 3HG1 VAL 21 7.850 29.386 -3.895 599 1HG2 VAL 21 1HG2 VAL 21 9.587 27.226 -3.853 600 2HG2 VAL 21 2HG2 VAL 21 10.675 27.691 -2.547 601 3HG2 VAL 21 3HG2 VAL 21 10.092 28.907 -3.684 602 H ASP 22 H ASP 22 9.233 29.783 1.346 603 HA ASP 22 HA ASP 22 11.296 27.758 1.867 604 1HB ASP 22 1HB ASP 22 11.798 30.116 2.459 605 2HB ASP 22 2HB ASP 22 10.424 30.109 3.562 606 H ALA 23 H ALA 23 11.118 26.281 3.470 607 HA ALA 23 HA ALA 23 8.707 25.065 3.960 608 1HB ALA 23 1HB ALA 23 11.363 24.640 4.606 609 2HB ALA 23 2HB ALA 23 10.013 23.552 4.941 610 3HB ALA 23 3HB ALA 23 10.546 24.702 6.170 611 H ALA 24 H ALA 24 10.377 27.471 5.957 612 HA ALA 24 HA ALA 24 8.514 27.447 8.095 613 1HB ALA 24 1HB ALA 24 9.746 29.167 9.013 614 2HB ALA 24 2HB ALA 24 10.150 29.859 7.443 615 3HB ALA 24 3HB ALA 24 10.941 28.380 7.983 616 H THR 25 H THR 25 8.623 29.092 5.027 617 HA THR 25 HA THR 25 6.824 31.185 5.552 618 HB THR 25 HB THR 25 7.415 29.710 2.977 619 HG1 THR 25 HG1 THR 25 8.843 31.378 2.623 620 1HG2 THR 25 1HG2 THR 25 5.621 31.967 3.503 621 2HG2 THR 25 2HG2 THR 25 5.662 30.827 2.155 622 3HG2 THR 25 3HG2 THR 25 6.773 32.200 2.187 623 H PHE 26 H PHE 26 6.333 27.853 4.564 624 HA PHE 26 HA PHE 26 3.535 28.077 4.090 625 1HB PHE 26 1HB PHE 26 5.152 26.216 3.312 626 2HB PHE 26 2HB PHE 26 4.889 25.519 4.907 627 HD1 PHE 26 HD1 PHE 26 3.025 26.779 1.948 628 HD2 PHE 26 HD2 PHE 26 3.102 24.086 5.242 629 HE1 PHE 26 HE1 PHE 26 0.955 25.730 1.132 630 HE2 PHE 26 HE2 PHE 26 1.031 23.030 4.431 631 HZ PHE 26 HZ PHE 26 -0.045 23.853 2.374 632 H GLU 27 H GLU 27 5.469 27.002 6.846 633 HA GLU 27 HA GLU 27 3.440 26.162 8.540 634 1HB GLU 27 1HB GLU 27 5.815 25.775 8.973 635 2HB GLU 27 2HB GLU 27 6.055 27.491 9.262 636 1HG GLU 27 1HG GLU 27 3.991 26.715 10.983 637 2HG GLU 27 2HG GLU 27 5.203 25.436 11.071 638 H LYS 28 H LYS 28 4.988 29.383 8.515 639 HA LYS 28 HA LYS 28 3.267 30.473 10.459 640 1HB LYS 28 1HB LYS 28 5.528 31.342 9.851 641 2HB LYS 28 2HB LYS 28 4.830 31.985 8.370 642 1HG LYS 28 1HG LYS 28 3.284 33.347 9.751 643 2HG LYS 28 2HG LYS 28 4.131 32.774 11.189 644 1HD LYS 28 1HD LYS 28 5.414 34.271 8.904 645 2HD LYS 28 2HD LYS 28 4.909 34.996 10.433 646 1HE LYS 28 1HE LYS 28 6.411 33.100 11.456 647 2HE LYS 28 2HE LYS 28 7.166 33.133 9.862 648 1HZ LYS 28 1HZ LYS 28 7.789 35.366 10.142 649 2HZ LYS 28 2HZ LYS 28 8.177 34.617 11.607 650 3HZ LYS 28 3HZ LYS 28 6.790 35.578 11.490 651 H VAL 29 H VAL 29 3.219 30.827 6.891 652 HA VAL 29 HA VAL 29 1.024 32.578 6.819 653 HB VAL 29 HB VAL 29 1.909 30.626 4.692 654 1HG1 VAL 29 1HG1 VAL 29 -0.370 31.542 4.362 655 2HG1 VAL 29 2HG1 VAL 29 0.772 32.070 3.124 656 3HG1 VAL 29 3HG1 VAL 29 0.309 33.171 4.423 657 1HG2 VAL 29 1HG2 VAL 29 2.602 33.499 4.557 658 2HG2 VAL 29 2HG2 VAL 29 3.516 32.084 4.034 659 3HG2 VAL 29 3HG2 VAL 29 3.473 32.524 5.741 660 H VAL 30 H VAL 30 1.169 29.039 6.622 661 HA VAL 30 HA VAL 30 -1.609 28.739 6.093 662 HB VAL 30 HB VAL 30 0.342 26.692 7.161 663 1HG1 VAL 30 1HG1 VAL 30 -1.801 25.844 7.630 664 2HG1 VAL 30 2HG1 VAL 30 -1.345 25.099 6.096 665 3HG1 VAL 30 3HG1 VAL 30 -2.467 26.459 6.115 666 1HG2 VAL 30 1HG2 VAL 30 0.727 27.847 4.874 667 2HG2 VAL 30 2HG2 VAL 30 -0.637 26.867 4.339 668 3HG2 VAL 30 3HG2 VAL 30 0.813 26.089 4.972 669 H LYS 31 H LYS 31 0.297 28.436 9.119 670 HA LYS 31 HA LYS 31 -1.883 27.666 10.717 671 1HB LYS 31 1HB LYS 31 0.482 27.439 11.398 672 2HB LYS 31 2HB LYS 31 0.609 29.188 11.509 673 1HG LYS 31 1HG LYS 31 -1.420 28.895 13.162 674 2HG LYS 31 2HG LYS 31 -0.757 27.265 13.313 675 1HD LYS 31 1HD LYS 31 1.498 28.451 13.691 676 2HD LYS 31 2HD LYS 31 0.525 29.892 13.986 677 1HE LYS 31 1HE LYS 31 -0.773 28.446 15.652 678 2HE LYS 31 2HE LYS 31 0.571 27.310 15.520 679 1HZ LYS 31 1HZ LYS 31 1.993 28.724 16.573 680 2HZ LYS 31 2HZ LYS 31 0.553 29.173 17.336 681 3HZ LYS 31 3HZ LYS 31 1.174 30.122 16.083 682 H GLN 32 H GLN 32 -0.482 30.842 10.000 683 HA GLN 32 HA GLN 32 -2.187 32.333 11.672 684 1HB GLN 32 1HB GLN 32 -0.035 33.129 10.620 685 2HB GLN 32 2HB GLN 32 -0.916 33.303 9.109 686 1HG GLN 32 1HG GLN 32 -0.963 35.437 9.972 687 2HG GLN 32 2HG GLN 32 -2.521 34.785 10.478 688 1HE2 GLN 32 1HE2 GLN 32 -3.040 35.213 12.489 689 2HE2 GLN 32 2HE2 GLN 32 -1.944 35.457 13.801 690 H PHE 33 H PHE 33 -2.434 31.483 8.205 691 HA PHE 33 HA PHE 33 -4.829 32.916 7.783 692 1HB PHE 33 1HB PHE 33 -3.638 32.554 5.850 693 2HB PHE 33 2HB PHE 33 -3.210 30.911 6.286 694 HD1 PHE 33 HD1 PHE 33 -6.416 32.766 5.664 695 HD2 PHE 33 HD2 PHE 33 -3.983 29.371 4.850 696 HE1 PHE 33 HE1 PHE 33 -8.134 31.906 4.117 697 HE2 PHE 33 HE2 PHE 33 -5.696 28.500 3.315 698 HZ PHE 33 HZ PHE 33 -7.773 29.762 2.948 699 H PHE 34 H PHE 34 -4.210 29.474 8.465 700 HA PHE 34 HA PHE 34 -6.997 28.842 8.382 701 1HB PHE 34 1HB PHE 34 -4.524 27.300 9.023 702 2HB PHE 34 2HB PHE 34 -6.102 26.632 9.452 703 HD1 PHE 34 HD1 PHE 34 -4.045 27.861 6.635 704 HD2 PHE 34 HD2 PHE 34 -7.543 25.742 7.816 705 HE1 PHE 34 HE1 PHE 34 -4.398 27.151 4.306 706 HE2 PHE 34 HE2 PHE 34 -7.899 25.024 5.491 707 HZ PHE 34 HZ PHE 34 -6.331 25.738 3.730 708 H ASN 35 H ASN 35 -4.754 29.632 10.994 709 HA ASN 35 HA ASN 35 -6.262 28.754 13.164 710 1HB ASN 35 1HB ASN 35 -4.310 31.003 12.818 711 2HB ASN 35 2HB ASN 35 -5.205 30.858 14.326 712 1HD2 ASN 35 1HD2 ASN 35 -4.257 28.049 12.463 713 2HD2 ASN 35 2HD2 ASN 35 -3.058 27.490 13.572 714 H ASP 36 H ASP 36 -6.696 31.541 11.126 715 HA ASP 36 HA ASP 36 -8.472 33.023 12.710 716 1HB ASP 36 1HB ASP 36 -8.322 32.878 9.695 717 2HB ASP 36 2HB ASP 36 -9.109 34.147 10.628 718 H ASN 37 H ASN 37 -8.944 30.059 11.096 719 HA ASN 37 HA ASN 37 -11.866 30.411 11.162 720 1HB ASN 37 1HB ASN 37 -12.067 28.593 9.603 721 2HB ASN 37 2HB ASN 37 -10.882 29.734 8.985 722 1HD2 ASN 37 1HD2 ASN 37 -9.248 28.771 8.064 723 2HD2 ASN 37 2HD2 ASN 37 -8.526 27.279 8.555 724 H GLY 38 H GLY 38 -9.283 28.694 12.694 725 1HA GLY 38 1HA GLY 38 -10.131 27.902 14.954 726 2HA GLY 38 2HA GLY 38 -11.272 26.956 14.018 727 H VAL 39 H VAL 39 -8.173 27.141 12.572 728 HA VAL 39 HA VAL 39 -7.714 24.346 13.257 729 HB VAL 39 HB VAL 39 -6.080 26.075 11.397 730 1HG1 VAL 39 1HG1 VAL 39 -6.072 23.215 12.158 731 2HG1 VAL 39 2HG1 VAL 39 -4.739 24.265 11.678 732 3HG1 VAL 39 3HG1 VAL 39 -5.815 23.588 10.454 733 1HG2 VAL 39 1HG2 VAL 39 -8.017 26.129 10.222 734 2HG2 VAL 39 2HG2 VAL 39 -8.669 24.699 11.019 735 3HG2 VAL 39 3HG2 VAL 39 -7.480 24.524 9.727 736 H ASP 40 H ASP 40 -5.915 23.565 14.328 737 HA ASP 40 HA ASP 40 -3.803 25.332 15.173 738 1HB ASP 40 1HB ASP 40 -5.927 24.402 17.081 739 2HB ASP 40 2HB ASP 40 -4.284 24.689 17.649 740 H GLY 41 H GLY 41 -2.529 24.018 17.050 741 1HA GLY 41 1HA GLY 41 -1.973 21.703 17.716 742 2HA GLY 41 2HA GLY 41 -2.271 21.248 16.045 743 H GLU 42 H GLU 42 -0.240 20.418 15.635 744 HA GLU 42 HA GLU 42 1.839 22.416 15.237 745 1HB GLU 42 1HB GLU 42 2.105 20.030 17.043 746 2HB GLU 42 2HB GLU 42 3.511 20.727 16.248 747 1HG GLU 42 1HG GLU 42 1.647 22.145 18.138 748 2HG GLU 42 2HG GLU 42 3.281 21.590 18.495 749 H TRP 43 H TRP 43 3.510 21.738 13.791 750 HA TRP 43 HA TRP 43 2.541 20.047 11.704 751 1HB TRP 43 1HB TRP 43 5.144 21.514 12.108 752 2HB TRP 43 2HB TRP 43 4.812 20.531 10.683 753 HD1 TRP 43 HD1 TRP 43 3.995 23.881 12.260 754 HE1 TRP 43 HE1 TRP 43 2.650 25.298 10.585 755 HE3 TRP 43 HE3 TRP 43 3.095 20.310 8.711 756 HZ2 TRP 43 HZ2 TRP 43 1.377 24.950 8.091 757 HZ3 TRP 43 HZ3 TRP 43 1.805 20.935 6.712 758 HH2 TRP 43 HH2 TRP 43 0.965 23.208 6.409 759 H THR 44 H THR 44 2.653 17.955 11.629 760 HA THR 44 HA THR 44 4.822 16.591 13.073 761 HB THR 44 HB THR 44 3.346 14.631 13.153 762 HG1 THR 44 HG1 THR 44 2.116 14.958 11.312 763 1HG2 THR 44 1HG2 THR 44 1.895 17.078 14.127 764 2HG2 THR 44 2HG2 THR 44 3.180 16.238 14.994 765 3HG2 THR 44 3HG2 THR 44 1.651 15.421 14.673 766 H TYR 45 H TYR 45 6.031 15.086 12.047 767 HA TYR 45 HA TYR 45 6.289 15.312 9.222 768 1HB TYR 45 1HB TYR 45 7.627 13.636 11.322 769 2HB TYR 45 2HB TYR 45 7.918 13.320 9.615 770 HD1 TYR 45 HD1 TYR 45 8.724 15.403 12.431 771 HD2 TYR 45 HD2 TYR 45 8.857 15.181 8.184 772 HE1 TYR 45 HE1 TYR 45 10.415 17.188 12.396 773 HE2 TYR 45 HE2 TYR 45 10.549 16.965 8.138 774 HH TYR 45 HH TYR 45 12.406 17.795 10.161 775 H ASP 46 H ASP 46 5.804 13.859 7.605 776 HA ASP 46 HA ASP 46 3.525 12.204 8.037 777 1HB ASP 46 1HB ASP 46 5.299 12.777 5.683 778 2HB ASP 46 2HB ASP 46 4.102 11.491 5.597 779 H ASP 47 H ASP 47 3.398 9.914 7.461 780 HA ASP 47 HA ASP 47 5.313 8.370 8.854 781 1HB ASP 47 1HB ASP 47 4.045 6.414 7.949 782 2HB ASP 47 2HB ASP 47 3.027 7.611 8.742 783 H ALA 48 H ALA 48 7.176 7.526 8.206 784 HA ALA 48 HA ALA 48 8.362 8.084 5.764 785 1HB ALA 48 1HB ALA 48 10.077 6.456 6.404 786 2HB ALA 48 2HB ALA 48 9.024 5.860 7.686 787 3HB ALA 48 3HB ALA 48 9.639 7.512 7.747 788 H THR 49 H THR 49 8.761 6.935 3.910 789 HA THR 49 HA THR 49 7.427 4.358 3.537 790 HB THR 49 HB THR 49 7.122 6.645 1.585 791 HG1 THR 49 HG1 THR 49 5.019 6.794 2.342 792 1HG2 THR 49 1HG2 THR 49 5.648 4.029 1.706 793 2HG2 THR 49 2HG2 THR 49 6.977 4.384 0.602 794 3HG2 THR 49 3HG2 THR 49 5.473 5.298 0.495 795 H LYS 50 H LYS 50 8.228 3.164 1.676 796 HA LYS 50 HA LYS 50 10.867 4.114 0.767 797 1HB LYS 50 1HB LYS 50 10.044 1.424 1.802 798 2HB LYS 50 2HB LYS 50 11.381 1.562 0.671 799 1HG LYS 50 1HG LYS 50 12.402 3.228 2.268 800 2HG LYS 50 2HG LYS 50 11.162 2.738 3.425 801 1HD LYS 50 1HD LYS 50 12.782 0.620 2.104 802 2HD LYS 50 2HD LYS 50 13.538 1.583 3.375 803 1HE LYS 50 1HE LYS 50 11.452 1.037 4.761 804 2HE LYS 50 2HE LYS 50 11.136 -0.208 3.551 805 1HZ LYS 50 1HZ LYS 50 13.679 0.001 5.063 806 2HZ LYS 50 2HZ LYS 50 13.178 -1.274 4.070 807 3HZ LYS 50 3HZ LYS 50 12.387 -0.985 5.536 808 H THR 51 H THR 51 10.941 4.409 -1.331 809 HA THR 51 HA THR 51 9.100 2.919 -3.070 810 HB THR 51 HB THR 51 10.563 5.542 -3.437 811 HG1 THR 51 HG1 THR 51 8.457 6.346 -3.534 812 1HG2 THR 51 1HG2 THR 51 10.563 4.463 -5.599 813 2HG2 THR 51 2HG2 THR 51 9.386 5.777 -5.574 814 3HG2 THR 51 3HG2 THR 51 8.842 4.104 -5.447 815 H PHE 52 H PHE 52 9.862 1.521 -4.570 816 HA PHE 52 HA PHE 52 12.675 0.877 -4.516 817 1HB PHE 52 1HB PHE 52 10.921 -0.884 -4.574 818 2HB PHE 52 2HB PHE 52 10.475 -0.349 -6.190 819 HD1 PHE 52 HD1 PHE 52 13.194 -1.846 -4.186 820 HD2 PHE 52 HD2 PHE 52 11.687 -1.047 -8.085 821 HE1 PHE 52 HE1 PHE 52 14.897 -3.339 -5.146 822 HE2 PHE 52 HE2 PHE 52 13.387 -2.539 -9.052 823 HZ PHE 52 HZ PHE 52 14.995 -3.688 -7.582 824 H THR 53 H THR 53 14.103 1.919 -5.739 825 HA THR 53 HA THR 53 13.242 3.296 -8.147 826 HB THR 53 HB THR 53 15.972 3.136 -6.851 827 HG1 THR 53 HG1 THR 53 13.935 5.101 -6.726 828 1HG2 THR 53 1HG2 THR 53 14.948 4.915 -9.046 829 2HG2 THR 53 2HG2 THR 53 16.276 3.759 -9.132 830 3HG2 THR 53 3HG2 THR 53 16.431 5.208 -8.137 831 H VAL 54 H VAL 54 13.341 2.423 -10.114 832 HA VAL 54 HA VAL 54 14.413 -0.183 -10.530 833 HB VAL 54 HB VAL 54 13.695 1.706 -12.757 834 1HG1 VAL 54 1HG1 VAL 54 12.868 -0.465 -13.748 835 2HG1 VAL 54 2HG1 VAL 54 13.662 -1.280 -12.400 836 3HG1 VAL 54 3HG1 VAL 54 14.614 -0.327 -13.539 837 1HG2 VAL 54 1HG2 VAL 54 11.362 0.680 -12.515 838 2HG2 VAL 54 2HG2 VAL 54 11.813 1.950 -11.379 839 3HG2 VAL 54 3HG2 VAL 54 11.853 0.260 -10.875 840 H THR 55 H THR 55 16.067 -0.779 -12.045 841 HA THR 55 HA THR 55 17.966 1.266 -12.846 842 HB THR 55 HB THR 55 18.771 -1.017 -11.038 843 HG1 THR 55 HG1 THR 55 19.273 0.677 -9.587 844 1HG2 THR 55 1HG2 THR 55 20.529 1.253 -11.883 845 2HG2 THR 55 2HG2 THR 55 20.452 -0.254 -12.796 846 3HG2 THR 55 3HG2 THR 55 20.973 -0.269 -11.110 847 H GLU 56 H GLU 56 18.071 -2.256 -12.427 848 HA GLU 56 HA GLU 56 18.447 -3.961 -13.886 849 1HB GLU 56 1HB GLU 56 17.395 -2.110 -16.026 850 2HB GLU 56 2HB GLU 56 17.406 -3.866 -16.044 851 1HG GLU 56 1HG GLU 56 15.713 -3.996 -14.416 852 2HG GLU 56 2HG GLU 56 15.879 -2.293 -13.997 853 1H MET 1 1H MET 1 6.189 -0.641 8.843 854 2H MET 1 2H MET 1 5.405 -1.496 7.581 855 3H MET 1 3H MET 1 4.613 -0.184 8.351 856 HA MET 1 HA MET 1 6.129 1.351 7.480 857 1HB MET 1 1HB MET 1 7.624 -1.143 6.932 858 2HB MET 1 2HB MET 1 7.749 0.104 5.700 859 1HG MET 1 1HG MET 1 8.102 1.144 8.390 860 2HG MET 1 2HG MET 1 9.278 -0.104 7.976 861 1HE MET 1 1HE MET 1 7.779 2.040 5.033 862 2HE MET 1 2HE MET 1 8.625 3.569 5.267 863 3HE MET 1 3HE MET 1 7.469 3.007 6.475 864 H GLN 2 H GLN 2 5.656 2.343 5.549 865 HA GLN 2 HA GLN 2 3.619 1.032 3.938 866 1HB GLN 2 1HB GLN 2 3.321 3.373 4.738 867 2HB GLN 2 2HB GLN 2 4.692 3.854 3.747 868 1HG GLN 2 1HG GLN 2 3.456 3.072 1.747 869 2HG GLN 2 2HG GLN 2 2.064 2.750 2.784 870 1HE2 GLN 2 1HE2 GLN 2 1.017 4.514 3.797 871 2HE2 GLN 2 2HE2 GLN 2 1.139 6.111 3.148 872 H TYR 3 H TYR 3 4.055 0.039 2.080 873 HA TYR 3 HA TYR 3 6.638 0.600 0.795 874 1HB TYR 3 1HB TYR 3 4.974 -1.882 1.006 875 2HB TYR 3 2HB TYR 3 6.117 -1.697 -0.321 876 HD1 TYR 3 HD1 TYR 3 5.706 -2.633 3.098 877 HD2 TYR 3 HD2 TYR 3 8.556 -1.194 0.287 878 HE1 TYR 3 HE1 TYR 3 7.528 -3.390 4.566 879 HE2 TYR 3 HE2 TYR 3 10.387 -1.947 1.746 880 HH TYR 3 HH TYR 3 10.695 -2.409 4.221 881 H LYS 4 H LYS 4 6.740 1.376 -1.148 882 HA LYS 4 HA LYS 4 4.256 1.686 -2.700 883 1HB LYS 4 1HB LYS 4 6.702 3.356 -2.386 884 2HB LYS 4 2HB LYS 4 5.882 3.394 -3.942 885 1HG LYS 4 1HG LYS 4 3.758 3.812 -2.475 886 2HG LYS 4 2HG LYS 4 4.946 4.341 -1.281 887 1HD LYS 4 1HD LYS 4 5.898 5.857 -3.040 888 2HD LYS 4 2HD LYS 4 4.517 5.434 -4.057 889 1HE LYS 4 1HE LYS 4 3.036 6.602 -2.770 890 2HE LYS 4 2HE LYS 4 3.969 6.369 -1.292 891 1HZ LYS 4 1HZ LYS 4 5.378 8.108 -1.806 892 2HZ LYS 4 2HZ LYS 4 3.886 8.691 -2.350 893 3HZ LYS 4 3HZ LYS 4 5.008 8.078 -3.458 894 H VAL 5 H VAL 5 4.026 0.693 -4.597 895 HA VAL 5 HA VAL 5 6.396 -0.181 -6.077 896 HB VAL 5 HB VAL 5 4.110 -2.082 -5.568 897 1HG1 VAL 5 1HG1 VAL 5 6.889 -2.616 -6.603 898 2HG1 VAL 5 2HG1 VAL 5 5.487 -2.346 -7.638 899 3HG1 VAL 5 3HG1 VAL 5 5.527 -3.735 -6.551 900 1HG2 VAL 5 1HG2 VAL 5 5.714 -3.292 -4.083 901 2HG2 VAL 5 2HG2 VAL 5 5.160 -1.743 -3.443 902 3HG2 VAL 5 3HG2 VAL 5 6.766 -1.878 -4.155 903 H ILE 6 H ILE 6 6.202 0.248 -8.184 904 HA ILE 6 HA ILE 6 3.588 1.054 -9.213 905 HB ILE 6 HB ILE 6 6.255 1.267 -10.606 906 1HG1 ILE 6 1HG1 ILE 6 4.847 3.358 -8.931 907 2HG1 ILE 6 2HG1 ILE 6 6.286 2.471 -8.439 908 1HG2 ILE 6 1HG2 ILE 6 4.944 3.202 -11.710 909 2HG2 ILE 6 2HG2 ILE 6 3.517 2.364 -11.103 910 3HG2 ILE 6 3HG2 ILE 6 4.612 1.545 -12.216 911 1HD1 ILE 6 1HD1 ILE 6 6.892 4.667 -9.211 912 2HD1 ILE 6 2HD1 ILE 6 6.067 4.390 -10.744 913 3HD1 ILE 6 3HD1 ILE 6 7.505 3.454 -10.335 914 H LEU 7 H LEU 7 2.400 -0.274 -10.451 915 HA LEU 7 HA LEU 7 3.768 -2.289 -12.084 916 1HB LEU 7 1HB LEU 7 1.739 -2.730 -9.967 917 2HB LEU 7 2HB LEU 7 1.514 -3.631 -11.454 918 HG LEU 7 HG LEU 7 4.114 -4.169 -11.009 919 1HD1 LEU 7 1HD1 LEU 7 3.609 -2.797 -8.761 920 2HD1 LEU 7 2HD1 LEU 7 4.782 -4.112 -8.856 921 3HD1 LEU 7 3HD1 LEU 7 3.162 -4.418 -8.230 922 1HD2 LEU 7 1HD2 LEU 7 1.876 -5.614 -11.150 923 2HD2 LEU 7 2HD2 LEU 7 2.222 -5.817 -9.433 924 3HD2 LEU 7 3HD2 LEU 7 3.417 -6.301 -10.636 925 H ASN 8 H ASN 8 3.285 -1.771 -14.133 926 HA ASN 8 HA ASN 8 0.528 -1.479 -14.929 927 1HB ASN 8 1HB ASN 8 1.143 0.828 -14.252 928 2HB ASN 8 2HB ASN 8 2.456 0.801 -15.425 929 1HD2 ASN 8 1HD2 ASN 8 -0.298 2.207 -15.019 930 2HD2 ASN 8 2HD2 ASN 8 -0.963 2.185 -16.614 931 H GLY 9 H GLY 9 0.433 -2.843 -16.585 932 1HA GLY 9 1HA GLY 9 2.607 -3.784 -18.059 933 2HA GLY 9 2HA GLY 9 0.926 -3.908 -18.555 934 H LYS 10 H LYS 10 0.367 -1.142 -18.796 935 HA LYS 10 HA LYS 10 0.406 0.499 -20.370 936 1HB LYS 10 1HB LYS 10 2.599 0.940 -19.249 937 2HB LYS 10 2HB LYS 10 3.378 -0.046 -20.478 938 1HG LYS 10 1HG LYS 10 2.523 1.515 -22.203 939 2HG LYS 10 2HG LYS 10 1.882 2.531 -20.911 940 1HD LYS 10 1HD LYS 10 4.154 2.793 -20.009 941 2HD LYS 10 2HD LYS 10 4.782 1.802 -21.330 942 1HE LYS 10 1HE LYS 10 3.843 3.466 -22.930 943 2HE LYS 10 2HE LYS 10 3.413 4.479 -21.554 944 1HZ LYS 10 1HZ LYS 10 5.552 5.068 -22.634 945 2HZ LYS 10 2HZ LYS 10 6.180 3.578 -22.134 946 3HZ LYS 10 3HZ LYS 10 5.696 4.720 -20.983 947 H THR 11 H THR 11 -0.626 -1.522 -21.521 948 HA THR 11 HA THR 11 0.823 -1.913 -24.059 949 HB THR 11 HB THR 11 -0.368 -4.068 -24.277 950 HG1 THR 11 HG1 THR 11 -1.295 -3.466 -21.666 951 1HG2 THR 11 1HG2 THR 11 1.158 -5.223 -23.130 952 2HG2 THR 11 2HG2 THR 11 0.755 -4.436 -21.602 953 3HG2 THR 11 3HG2 THR 11 1.826 -3.636 -22.749 954 H LEU 12 H LEU 12 -0.129 -1.084 -25.797 955 HA LEU 12 HA LEU 12 -2.956 -1.138 -26.193 956 1HB LEU 12 1HB LEU 12 -2.227 0.932 -24.647 957 2HB LEU 12 2HB LEU 12 -1.956 1.652 -26.223 958 HG LEU 12 HG LEU 12 -4.403 0.753 -26.680 959 1HD1 LEU 12 1HD1 LEU 12 -4.782 1.443 -23.819 960 2HD1 LEU 12 2HD1 LEU 12 -4.251 -0.193 -24.215 961 3HD1 LEU 12 3HD1 LEU 12 -5.760 0.430 -24.881 962 1HD2 LEU 12 1HD2 LEU 12 -3.298 3.181 -26.306 963 2HD2 LEU 12 2HD2 LEU 12 -4.437 3.144 -24.960 964 3HD2 LEU 12 3HD2 LEU 12 -5.016 2.922 -26.611 965 H LYS 13 H LYS 13 -1.031 -2.238 -27.714 966 HA LYS 13 HA LYS 13 -1.398 -0.893 -30.229 967 1HB LYS 13 1HB LYS 13 0.757 0.017 -28.981 968 2HB LYS 13 2HB LYS 13 1.465 -1.460 -29.614 969 1HG LYS 13 1HG LYS 13 0.783 -0.779 -31.884 970 2HG LYS 13 2HG LYS 13 0.167 0.734 -31.216 971 1HD LYS 13 1HD LYS 13 2.380 1.083 -32.133 972 2HD LYS 13 2HD LYS 13 2.428 1.250 -30.378 973 1HE LYS 13 1HE LYS 13 3.688 -0.617 -30.097 974 2HE LYS 13 2HE LYS 13 2.958 -1.446 -31.472 975 1HZ LYS 13 1HZ LYS 13 4.240 0.251 -32.865 976 2HZ LYS 13 2HZ LYS 13 5.117 -1.015 -32.157 977 3HZ LYS 13 3HZ LYS 13 5.151 0.531 -31.463 978 H GLY 14 H GLY 14 -2.091 -2.535 -31.428 979 1HA GLY 14 1HA GLY 14 -1.913 -4.492 -32.661 980 2HA GLY 14 2HA GLY 14 -0.398 -4.834 -31.840 981 H GLU 15 H GLU 15 -0.652 -6.867 -31.125 982 HA GLU 15 HA GLU 15 -3.160 -7.675 -29.889 983 1HB GLU 15 1HB GLU 15 -0.639 -9.256 -30.423 984 2HB GLU 15 2HB GLU 15 -2.156 -9.920 -29.833 985 1HG GLU 15 1HG GLU 15 -3.220 -9.052 -31.947 986 2HG GLU 15 2HG GLU 15 -1.588 -8.726 -32.528 987 H THR 16 H THR 16 -2.710 -9.277 -27.917 988 HA THR 16 HA THR 16 -1.647 -7.580 -25.840 989 HB THR 16 HB THR 16 -3.727 -8.768 -25.441 990 HG1 THR 16 HG1 THR 16 -3.199 -9.614 -23.451 991 1HG2 THR 16 1HG2 THR 16 -2.738 -11.417 -25.003 992 2HG2 THR 16 2HG2 THR 16 -2.485 -10.943 -26.684 993 3HG2 THR 16 3HG2 THR 16 -4.103 -10.875 -25.980 994 H THR 17 H THR 17 0.582 -7.554 -26.240 995 HA THR 17 HA THR 17 1.965 -9.976 -25.340 996 HB THR 17 HB THR 17 3.676 -9.745 -27.051 997 HG1 THR 17 HG1 THR 17 3.867 -7.968 -28.119 998 1HG2 THR 17 1HG2 THR 17 0.919 -9.759 -28.251 999 2HG2 THR 17 2HG2 THR 17 1.850 -11.156 -27.711 1000 3HG2 THR 17 3HG2 THR 17 2.396 -10.215 -29.100 1001 H THR 18 H THR 18 4.280 -9.497 -24.759 1002 HA THR 18 HA THR 18 5.725 -8.424 -23.370 1003 HB THR 18 HB THR 18 6.374 -6.199 -23.993 1004 HG1 THR 18 HG1 THR 18 4.357 -5.209 -24.088 1005 1HG2 THR 18 1HG2 THR 18 5.787 -6.582 -26.689 1006 2HG2 THR 18 2HG2 THR 18 5.935 -8.200 -25.999 1007 3HG2 THR 18 3HG2 THR 18 7.256 -7.044 -25.831 1008 H GLU 19 H GLU 19 4.718 -8.744 -21.404 1009 HA GLU 19 HA GLU 19 3.966 -6.428 -19.970 1010 1HB GLU 19 1HB GLU 19 1.626 -7.108 -19.430 1011 2HB GLU 19 2HB GLU 19 1.852 -6.601 -21.096 1012 1HG GLU 19 1HG GLU 19 0.845 -8.476 -21.700 1013 2HG GLU 19 2HG GLU 19 2.284 -9.337 -21.154 1014 H ALA 20 H ALA 20 4.205 -6.757 -17.807 1015 HA ALA 20 HA ALA 20 4.140 -9.479 -16.761 1016 1HB ALA 20 1HB ALA 20 6.531 -8.499 -17.541 1017 2HB ALA 20 2HB ALA 20 6.320 -9.670 -16.243 1018 3HB ALA 20 3HB ALA 20 6.488 -7.957 -15.865 1019 H VAL 21 H VAL 21 4.841 -6.101 -15.939 1020 HA VAL 21 HA VAL 21 3.843 -6.485 -13.249 1021 HB VAL 21 HB VAL 21 4.287 -3.996 -13.026 1022 1HG1 VAL 21 1HG1 VAL 21 5.874 -6.079 -12.609 1023 2HG1 VAL 21 2HG1 VAL 21 6.423 -4.419 -12.379 1024 3HG1 VAL 21 3HG1 VAL 21 6.822 -5.282 -13.863 1025 1HG2 VAL 21 1HG2 VAL 21 5.640 -2.899 -14.676 1026 2HG2 VAL 21 2HG2 VAL 21 4.185 -3.508 -15.468 1027 3HG2 VAL 21 3HG2 VAL 21 5.717 -4.364 -15.656 1028 H ASP 22 H ASP 22 1.699 -7.071 -13.826 1029 HA ASP 22 HA ASP 22 -0.004 -4.909 -14.852 1030 1HB ASP 22 1HB ASP 22 -0.151 -7.133 -15.945 1031 2HB ASP 22 2HB ASP 22 -0.648 -7.833 -14.405 1032 H ALA 23 H ALA 23 -1.737 -4.153 -13.756 1033 HA ALA 23 HA ALA 23 -1.600 -3.795 -11.038 1034 1HB ALA 23 1HB ALA 23 -3.251 -2.995 -13.114 1035 2HB ALA 23 2HB ALA 23 -3.310 -2.431 -11.443 1036 3HB ALA 23 3HB ALA 23 -4.341 -3.767 -11.961 1037 H ALA 24 H ALA 24 -3.423 -6.259 -12.820 1038 HA ALA 24 HA ALA 24 -4.683 -7.411 -10.556 1039 1HB ALA 24 1HB ALA 24 -5.539 -8.995 -12.002 1040 2HB ALA 24 2HB ALA 24 -4.105 -8.982 -13.030 1041 3HB ALA 24 3HB ALA 24 -5.241 -7.633 -13.084 1042 H THR 25 H THR 25 -1.563 -7.841 -12.043 1043 HA THR 25 HA THR 25 -0.884 -10.358 -10.993 1044 HB THR 25 HB THR 25 0.867 -8.002 -11.722 1045 HG1 THR 25 HG1 THR 25 1.081 -9.066 -13.666 1046 1HG2 THR 25 1HG2 THR 25 1.587 -10.662 -10.725 1047 2HG2 THR 25 2HG2 THR 25 2.510 -9.156 -10.740 1048 3HG2 THR 25 3HG2 THR 25 2.414 -10.150 -12.197 1049 H PHE 26 H PHE 26 -0.618 -7.113 -9.684 1050 HA PHE 26 HA PHE 26 0.874 -7.834 -7.367 1051 1HB PHE 26 1HB PHE 26 0.544 -5.487 -8.403 1052 2HB PHE 26 2HB PHE 26 -0.965 -5.457 -7.497 1053 HD1 PHE 26 HD1 PHE 26 2.678 -6.045 -7.050 1054 HD2 PHE 26 HD2 PHE 26 -0.964 -4.701 -5.307 1055 HE1 PHE 26 HE1 PHE 26 3.910 -5.315 -5.051 1056 HE2 PHE 26 HE2 PHE 26 0.263 -3.967 -3.304 1057 HZ PHE 26 HZ PHE 26 2.704 -4.274 -3.175 1058 H GLU 27 H GLU 27 -2.565 -7.319 -8.000 1059 HA GLU 27 HA GLU 27 -3.564 -7.620 -5.431 1060 1HB GLU 27 1HB GLU 27 -4.903 -6.839 -7.319 1061 2HB GLU 27 2HB GLU 27 -4.835 -8.438 -8.047 1062 1HG GLU 27 1HG GLU 27 -5.833 -8.818 -5.458 1063 2HG GLU 27 2HG GLU 27 -6.658 -7.398 -6.097 1064 H LYS 28 H LYS 28 -3.328 -10.167 -7.926 1065 HA LYS 28 HA LYS 28 -4.197 -12.232 -6.219 1066 1HB LYS 28 1HB LYS 28 -4.258 -12.272 -8.715 1067 2HB LYS 28 2HB LYS 28 -2.519 -12.522 -8.709 1068 1HG LYS 28 1HG LYS 28 -2.874 -14.601 -7.403 1069 2HG LYS 28 2HG LYS 28 -4.615 -14.364 -7.581 1070 1HD LYS 28 1HD LYS 28 -2.659 -14.648 -9.862 1071 2HD LYS 28 2HD LYS 28 -3.689 -15.940 -9.243 1072 1HE LYS 28 1HE LYS 28 -5.597 -14.186 -9.680 1073 2HE LYS 28 2HE LYS 28 -4.417 -13.501 -10.798 1074 1HZ LYS 28 1HZ LYS 28 -4.367 -15.477 -12.042 1075 2HZ LYS 28 2HZ LYS 28 -6.005 -15.185 -11.748 1076 3HZ LYS 28 3HZ LYS 28 -5.184 -16.361 -10.853 1077 H VAL 29 H VAL 29 -0.879 -11.359 -7.263 1078 HA VAL 29 HA VAL 29 0.398 -13.457 -5.901 1079 HB VAL 29 HB VAL 29 1.529 -10.748 -6.607 1080 1HG1 VAL 29 1HG1 VAL 29 2.870 -12.012 -4.959 1081 2HG1 VAL 29 2HG1 VAL 29 3.698 -11.814 -6.506 1082 3HG1 VAL 29 3HG1 VAL 29 2.953 -13.359 -6.098 1083 1HG2 VAL 29 1HG2 VAL 29 2.097 -13.140 -8.249 1084 2HG2 VAL 29 2HG2 VAL 29 1.880 -11.456 -8.730 1085 3HG2 VAL 29 3HG2 VAL 29 0.474 -12.459 -8.378 1086 H VAL 30 H VAL 30 -0.324 -10.137 -4.883 1087 HA VAL 30 HA VAL 30 1.085 -10.355 -2.422 1088 HB VAL 30 HB VAL 30 -1.072 -8.383 -3.197 1089 1HG1 VAL 30 1HG1 VAL 30 -0.925 -8.284 -0.852 1090 2HG1 VAL 30 2HG1 VAL 30 0.114 -6.979 -1.425 1091 3HG1 VAL 30 3HG1 VAL 30 0.827 -8.494 -0.869 1092 1HG2 VAL 30 1HG2 VAL 30 1.132 -8.573 -4.550 1093 2HG2 VAL 30 2HG2 VAL 30 1.864 -7.817 -3.134 1094 3HG2 VAL 30 3HG2 VAL 30 0.585 -6.985 -4.015 1095 H LYS 31 H LYS 31 -2.402 -10.649 -3.220 1096 HA LYS 31 HA LYS 31 -3.239 -11.010 -0.560 1097 1HB LYS 31 1HB LYS 31 -4.763 -10.463 -2.427 1098 2HB LYS 31 2HB LYS 31 -4.490 -12.060 -3.107 1099 1HG LYS 31 1HG LYS 31 -5.317 -12.842 -0.730 1100 2HG LYS 31 2HG LYS 31 -6.083 -11.249 -0.734 1101 1HD LYS 31 1HD LYS 31 -6.958 -11.911 -3.062 1102 2HD LYS 31 2HD LYS 31 -6.521 -13.557 -2.603 1103 1HE LYS 31 1HE LYS 31 -7.898 -13.135 -0.488 1104 2HE LYS 31 2HE LYS 31 -8.540 -11.730 -1.337 1105 1HZ LYS 31 1HZ LYS 31 -9.665 -13.020 -2.820 1106 2HZ LYS 31 2HZ LYS 31 -9.721 -14.044 -1.474 1107 3HZ LYS 31 3HZ LYS 31 -8.591 -14.323 -2.701 1108 H GLN 32 H GLN 32 -2.340 -13.317 -3.096 1109 HA GLN 32 HA GLN 32 -2.872 -15.652 -1.614 1110 1HB GLN 32 1HB GLN 32 -2.509 -15.499 -4.108 1111 2HB GLN 32 2HB GLN 32 -0.787 -15.360 -3.778 1112 1HG GLN 32 1HG GLN 32 -1.040 -17.605 -4.231 1113 2HG GLN 32 2HG GLN 32 -1.092 -17.559 -2.467 1114 1HE2 GLN 32 1HE2 GLN 32 -2.616 -18.752 -1.604 1115 2HE2 GLN 32 2HE2 GLN 32 -4.136 -19.152 -2.321 1116 H PHE 33 H PHE 33 0.137 -13.764 -2.039 1117 HA PHE 33 HA PHE 33 1.725 -15.501 -0.479 1118 1HB PHE 33 1HB PHE 33 2.953 -14.233 -1.952 1119 2HB PHE 33 2HB PHE 33 2.011 -12.780 -1.663 1120 HD1 PHE 33 HD1 PHE 33 4.173 -15.027 0.431 1121 HD2 PHE 33 HD2 PHE 33 3.214 -11.079 -0.834 1122 HE1 PHE 33 HE1 PHE 33 5.978 -14.134 1.853 1123 HE2 PHE 33 HE2 PHE 33 5.004 -10.179 0.591 1124 HZ PHE 33 HZ PHE 33 6.387 -11.701 1.938 1125 H PHE 34 H PHE 34 0.059 -12.453 0.313 1126 HA PHE 34 HA PHE 34 0.988 -12.521 3.018 1127 1HB PHE 34 1HB PHE 34 -0.850 -10.738 1.485 1128 2HB PHE 34 2HB PHE 34 -0.830 -10.658 3.250 1129 HD1 PHE 34 HD1 PHE 34 1.265 -10.324 0.221 1130 HD2 PHE 34 HD2 PHE 34 0.949 -9.643 4.410 1131 HE1 PHE 34 HE1 PHE 34 3.323 -8.975 0.155 1132 HE2 PHE 34 HE2 PHE 34 3.000 -8.288 4.350 1133 HZ PHE 34 HZ PHE 34 4.197 -7.962 2.223 1134 H ASN 35 H ASN 35 -1.984 -13.586 1.433 1135 HA ASN 35 HA ASN 35 -3.606 -13.885 3.677 1136 1HB ASN 35 1HB ASN 35 -3.460 -15.342 1.061 1137 2HB ASN 35 2HB ASN 35 -4.531 -15.939 2.324 1138 1HD2 ASN 35 1HD2 ASN 35 -3.868 -12.523 1.920 1139 2HD2 ASN 35 2HD2 ASN 35 -5.434 -12.101 1.331 1140 H ASP 36 H ASP 36 -0.945 -15.835 2.570 1141 HA ASP 36 HA ASP 36 -1.376 -18.148 4.095 1142 1HB ASP 36 1HB ASP 36 1.257 -16.961 3.200 1143 2HB ASP 36 2HB ASP 36 0.996 -18.623 3.722 1144 H ASN 37 H ASN 37 -0.462 -15.019 5.091 1145 HA ASN 37 HA ASN 37 0.618 -16.067 7.621 1146 1HB ASN 37 1HB ASN 37 1.658 -13.933 8.000 1147 2HB ASN 37 2HB ASN 37 2.062 -14.475 6.376 1148 1HD2 ASN 37 1HD2 ASN 37 2.065 -12.895 4.979 1149 2HD2 ASN 37 2HD2 ASN 37 1.007 -11.532 4.969 1150 H GLY 38 H GLY 38 -2.106 -14.392 6.293 1151 1HA GLY 38 1HA GLY 38 -4.025 -14.645 7.940 1152 2HA GLY 38 2HA GLY 38 -2.996 -13.744 9.035 1153 H VAL 39 H VAL 39 -2.769 -12.673 5.791 1154 HA VAL 39 HA VAL 39 -4.222 -10.254 6.512 1155 HB VAL 39 HB VAL 39 -2.727 -10.803 3.946 1156 1HG1 VAL 39 1HG1 VAL 39 -4.092 -8.453 5.124 1157 2HG1 VAL 39 2HG1 VAL 39 -3.905 -8.929 3.437 1158 3HG1 VAL 39 3HG1 VAL 39 -2.567 -8.160 4.289 1159 1HG2 VAL 39 1HG2 VAL 39 -0.956 -10.925 5.357 1160 2HG2 VAL 39 2HG2 VAL 39 -1.776 -10.039 6.642 1161 3HG2 VAL 39 3HG2 VAL 39 -1.081 -9.169 5.276 1162 H ASP 40 H ASP 40 -6.027 -9.471 5.450 1163 HA ASP 40 HA ASP 40 -7.130 -10.854 3.176 1164 1HB ASP 40 1HB ASP 40 -8.303 -11.168 5.922 1165 2HB ASP 40 2HB ASP 40 -9.341 -11.222 4.501 1166 H GLY 41 H GLY 41 -9.590 -9.987 2.977 1167 1HA GLY 41 1HA GLY 41 -10.950 -7.974 3.447 1168 2HA GLY 41 2HA GLY 41 -9.446 -7.066 3.417 1169 H GLU 42 H GLU 42 -10.006 -5.682 1.758 1170 HA GLU 42 HA GLU 42 -9.919 -6.866 -0.902 1171 1HB GLU 42 1HB GLU 42 -12.215 -5.241 0.158 1172 2HB GLU 42 2HB GLU 42 -11.840 -5.265 -1.560 1173 1HG GLU 42 1HG GLU 42 -12.528 -7.647 0.146 1174 2HG GLU 42 2HG GLU 42 -13.578 -6.865 -1.032 1175 H TRP 43 H TRP 43 -9.383 -5.356 -2.570 1176 HA TRP 43 HA TRP 43 -7.555 -3.348 -1.689 1177 1HB TRP 43 1HB TRP 43 -8.512 -4.190 -4.421 1178 2HB TRP 43 2HB TRP 43 -7.345 -2.893 -4.178 1179 HD1 TRP 43 HD1 TRP 43 -7.663 -6.669 -4.158 1180 HE1 TRP 43 HE1 TRP 43 -5.327 -7.714 -3.882 1181 HE3 TRP 43 HE3 TRP 43 -5.001 -2.438 -3.082 1182 HZ2 TRP 43 HZ2 TRP 43 -2.704 -6.858 -3.288 1183 HZ3 TRP 43 HZ3 TRP 43 -2.583 -2.638 -2.672 1184 HH2 TRP 43 HH2 TRP 43 -1.461 -4.804 -2.774 1185 H THR 44 H THR 44 -8.029 -1.393 -1.094 1186 HA THR 44 HA THR 44 -10.439 -0.115 -2.190 1187 HB THR 44 HB THR 44 -10.444 1.280 -0.169 1188 HG1 THR 44 HG1 THR 44 -8.256 1.298 0.319 1189 1HG2 THR 44 1HG2 THR 44 -10.219 -1.632 0.549 1190 2HG2 THR 44 2HG2 THR 44 -11.668 -0.833 -0.065 1191 3HG2 THR 44 3HG2 THR 44 -11.003 -0.372 1.502 1192 H TYR 45 H TYR 45 -10.313 1.893 -3.044 1193 HA TYR 45 HA TYR 45 -7.806 2.706 -4.121 1194 1HB TYR 45 1HB TYR 45 -10.586 3.840 -4.184 1195 2HB TYR 45 2HB TYR 45 -9.229 4.779 -4.802 1196 HD1 TYR 45 HD1 TYR 45 -11.558 2.125 -5.475 1197 HD2 TYR 45 HD2 TYR 45 -7.831 3.795 -6.666 1198 HE1 TYR 45 HE1 TYR 45 -11.708 0.921 -7.614 1199 HE2 TYR 45 HE2 TYR 45 -7.970 2.597 -8.807 1200 HH TYR 45 HH TYR 45 -10.227 1.614 -10.224 1201 H ASP 46 H ASP 46 -6.524 4.459 -3.628 1202 HA ASP 46 HA ASP 46 -6.482 5.268 -0.897 1203 1HB ASP 46 1HB ASP 46 -4.867 5.970 -3.330 1204 2HB ASP 46 2HB ASP 46 -4.662 6.881 -1.838 1205 H ASP 47 H ASP 47 -6.466 7.516 -0.161 1206 HA ASP 47 HA ASP 47 -8.784 8.911 -0.984 1207 1HB ASP 47 1HB ASP 47 -7.974 10.692 0.576 1208 2HB ASP 47 2HB ASP 47 -8.041 9.089 1.302 1209 H ALA 48 H ALA 48 -9.076 10.345 -2.554 1210 HA ALA 48 HA ALA 48 -7.169 10.949 -4.474 1211 1HB ALA 48 1HB ALA 48 -8.754 12.619 -5.299 1212 2HB ALA 48 2HB ALA 48 -9.668 12.492 -3.795 1213 3HB ALA 48 3HB ALA 48 -9.560 11.107 -4.881 1214 H THR 49 H THR 49 -5.915 12.714 -4.945 1215 HA THR 49 HA THR 49 -5.716 14.866 -2.971 1216 HB THR 49 HB THR 49 -3.291 13.383 -4.001 1217 HG1 THR 49 HG1 THR 49 -3.181 12.477 -1.946 1218 1HG2 THR 49 1HG2 THR 49 -3.510 15.335 -1.726 1219 2HG2 THR 49 2HG2 THR 49 -2.920 15.738 -3.338 1220 3HG2 THR 49 3HG2 THR 49 -2.046 14.568 -2.344 1221 H LYS 50 H LYS 50 -4.612 16.773 -3.794 1222 HA LYS 50 HA LYS 50 -4.520 16.850 -6.740 1223 1HB LYS 50 1HB LYS 50 -5.795 18.751 -4.803 1224 2HB LYS 50 2HB LYS 50 -5.232 19.327 -6.366 1225 1HG LYS 50 1HG LYS 50 -6.646 17.513 -7.406 1226 2HG LYS 50 2HG LYS 50 -7.352 17.275 -5.806 1227 1HD LYS 50 1HD LYS 50 -7.256 20.035 -6.915 1228 2HD LYS 50 2HD LYS 50 -8.446 18.909 -7.570 1229 1HE LYS 50 1HE LYS 50 -9.060 18.446 -5.123 1230 2HE LYS 50 2HE LYS 50 -8.158 19.916 -4.757 1231 1HZ LYS 50 1HZ LYS 50 -10.399 19.803 -6.698 1232 2HZ LYS 50 2HZ LYS 50 -9.630 21.185 -6.100 1233 3HZ LYS 50 3HZ LYS 50 -10.586 20.243 -5.075 1234 H THR 51 H THR 51 -2.584 17.311 -7.475 1235 HA THR 51 HA THR 51 -0.713 18.816 -5.781 1236 HB THR 51 HB THR 51 -0.273 16.902 -8.081 1237 HG1 THR 51 HG1 THR 51 0.753 15.696 -6.483 1238 1HG2 THR 51 1HG2 THR 51 1.414 18.623 -8.296 1239 2HG2 THR 51 2HG2 THR 51 2.131 17.136 -7.681 1240 3HG2 THR 51 3HG2 THR 51 1.811 18.479 -6.585 1241 H PHE 52 H PHE 52 0.030 20.776 -6.402 1242 HA PHE 52 HA PHE 52 -1.187 22.025 -8.703 1243 1HB PHE 52 1HB PHE 52 -0.923 23.218 -6.535 1244 2HB PHE 52 2HB PHE 52 0.823 23.172 -6.755 1245 HD1 PHE 52 HD1 PHE 52 -2.326 24.513 -8.143 1246 HD2 PHE 52 HD2 PHE 52 1.923 24.744 -8.120 1247 HE1 PHE 52 HE1 PHE 52 -2.437 26.613 -9.423 1248 HE2 PHE 52 HE2 PHE 52 1.820 26.844 -9.398 1249 HZ PHE 52 HZ PHE 52 -0.363 27.780 -10.051 1250 H THR 53 H THR 53 -0.348 21.837 -10.674 1251 HA THR 53 HA THR 53 2.464 21.191 -11.013 1252 HB THR 53 HB THR 53 0.267 21.548 -13.065 1253 HG1 THR 53 HG1 THR 53 1.373 19.239 -11.852 1254 1HG2 THR 53 1HG2 THR 53 3.050 20.446 -13.347 1255 2HG2 THR 53 2HG2 THR 53 2.353 21.839 -14.178 1256 3HG2 THR 53 3HG2 THR 53 1.762 20.214 -14.532 1257 H VAL 54 H VAL 54 3.991 22.672 -11.339 1258 HA VAL 54 HA VAL 54 3.358 25.442 -11.530 1259 HB VAL 54 HB VAL 54 6.076 24.300 -12.127 1260 1HG1 VAL 54 1HG1 VAL 54 6.762 26.406 -10.930 1261 2HG1 VAL 54 2HG1 VAL 54 5.066 26.887 -10.970 1262 3HG1 VAL 54 3HG1 VAL 54 5.948 26.642 -12.478 1263 1HG2 VAL 54 1HG2 VAL 54 6.445 24.602 -9.606 1264 2HG2 VAL 54 2HG2 VAL 54 5.584 23.160 -10.143 1265 3HG2 VAL 54 3HG2 VAL 54 4.688 24.524 -9.475 1266 H THR 55 H THR 55 3.989 26.898 -13.224 1267 HA THR 55 HA THR 55 4.510 25.772 -15.849 1268 HB THR 55 HB THR 55 2.046 27.434 -15.303 1269 HG1 THR 55 HG1 THR 55 0.955 25.529 -15.925 1270 1HG2 THR 55 1HG2 THR 55 2.702 26.077 -17.887 1271 2HG2 THR 55 2HG2 THR 55 3.204 27.735 -17.556 1272 3HG2 THR 55 3HG2 THR 55 1.492 27.316 -17.558 1273 H GLU 56 H GLU 56 3.258 28.855 -14.617 1274 HA GLU 56 HA GLU 56 4.030 30.990 -14.766 1275 1HB GLU 56 1HB GLU 56 6.776 29.763 -15.030 1276 2HB GLU 56 2HB GLU 56 6.379 31.377 -14.456 1277 1HG GLU 56 1HG GLU 56 5.492 30.556 -12.440 1278 2HG GLU 56 2HG GLU 56 5.443 28.902 -13.045 1279 1H MET 1 1H MET 1 -0.124 1.593 -12.921 1280 2H MET 1 2H MET 1 0.956 0.722 -11.910 1281 3H MET 1 3H MET 1 1.249 2.377 -12.259 1282 HA MET 1 HA MET 1 -0.612 3.055 -11.052 1283 1HB MET 1 1HB MET 1 -1.254 0.178 -11.309 1284 2HB MET 1 2HB MET 1 -1.698 0.919 -9.777 1285 1HG MET 1 1HG MET 1 -2.467 2.530 -12.069 1286 2HG MET 1 2HG MET 1 -3.186 0.924 -12.091 1287 1HE MET 1 1HE MET 1 -2.305 2.443 -8.563 1288 2HE MET 1 2HE MET 1 -3.566 3.664 -8.406 1289 3HE MET 1 3HE MET 1 -2.327 3.831 -9.650 1290 H GLN 2 H GLN 2 -0.392 3.541 -8.888 1291 HA GLN 2 HA GLN 2 2.021 2.516 -7.626 1292 1HB GLN 2 1HB GLN 2 1.538 4.961 -7.705 1293 2HB GLN 2 2HB GLN 2 0.137 4.685 -6.678 1294 1HG GLN 2 1HG GLN 2 1.658 3.780 -4.941 1295 2HG GLN 2 2HG GLN 2 3.023 4.228 -5.963 1296 1HE2 GLN 2 1HE2 GLN 2 3.409 6.447 -6.370 1297 2HE2 GLN 2 2HE2 GLN 2 2.827 7.662 -5.287 1298 H TYR 3 H TYR 3 1.998 0.945 -6.157 1299 HA TYR 3 HA TYR 3 -0.568 0.285 -4.887 1300 1HB TYR 3 1HB TYR 3 1.769 -1.390 -5.728 1301 2HB TYR 3 2HB TYR 3 0.687 -1.959 -4.459 1302 HD1 TYR 3 HD1 TYR 3 1.204 -1.685 -7.982 1303 HD2 TYR 3 HD2 TYR 3 -1.812 -2.084 -5.009 1304 HE1 TYR 3 HE1 TYR 3 -0.364 -2.505 -9.690 1305 HE2 TYR 3 HE2 TYR 3 -3.387 -2.906 -6.707 1306 HH TYR 3 HH TYR 3 -3.660 -2.699 -9.219 1307 H LYS 4 H LYS 4 -0.814 0.401 -2.811 1308 HA LYS 4 HA LYS 4 1.525 1.001 -1.122 1309 1HB LYS 4 1HB LYS 4 -1.326 1.854 -1.056 1310 2HB LYS 4 2HB LYS 4 -0.490 1.691 0.482 1311 1HG LYS 4 1HG LYS 4 1.335 3.148 -0.689 1312 2HG LYS 4 2HG LYS 4 0.000 3.600 -1.750 1313 1HD LYS 4 1HD LYS 4 -1.311 4.182 0.312 1314 2HD LYS 4 2HD LYS 4 0.168 3.937 1.241 1315 1HE LYS 4 1HE LYS 4 1.161 5.821 0.418 1316 2HE LYS 4 2HE LYS 4 0.294 5.738 -1.116 1317 1HZ LYS 4 1HZ LYS 4 -1.563 6.742 -0.216 1318 2HZ LYS 4 2HZ LYS 4 -0.312 7.571 0.562 1319 3HZ LYS 4 3HZ LYS 4 -1.152 6.351 1.378 1320 H VAL 5 H VAL 5 2.137 -0.371 0.422 1321 HA VAL 5 HA VAL 5 0.224 -2.320 1.478 1322 HB VAL 5 HB VAL 5 2.958 -3.196 0.551 1323 1HG1 VAL 5 1HG1 VAL 5 0.529 -4.833 1.252 1324 2HG1 VAL 5 2HG1 VAL 5 1.818 -4.452 2.390 1325 3HG1 VAL 5 3HG1 VAL 5 2.167 -5.411 0.953 1326 1HG2 VAL 5 1HG2 VAL 5 1.746 -4.352 -1.297 1327 2HG2 VAL 5 2HG2 VAL 5 1.754 -2.594 -1.432 1328 3HG2 VAL 5 3HG2 VAL 5 0.306 -3.430 -0.866 1329 H ILE 6 H ILE 6 0.373 -2.480 3.625 1330 HA ILE 6 HA ILE 6 2.652 -1.237 4.969 1331 HB ILE 6 HB ILE 6 0.113 -2.270 6.230 1332 1HG1 ILE 6 1HG1 ILE 6 0.726 0.545 5.304 1333 2HG1 ILE 6 2HG1 ILE 6 -0.380 -0.562 4.498 1334 1HG2 ILE 6 1HG2 ILE 6 0.801 -0.441 7.912 1335 2HG2 ILE 6 2HG2 ILE 6 2.389 -0.563 7.157 1336 3HG2 ILE 6 3HG2 ILE 6 1.668 -1.975 7.926 1337 1HD1 ILE 6 1HD1 ILE 6 -1.617 1.006 5.834 1338 2HD1 ILE 6 2HD1 ILE 6 -0.681 0.578 7.266 1339 3HD1 ILE 6 3HD1 ILE 6 -1.764 -0.606 6.533 1340 H LEU 7 H LEU 7 4.244 -2.433 5.832 1341 HA LEU 7 HA LEU 7 3.641 -5.154 6.748 1342 1HB LEU 7 1HB LEU 7 5.613 -4.315 4.697 1343 2HB LEU 7 2HB LEU 7 6.167 -5.497 5.867 1344 HG LEU 7 HG LEU 7 3.841 -6.649 5.155 1345 1HD1 LEU 7 1HD1 LEU 7 3.793 -4.597 3.435 1346 2HD1 LEU 7 2HD1 LEU 7 3.099 -6.178 3.074 1347 3HD1 LEU 7 3HD1 LEU 7 4.707 -5.761 2.476 1348 1HD2 LEU 7 1HD2 LEU 7 6.421 -7.311 4.977 1349 2HD2 LEU 7 2HD2 LEU 7 6.073 -7.105 3.261 1350 3HD2 LEU 7 3HD2 LEU 7 5.142 -8.259 4.217 1351 H ASN 8 H ASN 8 4.034 -5.122 8.891 1352 HA ASN 8 HA ASN 8 6.601 -4.236 9.863 1353 1HB ASN 8 1HB ASN 8 5.305 -2.127 9.813 1354 2HB ASN 8 2HB ASN 8 4.097 -2.863 10.862 1355 1HD2 ASN 8 1HD2 ASN 8 6.259 -0.637 11.018 1356 2HD2 ASN 8 2HD2 ASN 8 6.960 -0.902 12.573 1357 H GLY 9 H GLY 9 7.224 -5.698 11.312 1358 1HA GLY 9 1HA GLY 9 5.505 -7.681 12.354 1359 2HA GLY 9 2HA GLY 9 7.146 -7.358 12.900 1360 H LYS 10 H LYS 10 4.107 -7.608 13.973 1361 HA LYS 10 HA LYS 10 4.033 -5.318 15.735 1362 1HB LYS 10 1HB LYS 10 2.058 -6.717 14.644 1363 2HB LYS 10 2HB LYS 10 2.233 -7.664 16.116 1364 1HG LYS 10 1HG LYS 10 0.579 -6.101 16.614 1365 2HG LYS 10 2HG LYS 10 2.038 -5.450 17.364 1366 1HD LYS 10 1HD LYS 10 2.148 -3.691 15.933 1367 2HD LYS 10 2HD LYS 10 1.494 -4.613 14.580 1368 1HE LYS 10 1HE LYS 10 -0.224 -3.137 15.025 1369 2HE LYS 10 2HE LYS 10 -0.713 -4.555 15.949 1370 1HZ LYS 10 1HZ LYS 10 0.826 -2.327 17.147 1371 2HZ LYS 10 2HZ LYS 10 -0.007 -3.562 17.945 1372 3HZ LYS 10 3HZ LYS 10 -0.865 -2.356 17.128 1373 H THR 11 H THR 11 3.895 -5.511 18.063 1374 HA THR 11 HA THR 11 5.908 -7.305 19.093 1375 HB THR 11 HB THR 11 4.216 -5.348 20.650 1376 HG1 THR 11 HG1 THR 11 5.155 -4.049 19.214 1377 1HG2 THR 11 1HG2 THR 11 6.668 -5.240 21.745 1378 2HG2 THR 11 2HG2 THR 11 6.609 -6.935 21.256 1379 3HG2 THR 11 3HG2 THR 11 5.371 -6.283 22.326 1380 H LEU 12 H LEU 12 5.420 -9.312 19.672 1381 HA LEU 12 HA LEU 12 2.724 -9.890 20.680 1382 1HB LEU 12 1HB LEU 12 4.843 -11.617 19.430 1383 2HB LEU 12 2HB LEU 12 3.473 -12.304 20.280 1384 HG LEU 12 HG LEU 12 2.897 -10.337 18.128 1385 1HD1 LEU 12 1HD1 LEU 12 4.182 -12.983 17.712 1386 2HD1 LEU 12 2HD1 LEU 12 4.329 -11.493 16.779 1387 3HD1 LEU 12 3HD1 LEU 12 2.888 -12.499 16.616 1388 1HD2 LEU 12 1HD2 LEU 12 1.617 -12.746 19.347 1389 2HD2 LEU 12 2HD2 LEU 12 1.125 -12.196 17.744 1390 3HD2 LEU 12 3HD2 LEU 12 0.970 -11.120 19.131 1391 H LYS 13 H LYS 13 5.975 -11.201 21.231 1392 HA LYS 13 HA LYS 13 5.937 -10.616 24.019 1393 1HB LYS 13 1HB LYS 13 6.010 -13.018 24.762 1394 2HB LYS 13 2HB LYS 13 4.439 -12.457 24.215 1395 1HG LYS 13 1HG LYS 13 4.548 -13.690 22.243 1396 2HG LYS 13 2HG LYS 13 6.299 -13.892 22.357 1397 1HD LYS 13 1HD LYS 13 5.958 -15.303 24.367 1398 2HD LYS 13 2HD LYS 13 4.217 -15.164 24.133 1399 1HE LYS 13 1HE LYS 13 4.421 -17.039 22.925 1400 2HE LYS 13 2HE LYS 13 5.056 -15.981 21.666 1401 1HZ LYS 13 1HZ LYS 13 6.366 -18.090 22.567 1402 2HZ LYS 13 2HZ LYS 13 6.963 -16.934 23.649 1403 3HZ LYS 13 3HZ LYS 13 7.155 -16.709 21.983 1404 H GLY 14 H GLY 14 7.982 -10.240 24.530 1405 1HA GLY 14 1HA GLY 14 10.264 -10.624 24.735 1406 2HA GLY 14 2HA GLY 14 10.087 -12.046 23.717 1407 H GLU 15 H GLU 15 9.134 -8.722 22.990 1408 HA GLU 15 HA GLU 15 9.728 -7.291 21.327 1409 1HB GLU 15 1HB GLU 15 12.339 -8.731 21.746 1410 2HB GLU 15 2HB GLU 15 12.168 -7.445 20.560 1411 1HG GLU 15 1HG GLU 15 11.702 -7.206 23.524 1412 2HG GLU 15 2HG GLU 15 13.094 -6.597 22.629 1413 H THR 16 H THR 16 10.067 -7.116 19.044 1414 HA THR 16 HA THR 16 9.522 -9.642 17.649 1415 HB THR 16 HB THR 16 7.808 -7.914 17.400 1416 HG1 THR 16 HG1 THR 16 7.573 -8.501 15.412 1417 1HG2 THR 16 1HG2 THR 16 10.075 -6.176 16.961 1418 2HG2 THR 16 2HG2 THR 16 8.402 -5.781 17.356 1419 3HG2 THR 16 3HG2 THR 16 8.874 -6.044 15.676 1420 H THR 17 H THR 17 10.383 -9.731 15.357 1421 HA THR 17 HA THR 17 12.762 -8.226 14.782 1422 HB THR 17 HB THR 17 13.150 -11.189 15.146 1423 HG1 THR 17 HG1 THR 17 13.128 -10.857 17.203 1424 1HG2 THR 17 1HG2 THR 17 14.842 -8.951 14.381 1425 2HG2 THR 17 2HG2 THR 17 15.072 -10.683 14.153 1426 3HG2 THR 17 3HG2 THR 17 15.513 -9.930 15.684 1427 H THR 18 H THR 18 11.113 -11.298 14.049 1428 HA THR 18 HA THR 18 11.062 -10.504 11.224 1429 HB THR 18 HB THR 18 11.598 -12.834 10.569 1430 HG1 THR 18 HG1 THR 18 11.490 -14.272 12.073 1431 1HG2 THR 18 1HG2 THR 18 13.416 -10.924 11.453 1432 2HG2 THR 18 2HG2 THR 18 13.741 -12.316 10.421 1433 3HG2 THR 18 3HG2 THR 18 13.952 -12.444 12.167 1434 H GLU 19 H GLU 19 9.703 -12.423 10.052 1435 HA GLU 19 HA GLU 19 7.617 -13.257 9.695 1436 1HB GLU 19 1HB GLU 19 8.045 -13.797 12.606 1437 2HB GLU 19 2HB GLU 19 6.462 -14.098 11.905 1438 1HG GLU 19 1HG GLU 19 7.584 -15.539 10.199 1439 2HG GLU 19 2HG GLU 19 9.078 -15.354 11.122 1440 H ALA 20 H ALA 20 5.230 -12.984 10.352 1441 HA ALA 20 HA ALA 20 3.445 -11.585 10.542 1442 1HB ALA 20 1HB ALA 20 3.319 -10.198 12.484 1443 2HB ALA 20 2HB ALA 20 5.074 -10.164 12.639 1444 3HB ALA 20 3HB ALA 20 4.194 -11.664 12.921 1445 H VAL 21 H VAL 21 4.296 -10.916 8.356 1446 HA VAL 21 HA VAL 21 4.891 -9.372 6.777 1447 HB VAL 21 HB VAL 21 3.745 -7.121 7.112 1448 1HG1 VAL 21 1HG1 VAL 21 2.852 -9.369 6.071 1449 2HG1 VAL 21 2HG1 VAL 21 1.793 -7.975 6.282 1450 3HG1 VAL 21 3HG1 VAL 21 1.748 -9.301 7.446 1451 1HG2 VAL 21 1HG2 VAL 21 2.100 -6.958 8.881 1452 2HG2 VAL 21 2HG2 VAL 21 3.701 -7.190 9.576 1453 3HG2 VAL 21 3HG2 VAL 21 2.570 -8.539 9.501 1454 H ASP 22 H ASP 22 7.128 -9.365 7.193 1455 HA ASP 22 HA ASP 22 8.167 -7.159 8.830 1456 1HB ASP 22 1HB ASP 22 9.036 -9.455 9.230 1457 2HB ASP 22 2HB ASP 22 9.651 -9.479 7.579 1458 H ALA 23 H ALA 23 9.514 -5.629 8.070 1459 HA ALA 23 HA ALA 23 9.147 -4.568 5.563 1460 1HB ALA 23 1HB ALA 23 10.557 -3.919 7.858 1461 2HB ALA 23 2HB ALA 23 10.363 -2.913 6.421 1462 3HB ALA 23 3HB ALA 23 11.781 -3.949 6.587 1463 H ALA 24 H ALA 24 11.731 -6.736 6.655 1464 HA ALA 24 HA ALA 24 13.185 -6.737 4.221 1465 1HB ALA 24 1HB ALA 24 14.550 -8.333 5.189 1466 2HB ALA 24 2HB ALA 24 13.231 -9.046 6.120 1467 3HB ALA 24 3HB ALA 24 13.905 -7.488 6.598 1468 H THR 25 H THR 25 10.423 -8.525 5.364 1469 HA THR 25 HA THR 25 10.518 -10.714 3.602 1470 HB THR 25 HB THR 25 8.155 -9.334 4.892 1471 HG1 THR 25 HG1 THR 25 8.377 -10.903 6.444 1472 1HG2 THR 25 1HG2 THR 25 8.253 -11.676 3.136 1473 2HG2 THR 25 2HG2 THR 25 6.909 -10.605 3.542 1474 3HG2 THR 25 3HG2 THR 25 7.378 -11.898 4.653 1475 H PHE 26 H PHE 26 9.200 -7.478 3.272 1476 HA PHE 26 HA PHE 26 7.900 -7.923 0.776 1477 1HB PHE 26 1HB PHE 26 7.529 -5.995 2.460 1478 2HB PHE 26 2HB PHE 26 8.914 -5.237 1.675 1479 HD1 PHE 26 HD1 PHE 26 5.615 -6.767 0.900 1480 HD2 PHE 26 HD2 PHE 26 8.582 -3.923 -0.203 1481 HE1 PHE 26 HE1 PHE 26 4.129 -5.909 -0.862 1482 HE2 PHE 26 HE2 PHE 26 7.100 -3.057 -1.967 1483 HZ PHE 26 HZ PHE 26 4.871 -4.050 -2.298 1484 H GLU 27 H GLU 27 11.035 -6.575 1.696 1485 HA GLU 27 HA GLU 27 11.957 -5.796 -0.801 1486 1HB GLU 27 1HB GLU 27 13.073 -5.217 1.296 1487 2HB GLU 27 2HB GLU 27 13.541 -6.895 1.526 1488 1HG GLU 27 1HG GLU 27 14.485 -6.183 -1.011 1489 2HG GLU 27 2HG GLU 27 14.850 -4.818 0.043 1490 H LYS 28 H LYS 28 12.641 -8.894 0.842 1491 HA LYS 28 HA LYS 28 14.030 -10.005 -1.340 1492 1HB LYS 28 1HB LYS 28 14.211 -10.741 1.038 1493 2HB LYS 28 2HB LYS 28 12.632 -11.503 0.873 1494 1HG LYS 28 1HG LYS 28 13.557 -12.904 -0.952 1495 2HG LYS 28 2HG LYS 28 15.143 -12.203 -0.631 1496 1HD LYS 28 1HD LYS 28 13.474 -13.720 1.375 1497 2HD LYS 28 2HD LYS 28 14.828 -14.394 0.464 1498 1HE LYS 28 1HE LYS 28 16.118 -12.346 1.478 1499 2HE LYS 28 2HE LYS 28 14.831 -12.400 2.682 1500 1HZ LYS 28 1HZ LYS 28 15.441 -14.556 3.324 1501 2HZ LYS 28 2HZ LYS 28 16.904 -13.715 3.188 1502 3HZ LYS 28 3HZ LYS 28 16.428 -14.788 1.968 1503 H VAL 29 H VAL 29 10.655 -10.545 -0.257 1504 HA VAL 29 HA VAL 29 10.033 -12.445 -2.228 1505 HB VAL 29 HB VAL 29 8.149 -10.548 -0.825 1506 1HG1 VAL 29 1HG1 VAL 29 7.198 -11.635 -2.834 1507 2HG1 VAL 29 2HG1 VAL 29 6.416 -12.152 -1.339 1508 3HG1 VAL 29 3HG1 VAL 29 7.584 -13.208 -2.133 1509 1HG2 VAL 29 1HG2 VAL 29 8.429 -13.366 0.025 1510 2HG2 VAL 29 2HG2 VAL 29 8.131 -11.913 0.983 1511 3HG2 VAL 29 3HG2 VAL 29 9.764 -12.282 0.425 1512 H VAL 30 H VAL 30 9.645 -8.918 -2.210 1513 HA VAL 30 HA VAL 30 8.260 -8.844 -4.694 1514 HB VAL 30 HB VAL 30 9.734 -6.613 -3.284 1515 1HG1 VAL 30 1HG1 VAL 30 9.453 -5.907 -5.516 1516 2HG1 VAL 30 2HG1 VAL 30 8.105 -5.191 -4.633 1517 3HG1 VAL 30 3HG1 VAL 30 7.847 -6.626 -5.627 1518 1HG2 VAL 30 1HG2 VAL 30 7.761 -7.852 -2.146 1519 2HG2 VAL 30 2HG2 VAL 30 6.767 -6.994 -3.322 1520 3HG2 VAL 30 3HG2 VAL 30 7.760 -6.090 -2.183 1521 H LYS 31 H LYS 31 11.699 -8.257 -3.852 1522 HA LYS 31 HA LYS 31 12.484 -7.564 -6.460 1523 1HB LYS 31 1HB LYS 31 13.847 -7.131 -4.445 1524 2HB LYS 31 2HB LYS 31 14.111 -8.858 -4.262 1525 1HG LYS 31 1HG LYS 31 15.036 -8.640 -6.715 1526 2HG LYS 31 2HG LYS 31 15.265 -6.960 -6.232 1527 1HD LYS 31 1HD LYS 31 16.404 -7.942 -4.140 1528 2HD LYS 31 2HD LYS 31 16.488 -9.441 -5.068 1529 1HE LYS 31 1HE LYS 31 17.565 -8.020 -6.906 1530 2HE LYS 31 2HE LYS 31 17.774 -6.792 -5.658 1531 1HZ LYS 31 1HZ LYS 31 19.322 -8.027 -4.568 1532 2HZ LYS 31 2HZ LYS 31 19.614 -8.578 -6.140 1533 3HZ LYS 31 3HZ LYS 31 18.689 -9.511 -5.077 1534 H GLN 32 H GLN 32 12.461 -10.660 -4.737 1535 HA GLN 32 HA GLN 32 13.619 -12.189 -6.797 1536 1HB GLN 32 1HB GLN 32 13.337 -12.871 -4.381 1537 2HB GLN 32 2HB GLN 32 11.645 -13.192 -4.744 1538 1HG GLN 32 1HG GLN 32 12.620 -15.274 -4.932 1539 2HG GLN 32 2HG GLN 32 12.562 -14.719 -6.602 1540 1HE2 GLN 32 1HE2 GLN 32 14.337 -15.086 -7.703 1541 2HE2 GLN 32 2HE2 GLN 32 15.940 -15.165 -7.067 1542 H PHE 33 H PHE 33 10.196 -11.533 -5.990 1543 HA PHE 33 HA PHE 33 9.153 -13.150 -8.056 1544 1HB PHE 33 1HB PHE 33 7.662 -12.800 -6.340 1545 2HB PHE 33 2HB PHE 33 8.094 -11.110 -6.159 1546 HD1 PHE 33 HD1 PHE 33 6.643 -13.220 -8.906 1547 HD2 PHE 33 HD2 PHE 33 6.386 -9.702 -6.526 1548 HE1 PHE 33 HE1 PHE 33 4.587 -12.564 -10.100 1549 HE2 PHE 33 HE2 PHE 33 4.342 -9.033 -7.720 1550 HZ PHE 33 HZ PHE 33 3.440 -10.458 -9.509 1551 H PHE 34 H PHE 34 9.757 -9.645 -7.860 1552 HA PHE 34 HA PHE 34 8.774 -9.216 -10.511 1553 1HB PHE 34 1HB PHE 34 10.035 -7.472 -8.444 1554 2HB PHE 34 2HB PHE 34 9.911 -6.897 -10.111 1555 HD1 PHE 34 HD1 PHE 34 7.953 -8.115 -7.220 1556 HD2 PHE 34 HD2 PHE 34 7.857 -6.193 -11.016 1557 HE1 PHE 34 HE1 PHE 34 5.584 -7.548 -6.870 1558 HE2 PHE 34 HE2 PHE 34 5.492 -5.617 -10.669 1559 HZ PHE 34 HZ PHE 34 4.347 -6.303 -8.600 1560 H ASN 35 H ASN 35 12.000 -9.711 -9.156 1561 HA ASN 35 HA ASN 35 13.531 -8.834 -11.312 1562 1HB ASN 35 1HB ASN 35 13.965 -10.953 -9.235 1563 2HB ASN 35 2HB ASN 35 15.109 -10.796 -10.564 1564 1HD2 ASN 35 1HD2 ASN 35 13.435 -8.026 -9.226 1565 2HD2 ASN 35 2HD2 ASN 35 14.816 -7.326 -8.465 1566 H ASP 36 H ASP 36 11.661 -11.745 -10.941 1567 HA ASP 36 HA ASP 36 12.719 -13.269 -13.044 1568 1HB ASP 36 1HB ASP 36 9.895 -13.264 -11.961 1569 2HB ASP 36 2HB ASP 36 10.622 -14.537 -12.942 1570 H ASN 37 H ASN 37 10.837 -10.431 -13.141 1571 HA ASN 37 HA ASN 37 10.021 -10.987 -15.915 1572 1HB ASN 37 1HB ASN 37 8.354 -9.267 -15.716 1573 2HB ASN 37 2HB ASN 37 8.212 -10.351 -14.337 1574 1HD2 ASN 37 1HD2 ASN 37 7.778 -9.323 -12.549 1575 2HD2 ASN 37 2HD2 ASN 37 8.360 -7.760 -12.095 1576 H GLY 38 H GLY 38 12.151 -9.013 -14.031 1577 1HA GLY 38 1HA GLY 38 13.976 -8.170 -15.585 1578 2HA GLY 38 2HA GLY 38 12.672 -7.361 -16.426 1579 H VAL 39 H VAL 39 12.266 -7.390 -13.024 1580 HA VAL 39 HA VAL 39 12.860 -4.538 -12.954 1581 HB VAL 39 HB VAL 39 11.722 -6.237 -10.732 1582 1HG1 VAL 39 1HG1 VAL 39 12.237 -3.344 -11.114 1583 2HG1 VAL 39 2HG1 VAL 39 12.289 -4.321 -9.648 1584 3HG1 VAL 39 3HG1 VAL 39 10.738 -3.794 -10.302 1585 1HG2 VAL 39 1HG2 VAL 39 10.013 -6.485 -12.198 1586 2HG2 VAL 39 2HG2 VAL 39 10.470 -5.066 -13.140 1587 3HG2 VAL 39 3HG2 VAL 39 9.599 -4.870 -11.620 1588 H ASP 40 H ASP 40 14.379 -3.574 -11.624 1589 HA ASP 40 HA ASP 40 15.955 -5.140 -9.791 1590 1HB ASP 40 1HB ASP 40 17.047 -4.265 -12.449 1591 2HB ASP 40 2HB ASP 40 18.111 -4.410 -11.051 1592 H GLY 41 H GLY 41 18.028 -3.650 -9.229 1593 1HA GLY 41 1HA GLY 41 18.674 -1.269 -9.033 1594 2HA GLY 41 2HA GLY 41 16.965 -0.920 -8.817 1595 H GLU 42 H GLU 42 17.145 0.031 -6.806 1596 HA GLU 42 HA GLU 42 17.547 -1.834 -4.605 1597 1HB GLU 42 1HB GLU 42 19.176 0.655 -5.038 1598 2HB GLU 42 2HB GLU 42 18.904 0.020 -3.422 1599 1HG GLU 42 1HG GLU 42 20.224 -1.425 -5.708 1600 2HG GLU 42 2HG GLU 42 21.026 -0.741 -4.294 1601 H TRP 43 H TRP 43 16.641 -1.115 -2.605 1602 HA TRP 43 HA TRP 43 14.245 0.396 -2.961 1603 1HB TRP 43 1HB TRP 43 15.535 -0.857 -0.540 1604 2HB TRP 43 2HB TRP 43 14.010 0.023 -0.462 1605 HD1 TRP 43 HD1 TRP 43 15.495 -3.291 -1.548 1606 HE1 TRP 43 HE1 TRP 43 13.593 -4.885 -2.230 1607 HE3 TRP 43 HE3 TRP 43 11.598 0.021 -1.495 1608 HZ2 TRP 43 HZ2 TRP 43 10.811 -4.758 -2.684 1609 HZ3 TRP 43 HZ3 TRP 43 9.349 -0.798 -2.066 1610 HH2 TRP 43 HH2 TRP 43 8.966 -3.137 -2.649 1611 H THR 44 H THR 44 14.060 2.484 -2.942 1612 HA THR 44 HA THR 44 16.002 4.072 -1.407 1613 HB THR 44 HB THR 44 15.485 5.920 -2.938 1614 HG1 THR 44 HG1 THR 44 13.381 5.404 -3.511 1615 1HG2 THR 44 1HG2 THR 44 16.137 3.424 -4.484 1616 2HG2 THR 44 2HG2 THR 44 17.296 4.401 -3.581 1617 3HG2 THR 44 3HG2 THR 44 16.463 5.085 -4.978 1618 H TYR 45 H TYR 45 15.296 5.606 -0.021 1619 HA TYR 45 HA TYR 45 12.711 5.256 1.120 1620 1HB TYR 45 1HB TYR 45 15.001 7.124 1.647 1621 2HB TYR 45 2HB TYR 45 13.449 7.375 2.442 1622 HD1 TYR 45 HD1 TYR 45 16.514 5.496 2.433 1623 HD2 TYR 45 HD2 TYR 45 12.510 5.513 3.872 1624 HE1 TYR 45 HE1 TYR 45 17.126 3.832 4.139 1625 HE2 TYR 45 HE2 TYR 45 13.110 3.852 5.582 1626 HH TYR 45 HH TYR 45 15.631 3.250 6.761 1627 H ASP 46 H ASP 46 10.925 6.585 1.084 1628 HA ASP 46 HA ASP 46 10.517 8.093 -1.297 1629 1HB ASP 46 1HB ASP 46 8.871 7.532 1.152 1630 2HB ASP 46 2HB ASP 46 8.330 8.722 -0.026 1631 H ASP 47 H ASP 47 9.764 10.338 -1.354 1632 HA ASP 47 HA ASP 47 11.572 12.084 -0.056 1633 1HB ASP 47 1HB ASP 47 10.185 13.895 -1.079 1634 2HB ASP 47 2HB ASP 47 10.704 12.668 -2.228 1635 H ALA 48 H ALA 48 11.476 13.025 1.870 1636 HA ALA 48 HA ALA 48 9.569 12.432 3.793 1637 1HB ALA 48 1HB ALA 48 10.590 14.223 5.125 1638 2HB ALA 48 2HB ALA 48 11.446 14.788 3.690 1639 3HB ALA 48 3HB ALA 48 11.798 13.192 4.358 1640 H THR 49 H THR 49 7.849 13.501 4.686 1641 HA THR 49 HA THR 49 6.900 15.957 3.409 1642 HB THR 49 HB THR 49 5.106 13.565 3.854 1643 HG1 THR 49 HG1 THR 49 5.196 13.287 1.630 1644 1HG2 THR 49 1HG2 THR 49 4.607 16.055 2.247 1645 2HG2 THR 49 2HG2 THR 49 3.991 15.774 3.874 1646 3HG2 THR 49 3HG2 THR 49 3.482 14.731 2.546 1647 H LYS 50 H LYS 50 5.299 17.105 4.692 1648 HA LYS 50 HA LYS 50 5.321 16.301 7.527 1649 1HB LYS 50 1HB LYS 50 5.849 18.979 6.284 1650 2HB LYS 50 2HB LYS 50 5.213 18.872 7.918 1651 1HG LYS 50 1HG LYS 50 7.172 17.368 8.446 1652 2HG LYS 50 2HG LYS 50 7.836 17.842 6.880 1653 1HD LYS 50 1HD LYS 50 6.937 19.991 8.726 1654 2HD LYS 50 2HD LYS 50 8.439 19.144 9.109 1655 1HE LYS 50 1HE LYS 50 9.090 19.609 6.673 1656 2HE LYS 50 2HE LYS 50 7.765 20.772 6.678 1657 1HZ LYS 50 1HZ LYS 50 10.004 20.803 8.626 1658 2HZ LYS 50 2HZ LYS 50 8.808 21.982 8.431 1659 3HZ LYS 50 3HZ LYS 50 9.962 21.741 7.219 1660 H THR 51 H THR 51 3.371 15.906 8.266 1661 HA THR 51 HA THR 51 1.052 17.177 6.987 1662 HB THR 51 HB THR 51 1.333 14.645 8.618 1663 HG1 THR 51 HG1 THR 51 0.682 13.687 6.696 1664 1HG2 THR 51 1HG2 THR 51 -0.797 15.631 9.227 1665 2HG2 THR 51 2HG2 THR 51 -1.035 14.221 8.196 1666 3HG2 THR 51 3HG2 THR 51 -1.204 15.844 7.525 1667 H PHE 52 H PHE 52 -0.237 18.543 8.109 1668 HA PHE 52 HA PHE 52 0.637 19.388 10.727 1669 1HB PHE 52 1HB PHE 52 -0.083 21.013 8.987 1670 2HB PHE 52 2HB PHE 52 -1.718 20.366 9.101 1671 HD1 PHE 52 HD1 PHE 52 0.923 22.144 10.979 1672 HD2 PHE 52 HD2 PHE 52 -3.191 21.065 10.795 1673 HE1 PHE 52 HE1 PHE 52 0.434 23.708 12.814 1674 HE2 PHE 52 HE2 PHE 52 -3.686 22.629 12.628 1675 HZ PHE 52 HZ PHE 52 -1.873 23.954 13.640 1676 H THR 53 H THR 53 -0.007 18.387 12.517 1677 HA THR 53 HA THR 53 -2.461 16.834 12.525 1678 HB THR 53 HB THR 53 -0.398 17.250 14.700 1679 HG1 THR 53 HG1 THR 53 -0.771 15.164 12.821 1680 1HG2 THR 53 1HG2 THR 53 -2.676 15.298 14.507 1681 2HG2 THR 53 2HG2 THR 53 -2.420 16.536 15.738 1682 3HG2 THR 53 3HG2 THR 53 -1.333 15.152 15.641 1683 H VAL 54 H VAL 54 -4.357 17.609 13.190 1684 HA VAL 54 HA VAL 54 -4.601 20.261 14.199 1685 HB VAL 54 HB VAL 54 -6.803 18.215 14.306 1686 1HG1 VAL 54 1HG1 VAL 54 -8.152 20.270 13.730 1687 2HG1 VAL 54 2HG1 VAL 54 -6.687 21.207 14.023 1688 3HG1 VAL 54 3HG1 VAL 54 -7.404 20.263 15.327 1689 1HG2 VAL 54 1HG2 VAL 54 -7.365 19.095 11.969 1690 2HG2 VAL 54 2HG2 VAL 54 -6.057 17.920 12.102 1691 3HG2 VAL 54 3HG2 VAL 54 -5.687 19.634 11.905 1692 H THR 55 H THR 55 -5.579 20.896 16.207 1693 HA THR 55 HA THR 55 -5.604 18.960 18.369 1694 HB THR 55 HB THR 55 -3.809 21.389 18.447 1695 HG1 THR 55 HG1 THR 55 -2.153 19.816 18.552 1696 1HG2 THR 55 1HG2 THR 55 -3.896 19.206 20.492 1697 2HG2 THR 55 2HG2 THR 55 -4.895 20.651 20.630 1698 3HG2 THR 55 3HG2 THR 55 -3.137 20.795 20.594 1699 H GLU 56 H GLU 56 -5.430 22.495 18.137 1700 HA GLU 56 HA GLU 56 -6.817 24.148 18.857 1701 1HB GLU 56 1HB GLU 56 -9.035 22.115 18.617 1702 2HB GLU 56 2HB GLU 56 -9.181 23.864 18.550 1703 1HG GLU 56 1HG GLU 56 -8.166 23.972 16.431 1704 2HG GLU 56 2HG GLU 56 -7.588 22.308 16.540 Start of MODEL 11 1 1H MET 1 1H MET 1 11.215 21.299 -0.112 2 2H MET 1 2H MET 1 9.701 21.845 -0.709 3 3H MET 1 3H MET 1 10.399 20.403 -1.324 4 HA MET 1 HA MET 1 10.050 19.253 0.618 5 1HB MET 1 1HB MET 1 9.712 22.013 1.733 6 2HB MET 1 2HB MET 1 8.958 20.656 2.558 7 1HG MET 1 1HG MET 1 11.801 20.336 1.848 8 2HG MET 1 2HG MET 1 11.430 21.531 3.089 9 1HE MET 1 1HE MET 1 9.094 18.527 2.525 10 2HE MET 1 2HE MET 1 9.799 17.247 3.513 11 3HE MET 1 3HE MET 1 10.611 17.769 2.037 12 H GLN 2 H GLN 2 8.196 18.132 0.736 13 HA GLN 2 HA GLN 2 5.871 19.221 -0.641 14 1HB GLN 2 1HB GLN 2 6.821 16.901 -1.077 15 2HB GLN 2 2HB GLN 2 6.176 16.442 0.494 16 1HG GLN 2 1HG GLN 2 4.002 16.549 -0.210 17 2HG GLN 2 2HG GLN 2 4.356 17.716 -1.483 18 1HE2 GLN 2 1HE2 GLN 2 5.313 14.416 -0.580 19 2HE2 GLN 2 2HE2 GLN 2 5.163 13.755 -2.169 20 H TYR 3 H TYR 3 4.212 20.093 0.400 21 HA TYR 3 HA TYR 3 3.915 19.530 3.269 22 1HB TYR 3 1HB TYR 3 3.333 21.946 1.602 23 2HB TYR 3 2HB TYR 3 2.472 21.700 3.118 24 HD1 TYR 3 HD1 TYR 3 5.608 22.660 1.577 25 HD2 TYR 3 HD2 TYR 3 3.744 21.602 5.251 26 HE1 TYR 3 HE1 TYR 3 7.507 23.619 2.811 27 HE2 TYR 3 HE2 TYR 3 5.636 22.557 6.495 28 HH TYR 3 HH TYR 3 8.025 23.066 6.105 29 H LYS 4 H LYS 4 2.145 18.697 4.072 30 HA LYS 4 HA LYS 4 -0.078 18.086 2.239 31 1HB LYS 4 1HB LYS 4 0.640 16.747 4.854 32 2HB LYS 4 2HB LYS 4 -0.641 16.252 3.755 33 1HG LYS 4 1HG LYS 4 2.090 16.426 2.633 34 2HG LYS 4 2HG LYS 4 1.770 15.122 3.779 35 1HD LYS 4 1HD LYS 4 -0.161 15.614 1.558 36 2HD LYS 4 2HD LYS 4 1.356 14.783 1.209 37 1HE LYS 4 1HE LYS 4 0.748 13.278 3.202 38 2HE LYS 4 2HE LYS 4 -0.876 13.945 3.031 39 1HZ LYS 4 1HZ LYS 4 -0.777 11.939 1.794 40 2HZ LYS 4 2HZ LYS 4 0.651 12.398 1.012 41 3HZ LYS 4 3HZ LYS 4 -0.796 13.204 0.670 42 H VAL 5 H VAL 5 -2.058 18.884 2.597 43 HA VAL 5 HA VAL 5 -2.748 19.929 5.243 44 HB VAL 5 HB VAL 5 -3.174 21.582 2.753 45 1HG1 VAL 5 1HG1 VAL 5 -3.853 23.322 4.250 46 2HG1 VAL 5 2HG1 VAL 5 -3.408 22.355 5.656 47 3HG1 VAL 5 3HG1 VAL 5 -4.771 21.869 4.648 48 1HG2 VAL 5 1HG2 VAL 5 -0.855 21.660 3.032 49 2HG2 VAL 5 2HG2 VAL 5 -0.974 21.644 4.792 50 3HG2 VAL 5 3HG2 VAL 5 -1.434 23.088 3.890 51 H ILE 6 H ILE 6 -4.759 19.347 5.815 52 HA ILE 6 HA ILE 6 -6.515 18.252 3.740 53 HB ILE 6 HB ILE 6 -6.851 18.003 6.727 54 1HG1 ILE 6 1HG1 ILE 6 -5.588 16.000 4.845 55 2HG1 ILE 6 2HG1 ILE 6 -4.677 17.048 5.927 56 1HG2 ILE 6 1HG2 ILE 6 -8.112 16.685 4.346 57 2HG2 ILE 6 2HG2 ILE 6 -8.891 17.515 5.693 58 3HG2 ILE 6 3HG2 ILE 6 -8.141 15.937 5.942 59 1HD1 ILE 6 1HD1 ILE 6 -5.415 14.545 6.537 60 2HD1 ILE 6 2HD1 ILE 6 -6.791 15.437 7.188 61 3HD1 ILE 6 3HD1 ILE 6 -5.157 15.810 7.739 62 H LEU 7 H LEU 7 -8.105 19.501 2.994 63 HA LEU 7 HA LEU 7 -9.324 21.471 4.820 64 1HB LEU 7 1HB LEU 7 -8.407 21.718 2.009 65 2HB LEU 7 2HB LEU 7 -9.925 22.501 2.404 66 HG LEU 7 HG LEU 7 -8.395 23.418 4.434 67 1HD1 LEU 7 1HD1 LEU 7 -6.189 23.861 3.792 68 2HD1 LEU 7 2HD1 LEU 7 -6.491 23.402 2.116 69 3HD1 LEU 7 3HD1 LEU 7 -6.443 22.167 3.374 70 1HD2 LEU 7 1HD2 LEU 7 -8.103 25.474 3.072 71 2HD2 LEU 7 2HD2 LEU 7 -9.742 24.823 3.017 72 3HD2 LEU 7 3HD2 LEU 7 -8.647 24.570 1.658 73 H ASN 8 H ASN 8 -11.392 21.009 5.289 74 HA ASN 8 HA ASN 8 -13.181 20.033 3.238 75 1HB ASN 8 1HB ASN 8 -13.895 18.060 4.622 76 2HB ASN 8 2HB ASN 8 -12.288 17.918 3.915 77 1HD2 ASN 8 1HD2 ASN 8 -14.070 17.560 6.676 78 2HD2 ASN 8 2HD2 ASN 8 -12.790 17.552 7.836 79 H GLY 9 H GLY 9 -14.972 21.179 3.471 80 1HA GLY 9 1HA GLY 9 -15.597 22.697 5.763 81 2HA GLY 9 2HA GLY 9 -16.686 22.372 4.423 82 H LYS 10 H LYS 10 -17.130 19.735 4.506 83 HA LYS 10 HA LYS 10 -18.391 18.136 5.513 84 1HB LYS 10 1HB LYS 10 -16.235 18.572 7.173 85 2HB LYS 10 2HB LYS 10 -17.598 18.730 8.270 86 1HG LYS 10 1HG LYS 10 -18.320 16.538 7.870 87 2HG LYS 10 2HG LYS 10 -17.328 16.387 6.419 88 1HD LYS 10 1HD LYS 10 -15.457 15.887 7.591 89 2HD LYS 10 2HD LYS 10 -15.874 16.971 8.919 90 1HE LYS 10 1HE LYS 10 -16.113 14.943 9.956 91 2HE LYS 10 2HE LYS 10 -17.753 15.185 9.353 92 1HZ LYS 10 1HZ LYS 10 -15.737 13.714 7.772 93 2HZ LYS 10 2HZ LYS 10 -17.421 13.673 7.633 94 3HZ LYS 10 3HZ LYS 10 -16.665 12.936 8.954 95 H THR 11 H THR 11 -20.003 17.790 7.442 96 HA THR 11 HA THR 11 -22.041 19.694 7.168 97 HB THR 11 HB THR 11 -23.150 18.456 9.031 98 HG1 THR 11 HG1 THR 11 -21.522 17.805 10.322 99 1HG2 THR 11 1HG2 THR 11 -23.546 16.481 7.881 100 2HG2 THR 11 2HG2 THR 11 -21.923 16.441 7.194 101 3HG2 THR 11 3HG2 THR 11 -23.097 17.623 6.616 102 H LEU 12 H LEU 12 -22.456 21.547 8.169 103 HA LEU 12 HA LEU 12 -21.345 22.053 10.826 104 1HB LEU 12 1HB LEU 12 -19.712 22.973 9.261 105 2HB LEU 12 2HB LEU 12 -20.973 23.888 8.457 106 HG LEU 12 HG LEU 12 -21.335 25.087 10.668 107 1HD1 LEU 12 1HD1 LEU 12 -18.626 23.934 11.303 108 2HD1 LEU 12 2HD1 LEU 12 -20.137 23.381 12.027 109 3HD1 LEU 12 3HD1 LEU 12 -19.584 25.033 12.296 110 1HD2 LEU 12 1HD2 LEU 12 -18.562 25.572 9.678 111 2HD2 LEU 12 2HD2 LEU 12 -19.832 26.728 10.085 112 3HD2 LEU 12 3HD2 LEU 12 -19.927 25.803 8.586 113 H LYS 13 H LYS 13 -23.097 22.458 12.008 114 HA LYS 13 HA LYS 13 -25.495 23.541 10.864 115 1HB LYS 13 1HB LYS 13 -26.412 23.355 13.128 116 2HB LYS 13 2HB LYS 13 -25.611 21.869 12.640 117 1HG LYS 13 1HG LYS 13 -23.851 22.178 14.105 118 2HG LYS 13 2HG LYS 13 -24.125 23.916 14.226 119 1HD LYS 13 1HD LYS 13 -25.066 23.363 16.202 120 2HD LYS 13 2HD LYS 13 -26.466 22.990 15.197 121 1HE LYS 13 1HE LYS 13 -24.455 20.847 15.537 122 2HE LYS 13 2HE LYS 13 -25.418 21.261 16.954 123 1HZ LYS 13 1HZ LYS 13 -27.401 20.744 15.822 124 2HZ LYS 13 2HZ LYS 13 -26.343 19.468 15.487 125 3HZ LYS 13 3HZ LYS 13 -26.629 20.657 14.319 126 H GLY 14 H GLY 14 -26.429 25.535 11.215 127 1HA GLY 14 1HA GLY 14 -26.122 27.554 12.837 128 2HA GLY 14 2HA GLY 14 -24.549 27.626 12.055 129 H GLU 15 H GLU 15 -25.640 29.861 11.694 130 HA GLU 15 HA GLU 15 -26.573 29.857 8.940 131 1HB GLU 15 1HB GLU 15 -28.457 31.367 9.422 132 2HB GLU 15 2HB GLU 15 -28.658 29.802 10.196 133 1HG GLU 15 1HG GLU 15 -27.986 30.720 12.322 134 2HG GLU 15 2HG GLU 15 -27.647 32.279 11.571 135 H THR 16 H THR 16 -24.101 30.605 10.014 136 HA THR 16 HA THR 16 -24.071 33.428 9.268 137 HB THR 16 HB THR 16 -22.641 32.405 11.726 138 HG1 THR 16 HG1 THR 16 -24.784 32.521 12.237 139 1HG2 THR 16 1HG2 THR 16 -22.951 35.170 11.840 140 2HG2 THR 16 2HG2 THR 16 -22.386 34.825 10.205 141 3HG2 THR 16 3HG2 THR 16 -21.457 34.265 11.597 142 H THR 17 H THR 17 -22.490 33.866 7.880 143 HA THR 17 HA THR 17 -20.712 33.592 6.493 144 HB THR 17 HB THR 17 -18.609 33.111 7.491 145 HG1 THR 17 HG1 THR 17 -18.468 31.484 8.777 146 1HG2 THR 17 1HG2 THR 17 -18.499 34.682 9.102 147 2HG2 THR 17 2HG2 THR 17 -19.904 34.058 9.966 148 3HG2 THR 17 3HG2 THR 17 -20.123 35.038 8.517 149 H THR 18 H THR 18 -19.140 31.943 5.539 150 HA THR 18 HA THR 18 -20.128 29.200 5.713 151 HB THR 18 HB THR 18 -20.409 28.985 3.321 152 HG1 THR 18 HG1 THR 18 -20.192 30.836 1.989 153 1HG2 THR 18 1HG2 THR 18 -22.247 30.571 2.861 154 2HG2 THR 18 2HG2 THR 18 -21.854 31.406 4.363 155 3HG2 THR 18 3HG2 THR 18 -22.406 29.731 4.405 156 H GLU 19 H GLU 19 -17.697 30.502 6.569 157 HA GLU 19 HA GLU 19 -15.702 29.403 4.718 158 1HB GLU 19 1HB GLU 19 -15.433 31.312 7.045 159 2HB GLU 19 2HB GLU 19 -14.068 30.676 6.135 160 1HG GLU 19 1HG GLU 19 -14.726 31.804 4.171 161 2HG GLU 19 2HG GLU 19 -16.308 32.200 4.843 162 H ALA 20 H ALA 20 -14.834 27.488 5.147 163 HA ALA 20 HA ALA 20 -14.043 26.706 7.769 164 1HB ALA 20 1HB ALA 20 -16.309 25.111 6.587 165 2HB ALA 20 2HB ALA 20 -16.502 26.304 7.870 166 3HB ALA 20 3HB ALA 20 -15.522 24.865 8.146 167 H VAL 21 H VAL 21 -12.225 26.754 6.161 168 HA VAL 21 HA VAL 21 -10.707 25.778 4.746 169 HB VAL 21 HB VAL 21 -10.248 23.336 5.275 170 1HG1 VAL 21 1HG1 VAL 21 -8.905 24.923 6.349 171 2HG1 VAL 21 2HG1 VAL 21 -9.521 23.912 7.657 172 3HG1 VAL 21 3HG1 VAL 21 -10.233 25.497 7.358 173 1HG2 VAL 21 1HG2 VAL 21 -12.536 22.764 6.011 174 2HG2 VAL 21 2HG2 VAL 21 -12.318 23.802 7.420 175 3HG2 VAL 21 3HG2 VAL 21 -11.312 22.368 7.218 176 H ASP 22 H ASP 22 -12.070 26.210 2.903 177 HA ASP 22 HA ASP 22 -13.430 23.871 1.762 178 1HB ASP 22 1HB ASP 22 -14.671 26.023 1.897 179 2HB ASP 22 2HB ASP 22 -13.474 26.746 0.826 180 H ALA 23 H ALA 23 -13.006 23.109 -0.250 181 HA ALA 23 HA ALA 23 -10.383 22.872 -1.060 182 1HB ALA 23 1HB ALA 23 -12.835 21.843 -1.793 183 2HB ALA 23 2HB ALA 23 -11.266 21.382 -2.459 184 3HB ALA 23 3HB ALA 23 -12.245 22.608 -3.268 185 H ALA 24 H ALA 24 -12.864 25.103 -2.256 186 HA ALA 24 HA ALA 24 -11.276 26.274 -4.292 187 1HB ALA 24 1HB ALA 24 -13.764 26.363 -4.187 188 2HB ALA 24 2HB ALA 24 -13.000 27.929 -4.466 189 3HB ALA 24 3HB ALA 24 -13.619 27.522 -2.865 190 H THR 25 H THR 25 -11.656 26.887 -0.873 191 HA THR 25 HA THR 25 -10.553 29.474 -0.759 192 HB THR 25 HB THR 25 -10.599 27.256 1.299 193 HG1 THR 25 HG1 THR 25 -12.421 28.251 2.022 194 1HG2 THR 25 1HG2 THR 25 -9.390 29.887 1.457 195 2HG2 THR 25 2HG2 THR 25 -9.265 28.506 2.549 196 3HG2 THR 25 3HG2 THR 25 -10.628 29.621 2.686 197 H PHE 26 H PHE 26 -9.094 26.276 -0.681 198 HA PHE 26 HA PHE 26 -6.460 27.125 -0.067 199 1HB PHE 26 1HB PHE 26 -7.454 24.745 0.044 200 2HB PHE 26 2HB PHE 26 -7.086 24.660 -1.676 201 HD1 PHE 26 HD1 PHE 26 -5.530 25.333 1.627 202 HD2 PHE 26 HD2 PHE 26 -4.963 24.051 -2.390 203 HE1 PHE 26 HE1 PHE 26 -3.212 24.704 2.160 204 HE2 PHE 26 HE2 PHE 26 -2.645 23.418 -1.865 205 HZ PHE 26 HZ PHE 26 -1.766 23.745 0.413 206 H GLU 27 H GLU 27 -8.104 26.410 -3.114 207 HA GLU 27 HA GLU 27 -5.983 26.734 -4.866 208 1HB GLU 27 1HB GLU 27 -8.155 25.826 -5.520 209 2HB GLU 27 2HB GLU 27 -8.897 27.404 -5.300 210 1HG GLU 27 1HG GLU 27 -6.770 27.817 -7.066 211 2HG GLU 27 2HG GLU 27 -7.542 26.320 -7.587 212 H LYS 28 H LYS 28 -8.379 29.211 -3.930 213 HA LYS 28 HA LYS 28 -7.147 31.285 -5.384 214 1HB LYS 28 1HB LYS 28 -9.535 31.195 -4.585 215 2HB LYS 28 2HB LYS 28 -8.941 31.629 -2.988 216 1HG LYS 28 1HG LYS 28 -7.931 33.677 -4.029 217 2HG LYS 28 2HG LYS 28 -8.806 33.265 -5.505 218 1HD LYS 28 1HD LYS 28 -10.156 33.597 -2.834 219 2HD LYS 28 2HD LYS 28 -9.937 34.928 -3.972 220 1HE LYS 28 1HE LYS 28 -11.072 33.379 -5.681 221 2HE LYS 28 2HE LYS 28 -11.582 32.438 -4.279 222 1HZ LYS 28 1HZ LYS 28 -13.290 33.996 -4.869 223 2HZ LYS 28 2HZ LYS 28 -12.206 35.292 -4.810 224 3HZ LYS 28 3HZ LYS 28 -12.615 34.469 -3.391 225 H VAL 29 H VAL 29 -7.019 30.567 -1.863 226 HA VAL 29 HA VAL 29 -5.413 32.781 -1.211 227 HB VAL 29 HB VAL 29 -5.620 30.138 0.237 228 1HG1 VAL 29 1HG1 VAL 29 -3.672 31.495 0.921 229 2HG1 VAL 29 2HG1 VAL 29 -4.873 31.340 2.204 230 3HG1 VAL 29 3HG1 VAL 29 -4.761 32.838 1.281 231 1HG2 VAL 29 1HG2 VAL 29 -7.687 31.774 -0.279 232 2HG2 VAL 29 2HG2 VAL 29 -7.074 32.518 1.198 233 3HG2 VAL 29 3HG2 VAL 29 -7.547 30.819 1.197 234 H VAL 30 H VAL 30 -4.547 29.425 -1.957 235 HA VAL 30 HA VAL 30 -1.783 29.778 -1.437 236 HB VAL 30 HB VAL 30 -3.125 27.645 -3.103 237 1HG1 VAL 30 1HG1 VAL 30 -0.407 27.649 -1.789 238 2HG1 VAL 30 2HG1 VAL 30 -0.711 27.792 -3.521 239 3HG1 VAL 30 3HG1 VAL 30 -1.138 26.306 -2.671 240 1HG2 VAL 30 1HG2 VAL 30 -3.818 27.990 -0.646 241 2HG2 VAL 30 2HG2 VAL 30 -2.221 27.348 -0.263 242 3HG2 VAL 30 3HG2 VAL 30 -3.370 26.368 -1.174 243 H LYS 31 H LYS 31 -3.621 29.751 -4.511 244 HA LYS 31 HA LYS 31 -1.369 30.083 -6.158 245 1HB LYS 31 1HB LYS 31 -3.564 29.357 -6.993 246 2HB LYS 31 2HB LYS 31 -4.233 30.939 -6.623 247 1HG LYS 31 1HG LYS 31 -2.387 31.822 -8.208 248 2HG LYS 31 2HG LYS 31 -2.330 30.153 -8.784 249 1HD LYS 31 1HD LYS 31 -4.740 30.249 -9.253 250 2HD LYS 31 2HD LYS 31 -4.771 31.928 -8.710 251 1HE LYS 31 1HE LYS 31 -3.147 32.492 -10.485 252 2HE LYS 31 2HE LYS 31 -3.225 30.824 -11.053 253 1HZ LYS 31 1HZ LYS 31 -4.700 32.006 -12.403 254 2HZ LYS 31 2HZ LYS 31 -5.351 32.880 -11.110 255 3HZ LYS 31 3HZ LYS 31 -5.703 31.234 -11.279 256 H GLN 32 H GLN 32 -3.597 32.422 -4.704 257 HA GLN 32 HA GLN 32 -2.443 34.716 -5.871 258 1HB GLN 32 1HB GLN 32 -4.713 34.570 -4.794 259 2HB GLN 32 2HB GLN 32 -3.903 34.591 -3.232 260 1HG GLN 32 1HG GLN 32 -3.109 36.783 -3.557 261 2HG GLN 32 2HG GLN 32 -3.515 36.757 -5.272 262 1HE2 GLN 32 1HE2 GLN 32 -5.466 37.442 -5.899 263 2HE2 GLN 32 2HE2 GLN 32 -6.745 37.902 -4.831 264 H PHE 33 H PHE 33 -1.833 33.076 -2.758 265 HA PHE 33 HA PHE 33 -0.028 35.017 -1.799 266 1HB PHE 33 1HB PHE 33 -0.978 33.773 -0.119 267 2HB PHE 33 2HB PHE 33 -0.887 32.275 -1.026 268 HD1 PHE 33 HD1 PHE 33 1.625 34.738 0.296 269 HD2 PHE 33 HD2 PHE 33 0.322 30.699 -0.010 270 HE1 PHE 33 HE1 PHE 33 3.559 34.011 1.642 271 HE2 PHE 33 HE2 PHE 33 2.254 29.964 1.320 272 HZ PHE 33 HZ PHE 33 3.878 31.616 2.146 273 H PHE 34 H PHE 34 0.526 31.889 -3.410 274 HA PHE 34 HA PHE 34 3.364 32.257 -3.302 275 1HB PHE 34 1HB PHE 34 1.596 30.158 -4.496 276 2HB PHE 34 2HB PHE 34 3.325 30.193 -4.854 277 HD1 PHE 34 HD1 PHE 34 1.021 28.685 -2.816 278 HD2 PHE 34 HD2 PHE 34 4.740 30.733 -2.570 279 HE1 PHE 34 HE1 PHE 34 1.481 27.593 -0.656 280 HE2 PHE 34 HE2 PHE 34 5.211 29.643 -0.421 281 HZ PHE 34 HZ PHE 34 3.583 28.076 0.546 282 H ASN 35 H ASN 35 0.898 32.888 -5.737 283 HA ASN 35 HA ASN 35 2.520 33.129 -7.988 284 1HB ASN 35 1HB ASN 35 -0.041 34.440 -7.174 285 2HB ASN 35 2HB ASN 35 0.792 35.013 -8.613 286 1HD2 ASN 35 1HD2 ASN 35 0.867 31.644 -7.607 287 2HD2 ASN 35 2HD2 ASN 35 -0.109 31.052 -8.903 288 H ASP 36 H ASP 36 2.200 35.230 -5.255 289 HA ASP 36 HA ASP 36 3.304 37.590 -6.290 290 1HB ASP 36 1HB ASP 36 3.400 36.508 -3.469 291 2HB ASP 36 2HB ASP 36 3.779 38.165 -3.934 292 H ASN 37 H ASN 37 4.785 34.588 -5.672 293 HA ASN 37 HA ASN 37 7.450 35.832 -5.541 294 1HB ASN 37 1HB ASN 37 8.319 33.805 -4.640 295 2HB ASN 37 2HB ASN 37 6.842 34.172 -3.759 296 1HD2 ASN 37 1HD2 ASN 37 5.642 32.472 -3.374 297 2HD2 ASN 37 2HD2 ASN 37 5.507 31.066 -4.369 298 H GLY 38 H GLY 38 5.370 34.207 -7.720 299 1HA GLY 38 1HA GLY 38 6.225 34.409 -10.054 300 2HA GLY 38 2HA GLY 38 7.679 33.623 -9.467 301 H VAL 39 H VAL 39 4.727 32.434 -8.149 302 HA VAL 39 HA VAL 39 5.106 29.934 -9.588 303 HB VAL 39 HB VAL 39 3.057 30.541 -7.455 304 1HG1 VAL 39 1HG1 VAL 39 2.489 28.568 -8.667 305 2HG1 VAL 39 2HG1 VAL 39 3.183 28.060 -7.128 306 3HG1 VAL 39 3HG1 VAL 39 4.149 27.978 -8.601 307 1HG2 VAL 39 1HG2 VAL 39 5.045 30.948 -6.331 308 2HG2 VAL 39 2HG2 VAL 39 5.931 29.732 -7.251 309 3HG2 VAL 39 3HG2 VAL 39 4.769 29.234 -6.021 310 H ASP 40 H ASP 40 3.602 28.974 -10.937 311 HA ASP 40 HA ASP 40 1.058 30.243 -11.436 312 1HB ASP 40 1HB ASP 40 3.330 30.387 -13.388 313 2HB ASP 40 2HB ASP 40 1.669 30.328 -13.968 314 H GLY 41 H GLY 41 0.124 29.104 -13.573 315 1HA GLY 41 1HA GLY 41 0.133 26.978 -14.799 316 2HA GLY 41 2HA GLY 41 0.712 26.217 -13.325 317 H GLU 42 H GLU 42 -0.933 24.756 -13.059 318 HA GLU 42 HA GLU 42 -3.438 25.857 -12.089 319 1HB GLU 42 1HB GLU 42 -3.360 23.875 -14.371 320 2HB GLU 42 2HB GLU 42 -4.811 24.385 -13.518 321 1HG GLU 42 1HG GLU 42 -4.190 26.753 -14.233 322 2HG GLU 42 2HG GLU 42 -3.059 25.984 -15.348 323 H TRP 43 H TRP 43 -4.754 24.289 -10.963 324 HA TRP 43 HA TRP 43 -3.170 22.485 -9.416 325 1HB TRP 43 1HB TRP 43 -6.134 23.053 -9.473 326 2HB TRP 43 2HB TRP 43 -5.385 21.924 -8.345 327 HD1 TRP 43 HD1 TRP 43 -5.896 25.623 -8.971 328 HE1 TRP 43 HE1 TRP 43 -4.968 26.956 -6.975 329 HE3 TRP 43 HE3 TRP 43 -3.504 21.835 -6.506 330 HZ2 TRP 43 HZ2 TRP 43 -3.427 26.467 -4.663 331 HZ3 TRP 43 HZ3 TRP 43 -2.326 22.353 -4.408 332 HH2 TRP 43 HH2 TRP 43 -2.289 24.622 -3.507 333 H THR 44 H THR 44 -2.674 20.492 -9.835 334 HA THR 44 HA THR 44 -4.342 18.982 -11.731 335 HB THR 44 HB THR 44 -2.355 17.711 -12.316 336 HG1 THR 44 HG1 THR 44 -0.451 17.995 -11.317 337 1HG2 THR 44 1HG2 THR 44 -1.039 19.352 -13.430 338 2HG2 THR 44 2HG2 THR 44 -1.607 20.622 -12.344 339 3HG2 THR 44 3HG2 THR 44 -2.724 19.870 -13.484 340 H TYR 45 H TYR 45 -5.014 16.990 -11.218 341 HA TYR 45 HA TYR 45 -5.167 16.280 -8.457 342 1HB TYR 45 1HB TYR 45 -6.101 15.007 -11.011 343 2HB TYR 45 2HB TYR 45 -6.178 14.113 -9.495 344 HD1 TYR 45 HD1 TYR 45 -7.651 16.754 -11.494 345 HD2 TYR 45 HD2 TYR 45 -7.604 14.949 -7.642 346 HE1 TYR 45 HE1 TYR 45 -9.785 17.852 -10.959 347 HE2 TYR 45 HE2 TYR 45 -9.736 16.041 -7.096 348 HH TYR 45 HH TYR 45 -11.730 16.962 -8.440 349 H ASP 46 H ASP 46 -4.233 14.533 -7.380 350 HA ASP 46 HA ASP 46 -1.594 13.856 -8.220 351 1HB ASP 46 1HB ASP 46 -3.332 13.074 -5.899 352 2HB ASP 46 2HB ASP 46 -1.813 12.231 -6.191 353 H ASP 47 H ASP 47 -0.777 11.679 -8.525 354 HA ASP 47 HA ASP 47 -2.290 10.207 -10.405 355 1HB ASP 47 1HB ASP 47 0.295 9.659 -8.961 356 2HB ASP 47 2HB ASP 47 -0.410 8.483 -10.066 357 H ALA 48 H ALA 48 -3.619 8.503 -10.194 358 HA ALA 48 HA ALA 48 -4.792 7.835 -7.767 359 1HB ALA 48 1HB ALA 48 -5.932 6.093 -8.929 360 2HB ALA 48 2HB ALA 48 -4.693 6.042 -10.184 361 3HB ALA 48 3HB ALA 48 -5.749 7.448 -10.044 362 H THR 49 H THR 49 -4.548 6.205 -6.302 363 HA THR 49 HA THR 49 -2.358 4.296 -6.672 364 HB THR 49 HB THR 49 -2.721 5.937 -4.158 365 HG1 THR 49 HG1 THR 49 -1.280 7.261 -4.920 366 1HG2 THR 49 1HG2 THR 49 -0.502 4.060 -4.929 367 2HG2 THR 49 2HG2 THR 49 -1.762 3.725 -3.742 368 3HG2 THR 49 3HG2 THR 49 -0.602 5.021 -3.453 369 H LYS 50 H LYS 50 -2.493 2.434 -5.246 370 HA LYS 50 HA LYS 50 -5.250 1.967 -4.308 371 1HB LYS 50 1HB LYS 50 -3.316 -0.174 -5.185 372 2HB LYS 50 2HB LYS 50 -5.049 -0.322 -4.929 373 1HG LYS 50 1HG LYS 50 -5.131 1.502 -6.837 374 2HG LYS 50 2HG LYS 50 -3.558 0.808 -7.232 375 1HD LYS 50 1HD LYS 50 -4.624 -1.439 -7.274 376 2HD LYS 50 2HD LYS 50 -6.188 -0.656 -7.032 377 1HE LYS 50 1HE LYS 50 -5.487 0.746 -9.119 378 2HE LYS 50 2HE LYS 50 -4.381 -0.597 -9.411 379 1HZ LYS 50 1HZ LYS 50 -6.415 -0.986 -10.581 380 2HZ LYS 50 2HZ LYS 50 -7.337 -0.752 -9.182 381 3HZ LYS 50 3HZ LYS 50 -6.320 -2.098 -9.309 382 H THR 51 H THR 51 -5.579 0.837 -2.402 383 HA THR 51 HA THR 51 -3.259 0.205 -0.743 384 HB THR 51 HB THR 51 -5.425 2.194 -0.046 385 HG1 THR 51 HG1 THR 51 -3.230 2.698 -1.001 386 1HG2 THR 51 1HG2 THR 51 -5.442 1.441 2.051 387 2HG2 THR 51 2HG2 THR 51 -3.816 2.117 2.164 388 3HG2 THR 51 3HG2 THR 51 -4.037 0.407 1.791 389 H PHE 52 H PHE 52 -3.528 -1.666 0.315 390 HA PHE 52 HA PHE 52 -6.021 -3.087 0.024 391 1HB PHE 52 1HB PHE 52 -3.827 -4.203 -0.285 392 2HB PHE 52 2HB PHE 52 -3.476 -3.939 1.420 393 HD1 PHE 52 HD1 PHE 52 -5.472 -5.841 -0.983 394 HD2 PHE 52 HD2 PHE 52 -4.567 -5.236 3.131 395 HE1 PHE 52 HE1 PHE 52 -6.588 -7.962 -0.430 396 HE2 PHE 52 HE2 PHE 52 -5.681 -7.357 3.693 397 HZ PHE 52 HZ PHE 52 -6.693 -8.723 1.910 398 H THR 53 H THR 53 -7.638 -2.948 1.429 399 HA THR 53 HA THR 53 -7.091 -2.044 4.158 400 HB THR 53 HB THR 53 -9.728 -2.404 2.714 401 HG1 THR 53 HG1 THR 53 -8.258 -0.061 3.335 402 1HG2 THR 53 1HG2 THR 53 -10.059 -2.568 5.106 403 2HG2 THR 53 2HG2 THR 53 -10.686 -1.037 4.496 404 3HG2 THR 53 3HG2 THR 53 -9.145 -1.079 5.351 405 H VAL 54 H VAL 54 -7.071 -3.413 5.826 406 HA VAL 54 HA VAL 54 -7.435 -6.208 5.420 407 HB VAL 54 HB VAL 54 -7.303 -4.906 8.127 408 1HG1 VAL 54 1HG1 VAL 54 -5.998 -7.010 8.607 409 2HG1 VAL 54 2HG1 VAL 54 -6.498 -7.583 7.017 410 3HG1 VAL 54 3HG1 VAL 54 -7.711 -7.233 8.249 411 1HG2 VAL 54 1HG2 VAL 54 -5.480 -3.858 7.142 412 2HG2 VAL 54 2HG2 VAL 54 -5.119 -5.238 6.104 413 3HG2 VAL 54 3HG2 VAL 54 -4.762 -5.316 7.829 414 H THR 55 H THR 55 -8.918 -7.598 6.535 415 HA THR 55 HA THR 55 -11.334 -6.345 7.583 416 HB THR 55 HB THR 55 -11.408 -8.364 5.338 417 HG1 THR 55 HG1 THR 55 -12.147 -5.628 5.352 418 1HG2 THR 55 1HG2 THR 55 -13.874 -7.061 5.642 419 2HG2 THR 55 2HG2 THR 55 -13.397 -7.627 7.243 420 3HG2 THR 55 3HG2 THR 55 -13.504 -8.766 5.900 421 H GLU 56 H GLU 56 -10.623 -9.657 6.528 422 HA GLU 56 HA GLU 56 -9.982 -10.726 9.027 423 1HB GLU 56 1HB GLU 56 -12.153 -11.933 9.493 424 2HB GLU 56 2HB GLU 56 -12.156 -10.206 9.827 425 1HG GLU 56 1HG GLU 56 -13.173 -9.908 7.529 426 2HG GLU 56 2HG GLU 56 -13.415 -11.654 7.523 427 1H MET 1 1H MET 1 -11.337 17.362 1.713 428 2H MET 1 2H MET 1 -10.040 18.149 2.516 429 3H MET 1 3H MET 1 -10.228 16.446 2.645 430 HA MET 1 HA MET 1 -9.629 16.088 0.471 431 1HB MET 1 1HB MET 1 -10.220 19.015 0.233 432 2HB MET 1 2HB MET 1 -9.117 18.265 -0.914 433 1HG MET 1 1HG MET 1 -11.683 16.882 -0.475 434 2HG MET 1 2HG MET 1 -11.760 18.443 -1.292 435 1HE MET 1 1HE MET 1 -8.588 16.271 -1.502 436 2HE MET 1 2HE MET 1 -8.901 15.195 -2.864 437 3HE MET 1 3HE MET 1 -9.778 14.978 -1.349 438 H GLN 2 H GLN 2 -7.529 15.674 0.137 439 HA GLN 2 HA GLN 2 -5.594 16.984 1.877 440 1HB GLN 2 1HB GLN 2 -5.760 14.461 1.579 441 2HB GLN 2 2HB GLN 2 -5.077 14.699 -0.024 442 1HG GLN 2 1HG GLN 2 -3.012 15.262 0.782 443 2HG GLN 2 2HG GLN 2 -3.651 15.844 2.319 444 1HE2 GLN 2 1HE2 GLN 2 -3.564 12.820 0.457 445 2HE2 GLN 2 2HE2 GLN 2 -3.155 11.808 1.797 446 H TYR 3 H TYR 3 -4.337 18.589 1.208 447 HA TYR 3 HA TYR 3 -4.014 18.993 -1.684 448 1HB TYR 3 1HB TYR 3 -4.130 20.887 0.631 449 2HB TYR 3 2HB TYR 3 -3.308 21.363 -0.851 450 HD1 TYR 3 HD1 TYR 3 -6.510 20.823 0.756 451 HD2 TYR 3 HD2 TYR 3 -4.585 21.493 -2.978 452 HE1 TYR 3 HE1 TYR 3 -8.669 21.461 -0.237 453 HE2 TYR 3 HE2 TYR 3 -6.737 22.134 -3.981 454 HH TYR 3 HH TYR 3 -9.149 21.739 -3.567 455 H LYS 4 H LYS 4 -2.114 19.012 -2.610 456 HA LYS 4 HA LYS 4 0.272 18.626 -0.929 457 1HB LYS 4 1HB LYS 4 -0.116 17.940 -3.849 458 2HB LYS 4 2HB LYS 4 1.304 17.571 -2.879 459 1HG LYS 4 1HG LYS 4 -1.291 16.563 -1.884 460 2HG LYS 4 2HG LYS 4 -0.637 15.808 -3.339 461 1HD LYS 4 1HD LYS 4 1.146 16.214 -0.981 462 2HD LYS 4 2HD LYS 4 -0.020 14.889 -0.961 463 1HE LYS 4 1HE LYS 4 0.932 14.282 -3.265 464 2HE LYS 4 2HE LYS 4 2.270 15.351 -2.845 465 1HZ LYS 4 1HZ LYS 4 2.868 13.150 -2.236 466 2HZ LYS 4 2HZ LYS 4 1.414 12.900 -1.409 467 3HZ LYS 4 3HZ LYS 4 2.556 13.989 -0.800 468 H VAL 5 H VAL 5 1.888 20.064 -0.951 469 HA VAL 5 HA VAL 5 2.094 21.986 -3.148 470 HB VAL 5 HB VAL 5 2.101 22.892 -0.269 471 1HG1 VAL 5 1HG1 VAL 5 2.141 25.114 -1.161 472 2HG1 VAL 5 2HG1 VAL 5 1.958 24.510 -2.808 473 3HG1 VAL 5 3HG1 VAL 5 3.447 24.197 -1.915 474 1HG2 VAL 5 1HG2 VAL 5 -0.138 22.337 -0.622 475 2HG2 VAL 5 2HG2 VAL 5 -0.100 22.856 -2.306 476 3HG2 VAL 5 3HG2 VAL 5 -0.067 24.056 -1.013 477 H ILE 6 H ILE 6 4.157 22.238 -3.770 478 HA ILE 6 HA ILE 6 6.259 21.193 -2.016 479 HB ILE 6 HB ILE 6 6.521 21.940 -4.927 480 1HG1 ILE 6 1HG1 ILE 6 6.037 19.187 -3.770 481 2HG1 ILE 6 2HG1 ILE 6 4.791 20.166 -4.540 482 1HG2 ILE 6 1HG2 ILE 6 8.235 20.436 -2.975 483 2HG2 ILE 6 2HG2 ILE 6 8.653 21.835 -3.963 484 3HG2 ILE 6 3HG2 ILE 6 8.430 20.258 -4.718 485 1HD1 ILE 6 1HD1 ILE 6 6.241 18.311 -5.819 486 2HD1 ILE 6 2HD1 ILE 6 7.239 19.733 -6.114 487 3HD1 ILE 6 3HD1 ILE 6 5.547 19.726 -6.610 488 H LEU 7 H LEU 7 7.410 22.602 -0.861 489 HA LEU 7 HA LEU 7 7.873 25.290 -1.978 490 1HB LEU 7 1HB LEU 7 7.057 24.418 0.739 491 2HB LEU 7 2HB LEU 7 8.239 25.712 0.658 492 HG LEU 7 HG LEU 7 6.407 26.655 -1.091 493 1HD1 LEU 7 1HD1 LEU 7 4.204 26.193 -0.445 494 2HD1 LEU 7 2HD1 LEU 7 4.716 25.378 1.033 495 3HD1 LEU 7 3HD1 LEU 7 4.988 24.616 -0.534 496 1HD2 LEU 7 1HD2 LEU 7 5.560 28.037 0.788 497 2HD2 LEU 7 2HD2 LEU 7 7.320 27.935 0.734 498 3HD2 LEU 7 3HD2 LEU 7 6.417 26.978 1.908 499 H ASN 8 H ASN 8 9.945 25.651 -2.458 500 HA ASN 8 HA ASN 8 12.046 24.746 -0.696 501 1HB ASN 8 1HB ASN 8 13.294 23.606 -2.557 502 2HB ASN 8 2HB ASN 8 11.855 22.752 -2.009 503 1HD2 ASN 8 1HD2 ASN 8 13.531 23.751 -4.656 504 2HD2 ASN 8 2HD2 ASN 8 12.268 23.693 -5.834 505 H GLY 9 H GLY 9 13.138 26.579 -0.440 506 1HA GLY 9 1HA GLY 9 13.458 28.383 -2.738 507 2HA GLY 9 2HA GLY 9 13.680 28.821 -1.051 508 H LYS 10 H LYS 10 15.124 27.353 -3.856 509 HA LYS 10 HA LYS 10 17.737 28.088 -3.105 510 1HB LYS 10 1HB LYS 10 17.080 25.932 -1.684 511 2HB LYS 10 2HB LYS 10 17.557 25.115 -3.165 512 1HG LYS 10 1HG LYS 10 19.395 25.257 -1.566 513 2HG LYS 10 2HG LYS 10 19.753 26.139 -3.053 514 1HD LYS 10 1HD LYS 10 19.423 28.226 -2.020 515 2HD LYS 10 2HD LYS 10 18.603 27.503 -0.635 516 1HE LYS 10 1HE LYS 10 20.631 27.821 0.326 517 2HE LYS 10 2HE LYS 10 20.956 26.259 -0.424 518 1HZ LYS 10 1HZ LYS 10 22.334 27.170 -1.942 519 2HZ LYS 10 2HZ LYS 10 22.516 28.364 -0.757 520 3HZ LYS 10 3HZ LYS 10 21.463 28.616 -2.056 521 H THR 11 H THR 11 18.127 28.804 -5.123 522 HA THR 11 HA THR 11 18.559 26.855 -7.203 523 HB THR 11 HB THR 11 16.222 27.219 -7.594 524 HG1 THR 11 HG1 THR 11 17.632 28.881 -9.404 525 1HG2 THR 11 1HG2 THR 11 16.456 30.116 -8.097 526 2HG2 THR 11 2HG2 THR 11 16.405 29.597 -6.412 527 3HG2 THR 11 3HG2 THR 11 15.092 29.166 -7.508 528 H LEU 12 H LEU 12 20.190 27.460 -8.502 529 HA LEU 12 HA LEU 12 21.889 28.672 -9.389 530 1HB LEU 12 1HB LEU 12 19.712 30.695 -9.172 531 2HB LEU 12 2HB LEU 12 21.329 31.255 -9.549 532 HG LEU 12 HG LEU 12 20.076 29.056 -11.159 533 1HD1 LEU 12 1HD1 LEU 12 19.145 30.658 -12.682 534 2HD1 LEU 12 2HD1 LEU 12 19.763 32.000 -11.719 535 3HD1 LEU 12 3HD1 LEU 12 18.491 30.964 -11.074 536 1HD2 LEU 12 1HD2 LEU 12 21.690 29.542 -12.729 537 2HD2 LEU 12 2HD2 LEU 12 22.559 29.856 -11.227 538 3HD2 LEU 12 3HD2 LEU 12 21.898 31.199 -12.159 539 H LYS 13 H LYS 13 20.709 31.222 -7.243 540 HA LYS 13 HA LYS 13 22.659 30.721 -5.216 541 1HB LYS 13 1HB LYS 13 23.844 31.873 -7.275 542 2HB LYS 13 2HB LYS 13 23.120 33.328 -6.602 543 1HG LYS 13 1HG LYS 13 24.290 33.043 -4.541 544 2HG LYS 13 2HG LYS 13 24.867 31.449 -5.032 545 1HD LYS 13 1HD LYS 13 25.946 32.712 -7.015 546 2HD LYS 13 2HD LYS 13 25.703 34.151 -6.021 547 1HE LYS 13 1HE LYS 13 27.237 33.500 -4.457 548 2HE LYS 13 2HE LYS 13 26.975 31.781 -4.758 549 1HZ LYS 13 1HZ LYS 13 28.030 32.502 -7.075 550 2HZ LYS 13 2HZ LYS 13 28.967 31.992 -5.763 551 3HZ LYS 13 3HZ LYS 13 28.780 33.644 -6.077 552 H GLY 14 H GLY 14 20.645 30.800 -4.058 553 1HA GLY 14 1HA GLY 14 19.555 33.523 -3.722 554 2HA GLY 14 2HA GLY 14 18.674 32.041 -3.383 555 H GLU 15 H GLU 15 21.640 33.737 -2.376 556 HA GLU 15 HA GLU 15 21.474 32.532 0.259 557 1HB GLU 15 1HB GLU 15 23.450 34.507 -0.898 558 2HB GLU 15 2HB GLU 15 23.588 33.746 0.682 559 1HG GLU 15 1HG GLU 15 23.685 31.544 -0.428 560 2HG GLU 15 2HG GLU 15 23.652 32.361 -1.989 561 H THR 16 H THR 16 19.649 33.418 1.197 562 HA THR 16 HA THR 16 18.275 34.967 2.162 563 HB THR 16 HB THR 16 20.156 34.738 3.752 564 HG1 THR 16 HG1 THR 16 18.647 35.972 4.626 565 1HG2 THR 16 1HG2 THR 16 21.218 37.180 2.362 566 2HG2 THR 16 2HG2 THR 16 22.023 35.629 2.596 567 3HG2 THR 16 3HG2 THR 16 21.709 36.677 3.980 568 H THR 17 H THR 17 18.695 35.591 -0.543 569 HA THR 17 HA THR 17 19.111 38.476 -0.647 570 HB THR 17 HB THR 17 18.347 36.775 -2.999 571 HG1 THR 17 HG1 THR 17 20.247 35.871 -3.058 572 1HG2 THR 17 1HG2 THR 17 19.052 38.457 -4.267 573 2HG2 THR 17 2HG2 THR 17 20.487 38.725 -3.276 574 3HG2 THR 17 3HG2 THR 17 18.942 39.433 -2.802 575 H THR 18 H THR 18 16.591 36.130 -1.578 576 HA THR 18 HA THR 18 14.569 38.136 -0.933 577 HB THR 18 HB THR 18 13.368 37.805 -3.019 578 HG1 THR 18 HG1 THR 18 14.003 36.403 -4.520 579 1HG2 THR 18 1HG2 THR 18 14.873 38.822 -4.624 580 2HG2 THR 18 2HG2 THR 18 16.253 38.433 -3.597 581 3HG2 THR 18 3HG2 THR 18 15.035 39.581 -3.041 582 H GLU 19 H GLU 19 14.711 34.911 -2.462 583 HA GLU 19 HA GLU 19 13.668 32.949 -1.972 584 1HB GLU 19 1HB GLU 19 13.641 34.069 0.837 585 2HB GLU 19 2HB GLU 19 13.348 32.390 0.403 586 1HG GLU 19 1HG GLU 19 15.872 33.495 -0.597 587 2HG GLU 19 2HG GLU 19 15.743 33.399 1.159 588 H ALA 20 H ALA 20 11.595 32.024 -0.845 589 HA ALA 20 HA ALA 20 9.434 33.751 -0.307 590 1HB ALA 20 1HB ALA 20 8.104 33.395 -2.346 591 2HB ALA 20 2HB ALA 20 9.500 32.622 -3.097 592 3HB ALA 20 3HB ALA 20 9.571 34.325 -2.648 593 H VAL 21 H VAL 21 9.742 30.747 -2.175 594 HA VAL 21 HA VAL 21 7.742 29.485 -0.535 595 HB VAL 21 HB VAL 21 8.232 27.434 -1.913 596 1HG1 VAL 21 1HG1 VAL 21 6.371 28.780 -2.499 597 2HG1 VAL 21 2HG1 VAL 21 7.227 28.411 -3.997 598 3HG1 VAL 21 3HG1 VAL 21 7.402 29.998 -3.248 599 1HG2 VAL 21 1HG2 VAL 21 10.558 28.059 -2.521 600 2HG2 VAL 21 2HG2 VAL 21 9.904 29.320 -3.570 601 3HG2 VAL 21 3HG2 VAL 21 9.557 27.624 -3.906 602 H ASP 22 H ASP 22 9.060 29.870 1.407 603 HA ASP 22 HA ASP 22 11.169 27.866 1.824 604 1HB ASP 22 1HB ASP 22 11.690 30.229 2.383 605 2HB ASP 22 2HB ASP 22 10.380 30.217 3.558 606 H ALA 23 H ALA 23 11.114 26.459 3.520 607 HA ALA 23 HA ALA 23 8.737 25.193 4.098 608 1HB ALA 23 1HB ALA 23 11.418 24.814 4.615 609 2HB ALA 23 2HB ALA 23 10.107 23.715 5.044 610 3HB ALA 23 3HB ALA 23 10.690 24.895 6.221 611 H ALA 24 H ALA 24 10.448 27.647 5.993 612 HA ALA 24 HA ALA 24 8.676 27.626 8.208 613 1HB ALA 24 1HB ALA 24 11.003 28.510 8.250 614 2HB ALA 24 2HB ALA 24 9.806 29.614 8.927 615 3HB ALA 24 3HB ALA 24 10.447 29.892 7.308 616 H THR 25 H THR 25 8.687 29.285 5.131 617 HA THR 25 HA THR 25 6.831 31.318 5.715 618 HB THR 25 HB THR 25 7.468 29.916 3.109 619 HG1 THR 25 HG1 THR 25 8.847 31.606 2.789 620 1HG2 THR 25 1HG2 THR 25 5.496 31.970 3.658 621 2HG2 THR 25 2HG2 THR 25 5.757 30.998 2.209 622 3HG2 THR 25 3HG2 THR 25 6.698 32.468 2.467 623 H PHE 26 H PHE 26 6.435 27.993 4.654 624 HA PHE 26 HA PHE 26 3.641 28.121 4.182 625 1HB PHE 26 1HB PHE 26 5.318 26.305 3.440 626 2HB PHE 26 2HB PHE 26 5.074 25.620 5.044 627 HD1 PHE 26 HD1 PHE 26 3.235 26.699 2.003 628 HD2 PHE 26 HD2 PHE 26 3.282 24.204 5.450 629 HE1 PHE 26 HE1 PHE 26 1.204 25.565 1.203 630 HE2 PHE 26 HE2 PHE 26 1.252 23.062 4.655 631 HZ PHE 26 HZ PHE 26 0.211 23.743 2.529 632 H GLU 27 H GLU 27 5.565 27.110 6.969 633 HA GLU 27 HA GLU 27 3.528 26.245 8.638 634 1HB GLU 27 1HB GLU 27 5.901 25.902 9.107 635 2HB GLU 27 2HB GLU 27 6.111 27.625 9.381 636 1HG GLU 27 1HG GLU 27 4.044 26.841 11.092 637 2HG GLU 27 2HG GLU 27 5.263 25.572 11.199 638 H LYS 28 H LYS 28 4.997 29.500 8.568 639 HA LYS 28 HA LYS 28 3.252 30.581 10.495 640 1HB LYS 28 1HB LYS 28 5.512 31.466 9.814 641 2HB LYS 28 2HB LYS 28 4.735 32.140 8.388 642 1HG LYS 28 1HG LYS 28 3.198 33.382 9.935 643 2HG LYS 28 2HG LYS 28 4.228 32.847 11.265 644 1HD LYS 28 1HD LYS 28 5.290 34.332 8.872 645 2HD LYS 28 2HD LYS 28 4.712 35.150 10.325 646 1HE LYS 28 1HE LYS 28 6.339 33.620 11.590 647 2HE LYS 28 2HE LYS 28 7.060 33.308 10.012 648 1HZ LYS 28 1HZ LYS 28 8.230 35.086 11.074 649 2HZ LYS 28 2HZ LYS 28 6.800 35.944 11.353 650 3HZ LYS 28 3HZ LYS 28 7.363 35.731 9.772 651 H VAL 29 H VAL 29 3.192 30.906 6.918 652 HA VAL 29 HA VAL 29 0.950 32.601 6.852 653 HB VAL 29 HB VAL 29 1.898 30.686 4.717 654 1HG1 VAL 29 1HG1 VAL 29 -0.400 31.508 4.354 655 2HG1 VAL 29 2HG1 VAL 29 0.730 32.121 3.146 656 3HG1 VAL 29 3HG1 VAL 29 0.194 33.166 4.462 657 1HG2 VAL 29 1HG2 VAL 29 3.379 32.658 5.781 658 2HG2 VAL 29 2HG2 VAL 29 2.500 33.570 4.554 659 3HG2 VAL 29 3HG2 VAL 29 3.475 32.176 4.086 660 H VAL 30 H VAL 30 1.202 29.077 6.564 661 HA VAL 30 HA VAL 30 -1.557 28.692 6.035 662 HB VAL 30 HB VAL 30 0.454 26.693 7.076 663 1HG1 VAL 30 1HG1 VAL 30 -2.191 26.238 5.695 664 2HG1 VAL 30 2HG1 VAL 30 -1.863 25.957 7.405 665 3HG1 VAL 30 3HG1 VAL 30 -1.041 24.992 6.180 666 1HG2 VAL 30 1HG2 VAL 30 0.887 27.931 4.857 667 2HG2 VAL 30 2HG2 VAL 30 -0.445 26.960 4.232 668 3HG2 VAL 30 3HG2 VAL 30 0.994 26.171 4.875 669 H LYS 31 H LYS 31 0.342 28.361 9.055 670 HA LYS 31 HA LYS 31 -1.823 27.484 10.619 671 1HB LYS 31 1HB LYS 31 0.523 27.266 11.314 672 2HB LYS 31 2HB LYS 31 0.653 29.013 11.444 673 1HG LYS 31 1HG LYS 31 -1.292 28.799 13.131 674 2HG LYS 31 2HG LYS 31 -0.825 27.098 13.195 675 1HD LYS 31 1HD LYS 31 1.465 27.765 13.788 676 2HD LYS 31 2HD LYS 31 0.970 29.458 13.756 677 1HE LYS 31 1HE LYS 31 -0.677 28.965 15.536 678 2HE LYS 31 2HE LYS 31 -0.066 27.313 15.604 679 1HZ LYS 31 1HZ LYS 31 1.042 28.436 17.303 680 2HZ LYS 31 2HZ LYS 31 1.316 29.815 16.361 681 3HZ LYS 31 3HZ LYS 31 2.177 28.393 16.048 682 H GLN 32 H GLN 32 -0.502 30.713 10.006 683 HA GLN 32 HA GLN 32 -2.257 32.098 11.725 684 1HB GLN 32 1HB GLN 32 -0.105 32.976 10.756 685 2HB GLN 32 2HB GLN 32 -0.959 33.199 9.235 686 1HG GLN 32 1HG GLN 32 -2.366 34.847 10.147 687 2HG GLN 32 2HG GLN 32 -1.895 34.446 11.797 688 1HE2 GLN 32 1HE2 GLN 32 -0.248 35.504 12.697 689 2HE2 GLN 32 2HE2 GLN 32 0.789 36.616 11.874 690 H PHE 33 H PHE 33 -2.469 31.316 8.252 691 HA PHE 33 HA PHE 33 -4.833 32.789 7.805 692 1HB PHE 33 1HB PHE 33 -3.621 32.441 5.885 693 2HB PHE 33 2HB PHE 33 -3.201 30.795 6.316 694 HD1 PHE 33 HD1 PHE 33 -6.413 32.625 5.643 695 HD2 PHE 33 HD2 PHE 33 -3.906 29.285 4.834 696 HE1 PHE 33 HE1 PHE 33 -8.086 31.754 4.056 697 HE2 PHE 33 HE2 PHE 33 -5.574 28.401 3.260 698 HZ PHE 33 HZ PHE 33 -7.668 29.630 2.870 699 H PHE 34 H PHE 34 -4.312 29.320 8.424 700 HA PHE 34 HA PHE 34 -7.127 28.804 8.288 701 1HB PHE 34 1HB PHE 34 -4.743 27.105 8.909 702 2HB PHE 34 2HB PHE 34 -6.378 26.499 9.179 703 HD1 PHE 34 HD1 PHE 34 -3.818 26.433 6.906 704 HD2 PHE 34 HD2 PHE 34 -7.997 27.208 7.083 705 HE1 PHE 34 HE1 PHE 34 -4.015 25.922 4.504 706 HE2 PHE 34 HE2 PHE 34 -8.203 26.692 4.690 707 HZ PHE 34 HZ PHE 34 -6.215 26.054 3.394 708 H ASN 35 H ASN 35 -4.872 29.448 10.915 709 HA ASN 35 HA ASN 35 -6.381 28.510 13.061 710 1HB ASN 35 1HB ASN 35 -4.397 30.730 12.780 711 2HB ASN 35 2HB ASN 35 -5.299 30.577 14.281 712 1HD2 ASN 35 1HD2 ASN 35 -4.370 27.789 12.351 713 2HD2 ASN 35 2HD2 ASN 35 -3.198 27.185 13.468 714 H ASP 36 H ASP 36 -6.859 31.299 11.065 715 HA ASP 36 HA ASP 36 -8.596 32.794 12.680 716 1HB ASP 36 1HB ASP 36 -8.477 32.597 9.666 717 2HB ASP 36 2HB ASP 36 -9.335 33.843 10.567 718 H ASN 37 H ASN 37 -9.094 29.792 11.156 719 HA ASN 37 HA ASN 37 -12.017 30.124 11.255 720 1HB ASN 37 1HB ASN 37 -12.249 28.293 9.749 721 2HB ASN 37 2HB ASN 37 -10.985 29.332 9.102 722 1HD2 ASN 37 1HD2 ASN 37 -9.344 28.266 8.307 723 2HD2 ASN 37 2HD2 ASN 37 -8.743 26.745 8.862 724 H GLY 38 H GLY 38 -9.439 28.680 12.975 725 1HA GLY 38 1HA GLY 38 -10.202 27.918 15.225 726 2HA GLY 38 2HA GLY 38 -11.367 26.924 14.370 727 H VAL 39 H VAL 39 -8.250 27.146 12.915 728 HA VAL 39 HA VAL 39 -7.769 24.348 13.550 729 HB VAL 39 HB VAL 39 -6.112 26.150 11.783 730 1HG1 VAL 39 1HG1 VAL 39 -4.909 24.183 12.412 731 2HG1 VAL 39 2HG1 VAL 39 -5.462 23.968 10.752 732 3HG1 VAL 39 3HG1 VAL 39 -6.304 23.157 12.074 733 1HG2 VAL 39 1HG2 VAL 39 -8.181 26.225 10.735 734 2HG2 VAL 39 2HG2 VAL 39 -8.595 24.578 11.215 735 3HG2 VAL 39 3HG2 VAL 39 -7.396 24.854 9.951 736 H ASP 40 H ASP 40 -5.977 23.557 14.633 737 HA ASP 40 HA ASP 40 -3.935 25.354 15.600 738 1HB ASP 40 1HB ASP 40 -6.048 24.213 17.396 739 2HB ASP 40 2HB ASP 40 -4.427 24.508 18.018 740 H GLY 41 H GLY 41 -2.595 23.994 17.362 741 1HA GLY 41 1HA GLY 41 -1.886 21.711 17.920 742 2HA GLY 41 2HA GLY 41 -2.271 21.267 16.264 743 H GLU 42 H GLU 42 -0.264 20.528 15.667 744 HA GLU 42 HA GLU 42 1.726 22.585 15.174 745 1HB GLU 42 1HB GLU 42 2.375 20.109 16.782 746 2HB GLU 42 2HB GLU 42 3.551 21.270 16.183 747 1HG GLU 42 1HG GLU 42 2.263 23.013 17.520 748 2HG GLU 42 2HG GLU 42 1.471 21.648 18.306 749 H TRP 43 H TRP 43 3.408 21.897 13.706 750 HA TRP 43 HA TRP 43 2.393 20.215 11.635 751 1HB TRP 43 1HB TRP 43 5.033 21.632 11.991 752 2HB TRP 43 2HB TRP 43 4.620 20.700 10.553 753 HD1 TRP 43 HD1 TRP 43 3.989 24.031 12.237 754 HE1 TRP 43 HE1 TRP 43 2.601 25.525 10.667 755 HE3 TRP 43 HE3 TRP 43 2.774 20.566 8.680 756 HZ2 TRP 43 HZ2 TRP 43 1.181 25.269 8.243 757 HZ3 TRP 43 HZ3 TRP 43 1.396 21.272 6.767 758 HH2 TRP 43 HH2 TRP 43 0.616 23.576 6.555 759 H THR 44 H THR 44 2.558 18.135 11.439 760 HA THR 44 HA THR 44 4.696 16.737 12.898 761 HB THR 44 HB THR 44 3.229 14.806 13.005 762 HG1 THR 44 HG1 THR 44 1.286 14.756 12.039 763 1HG2 THR 44 1HG2 THR 44 1.507 15.574 14.462 764 2HG2 THR 44 2HG2 THR 44 1.619 17.211 13.814 765 3HG2 THR 44 3HG2 THR 44 2.953 16.541 14.753 766 H TYR 45 H TYR 45 5.928 15.287 11.865 767 HA TYR 45 HA TYR 45 6.164 15.485 9.029 768 1HB TYR 45 1HB TYR 45 7.564 13.885 11.148 769 2HB TYR 45 2HB TYR 45 7.842 13.532 9.444 770 HD1 TYR 45 HD1 TYR 45 8.506 15.820 12.180 771 HD2 TYR 45 HD2 TYR 45 8.862 15.251 7.979 772 HE1 TYR 45 HE1 TYR 45 10.168 17.630 12.081 773 HE2 TYR 45 HE2 TYR 45 10.525 17.059 7.868 774 HH TYR 45 HH TYR 45 12.189 18.133 9.517 775 H ASP 46 H ASP 46 5.773 13.919 7.453 776 HA ASP 46 HA ASP 46 3.512 12.248 7.936 777 1HB ASP 46 1HB ASP 46 5.297 12.746 5.573 778 2HB ASP 46 2HB ASP 46 4.130 11.429 5.538 779 H ASP 47 H ASP 47 3.423 9.933 7.561 780 HA ASP 47 HA ASP 47 5.405 8.522 9.006 781 1HB ASP 47 1HB ASP 47 3.049 7.649 7.346 782 2HB ASP 47 2HB ASP 47 4.133 6.480 8.094 783 H ALA 48 H ALA 48 7.180 7.451 8.369 784 HA ALA 48 HA ALA 48 8.382 7.912 5.907 785 1HB ALA 48 1HB ALA 48 10.062 6.357 6.568 786 2HB ALA 48 2HB ALA 48 8.965 5.565 7.698 787 3HB ALA 48 3HB ALA 48 9.523 7.208 8.015 788 H THR 49 H THR 49 8.588 6.788 4.031 789 HA THR 49 HA THR 49 7.129 4.268 3.733 790 HB THR 49 HB THR 49 6.846 6.586 1.811 791 HG1 THR 49 HG1 THR 49 5.083 7.114 2.834 792 1HG2 THR 49 1HG2 THR 49 5.356 3.975 1.924 793 2HG2 THR 49 2HG2 THR 49 6.592 4.403 0.740 794 3HG2 THR 49 3HG2 THR 49 5.073 5.297 0.793 795 H LYS 50 H LYS 50 7.771 3.037 1.846 796 HA LYS 50 HA LYS 50 10.490 3.741 0.951 797 1HB LYS 50 1HB LYS 50 9.357 0.951 1.075 798 2HB LYS 50 2HB LYS 50 11.036 1.425 0.872 799 1HG LYS 50 1HG LYS 50 10.641 2.550 3.225 800 2HG LYS 50 2HG LYS 50 9.372 1.326 3.328 801 1HD LYS 50 1HD LYS 50 11.074 -0.399 2.773 802 2HD LYS 50 2HD LYS 50 12.311 0.855 2.838 803 1HE LYS 50 1HE LYS 50 11.313 1.316 5.205 804 2HE LYS 50 2HE LYS 50 10.684 -0.325 5.049 805 1HZ LYS 50 1HZ LYS 50 12.786 -0.407 6.146 806 2HZ LYS 50 2HZ LYS 50 13.531 0.510 4.936 807 3HZ LYS 50 3HZ LYS 50 12.990 -1.056 4.596 808 H THR 51 H THR 51 11.070 3.374 -1.184 809 HA THR 51 HA THR 51 8.990 2.553 -3.062 810 HB THR 51 HB THR 51 10.383 5.237 -3.056 811 HG1 THR 51 HG1 THR 51 8.194 4.735 -2.100 812 1HG2 THR 51 1HG2 THR 51 10.535 5.167 -5.277 813 2HG2 THR 51 2HG2 THR 51 8.776 5.286 -5.270 814 3HG2 THR 51 3HG2 THR 51 9.552 3.707 -5.392 815 H PHE 52 H PHE 52 9.778 1.251 -4.602 816 HA PHE 52 HA PHE 52 12.601 0.653 -4.621 817 1HB PHE 52 1HB PHE 52 10.873 -1.125 -4.749 818 2HB PHE 52 2HB PHE 52 10.379 -0.501 -6.318 819 HD1 PHE 52 HD1 PHE 52 12.969 -2.305 -4.474 820 HD2 PHE 52 HD2 PHE 52 11.734 -0.856 -8.279 821 HE1 PHE 52 HE1 PHE 52 14.652 -3.733 -5.560 822 HE2 PHE 52 HE2 PHE 52 13.414 -2.281 -9.373 823 HZ PHE 52 HZ PHE 52 14.877 -3.724 -8.012 824 H THR 53 H THR 53 14.026 1.674 -5.858 825 HA THR 53 HA THR 53 13.093 3.111 -8.231 826 HB THR 53 HB THR 53 15.776 3.190 -6.830 827 HG1 THR 53 HG1 THR 53 13.624 5.036 -6.816 828 1HG2 THR 53 1HG2 THR 53 16.031 3.837 -9.147 829 2HG2 THR 53 2HG2 THR 53 16.168 5.245 -8.094 830 3HG2 THR 53 3HG2 THR 53 14.682 4.962 -9.001 831 H VAL 54 H VAL 54 13.414 2.337 -10.220 832 HA VAL 54 HA VAL 54 14.648 -0.199 -10.615 833 HB VAL 54 HB VAL 54 13.991 1.715 -12.841 834 1HG1 VAL 54 1HG1 VAL 54 13.379 -0.463 -13.959 835 2HG1 VAL 54 2HG1 VAL 54 14.114 -1.278 -12.579 836 3HG1 VAL 54 3HG1 VAL 54 15.091 -0.231 -13.608 837 1HG2 VAL 54 1HG2 VAL 54 11.984 1.814 -11.666 838 2HG2 VAL 54 2HG2 VAL 54 12.114 0.146 -11.110 839 3HG2 VAL 54 3HG2 VAL 54 11.718 0.485 -12.795 840 H THR 55 H THR 55 16.435 -0.679 -12.011 841 HA THR 55 HA THR 55 18.291 1.505 -12.542 842 HB THR 55 HB THR 55 19.090 -0.945 -10.966 843 HG1 THR 55 HG1 THR 55 18.932 1.770 -10.167 844 1HG2 THR 55 1HG2 THR 55 21.015 1.084 -10.765 845 2HG2 THR 55 2HG2 THR 55 20.664 0.889 -12.482 846 3HG2 THR 55 3HG2 THR 55 21.178 -0.499 -11.523 847 H GLU 56 H GLU 56 18.698 -2.019 -12.516 848 HA GLU 56 HA GLU 56 18.303 -2.471 -15.243 849 1HB GLU 56 1HB GLU 56 20.721 -2.751 -15.933 850 2HB GLU 56 2HB GLU 56 20.163 -1.091 -15.763 851 1HG GLU 56 1HG GLU 56 21.143 -1.146 -13.434 852 2HG GLU 56 2HG GLU 56 21.918 -2.659 -13.902 853 1H MET 1 1H MET 1 5.807 -0.839 9.031 854 2H MET 1 2H MET 1 4.804 -1.514 7.814 855 3H MET 1 3H MET 1 4.346 -0.056 8.594 856 HA MET 1 HA MET 1 6.003 1.152 7.588 857 1HB MET 1 1HB MET 1 7.138 -1.570 7.070 858 2HB MET 1 2HB MET 1 7.591 -0.238 6.016 859 1HG MET 1 1HG MET 1 7.789 0.266 8.914 860 2HG MET 1 2HG MET 1 8.929 -0.896 8.237 861 1HE MET 1 1HE MET 1 7.443 1.910 6.058 862 2HE MET 1 2HE MET 1 8.526 3.276 6.330 863 3HE MET 1 3HE MET 1 7.431 2.749 7.610 864 H GLN 2 H GLN 2 5.451 2.145 5.742 865 HA GLN 2 HA GLN 2 3.501 0.826 4.025 866 1HB GLN 2 1HB GLN 2 3.216 3.179 4.944 867 2HB GLN 2 2HB GLN 2 4.477 3.673 3.821 868 1HG GLN 2 1HG GLN 2 3.148 3.388 1.983 869 2HG GLN 2 2HG GLN 2 2.135 2.176 2.766 870 1HE2 GLN 2 1HE2 GLN 2 3.041 5.578 3.254 871 2HE2 GLN 2 2HE2 GLN 2 1.437 6.135 3.573 872 H TYR 3 H TYR 3 4.037 -0.109 2.170 873 HA TYR 3 HA TYR 3 6.624 0.581 0.959 874 1HB TYR 3 1HB TYR 3 5.037 -1.953 1.052 875 2HB TYR 3 2HB TYR 3 6.189 -1.690 -0.251 876 HD1 TYR 3 HD1 TYR 3 5.768 -2.505 3.254 877 HD2 TYR 3 HD2 TYR 3 8.598 -1.389 0.280 878 HE1 TYR 3 HE1 TYR 3 7.596 -3.260 4.717 879 HE2 TYR 3 HE2 TYR 3 10.432 -2.142 1.732 880 HH TYR 3 HH TYR 3 10.824 -2.485 4.174 881 H LYS 4 H LYS 4 6.777 1.329 -1.012 882 HA LYS 4 HA LYS 4 4.306 1.684 -2.577 883 1HB LYS 4 1HB LYS 4 6.915 3.202 -2.784 884 2HB LYS 4 2HB LYS 4 5.442 3.549 -3.681 885 1HG LYS 4 1HG LYS 4 5.237 3.515 -0.731 886 2HG LYS 4 2HG LYS 4 6.125 4.852 -1.466 887 1HD LYS 4 1HD LYS 4 3.458 4.098 -2.570 888 2HD LYS 4 2HD LYS 4 3.535 5.017 -1.065 889 1HE LYS 4 1HE LYS 4 5.124 6.580 -2.349 890 2HE LYS 4 2HE LYS 4 4.503 5.790 -3.798 891 1HZ LYS 4 1HZ LYS 4 3.224 7.740 -3.401 892 2HZ LYS 4 2HZ LYS 4 2.943 7.315 -1.788 893 3HZ LYS 4 3HZ LYS 4 2.242 6.411 -3.032 894 H VAL 5 H VAL 5 4.089 0.770 -4.527 895 HA VAL 5 HA VAL 5 6.457 -0.186 -5.956 896 HB VAL 5 HB VAL 5 4.080 -1.989 -5.495 897 1HG1 VAL 5 1HG1 VAL 5 5.427 -3.697 -6.507 898 2HG1 VAL 5 2HG1 VAL 5 6.816 -2.616 -6.594 899 3HG1 VAL 5 3HG1 VAL 5 5.392 -2.302 -7.586 900 1HG2 VAL 5 1HG2 VAL 5 5.074 -1.877 -3.378 901 2HG2 VAL 5 2HG2 VAL 5 6.704 -1.800 -4.047 902 3HG2 VAL 5 3HG2 VAL 5 5.793 -3.308 -4.117 903 H ILE 6 H ILE 6 6.335 0.283 -8.069 904 HA ILE 6 HA ILE 6 3.748 1.143 -9.141 905 HB ILE 6 HB ILE 6 6.459 1.516 -10.408 906 1HG1 ILE 6 1HG1 ILE 6 4.920 3.512 -8.736 907 2HG1 ILE 6 2HG1 ILE 6 6.295 2.585 -8.145 908 1HG2 ILE 6 1HG2 ILE 6 3.720 2.619 -10.932 909 2HG2 ILE 6 2HG2 ILE 6 4.815 1.799 -12.046 910 3HG2 ILE 6 3HG2 ILE 6 5.175 3.437 -11.502 911 1HD1 ILE 6 1HD1 ILE 6 6.498 5.050 -9.154 912 2HD1 ILE 6 2HD1 ILE 6 6.727 4.110 -10.629 913 3HD1 ILE 6 3HD1 ILE 6 7.792 3.856 -9.246 914 H LEU 7 H LEU 7 2.636 -0.245 -10.358 915 HA LEU 7 HA LEU 7 4.129 -2.204 -11.978 916 1HB LEU 7 1HB LEU 7 1.764 -2.530 -10.216 917 2HB LEU 7 2HB LEU 7 1.725 -3.398 -11.740 918 HG LEU 7 HG LEU 7 4.190 -4.095 -10.879 919 1HD1 LEU 7 1HD1 LEU 7 4.287 -4.426 -8.559 920 2HD1 LEU 7 2HD1 LEU 7 2.575 -4.055 -8.349 921 3HD1 LEU 7 3HD1 LEU 7 3.711 -2.770 -8.761 922 1HD2 LEU 7 1HD2 LEU 7 3.139 -6.194 -10.071 923 2HD2 LEU 7 2HD2 LEU 7 2.531 -5.665 -11.640 924 3HD2 LEU 7 3HD2 LEU 7 1.563 -5.409 -10.189 925 H ASN 8 H ASN 8 3.906 -1.881 -14.100 926 HA ASN 8 HA ASN 8 1.355 -1.167 -15.239 927 1HB ASN 8 1HB ASN 8 2.279 0.831 -16.438 928 2HB ASN 8 2HB ASN 8 2.107 1.055 -14.701 929 1HD2 ASN 8 1HD2 ASN 8 4.127 1.441 -17.286 930 2HD2 ASN 8 2HD2 ASN 8 5.626 1.614 -16.447 931 H GLY 9 H GLY 9 1.212 -2.596 -16.852 932 1HA GLY 9 1HA GLY 9 3.553 -3.697 -18.110 933 2HA GLY 9 2HA GLY 9 1.883 -4.080 -18.499 934 H LYS 10 H LYS 10 4.674 -2.539 -19.532 935 HA LYS 10 HA LYS 10 3.203 -1.292 -21.748 936 1HB LYS 10 1HB LYS 10 3.856 0.483 -20.169 937 2HB LYS 10 2HB LYS 10 5.533 -0.035 -20.284 938 1HG LYS 10 1HG LYS 10 5.378 0.452 -22.758 939 2HG LYS 10 2HG LYS 10 3.835 1.237 -22.411 940 1HD LYS 10 1HD LYS 10 5.209 3.048 -22.235 941 2HD LYS 10 2HD LYS 10 5.307 2.463 -20.573 942 1HE LYS 10 1HE LYS 10 7.420 1.540 -20.893 943 2HE LYS 10 2HE LYS 10 7.245 1.508 -22.647 944 1HZ LYS 10 1HZ LYS 10 7.531 3.962 -20.998 945 2HZ LYS 10 2HZ LYS 10 7.409 3.908 -22.684 946 3HZ LYS 10 3HZ LYS 10 8.763 3.250 -21.914 947 H THR 11 H THR 11 4.322 -1.214 -23.733 948 HA THR 11 HA THR 11 6.812 -2.779 -23.846 949 HB THR 11 HB THR 11 5.923 -3.703 -26.047 950 HG1 THR 11 HG1 THR 11 4.092 -2.910 -26.649 951 1HG2 THR 11 1HG2 THR 11 5.174 -5.572 -25.054 952 2HG2 THR 11 2HG2 THR 11 4.049 -4.701 -24.012 953 3HG2 THR 11 3HG2 THR 11 5.762 -4.771 -23.596 954 H LEU 12 H LEU 12 8.179 -2.332 -25.667 955 HA LEU 12 HA LEU 12 7.573 -0.220 -27.489 956 1HB LEU 12 1HB LEU 12 9.534 1.211 -26.622 957 2HB LEU 12 2HB LEU 12 7.983 1.329 -25.815 958 HG LEU 12 HG LEU 12 8.826 -0.240 -24.069 959 1HD1 LEU 12 1HD1 LEU 12 10.535 -1.396 -25.292 960 2HD1 LEU 12 2HD1 LEU 12 11.286 -0.551 -23.939 961 3HD1 LEU 12 3HD1 LEU 12 11.416 0.107 -25.570 962 1HD2 LEU 12 1HD2 LEU 12 8.920 2.297 -23.946 963 2HD2 LEU 12 2HD2 LEU 12 10.632 2.147 -24.338 964 3HD2 LEU 12 3HD2 LEU 12 9.997 1.410 -22.867 965 H LYS 13 H LYS 13 8.419 -2.848 -27.834 966 HA LYS 13 HA LYS 13 10.747 -2.427 -29.457 967 1HB LYS 13 1HB LYS 13 10.962 -3.786 -26.835 968 2HB LYS 13 2HB LYS 13 11.757 -4.587 -28.184 969 1HG LYS 13 1HG LYS 13 12.658 -2.105 -28.577 970 2HG LYS 13 2HG LYS 13 12.407 -2.043 -26.833 971 1HD LYS 13 1HD LYS 13 14.103 -3.472 -26.411 972 2HD LYS 13 2HD LYS 13 13.754 -4.465 -27.827 973 1HE LYS 13 1HE LYS 13 14.954 -1.729 -28.096 974 2HE LYS 13 2HE LYS 13 15.959 -3.141 -27.771 975 1HZ LYS 13 1HZ LYS 13 14.441 -2.452 -30.180 976 2HZ LYS 13 2HZ LYS 13 14.632 -4.090 -29.800 977 3HZ LYS 13 3HZ LYS 13 15.992 -3.115 -30.035 978 H GLY 14 H GLY 14 11.471 -4.683 -30.384 979 1HA GLY 14 1HA GLY 14 9.296 -5.728 -31.809 980 2HA GLY 14 2HA GLY 14 10.887 -6.466 -31.705 981 H GLU 15 H GLU 15 10.982 -6.994 -28.960 982 HA GLU 15 HA GLU 15 9.480 -9.413 -28.857 983 1HB GLU 15 1HB GLU 15 11.261 -7.982 -26.897 984 2HB GLU 15 2HB GLU 15 10.394 -9.444 -26.449 985 1HG GLU 15 1HG GLU 15 11.598 -10.763 -27.945 986 2HG GLU 15 2HG GLU 15 12.154 -9.368 -28.869 987 H THR 16 H THR 16 7.754 -9.974 -27.540 988 HA THR 16 HA THR 16 6.293 -7.705 -26.354 989 HB THR 16 HB THR 16 4.974 -10.241 -27.284 990 HG1 THR 16 HG1 THR 16 5.232 -9.676 -29.272 991 1HG2 THR 16 1HG2 THR 16 3.025 -9.184 -27.022 992 2HG2 THR 16 2HG2 THR 16 3.655 -7.654 -27.635 993 3HG2 THR 16 3HG2 THR 16 3.944 -8.118 -25.958 994 H THR 17 H THR 17 7.097 -11.128 -26.021 995 HA THR 17 HA THR 17 7.089 -12.555 -24.252 996 HB THR 17 HB THR 17 7.965 -11.724 -22.190 997 HG1 THR 17 HG1 THR 17 7.657 -9.739 -21.483 998 1HG2 THR 17 1HG2 THR 17 9.124 -10.956 -24.653 999 2HG2 THR 17 2HG2 THR 17 9.917 -11.285 -23.113 1000 3HG2 THR 17 3HG2 THR 17 9.378 -9.650 -23.495 1001 H THR 18 H THR 18 6.189 -12.550 -21.717 1002 HA THR 18 HA THR 18 3.369 -11.727 -21.867 1003 HB THR 18 HB THR 18 3.256 -14.024 -22.405 1004 HG1 THR 18 HG1 THR 18 1.743 -13.818 -20.902 1005 1HG2 THR 18 1HG2 THR 18 5.129 -15.194 -22.026 1006 2HG2 THR 18 2HG2 THR 18 4.323 -15.607 -20.513 1007 3HG2 THR 18 3HG2 THR 18 5.515 -14.308 -20.552 1008 H GLU 19 H GLU 19 2.400 -11.170 -19.931 1009 HA GLU 19 HA GLU 19 2.263 -10.357 -17.813 1010 1HB GLU 19 1HB GLU 19 4.370 -12.465 -17.309 1011 2HB GLU 19 2HB GLU 19 3.540 -11.568 -16.044 1012 1HG GLU 19 1HG GLU 19 1.411 -12.504 -16.759 1013 2HG GLU 19 2HG GLU 19 2.223 -13.380 -18.056 1014 H ALA 20 H ALA 20 2.918 -8.339 -17.510 1015 HA ALA 20 HA ALA 20 5.744 -7.825 -16.996 1016 1HB ALA 20 1HB ALA 20 4.164 -6.317 -19.075 1017 2HB ALA 20 2HB ALA 20 5.531 -7.391 -19.368 1018 3HB ALA 20 3HB ALA 20 5.772 -5.876 -18.498 1019 H VAL 21 H VAL 21 4.857 -7.643 -14.855 1020 HA VAL 21 HA VAL 21 3.934 -6.599 -13.039 1021 HB VAL 21 HB VAL 21 4.414 -4.109 -12.930 1022 1HG1 VAL 21 1HG1 VAL 21 5.955 -5.532 -11.893 1023 2HG1 VAL 21 2HG1 VAL 21 6.935 -4.515 -12.950 1024 3HG1 VAL 21 3HG1 VAL 21 6.540 -6.166 -13.432 1025 1HG2 VAL 21 1HG2 VAL 21 4.359 -3.698 -15.365 1026 2HG2 VAL 21 2HG2 VAL 21 5.835 -4.649 -15.536 1027 3HG2 VAL 21 3HG2 VAL 21 5.857 -3.147 -14.613 1028 H ASP 22 H ASP 22 1.795 -7.228 -13.736 1029 HA ASP 22 HA ASP 22 0.129 -5.052 -14.793 1030 1HB ASP 22 1HB ASP 22 0.020 -7.272 -15.906 1031 2HB ASP 22 2HB ASP 22 -0.559 -7.970 -14.397 1032 H ALA 23 H ALA 23 -1.702 -4.368 -13.798 1033 HA ALA 23 HA ALA 23 -1.672 -3.987 -11.068 1034 1HB ALA 23 1HB ALA 23 -3.200 -3.172 -13.216 1035 2HB ALA 23 2HB ALA 23 -3.378 -2.637 -11.543 1036 3HB ALA 23 3HB ALA 23 -4.361 -3.970 -12.154 1037 H ALA 24 H ALA 24 -3.415 -6.448 -12.932 1038 HA ALA 24 HA ALA 24 -4.772 -7.606 -10.728 1039 1HB ALA 24 1HB ALA 24 -5.429 -7.864 -13.121 1040 2HB ALA 24 2HB ALA 24 -5.359 -9.380 -12.223 1041 3HB ALA 24 3HB ALA 24 -4.055 -8.948 -13.329 1042 H THR 25 H THR 25 -1.603 -8.069 -12.129 1043 HA THR 25 HA THR 25 -0.970 -10.561 -10.986 1044 HB THR 25 HB THR 25 0.808 -8.248 -11.789 1045 HG1 THR 25 HG1 THR 25 1.016 -9.353 -13.688 1046 1HG2 THR 25 1HG2 THR 25 1.523 -10.771 -10.553 1047 2HG2 THR 25 2HG2 THR 25 2.499 -9.332 -10.855 1048 3HG2 THR 25 3HG2 THR 25 2.282 -10.536 -12.127 1049 H PHE 26 H PHE 26 -0.673 -7.269 -9.791 1050 HA PHE 26 HA PHE 26 0.788 -7.894 -7.442 1051 1HB PHE 26 1HB PHE 26 0.415 -5.589 -8.542 1052 2HB PHE 26 2HB PHE 26 -1.108 -5.568 -7.657 1053 HD1 PHE 26 HD1 PHE 26 2.554 -5.960 -7.183 1054 HD2 PHE 26 HD2 PHE 26 -1.169 -4.842 -5.453 1055 HE1 PHE 26 HE1 PHE 26 3.734 -5.140 -5.186 1056 HE2 PHE 26 HE2 PHE 26 0.003 -4.018 -3.454 1057 HZ PHE 26 HZ PHE 26 2.458 -4.166 -3.318 1058 H GLU 27 H GLU 27 -2.663 -7.458 -8.083 1059 HA GLU 27 HA GLU 27 -3.641 -7.722 -5.503 1060 1HB GLU 27 1HB GLU 27 -5.001 -7.003 -7.401 1061 2HB GLU 27 2HB GLU 27 -4.908 -8.616 -8.096 1062 1HG GLU 27 1HG GLU 27 -5.894 -8.972 -5.504 1063 2HG GLU 27 2HG GLU 27 -6.735 -7.564 -6.148 1064 H LYS 28 H LYS 28 -3.320 -10.310 -7.943 1065 HA LYS 28 HA LYS 28 -4.169 -12.364 -6.214 1066 1HB LYS 28 1HB LYS 28 -4.162 -12.407 -8.729 1067 2HB LYS 28 2HB LYS 28 -2.430 -12.700 -8.652 1068 1HG LYS 28 1HG LYS 28 -2.934 -14.730 -7.266 1069 2HG LYS 28 2HG LYS 28 -4.639 -14.471 -7.640 1070 1HD LYS 28 1HD LYS 28 -2.514 -14.740 -9.756 1071 2HD LYS 28 2HD LYS 28 -3.419 -16.115 -9.122 1072 1HE LYS 28 1HE LYS 28 -5.512 -14.748 -9.724 1073 2HE LYS 28 2HE LYS 28 -4.418 -13.770 -10.703 1074 1HZ LYS 28 1HZ LYS 28 -5.392 -15.470 -12.056 1075 2HZ LYS 28 2HZ LYS 28 -4.911 -16.684 -10.982 1076 3HZ LYS 28 3HZ LYS 28 -3.748 -15.822 -11.858 1077 H VAL 29 H VAL 29 -0.843 -11.458 -7.233 1078 HA VAL 29 HA VAL 29 0.431 -13.514 -5.800 1079 HB VAL 29 HB VAL 29 1.551 -10.820 -6.585 1080 1HG1 VAL 29 1HG1 VAL 29 2.903 -11.996 -4.886 1081 2HG1 VAL 29 2HG1 VAL 29 3.735 -11.865 -6.436 1082 3HG1 VAL 29 3HG1 VAL 29 3.000 -13.395 -5.958 1083 1HG2 VAL 29 1HG2 VAL 29 0.537 -12.622 -8.300 1084 2HG2 VAL 29 2HG2 VAL 29 2.180 -13.246 -8.144 1085 3HG2 VAL 29 3HG2 VAL 29 1.914 -11.586 -8.680 1086 H VAL 30 H VAL 30 -0.248 -10.148 -4.918 1087 HA VAL 30 HA VAL 30 1.131 -10.277 -2.442 1088 HB VAL 30 HB VAL 30 -1.016 -8.331 -3.294 1089 1HG1 VAL 30 1HG1 VAL 30 1.078 -8.089 -1.134 1090 2HG1 VAL 30 2HG1 VAL 30 -0.650 -8.319 -0.873 1091 3HG1 VAL 30 3HG1 VAL 30 -0.060 -6.834 -1.621 1092 1HG2 VAL 30 1HG2 VAL 30 1.119 -8.603 -4.714 1093 2HG2 VAL 30 2HG2 VAL 30 1.935 -7.826 -3.357 1094 3HG2 VAL 30 3HG2 VAL 30 0.642 -6.981 -4.209 1095 H LYS 31 H LYS 31 -2.355 -10.547 -3.225 1096 HA LYS 31 HA LYS 31 -3.195 -10.795 -0.553 1097 1HB LYS 31 1HB LYS 31 -4.721 -10.272 -2.406 1098 2HB LYS 31 2HB LYS 31 -4.461 -11.874 -3.079 1099 1HG LYS 31 1HG LYS 31 -5.333 -12.719 -0.800 1100 2HG LYS 31 2HG LYS 31 -5.969 -11.082 -0.624 1101 1HD LYS 31 1HD LYS 31 -7.176 -11.332 -2.745 1102 2HD LYS 31 2HD LYS 31 -6.552 -12.975 -2.901 1103 1HE LYS 31 1HE LYS 31 -7.668 -13.547 -0.763 1104 2HE LYS 31 2HE LYS 31 -8.368 -11.930 -0.733 1105 1HZ LYS 31 1HZ LYS 31 -10.011 -13.272 -1.659 1106 2HZ LYS 31 2HZ LYS 31 -8.921 -14.132 -2.623 1107 3HZ LYS 31 3HZ LYS 31 -9.303 -12.530 -3.004 1108 H GLN 32 H GLN 32 -2.340 -13.209 -2.999 1109 HA GLN 32 HA GLN 32 -2.925 -15.472 -1.420 1110 1HB GLN 32 1HB GLN 32 -2.618 -15.437 -3.915 1111 2HB GLN 32 2HB GLN 32 -0.886 -15.314 -3.638 1112 1HG GLN 32 1HG GLN 32 -0.782 -17.457 -2.675 1113 2HG GLN 32 2HG GLN 32 -2.536 -17.551 -2.511 1114 1HE2 GLN 32 1HE2 GLN 32 -3.700 -18.398 -4.125 1115 2HE2 GLN 32 2HE2 GLN 32 -3.060 -18.898 -5.649 1116 H PHE 33 H PHE 33 0.097 -13.635 -1.903 1117 HA PHE 33 HA PHE 33 1.704 -15.391 -0.391 1118 1HB PHE 33 1HB PHE 33 2.916 -14.134 -1.882 1119 2HB PHE 33 2HB PHE 33 1.977 -12.682 -1.591 1120 HD1 PHE 33 HD1 PHE 33 4.182 -14.883 0.510 1121 HD2 PHE 33 HD2 PHE 33 3.200 -10.972 -0.847 1122 HE1 PHE 33 HE1 PHE 33 6.002 -13.949 1.885 1123 HE2 PHE 33 HE2 PHE 33 5.006 -10.030 0.532 1124 HZ PHE 33 HZ PHE 33 6.407 -11.516 1.903 1125 H PHE 34 H PHE 34 0.123 -12.318 0.478 1126 HA PHE 34 HA PHE 34 1.135 -12.476 3.153 1127 1HB PHE 34 1HB PHE 34 -0.696 -10.573 1.744 1128 2HB PHE 34 2HB PHE 34 -0.497 -10.504 3.497 1129 HD1 PHE 34 HD1 PHE 34 0.614 -9.058 0.597 1130 HD2 PHE 34 HD2 PHE 34 2.147 -10.822 4.151 1131 HE1 PHE 34 HE1 PHE 34 2.725 -7.825 0.299 1132 HE2 PHE 34 HE2 PHE 34 4.252 -9.590 3.866 1133 HZ PHE 34 HZ PHE 34 4.550 -8.094 1.939 1134 H ASN 35 H ASN 35 -1.889 -13.412 1.613 1135 HA ASN 35 HA ASN 35 -3.506 -13.650 3.870 1136 1HB ASN 35 1HB ASN 35 -3.432 -15.098 1.254 1137 2HB ASN 35 2HB ASN 35 -4.497 -15.683 2.525 1138 1HD2 ASN 35 1HD2 ASN 35 -3.765 -12.271 2.109 1139 2HD2 ASN 35 2HD2 ASN 35 -5.338 -11.819 1.557 1140 H ASP 36 H ASP 36 -0.861 -15.623 2.818 1141 HA ASP 36 HA ASP 36 -1.330 -17.948 4.313 1142 1HB ASP 36 1HB ASP 36 1.293 -16.715 3.458 1143 2HB ASP 36 2HB ASP 36 1.095 -18.360 4.055 1144 H ASN 37 H ASN 37 -0.501 -14.820 5.365 1145 HA ASN 37 HA ASN 37 0.544 -15.856 7.914 1146 1HB ASN 37 1HB ASN 37 1.541 -13.736 8.336 1147 2HB ASN 37 2HB ASN 37 1.919 -14.157 6.670 1148 1HD2 ASN 37 1HD2 ASN 37 1.786 -12.522 5.339 1149 2HD2 ASN 37 2HD2 ASN 37 0.702 -11.183 5.463 1150 H GLY 38 H GLY 38 -2.284 -14.505 6.544 1151 1HA GLY 38 1HA GLY 38 -4.219 -14.762 8.098 1152 2HA GLY 38 2HA GLY 38 -3.268 -13.845 9.252 1153 H VAL 39 H VAL 39 -3.025 -12.803 5.975 1154 HA VAL 39 HA VAL 39 -4.451 -10.362 6.659 1155 HB VAL 39 HB VAL 39 -3.021 -11.001 4.078 1156 1HG1 VAL 39 1HG1 VAL 39 -4.501 -9.139 3.833 1157 2HG1 VAL 39 2HG1 VAL 39 -2.856 -8.513 3.947 1158 3HG1 VAL 39 3HG1 VAL 39 -3.934 -8.422 5.340 1159 1HG2 VAL 39 1HG2 VAL 39 -1.316 -11.209 5.641 1160 2HG2 VAL 39 2HG2 VAL 39 -1.995 -9.966 6.693 1161 3HG2 VAL 39 3HG2 VAL 39 -1.220 -9.510 5.176 1162 H ASP 40 H ASP 40 -6.265 -9.583 5.608 1163 HA ASP 40 HA ASP 40 -7.438 -11.053 3.417 1164 1HB ASP 40 1HB ASP 40 -8.575 -11.135 6.191 1165 2HB ASP 40 2HB ASP 40 -9.643 -11.225 4.795 1166 H GLY 41 H GLY 41 -9.834 -10.097 3.140 1167 1HA GLY 41 1HA GLY 41 -11.146 -8.041 3.424 1168 2HA GLY 41 2HA GLY 41 -9.624 -7.164 3.472 1169 H GLU 42 H GLU 42 -9.986 -5.815 1.754 1170 HA GLU 42 HA GLU 42 -9.764 -7.038 -0.869 1171 1HB GLU 42 1HB GLU 42 -12.046 -5.179 -0.183 1172 2HB GLU 42 2HB GLU 42 -11.649 -5.745 -1.799 1173 1HG GLU 42 1HG GLU 42 -11.968 -8.096 -0.874 1174 2HG GLU 42 2HG GLU 42 -12.719 -7.316 0.518 1175 H TRP 43 H TRP 43 -9.219 -5.510 -2.552 1176 HA TRP 43 HA TRP 43 -7.391 -3.519 -1.630 1177 1HB TRP 43 1HB TRP 43 -8.320 -4.302 -4.392 1178 2HB TRP 43 2HB TRP 43 -7.100 -3.066 -4.094 1179 HD1 TRP 43 HD1 TRP 43 -7.590 -6.820 -4.184 1180 HE1 TRP 43 HE1 TRP 43 -5.314 -7.979 -3.864 1181 HE3 TRP 43 HE3 TRP 43 -4.776 -2.749 -2.901 1182 HZ2 TRP 43 HZ2 TRP 43 -2.679 -7.262 -3.161 1183 HZ3 TRP 43 HZ3 TRP 43 -2.385 -3.072 -2.419 1184 HH2 TRP 43 HH2 TRP 43 -1.359 -5.284 -2.546 1185 H THR 44 H THR 44 -7.774 -1.519 -1.136 1186 HA THR 44 HA THR 44 -10.196 -0.233 -2.201 1187 HB THR 44 HB THR 44 -10.234 1.141 -0.199 1188 HG1 THR 44 HG1 THR 44 -8.685 1.022 1.328 1189 1HG2 THR 44 1HG2 THR 44 -10.745 -0.466 1.490 1190 2HG2 THR 44 2HG2 THR 44 -9.815 -1.710 0.655 1191 3HG2 THR 44 3HG2 THR 44 -11.302 -1.089 -0.063 1192 H TYR 45 H TYR 45 -10.060 1.732 -3.098 1193 HA TYR 45 HA TYR 45 -7.541 2.571 -4.144 1194 1HB TYR 45 1HB TYR 45 -10.340 3.643 -4.294 1195 2HB TYR 45 2HB TYR 45 -8.991 4.608 -4.884 1196 HD1 TYR 45 HD1 TYR 45 -11.149 1.765 -5.522 1197 HD2 TYR 45 HD2 TYR 45 -7.618 3.780 -6.778 1198 HE1 TYR 45 HE1 TYR 45 -11.224 0.552 -7.660 1199 HE2 TYR 45 HE2 TYR 45 -7.683 2.573 -8.919 1200 HH TYR 45 HH TYR 45 -9.471 1.441 -10.341 1201 H ASP 46 H ASP 46 -6.355 4.436 -3.686 1202 HA ASP 46 HA ASP 46 -6.379 5.251 -0.954 1203 1HB ASP 46 1HB ASP 46 -4.773 6.026 -3.370 1204 2HB ASP 46 2HB ASP 46 -4.640 6.959 -1.882 1205 H ASP 47 H ASP 47 -6.567 7.464 -0.195 1206 HA ASP 47 HA ASP 47 -8.925 8.726 -1.114 1207 1HB ASP 47 1HB ASP 47 -6.792 9.527 0.856 1208 2HB ASP 47 2HB ASP 47 -8.139 10.594 0.473 1209 H ALA 48 H ALA 48 -9.258 10.333 -2.533 1210 HA ALA 48 HA ALA 48 -7.370 11.039 -4.442 1211 1HB ALA 48 1HB ALA 48 -8.950 12.627 -5.251 1212 2HB ALA 48 2HB ALA 48 -9.753 12.715 -3.683 1213 3HB ALA 48 3HB ALA 48 -9.857 11.241 -4.644 1214 H THR 49 H THR 49 -6.018 12.754 -4.757 1215 HA THR 49 HA THR 49 -5.825 14.794 -2.663 1216 HB THR 49 HB THR 49 -3.433 13.273 -3.714 1217 HG1 THR 49 HG1 THR 49 -3.597 12.015 -2.034 1218 1HG2 THR 49 1HG2 THR 49 -3.631 15.245 -1.452 1219 2HG2 THR 49 2HG2 THR 49 -2.906 15.560 -3.029 1220 3HG2 THR 49 3HG2 THR 49 -2.188 14.362 -1.952 1221 H LYS 50 H LYS 50 -4.651 16.712 -3.329 1222 HA LYS 50 HA LYS 50 -4.649 17.038 -6.258 1223 1HB LYS 50 1HB LYS 50 -5.040 19.254 -4.252 1224 2HB LYS 50 2HB LYS 50 -5.338 19.302 -5.984 1225 1HG LYS 50 1HG LYS 50 -7.044 17.380 -5.397 1226 2HG LYS 50 2HG LYS 50 -6.984 18.138 -3.805 1227 1HD LYS 50 1HD LYS 50 -7.511 20.316 -4.887 1228 2HD LYS 50 2HD LYS 50 -7.709 19.459 -6.419 1229 1HE LYS 50 1HE LYS 50 -9.368 17.986 -5.032 1230 2HE LYS 50 2HE LYS 50 -9.409 19.388 -3.966 1231 1HZ LYS 50 1HZ LYS 50 -11.167 19.580 -5.543 1232 2HZ LYS 50 2HZ LYS 50 -10.120 19.317 -6.846 1233 3HZ LYS 50 3HZ LYS 50 -9.999 20.740 -5.939 1234 H THR 51 H THR 51 -3.022 18.231 -7.227 1235 HA THR 51 HA THR 51 -0.778 19.116 -5.578 1236 HB THR 51 HB THR 51 -0.644 17.012 -7.745 1237 HG1 THR 51 HG1 THR 51 -0.836 16.617 -5.340 1238 1HG2 THR 51 1HG2 THR 51 1.283 17.876 -8.459 1239 2HG2 THR 51 2HG2 THR 51 1.942 17.316 -6.923 1240 3HG2 THR 51 3HG2 THR 51 1.403 18.985 -7.093 1241 H PHE 52 H PHE 52 0.009 21.013 -6.264 1242 HA PHE 52 HA PHE 52 -1.137 22.234 -8.611 1243 1HB PHE 52 1HB PHE 52 -0.830 23.485 -6.491 1244 2HB PHE 52 2HB PHE 52 0.912 23.337 -6.681 1245 HD1 PHE 52 HD1 PHE 52 -2.122 24.959 -7.919 1246 HD2 PHE 52 HD2 PHE 52 2.103 24.645 -8.315 1247 HE1 PHE 52 HE1 PHE 52 -2.099 27.022 -9.260 1248 HE2 PHE 52 HE2 PHE 52 2.135 26.707 -9.656 1249 HZ PHE 52 HZ PHE 52 0.032 27.899 -10.129 1250 H THR 53 H THR 53 -0.295 22.062 -10.577 1251 HA THR 53 HA THR 53 2.525 21.339 -10.869 1252 HB THR 53 HB THR 53 0.312 21.433 -12.932 1253 HG1 THR 53 HG1 THR 53 1.529 19.232 -11.623 1254 1HG2 THR 53 1HG2 THR 53 2.459 21.697 -14.013 1255 2HG2 THR 53 2HG2 THR 53 1.806 20.087 -14.326 1256 3HG2 THR 53 3HG2 THR 53 3.093 20.303 -13.139 1257 H VAL 54 H VAL 54 4.015 22.791 -11.443 1258 HA VAL 54 HA VAL 54 3.314 25.528 -11.805 1259 HB VAL 54 HB VAL 54 6.018 24.385 -12.461 1260 1HG1 VAL 54 1HG1 VAL 54 6.719 26.601 -11.475 1261 2HG1 VAL 54 2HG1 VAL 54 5.015 27.049 -11.494 1262 3HG1 VAL 54 3HG1 VAL 54 5.845 26.678 -13.005 1263 1HG2 VAL 54 1HG2 VAL 54 5.713 23.419 -10.367 1264 2HG2 VAL 54 2HG2 VAL 54 4.754 24.774 -9.772 1265 3HG2 VAL 54 3HG2 VAL 54 6.496 24.952 -9.983 1266 H THR 55 H THR 55 3.812 26.866 -13.631 1267 HA THR 55 HA THR 55 4.146 25.501 -16.187 1268 HB THR 55 HB THR 55 1.850 27.392 -15.652 1269 HG1 THR 55 HG1 THR 55 1.834 24.614 -16.215 1270 1HG2 THR 55 1HG2 THR 55 1.461 25.939 -18.019 1271 2HG2 THR 55 2HG2 THR 55 3.089 26.614 -18.101 1272 3HG2 THR 55 3HG2 THR 55 1.706 27.676 -17.836 1273 H GLU 56 H GLU 56 3.131 28.797 -15.351 1274 HA GLU 56 HA GLU 56 5.622 30.036 -15.580 1275 1HB GLU 56 1HB GLU 56 5.307 31.107 -17.848 1276 2HB GLU 56 2HB GLU 56 5.746 29.404 -17.865 1277 1HG GLU 56 1HG GLU 56 3.272 28.919 -18.093 1278 2HG GLU 56 2HG GLU 56 3.071 30.640 -18.418 1279 1H MET 1 1H MET 1 0.272 1.584 -13.124 1280 2H MET 1 2H MET 1 1.492 0.936 -12.104 1281 3H MET 1 3H MET 1 1.436 2.623 -12.414 1282 HA MET 1 HA MET 1 -0.467 2.914 -11.184 1283 1HB MET 1 1HB MET 1 -0.670 -0.055 -11.516 1284 2HB MET 1 2HB MET 1 -1.469 0.712 -10.150 1285 1HG MET 1 1HG MET 1 -1.944 1.932 -12.792 1286 2HG MET 1 2HG MET 1 -2.631 0.330 -12.531 1287 1HE MET 1 1HE MET 1 -2.008 2.694 -9.562 1288 2HE MET 1 2HE MET 1 -3.472 3.675 -9.482 1289 3HE MET 1 3HE MET 1 -2.322 3.913 -10.798 1290 H GLN 2 H GLN 2 -0.167 3.458 -9.104 1291 HA GLN 2 HA GLN 2 2.173 2.379 -7.747 1292 1HB GLN 2 1HB GLN 2 1.660 4.865 -7.942 1293 2HB GLN 2 2HB GLN 2 0.372 4.595 -6.776 1294 1HG GLN 2 1HG GLN 2 1.819 4.224 -5.046 1295 2HG GLN 2 2HG GLN 2 3.115 3.671 -6.104 1296 1HE2 GLN 2 1HE2 GLN 2 1.173 6.604 -5.608 1297 2HE2 GLN 2 2HE2 GLN 2 2.502 7.704 -5.691 1298 H TYR 3 H TYR 3 2.044 0.835 -6.264 1299 HA TYR 3 HA TYR 3 -0.569 0.303 -5.032 1300 1HB TYR 3 1HB TYR 3 1.727 -1.467 -5.772 1301 2HB TYR 3 2HB TYR 3 0.611 -1.964 -4.503 1302 HD1 TYR 3 HD1 TYR 3 1.107 -1.572 -8.070 1303 HD2 TYR 3 HD2 TYR 3 -1.794 -2.290 -5.043 1304 HE1 TYR 3 HE1 TYR 3 -0.457 -2.411 -9.774 1305 HE2 TYR 3 HE2 TYR 3 -3.365 -3.132 -6.736 1306 HH TYR 3 HH TYR 3 -3.731 -2.854 -9.204 1307 H LYS 4 H LYS 4 -0.857 0.369 -2.938 1308 HA LYS 4 HA LYS 4 1.450 1.012 -1.222 1309 1HB LYS 4 1HB LYS 4 -1.487 1.517 -0.707 1310 2HB LYS 4 2HB LYS 4 -0.151 2.036 0.312 1311 1HG LYS 4 1HG LYS 4 -0.096 2.904 -2.515 1312 2HG LYS 4 2HG LYS 4 -1.318 3.630 -1.471 1313 1HD LYS 4 1HD LYS 4 1.506 3.471 -0.517 1314 2HD LYS 4 2HD LYS 4 1.063 4.709 -1.695 1315 1HE LYS 4 1HE LYS 4 -0.860 5.261 -0.084 1316 2HE LYS 4 2HE LYS 4 0.044 4.319 1.101 1317 1HZ LYS 4 1HZ LYS 4 0.630 6.602 1.337 1318 2HZ LYS 4 2HZ LYS 4 0.967 6.759 -0.314 1319 3HZ LYS 4 3HZ LYS 4 1.961 5.801 0.665 1320 H VAL 5 H VAL 5 2.033 -0.308 0.386 1321 HA VAL 5 HA VAL 5 0.150 -2.323 1.373 1322 HB VAL 5 HB VAL 5 2.946 -3.079 0.524 1323 1HG1 VAL 5 1HG1 VAL 5 2.269 -5.333 0.956 1324 2HG1 VAL 5 2HG1 VAL 5 0.607 -4.829 1.261 1325 3HG1 VAL 5 3HG1 VAL 5 1.889 -4.366 2.380 1326 1HG2 VAL 5 1HG2 VAL 5 1.878 -2.696 -1.518 1327 2HG2 VAL 5 2HG2 VAL 5 0.331 -3.305 -0.928 1328 3HG2 VAL 5 3HG2 VAL 5 1.656 -4.424 -1.243 1329 H ILE 6 H ILE 6 0.221 -2.457 3.538 1330 HA ILE 6 HA ILE 6 2.462 -1.178 4.923 1331 HB ILE 6 HB ILE 6 -0.163 -2.050 6.125 1332 1HG1 ILE 6 1HG1 ILE 6 0.591 0.717 5.161 1333 2HG1 ILE 6 2HG1 ILE 6 -0.455 -0.386 4.272 1334 1HG2 ILE 6 1HG2 ILE 6 2.115 -0.334 7.058 1335 2HG2 ILE 6 2HG2 ILE 6 1.403 -1.745 7.840 1336 3HG2 ILE 6 3HG2 ILE 6 0.510 -0.225 7.780 1337 1HD1 ILE 6 1HD1 ILE 6 -1.355 1.499 5.945 1338 2HD1 ILE 6 2HD1 ILE 6 -1.221 0.141 7.064 1339 3HD1 ILE 6 3HD1 ILE 6 -2.216 -0.005 5.616 1340 H LEU 7 H LEU 7 4.012 -2.435 5.731 1341 HA LEU 7 HA LEU 7 3.291 -5.140 6.657 1342 1HB LEU 7 1HB LEU 7 5.550 -4.187 4.985 1343 2HB LEU 7 2HB LEU 7 5.933 -5.395 6.198 1344 HG LEU 7 HG LEU 7 3.774 -6.556 5.060 1345 1HD1 LEU 7 1HD1 LEU 7 3.679 -6.225 2.742 1346 2HD1 LEU 7 2HD1 LEU 7 5.176 -5.292 2.726 1347 3HD1 LEU 7 3HD1 LEU 7 3.715 -4.603 3.433 1348 1HD2 LEU 7 1HD2 LEU 7 5.397 -7.894 3.736 1349 2HD2 LEU 7 2HD2 LEU 7 5.873 -7.677 5.421 1350 3HD2 LEU 7 3HD2 LEU 7 6.648 -6.723 4.157 1351 H ASN 8 H ASN 8 3.504 -5.379 8.790 1352 HA ASN 8 HA ASN 8 5.759 -4.241 10.185 1353 1HB ASN 8 1HB ASN 8 4.292 -3.126 11.901 1354 2HB ASN 8 2HB ASN 8 4.315 -2.336 10.327 1355 1HD2 ASN 8 1HD2 ASN 8 2.378 -3.340 12.778 1356 2HD2 ASN 8 2HD2 ASN 8 0.872 -3.433 11.938 1357 H GLY 9 H GLY 9 6.465 -6.018 11.175 1358 1HA GLY 9 1HA GLY 9 4.801 -8.192 11.917 1359 2HA GLY 9 2HA GLY 9 6.484 -7.978 12.372 1360 H LYS 10 H LYS 10 3.347 -8.122 13.493 1361 HA LYS 10 HA LYS 10 3.948 -6.586 15.921 1362 1HB LYS 10 1HB LYS 10 1.336 -7.705 14.887 1363 2HB LYS 10 2HB LYS 10 1.519 -6.839 16.407 1364 1HG LYS 10 1HG LYS 10 2.450 -5.523 13.911 1365 2HG LYS 10 2HG LYS 10 0.716 -5.624 14.222 1366 1HD LYS 10 1HD LYS 10 2.673 -4.568 16.248 1367 2HD LYS 10 2HD LYS 10 1.892 -3.535 15.049 1368 1HE LYS 10 1HE LYS 10 -0.311 -4.460 15.911 1369 2HE LYS 10 2HE LYS 10 0.612 -5.122 17.259 1370 1HZ LYS 10 1HZ LYS 10 0.137 -2.293 16.564 1371 2HZ LYS 10 2HZ LYS 10 1.447 -2.736 17.537 1372 3HZ LYS 10 3HZ LYS 10 -0.131 -3.084 18.035 1373 H THR 11 H THR 11 4.673 -7.658 17.629 1374 HA THR 11 HA THR 11 4.017 -10.519 17.883 1375 HB THR 11 HB THR 11 6.347 -9.070 19.147 1376 HG1 THR 11 HG1 THR 11 7.218 -9.148 17.258 1377 1HG2 THR 11 1HG2 THR 11 6.245 -11.003 20.341 1378 2HG2 THR 11 2HG2 THR 11 7.218 -11.538 18.973 1379 3HG2 THR 11 3HG2 THR 11 5.494 -11.908 19.029 1380 H LEU 12 H LEU 12 2.009 -9.988 18.928 1381 HA LEU 12 HA LEU 12 2.127 -8.633 21.491 1382 1HB LEU 12 1HB LEU 12 -0.072 -9.770 19.803 1383 2HB LEU 12 2HB LEU 12 -0.367 -9.379 21.487 1384 HG LEU 12 HG LEU 12 0.840 -7.285 19.741 1385 1HD1 LEU 12 1HD1 LEU 12 -2.130 -7.721 19.836 1386 2HD1 LEU 12 2HD1 LEU 12 -1.125 -8.361 18.535 1387 3HD1 LEU 12 3HD1 LEU 12 -1.209 -6.620 18.809 1388 1HD2 LEU 12 1HD2 LEU 12 0.591 -6.870 22.122 1389 2HD2 LEU 12 2HD2 LEU 12 -1.130 -7.243 22.024 1390 3HD2 LEU 12 3HD2 LEU 12 -0.487 -5.825 21.197 1391 H LYS 13 H LYS 13 0.729 -9.785 23.278 1392 HA LYS 13 HA LYS 13 2.012 -12.376 23.713 1393 1HB LYS 13 1HB LYS 13 0.696 -10.384 25.545 1394 2HB LYS 13 2HB LYS 13 1.071 -12.016 26.080 1395 1HG LYS 13 1HG LYS 13 3.451 -11.582 25.421 1396 2HG LYS 13 2HG LYS 13 2.997 -9.896 25.164 1397 1HD LYS 13 1HD LYS 13 2.063 -10.034 27.575 1398 2HD LYS 13 2HD LYS 13 3.084 -11.466 27.715 1399 1HE LYS 13 1HE LYS 13 4.963 -9.951 26.823 1400 2HE LYS 13 2HE LYS 13 3.889 -8.616 27.235 1401 1HZ LYS 13 1HZ LYS 13 4.478 -10.684 29.243 1402 2HZ LYS 13 2HZ LYS 13 4.044 -9.066 29.471 1403 3HZ LYS 13 3HZ LYS 13 5.606 -9.456 28.955 1404 H GLY 14 H GLY 14 0.770 -13.824 22.582 1405 1HA GLY 14 1HA GLY 14 -1.702 -14.611 23.829 1406 2HA GLY 14 2HA GLY 14 -1.926 -13.956 22.214 1407 H GLU 15 H GLU 15 -2.590 -15.837 21.239 1408 HA GLU 15 HA GLU 15 -0.477 -17.807 20.788 1409 1HB GLU 15 1HB GLU 15 -3.242 -18.423 21.815 1410 2HB GLU 15 2HB GLU 15 -2.269 -19.625 20.979 1411 1HG GLU 15 1HG GLU 15 -0.607 -19.582 22.669 1412 2HG GLU 15 2HG GLU 15 -1.320 -18.157 23.422 1413 H THR 16 H THR 16 -0.916 -19.206 18.923 1414 HA THR 16 HA THR 16 -1.220 -19.321 16.664 1415 HB THR 16 HB THR 16 -3.289 -20.290 17.603 1416 HG1 THR 16 HG1 THR 16 -4.076 -20.518 15.656 1417 1HG2 THR 16 1HG2 THR 16 -5.392 -18.886 17.206 1418 2HG2 THR 16 2HG2 THR 16 -4.312 -17.496 17.318 1419 3HG2 THR 16 3HG2 THR 16 -4.464 -18.608 18.680 1420 H THR 17 H THR 17 -0.341 -16.752 17.434 1421 HA THR 17 HA THR 17 -1.826 -14.635 16.365 1422 HB THR 17 HB THR 17 1.187 -14.816 16.420 1423 HG1 THR 17 HG1 THR 17 1.118 -14.624 18.509 1424 1HG2 THR 17 1HG2 THR 17 0.322 -12.316 17.282 1425 2HG2 THR 17 2HG2 THR 17 -0.644 -12.682 15.852 1426 3HG2 THR 17 3HG2 THR 17 1.117 -12.711 15.759 1427 H THR 18 H THR 18 0.907 -16.381 14.879 1428 HA THR 18 HA THR 18 1.527 -16.704 12.721 1429 HB THR 18 HB THR 18 -0.131 -17.302 11.156 1430 HG1 THR 18 HG1 THR 18 -2.083 -15.903 12.650 1431 1HG2 THR 18 1HG2 THR 18 -0.180 -18.513 13.492 1432 2HG2 THR 18 2HG2 THR 18 -1.346 -18.889 12.223 1433 3HG2 THR 18 3HG2 THR 18 -1.799 -17.817 13.548 1434 H GLU 19 H GLU 19 2.756 -15.168 11.878 1435 HA GLU 19 HA GLU 19 1.608 -13.078 10.296 1436 1HB GLU 19 1HB GLU 19 2.622 -11.197 11.523 1437 2HB GLU 19 2HB GLU 19 1.395 -12.018 12.476 1438 1HG GLU 19 1HG GLU 19 2.909 -12.027 14.104 1439 2HG GLU 19 2HG GLU 19 3.674 -13.338 13.207 1440 H ALA 20 H ALA 20 3.096 -12.158 8.872 1441 HA ALA 20 HA ALA 20 5.915 -12.759 9.162 1442 1HB ALA 20 1HB ALA 20 4.239 -13.997 6.996 1443 2HB ALA 20 2HB ALA 20 5.292 -14.802 8.160 1444 3HB ALA 20 3HB ALA 20 5.990 -13.822 6.870 1445 H VAL 21 H VAL 21 4.108 -10.383 8.875 1446 HA VAL 21 HA VAL 21 4.922 -9.291 6.306 1447 HB VAL 21 HB VAL 21 3.642 -7.249 7.055 1448 1HG1 VAL 21 1HG1 VAL 21 2.583 -8.712 5.543 1449 2HG1 VAL 21 2HG1 VAL 21 1.403 -8.407 6.818 1450 3HG1 VAL 21 3HG1 VAL 21 2.300 -9.925 6.791 1451 1HG2 VAL 21 1HG2 VAL 21 3.787 -7.728 9.494 1452 2HG2 VAL 21 2HG2 VAL 21 2.658 -9.063 9.257 1453 3HG2 VAL 21 3HG2 VAL 21 2.148 -7.407 8.929 1454 H ASP 22 H ASP 22 7.196 -9.446 6.943 1455 HA ASP 22 HA ASP 22 8.096 -7.284 8.719 1456 1HB ASP 22 1HB ASP 22 8.963 -9.567 9.158 1457 2HB ASP 22 2HB ASP 22 9.670 -9.587 7.545 1458 H ALA 23 H ALA 23 9.587 -5.795 8.065 1459 HA ALA 23 HA ALA 23 9.311 -4.669 5.565 1460 1HB ALA 23 1HB ALA 23 10.604 -4.077 7.927 1461 2HB ALA 23 2HB ALA 23 10.530 -3.053 6.491 1462 3HB ALA 23 3HB ALA 23 11.907 -4.129 6.739 1463 H ALA 24 H ALA 24 11.815 -6.895 6.717 1464 HA ALA 24 HA ALA 24 13.361 -6.884 4.339 1465 1HB ALA 24 1HB ALA 24 14.170 -7.600 6.593 1466 2HB ALA 24 2HB ALA 24 14.553 -8.724 5.288 1467 3HB ALA 24 3HB ALA 24 13.229 -9.079 6.398 1468 H THR 25 H THR 25 10.568 -8.695 5.402 1469 HA THR 25 HA THR 25 10.691 -10.825 3.566 1470 HB THR 25 HB THR 25 8.317 -9.516 4.912 1471 HG1 THR 25 HG1 THR 25 8.561 -11.111 6.411 1472 1HG2 THR 25 1HG2 THR 25 8.373 -11.672 2.976 1473 2HG2 THR 25 2HG2 THR 25 7.010 -10.761 3.631 1474 3HG2 THR 25 3HG2 THR 25 7.653 -12.147 4.515 1475 H PHE 26 H PHE 26 9.326 -7.594 3.350 1476 HA PHE 26 HA PHE 26 8.021 -7.946 0.856 1477 1HB PHE 26 1HB PHE 26 7.710 -6.055 2.586 1478 2HB PHE 26 2HB PHE 26 9.105 -5.307 1.814 1479 HD1 PHE 26 HD1 PHE 26 5.727 -6.670 1.087 1480 HD2 PHE 26 HD2 PHE 26 8.832 -4.007 -0.089 1481 HE1 PHE 26 HE1 PHE 26 4.256 -5.725 -0.644 1482 HE2 PHE 26 HE2 PHE 26 7.366 -3.056 -1.820 1483 HZ PHE 26 HZ PHE 26 5.074 -3.916 -2.100 1484 H GLU 27 H GLU 27 11.189 -6.655 1.753 1485 HA GLU 27 HA GLU 27 12.078 -5.852 -0.746 1486 1HB GLU 27 1HB GLU 27 13.236 -5.320 1.338 1487 2HB GLU 27 2HB GLU 27 13.680 -7.008 1.541 1488 1HG GLU 27 1HG GLU 27 14.608 -6.287 -0.997 1489 2HG GLU 27 2HG GLU 27 15.000 -4.932 0.062 1490 H LYS 28 H LYS 28 12.696 -8.995 0.833 1491 HA LYS 28 HA LYS 28 14.061 -10.093 -1.374 1492 1HB LYS 28 1HB LYS 28 14.190 -10.854 1.022 1493 2HB LYS 28 2HB LYS 28 12.639 -11.646 0.781 1494 1HG LYS 28 1HG LYS 28 13.692 -12.922 -1.105 1495 2HG LYS 28 2HG LYS 28 15.243 -12.255 -0.590 1496 1HD LYS 28 1HD LYS 28 13.415 -13.787 1.248 1497 2HD LYS 28 2HD LYS 28 14.688 -14.553 0.294 1498 1HE LYS 28 1HE LYS 28 16.255 -12.831 1.375 1499 2HE LYS 28 2HE LYS 28 14.948 -12.565 2.528 1500 1HZ LYS 28 1HZ LYS 28 16.457 -14.182 3.405 1501 2HZ LYS 28 2HZ LYS 28 16.356 -15.126 2.006 1502 3HZ LYS 28 3HZ LYS 28 15.009 -14.967 3.017 1503 H VAL 29 H VAL 29 10.673 -10.607 -0.288 1504 HA VAL 29 HA VAL 29 10.038 -12.458 -2.305 1505 HB VAL 29 HB VAL 29 8.171 -10.594 -0.834 1506 1HG1 VAL 29 1HG1 VAL 29 7.178 -11.599 -2.863 1507 2HG1 VAL 29 2HG1 VAL 29 6.418 -12.176 -1.378 1508 3HG1 VAL 29 3HG1 VAL 29 7.569 -13.201 -2.233 1509 1HG2 VAL 29 1HG2 VAL 29 9.779 -12.399 0.338 1510 2HG2 VAL 29 2HG2 VAL 29 8.408 -13.433 -0.066 1511 3HG2 VAL 29 3HG2 VAL 29 8.167 -12.002 0.934 1512 H VAL 30 H VAL 30 9.591 -8.946 -2.157 1513 HA VAL 30 HA VAL 30 8.206 -8.786 -4.626 1514 HB VAL 30 HB VAL 30 9.677 -6.596 -3.154 1515 1HG1 VAL 30 1HG1 VAL 30 7.514 -6.414 -5.252 1516 2HG1 VAL 30 2HG1 VAL 30 9.215 -6.006 -5.487 1517 3HG1 VAL 30 3HG1 VAL 30 8.226 -5.060 -4.374 1518 1HG2 VAL 30 1HG2 VAL 30 7.805 -7.909 -1.970 1519 2HG2 VAL 30 2HG2 VAL 30 6.722 -7.083 -3.089 1520 3HG2 VAL 30 3HG2 VAL 30 7.720 -6.147 -1.977 1521 H LYS 31 H LYS 31 11.633 -8.160 -3.793 1522 HA LYS 31 HA LYS 31 12.384 -7.365 -6.381 1523 1HB LYS 31 1HB LYS 31 13.755 -6.945 -4.386 1524 2HB LYS 31 2HB LYS 31 14.042 -8.671 -4.215 1525 1HG LYS 31 1HG LYS 31 15.026 -8.509 -6.597 1526 2HG LYS 31 2HG LYS 31 15.106 -6.776 -6.266 1527 1HD LYS 31 1HD LYS 31 16.427 -7.236 -4.247 1528 2HD LYS 31 2HD LYS 31 16.365 -8.962 -4.608 1529 1HE LYS 31 1HE LYS 31 17.499 -8.497 -6.765 1530 2HE LYS 31 2HE LYS 31 17.651 -6.808 -6.281 1531 1HZ LYS 31 1HZ LYS 31 19.678 -7.800 -5.726 1532 2HZ LYS 31 2HZ LYS 31 18.945 -9.178 -5.074 1533 3HZ LYS 31 3HZ LYS 31 18.848 -7.702 -4.254 1534 H GLN 32 H GLN 32 12.441 -10.518 -4.771 1535 HA GLN 32 HA GLN 32 13.627 -11.933 -6.904 1536 1HB GLN 32 1HB GLN 32 13.437 -12.708 -4.515 1537 2HB GLN 32 2HB GLN 32 11.746 -13.068 -4.835 1538 1HG GLN 32 1HG GLN 32 12.292 -14.761 -6.376 1539 2HG GLN 32 2HG GLN 32 13.975 -14.244 -6.462 1540 1HE2 GLN 32 1HE2 GLN 32 15.411 -15.123 -5.111 1541 2HE2 GLN 32 2HE2 GLN 32 15.027 -16.207 -3.823 1542 H PHE 33 H PHE 33 10.210 -11.351 -6.054 1543 HA PHE 33 HA PHE 33 9.160 -13.009 -8.078 1544 1HB PHE 33 1HB PHE 33 7.690 -12.676 -6.346 1545 2HB PHE 33 2HB PHE 33 8.113 -10.984 -6.167 1546 HD1 PHE 33 HD1 PHE 33 6.610 -13.067 -8.909 1547 HD2 PHE 33 HD2 PHE 33 6.383 -9.605 -6.445 1548 HE1 PHE 33 HE1 PHE 33 4.524 -12.397 -10.041 1549 HE2 PHE 33 HE2 PHE 33 4.310 -8.923 -7.579 1550 HZ PHE 33 HZ PHE 33 3.378 -10.314 -9.381 1551 H PHE 34 H PHE 34 9.661 -9.484 -7.958 1552 HA PHE 34 HA PHE 34 8.622 -9.178 -10.611 1553 1HB PHE 34 1HB PHE 34 9.830 -7.284 -8.633 1554 2HB PHE 34 2HB PHE 34 9.537 -6.783 -10.300 1555 HD1 PHE 34 HD1 PHE 34 8.169 -6.649 -7.164 1556 HD2 PHE 34 HD2 PHE 34 7.098 -7.713 -11.139 1557 HE1 PHE 34 HE1 PHE 34 5.793 -6.278 -6.624 1558 HE2 PHE 34 HE2 PHE 34 4.729 -7.338 -10.613 1559 HZ PHE 34 HZ PHE 34 4.069 -6.626 -8.355 1560 H ASN 35 H ASN 35 11.858 -9.514 -9.262 1561 HA ASN 35 HA ASN 35 13.360 -8.581 -11.416 1562 1HB ASN 35 1HB ASN 35 13.866 -10.663 -9.329 1563 2HB ASN 35 2HB ASN 35 15.001 -10.497 -10.663 1564 1HD2 ASN 35 1HD2 ASN 35 13.254 -7.757 -9.319 1565 2HD2 ASN 35 2HD2 ASN 35 14.631 -7.011 -8.591 1566 H ASP 36 H ASP 36 11.519 -11.498 -11.096 1567 HA ASP 36 HA ASP 36 12.621 -13.029 -13.171 1568 1HB ASP 36 1HB ASP 36 9.787 -12.981 -12.121 1569 2HB ASP 36 2HB ASP 36 10.464 -14.237 -13.153 1570 H ASN 37 H ASN 37 10.805 -10.155 -13.321 1571 HA ASN 37 HA ASN 37 10.015 -10.691 -16.106 1572 1HB ASN 37 1HB ASN 37 8.387 -8.961 -15.947 1573 2HB ASN 37 2HB ASN 37 8.239 -9.937 -14.492 1574 1HD2 ASN 37 1HD2 ASN 37 7.917 -8.796 -12.745 1575 2HD2 ASN 37 2HD2 ASN 37 8.521 -7.209 -12.429 1576 H GLY 38 H GLY 38 12.342 -8.975 -14.278 1577 1HA GLY 38 1HA GLY 38 14.185 -8.160 -15.748 1578 2HA GLY 38 2HA GLY 38 12.942 -7.296 -16.636 1579 H VAL 39 H VAL 39 12.545 -7.368 -13.212 1580 HA VAL 39 HA VAL 39 13.100 -4.514 -13.102 1581 HB VAL 39 HB VAL 39 12.063 -6.276 -10.882 1582 1HG1 VAL 39 1HG1 VAL 39 12.897 -4.195 -10.049 1583 2HG1 VAL 39 2HG1 VAL 39 11.135 -4.109 -10.056 1584 3HG1 VAL 39 3HG1 VAL 39 12.062 -3.294 -11.315 1585 1HG2 VAL 39 1HG2 VAL 39 10.434 -6.553 -12.512 1586 2HG2 VAL 39 2HG2 VAL 39 10.646 -4.920 -13.143 1587 3HG2 VAL 39 3HG2 VAL 39 9.837 -5.170 -11.596 1588 H ASP 40 H ASP 40 14.625 -3.542 -11.784 1589 HA ASP 40 HA ASP 40 16.299 -5.137 -10.054 1590 1HB ASP 40 1HB ASP 40 17.269 -4.063 -12.680 1591 2HB ASP 40 2HB ASP 40 18.379 -4.206 -11.321 1592 H GLY 41 H GLY 41 18.288 -3.595 -9.411 1593 1HA GLY 41 1HA GLY 41 18.874 -1.241 -9.031 1594 2HA GLY 41 2HA GLY 41 17.153 -0.913 -8.897 1595 H GLU 42 H GLU 42 17.153 -0.066 -6.844 1596 HA GLU 42 HA GLU 42 17.453 -1.999 -4.698 1597 1HB GLU 42 1HB GLU 42 19.005 0.595 -4.716 1598 2HB GLU 42 2HB GLU 42 18.884 -0.507 -3.351 1599 1HG GLU 42 1HG GLU 42 19.873 -2.268 -4.907 1600 2HG GLU 42 2HG GLU 42 20.281 -0.922 -5.968 1601 H TRP 43 H TRP 43 16.538 -1.269 -2.675 1602 HA TRP 43 HA TRP 43 14.139 0.227 -3.073 1603 1HB TRP 43 1HB TRP 43 15.399 -0.976 -0.609 1604 2HB TRP 43 2HB TRP 43 13.842 -0.152 -0.595 1605 HD1 TRP 43 HD1 TRP 43 15.477 -3.429 -1.550 1606 HE1 TRP 43 HE1 TRP 43 13.664 -5.097 -2.294 1607 HE3 TRP 43 HE3 TRP 43 11.483 -0.244 -1.765 1608 HZ2 TRP 43 HZ2 TRP 43 10.907 -5.067 -2.892 1609 HZ3 TRP 43 HZ3 TRP 43 9.292 -1.145 -2.432 1610 HH2 TRP 43 HH2 TRP 43 9.012 -3.506 -2.984 1611 H THR 44 H THR 44 13.859 2.301 -2.967 1612 HA THR 44 HA THR 44 15.804 3.921 -1.468 1613 HB THR 44 HB THR 44 15.309 5.748 -2.992 1614 HG1 THR 44 HG1 THR 44 13.787 5.610 -4.527 1615 1HG2 THR 44 1HG2 THR 44 16.219 4.940 -5.040 1616 2HG2 THR 44 2HG2 THR 44 15.762 3.282 -4.647 1617 3HG2 THR 44 3HG2 THR 44 17.013 4.098 -3.709 1618 H TYR 45 H TYR 45 15.102 5.400 -0.051 1619 HA TYR 45 HA TYR 45 12.500 5.071 1.073 1620 1HB TYR 45 1HB TYR 45 14.828 6.873 1.656 1621 2HB TYR 45 2HB TYR 45 13.274 7.157 2.434 1622 HD1 TYR 45 HD1 TYR 45 16.238 5.068 2.328 1623 HD2 TYR 45 HD2 TYR 45 12.321 5.439 3.946 1624 HE1 TYR 45 HE1 TYR 45 16.786 3.377 4.028 1625 HE2 TYR 45 HE2 TYR 45 12.857 3.751 5.650 1626 HH TYR 45 HH TYR 45 15.009 2.883 6.769 1627 H ASP 46 H ASP 46 10.772 6.519 1.116 1628 HA ASP 46 HA ASP 46 10.412 8.048 -1.264 1629 1HB ASP 46 1HB ASP 46 8.759 7.558 1.196 1630 2HB ASP 46 2HB ASP 46 8.271 8.786 0.032 1631 H ASP 47 H ASP 47 9.867 10.330 -1.350 1632 HA ASP 47 HA ASP 47 11.751 11.946 0.007 1633 1HB ASP 47 1HB ASP 47 9.384 12.571 -1.749 1634 2HB ASP 47 2HB ASP 47 10.349 13.848 -1.014 1635 H ALA 48 H ALA 48 11.622 13.108 1.838 1636 HA ALA 48 HA ALA 48 9.693 12.605 3.772 1637 1HB ALA 48 1HB ALA 48 10.731 14.307 5.079 1638 2HB ALA 48 2HB ALA 48 11.402 15.081 3.642 1639 3HB ALA 48 3HB ALA 48 11.998 13.500 4.152 1640 H THR 49 H THR 49 7.897 13.643 4.499 1641 HA THR 49 HA THR 49 6.981 16.031 3.073 1642 HB THR 49 HB THR 49 5.235 13.608 3.538 1643 HG1 THR 49 HG1 THR 49 5.697 12.998 1.577 1644 1HG2 THR 49 1HG2 THR 49 4.701 16.108 1.953 1645 2HG2 THR 49 2HG2 THR 49 3.984 15.703 3.513 1646 3HG2 THR 49 3HG2 THR 49 3.634 14.711 2.097 1647 H LYS 50 H LYS 50 5.303 17.212 4.211 1648 HA LYS 50 HA LYS 50 5.347 16.664 7.108 1649 1HB LYS 50 1HB LYS 50 4.919 19.367 5.842 1650 2HB LYS 50 2HB LYS 50 5.274 19.008 7.526 1651 1HG LYS 50 1HG LYS 50 7.467 17.976 6.480 1652 2HG LYS 50 2HG LYS 50 7.090 19.108 5.180 1653 1HD LYS 50 1HD LYS 50 6.960 20.922 6.877 1654 2HD LYS 50 2HD LYS 50 7.494 19.764 8.096 1655 1HE LYS 50 1HE LYS 50 9.462 19.361 6.424 1656 2HE LYS 50 2HE LYS 50 9.004 20.947 5.807 1657 1HZ LYS 50 1HZ LYS 50 10.691 21.218 7.453 1658 2HZ LYS 50 2HZ LYS 50 9.837 20.288 8.579 1659 3HZ LYS 50 3HZ LYS 50 9.240 21.797 8.104 1660 H THR 51 H THR 51 3.477 16.962 8.306 1661 HA THR 51 HA THR 51 0.994 17.534 6.881 1662 HB THR 51 HB THR 51 1.620 14.962 8.342 1663 HG1 THR 51 HG1 THR 51 1.813 15.356 5.938 1664 1HG2 THR 51 1HG2 THR 51 -0.446 14.942 9.181 1665 2HG2 THR 51 2HG2 THR 51 -0.969 14.676 7.519 1666 3HG2 THR 51 3HG2 THR 51 -0.964 16.306 8.190 1667 H PHE 52 H PHE 52 -0.314 18.810 8.043 1668 HA PHE 52 HA PHE 52 0.502 19.604 10.694 1669 1HB PHE 52 1HB PHE 52 -0.276 21.250 9.010 1670 2HB PHE 52 2HB PHE 52 -1.873 20.515 9.060 1671 HD1 PHE 52 HD1 PHE 52 0.547 22.581 10.860 1672 HD2 PHE 52 HD2 PHE 52 -3.345 20.860 10.935 1673 HE1 PHE 52 HE1 PHE 52 -0.067 24.061 12.727 1674 HE2 PHE 52 HE2 PHE 52 -3.966 22.339 12.801 1675 HZ PHE 52 HZ PHE 52 -2.326 23.942 13.700 1676 H THR 53 H THR 53 -0.157 18.624 12.487 1677 HA THR 53 HA THR 53 -2.594 17.006 12.420 1678 HB THR 53 HB THR 53 -0.432 17.188 14.531 1679 HG1 THR 53 HG1 THR 53 -0.953 15.197 12.580 1680 1HG2 THR 53 1HG2 THR 53 -2.514 16.444 15.522 1681 2HG2 THR 53 2HG2 THR 53 -1.364 15.111 15.410 1682 3HG2 THR 53 3HG2 THR 53 -2.698 15.226 14.260 1683 H VAL 54 H VAL 54 -4.436 17.694 13.311 1684 HA VAL 54 HA VAL 54 -4.610 20.287 14.474 1685 HB VAL 54 HB VAL 54 -6.786 18.218 14.649 1686 1HG1 VAL 54 1HG1 VAL 54 -8.186 20.297 14.293 1687 2HG1 VAL 54 2HG1 VAL 54 -6.705 21.221 14.547 1688 3HG1 VAL 54 3HG1 VAL 54 -7.329 20.185 15.830 1689 1HG2 VAL 54 1HG2 VAL 54 -6.287 18.038 12.382 1690 2HG2 VAL 54 2HG2 VAL 54 -5.840 19.738 12.245 1691 3HG2 VAL 54 3HG2 VAL 54 -7.536 19.284 12.417 1692 H THR 55 H THR 55 -5.416 20.820 16.583 1693 HA THR 55 HA THR 55 -5.186 18.747 18.621 1694 HB THR 55 HB THR 55 -3.620 21.327 18.758 1695 HG1 THR 55 HG1 THR 55 -2.727 18.651 18.484 1696 1HG2 THR 55 1HG2 THR 55 -2.691 19.449 20.624 1697 2HG2 THR 55 2HG2 THR 55 -4.441 19.539 20.822 1698 3HG2 THR 55 3HG2 THR 55 -3.464 21.003 20.936 1699 H GLU 56 H GLU 56 -5.288 22.289 18.816 1700 HA GLU 56 HA GLU 56 -8.028 22.568 19.277 1701 1HB GLU 56 1HB GLU 56 -7.951 22.987 21.770 1702 2HB GLU 56 2HB GLU 56 -7.837 21.302 21.277 1703 1HG GLU 56 1HG GLU 56 -5.326 21.569 21.465 1704 2HG GLU 56 2HG GLU 56 -5.655 23.096 22.281 Start of MODEL 12 1 1H MET 1 1H MET 1 10.546 19.816 -1.041 2 2H MET 1 2H MET 1 11.378 20.753 0.131 3 3H MET 1 3H MET 1 9.911 21.329 -0.547 4 HA MET 1 HA MET 1 10.106 18.834 0.983 5 1HB MET 1 1HB MET 1 9.866 21.684 1.851 6 2HB MET 1 2HB MET 1 8.960 20.462 2.733 7 1HG MET 1 1HG MET 1 11.797 19.846 2.258 8 2HG MET 1 2HG MET 1 11.476 21.209 3.328 9 1HE MET 1 1HE MET 1 8.974 18.356 2.872 10 2HE MET 1 2HE MET 1 9.380 17.197 4.140 11 3HE MET 1 3HE MET 1 10.425 17.363 2.729 12 H GLN 2 H GLN 2 8.254 17.741 0.981 13 HA GLN 2 HA GLN 2 5.993 18.843 -0.487 14 1HB GLN 2 1HB GLN 2 7.027 16.442 -0.700 15 2HB GLN 2 2HB GLN 2 6.020 16.093 0.699 16 1HG GLN 2 1HG GLN 2 4.051 16.418 -0.470 17 2HG GLN 2 2HG GLN 2 4.837 17.376 -1.724 18 1HE2 GLN 2 1HE2 GLN 2 5.465 14.175 -0.327 19 2HE2 GLN 2 2HE2 GLN 2 5.458 13.327 -1.833 20 H TYR 3 H TYR 3 4.275 19.705 0.472 21 HA TYR 3 HA TYR 3 3.893 19.192 3.341 22 1HB TYR 3 1HB TYR 3 3.369 21.594 1.631 23 2HB TYR 3 2HB TYR 3 2.465 21.365 3.127 24 HD1 TYR 3 HD1 TYR 3 5.644 22.307 1.665 25 HD2 TYR 3 HD2 TYR 3 3.681 21.274 5.295 26 HE1 TYR 3 HE1 TYR 3 7.512 23.270 2.943 27 HE2 TYR 3 HE2 TYR 3 5.541 22.234 6.582 28 HH TYR 3 HH TYR 3 8.219 22.638 5.922 29 H LYS 4 H LYS 4 2.171 18.233 4.034 30 HA LYS 4 HA LYS 4 -0.032 17.696 2.151 31 1HB LYS 4 1HB LYS 4 1.215 16.134 4.344 32 2HB LYS 4 2HB LYS 4 -0.521 15.951 4.137 33 1HG LYS 4 1HG LYS 4 0.043 15.533 1.656 34 2HG LYS 4 2HG LYS 4 1.685 15.257 2.241 35 1HD LYS 4 1HD LYS 4 0.440 13.693 3.964 36 2HD LYS 4 2HD LYS 4 -0.793 13.669 2.699 37 1HE LYS 4 1HE LYS 4 1.293 13.184 1.159 38 2HE LYS 4 2HE LYS 4 1.986 12.602 2.671 39 1HZ LYS 4 1HZ LYS 4 0.873 10.848 1.390 40 2HZ LYS 4 2HZ LYS 4 -0.595 11.675 1.537 41 3HZ LYS 4 3HZ LYS 4 0.172 11.067 2.915 42 H VAL 5 H VAL 5 -1.984 18.528 2.499 43 HA VAL 5 HA VAL 5 -2.772 19.325 5.205 44 HB VAL 5 HB VAL 5 -3.107 21.199 2.861 45 1HG1 VAL 5 1HG1 VAL 5 -3.299 21.885 5.773 46 2HG1 VAL 5 2HG1 VAL 5 -4.678 21.221 4.899 47 3HG1 VAL 5 3HG1 VAL 5 -3.957 22.745 4.381 48 1HG2 VAL 5 1HG2 VAL 5 -0.740 21.020 3.329 49 2HG2 VAL 5 2HG2 VAL 5 -1.033 21.257 5.055 50 3HG2 VAL 5 3HG2 VAL 5 -1.343 22.572 3.918 51 H ILE 6 H ILE 6 -4.768 18.604 5.626 52 HA ILE 6 HA ILE 6 -6.457 17.765 3.392 53 HB ILE 6 HB ILE 6 -6.959 17.259 6.319 54 1HG1 ILE 6 1HG1 ILE 6 -5.535 15.436 4.369 55 2HG1 ILE 6 2HG1 ILE 6 -4.725 16.391 5.608 56 1HG2 ILE 6 1HG2 ILE 6 -8.235 15.318 5.383 57 2HG2 ILE 6 2HG2 ILE 6 -7.981 16.008 3.779 58 3HG2 ILE 6 3HG2 ILE 6 -8.902 16.904 4.989 59 1HD1 ILE 6 1HD1 ILE 6 -5.226 13.918 6.076 60 2HD1 ILE 6 2HD1 ILE 6 -6.887 14.456 6.332 61 3HD1 ILE 6 3HD1 ILE 6 -5.587 15.102 7.333 62 H LEU 7 H LEU 7 -7.983 19.104 2.689 63 HA LEU 7 HA LEU 7 -9.133 21.060 4.564 64 1HB LEU 7 1HB LEU 7 -8.458 21.142 1.695 65 2HB LEU 7 2HB LEU 7 -10.001 21.862 2.108 66 HG LEU 7 HG LEU 7 -8.353 22.979 3.988 67 1HD1 LEU 7 1HD1 LEU 7 -6.307 23.619 3.026 68 2HD1 LEU 7 2HD1 LEU 7 -6.776 23.021 1.433 69 3HD1 LEU 7 3HD1 LEU 7 -6.436 21.883 2.738 70 1HD2 LEU 7 1HD2 LEU 7 -9.790 24.440 2.978 71 2HD2 LEU 7 2HD2 LEU 7 -9.434 23.845 1.356 72 3HD2 LEU 7 3HD2 LEU 7 -8.287 24.904 2.179 73 H ASN 8 H ASN 8 -11.180 20.770 5.210 74 HA ASN 8 HA ASN 8 -13.081 19.458 3.442 75 1HB ASN 8 1HB ASN 8 -11.853 17.755 4.990 76 2HB ASN 8 2HB ASN 8 -12.895 18.415 6.248 77 1HD2 ASN 8 1HD2 ASN 8 -12.955 16.984 3.021 78 2HD2 ASN 8 2HD2 ASN 8 -14.488 16.207 3.199 79 H GLY 9 H GLY 9 -14.151 21.436 3.367 80 1HA GLY 9 1HA GLY 9 -15.186 22.523 5.882 81 2HA GLY 9 2HA GLY 9 -15.261 23.302 4.308 82 H LYS 10 H LYS 10 -16.384 20.238 5.749 83 HA LYS 10 HA LYS 10 -19.132 20.893 5.212 84 1HB LYS 10 1HB LYS 10 -18.012 19.994 3.027 85 2HB LYS 10 2HB LYS 10 -18.145 18.431 3.818 86 1HG LYS 10 1HG LYS 10 -20.564 18.750 4.031 87 2HG LYS 10 2HG LYS 10 -20.421 20.307 3.211 88 1HD LYS 10 1HD LYS 10 -19.965 19.343 1.170 89 2HD LYS 10 2HD LYS 10 -19.322 17.867 1.893 90 1HE LYS 10 1HE LYS 10 -21.759 17.519 2.719 91 2HE LYS 10 2HE LYS 10 -22.168 18.679 1.456 92 1HZ LYS 10 1HZ LYS 10 -20.901 17.185 -0.096 93 2HZ LYS 10 2HZ LYS 10 -22.354 16.554 0.498 94 3HZ LYS 10 3HZ LYS 10 -20.881 16.030 1.141 95 H THR 11 H THR 11 -19.638 20.446 7.308 96 HA THR 11 HA THR 11 -19.862 17.675 8.036 97 HB THR 11 HB THR 11 -18.322 19.425 9.941 98 HG1 THR 11 HG1 THR 11 -16.539 19.019 8.918 99 1HG2 THR 11 1HG2 THR 11 -19.446 17.257 10.669 100 2HG2 THR 11 2HG2 THR 11 -17.739 17.473 11.057 101 3HG2 THR 11 3HG2 THR 11 -18.213 16.446 9.702 102 H LEU 12 H LEU 12 -22.055 18.029 8.159 103 HA LEU 12 HA LEU 12 -24.034 18.511 9.166 104 1HB LEU 12 1HB LEU 12 -22.505 19.674 11.480 105 2HB LEU 12 2HB LEU 12 -24.105 18.957 11.486 106 HG LEU 12 HG LEU 12 -21.588 17.389 10.941 107 1HD1 LEU 12 1HD1 LEU 12 -22.947 18.114 13.490 108 2HD1 LEU 12 2HD1 LEU 12 -21.227 17.951 13.133 109 3HD1 LEU 12 3HD1 LEU 12 -22.229 16.512 13.328 110 1HD2 LEU 12 1HD2 LEU 12 -23.282 16.099 10.094 111 2HD2 LEU 12 2HD2 LEU 12 -24.480 16.738 11.218 112 3HD2 LEU 12 3HD2 LEU 12 -23.285 15.569 11.776 113 H LYS 13 H LYS 13 -24.522 20.078 7.607 114 HA LYS 13 HA LYS 13 -24.886 22.722 8.666 115 1HB LYS 13 1HB LYS 13 -22.839 22.181 6.547 116 2HB LYS 13 2HB LYS 13 -23.745 23.687 6.507 117 1HG LYS 13 1HG LYS 13 -23.007 23.932 8.967 118 2HG LYS 13 2HG LYS 13 -21.800 22.711 8.556 119 1HD LYS 13 1HD LYS 13 -20.742 24.097 7.014 120 2HD LYS 13 2HD LYS 13 -22.153 25.143 6.843 121 1HE LYS 13 1HE LYS 13 -21.723 26.266 8.815 122 2HE LYS 13 2HE LYS 13 -20.780 24.936 9.488 123 1HZ LYS 13 1HZ LYS 13 -19.957 26.916 7.448 124 2HZ LYS 13 2HZ LYS 13 -19.113 25.468 7.676 125 3HZ LYS 13 3HZ LYS 13 -19.233 26.583 8.941 126 H GLY 14 H GLY 14 -27.033 22.669 8.256 127 1HA GLY 14 1HA GLY 14 -28.198 21.542 5.931 128 2HA GLY 14 2HA GLY 14 -29.007 22.592 7.081 129 H GLU 15 H GLU 15 -27.197 24.818 6.747 130 HA GLU 15 HA GLU 15 -28.420 25.984 4.424 131 1HB GLU 15 1HB GLU 15 -26.292 27.157 6.221 132 2HB GLU 15 2HB GLU 15 -27.330 28.038 5.109 133 1HG GLU 15 1HG GLU 15 -29.218 27.740 6.443 134 2HG GLU 15 2HG GLU 15 -28.477 26.425 7.354 135 H THR 16 H THR 16 -26.911 27.442 3.026 136 HA THR 16 HA THR 16 -24.589 25.835 2.182 137 HB THR 16 HB THR 16 -26.236 27.478 0.274 138 HG1 THR 16 HG1 THR 16 -27.757 26.092 0.874 139 1HG2 THR 16 1HG2 THR 16 -23.883 26.186 -0.110 140 2HG2 THR 16 2HG2 THR 16 -25.066 26.535 -1.374 141 3HG2 THR 16 3HG2 THR 16 -25.048 24.951 -0.593 142 H THR 17 H THR 17 -23.143 27.124 3.348 143 HA THR 17 HA THR 17 -23.014 29.966 2.662 144 HB THR 17 HB THR 17 -21.419 30.143 4.519 145 HG1 THR 17 HG1 THR 17 -20.509 28.444 5.329 146 1HG2 THR 17 1HG2 THR 17 -23.682 30.402 5.197 147 2HG2 THR 17 2HG2 THR 17 -22.872 29.393 6.397 148 3HG2 THR 17 3HG2 THR 17 -23.941 28.658 5.200 149 H THR 18 H THR 18 -20.485 30.665 2.825 150 HA THR 18 HA THR 18 -19.348 29.662 0.401 151 HB THR 18 HB THR 18 -17.409 31.223 1.162 152 HG1 THR 18 HG1 THR 18 -18.097 32.749 2.711 153 1HG2 THR 18 1HG2 THR 18 -19.708 31.723 -0.248 154 2HG2 THR 18 2HG2 THR 18 -18.328 32.808 -0.089 155 3HG2 THR 18 3HG2 THR 18 -19.711 32.979 0.990 156 H GLU 19 H GLU 19 -18.880 29.029 3.784 157 HA GLU 19 HA GLU 19 -17.617 27.503 4.900 158 1HB GLU 19 1HB GLU 19 -17.052 26.364 2.156 159 2HB GLU 19 2HB GLU 19 -16.786 25.549 3.692 160 1HG GLU 19 1HG GLU 19 -19.019 25.170 4.039 161 2HG GLU 19 2HG GLU 19 -19.517 26.537 3.043 162 H ALA 20 H ALA 20 -15.637 27.609 5.779 163 HA ALA 20 HA ALA 20 -13.688 29.350 4.585 164 1HB ALA 20 1HB ALA 20 -14.217 28.236 7.211 165 2HB ALA 20 2HB ALA 20 -13.423 29.745 6.761 166 3HB ALA 20 3HB ALA 20 -12.498 28.245 6.814 167 H VAL 21 H VAL 21 -13.180 26.164 6.047 168 HA VAL 21 HA VAL 21 -10.848 25.649 4.504 169 HB VAL 21 HB VAL 21 -12.454 23.568 5.984 170 1HG1 VAL 21 1HG1 VAL 21 -9.492 23.754 5.446 171 2HG1 VAL 21 2HG1 VAL 21 -10.627 22.812 4.476 172 3HG1 VAL 21 3HG1 VAL 21 -10.363 22.400 6.172 173 1HG2 VAL 21 1HG2 VAL 21 -10.423 25.519 7.058 174 2HG2 VAL 21 2HG2 VAL 21 -10.960 24.076 7.917 175 3HG2 VAL 21 3HG2 VAL 21 -12.111 25.359 7.539 176 H ASP 22 H ASP 22 -12.193 26.198 2.479 177 HA ASP 22 HA ASP 22 -13.510 23.805 1.393 178 1HB ASP 22 1HB ASP 22 -14.745 25.967 1.303 179 2HB ASP 22 2HB ASP 22 -13.468 26.616 0.278 180 H ALA 23 H ALA 23 -12.890 22.863 -0.479 181 HA ALA 23 HA ALA 23 -10.224 22.607 -1.072 182 1HB ALA 23 1HB ALA 23 -12.608 21.523 -1.957 183 2HB ALA 23 2HB ALA 23 -10.982 21.022 -2.435 184 3HB ALA 23 3HB ALA 23 -11.872 22.190 -3.416 185 H ALA 24 H ALA 24 -12.595 24.725 -2.660 186 HA ALA 24 HA ALA 24 -10.822 25.749 -4.616 187 1HB ALA 24 1HB ALA 24 -13.338 25.837 -4.678 188 2HB ALA 24 2HB ALA 24 -12.514 27.333 -5.120 189 3HB ALA 24 3HB ALA 24 -13.242 27.166 -3.523 190 H THR 25 H THR 25 -11.523 26.650 -1.310 191 HA THR 25 HA THR 25 -10.390 29.227 -1.314 192 HB THR 25 HB THR 25 -10.835 27.190 0.868 193 HG1 THR 25 HG1 THR 25 -12.622 28.315 1.229 194 1HG2 THR 25 1HG2 THR 25 -9.202 29.542 1.051 195 2HG2 THR 25 2HG2 THR 25 -9.557 28.314 2.270 196 3HG2 THR 25 3HG2 THR 25 -10.640 29.694 2.064 197 H PHE 26 H PHE 26 -9.013 26.035 -0.731 198 HA PHE 26 HA PHE 26 -6.442 26.917 0.060 199 1HB PHE 26 1HB PHE 26 -7.431 24.578 0.340 200 2HB PHE 26 2HB PHE 26 -6.996 24.307 -1.346 201 HD1 PHE 26 HD1 PHE 26 -5.574 25.261 1.946 202 HD2 PHE 26 HD2 PHE 26 -4.843 23.635 -1.918 203 HE1 PHE 26 HE1 PHE 26 -3.291 24.660 2.636 204 HE2 PHE 26 HE2 PHE 26 -2.558 23.028 -1.235 205 HZ PHE 26 HZ PHE 26 -1.779 23.540 1.045 206 H GLU 27 H GLU 27 -7.745 25.897 -3.079 207 HA GLU 27 HA GLU 27 -5.409 26.093 -4.580 208 1HB GLU 27 1HB GLU 27 -8.265 26.601 -5.429 209 2HB GLU 27 2HB GLU 27 -6.918 26.375 -6.535 210 1HG GLU 27 1HG GLU 27 -6.603 24.120 -5.783 211 2HG GLU 27 2HG GLU 27 -7.815 24.329 -4.520 212 H LYS 28 H LYS 28 -7.907 28.571 -4.020 213 HA LYS 28 HA LYS 28 -6.642 30.560 -5.572 214 1HB LYS 28 1HB LYS 28 -9.073 30.464 -4.824 215 2HB LYS 28 2HB LYS 28 -8.516 31.091 -3.278 216 1HG LYS 28 1HG LYS 28 -7.773 33.115 -4.273 217 2HG LYS 28 2HG LYS 28 -8.008 32.473 -5.900 218 1HD LYS 28 1HD LYS 28 -9.874 33.837 -5.561 219 2HD LYS 28 2HD LYS 28 -10.472 32.211 -5.221 220 1HE LYS 28 1HE LYS 28 -10.301 32.582 -2.856 221 2HE LYS 28 2HE LYS 28 -9.493 34.129 -3.111 222 1HZ LYS 28 1HZ LYS 28 -11.511 34.982 -4.117 223 2HZ LYS 28 2HZ LYS 28 -11.829 34.416 -2.557 224 3HZ LYS 28 3HZ LYS 28 -12.286 33.493 -3.900 225 H VAL 29 H VAL 29 -6.612 29.962 -2.049 226 HA VAL 29 HA VAL 29 -5.101 32.232 -1.367 227 HB VAL 29 HB VAL 29 -5.247 29.578 0.067 228 1HG1 VAL 29 1HG1 VAL 29 -3.334 30.982 0.759 229 2HG1 VAL 29 2HG1 VAL 29 -4.532 30.782 2.040 230 3HG1 VAL 29 3HG1 VAL 29 -4.459 32.291 1.128 231 1HG2 VAL 29 1HG2 VAL 29 -7.183 30.234 1.047 232 2HG2 VAL 29 2HG2 VAL 29 -7.352 31.142 -0.455 233 3HG2 VAL 29 3HG2 VAL 29 -6.758 31.945 0.999 234 H VAL 30 H VAL 30 -4.112 28.930 -2.180 235 HA VAL 30 HA VAL 30 -1.360 29.357 -1.617 236 HB VAL 30 HB VAL 30 -2.555 27.234 -3.404 237 1HG1 VAL 30 1HG1 VAL 30 -0.543 26.011 -3.060 238 2HG1 VAL 30 2HG1 VAL 30 0.028 27.166 -1.856 239 3HG1 VAL 30 3HG1 VAL 30 -0.074 27.639 -3.550 240 1HG2 VAL 30 1HG2 VAL 30 -1.767 26.651 -0.609 241 2HG2 VAL 30 2HG2 VAL 30 -3.069 25.972 -1.586 242 3HG2 VAL 30 3HG2 VAL 30 -3.258 27.562 -0.848 243 H LYS 31 H LYS 31 -3.222 29.404 -4.675 244 HA LYS 31 HA LYS 31 -0.996 29.819 -6.341 245 1HB LYS 31 1HB LYS 31 -3.420 29.162 -6.942 246 2HB LYS 31 2HB LYS 31 -3.751 30.886 -6.910 247 1HG LYS 31 1HG LYS 31 -1.426 30.100 -8.517 248 2HG LYS 31 2HG LYS 31 -2.982 29.518 -9.104 249 1HD LYS 31 1HD LYS 31 -3.785 31.934 -8.782 250 2HD LYS 31 2HD LYS 31 -2.073 32.344 -8.686 251 1HE LYS 31 1HE LYS 31 -1.687 31.419 -10.885 252 2HE LYS 31 2HE LYS 31 -3.357 30.866 -10.976 253 1HZ LYS 31 1HZ LYS 31 -2.684 33.061 -12.120 254 2HZ LYS 31 2HZ LYS 31 -2.782 33.722 -10.568 255 3HZ LYS 31 3HZ LYS 31 -4.142 32.996 -11.264 256 H GLN 32 H GLN 32 -3.255 32.075 -4.805 257 HA GLN 32 HA GLN 32 -2.134 34.426 -5.896 258 1HB GLN 32 1HB GLN 32 -4.418 34.139 -4.794 259 2HB GLN 32 2HB GLN 32 -3.575 34.261 -3.255 260 1HG GLN 32 1HG GLN 32 -4.438 36.406 -3.772 261 2HG GLN 32 2HG GLN 32 -2.693 36.471 -4.006 262 1HE2 GLN 32 1HE2 GLN 32 -2.610 38.093 -5.468 263 2HE2 GLN 32 2HE2 GLN 32 -3.297 38.008 -7.051 264 H PHE 33 H PHE 33 -1.530 32.690 -2.837 265 HA PHE 33 HA PHE 33 0.242 34.614 -1.782 266 1HB PHE 33 1HB PHE 33 -0.701 33.279 -0.177 267 2HB PHE 33 2HB PHE 33 -0.570 31.822 -1.144 268 HD1 PHE 33 HD1 PHE 33 1.863 34.292 0.317 269 HD2 PHE 33 HD2 PHE 33 0.699 30.233 -0.217 270 HE1 PHE 33 HE1 PHE 33 3.800 33.559 1.657 271 HE2 PHE 33 HE2 PHE 33 2.635 29.494 1.106 272 HZ PHE 33 HZ PHE 33 4.190 31.150 2.046 273 H PHE 34 H PHE 34 0.849 31.547 -3.499 274 HA PHE 34 HA PHE 34 3.678 31.956 -3.365 275 1HB PHE 34 1HB PHE 34 1.933 29.844 -4.532 276 2HB PHE 34 2HB PHE 34 3.631 29.931 -5.014 277 HD1 PHE 34 HD1 PHE 34 1.371 28.729 -2.555 278 HD2 PHE 34 HD2 PHE 34 5.350 30.130 -3.113 279 HE1 PHE 34 HE1 PHE 34 2.040 27.673 -0.432 280 HE2 PHE 34 HE2 PHE 34 6.027 29.071 -1.001 281 HZ PHE 34 HZ PHE 34 4.374 27.850 0.348 282 H ASN 35 H ASN 35 1.235 32.695 -5.767 283 HA ASN 35 HA ASN 35 2.881 32.986 -8.005 284 1HB ASN 35 1HB ASN 35 0.321 34.298 -7.172 285 2HB ASN 35 2HB ASN 35 1.179 34.908 -8.583 286 1HD2 ASN 35 1HD2 ASN 35 1.264 31.524 -7.711 287 2HD2 ASN 35 2HD2 ASN 35 0.282 30.970 -9.018 288 H ASP 36 H ASP 36 2.524 35.005 -5.202 289 HA ASP 36 HA ASP 36 3.684 37.374 -6.166 290 1HB ASP 36 1HB ASP 36 3.706 36.255 -3.356 291 2HB ASP 36 2HB ASP 36 4.081 37.919 -3.795 292 H ASN 37 H ASN 37 5.092 34.338 -5.494 293 HA ASN 37 HA ASN 37 7.780 35.508 -5.262 294 1HB ASN 37 1HB ASN 37 7.202 32.573 -4.994 295 2HB ASN 37 2HB ASN 37 8.544 33.499 -4.332 296 1HD2 ASN 37 1HD2 ASN 37 5.687 32.026 -3.635 297 2HD2 ASN 37 2HD2 ASN 37 5.317 32.816 -2.141 298 H GLY 38 H GLY 38 5.733 33.884 -7.500 299 1HA GLY 38 1HA GLY 38 6.600 34.145 -9.833 300 2HA GLY 38 2HA GLY 38 8.071 33.393 -9.238 301 H VAL 39 H VAL 39 5.167 32.117 -7.934 302 HA VAL 39 HA VAL 39 5.600 29.643 -9.400 303 HB VAL 39 HB VAL 39 3.577 30.200 -7.224 304 1HG1 VAL 39 1HG1 VAL 39 3.707 27.701 -6.955 305 2HG1 VAL 39 2HG1 VAL 39 4.598 27.659 -8.476 306 3HG1 VAL 39 3HG1 VAL 39 2.941 28.260 -8.442 307 1HG2 VAL 39 1HG2 VAL 39 5.246 28.947 -5.790 308 2HG2 VAL 39 2HG2 VAL 39 5.692 30.591 -6.246 309 3HG2 VAL 39 3HG2 VAL 39 6.416 29.217 -7.081 310 H ASP 40 H ASP 40 4.108 28.679 -10.780 311 HA ASP 40 HA ASP 40 1.550 29.954 -11.250 312 1HB ASP 40 1HB ASP 40 3.576 29.763 -13.487 313 2HB ASP 40 2HB ASP 40 1.934 30.387 -13.611 314 H GLY 41 H GLY 41 0.659 28.814 -13.447 315 1HA GLY 41 1HA GLY 41 0.701 26.656 -14.628 316 2HA GLY 41 2HA GLY 41 1.157 25.922 -13.099 317 H GLU 42 H GLU 42 -0.556 24.513 -12.959 318 HA GLU 42 HA GLU 42 -3.065 25.702 -12.120 319 1HB GLU 42 1HB GLU 42 -2.884 23.816 -14.471 320 2HB GLU 42 2HB GLU 42 -4.383 24.188 -13.628 321 1HG GLU 42 1HG GLU 42 -4.091 26.560 -14.206 322 2HG GLU 42 2HG GLU 42 -2.634 26.141 -15.108 323 H TRP 43 H TRP 43 -4.501 24.157 -11.082 324 HA TRP 43 HA TRP 43 -3.045 22.304 -9.471 325 1HB TRP 43 1HB TRP 43 -5.944 23.071 -9.670 326 2HB TRP 43 2HB TRP 43 -5.426 21.735 -8.647 327 HD1 TRP 43 HD1 TRP 43 -5.571 25.495 -8.780 328 HE1 TRP 43 HE1 TRP 43 -4.670 26.470 -6.580 329 HE3 TRP 43 HE3 TRP 43 -3.617 21.230 -6.751 330 HZ2 TRP 43 HZ2 TRP 43 -3.302 25.551 -4.280 331 HZ3 TRP 43 HZ3 TRP 43 -2.528 21.363 -4.548 332 HH2 TRP 43 HH2 TRP 43 -2.376 23.480 -3.340 333 H THR 44 H THR 44 -2.507 20.331 -9.979 334 HA THR 44 HA THR 44 -4.163 18.866 -11.920 335 HB THR 44 HB THR 44 -2.166 17.598 -12.509 336 HG1 THR 44 HG1 THR 44 -0.592 17.527 -11.152 337 1HG2 THR 44 1HG2 THR 44 -2.558 19.815 -13.613 338 2HG2 THR 44 2HG2 THR 44 -0.890 19.236 -13.631 339 3HG2 THR 44 3HG2 THR 44 -1.377 20.495 -12.492 340 H TYR 45 H TYR 45 -4.867 16.867 -11.441 341 HA TYR 45 HA TYR 45 -5.045 16.131 -8.693 342 1HB TYR 45 1HB TYR 45 -5.978 14.896 -11.264 343 2HB TYR 45 2HB TYR 45 -6.080 13.989 -9.758 344 HD1 TYR 45 HD1 TYR 45 -7.496 16.671 -11.741 345 HD2 TYR 45 HD2 TYR 45 -7.501 14.835 -7.903 346 HE1 TYR 45 HE1 TYR 45 -9.610 17.808 -11.206 347 HE2 TYR 45 HE2 TYR 45 -9.616 15.964 -7.358 348 HH TYR 45 HH TYR 45 -10.838 18.044 -8.106 349 H ASP 46 H ASP 46 -4.109 14.434 -7.595 350 HA ASP 46 HA ASP 46 -1.491 13.678 -8.434 351 1HB ASP 46 1HB ASP 46 -3.232 12.998 -6.082 352 2HB ASP 46 2HB ASP 46 -1.727 12.126 -6.354 353 H ASP 47 H ASP 47 -0.722 11.467 -8.666 354 HA ASP 47 HA ASP 47 -2.278 9.972 -10.493 355 1HB ASP 47 1HB ASP 47 -0.465 8.271 -10.288 356 2HB ASP 47 2HB ASP 47 0.133 9.894 -10.617 357 H ALA 48 H ALA 48 -3.653 8.317 -10.222 358 HA ALA 48 HA ALA 48 -4.883 7.796 -7.803 359 1HB ALA 48 1HB ALA 48 -4.786 6.298 -10.391 360 2HB ALA 48 2HB ALA 48 -6.110 7.226 -9.686 361 3HB ALA 48 3HB ALA 48 -5.674 5.658 -9.007 362 H THR 49 H THR 49 -4.711 6.291 -6.226 363 HA THR 49 HA THR 49 -2.560 4.303 -6.397 364 HB THR 49 HB THR 49 -3.031 6.031 -3.963 365 HG1 THR 49 HG1 THR 49 -2.015 7.428 -5.192 366 1HG2 THR 49 1HG2 THR 49 -0.783 4.150 -4.630 367 2HG2 THR 49 2HG2 THR 49 -2.048 3.872 -3.437 368 3HG2 THR 49 3HG2 THR 49 -0.887 5.178 -3.203 369 H LYS 50 H LYS 50 -2.807 2.514 -4.894 370 HA LYS 50 HA LYS 50 -5.565 2.219 -3.897 371 1HB LYS 50 1HB LYS 50 -3.925 0.363 -5.575 372 2HB LYS 50 2HB LYS 50 -5.092 -0.310 -4.445 373 1HG LYS 50 1HG LYS 50 -6.843 1.096 -5.526 374 2HG LYS 50 2HG LYS 50 -5.645 1.561 -6.736 375 1HD LYS 50 1HD LYS 50 -6.029 -1.337 -6.217 376 2HD LYS 50 2HD LYS 50 -7.301 -0.487 -7.096 377 1HE LYS 50 1HE LYS 50 -5.226 0.444 -8.454 378 2HE LYS 50 2HE LYS 50 -4.491 -1.053 -7.881 379 1HZ LYS 50 1HZ LYS 50 -5.727 -1.067 -10.109 380 2HZ LYS 50 2HZ LYS 50 -7.140 -1.075 -9.181 381 3HZ LYS 50 3HZ LYS 50 -6.021 -2.334 -9.029 382 H THR 51 H THR 51 -5.677 1.827 -1.806 383 HA THR 51 HA THR 51 -3.320 0.725 -0.429 384 HB THR 51 HB THR 51 -5.546 2.535 0.523 385 HG1 THR 51 HG1 THR 51 -3.867 3.958 0.852 386 1HG2 THR 51 1HG2 THR 51 -3.435 1.166 2.168 387 2HG2 THR 51 2HG2 THR 51 -5.184 1.110 2.385 388 3HG2 THR 51 3HG2 THR 51 -4.304 2.609 2.691 389 H PHE 52 H PHE 52 -3.485 -1.170 0.663 390 HA PHE 52 HA PHE 52 -5.900 -2.710 0.338 391 1HB PHE 52 1HB PHE 52 -3.544 -3.635 0.124 392 2HB PHE 52 2HB PHE 52 -3.435 -3.528 1.878 393 HD1 PHE 52 HD1 PHE 52 -5.261 -5.128 -0.907 394 HD2 PHE 52 HD2 PHE 52 -4.422 -5.155 3.266 395 HE1 PHE 52 HE1 PHE 52 -6.343 -7.328 -0.707 396 HE2 PHE 52 HE2 PHE 52 -5.502 -7.355 3.473 397 HZ PHE 52 HZ PHE 52 -6.464 -8.446 1.485 398 H THR 53 H THR 53 -7.542 -2.670 1.711 399 HA THR 53 HA THR 53 -7.128 -1.683 4.425 400 HB THR 53 HB THR 53 -9.673 -2.354 2.930 401 HG1 THR 53 HG1 THR 53 -8.482 0.139 3.567 402 1HG2 THR 53 1HG2 THR 53 -9.261 -1.104 5.628 403 2HG2 THR 53 2HG2 THR 53 -10.203 -2.538 5.225 404 3HG2 THR 53 3HG2 THR 53 -10.752 -0.947 4.701 405 H VAL 54 H VAL 54 -6.778 -3.061 6.045 406 HA VAL 54 HA VAL 54 -7.022 -5.877 5.711 407 HB VAL 54 HB VAL 54 -6.729 -4.504 8.371 408 1HG1 VAL 54 1HG1 VAL 54 -6.129 -7.205 7.261 409 2HG1 VAL 54 2HG1 VAL 54 -6.923 -6.761 8.771 410 3HG1 VAL 54 3HG1 VAL 54 -5.176 -6.587 8.609 411 1HG2 VAL 54 1HG2 VAL 54 -4.666 -4.892 6.220 412 2HG2 VAL 54 2HG2 VAL 54 -4.232 -4.727 7.921 413 3HG2 VAL 54 3HG2 VAL 54 -5.076 -3.417 7.096 414 H THR 55 H THR 55 -8.331 -7.322 6.981 415 HA THR 55 HA THR 55 -10.692 -6.193 8.251 416 HB THR 55 HB THR 55 -10.848 -8.029 5.856 417 HG1 THR 55 HG1 THR 55 -11.762 -5.387 6.321 418 1HG2 THR 55 1HG2 THR 55 -13.399 -7.269 6.344 419 2HG2 THR 55 2HG2 THR 55 -12.791 -7.510 7.981 420 3HG2 THR 55 3HG2 THR 55 -12.708 -8.823 6.806 421 H GLU 56 H GLU 56 -10.284 -9.475 7.002 422 HA GLU 56 HA GLU 56 -9.190 -10.659 9.280 423 1HB GLU 56 1HB GLU 56 -11.329 -11.783 10.119 424 2HB GLU 56 2HB GLU 56 -11.073 -10.104 10.574 425 1HG GLU 56 1HG GLU 56 -12.708 -9.330 9.119 426 2HG GLU 56 2HG GLU 56 -12.688 -10.807 8.159 427 1H MET 1 1H MET 1 -10.189 15.943 2.234 428 2H MET 1 2H MET 1 -11.340 16.843 1.335 429 3H MET 1 3H MET 1 -10.107 17.654 2.208 430 HA MET 1 HA MET 1 -9.575 15.767 0.026 431 1HB MET 1 1HB MET 1 -10.276 18.673 0.031 432 2HB MET 1 2HB MET 1 -9.080 18.102 -1.124 433 1HG MET 1 1HG MET 1 -11.554 16.522 -0.978 434 2HG MET 1 2HG MET 1 -11.727 18.166 -1.590 435 1HE MET 1 1HE MET 1 -8.438 16.236 -1.876 436 2HE MET 1 2HE MET 1 -8.534 15.418 -3.436 437 3HE MET 1 3HE MET 1 -9.503 14.846 -2.079 438 H GLN 2 H GLN 2 -7.474 15.356 -0.201 439 HA GLN 2 HA GLN 2 -5.603 16.638 1.628 440 1HB GLN 2 1HB GLN 2 -5.825 14.079 1.095 441 2HB GLN 2 2HB GLN 2 -4.828 14.478 -0.296 442 1HG GLN 2 1HG GLN 2 -3.005 15.049 1.007 443 2HG GLN 2 2HG GLN 2 -3.990 15.316 2.445 444 1HE2 GLN 2 1HE2 GLN 2 -3.643 12.618 0.164 445 2HE2 GLN 2 2HE2 GLN 2 -3.308 11.423 1.365 446 H TYR 3 H TYR 3 -4.285 18.228 1.038 447 HA TYR 3 HA TYR 3 -3.901 18.706 -1.836 448 1HB TYR 3 1HB TYR 3 -4.066 20.554 0.515 449 2HB TYR 3 2HB TYR 3 -3.209 21.058 -0.938 450 HD1 TYR 3 HD1 TYR 3 -6.446 20.518 0.590 451 HD2 TYR 3 HD2 TYR 3 -4.442 21.207 -3.099 452 HE1 TYR 3 HE1 TYR 3 -8.581 21.176 -0.442 453 HE2 TYR 3 HE2 TYR 3 -6.568 21.868 -4.139 454 HH TYR 3 HH TYR 3 -9.191 21.234 -3.527 455 H LYS 4 H LYS 4 -2.000 18.572 -2.697 456 HA LYS 4 HA LYS 4 0.348 18.230 -0.952 457 1HB LYS 4 1HB LYS 4 -0.458 17.059 -3.556 458 2HB LYS 4 2HB LYS 4 1.258 17.371 -3.329 459 1HG LYS 4 1HG LYS 4 0.968 16.102 -1.103 460 2HG LYS 4 2HG LYS 4 -0.532 15.511 -1.821 461 1HD LYS 4 1HD LYS 4 1.053 14.975 -3.859 462 2HD LYS 4 2HD LYS 4 2.292 14.979 -2.603 463 1HE LYS 4 1HE LYS 4 0.536 13.445 -1.362 464 2HE LYS 4 2HE LYS 4 -0.006 13.131 -3.012 465 1HZ LYS 4 1HZ LYS 4 1.660 11.528 -2.228 466 2HZ LYS 4 2HZ LYS 4 2.785 12.781 -2.050 467 3HZ LYS 4 3HZ LYS 4 2.194 12.387 -3.585 468 H VAL 5 H VAL 5 1.924 19.690 -0.953 469 HA VAL 5 HA VAL 5 2.297 21.434 -3.278 470 HB VAL 5 HB VAL 5 2.145 22.564 -0.482 471 1HG1 VAL 5 1HG1 VAL 5 1.968 24.082 -3.059 472 2HG1 VAL 5 2HG1 VAL 5 3.530 23.656 -2.358 473 3HG1 VAL 5 3HG1 VAL 5 2.401 24.665 -1.451 474 1HG2 VAL 5 1HG2 VAL 5 -0.067 21.790 -1.101 475 2HG2 VAL 5 2HG2 VAL 5 0.052 22.616 -2.654 476 3HG2 VAL 5 3HG2 VAL 5 -0.008 23.552 -1.160 477 H ILE 6 H ILE 6 4.398 21.522 -3.794 478 HA ILE 6 HA ILE 6 6.370 20.647 -1.819 479 HB ILE 6 HB ILE 6 6.862 21.181 -4.742 480 1HG1 ILE 6 1HG1 ILE 6 6.168 18.529 -3.462 481 2HG1 ILE 6 2HG1 ILE 6 5.046 19.495 -4.415 482 1HG2 ILE 6 1HG2 ILE 6 8.722 19.557 -4.347 483 2HG2 ILE 6 2HG2 ILE 6 8.342 19.634 -2.627 484 3HG2 ILE 6 3HG2 ILE 6 8.879 21.082 -3.478 485 1HD1 ILE 6 1HD1 ILE 6 6.265 17.544 -5.546 486 2HD1 ILE 6 2HD1 ILE 6 7.667 18.614 -5.553 487 3HD1 ILE 6 3HD1 ILE 6 6.191 19.090 -6.392 488 H LEU 7 H LEU 7 7.439 22.134 -0.696 489 HA LEU 7 HA LEU 7 7.830 24.802 -1.877 490 1HB LEU 7 1HB LEU 7 7.312 23.839 0.862 491 2HB LEU 7 2HB LEU 7 8.525 25.098 0.742 492 HG LEU 7 HG LEU 7 6.514 26.124 -0.807 493 1HD1 LEU 7 1HD1 LEU 7 4.424 25.784 0.214 494 2HD1 LEU 7 2HD1 LEU 7 5.140 24.935 1.584 495 3HD1 LEU 7 3HD1 LEU 7 5.105 24.172 -0.007 496 1HD2 LEU 7 1HD2 LEU 7 7.462 27.616 0.638 497 2HD2 LEU 7 2HD2 LEU 7 7.413 26.501 2.001 498 3HD2 LEU 7 3HD2 LEU 7 5.941 27.323 1.481 499 H ASN 8 H ASN 8 9.838 25.370 -2.487 500 HA ASN 8 HA ASN 8 12.144 24.275 -1.089 501 1HB ASN 8 1HB ASN 8 11.422 22.769 -3.092 502 2HB ASN 8 2HB ASN 8 12.143 24.037 -4.080 503 1HD2 ASN 8 1HD2 ASN 8 12.802 21.856 -1.384 504 2HD2 ASN 8 2HD2 ASN 8 14.489 21.676 -1.709 505 H GLY 9 H GLY 9 12.983 26.184 -0.476 506 1HA GLY 9 1HA GLY 9 13.267 28.307 -2.491 507 2HA GLY 9 2HA GLY 9 13.383 28.526 -0.752 508 H LYS 10 H LYS 10 15.015 26.828 -3.423 509 HA LYS 10 HA LYS 10 17.214 26.467 -3.873 510 1HB LYS 10 1HB LYS 10 17.655 28.855 -2.075 511 2HB LYS 10 2HB LYS 10 18.810 28.200 -3.226 512 1HG LYS 10 1HG LYS 10 16.835 28.642 -4.922 513 2HG LYS 10 2HG LYS 10 16.372 29.823 -3.696 514 1HD LYS 10 1HD LYS 10 18.241 31.108 -4.035 515 2HD LYS 10 2HD LYS 10 19.211 29.742 -4.588 516 1HE LYS 10 1HE LYS 10 18.899 30.735 -6.600 517 2HE LYS 10 2HE LYS 10 17.401 29.808 -6.555 518 1HZ LYS 10 1HZ LYS 10 16.180 31.688 -5.941 519 2HZ LYS 10 2HZ LYS 10 17.226 32.248 -7.145 520 3HZ LYS 10 3HZ LYS 10 17.558 32.574 -5.518 521 H THR 11 H THR 11 19.434 26.085 -2.776 522 HA THR 11 HA THR 11 18.976 24.243 -0.621 523 HB THR 11 HB THR 11 21.711 25.035 -1.554 524 HG1 THR 11 HG1 THR 11 19.977 23.301 -2.972 525 1HG2 THR 11 1HG2 THR 11 21.573 22.322 -1.574 526 2HG2 THR 11 2HG2 THR 11 20.496 22.730 -0.239 527 3HG2 THR 11 3HG2 THR 11 22.165 23.299 -0.232 528 H LEU 12 H LEU 12 19.817 24.317 1.466 529 HA LEU 12 HA LEU 12 20.346 25.276 3.457 530 1HB LEU 12 1HB LEU 12 22.175 26.523 1.511 531 2HB LEU 12 2HB LEU 12 21.975 27.408 3.012 532 HG LEU 12 HG LEU 12 23.916 25.891 3.057 533 1HD1 LEU 12 1HD1 LEU 12 21.666 25.208 4.941 534 2HD1 LEU 12 2HD1 LEU 12 22.895 26.457 5.153 535 3HD1 LEU 12 3HD1 LEU 12 23.353 24.754 5.188 536 1HD2 LEU 12 1HD2 LEU 12 22.028 23.571 3.117 537 2HD2 LEU 12 2HD2 LEU 12 23.769 23.588 2.840 538 3HD2 LEU 12 3HD2 LEU 12 22.671 24.168 1.589 539 H LYS 13 H LYS 13 20.530 27.643 4.536 540 HA LYS 13 HA LYS 13 17.972 28.881 3.927 541 1HB LYS 13 1HB LYS 13 18.434 30.193 6.022 542 2HB LYS 13 2HB LYS 13 18.344 28.451 6.243 543 1HG LYS 13 1HG LYS 13 20.667 28.254 6.515 544 2HG LYS 13 2HG LYS 13 20.959 29.877 5.879 545 1HD LYS 13 1HD LYS 13 19.848 30.841 7.835 546 2HD LYS 13 2HD LYS 13 19.548 29.221 8.467 547 1HE LYS 13 1HE LYS 13 22.266 30.417 7.938 548 2HE LYS 13 2HE LYS 13 21.497 30.298 9.519 549 1HZ LYS 13 1HZ LYS 13 22.368 28.059 7.779 550 2HZ LYS 13 2HZ LYS 13 21.436 27.852 9.173 551 3HZ LYS 13 3HZ LYS 13 22.998 28.489 9.289 552 H GLY 14 H GLY 14 17.912 31.359 4.189 553 1HA GLY 14 1HA GLY 14 19.687 33.252 3.860 554 2HA GLY 14 2HA GLY 14 19.895 32.437 2.317 555 H GLU 15 H GLU 15 17.006 33.233 4.237 556 HA GLU 15 HA GLU 15 15.937 34.599 1.856 557 1HB GLU 15 1HB GLU 15 14.564 33.028 4.029 558 2HB GLU 15 2HB GLU 15 13.682 34.118 2.970 559 1HG GLU 15 1HG GLU 15 13.417 32.063 1.950 560 2HG GLU 15 2HG GLU 15 14.753 32.782 1.053 561 H THR 16 H THR 16 17.356 36.358 2.933 562 HA THR 16 HA THR 16 16.366 37.630 5.278 563 HB THR 16 HB THR 16 18.660 37.970 4.708 564 HG1 THR 16 HG1 THR 16 18.032 39.815 5.606 565 1HG2 THR 16 1HG2 THR 16 18.732 39.651 2.505 566 2HG2 THR 16 2HG2 THR 16 17.670 38.325 2.029 567 3HG2 THR 16 3HG2 THR 16 19.305 37.986 2.593 568 H THR 17 H THR 17 15.097 39.430 5.515 569 HA THR 17 HA THR 17 13.331 40.787 5.109 570 HB THR 17 HB THR 17 13.522 41.901 2.687 571 HG1 THR 17 HG1 THR 17 15.231 41.288 1.676 572 1HG2 THR 17 1HG2 THR 17 14.218 42.686 5.189 573 2HG2 THR 17 2HG2 THR 17 14.374 43.675 3.737 574 3HG2 THR 17 3HG2 THR 17 15.764 42.775 4.345 575 H THR 18 H THR 18 13.637 39.879 1.697 576 HA THR 18 HA THR 18 10.861 39.259 1.535 577 HB THR 18 HB THR 18 11.521 38.425 -0.790 578 HG1 THR 18 HG1 THR 18 13.610 38.958 -1.442 579 1HG2 THR 18 1HG2 THR 18 12.260 41.231 -0.001 580 2HG2 THR 18 2HG2 THR 18 10.685 40.661 -0.561 581 3HG2 THR 18 3HG2 THR 18 12.067 40.663 -1.661 582 H GLU 19 H GLU 19 10.277 37.121 0.280 583 HA GLU 19 HA GLU 19 11.453 34.891 1.807 584 1HB GLU 19 1HB GLU 19 8.668 35.031 0.640 585 2HB GLU 19 2HB GLU 19 9.308 33.780 1.694 586 1HG GLU 19 1HG GLU 19 9.382 35.260 3.549 587 2HG GLU 19 2HG GLU 19 9.035 36.652 2.525 588 H ALA 20 H ALA 20 10.962 32.707 0.621 589 HA ALA 20 HA ALA 20 10.968 32.814 -2.248 590 1HB ALA 20 1HB ALA 20 13.519 32.135 -0.798 591 2HB ALA 20 2HB ALA 20 13.253 33.449 -1.943 592 3HB ALA 20 3HB ALA 20 13.221 31.775 -2.499 593 H VAL 21 H VAL 21 9.156 31.536 -0.904 594 HA VAL 21 HA VAL 21 8.133 29.544 -0.465 595 HB VAL 21 HB VAL 21 10.136 28.408 -2.416 596 1HG1 VAL 21 1HG1 VAL 21 7.280 27.605 -1.892 597 2HG1 VAL 21 2HG1 VAL 21 8.678 26.813 -1.164 598 3HG1 VAL 21 3HG1 VAL 21 8.457 26.780 -2.914 599 1HG2 VAL 21 1HG2 VAL 21 7.562 29.883 -2.951 600 2HG2 VAL 21 2HG2 VAL 21 8.472 28.981 -4.160 601 3HG2 VAL 21 3HG2 VAL 21 9.189 30.398 -3.393 602 H ASP 22 H ASP 22 9.277 29.815 1.688 603 HA ASP 22 HA ASP 22 11.296 27.732 2.157 604 1HB ASP 22 1HB ASP 22 11.786 30.059 2.909 605 2HB ASP 22 2HB ASP 22 10.416 29.952 4.009 606 H ALA 23 H ALA 23 11.067 26.157 3.637 607 HA ALA 23 HA ALA 23 8.642 24.929 4.009 608 1HB ALA 23 1HB ALA 23 11.285 24.430 4.656 609 2HB ALA 23 2HB ALA 23 9.919 23.335 4.890 610 3HB ALA 23 3HB ALA 23 10.444 24.385 6.207 611 H ALA 24 H ALA 24 10.318 27.121 6.254 612 HA ALA 24 HA ALA 24 8.412 26.935 8.335 613 1HB ALA 24 1HB ALA 24 10.775 27.780 8.535 614 2HB ALA 24 2HB ALA 24 9.551 28.748 9.354 615 3HB ALA 24 3HB ALA 24 10.214 29.286 7.812 616 H THR 25 H THR 25 8.638 28.919 5.467 617 HA THR 25 HA THR 25 6.759 30.900 6.163 618 HB THR 25 HB THR 25 7.716 29.828 3.512 619 HG1 THR 25 HG1 THR 25 9.038 31.512 3.572 620 1HG2 THR 25 1HG2 THR 25 5.420 31.496 3.935 621 2HG2 THR 25 2HG2 THR 25 6.083 30.846 2.432 622 3HG2 THR 25 3HG2 THR 25 6.688 32.376 3.079 623 H PHE 26 H PHE 26 6.420 27.749 4.620 624 HA PHE 26 HA PHE 26 3.667 27.974 3.999 625 1HB PHE 26 1HB PHE 26 5.320 26.244 3.104 626 2HB PHE 26 2HB PHE 26 5.073 25.378 4.619 627 HD1 PHE 26 HD1 PHE 26 3.268 26.748 1.681 628 HD2 PHE 26 HD2 PHE 26 3.268 23.932 4.870 629 HE1 PHE 26 HE1 PHE 26 1.254 25.691 0.741 630 HE2 PHE 26 HE2 PHE 26 1.256 22.867 3.935 631 HZ PHE 26 HZ PHE 26 0.246 23.746 1.869 632 H GLU 27 H GLU 27 5.372 26.555 6.769 633 HA GLU 27 HA GLU 27 3.166 25.575 8.155 634 1HB GLU 27 1HB GLU 27 5.762 26.677 9.241 635 2HB GLU 27 2HB GLU 27 4.606 25.736 10.174 636 1HG GLU 27 1HG GLU 27 4.969 23.813 8.787 637 2HG GLU 27 2HG GLU 27 5.997 24.743 7.697 638 H LYS 28 H LYS 28 4.742 28.756 8.446 639 HA LYS 28 HA LYS 28 3.000 29.719 10.446 640 1HB LYS 28 1HB LYS 28 5.301 30.603 9.811 641 2HB LYS 28 2HB LYS 28 4.504 31.441 8.485 642 1HG LYS 28 1HG LYS 28 3.219 32.761 9.985 643 2HG LYS 28 2HG LYS 28 3.720 31.787 11.368 644 1HD LYS 28 1HD LYS 28 5.052 33.699 11.518 645 2HD LYS 28 2HD LYS 28 6.107 32.509 10.755 646 1HE LYS 28 1HE LYS 28 5.715 33.466 8.589 647 2HE LYS 28 2HE LYS 28 4.482 34.546 9.239 648 1HZ LYS 28 1HZ LYS 28 6.173 35.675 10.521 649 2HZ LYS 28 2HZ LYS 28 6.605 35.672 8.886 650 3HZ LYS 28 3HZ LYS 28 7.364 34.610 9.961 651 H VAL 29 H VAL 29 2.985 30.181 6.902 652 HA VAL 29 HA VAL 29 0.814 31.963 6.832 653 HB VAL 29 HB VAL 29 1.707 30.017 4.704 654 1HG1 VAL 29 1HG1 VAL 29 -0.578 30.892 4.358 655 2HG1 VAL 29 2HG1 VAL 29 0.560 31.454 3.131 656 3HG1 VAL 29 3HG1 VAL 29 0.066 32.533 4.434 657 1HG2 VAL 29 1HG2 VAL 29 3.296 31.493 4.046 658 2HG2 VAL 29 2HG2 VAL 29 3.244 31.941 5.750 659 3HG2 VAL 29 3HG2 VAL 29 2.363 32.896 4.560 660 H VAL 30 H VAL 30 0.939 28.432 6.615 661 HA VAL 30 HA VAL 30 -1.834 28.125 6.073 662 HB VAL 30 HB VAL 30 0.046 26.062 7.228 663 1HG1 VAL 30 1HG1 VAL 30 -1.502 24.426 6.461 664 2HG1 VAL 30 2HG1 VAL 30 -2.460 25.637 5.611 665 3HG1 VAL 30 3HG1 VAL 30 -2.428 25.615 7.374 666 1HG2 VAL 30 1HG2 VAL 30 -0.658 26.091 4.352 667 2HG2 VAL 30 2HG2 VAL 30 0.835 25.593 5.150 668 3HG2 VAL 30 3HG2 VAL 30 0.491 27.307 4.911 669 H LYS 31 H LYS 31 0.066 27.869 9.100 670 HA LYS 31 HA LYS 31 -2.097 27.076 10.710 671 1HB LYS 31 1HB LYS 31 0.438 27.062 11.205 672 2HB LYS 31 2HB LYS 31 0.215 28.739 11.685 673 1HG LYS 31 1HG LYS 31 -1.672 26.842 12.893 674 2HG LYS 31 2HG LYS 31 0.019 26.627 13.354 675 1HD LYS 31 1HD LYS 31 0.017 29.159 13.781 676 2HD LYS 31 2HD LYS 31 -1.744 29.029 13.729 677 1HE LYS 31 1HE LYS 31 -1.716 27.439 15.547 678 2HE LYS 31 2HE LYS 31 0.047 27.425 15.552 679 1HZ LYS 31 1HZ LYS 31 -1.203 28.876 17.252 680 2HZ LYS 31 2HZ LYS 31 -1.408 29.951 15.965 681 3HZ LYS 31 3HZ LYS 31 0.149 29.522 16.467 682 H GLN 32 H GLN 32 -0.727 30.265 9.990 683 HA GLN 32 HA GLN 32 -2.471 31.732 11.657 684 1HB GLN 32 1HB GLN 32 -0.264 32.494 10.616 685 2HB GLN 32 2HB GLN 32 -1.185 32.797 9.148 686 1HG GLN 32 1HG GLN 32 -0.988 34.851 10.317 687 2HG GLN 32 2HG GLN 32 -2.659 34.308 10.471 688 1HE2 GLN 32 1HE2 GLN 32 -3.166 35.325 12.339 689 2HE2 GLN 32 2HE2 GLN 32 -2.419 34.986 13.860 690 H PHE 33 H PHE 33 -2.649 30.849 8.203 691 HA PHE 33 HA PHE 33 -4.980 32.340 7.665 692 1HB PHE 33 1HB PHE 33 -3.748 31.887 5.788 693 2HB PHE 33 2HB PHE 33 -3.372 30.249 6.290 694 HD1 PHE 33 HD1 PHE 33 -6.520 32.148 5.489 695 HD2 PHE 33 HD2 PHE 33 -4.128 28.679 4.888 696 HE1 PHE 33 HE1 PHE 33 -8.195 31.265 3.908 697 HE2 PHE 33 HE2 PHE 33 -5.800 27.786 3.321 698 HZ PHE 33 HZ PHE 33 -7.836 29.074 2.828 699 H PHE 34 H PHE 34 -4.519 28.882 8.397 700 HA PHE 34 HA PHE 34 -7.338 28.410 8.258 701 1HB PHE 34 1HB PHE 34 -4.968 26.705 8.848 702 2HB PHE 34 2HB PHE 34 -6.585 26.117 9.258 703 HD1 PHE 34 HD1 PHE 34 -4.184 26.437 6.660 704 HD2 PHE 34 HD2 PHE 34 -8.370 26.306 7.419 705 HE1 PHE 34 HE1 PHE 34 -4.596 25.880 4.296 706 HE2 PHE 34 HE2 PHE 34 -8.788 25.741 5.065 707 HZ PHE 34 HZ PHE 34 -6.907 25.538 3.494 708 H ASN 35 H ASN 35 -5.133 29.148 10.882 709 HA ASN 35 HA ASN 35 -6.679 28.258 13.032 710 1HB ASN 35 1HB ASN 35 -4.696 30.483 12.729 711 2HB ASN 35 2HB ASN 35 -5.632 30.364 14.214 712 1HD2 ASN 35 1HD2 ASN 35 -4.702 27.521 12.404 713 2HD2 ASN 35 2HD2 ASN 35 -3.537 26.949 13.539 714 H ASP 36 H ASP 36 -7.099 31.006 10.948 715 HA ASP 36 HA ASP 36 -8.889 32.514 12.498 716 1HB ASP 36 1HB ASP 36 -8.711 32.305 9.485 717 2HB ASP 36 2HB ASP 36 -9.539 33.577 10.378 718 H ASN 37 H ASN 37 -9.318 29.520 10.918 719 HA ASN 37 HA ASN 37 -12.244 29.813 10.908 720 1HB ASN 37 1HB ASN 37 -10.801 27.411 9.833 721 2HB ASN 37 2HB ASN 37 -12.390 28.025 9.404 722 1HD2 ASN 37 1HD2 ASN 37 -9.256 27.771 8.445 723 2HD2 ASN 37 2HD2 ASN 37 -9.218 29.031 7.262 724 H GLY 38 H GLY 38 -9.688 28.327 12.672 725 1HA GLY 38 1HA GLY 38 -10.486 27.624 14.938 726 2HA GLY 38 2HA GLY 38 -11.676 26.658 14.085 727 H VAL 39 H VAL 39 -8.584 26.777 12.606 728 HA VAL 39 HA VAL 39 -8.157 23.982 13.278 729 HB VAL 39 HB VAL 39 -6.512 25.738 11.451 730 1HG1 VAL 39 1HG1 VAL 39 -5.885 23.502 10.468 731 2HG1 VAL 39 2HG1 VAL 39 -6.633 22.761 11.882 732 3HG1 VAL 39 3HG1 VAL 39 -5.246 23.831 12.078 733 1HG2 VAL 39 1HG2 VAL 39 -7.773 24.517 9.637 734 2HG2 VAL 39 2HG2 VAL 39 -8.697 25.716 10.542 735 3HG2 VAL 39 3HG2 VAL 39 -8.902 24.000 10.890 736 H ASP 40 H ASP 40 -6.379 23.176 14.389 737 HA ASP 40 HA ASP 40 -4.323 24.990 15.324 738 1HB ASP 40 1HB ASP 40 -6.087 23.546 17.312 739 2HB ASP 40 2HB ASP 40 -4.710 24.578 17.692 740 H GLY 41 H GLY 41 -3.018 23.602 17.139 741 1HA GLY 41 1HA GLY 41 -2.333 21.294 17.644 742 2HA GLY 41 2HA GLY 41 -2.610 20.929 15.948 743 H GLU 42 H GLU 42 -0.552 20.226 15.487 744 HA GLU 42 HA GLU 42 1.419 22.327 15.144 745 1HB GLU 42 1HB GLU 42 1.944 19.888 16.848 746 2HB GLU 42 2HB GLU 42 3.213 20.925 16.211 747 1HG GLU 42 1HG GLU 42 2.241 22.827 17.429 748 2HG GLU 42 2HG GLU 42 1.022 21.747 18.104 749 H TRP 43 H TRP 43 3.215 21.671 13.775 750 HA TRP 43 HA TRP 43 2.332 20.003 11.633 751 1HB TRP 43 1HB TRP 43 4.855 21.544 12.179 752 2HB TRP 43 2HB TRP 43 4.731 20.464 10.793 753 HD1 TRP 43 HD1 TRP 43 3.710 23.880 12.001 754 HE1 TRP 43 HE1 TRP 43 2.447 25.113 10.133 755 HE3 TRP 43 HE3 TRP 43 3.075 19.986 8.752 756 HZ2 TRP 43 HZ2 TRP 43 1.322 24.512 7.608 757 HZ3 TRP 43 HZ3 TRP 43 1.895 20.398 6.633 758 HH2 TRP 43 HH2 TRP 43 1.037 22.614 6.074 759 H THR 44 H THR 44 2.458 17.903 11.527 760 HA THR 44 HA THR 44 4.579 16.533 13.039 761 HB THR 44 HB THR 44 3.105 14.594 13.142 762 HG1 THR 44 HG1 THR 44 1.559 14.431 11.761 763 1HG2 THR 44 1HG2 THR 44 2.845 16.389 14.864 764 2HG2 THR 44 2HG2 THR 44 1.432 15.358 14.626 765 3HG2 THR 44 3HG2 THR 44 1.467 16.981 13.933 766 H TYR 45 H TYR 45 5.843 15.078 12.038 767 HA TYR 45 HA TYR 45 6.110 15.257 9.205 768 1HB TYR 45 1HB TYR 45 7.503 13.687 11.352 769 2HB TYR 45 2HB TYR 45 7.809 13.330 9.655 770 HD1 TYR 45 HD1 TYR 45 8.424 15.622 12.392 771 HD2 TYR 45 HD2 TYR 45 8.796 15.081 8.188 772 HE1 TYR 45 HE1 TYR 45 10.054 17.461 12.305 773 HE2 TYR 45 HE2 TYR 45 10.428 16.918 8.089 774 HH TYR 45 HH TYR 45 11.005 18.941 9.442 775 H ASP 46 H ASP 46 5.696 13.743 7.623 776 HA ASP 46 HA ASP 46 3.485 12.004 8.089 777 1HB ASP 46 1HB ASP 46 5.237 12.603 5.723 778 2HB ASP 46 2HB ASP 46 4.092 11.268 5.663 779 H ASP 47 H ASP 47 3.456 9.693 7.641 780 HA ASP 47 HA ASP 47 5.484 8.299 9.032 781 1HB ASP 47 1HB ASP 47 4.284 6.251 8.264 782 2HB ASP 47 2HB ASP 47 3.224 7.442 9.014 783 H ALA 48 H ALA 48 7.291 7.301 8.362 784 HA ALA 48 HA ALA 48 8.505 7.902 5.952 785 1HB ALA 48 1HB ALA 48 9.006 5.773 7.995 786 2HB ALA 48 2HB ALA 48 9.935 7.232 7.652 787 3HB ALA 48 3HB ALA 48 9.982 5.873 6.529 788 H THR 49 H THR 49 8.737 6.927 4.009 789 HA THR 49 HA THR 49 7.322 4.407 3.504 790 HB THR 49 HB THR 49 7.112 6.817 1.690 791 HG1 THR 49 HG1 THR 49 5.779 7.430 3.216 792 1HG2 THR 49 1HG2 THR 49 5.580 4.228 1.705 793 2HG2 THR 49 2HG2 THR 49 6.808 4.701 0.530 794 3HG2 THR 49 3HG2 THR 49 5.294 5.600 0.634 795 H LYS 50 H LYS 50 8.046 3.301 1.559 796 HA LYS 50 HA LYS 50 10.705 4.193 0.651 797 1HB LYS 50 1HB LYS 50 9.809 1.513 1.635 798 2HB LYS 50 2HB LYS 50 11.072 1.599 0.412 799 1HG LYS 50 1HG LYS 50 12.351 3.096 1.936 800 2HG LYS 50 2HG LYS 50 11.125 2.801 3.171 801 1HD LYS 50 1HD LYS 50 12.359 0.441 1.857 802 2HD LYS 50 2HD LYS 50 13.348 1.350 3.002 803 1HE LYS 50 1HE LYS 50 11.146 1.165 4.469 804 2HE LYS 50 2HE LYS 50 10.893 -0.259 3.460 805 1HZ LYS 50 1HZ LYS 50 12.163 -0.534 5.642 806 2HZ LYS 50 2HZ LYS 50 13.465 0.185 4.837 807 3HZ LYS 50 3HZ LYS 50 12.810 -1.262 4.258 808 H THR 51 H THR 51 10.846 4.468 -1.460 809 HA THR 51 HA THR 51 8.882 3.140 -3.204 810 HB THR 51 HB THR 51 10.384 5.748 -3.489 811 HG1 THR 51 HG1 THR 51 8.329 6.605 -3.474 812 1HG2 THR 51 1HG2 THR 51 8.715 4.334 -5.554 813 2HG2 THR 51 2HG2 THR 51 10.389 4.868 -5.698 814 3HG2 THR 51 3HG2 THR 51 9.091 6.056 -5.599 815 H PHE 52 H PHE 52 9.573 1.791 -4.787 816 HA PHE 52 HA PHE 52 12.359 1.050 -4.811 817 1HB PHE 52 1HB PHE 52 10.418 -0.580 -4.975 818 2HB PHE 52 2HB PHE 52 10.194 -0.013 -6.627 819 HD1 PHE 52 HD1 PHE 52 12.562 -1.695 -4.344 820 HD2 PHE 52 HD2 PHE 52 11.559 -0.790 -8.379 821 HE1 PHE 52 HE1 PHE 52 14.257 -3.301 -5.121 822 HE2 PHE 52 HE2 PHE 52 13.252 -2.396 -9.163 823 HZ PHE 52 HZ PHE 52 14.603 -3.653 -7.534 824 H THR 53 H THR 53 13.837 1.990 -6.042 825 HA THR 53 HA THR 53 13.004 3.534 -8.373 826 HB THR 53 HB THR 53 15.705 3.285 -7.028 827 HG1 THR 53 HG1 THR 53 13.757 5.344 -6.951 828 1HG2 THR 53 1HG2 THR 53 14.780 5.064 -9.262 829 2HG2 THR 53 2HG2 THR 53 16.150 3.954 -9.245 830 3HG2 THR 53 3HG2 THR 53 16.188 5.418 -8.261 831 H VAL 54 H VAL 54 13.019 2.642 -10.335 832 HA VAL 54 HA VAL 54 14.140 0.069 -10.817 833 HB VAL 54 HB VAL 54 13.310 1.987 -12.979 834 1HG1 VAL 54 1HG1 VAL 54 13.626 -0.966 -12.722 835 2HG1 VAL 54 2HG1 VAL 54 14.173 0.117 -14.001 836 3HG1 VAL 54 3HG1 VAL 54 12.467 -0.312 -13.879 837 1HG2 VAL 54 1HG2 VAL 54 11.573 0.384 -11.123 838 2HG2 VAL 54 2HG2 VAL 54 11.027 0.878 -12.726 839 3HG2 VAL 54 3HG2 VAL 54 11.461 2.097 -11.527 840 H THR 55 H THR 55 15.770 -0.467 -12.386 841 HA THR 55 HA THR 55 17.601 1.651 -13.167 842 HB THR 55 HB THR 55 18.432 -0.646 -11.394 843 HG1 THR 55 HG1 THR 55 18.435 2.164 -11.042 844 1HG2 THR 55 1HG2 THR 55 20.597 0.964 -11.518 845 2HG2 THR 55 2HG2 THR 55 20.018 1.046 -13.181 846 3HG2 THR 55 3HG2 THR 55 20.396 -0.516 -12.455 847 H GLU 56 H GLU 56 18.293 -1.807 -12.932 848 HA GLU 56 HA GLU 56 17.513 -2.569 -15.500 849 1HB GLU 56 1HB GLU 56 19.850 -2.675 -16.532 850 2HB GLU 56 2HB GLU 56 19.058 -1.106 -16.496 851 1HG GLU 56 1HG GLU 56 20.442 -0.306 -14.814 852 2HG GLU 56 2HG GLU 56 20.931 -1.924 -14.315 853 1H MET 1 1H MET 1 4.617 0.544 8.618 854 2H MET 1 2H MET 1 6.059 -0.261 9.087 855 3H MET 1 3H MET 1 5.006 -0.980 7.940 856 HA MET 1 HA MET 1 6.326 1.607 7.519 857 1HB MET 1 1HB MET 1 7.290 -1.200 7.159 858 2HB MET 1 2HB MET 1 7.751 0.003 5.963 859 1HG MET 1 1HG MET 1 8.135 0.798 8.766 860 2HG MET 1 2HG MET 1 9.149 -0.529 8.201 861 1HE MET 1 1HE MET 1 7.741 2.110 5.816 862 2HE MET 1 2HE MET 1 8.984 3.359 5.750 863 3HE MET 1 3HE MET 1 7.980 3.191 7.192 864 H GLN 2 H GLN 2 5.675 2.561 5.704 865 HA GLN 2 HA GLN 2 3.659 1.226 4.079 866 1HB GLN 2 1HB GLN 2 3.602 3.680 5.000 867 2HB GLN 2 2HB GLN 2 4.598 4.028 3.595 868 1HG GLN 2 1HG GLN 2 2.909 3.504 2.103 869 2HG GLN 2 2HG GLN 2 2.026 2.543 3.288 870 1HE2 GLN 2 1HE2 GLN 2 3.320 5.848 3.275 871 2HE2 GLN 2 2HE2 GLN 2 1.830 6.616 3.691 872 H TYR 3 H TYR 3 4.097 0.294 2.192 873 HA TYR 3 HA TYR 3 6.661 0.931 0.905 874 1HB TYR 3 1HB TYR 3 5.058 -1.593 1.067 875 2HB TYR 3 2HB TYR 3 6.177 -1.347 -0.270 876 HD1 TYR 3 HD1 TYR 3 5.849 -2.141 3.249 877 HD2 TYR 3 HD2 TYR 3 8.603 -1.047 0.197 878 HE1 TYR 3 HE1 TYR 3 7.712 -2.895 4.667 879 HE2 TYR 3 HE2 TYR 3 10.472 -1.799 1.605 880 HH TYR 3 HH TYR 3 10.709 -2.049 4.369 881 H LYS 4 H LYS 4 6.715 1.797 -0.995 882 HA LYS 4 HA LYS 4 4.211 2.078 -2.521 883 1HB LYS 4 1HB LYS 4 6.565 3.835 -2.105 884 2HB LYS 4 2HB LYS 4 5.822 3.882 -3.696 885 1HG LYS 4 1HG LYS 4 3.612 4.214 -2.409 886 2HG LYS 4 2HG LYS 4 4.655 4.636 -1.049 887 1HD LYS 4 1HD LYS 4 5.794 6.192 -2.851 888 2HD LYS 4 2HD LYS 4 4.215 6.061 -3.630 889 1HE LYS 4 1HE LYS 4 3.358 6.619 -1.198 890 2HE LYS 4 2HE LYS 4 4.966 7.325 -1.039 891 1HZ LYS 4 1HZ LYS 4 3.299 8.935 -1.790 892 2HZ LYS 4 2HZ LYS 4 3.016 8.005 -3.175 893 3HZ LYS 4 3HZ LYS 4 4.528 8.724 -2.934 894 H VAL 5 H VAL 5 3.994 1.127 -4.439 895 HA VAL 5 HA VAL 5 6.374 0.423 -5.993 896 HB VAL 5 HB VAL 5 4.193 -1.598 -5.485 897 1HG1 VAL 5 1HG1 VAL 5 6.948 -2.129 -6.536 898 2HG1 VAL 5 2HG1 VAL 5 5.643 -1.619 -7.609 899 3HG1 VAL 5 3HG1 VAL 5 5.492 -3.113 -6.686 900 1HG2 VAL 5 1HG2 VAL 5 5.353 -1.220 -3.396 901 2HG2 VAL 5 2HG2 VAL 5 6.913 -1.387 -4.199 902 3HG2 VAL 5 3HG2 VAL 5 5.835 -2.777 -4.067 903 H ILE 6 H ILE 6 6.108 1.012 -8.058 904 HA ILE 6 HA ILE 6 3.408 1.615 -9.011 905 HB ILE 6 HB ILE 6 5.996 2.230 -10.423 906 1HG1 ILE 6 1HG1 ILE 6 4.460 4.051 -8.557 907 2HG1 ILE 6 2HG1 ILE 6 5.950 3.218 -8.125 908 1HG2 ILE 6 1HG2 ILE 6 4.579 4.032 -11.435 909 2HG2 ILE 6 2HG2 ILE 6 3.183 3.274 -10.665 910 3HG2 ILE 6 3HG2 ILE 6 4.118 2.385 -11.872 911 1HD1 ILE 6 1HD1 ILE 6 6.085 5.665 -8.868 912 2HD1 ILE 6 2HD1 ILE 6 5.834 5.036 -10.498 913 3HD1 ILE 6 3HD1 ILE 6 7.236 4.517 -9.558 914 H LEU 7 H LEU 7 2.370 0.134 -10.168 915 HA LEU 7 HA LEU 7 3.936 -1.800 -11.744 916 1HB LEU 7 1HB LEU 7 1.428 -1.982 -10.203 917 2HB LEU 7 2HB LEU 7 1.397 -2.793 -11.757 918 HG LEU 7 HG LEU 7 3.770 -3.680 -10.715 919 1HD1 LEU 7 1HD1 LEU 7 3.531 -4.217 -8.440 920 2HD1 LEU 7 2HD1 LEU 7 1.833 -3.744 -8.422 921 3HD1 LEU 7 3HD1 LEU 7 3.089 -2.515 -8.567 922 1HD2 LEU 7 1HD2 LEU 7 2.491 -5.306 -11.678 923 2HD2 LEU 7 2HD2 LEU 7 1.008 -4.760 -10.895 924 3HD2 LEU 7 3HD2 LEU 7 2.200 -5.684 -9.978 925 H ASN 8 H ASN 8 3.893 -1.622 -13.910 926 HA ASN 8 HA ASN 8 1.532 -0.534 -15.219 927 1HB ASN 8 1HB ASN 8 3.247 1.329 -14.610 928 2HB ASN 8 2HB ASN 8 4.176 0.676 -15.957 929 1HD2 ASN 8 1HD2 ASN 8 0.989 1.916 -15.084 930 2HD2 ASN 8 2HD2 ASN 8 0.634 2.597 -16.630 931 H GLY 9 H GLY 9 1.114 -2.274 -16.449 932 1HA GLY 9 1HA GLY 9 3.257 -3.649 -17.854 933 2HA GLY 9 2HA GLY 9 1.554 -4.096 -17.848 934 H LYS 10 H LYS 10 0.460 -1.630 -18.636 935 HA LYS 10 HA LYS 10 0.703 -1.821 -21.446 936 1HB LYS 10 1HB LYS 10 -1.324 -1.030 -20.189 937 2HB LYS 10 2HB LYS 10 -0.471 0.475 -19.870 938 1HG LYS 10 1HG LYS 10 -0.349 0.942 -22.246 939 2HG LYS 10 2HG LYS 10 -1.134 -0.597 -22.604 940 1HD LYS 10 1HD LYS 10 -2.816 1.073 -22.740 941 2HD LYS 10 2HD LYS 10 -3.086 0.205 -21.229 942 1HE LYS 10 1HE LYS 10 -1.356 2.253 -20.530 943 2HE LYS 10 2HE LYS 10 -2.462 3.001 -21.682 944 1HZ LYS 10 1HZ LYS 10 -3.699 3.263 -19.834 945 2HZ LYS 10 2HZ LYS 10 -2.982 1.968 -19.015 946 3HZ LYS 10 3HZ LYS 10 -4.185 1.676 -20.168 947 H THR 11 H THR 11 2.831 -1.488 -22.063 948 HA THR 11 HA THR 11 3.626 1.295 -22.229 949 HB THR 11 HB THR 11 6.037 0.371 -21.521 950 HG1 THR 11 HG1 THR 11 5.945 -1.204 -20.062 951 1HG2 THR 11 1HG2 THR 11 5.885 1.697 -19.725 952 2HG2 THR 11 2HG2 THR 11 4.418 0.913 -19.138 953 3HG2 THR 11 3HG2 THR 11 4.320 2.131 -20.411 954 H LEU 12 H LEU 12 3.228 0.962 -24.448 955 HA LEU 12 HA LEU 12 3.808 0.547 -26.603 956 1HB LEU 12 1HB LEU 12 6.457 0.140 -25.241 957 2HB LEU 12 2HB LEU 12 6.276 -0.060 -26.974 958 HG LEU 12 HG LEU 12 7.139 2.160 -26.405 959 1HD1 LEU 12 1HD1 LEU 12 5.835 3.342 -27.910 960 2HD1 LEU 12 2HD1 LEU 12 4.339 2.582 -27.368 961 3HD1 LEU 12 3HD1 LEU 12 5.492 1.666 -28.338 962 1HD2 LEU 12 1HD2 LEU 12 5.791 2.167 -24.196 963 2HD2 LEU 12 2HD2 LEU 12 4.497 2.845 -25.181 964 3HD2 LEU 12 3HD2 LEU 12 6.040 3.687 -25.052 965 H LYS 13 H LYS 13 4.866 -1.216 -28.073 966 HA LYS 13 HA LYS 13 3.884 -3.792 -27.076 967 1HB LYS 13 1HB LYS 13 3.892 -4.426 -29.511 968 2HB LYS 13 2HB LYS 13 2.786 -3.126 -29.084 969 1HG LYS 13 1HG LYS 13 4.305 -1.480 -29.973 970 2HG LYS 13 2HG LYS 13 5.516 -2.723 -30.290 971 1HD LYS 13 1HD LYS 13 3.978 -3.798 -31.874 972 2HD LYS 13 2HD LYS 13 2.785 -2.535 -31.566 973 1HE LYS 13 1HE LYS 13 5.462 -1.583 -32.330 974 2HE LYS 13 2HE LYS 13 4.598 -2.476 -33.580 975 1HZ LYS 13 1HZ LYS 13 2.664 -0.932 -33.018 976 2HZ LYS 13 2HZ LYS 13 3.954 -0.282 -33.898 977 3HZ LYS 13 3HZ LYS 13 3.815 0.036 -32.242 978 H GLY 14 H GLY 14 6.095 -3.623 -25.870 979 1HA GLY 14 1HA GLY 14 8.360 -4.427 -27.516 980 2HA GLY 14 2HA GLY 14 8.386 -4.113 -25.788 981 H GLU 15 H GLU 15 6.647 -5.776 -24.692 982 HA GLU 15 HA GLU 15 6.580 -8.397 -25.740 983 1HB GLU 15 1HB GLU 15 8.156 -9.418 -24.042 984 2HB GLU 15 2HB GLU 15 8.916 -8.543 -25.365 985 1HG GLU 15 1HG GLU 15 9.096 -6.568 -23.844 986 2HG GLU 15 2HG GLU 15 8.537 -7.609 -22.532 987 H THR 16 H THR 16 5.074 -9.555 -24.692 988 HA THR 16 HA THR 16 4.352 -8.782 -21.951 989 HB THR 16 HB THR 16 2.274 -9.400 -24.048 990 HG1 THR 16 HG1 THR 16 3.166 -7.529 -24.763 991 1HG2 THR 16 1HG2 THR 16 2.214 -8.640 -21.224 992 2HG2 THR 16 2HG2 THR 16 1.014 -9.479 -22.206 993 3HG2 THR 16 3HG2 THR 16 1.128 -7.721 -22.265 994 H THR 17 H THR 17 3.615 -11.134 -24.525 995 HA THR 17 HA THR 17 3.535 -13.404 -24.535 996 HB THR 17 HB THR 17 4.714 -13.493 -21.774 997 HG1 THR 17 HG1 THR 17 6.582 -12.802 -22.475 998 1HG2 THR 17 1HG2 THR 17 5.518 -15.541 -22.308 999 2HG2 THR 17 2HG2 THR 17 5.664 -15.162 -24.026 1000 3HG2 THR 17 3HG2 THR 17 4.082 -15.531 -23.335 1001 H THR 18 H THR 18 3.041 -12.585 -21.092 1002 HA THR 18 HA THR 18 0.253 -13.363 -21.285 1003 HB THR 18 HB THR 18 1.141 -15.522 -20.866 1004 HG1 THR 18 HG1 THR 18 -0.538 -15.235 -19.495 1005 1HG2 THR 18 1HG2 THR 18 2.748 -16.097 -19.237 1006 2HG2 THR 18 2HG2 THR 18 2.726 -14.477 -18.541 1007 3HG2 THR 18 3HG2 THR 18 3.410 -14.739 -20.144 1008 H GLU 19 H GLU 19 2.901 -12.549 -19.060 1009 HA GLU 19 HA GLU 19 1.131 -10.571 -17.807 1010 1HB GLU 19 1HB GLU 19 2.009 -11.168 -15.587 1011 2HB GLU 19 2HB GLU 19 1.146 -12.509 -16.332 1012 1HG GLU 19 1HG GLU 19 3.506 -13.239 -17.130 1013 2HG GLU 19 2HG GLU 19 4.069 -12.181 -15.839 1014 H ALA 20 H ALA 20 2.090 -8.680 -17.206 1015 HA ALA 20 HA ALA 20 4.969 -8.411 -17.162 1016 1HB ALA 20 1HB ALA 20 3.991 -8.183 -19.609 1017 2HB ALA 20 2HB ALA 20 5.296 -7.144 -19.034 1018 3HB ALA 20 3HB ALA 20 3.638 -6.545 -19.055 1019 H VAL 21 H VAL 21 4.230 -7.925 -14.966 1020 HA VAL 21 HA VAL 21 3.720 -6.522 -13.244 1021 HB VAL 21 HB VAL 21 4.484 -4.337 -15.182 1022 1HG1 VAL 21 1HG1 VAL 21 4.839 -4.473 -12.194 1023 2HG1 VAL 21 2HG1 VAL 21 3.486 -3.670 -12.990 1024 3HG1 VAL 21 3HG1 VAL 21 5.131 -3.092 -13.249 1025 1HG2 VAL 21 1HG2 VAL 21 6.241 -6.126 -13.505 1026 2HG2 VAL 21 2HG2 VAL 21 6.790 -4.666 -14.328 1027 3HG2 VAL 21 3HG2 VAL 21 6.191 -6.034 -15.265 1028 H ASP 22 H ASP 22 1.436 -7.224 -13.780 1029 HA ASP 22 HA ASP 22 -0.224 -5.005 -14.764 1030 1HB ASP 22 1HB ASP 22 -0.512 -7.262 -15.790 1031 2HB ASP 22 2HB ASP 22 -1.039 -7.864 -14.221 1032 H ALA 23 H ALA 23 -1.857 -4.134 -13.624 1033 HA ALA 23 HA ALA 23 -1.612 -3.727 -10.921 1034 1HB ALA 23 1HB ALA 23 -3.271 -2.859 -12.960 1035 2HB ALA 23 2HB ALA 23 -3.250 -2.270 -11.296 1036 3HB ALA 23 3HB ALA 23 -4.374 -3.547 -11.766 1037 H ALA 24 H ALA 24 -3.712 -6.081 -12.567 1038 HA ALA 24 HA ALA 24 -4.945 -7.075 -10.224 1039 1HB ALA 24 1HB ALA 24 -5.766 -7.344 -12.594 1040 2HB ALA 24 2HB ALA 24 -5.842 -8.792 -11.587 1041 3HB ALA 24 3HB ALA 24 -4.553 -8.613 -12.780 1042 H THR 25 H THR 25 -1.964 -7.853 -11.874 1043 HA THR 25 HA THR 25 -1.438 -10.340 -10.659 1044 HB THR 25 HB THR 25 0.345 -8.236 -11.885 1045 HG1 THR 25 HG1 THR 25 0.214 -9.475 -13.625 1046 1HG2 THR 25 1HG2 THR 25 1.200 -10.446 -10.263 1047 2HG2 THR 25 2HG2 THR 25 2.153 -9.185 -11.049 1048 3HG2 THR 25 3HG2 THR 25 1.725 -10.650 -11.935 1049 H PHE 26 H PHE 26 -0.682 -7.030 -9.706 1050 HA PHE 26 HA PHE 26 0.926 -7.681 -7.470 1051 1HB PHE 26 1HB PHE 26 0.719 -5.408 -8.617 1052 2HB PHE 26 2HB PHE 26 -0.766 -5.195 -7.692 1053 HD1 PHE 26 HD1 PHE 26 2.863 -5.875 -7.320 1054 HD2 PHE 26 HD2 PHE 26 -0.691 -4.392 -5.510 1055 HE1 PHE 26 HE1 PHE 26 4.180 -5.073 -5.403 1056 HE2 PHE 26 HE2 PHE 26 0.620 -3.584 -3.589 1057 HZ PHE 26 HZ PHE 26 3.059 -3.925 -3.535 1058 H GLU 27 H GLU 27 -2.527 -6.926 -7.775 1059 HA GLU 27 HA GLU 27 -3.213 -7.030 -5.080 1060 1HB GLU 27 1HB GLU 27 -4.862 -7.781 -7.497 1061 2HB GLU 27 2HB GLU 27 -5.513 -7.525 -5.884 1062 1HG GLU 27 1HG GLU 27 -4.871 -5.215 -5.930 1063 2HG GLU 27 2HG GLU 27 -4.028 -5.438 -7.462 1064 H LYS 28 H LYS 28 -3.276 -9.648 -7.492 1065 HA LYS 28 HA LYS 28 -4.214 -11.620 -5.705 1066 1HB LYS 28 1HB LYS 28 -4.252 -11.653 -8.254 1067 2HB LYS 28 2HB LYS 28 -2.575 -12.170 -8.168 1068 1HG LYS 28 1HG LYS 28 -3.163 -14.181 -7.050 1069 2HG LYS 28 2HG LYS 28 -4.821 -13.630 -6.807 1070 1HD LYS 28 1HD LYS 28 -4.972 -15.109 -8.613 1071 2HD LYS 28 2HD LYS 28 -4.952 -13.512 -9.367 1072 1HE LYS 28 1HE LYS 28 -2.633 -13.740 -9.926 1073 2HE LYS 28 2HE LYS 28 -2.506 -15.235 -8.998 1074 1HZ LYS 28 1HZ LYS 28 -4.014 -16.294 -10.552 1075 2HZ LYS 28 2HZ LYS 28 -2.680 -15.659 -11.376 1076 3HZ LYS 28 3HZ LYS 28 -4.170 -14.857 -11.432 1077 H VAL 29 H VAL 29 -0.907 -10.836 -6.808 1078 HA VAL 29 HA VAL 29 0.371 -12.953 -5.473 1079 HB VAL 29 HB VAL 29 1.493 -10.243 -6.198 1080 1HG1 VAL 29 1HG1 VAL 29 2.844 -11.467 -4.528 1081 2HG1 VAL 29 2HG1 VAL 29 3.672 -11.284 -6.075 1082 3HG1 VAL 29 3HG1 VAL 29 2.943 -12.830 -5.644 1083 1HG2 VAL 29 1HG2 VAL 29 1.870 -10.982 -8.306 1084 2HG2 VAL 29 2HG2 VAL 29 0.462 -11.982 -7.949 1085 3HG2 VAL 29 3HG2 VAL 29 2.083 -12.659 -7.800 1086 H VAL 30 H VAL 30 -0.331 -9.635 -4.451 1087 HA VAL 30 HA VAL 30 1.084 -9.833 -1.995 1088 HB VAL 30 HB VAL 30 -1.135 -7.901 -2.680 1089 1HG1 VAL 30 1HG1 VAL 30 -0.273 -6.518 -0.943 1090 2HG1 VAL 30 2HG1 VAL 30 1.122 -7.569 -0.713 1091 3HG1 VAL 30 3HG1 VAL 30 -0.487 -8.129 -0.261 1092 1HG2 VAL 30 1HG2 VAL 30 1.718 -7.120 -2.835 1093 2HG2 VAL 30 2HG2 VAL 30 0.340 -6.579 -3.795 1094 3HG2 VAL 30 3HG2 VAL 30 1.091 -8.140 -4.131 1095 H LYS 31 H LYS 31 -2.391 -10.171 -2.797 1096 HA LYS 31 HA LYS 31 -3.252 -10.518 -0.145 1097 1HB LYS 31 1HB LYS 31 -4.618 -10.067 -2.288 1098 2HB LYS 31 2HB LYS 31 -4.561 -11.807 -2.526 1099 1HG LYS 31 1HG LYS 31 -5.427 -10.947 0.144 1100 2HG LYS 31 2HG LYS 31 -6.506 -10.505 -1.179 1101 1HD LYS 31 1HD LYS 31 -6.276 -12.950 -1.924 1102 2HD LYS 31 2HD LYS 31 -5.626 -13.238 -0.310 1103 1HE LYS 31 1HE LYS 31 -7.656 -12.411 0.702 1104 2HE LYS 31 2HE LYS 31 -8.300 -11.968 -0.879 1105 1HZ LYS 31 1HZ LYS 31 -9.020 -14.176 0.217 1106 2HZ LYS 31 2HZ LYS 31 -7.533 -14.758 -0.339 1107 3HZ LYS 31 3HZ LYS 31 -8.668 -14.156 -1.438 1108 H GLN 32 H GLN 32 -2.327 -12.844 -2.653 1109 HA GLN 32 HA GLN 32 -2.845 -15.164 -1.127 1110 1HB GLN 32 1HB GLN 32 -2.523 -14.978 -3.653 1111 2HB GLN 32 2HB GLN 32 -0.796 -14.965 -3.329 1112 1HG GLN 32 1HG GLN 32 -1.407 -17.188 -3.879 1113 2HG GLN 32 2HG GLN 32 -1.075 -17.142 -2.148 1114 1HE2 GLN 32 1HE2 GLN 32 -2.321 -18.830 -1.528 1115 2HE2 GLN 32 2HE2 GLN 32 -4.041 -18.871 -1.678 1116 H PHE 33 H PHE 33 0.118 -13.230 -1.604 1117 HA PHE 33 HA PHE 33 1.806 -14.962 -0.154 1118 1HB PHE 33 1HB PHE 33 2.940 -13.616 -1.620 1119 2HB PHE 33 2HB PHE 33 1.956 -12.207 -1.270 1120 HD1 PHE 33 HD1 PHE 33 4.276 -14.410 0.710 1121 HD2 PHE 33 HD2 PHE 33 3.108 -10.482 -0.441 1122 HE1 PHE 33 HE1 PHE 33 6.091 -13.466 2.088 1123 HE2 PHE 33 HE2 PHE 33 4.907 -9.534 0.941 1124 HZ PHE 33 HZ PHE 33 6.401 -11.018 2.208 1125 H PHE 34 H PHE 34 0.146 -11.953 0.798 1126 HA PHE 34 HA PHE 34 1.176 -12.150 3.461 1127 1HB PHE 34 1HB PHE 34 -0.626 -10.236 2.062 1128 2HB PHE 34 2HB PHE 34 -0.551 -10.227 3.828 1129 HD1 PHE 34 HD1 PHE 34 0.992 -9.059 0.852 1130 HD2 PHE 34 HD2 PHE 34 1.798 -10.199 4.872 1131 HE1 PHE 34 HE1 PHE 34 3.132 -7.843 0.768 1132 HE2 PHE 34 HE2 PHE 34 3.931 -8.982 4.799 1133 HZ PHE 34 HZ PHE 34 4.607 -7.809 2.745 1134 H ASN 35 H ASN 35 -1.805 -13.188 1.936 1135 HA ASN 35 HA ASN 35 -3.395 -13.481 4.213 1136 1HB ASN 35 1HB ASN 35 -3.303 -14.926 1.592 1137 2HB ASN 35 2HB ASN 35 -4.330 -15.548 2.880 1138 1HD2 ASN 35 1HD2 ASN 35 -3.724 -12.124 2.512 1139 2HD2 ASN 35 2HD2 ASN 35 -5.307 -11.714 1.964 1140 H ASP 36 H ASP 36 -0.702 -15.369 3.097 1141 HA ASP 36 HA ASP 36 -1.084 -17.696 4.621 1142 1HB ASP 36 1HB ASP 36 1.508 -16.434 3.705 1143 2HB ASP 36 2HB ASP 36 1.323 -18.088 4.278 1144 H ASN 37 H ASN 37 -0.230 -14.536 5.589 1145 HA ASN 37 HA ASN 37 0.908 -15.497 8.125 1146 1HB ASN 37 1HB ASN 37 0.768 -12.601 7.341 1147 2HB ASN 37 2HB ASN 37 1.878 -13.392 8.455 1148 1HD2 ASN 37 1HD2 ASN 37 1.549 -12.094 5.450 1149 2HD2 ASN 37 2HD2 ASN 37 2.909 -12.826 4.673 1150 H GLY 38 H GLY 38 -1.965 -14.141 6.799 1151 1HA GLY 38 1HA GLY 38 -3.890 -14.464 8.367 1152 2HA GLY 38 2HA GLY 38 -2.927 -13.580 9.537 1153 H VAL 39 H VAL 39 -2.683 -12.446 6.307 1154 HA VAL 39 HA VAL 39 -4.117 -10.028 7.053 1155 HB VAL 39 HB VAL 39 -2.640 -10.613 4.481 1156 1HG1 VAL 39 1HG1 VAL 39 -2.529 -8.102 4.384 1157 2HG1 VAL 39 2HG1 VAL 39 -3.691 -8.071 5.710 1158 3HG1 VAL 39 3HG1 VAL 39 -4.137 -8.791 4.164 1159 1HG2 VAL 39 1HG2 VAL 39 -0.854 -9.171 5.546 1160 2HG2 VAL 39 2HG2 VAL 39 -1.032 -10.798 6.204 1161 3HG2 VAL 39 3HG2 VAL 39 -1.698 -9.416 7.076 1162 H ASP 40 H ASP 40 -5.956 -9.247 6.025 1163 HA ASP 40 HA ASP 40 -7.106 -10.724 3.813 1164 1HB ASP 40 1HB ASP 40 -8.607 -10.506 6.429 1165 2HB ASP 40 2HB ASP 40 -9.194 -11.249 4.944 1166 H GLY 41 H GLY 41 -9.546 -9.766 3.593 1167 1HA GLY 41 1HA GLY 41 -10.807 -7.676 3.895 1168 2HA GLY 41 2HA GLY 41 -9.269 -6.831 3.808 1169 H GLU 42 H GLU 42 -9.766 -5.545 2.067 1170 HA GLU 42 HA GLU 42 -9.664 -6.867 -0.512 1171 1HB GLU 42 1HB GLU 42 -11.973 -5.100 0.297 1172 2HB GLU 42 2HB GLU 42 -11.611 -5.532 -1.367 1173 1HG GLU 42 1HG GLU 42 -11.901 -7.904 -0.795 1174 2HG GLU 42 2HG GLU 42 -12.322 -7.436 0.851 1175 H TRP 43 H TRP 43 -9.238 -5.376 -2.281 1176 HA TRP 43 HA TRP 43 -7.395 -3.341 -1.501 1177 1HB TRP 43 1HB TRP 43 -8.423 -4.327 -4.148 1178 2HB TRP 43 2HB TRP 43 -7.390 -2.903 -4.047 1179 HD1 TRP 43 HD1 TRP 43 -7.284 -6.665 -3.950 1180 HE1 TRP 43 HE1 TRP 43 -4.847 -7.453 -3.734 1181 HE3 TRP 43 HE3 TRP 43 -5.069 -2.169 -2.946 1182 HZ2 TRP 43 HZ2 TRP 43 -2.311 -6.315 -3.201 1183 HZ3 TRP 43 HZ3 TRP 43 -2.635 -2.104 -2.596 1184 HH2 TRP 43 HH2 TRP 43 -1.286 -4.136 -2.721 1185 H THR 44 H THR 44 -7.851 -1.363 -0.938 1186 HA THR 44 HA THR 44 -10.311 -0.126 -1.977 1187 HB THR 44 HB THR 44 -10.341 1.251 0.034 1188 HG1 THR 44 HG1 THR 44 -8.571 1.502 1.099 1189 1HG2 THR 44 1HG2 THR 44 -11.348 -1.048 0.116 1190 2HG2 THR 44 2HG2 THR 44 -10.912 -0.343 1.671 1191 3HG2 THR 44 3HG2 THR 44 -9.880 -1.570 0.940 1192 H TYR 45 H TYR 45 -10.217 1.842 -2.896 1193 HA TYR 45 HA TYR 45 -7.722 2.706 -3.965 1194 1HB TYR 45 1HB TYR 45 -10.537 3.736 -4.106 1195 2HB TYR 45 2HB TYR 45 -9.206 4.712 -4.721 1196 HD1 TYR 45 HD1 TYR 45 -11.340 1.845 -5.312 1197 HD2 TYR 45 HD2 TYR 45 -7.818 3.854 -6.601 1198 HE1 TYR 45 HE1 TYR 45 -11.408 0.593 -7.426 1199 HE2 TYR 45 HE2 TYR 45 -7.877 2.608 -8.720 1200 HH TYR 45 HH TYR 45 -8.820 0.432 -9.551 1201 H ASP 46 H ASP 46 -6.513 4.522 -3.510 1202 HA ASP 46 HA ASP 46 -6.553 5.420 -0.802 1203 1HB ASP 46 1HB ASP 46 -4.910 6.093 -3.227 1204 2HB ASP 46 2HB ASP 46 -4.765 7.056 -1.761 1205 H ASP 47 H ASP 47 -6.695 7.666 -0.118 1206 HA ASP 47 HA ASP 47 -9.015 8.950 -1.100 1207 1HB ASP 47 1HB ASP 47 -8.379 10.787 0.465 1208 2HB ASP 47 2HB ASP 47 -8.396 9.197 1.220 1209 H ALA 48 H ALA 48 -9.302 10.518 -2.572 1210 HA ALA 48 HA ALA 48 -7.426 11.076 -4.525 1211 1HB ALA 48 1HB ALA 48 -9.957 12.443 -3.700 1212 2HB ALA 48 2HB ALA 48 -9.636 11.453 -5.124 1213 3HB ALA 48 3HB ALA 48 -8.967 13.081 -5.012 1214 H THR 49 H THR 49 -5.989 12.672 -4.934 1215 HA THR 49 HA THR 49 -5.628 14.798 -2.945 1216 HB THR 49 HB THR 49 -3.342 13.168 -4.064 1217 HG1 THR 49 HG1 THR 49 -4.088 11.784 -2.645 1218 1HG2 THR 49 1HG2 THR 49 -3.409 15.156 -1.808 1219 2HG2 THR 49 2HG2 THR 49 -2.704 15.424 -3.402 1220 3HG2 THR 49 3HG2 THR 49 -2.012 14.210 -2.325 1221 H LYS 50 H LYS 50 -4.410 16.639 -3.745 1222 HA LYS 50 HA LYS 50 -4.340 16.785 -6.688 1223 1HB LYS 50 1HB LYS 50 -5.553 18.666 -4.703 1224 2HB LYS 50 2HB LYS 50 -4.896 19.306 -6.203 1225 1HG LYS 50 1HG LYS 50 -6.366 17.720 -7.441 1226 2HG LYS 50 2HG LYS 50 -7.103 17.284 -5.896 1227 1HD LYS 50 1HD LYS 50 -6.940 20.170 -6.589 1228 2HD LYS 50 2HD LYS 50 -8.110 19.181 -7.466 1229 1HE LYS 50 1HE LYS 50 -8.674 18.345 -5.014 1230 2HE LYS 50 2HE LYS 50 -8.016 19.924 -4.590 1231 1HZ LYS 50 1HZ LYS 50 -10.511 19.728 -5.047 1232 2HZ LYS 50 2HZ LYS 50 -10.081 19.659 -6.682 1233 3HZ LYS 50 3HZ LYS 50 -9.675 21.018 -5.756 1234 H THR 51 H THR 51 -2.420 17.272 -7.467 1235 HA THR 51 HA THR 51 -0.464 18.607 -5.720 1236 HB THR 51 HB THR 51 -0.124 16.695 -8.036 1237 HG1 THR 51 HG1 THR 51 0.820 15.419 -6.472 1238 1HG2 THR 51 1HG2 THR 51 1.991 18.301 -6.628 1239 2HG2 THR 51 2HG2 THR 51 1.656 18.225 -8.358 1240 3HG2 THR 51 3HG2 THR 51 2.324 16.821 -7.527 1241 H PHE 52 H PHE 52 0.385 20.541 -6.313 1242 HA PHE 52 HA PHE 52 -0.782 21.887 -8.576 1243 1HB PHE 52 1HB PHE 52 -0.326 22.965 -6.324 1244 2HB PHE 52 2HB PHE 52 1.379 22.959 -6.765 1245 HD1 PHE 52 HD1 PHE 52 -1.942 24.277 -7.700 1246 HD2 PHE 52 HD2 PHE 52 2.271 24.580 -8.222 1247 HE1 PHE 52 HE1 PHE 52 -2.247 26.402 -8.903 1248 HE2 PHE 52 HE2 PHE 52 1.973 26.707 -9.425 1249 HZ PHE 52 HZ PHE 52 -0.288 27.620 -9.766 1250 H THR 53 H THR 53 0.012 21.788 -10.563 1251 HA THR 53 HA THR 53 2.784 20.984 -10.972 1252 HB THR 53 HB THR 53 0.530 21.393 -12.949 1253 HG1 THR 53 HG1 THR 53 1.685 19.026 -11.901 1254 1HG2 THR 53 1HG2 THR 53 3.311 20.334 -13.338 1255 2HG2 THR 53 2HG2 THR 53 2.515 21.659 -14.190 1256 3HG2 THR 53 3HG2 THR 53 1.982 19.997 -14.448 1257 H VAL 54 H VAL 54 4.329 22.469 -11.219 1258 HA VAL 54 HA VAL 54 3.730 25.238 -11.490 1259 HB VAL 54 HB VAL 54 6.443 24.035 -11.974 1260 1HG1 VAL 54 1HG1 VAL 54 5.376 26.709 -11.204 1261 2HG1 VAL 54 2HG1 VAL 54 6.603 26.288 -12.399 1262 3HG1 VAL 54 3HG1 VAL 54 6.992 26.236 -10.679 1263 1HG2 VAL 54 1HG2 VAL 54 5.006 24.443 -9.368 1264 2HG2 VAL 54 2HG2 VAL 54 6.766 24.424 -9.472 1265 3HG2 VAL 54 3HG2 VAL 54 5.839 23.003 -9.951 1266 H THR 55 H THR 55 4.430 26.650 -13.206 1267 HA THR 55 HA THR 55 4.981 25.424 -15.782 1268 HB THR 55 HB THR 55 2.531 27.115 -15.276 1269 HG1 THR 55 HG1 THR 55 2.877 24.443 -16.155 1270 1HG2 THR 55 1HG2 THR 55 2.252 26.206 -17.807 1271 2HG2 THR 55 2HG2 THR 55 3.980 26.560 -17.760 1272 3HG2 THR 55 3HG2 THR 55 2.810 27.824 -17.379 1273 H GLU 56 H GLU 56 3.685 28.657 -15.184 1274 HA GLU 56 HA GLU 56 6.100 30.034 -14.918 1275 1HB GLU 56 1HB GLU 56 6.157 31.041 -17.268 1276 2HB GLU 56 2HB GLU 56 6.787 29.409 -17.078 1277 1HG GLU 56 1HG GLU 56 4.958 28.446 -18.134 1278 2HG GLU 56 2HG GLU 56 3.948 29.871 -17.894 1279 1H MET 1 1H MET 1 0.999 3.092 -12.262 1280 2H MET 1 2H MET 1 -0.150 2.064 -13.020 1281 3H MET 1 3H MET 1 1.121 1.391 -12.083 1282 HA MET 1 HA MET 1 -0.914 3.204 -10.993 1283 1HB MET 1 1HB MET 1 -0.930 0.259 -11.504 1284 2HB MET 1 2HB MET 1 -1.688 0.858 -10.034 1285 1HG MET 1 1HG MET 1 -2.435 2.264 -12.506 1286 2HG MET 1 2HG MET 1 -2.952 0.583 -12.396 1287 1HE MET 1 1HE MET 1 -2.334 2.713 -9.281 1288 2HE MET 1 2HE MET 1 -3.901 3.440 -8.920 1289 3HE MET 1 3HE MET 1 -2.957 4.017 -10.293 1290 H GLN 2 H GLN 2 -0.506 3.754 -8.952 1291 HA GLN 2 HA GLN 2 1.897 2.707 -7.687 1292 1HB GLN 2 1HB GLN 2 1.142 5.211 -7.864 1293 2HB GLN 2 2HB GLN 2 0.155 4.814 -6.464 1294 1HG GLN 2 1HG GLN 2 1.991 4.442 -5.108 1295 2HG GLN 2 2HG GLN 2 3.073 4.181 -6.476 1296 1HE2 GLN 2 1HE2 GLN 2 0.819 6.774 -5.586 1297 2HE2 GLN 2 2HE2 GLN 2 1.977 8.052 -5.698 1298 H TYR 3 H TYR 3 1.861 1.185 -6.171 1299 HA TYR 3 HA TYR 3 -0.708 0.591 -4.876 1300 1HB TYR 3 1HB TYR 3 1.598 -1.145 -5.678 1301 2HB TYR 3 2HB TYR 3 0.524 -1.658 -4.381 1302 HD1 TYR 3 HD1 TYR 3 0.920 -1.270 -7.960 1303 HD2 TYR 3 HD2 TYR 3 -1.895 -2.010 -4.857 1304 HE1 TYR 3 HE1 TYR 3 -0.676 -2.133 -9.621 1305 HE2 TYR 3 HE2 TYR 3 -3.498 -2.876 -6.509 1306 HH TYR 3 HH TYR 3 -3.781 -2.397 -9.223 1307 H LYS 4 H LYS 4 -0.939 0.815 -2.812 1308 HA LYS 4 HA LYS 4 1.420 1.414 -1.153 1309 1HB LYS 4 1HB LYS 4 -1.383 2.386 -1.154 1310 2HB LYS 4 2HB LYS 4 -0.610 2.210 0.414 1311 1HG LYS 4 1HG LYS 4 1.315 3.570 -0.636 1312 2HG LYS 4 2HG LYS 4 0.118 4.015 -1.852 1313 1HD LYS 4 1HD LYS 4 -1.344 4.549 0.276 1314 2HD LYS 4 2HD LYS 4 0.237 4.701 1.044 1315 1HE LYS 4 1HE LYS 4 0.745 6.175 -1.081 1316 2HE LYS 4 2HE LYS 4 -1.009 6.354 -1.098 1317 1HZ LYS 4 1HZ LYS 4 0.112 8.117 0.156 1318 2HZ LYS 4 2HZ LYS 4 0.740 6.967 1.225 1319 3HZ LYS 4 3HZ LYS 4 -0.933 7.216 1.135 1320 H VAL 5 H VAL 5 2.012 0.069 0.417 1321 HA VAL 5 HA VAL 5 0.049 -1.759 1.590 1322 HB VAL 5 HB VAL 5 2.730 -2.754 0.624 1323 1HG1 VAL 5 1HG1 VAL 5 0.341 -4.408 1.355 1324 2HG1 VAL 5 2HG1 VAL 5 1.467 -3.840 2.585 1325 3HG1 VAL 5 3HG1 VAL 5 2.037 -4.879 1.281 1326 1HG2 VAL 5 1HG2 VAL 5 1.408 -2.181 -1.318 1327 2HG2 VAL 5 2HG2 VAL 5 0.022 -3.056 -0.669 1328 3HG2 VAL 5 3HG2 VAL 5 1.475 -3.934 -1.145 1329 H ILE 6 H ILE 6 0.214 -1.718 3.748 1330 HA ILE 6 HA ILE 6 2.635 -0.607 4.951 1331 HB ILE 6 HB ILE 6 0.059 -1.262 6.364 1332 1HG1 ILE 6 1HG1 ILE 6 0.861 1.398 5.167 1333 2HG1 ILE 6 2HG1 ILE 6 -0.324 0.306 4.458 1334 1HG2 ILE 6 1HG2 ILE 6 0.893 0.517 7.918 1335 2HG2 ILE 6 2HG2 ILE 6 2.413 0.492 7.024 1336 3HG2 ILE 6 3HG2 ILE 6 1.869 -0.953 7.877 1337 1HD1 ILE 6 1HD1 ILE 6 -1.162 2.272 5.865 1338 2HD1 ILE 6 2HD1 ILE 6 -0.642 1.319 7.253 1339 3HD1 ILE 6 3HD1 ILE 6 -1.864 0.682 6.155 1340 H LEU 7 H LEU 7 4.141 -1.957 5.682 1341 HA LEU 7 HA LEU 7 3.322 -4.649 6.541 1342 1HB LEU 7 1HB LEU 7 5.709 -3.583 5.181 1343 2HB LEU 7 2HB LEU 7 6.048 -4.751 6.446 1344 HG LEU 7 HG LEU 7 4.053 -6.014 5.070 1345 1HD1 LEU 7 1HD1 LEU 7 4.328 -5.768 2.754 1346 2HD1 LEU 7 2HD1 LEU 7 5.789 -4.800 2.944 1347 3HD1 LEU 7 3HD1 LEU 7 4.221 -4.123 3.381 1348 1HD2 LEU 7 1HD2 LEU 7 5.844 -7.333 5.598 1349 2HD2 LEU 7 2HD2 LEU 7 7.026 -6.151 5.036 1350 3HD2 LEU 7 3HD2 LEU 7 6.126 -7.123 3.869 1351 H ASN 8 H ASN 8 3.323 -5.101 8.634 1352 HA ASN 8 HA ASN 8 5.257 -3.996 10.451 1353 1HB ASN 8 1HB ASN 8 3.216 -2.338 10.174 1354 2HB ASN 8 2HB ASN 8 2.417 -3.487 11.237 1355 1HD2 ASN 8 1HD2 ASN 8 5.124 -1.286 10.938 1356 2HD2 ASN 8 2HD2 ASN 8 5.377 -1.070 12.633 1357 H GLY 9 H GLY 9 2.164 -5.683 10.102 1358 1HA GLY 9 1HA GLY 9 2.427 -8.146 10.716 1359 2HA GLY 9 2HA GLY 9 2.984 -7.518 12.260 1360 H LYS 10 H LYS 10 0.239 -6.913 10.065 1361 HA LYS 10 HA LYS 10 -2.000 -6.781 10.431 1362 1HB LYS 10 1HB LYS 10 -1.295 -9.080 11.589 1363 2HB LYS 10 2HB LYS 10 -1.828 -8.220 13.029 1364 1HG LYS 10 1HG LYS 10 -3.629 -8.155 10.683 1365 2HG LYS 10 2HG LYS 10 -3.464 -9.692 11.534 1366 1HD LYS 10 1HD LYS 10 -3.886 -8.322 13.668 1367 2HD LYS 10 2HD LYS 10 -4.461 -7.059 12.577 1368 1HE LYS 10 1HE LYS 10 -6.334 -8.377 13.341 1369 2HE LYS 10 2HE LYS 10 -6.073 -8.664 11.620 1370 1HZ LYS 10 1HZ LYS 10 -5.122 -10.755 12.061 1371 2HZ LYS 10 2HZ LYS 10 -6.507 -10.684 13.029 1372 3HZ LYS 10 3HZ LYS 10 -4.982 -10.447 13.719 1373 H THR 11 H THR 11 -3.561 -5.592 11.572 1374 HA THR 11 HA THR 11 -2.510 -3.416 13.080 1375 HB THR 11 HB THR 11 -5.409 -4.174 12.684 1376 HG1 THR 11 HG1 THR 11 -4.792 -3.917 10.663 1377 1HG2 THR 11 1HG2 THR 11 -4.246 -2.035 14.088 1378 2HG2 THR 11 2HG2 THR 11 -5.945 -2.282 13.680 1379 3HG2 THR 11 3HG2 THR 11 -4.897 -1.376 12.587 1380 H LEU 12 H LEU 12 -2.409 -3.100 15.218 1381 HA LEU 12 HA LEU 12 -2.499 -3.490 17.455 1382 1HB LEU 12 1HB LEU 12 -5.078 -4.917 16.807 1383 2HB LEU 12 2HB LEU 12 -4.581 -4.340 18.387 1384 HG LEU 12 HG LEU 12 -4.910 -2.431 16.093 1385 1HD1 LEU 12 1HD1 LEU 12 -7.208 -2.027 16.877 1386 2HD1 LEU 12 2HD1 LEU 12 -7.068 -3.416 17.951 1387 3HD1 LEU 12 3HD1 LEU 12 -6.999 -3.643 16.205 1388 1HD2 LEU 12 1HD2 LEU 12 -3.759 -1.707 18.162 1389 2HD2 LEU 12 2HD2 LEU 12 -5.217 -2.092 19.073 1390 3HD2 LEU 12 3HD2 LEU 12 -5.250 -0.820 17.853 1391 H LYS 13 H LYS 13 -2.605 -5.249 19.151 1392 HA LYS 13 HA LYS 13 -0.981 -7.439 18.295 1393 1HB LYS 13 1HB LYS 13 -0.962 -6.196 20.562 1394 2HB LYS 13 2HB LYS 13 -2.313 -7.237 20.985 1395 1HG LYS 13 1HG LYS 13 -0.888 -9.206 20.525 1396 2HG LYS 13 2HG LYS 13 0.467 -8.112 20.234 1397 1HD LYS 13 1HD LYS 13 -1.066 -7.906 22.790 1398 2HD LYS 13 2HD LYS 13 0.120 -9.199 22.593 1399 1HE LYS 13 1HE LYS 13 0.904 -6.409 21.899 1400 2HE LYS 13 2HE LYS 13 0.799 -6.862 23.599 1401 1HZ LYS 13 1HZ LYS 13 2.237 -8.858 22.832 1402 2HZ LYS 13 2HZ LYS 13 2.970 -7.360 23.102 1403 3HZ LYS 13 3HZ LYS 13 2.625 -7.860 21.523 1404 H GLY 14 H GLY 14 -1.731 -9.224 17.355 1405 1HA GLY 14 1HA GLY 14 -4.341 -10.271 18.256 1406 2HA GLY 14 2HA GLY 14 -3.916 -10.213 16.553 1407 H GLU 15 H GLU 15 -2.741 -11.511 19.650 1408 HA GLU 15 HA GLU 15 -1.785 -13.499 20.200 1409 1HB GLU 15 1HB GLU 15 -2.911 -14.528 17.593 1410 2HB GLU 15 2HB GLU 15 -2.476 -15.473 19.012 1411 1HG GLU 15 1HG GLU 15 -4.344 -14.824 20.186 1412 2HG GLU 15 2HG GLU 15 -4.551 -13.346 19.248 1413 H THR 16 H THR 16 0.343 -13.713 20.179 1414 HA THR 16 HA THR 16 1.845 -13.223 17.744 1415 HB THR 16 HB THR 16 2.586 -12.218 19.868 1416 HG1 THR 16 HG1 THR 16 4.340 -14.145 18.757 1417 1HG2 THR 16 1HG2 THR 16 1.908 -14.136 21.334 1418 2HG2 THR 16 2HG2 THR 16 3.505 -13.457 21.653 1419 3HG2 THR 16 3HG2 THR 16 3.353 -14.976 20.768 1420 H THR 17 H THR 17 2.459 -14.780 16.413 1421 HA THR 17 HA THR 17 3.014 -17.452 17.492 1422 HB THR 17 HB THR 17 1.958 -18.240 15.204 1423 HG1 THR 17 HG1 THR 17 0.492 -15.879 15.755 1424 1HG2 THR 17 1HG2 THR 17 0.994 -19.133 17.117 1425 2HG2 THR 17 2HG2 THR 17 -0.337 -18.290 16.325 1426 3HG2 THR 17 3HG2 THR 17 0.474 -17.555 17.708 1427 H THR 18 H THR 18 2.977 -15.841 14.305 1428 HA THR 18 HA THR 18 5.865 -16.249 14.100 1429 HB THR 18 HB THR 18 5.498 -17.077 11.713 1430 HG1 THR 18 HG1 THR 18 3.520 -17.913 11.228 1431 1HG2 THR 18 1HG2 THR 18 5.914 -18.505 13.916 1432 2HG2 THR 18 2HG2 THR 18 5.664 -19.241 12.333 1433 3HG2 THR 18 3HG2 THR 18 4.325 -19.135 13.478 1434 H GLU 19 H GLU 19 3.427 -15.400 11.662 1435 HA GLU 19 HA GLU 19 3.109 -13.535 10.402 1436 1HB GLU 19 1HB GLU 19 4.264 -12.229 12.865 1437 2HB GLU 19 2HB GLU 19 3.625 -11.324 11.500 1438 1HG GLU 19 1HG GLU 19 1.449 -11.961 11.922 1439 2HG GLU 19 2HG GLU 19 1.935 -13.384 12.843 1440 H ALA 20 H ALA 20 4.224 -13.148 8.615 1441 HA ALA 20 HA ALA 20 7.134 -12.751 8.829 1442 1HB ALA 20 1HB ALA 20 7.182 -13.479 6.432 1443 2HB ALA 20 2HB ALA 20 5.471 -13.879 6.588 1444 3HB ALA 20 3HB ALA 20 6.666 -14.718 7.577 1445 H VAL 21 H VAL 21 4.748 -10.773 8.871 1446 HA VAL 21 HA VAL 21 5.099 -9.191 6.510 1447 HB VAL 21 HB VAL 21 3.866 -8.224 9.087 1448 1HG1 VAL 21 1HG1 VAL 21 3.298 -7.480 6.220 1449 2HG1 VAL 21 2HG1 VAL 21 4.361 -6.573 7.295 1450 3HG1 VAL 21 3HG1 VAL 21 2.645 -6.715 7.668 1451 1HG2 VAL 21 1HG2 VAL 21 2.623 -9.869 6.888 1452 2HG2 VAL 21 2HG2 VAL 21 1.698 -8.977 8.097 1453 3HG2 VAL 21 3HG2 VAL 21 2.764 -10.291 8.595 1454 H ASP 22 H ASP 22 7.554 -9.354 7.002 1455 HA ASP 22 HA ASP 22 8.425 -7.125 8.712 1456 1HB ASP 22 1HB ASP 22 9.475 -9.351 9.078 1457 2HB ASP 22 2HB ASP 22 10.094 -9.297 7.431 1458 H ALA 23 H ALA 23 9.666 -5.485 7.969 1459 HA ALA 23 HA ALA 23 9.178 -4.409 5.493 1460 1HB ALA 23 1HB ALA 23 10.576 -3.700 7.771 1461 2HB ALA 23 2HB ALA 23 10.294 -2.689 6.352 1462 3HB ALA 23 3HB ALA 23 11.781 -3.628 6.486 1463 H ALA 24 H ALA 24 11.977 -6.365 6.485 1464 HA ALA 24 HA ALA 24 13.347 -6.205 4.013 1465 1HB ALA 24 1HB ALA 24 14.328 -6.870 6.236 1466 2HB ALA 24 2HB ALA 24 14.796 -7.877 4.866 1467 3HB ALA 24 3HB ALA 24 13.577 -8.449 6.004 1468 H THR 25 H THR 25 10.842 -8.316 5.233 1469 HA THR 25 HA THR 25 11.059 -10.383 3.334 1470 HB THR 25 HB THR 25 8.771 -9.389 5.029 1471 HG1 THR 25 HG1 THR 25 9.356 -10.989 6.337 1472 1HG2 THR 25 1HG2 THR 25 8.569 -11.186 2.802 1473 2HG2 THR 25 2HG2 THR 25 7.309 -10.578 3.880 1474 3HG2 THR 25 3HG2 THR 25 8.224 -12.023 4.316 1475 H PHE 26 H PHE 26 9.264 -7.350 3.337 1476 HA PHE 26 HA PHE 26 7.832 -7.804 0.939 1477 1HB PHE 26 1HB PHE 26 7.376 -6.009 2.697 1478 2HB PHE 26 2HB PHE 26 8.672 -5.087 1.939 1479 HD1 PHE 26 HD1 PHE 26 5.422 -6.730 1.228 1480 HD2 PHE 26 HD2 PHE 26 8.245 -3.762 0.075 1481 HE1 PHE 26 HE1 PHE 26 3.830 -5.869 -0.438 1482 HE2 PHE 26 HE2 PHE 26 6.656 -2.893 -1.592 1483 HZ PHE 26 HZ PHE 26 4.445 -3.947 -1.850 1484 H GLU 27 H GLU 27 10.885 -6.125 1.603 1485 HA GLU 27 HA GLU 27 11.440 -5.235 -0.975 1486 1HB GLU 27 1HB GLU 27 13.359 -6.092 1.196 1487 2HB GLU 27 2HB GLU 27 13.813 -5.188 -0.240 1488 1HG GLU 27 1HG GLU 27 12.484 -3.315 0.445 1489 2HG GLU 27 2HG GLU 27 11.826 -4.227 1.803 1490 H LYS 28 H LYS 28 12.433 -8.277 0.589 1491 HA LYS 28 HA LYS 28 13.856 -9.257 -1.644 1492 1HB LYS 28 1HB LYS 28 14.030 -10.004 0.787 1493 2HB LYS 28 2HB LYS 28 12.593 -10.971 0.484 1494 1HG LYS 28 1HG LYS 28 13.721 -12.291 -1.137 1495 2HG LYS 28 2HG LYS 28 15.113 -11.206 -1.139 1496 1HD LYS 28 1HD LYS 28 15.808 -13.009 0.173 1497 2HD LYS 28 2HD LYS 28 15.319 -11.792 1.353 1498 1HE LYS 28 1HE LYS 28 13.217 -12.892 1.706 1499 2HE LYS 28 2HE LYS 28 13.533 -14.017 0.386 1500 1HZ LYS 28 1HZ LYS 28 15.361 -14.945 1.644 1501 2HZ LYS 28 2HZ LYS 28 13.939 -15.021 2.554 1502 3HZ LYS 28 3HZ LYS 28 15.101 -13.844 2.901 1503 H VAL 29 H VAL 29 10.527 -9.898 -0.514 1504 HA VAL 29 HA VAL 29 9.912 -11.835 -2.456 1505 HB VAL 29 HB VAL 29 8.035 -9.942 -1.038 1506 1HG1 VAL 29 1HG1 VAL 29 7.056 -10.995 -3.048 1507 2HG1 VAL 29 2HG1 VAL 29 6.289 -11.538 -1.553 1508 3HG1 VAL 29 3HG1 VAL 29 7.447 -12.581 -2.379 1509 1HG2 VAL 29 1HG2 VAL 29 8.010 -11.335 0.750 1510 2HG2 VAL 29 2HG2 VAL 29 9.644 -11.691 0.187 1511 3HG2 VAL 29 3HG2 VAL 29 8.312 -12.774 -0.226 1512 H VAL 30 H VAL 30 9.496 -8.319 -2.452 1513 HA VAL 30 HA VAL 30 8.096 -8.240 -4.926 1514 HB VAL 30 HB VAL 30 9.629 -5.990 -3.616 1515 1HG1 VAL 30 1HG1 VAL 30 8.304 -4.511 -4.925 1516 2HG1 VAL 30 2HG1 VAL 30 7.283 -5.829 -5.498 1517 3HG1 VAL 30 3HG1 VAL 30 8.960 -5.718 -6.029 1518 1HG2 VAL 30 1HG2 VAL 30 6.686 -6.218 -3.373 1519 2HG2 VAL 30 2HG2 VAL 30 7.872 -5.575 -2.235 1520 3HG2 VAL 30 3HG2 VAL 30 7.660 -7.320 -2.397 1521 H LYS 31 H LYS 31 11.535 -7.694 -4.092 1522 HA LYS 31 HA LYS 31 12.334 -6.976 -6.689 1523 1HB LYS 31 1HB LYS 31 13.591 -6.755 -4.445 1524 2HB LYS 31 2HB LYS 31 14.096 -8.415 -4.719 1525 1HG LYS 31 1HG LYS 31 14.518 -6.601 -6.987 1526 2HG LYS 31 2HG LYS 31 15.464 -6.237 -5.544 1527 1HD LYS 31 1HD LYS 31 16.052 -8.738 -5.543 1528 2HD LYS 31 2HD LYS 31 15.449 -8.739 -7.201 1529 1HE LYS 31 1HE LYS 31 17.065 -7.049 -7.826 1530 2HE LYS 31 2HE LYS 31 17.618 -6.924 -6.155 1531 1HZ LYS 31 1HZ LYS 31 18.927 -8.365 -7.834 1532 2HZ LYS 31 2HZ LYS 31 17.725 -9.519 -7.541 1533 3HZ LYS 31 3HZ LYS 31 18.677 -8.947 -6.265 1534 H GLN 32 H GLN 32 12.306 -10.090 -4.999 1535 HA GLN 32 HA GLN 32 13.449 -11.592 -7.099 1536 1HB GLN 32 1HB GLN 32 13.210 -12.250 -4.645 1537 2HB GLN 32 2HB GLN 32 11.551 -12.682 -5.030 1538 1HG GLN 32 1HG GLN 32 12.842 -14.665 -5.118 1539 2HG GLN 32 2HG GLN 32 12.441 -14.225 -6.777 1540 1HE2 GLN 32 1HE2 GLN 32 14.124 -15.195 -7.785 1541 2HE2 GLN 32 2HE2 GLN 32 15.776 -14.741 -7.566 1542 H PHE 33 H PHE 33 10.059 -10.901 -6.227 1543 HA PHE 33 HA PHE 33 8.928 -12.584 -8.187 1544 1HB PHE 33 1HB PHE 33 7.503 -12.138 -6.449 1545 2HB PHE 33 2HB PHE 33 7.981 -10.454 -6.338 1546 HD1 PHE 33 HD1 PHE 33 6.372 -12.612 -8.966 1547 HD2 PHE 33 HD2 PHE 33 6.306 -9.017 -6.691 1548 HE1 PHE 33 HE1 PHE 33 4.286 -11.935 -10.098 1549 HE2 PHE 33 HE2 PHE 33 4.234 -8.327 -7.823 1550 HZ PHE 33 HZ PHE 33 3.221 -9.781 -9.527 1551 H PHE 34 H PHE 34 9.521 -9.067 -8.162 1552 HA PHE 34 HA PHE 34 8.476 -8.806 -10.813 1553 1HB PHE 34 1HB PHE 34 9.653 -6.908 -8.842 1554 2HB PHE 34 2HB PHE 34 9.494 -6.417 -10.533 1555 HD1 PHE 34 HD1 PHE 34 7.809 -6.700 -7.421 1556 HD2 PHE 34 HD2 PHE 34 7.207 -6.827 -11.632 1557 HE1 PHE 34 HE1 PHE 34 5.402 -6.295 -7.089 1558 HE2 PHE 34 HE2 PHE 34 4.806 -6.415 -11.309 1559 HZ PHE 34 HZ PHE 34 3.896 -6.158 -9.038 1560 H ASN 35 H ASN 35 11.699 -9.254 -9.515 1561 HA ASN 35 HA ASN 35 13.192 -8.367 -11.702 1562 1HB ASN 35 1HB ASN 35 13.680 -10.456 -9.614 1563 2HB ASN 35 2HB ASN 35 14.789 -10.328 -10.977 1564 1HD2 ASN 35 1HD2 ASN 35 13.160 -7.521 -9.674 1565 2HD2 ASN 35 2HD2 ASN 35 14.560 -6.812 -8.955 1566 H ASP 36 H ASP 36 11.279 -11.239 -11.302 1567 HA ASP 36 HA ASP 36 12.299 -12.788 -13.411 1568 1HB ASP 36 1HB ASP 36 9.490 -12.717 -12.283 1569 2HB ASP 36 2HB ASP 36 10.146 -13.991 -13.311 1570 H ASN 37 H ASN 37 10.453 -9.918 -13.470 1571 HA ASN 37 HA ASN 37 9.554 -10.417 -16.225 1572 1HB ASN 37 1HB ASN 37 8.815 -7.975 -14.639 1573 2HB ASN 37 2HB ASN 37 7.957 -8.721 -15.980 1574 1HD2 ASN 37 1HD2 ASN 37 8.006 -8.298 -12.719 1575 2HD2 ASN 37 2HD2 ASN 37 6.985 -9.610 -12.248 1576 H GLY 38 H GLY 38 11.916 -8.668 -14.436 1577 1HA GLY 38 1HA GLY 38 13.768 -7.908 -15.939 1578 2HA GLY 38 2HA GLY 38 12.522 -7.074 -16.849 1579 H VAL 39 H VAL 39 12.088 -7.047 -13.448 1580 HA VAL 39 HA VAL 39 12.657 -4.195 -13.401 1581 HB VAL 39 HB VAL 39 11.565 -5.923 -11.173 1582 1HG1 VAL 39 1HG1 VAL 39 10.673 -3.710 -10.376 1583 2HG1 VAL 39 2HG1 VAL 39 11.705 -2.942 -11.580 1584 3HG1 VAL 39 3HG1 VAL 39 12.424 -3.893 -10.281 1585 1HG2 VAL 39 1HG2 VAL 39 9.365 -4.878 -11.865 1586 2HG2 VAL 39 2HG2 VAL 39 10.016 -6.109 -12.949 1587 3HG2 VAL 39 3HG2 VAL 39 10.169 -4.400 -13.360 1588 H ASP 40 H ASP 40 14.208 -3.207 -12.106 1589 HA ASP 40 HA ASP 40 15.864 -4.819 -10.359 1590 1HB ASP 40 1HB ASP 40 17.093 -3.408 -12.735 1591 2HB ASP 40 2HB ASP 40 17.958 -4.314 -11.494 1592 H GLY 41 H GLY 41 17.890 -3.252 -9.767 1593 1HA GLY 41 1HA GLY 41 18.423 -0.877 -9.396 1594 2HA GLY 41 2HA GLY 41 16.702 -0.617 -9.144 1595 H GLU 42 H GLU 42 16.854 0.206 -7.083 1596 HA GLU 42 HA GLU 42 17.291 -1.765 -4.999 1597 1HB GLU 42 1HB GLU 42 18.893 0.790 -5.159 1598 2HB GLU 42 2HB GLU 42 18.762 -0.193 -3.706 1599 1HG GLU 42 1HG GLU 42 19.747 -2.087 -4.929 1600 2HG GLU 42 2HG GLU 42 19.933 -1.051 -6.343 1601 H TRP 43 H TRP 43 16.504 -1.057 -2.900 1602 HA TRP 43 HA TRP 43 14.084 0.434 -3.146 1603 1HB TRP 43 1HB TRP 43 15.493 -0.893 -0.848 1604 2HB TRP 43 2HB TRP 43 14.064 0.101 -0.585 1605 HD1 TRP 43 HD1 TRP 43 15.139 -3.311 -1.762 1606 HE1 TRP 43 HE1 TRP 43 13.064 -4.728 -2.305 1607 HE3 TRP 43 HE3 TRP 43 11.579 0.351 -1.531 1608 HZ2 TRP 43 HZ2 TRP 43 10.278 -4.342 -2.602 1609 HZ3 TRP 43 HZ3 TRP 43 9.233 -0.254 -1.957 1610 HH2 TRP 43 HH2 TRP 43 8.597 -2.553 -2.483 1611 H THR 44 H THR 44 13.872 2.529 -3.099 1612 HA THR 44 HA THR 44 15.870 4.122 -1.638 1613 HB THR 44 HB THR 44 15.368 5.956 -3.166 1614 HG1 THR 44 HG1 THR 44 13.561 5.930 -4.194 1615 1HG2 THR 44 1HG2 THR 44 17.038 4.207 -3.854 1616 2HG2 THR 44 2HG2 THR 44 16.336 5.162 -5.159 1617 3HG2 THR 44 3HG2 THR 44 15.771 3.519 -4.867 1618 H TYR 45 H TYR 45 15.209 5.610 -0.197 1619 HA TYR 45 HA TYR 45 12.622 5.307 0.958 1620 1HB TYR 45 1HB TYR 45 14.978 7.080 1.518 1621 2HB TYR 45 2HB TYR 45 13.439 7.371 2.324 1622 HD1 TYR 45 HD1 TYR 45 16.390 5.279 2.169 1623 HD2 TYR 45 HD2 TYR 45 12.481 5.620 3.813 1624 HE1 TYR 45 HE1 TYR 45 16.948 3.561 3.839 1625 HE2 TYR 45 HE2 TYR 45 13.028 3.905 5.488 1626 HH TYR 45 HH TYR 45 14.657 1.984 5.690 1627 H ASP 46 H ASP 46 10.886 6.704 0.988 1628 HA ASP 46 HA ASP 46 10.516 8.301 -1.347 1629 1HB ASP 46 1HB ASP 46 8.862 7.706 1.093 1630 2HB ASP 46 2HB ASP 46 8.354 8.952 -0.042 1631 H ASP 47 H ASP 47 9.917 10.576 -1.352 1632 HA ASP 47 HA ASP 47 11.763 12.183 0.065 1633 1HB ASP 47 1HB ASP 47 10.520 14.096 -0.940 1634 2HB ASP 47 2HB ASP 47 10.984 12.873 -2.119 1635 H ALA 48 H ALA 48 11.608 13.270 1.936 1636 HA ALA 48 HA ALA 48 9.748 12.620 3.873 1637 1HB ALA 48 1HB ALA 48 11.674 14.893 3.597 1638 2HB ALA 48 2HB ALA 48 11.750 13.487 4.660 1639 3HB ALA 48 3HB ALA 48 10.596 14.781 4.990 1640 H THR 49 H THR 49 7.897 13.489 4.655 1641 HA THR 49 HA THR 49 6.797 15.872 3.347 1642 HB THR 49 HB THR 49 5.181 13.369 3.848 1643 HG1 THR 49 HG1 THR 49 6.272 12.753 2.133 1644 1HG2 THR 49 1HG2 THR 49 4.536 15.847 2.269 1645 2HG2 THR 49 2HG2 THR 49 3.840 15.394 3.826 1646 3HG2 THR 49 3HG2 THR 49 3.527 14.407 2.398 1647 H LYS 50 H LYS 50 5.110 16.937 4.581 1648 HA LYS 50 HA LYS 50 5.144 16.215 7.438 1649 1HB LYS 50 1HB LYS 50 5.613 18.860 6.122 1650 2HB LYS 50 2HB LYS 50 4.858 18.814 7.710 1651 1HG LYS 50 1HG LYS 50 6.807 17.483 8.515 1652 2HG LYS 50 2HG LYS 50 7.573 17.762 6.949 1653 1HD LYS 50 1HD LYS 50 6.540 20.124 8.424 1654 2HD LYS 50 2HD LYS 50 8.001 19.348 9.041 1655 1HE LYS 50 1HE LYS 50 8.686 19.465 6.481 1656 2HE LYS 50 2HE LYS 50 7.550 20.813 6.496 1657 1HZ LYS 50 1HZ LYS 50 10.011 21.260 7.005 1658 2HZ LYS 50 2HZ LYS 50 9.668 20.630 8.536 1659 3HZ LYS 50 3HZ LYS 50 8.842 21.995 7.981 1660 H THR 51 H THR 51 3.207 15.833 8.237 1661 HA THR 51 HA THR 51 0.851 16.932 6.859 1662 HB THR 51 HB THR 51 1.235 14.429 8.510 1663 HG1 THR 51 HG1 THR 51 0.670 13.427 6.604 1664 1HG2 THR 51 1HG2 THR 51 -1.343 15.617 7.515 1665 2HG2 THR 51 2HG2 THR 51 -0.917 15.186 9.173 1666 3HG2 THR 51 3HG2 THR 51 -1.149 13.922 7.964 1667 H PHE 52 H PHE 52 -0.528 18.250 7.942 1668 HA PHE 52 HA PHE 52 0.266 19.184 10.550 1669 1HB PHE 52 1HB PHE 52 -0.609 20.665 8.685 1670 2HB PHE 52 2HB PHE 52 -2.204 19.996 9.019 1671 HD1 PHE 52 HD1 PHE 52 0.570 21.964 10.458 1672 HD2 PHE 52 HD2 PHE 52 -3.496 20.765 10.833 1673 HE1 PHE 52 HE1 PHE 52 0.243 23.639 12.231 1674 HE2 PHE 52 HE2 PHE 52 -3.831 22.438 12.606 1675 HZ PHE 52 HZ PHE 52 -1.959 23.878 13.307 1676 H THR 53 H THR 53 -0.366 18.283 12.387 1677 HA THR 53 HA THR 53 -2.726 16.568 12.415 1678 HB THR 53 HB THR 53 -0.624 17.079 14.532 1679 HG1 THR 53 HG1 THR 53 -1.022 14.890 12.775 1680 1HG2 THR 53 1HG2 THR 53 -2.909 15.133 14.466 1681 2HG2 THR 53 2HG2 THR 53 -2.535 16.339 15.699 1682 3HG2 THR 53 3HG2 THR 53 -1.493 14.929 15.498 1683 H VAL 54 H VAL 54 -4.644 17.358 13.003 1684 HA VAL 54 HA VAL 54 -4.933 19.977 14.082 1685 HB VAL 54 HB VAL 54 -7.103 17.893 14.077 1686 1HG1 VAL 54 1HG1 VAL 54 -6.971 20.869 14.161 1687 2HG1 VAL 54 2HG1 VAL 54 -7.947 19.756 15.121 1688 3HG1 VAL 54 3HG1 VAL 54 -8.378 20.084 13.442 1689 1HG2 VAL 54 1HG2 VAL 54 -6.011 19.474 11.765 1690 2HG2 VAL 54 2HG2 VAL 54 -7.658 18.842 11.781 1691 3HG2 VAL 54 3HG2 VAL 54 -6.287 17.734 11.873 1692 H THR 55 H THR 55 -5.957 20.545 16.096 1693 HA THR 55 HA THR 55 -5.976 18.523 18.184 1694 HB THR 55 HB THR 55 -4.198 20.965 18.299 1695 HG1 THR 55 HG1 THR 55 -3.651 18.184 18.363 1696 1HG2 THR 55 1HG2 THR 55 -3.530 19.505 20.471 1697 2HG2 THR 55 2HG2 THR 55 -5.280 19.294 20.449 1698 3HG2 THR 55 3HG2 THR 55 -4.588 20.914 20.502 1699 H GLU 56 H GLU 56 -5.779 22.029 18.600 1700 HA GLU 56 HA GLU 56 -8.511 22.601 18.629 1701 1HB GLU 56 1HB GLU 56 -8.770 22.818 21.164 1702 2HB GLU 56 2HB GLU 56 -8.872 21.200 20.481 1703 1HG GLU 56 1HG GLU 56 -6.791 20.586 21.304 1704 2HG GLU 56 2HG GLU 56 -6.279 22.259 21.528 Start of MODEL 13 1 1H MET 1 1H MET 1 11.383 20.697 0.441 2 2H MET 1 2H MET 1 9.934 21.491 -0.023 3 3H MET 1 3H MET 1 10.438 20.070 -0.844 4 HA MET 1 HA MET 1 10.114 18.770 1.085 5 1HB MET 1 1HB MET 1 9.693 21.484 2.275 6 2HB MET 1 2HB MET 1 8.868 20.105 2.987 7 1HG MET 1 1HG MET 1 11.748 19.756 2.494 8 2HG MET 1 2HG MET 1 11.313 20.947 3.719 9 1HE MET 1 1HE MET 1 9.546 16.705 3.979 10 2HE MET 1 2HE MET 1 10.466 17.221 2.565 11 3HE MET 1 3HE MET 1 8.942 18.016 2.964 12 H GLN 2 H GLN 2 8.216 17.666 1.132 13 HA GLN 2 HA GLN 2 6.016 18.777 -0.424 14 1HB GLN 2 1HB GLN 2 6.894 16.477 -0.868 15 2HB GLN 2 2HB GLN 2 6.315 15.996 0.722 16 1HG GLN 2 1HG GLN 2 4.019 16.709 -0.025 17 2HG GLN 2 2HG GLN 2 4.688 16.859 -1.649 18 1HE2 GLN 2 1HE2 GLN 2 5.885 14.877 -2.415 19 2HE2 GLN 2 2HE2 GLN 2 5.158 13.350 -2.068 20 H TYR 3 H TYR 3 4.212 19.569 0.459 21 HA TYR 3 HA TYR 3 3.783 19.092 3.328 22 1HB TYR 3 1HB TYR 3 3.222 21.448 1.567 23 2HB TYR 3 2HB TYR 3 2.295 21.215 3.046 24 HD1 TYR 3 HD1 TYR 3 5.407 22.342 1.637 25 HD2 TYR 3 HD2 TYR 3 3.533 21.078 5.240 26 HE1 TYR 3 HE1 TYR 3 7.221 23.376 2.936 27 HE2 TYR 3 HE2 TYR 3 5.340 22.110 6.549 28 HH TYR 3 HH TYR 3 7.777 22.731 6.150 29 H LYS 4 H LYS 4 2.119 18.030 3.981 30 HA LYS 4 HA LYS 4 -0.083 17.465 2.108 31 1HB LYS 4 1HB LYS 4 1.400 15.633 3.320 32 2HB LYS 4 2HB LYS 4 0.272 15.919 4.637 33 1HG LYS 4 1HG LYS 4 -1.564 15.526 2.896 34 2HG LYS 4 2HG LYS 4 -0.279 14.844 1.897 35 1HD LYS 4 1HD LYS 4 -1.016 12.956 2.971 36 2HD LYS 4 2HD LYS 4 0.250 13.480 4.083 37 1HE LYS 4 1HE LYS 4 -1.311 14.384 5.597 38 2HE LYS 4 2HE LYS 4 -2.616 14.321 4.412 39 1HZ LYS 4 1HZ LYS 4 -1.326 12.027 5.780 40 2HZ LYS 4 2HZ LYS 4 -2.406 11.860 4.490 41 3HZ LYS 4 3HZ LYS 4 -2.926 12.552 5.943 42 H VAL 5 H VAL 5 -1.967 18.433 2.457 43 HA VAL 5 HA VAL 5 -2.784 19.034 5.206 44 HB VAL 5 HB VAL 5 -2.951 21.105 3.018 45 1HG1 VAL 5 1HG1 VAL 5 -3.412 22.596 5.007 46 2HG1 VAL 5 2HG1 VAL 5 -3.617 21.120 5.951 47 3HG1 VAL 5 3HG1 VAL 5 -4.685 21.449 4.587 48 1HG2 VAL 5 1HG2 VAL 5 -1.030 20.970 5.340 49 2HG2 VAL 5 2HG2 VAL 5 -1.169 22.291 4.181 50 3HG2 VAL 5 3HG2 VAL 5 -0.617 20.704 3.646 51 H ILE 6 H ILE 6 -4.829 18.544 5.576 52 HA ILE 6 HA ILE 6 -6.534 17.778 3.333 53 HB ILE 6 HB ILE 6 -7.138 17.490 6.275 54 1HG1 ILE 6 1HG1 ILE 6 -5.923 15.419 4.433 55 2HG1 ILE 6 2HG1 ILE 6 -5.006 16.351 5.613 56 1HG2 ILE 6 1HG2 ILE 6 -9.132 17.196 5.132 57 2HG2 ILE 6 2HG2 ILE 6 -8.520 15.548 5.270 58 3HG2 ILE 6 3HG2 ILE 6 -8.346 16.429 3.752 59 1HD1 ILE 6 1HD1 ILE 6 -7.020 14.197 6.057 60 2HD1 ILE 6 2HD1 ILE 6 -6.704 15.394 7.314 61 3HD1 ILE 6 3HD1 ILE 6 -5.395 14.372 6.720 62 H LEU 7 H LEU 7 -7.970 19.160 2.521 63 HA LEU 7 HA LEU 7 -9.259 21.086 4.325 64 1HB LEU 7 1HB LEU 7 -7.330 21.855 2.565 65 2HB LEU 7 2HB LEU 7 -8.769 22.045 1.582 66 HG LEU 7 HG LEU 7 -9.731 23.475 3.414 67 1HD1 LEU 7 1HD1 LEU 7 -6.933 23.691 4.455 68 2HD1 LEU 7 2HD1 LEU 7 -8.059 22.503 5.108 69 3HD1 LEU 7 3HD1 LEU 7 -8.442 24.222 5.197 70 1HD2 LEU 7 1HD2 LEU 7 -8.347 25.447 2.844 71 2HD2 LEU 7 2HD2 LEU 7 -8.801 24.490 1.432 72 3HD2 LEU 7 3HD2 LEU 7 -7.170 24.367 2.093 73 H ASN 8 H ASN 8 -11.349 20.585 4.321 74 HA ASN 8 HA ASN 8 -12.765 20.397 1.806 75 1HB ASN 8 1HB ASN 8 -11.937 18.035 2.796 76 2HB ASN 8 2HB ASN 8 -13.451 18.205 3.679 77 1HD2 ASN 8 1HD2 ASN 8 -14.705 16.749 2.687 78 2HD2 ASN 8 2HD2 ASN 8 -15.089 16.763 1.003 79 H GLY 9 H GLY 9 -13.198 19.790 5.280 80 1HA GLY 9 1HA GLY 9 -14.409 21.491 6.581 81 2HA GLY 9 2HA GLY 9 -15.488 21.657 5.204 82 H LYS 10 H LYS 10 -14.241 18.742 6.801 83 HA LYS 10 HA LYS 10 -16.652 18.155 8.174 84 1HB LYS 10 1HB LYS 10 -17.039 17.719 5.579 85 2HB LYS 10 2HB LYS 10 -16.231 16.204 5.960 86 1HG LYS 10 1HG LYS 10 -18.692 17.245 7.349 87 2HG LYS 10 2HG LYS 10 -18.682 16.038 6.061 88 1HD LYS 10 1HD LYS 10 -17.015 14.788 7.630 89 2HD LYS 10 2HD LYS 10 -17.719 15.812 8.883 90 1HE LYS 10 1HE LYS 10 -19.973 15.004 8.155 91 2HE LYS 10 2HE LYS 10 -19.154 13.856 7.097 92 1HZ LYS 10 1HZ LYS 10 -18.576 13.961 9.992 93 2HZ LYS 10 2HZ LYS 10 -18.284 12.700 8.905 94 3HZ LYS 10 3HZ LYS 10 -19.867 13.051 9.386 95 H THR 11 H THR 11 -14.636 18.073 9.554 96 HA THR 11 HA THR 11 -13.994 15.319 10.045 97 HB THR 11 HB THR 11 -11.449 15.952 10.026 98 HG1 THR 11 HG1 THR 11 -10.974 17.408 8.342 99 1HG2 THR 11 1HG2 THR 11 -12.557 15.618 7.284 100 2HG2 THR 11 2HG2 THR 11 -12.765 14.335 8.476 101 3HG2 THR 11 3HG2 THR 11 -11.145 14.870 8.030 102 H LEU 12 H LEU 12 -15.312 17.329 11.515 103 HA LEU 12 HA LEU 12 -13.847 17.174 13.967 104 1HB LEU 12 1HB LEU 12 -13.918 19.674 14.352 105 2HB LEU 12 2HB LEU 12 -12.693 19.088 13.242 106 HG LEU 12 HG LEU 12 -14.751 19.651 11.531 107 1HD1 LEU 12 1HD1 LEU 12 -14.915 21.500 13.881 108 2HD1 LEU 12 2HD1 LEU 12 -16.216 20.701 13.001 109 3HD1 LEU 12 3HD1 LEU 12 -15.346 22.044 12.259 110 1HD2 LEU 12 1HD2 LEU 12 -12.609 21.570 12.438 111 2HD2 LEU 12 2HD2 LEU 12 -13.446 21.582 10.886 112 3HD2 LEU 12 3HD2 LEU 12 -12.370 20.247 11.297 113 H LYS 13 H LYS 13 -16.522 18.701 12.238 114 HA LYS 13 HA LYS 13 -18.356 17.797 14.298 115 1HB LYS 13 1HB LYS 13 -17.453 20.198 14.798 116 2HB LYS 13 2HB LYS 13 -18.540 20.683 13.504 117 1HG LYS 13 1HG LYS 13 -20.431 20.128 14.704 118 2HG LYS 13 2HG LYS 13 -19.563 19.002 15.749 119 1HD LYS 13 1HD LYS 13 -18.386 20.936 16.767 120 2HD LYS 13 2HD LYS 13 -19.385 22.014 15.790 121 1HE LYS 13 1HE LYS 13 -20.379 21.884 17.951 122 2HE LYS 13 2HE LYS 13 -21.398 20.964 16.844 123 1HZ LYS 13 1HZ LYS 13 -20.960 19.867 19.018 124 2HZ LYS 13 2HZ LYS 13 -19.332 19.729 18.579 125 3HZ LYS 13 3HZ LYS 13 -20.522 18.936 17.675 126 H GLY 14 H GLY 14 -20.611 17.971 13.645 127 1HA GLY 14 1HA GLY 14 -20.881 17.516 10.794 128 2HA GLY 14 2HA GLY 14 -22.122 17.268 12.013 129 H GLU 15 H GLU 15 -21.872 19.929 13.148 130 HA GLU 15 HA GLU 15 -23.763 21.276 11.571 131 1HB GLU 15 1HB GLU 15 -21.950 22.407 13.710 132 2HB GLU 15 2HB GLU 15 -23.404 23.176 13.088 133 1HG GLU 15 1HG GLU 15 -23.252 20.596 14.628 134 2HG GLU 15 2HG GLU 15 -23.863 22.143 15.211 135 H THR 16 H THR 16 -23.065 21.575 9.476 136 HA THR 16 HA THR 16 -20.650 23.190 9.067 137 HB THR 16 HB THR 16 -22.273 21.866 6.903 138 HG1 THR 16 HG1 THR 16 -21.630 20.024 7.627 139 1HG2 THR 16 1HG2 THR 16 -19.738 21.639 6.115 140 2HG2 THR 16 2HG2 THR 16 -19.608 23.112 7.075 141 3HG2 THR 16 3HG2 THR 16 -20.747 23.033 5.730 142 H THR 17 H THR 17 -20.997 25.306 9.015 143 HA THR 17 HA THR 17 -23.159 26.338 7.339 144 HB THR 17 HB THR 17 -22.652 27.400 10.121 145 HG1 THR 17 HG1 THR 17 -24.707 25.688 9.183 146 1HG2 THR 17 1HG2 THR 17 -24.292 28.908 9.808 147 2HG2 THR 17 2HG2 THR 17 -25.198 27.863 8.712 148 3HG2 THR 17 3HG2 THR 17 -23.792 28.751 8.124 149 H THR 18 H THR 18 -20.376 27.206 9.377 150 HA THR 18 HA THR 18 -19.827 29.538 7.743 151 HB THR 18 HB THR 18 -19.484 29.809 10.099 152 HG1 THR 18 HG1 THR 18 -17.533 30.691 9.990 153 1HG2 THR 18 1HG2 THR 18 -18.441 27.155 10.001 154 2HG2 THR 18 2HG2 THR 18 -18.860 28.142 11.402 155 3HG2 THR 18 3HG2 THR 18 -17.242 28.239 10.707 156 H GLU 19 H GLU 19 -19.384 28.486 5.744 157 HA GLU 19 HA GLU 19 -17.477 26.485 5.346 158 1HB GLU 19 1HB GLU 19 -18.697 28.592 3.616 159 2HB GLU 19 2HB GLU 19 -17.315 27.695 3.002 160 1HG GLU 19 1HG GLU 19 -18.617 25.593 3.581 161 2HG GLU 19 2HG GLU 19 -20.014 26.650 3.786 162 H ALA 20 H ALA 20 -15.323 26.465 5.458 163 HA ALA 20 HA ALA 20 -13.839 28.951 5.058 164 1HB ALA 20 1HB ALA 20 -13.001 29.119 7.127 165 2HB ALA 20 2HB ALA 20 -12.806 27.374 7.294 166 3HB ALA 20 3HB ALA 20 -14.377 28.118 7.593 167 H VAL 21 H VAL 21 -13.078 25.672 6.192 168 HA VAL 21 HA VAL 21 -10.753 25.547 4.536 169 HB VAL 21 HB VAL 21 -10.609 23.154 5.288 170 1HG1 VAL 21 1HG1 VAL 21 -10.913 24.738 7.765 171 2HG1 VAL 21 2HG1 VAL 21 -9.839 25.390 6.527 172 3HG1 VAL 21 3HG1 VAL 21 -9.550 23.780 7.186 173 1HG2 VAL 21 1HG2 VAL 21 -12.937 23.886 7.059 174 2HG2 VAL 21 2HG2 VAL 21 -12.057 22.359 7.035 175 3HG2 VAL 21 3HG2 VAL 21 -13.042 22.830 5.652 176 H ASP 22 H ASP 22 -12.031 26.030 2.561 177 HA ASP 22 HA ASP 22 -13.294 23.644 1.397 178 1HB ASP 22 1HB ASP 22 -14.575 25.781 1.358 179 2HB ASP 22 2HB ASP 22 -13.302 26.490 0.368 180 H ALA 23 H ALA 23 -12.617 22.757 -0.485 181 HA ALA 23 HA ALA 23 -9.918 22.646 -1.046 182 1HB ALA 23 1HB ALA 23 -12.217 21.397 -1.924 183 2HB ALA 23 2HB ALA 23 -10.565 21.017 -2.418 184 3HB ALA 23 3HB ALA 23 -11.544 22.120 -3.387 185 H ALA 24 H ALA 24 -12.423 24.611 -2.606 186 HA ALA 24 HA ALA 24 -10.776 25.735 -4.602 187 1HB ALA 24 1HB ALA 24 -13.191 25.788 -4.790 188 2HB ALA 24 2HB ALA 24 -12.553 27.432 -4.820 189 3HB ALA 24 3HB ALA 24 -13.306 26.804 -3.353 190 H THR 25 H THR 25 -11.403 26.574 -1.266 191 HA THR 25 HA THR 25 -10.342 29.184 -1.279 192 HB THR 25 HB THR 25 -10.579 27.122 0.919 193 HG1 THR 25 HG1 THR 25 -12.393 28.240 1.454 194 1HG2 THR 25 1HG2 THR 25 -10.568 29.518 2.197 195 2HG2 THR 25 2HG2 THR 25 -9.297 29.737 0.991 196 3HG2 THR 25 3HG2 THR 25 -9.213 28.389 2.128 197 H PHE 26 H PHE 26 -8.896 26.016 -0.881 198 HA PHE 26 HA PHE 26 -6.319 26.861 -0.096 199 1HB PHE 26 1HB PHE 26 -7.302 24.504 0.022 200 2HB PHE 26 2HB PHE 26 -6.901 24.365 -1.687 201 HD1 PHE 26 HD1 PHE 26 -5.376 25.156 1.611 202 HD2 PHE 26 HD2 PHE 26 -4.802 23.634 -2.321 203 HE1 PHE 26 HE1 PHE 26 -3.085 24.487 2.209 204 HE2 PHE 26 HE2 PHE 26 -2.511 22.960 -1.729 205 HZ PHE 26 HZ PHE 26 -1.649 23.386 0.539 206 H GLU 27 H GLU 27 -7.628 25.960 -3.276 207 HA GLU 27 HA GLU 27 -5.324 26.348 -4.781 208 1HB GLU 27 1HB GLU 27 -8.213 26.741 -5.572 209 2HB GLU 27 2HB GLU 27 -6.872 26.667 -6.707 210 1HG GLU 27 1HG GLU 27 -6.374 24.389 -5.947 211 2HG GLU 27 2HG GLU 27 -7.754 24.468 -4.852 212 H LYS 28 H LYS 28 -7.936 28.679 -4.112 213 HA LYS 28 HA LYS 28 -6.794 30.790 -5.578 214 1HB LYS 28 1HB LYS 28 -9.195 30.560 -4.795 215 2HB LYS 28 2HB LYS 28 -8.640 31.109 -3.219 216 1HG LYS 28 1HG LYS 28 -7.986 33.223 -4.104 217 2HG LYS 28 2HG LYS 28 -8.259 32.676 -5.759 218 1HD LYS 28 1HD LYS 28 -10.160 33.941 -5.269 219 2HD LYS 28 2HD LYS 28 -10.685 32.276 -5.008 220 1HE LYS 28 1HE LYS 28 -9.969 32.701 -2.552 221 2HE LYS 28 2HE LYS 28 -10.065 34.404 -2.995 222 1HZ LYS 28 1HZ LYS 28 -12.130 33.408 -2.010 223 2HZ LYS 28 2HZ LYS 28 -12.300 32.510 -3.432 224 3HZ LYS 28 3HZ LYS 28 -12.344 34.199 -3.490 225 H VAL 29 H VAL 29 -6.760 30.185 -2.040 226 HA VAL 29 HA VAL 29 -5.227 32.461 -1.411 227 HB VAL 29 HB VAL 29 -5.449 29.864 0.115 228 1HG1 VAL 29 1HG1 VAL 29 -4.759 31.164 2.061 229 2HG1 VAL 29 2HG1 VAL 29 -4.574 32.598 1.050 230 3HG1 VAL 29 3HG1 VAL 29 -3.514 31.206 0.808 231 1HG2 VAL 29 1HG2 VAL 29 -7.519 31.427 -0.492 232 2HG2 VAL 29 2HG2 VAL 29 -6.923 32.308 0.916 233 3HG2 VAL 29 3HG2 VAL 29 -7.375 30.611 1.065 234 H VAL 30 H VAL 30 -4.299 29.107 -2.045 235 HA VAL 30 HA VAL 30 -1.552 29.493 -1.452 236 HB VAL 30 HB VAL 30 -2.838 27.321 -3.111 237 1HG1 VAL 30 1HG1 VAL 30 -0.122 27.432 -1.802 238 2HG1 VAL 30 2HG1 VAL 30 -0.444 27.486 -3.535 239 3HG1 VAL 30 3HG1 VAL 30 -0.816 26.028 -2.614 240 1HG2 VAL 30 1HG2 VAL 30 -1.919 26.942 -0.303 241 2HG2 VAL 30 2HG2 VAL 30 -3.196 26.114 -1.195 242 3HG2 VAL 30 3HG2 VAL 30 -3.460 27.750 -0.591 243 H LYS 31 H LYS 31 -3.334 29.412 -4.545 244 HA LYS 31 HA LYS 31 -1.049 29.717 -6.163 245 1HB LYS 31 1HB LYS 31 -3.291 28.953 -6.954 246 2HB LYS 31 2HB LYS 31 -3.878 30.599 -6.766 247 1HG LYS 31 1HG LYS 31 -2.019 31.270 -8.373 248 2HG LYS 31 2HG LYS 31 -1.864 29.547 -8.723 249 1HD LYS 31 1HD LYS 31 -4.119 29.432 -9.504 250 2HD LYS 31 2HD LYS 31 -4.458 31.069 -8.938 251 1HE LYS 31 1HE LYS 31 -2.742 31.900 -10.545 252 2HE LYS 31 2HE LYS 31 -2.606 30.259 -11.175 253 1HZ LYS 31 1HZ LYS 31 -4.116 31.729 -12.458 254 2HZ LYS 31 2HZ LYS 31 -5.143 31.798 -11.117 255 3HZ LYS 31 3HZ LYS 31 -4.861 30.321 -11.891 256 H GLN 32 H GLN 32 -3.340 32.051 -4.817 257 HA GLN 32 HA GLN 32 -2.196 34.340 -6.010 258 1HB GLN 32 1HB GLN 32 -4.488 34.215 -5.022 259 2HB GLN 32 2HB GLN 32 -3.753 34.196 -3.424 260 1HG GLN 32 1HG GLN 32 -3.020 36.407 -5.258 261 2HG GLN 32 2HG GLN 32 -4.632 36.419 -4.547 262 1HE2 GLN 32 1HE2 GLN 32 -2.020 37.982 -4.176 263 2HE2 GLN 32 2HE2 GLN 32 -1.831 38.042 -2.459 264 H PHE 33 H PHE 33 -1.657 32.772 -2.852 265 HA PHE 33 HA PHE 33 0.083 34.755 -1.860 266 1HB PHE 33 1HB PHE 33 -0.898 33.487 -0.213 267 2HB PHE 33 2HB PHE 33 -0.707 31.986 -1.101 268 HD1 PHE 33 HD1 PHE 33 1.609 34.585 0.300 269 HD2 PHE 33 HD2 PHE 33 0.575 30.476 -0.065 270 HE1 PHE 33 HE1 PHE 33 3.537 33.977 1.712 271 HE2 PHE 33 HE2 PHE 33 2.504 29.857 1.332 272 HZ PHE 33 HZ PHE 33 3.989 31.604 2.220 273 H PHE 34 H PHE 34 0.759 31.626 -3.432 274 HA PHE 34 HA PHE 34 3.586 32.049 -3.218 275 1HB PHE 34 1HB PHE 34 1.904 29.909 -4.468 276 2HB PHE 34 2HB PHE 34 3.644 29.976 -4.758 277 HD1 PHE 34 HD1 PHE 34 1.289 28.437 -2.800 278 HD2 PHE 34 HD2 PHE 34 4.961 30.552 -2.430 279 HE1 PHE 34 HE1 PHE 34 1.689 27.363 -0.618 280 HE2 PHE 34 HE2 PHE 34 5.372 29.482 -0.261 281 HZ PHE 34 HZ PHE 34 3.737 27.889 0.654 282 H ASN 35 H ASN 35 1.204 32.690 -5.695 283 HA ASN 35 HA ASN 35 2.867 32.888 -7.932 284 1HB ASN 35 1HB ASN 35 0.314 34.272 -7.171 285 2HB ASN 35 2HB ASN 35 1.180 34.763 -8.624 286 1HD2 ASN 35 1HD2 ASN 35 1.329 31.447 -7.605 287 2HD2 ASN 35 2HD2 ASN 35 0.287 30.817 -8.826 288 H ASP 36 H ASP 36 2.494 35.005 -5.217 289 HA ASP 36 HA ASP 36 3.622 37.360 -6.229 290 1HB ASP 36 1HB ASP 36 3.720 36.287 -3.404 291 2HB ASP 36 2HB ASP 36 4.032 37.953 -3.880 292 H ASN 37 H ASN 37 5.081 34.361 -5.551 293 HA ASN 37 HA ASN 37 7.745 35.595 -5.380 294 1HB ASN 37 1HB ASN 37 8.579 33.558 -4.455 295 2HB ASN 37 2HB ASN 37 7.094 33.959 -3.601 296 1HD2 ASN 37 1HD2 ASN 37 5.872 32.285 -3.214 297 2HD2 ASN 37 2HD2 ASN 37 5.713 30.879 -4.204 298 H GLY 38 H GLY 38 5.715 33.874 -7.546 299 1HA GLY 38 1HA GLY 38 6.626 34.099 -9.882 300 2HA GLY 38 2HA GLY 38 8.058 33.306 -9.254 301 H VAL 39 H VAL 39 5.101 32.124 -7.981 302 HA VAL 39 HA VAL 39 5.483 29.640 -9.443 303 HB VAL 39 HB VAL 39 3.450 30.224 -7.289 304 1HG1 VAL 39 1HG1 VAL 39 2.950 28.261 -8.638 305 2HG1 VAL 39 2HG1 VAL 39 3.434 27.789 -7.010 306 3HG1 VAL 39 3HG1 VAL 39 4.572 27.632 -8.349 307 1HG2 VAL 39 1HG2 VAL 39 6.336 29.502 -7.136 308 2HG2 VAL 39 2HG2 VAL 39 5.223 28.830 -5.942 309 3HG2 VAL 39 3HG2 VAL 39 5.385 30.577 -6.113 310 H ASP 40 H ASP 40 3.988 28.701 -10.806 311 HA ASP 40 HA ASP 40 1.423 29.937 -11.264 312 1HB ASP 40 1HB ASP 40 3.668 30.168 -13.249 313 2HB ASP 40 2HB ASP 40 1.990 30.142 -13.784 314 H GLY 41 H GLY 41 0.488 28.849 -13.419 315 1HA GLY 41 1HA GLY 41 0.609 26.738 -14.712 316 2HA GLY 41 2HA GLY 41 1.098 25.962 -13.212 317 H GLU 42 H GLU 42 -0.579 24.506 -13.089 318 HA GLU 42 HA GLU 42 -3.122 25.629 -12.235 319 1HB GLU 42 1HB GLU 42 -2.888 23.697 -14.547 320 2HB GLU 42 2HB GLU 42 -4.397 24.084 -13.730 321 1HG GLU 42 1HG GLU 42 -3.910 26.508 -14.331 322 2HG GLU 42 2HG GLU 42 -2.680 25.867 -15.420 323 H TRP 43 H TRP 43 -4.479 24.097 -11.132 324 HA TRP 43 HA TRP 43 -2.971 22.267 -9.539 325 1HB TRP 43 1HB TRP 43 -5.893 22.977 -9.678 326 2HB TRP 43 2HB TRP 43 -5.295 21.710 -8.611 327 HD1 TRP 43 HD1 TRP 43 -5.603 25.449 -8.902 328 HE1 TRP 43 HE1 TRP 43 -4.657 26.558 -6.780 329 HE3 TRP 43 HE3 TRP 43 -3.380 21.367 -6.773 330 HZ2 TRP 43 HZ2 TRP 43 -3.165 25.803 -4.506 331 HZ3 TRP 43 HZ3 TRP 43 -2.213 21.645 -4.624 332 HH2 TRP 43 HH2 TRP 43 -2.109 23.818 -3.515 333 H THR 44 H THR 44 -2.435 20.292 -10.048 334 HA THR 44 HA THR 44 -4.130 18.813 -11.944 335 HB THR 44 HB THR 44 -2.127 17.477 -12.463 336 HG1 THR 44 HG1 THR 44 -0.501 17.554 -11.167 337 1HG2 THR 44 1HG2 THR 44 -2.623 19.710 -13.626 338 2HG2 THR 44 2HG2 THR 44 -1.025 18.989 -13.820 339 3HG2 THR 44 3HG2 THR 44 -1.259 20.325 -12.693 340 H TYR 45 H TYR 45 -4.829 16.809 -11.443 341 HA TYR 45 HA TYR 45 -5.020 16.121 -8.686 342 1HB TYR 45 1HB TYR 45 -5.934 14.831 -11.238 343 2HB TYR 45 2HB TYR 45 -6.048 13.957 -9.712 344 HD1 TYR 45 HD1 TYR 45 -7.531 16.463 -11.821 345 HD2 TYR 45 HD2 TYR 45 -7.402 14.978 -7.835 346 HE1 TYR 45 HE1 TYR 45 -9.650 17.610 -11.330 347 HE2 TYR 45 HE2 TYR 45 -9.522 16.122 -7.335 348 HH TYR 45 HH TYR 45 -11.635 17.029 -9.309 349 H ASP 46 H ASP 46 -4.070 14.460 -7.545 350 HA ASP 46 HA ASP 46 -1.449 13.703 -8.367 351 1HB ASP 46 1HB ASP 46 -3.185 13.067 -6.000 352 2HB ASP 46 2HB ASP 46 -1.678 12.193 -6.252 353 H ASP 47 H ASP 47 -0.664 11.488 -8.517 354 HA ASP 47 HA ASP 47 -2.174 9.937 -10.334 355 1HB ASP 47 1HB ASP 47 -0.353 8.261 -10.065 356 2HB ASP 47 2HB ASP 47 0.247 9.883 -10.396 357 H ALA 48 H ALA 48 -3.588 8.337 -10.030 358 HA ALA 48 HA ALA 48 -4.794 7.840 -7.586 359 1HB ALA 48 1HB ALA 48 -4.750 6.183 -10.099 360 2HB ALA 48 2HB ALA 48 -5.963 7.365 -9.607 361 3HB ALA 48 3HB ALA 48 -5.799 5.850 -8.721 362 H THR 49 H THR 49 -4.667 6.261 -6.060 363 HA THR 49 HA THR 49 -2.542 4.257 -6.289 364 HB THR 49 HB THR 49 -2.954 5.976 -3.834 365 HG1 THR 49 HG1 THR 49 -1.435 7.242 -4.554 366 1HG2 THR 49 1HG2 THR 49 -0.731 4.057 -4.486 367 2HG2 THR 49 2HG2 THR 49 -2.051 3.741 -3.360 368 3HG2 THR 49 3HG2 THR 49 -0.894 5.030 -3.024 369 H LYS 50 H LYS 50 -2.815 2.441 -4.825 370 HA LYS 50 HA LYS 50 -5.578 2.184 -3.832 371 1HB LYS 50 1HB LYS 50 -3.956 0.320 -5.517 372 2HB LYS 50 2HB LYS 50 -5.149 -0.341 -4.407 373 1HG LYS 50 1HG LYS 50 -6.904 0.932 -5.486 374 2HG LYS 50 2HG LYS 50 -5.724 1.684 -6.559 375 1HD LYS 50 1HD LYS 50 -5.946 -1.294 -6.445 376 2HD LYS 50 2HD LYS 50 -7.114 -0.361 -7.384 377 1HE LYS 50 1HE LYS 50 -4.880 0.772 -8.284 378 2HE LYS 50 2HE LYS 50 -4.215 -0.799 -7.837 379 1HZ LYS 50 1HZ LYS 50 -5.974 -1.827 -9.210 380 2HZ LYS 50 2HZ LYS 50 -4.908 -0.868 -10.107 381 3HZ LYS 50 3HZ LYS 50 -6.450 -0.285 -9.723 382 H THR 51 H THR 51 -5.678 1.844 -1.739 383 HA THR 51 HA THR 51 -3.363 0.661 -0.365 384 HB THR 51 HB THR 51 -5.555 2.507 0.602 385 HG1 THR 51 HG1 THR 51 -3.822 3.878 0.980 386 1HG2 THR 51 1HG2 THR 51 -5.065 0.858 2.369 387 2HG2 THR 51 2HG2 THR 51 -4.562 2.494 2.793 388 3HG2 THR 51 3HG2 THR 51 -3.363 1.307 2.281 389 H PHE 52 H PHE 52 -3.568 -1.229 0.713 390 HA PHE 52 HA PHE 52 -6.015 -2.720 0.383 391 1HB PHE 52 1HB PHE 52 -3.754 -3.743 0.098 392 2HB PHE 52 2HB PHE 52 -3.491 -3.542 1.827 393 HD1 PHE 52 HD1 PHE 52 -5.452 -5.321 -0.725 394 HD2 PHE 52 HD2 PHE 52 -4.492 -5.011 3.410 395 HE1 PHE 52 HE1 PHE 52 -6.538 -7.491 -0.313 396 HE2 PHE 52 HE2 PHE 52 -5.575 -7.181 3.828 397 HZ PHE 52 HZ PHE 52 -6.599 -8.423 1.965 398 H THR 53 H THR 53 -7.647 -2.666 1.772 399 HA THR 53 HA THR 53 -7.192 -1.718 4.497 400 HB THR 53 HB THR 53 -9.775 -2.318 3.038 401 HG1 THR 53 HG1 THR 53 -8.559 -0.511 2.240 402 1HG2 THR 53 1HG2 THR 53 -9.350 -0.852 5.631 403 2HG2 THR 53 2HG2 THR 53 -10.063 -2.456 5.457 404 3HG2 THR 53 3HG2 THR 53 -10.881 -1.048 4.778 405 H VAL 54 H VAL 54 -6.986 -3.082 6.149 406 HA VAL 54 HA VAL 54 -7.220 -5.898 5.792 407 HB VAL 54 HB VAL 54 -7.043 -4.534 8.466 408 1HG1 VAL 54 1HG1 VAL 54 -7.336 -6.870 8.669 409 2HG1 VAL 54 2HG1 VAL 54 -5.619 -6.566 8.932 410 3HG1 VAL 54 3HG1 VAL 54 -6.175 -7.201 7.383 411 1HG2 VAL 54 1HG2 VAL 54 -5.056 -4.611 6.283 412 2HG2 VAL 54 2HG2 VAL 54 -4.462 -5.016 7.893 413 3HG2 VAL 54 3HG2 VAL 54 -5.245 -3.462 7.607 414 H THR 55 H THR 55 -8.579 -7.338 6.992 415 HA THR 55 HA THR 55 -10.992 -6.245 8.183 416 HB THR 55 HB THR 55 -11.114 -8.120 5.816 417 HG1 THR 55 HG1 THR 55 -11.836 -5.389 6.062 418 1HG2 THR 55 1HG2 THR 55 -13.513 -7.798 5.891 419 2HG2 THR 55 2HG2 THR 55 -13.350 -6.803 7.338 420 3HG2 THR 55 3HG2 THR 55 -12.932 -8.515 7.393 421 H GLU 56 H GLU 56 -10.001 -9.386 6.864 422 HA GLU 56 HA GLU 56 -9.824 -11.452 7.801 423 1HB GLU 56 1HB GLU 56 -9.280 -9.980 10.381 424 2HB GLU 56 2HB GLU 56 -8.792 -11.618 9.968 425 1HG GLU 56 1HG GLU 56 -7.204 -10.848 8.395 426 2HG GLU 56 2HG GLU 56 -7.839 -9.204 8.459 427 1H MET 1 1H MET 1 -11.320 16.885 1.018 428 2H MET 1 2H MET 1 -10.171 17.925 1.756 429 3H MET 1 3H MET 1 -10.165 16.247 2.112 430 HA MET 1 HA MET 1 -9.545 15.722 -0.091 431 1HB MET 1 1HB MET 1 -10.050 18.653 -0.434 432 2HB MET 1 2HB MET 1 -8.871 17.864 -1.472 433 1HG MET 1 1HG MET 1 -11.471 16.508 -1.234 434 2HG MET 1 2HG MET 1 -11.488 18.073 -2.044 435 1HE MET 1 1HE MET 1 -8.499 14.858 -3.426 436 2HE MET 1 2HE MET 1 -9.466 14.633 -1.969 437 3HE MET 1 3HE MET 1 -8.288 15.944 -2.052 438 H GLN 2 H GLN 2 -7.401 15.329 -0.368 439 HA GLN 2 HA GLN 2 -5.587 16.578 1.541 440 1HB GLN 2 1HB GLN 2 -5.683 14.092 1.264 441 2HB GLN 2 2HB GLN 2 -5.055 14.292 -0.366 442 1HG GLN 2 1HG GLN 2 -3.066 15.440 0.666 443 2HG GLN 2 2HG GLN 2 -3.674 14.901 2.230 444 1HE2 GLN 2 1HE2 GLN 2 -4.153 12.513 2.340 445 2HE2 GLN 2 2HE2 GLN 2 -3.001 11.456 1.603 446 H TYR 3 H TYR 3 -4.165 18.110 1.007 447 HA TYR 3 HA TYR 3 -3.743 18.636 -1.853 448 1HB TYR 3 1HB TYR 3 -3.864 20.437 0.534 449 2HB TYR 3 2HB TYR 3 -2.981 20.942 -0.904 450 HD1 TYR 3 HD1 TYR 3 -6.219 20.584 0.624 451 HD2 TYR 3 HD2 TYR 3 -4.218 21.060 -3.100 452 HE1 TYR 3 HE1 TYR 3 -8.325 21.326 -0.407 453 HE2 TYR 3 HE2 TYR 3 -6.317 21.805 -4.140 454 HH TYR 3 HH TYR 3 -8.805 21.492 -3.693 455 H LYS 4 H LYS 4 -1.864 18.378 -2.705 456 HA LYS 4 HA LYS 4 0.490 18.017 -0.971 457 1HB LYS 4 1HB LYS 4 -0.402 16.242 -2.725 458 2HB LYS 4 2HB LYS 4 0.519 17.230 -3.850 459 1HG LYS 4 1HG LYS 4 2.464 16.948 -2.209 460 2HG LYS 4 2HG LYS 4 1.501 15.644 -1.509 461 1HD LYS 4 1HD LYS 4 2.741 14.471 -3.040 462 2HD LYS 4 2HD LYS 4 1.324 14.867 -4.014 463 1HE LYS 4 1HE LYS 4 2.453 16.608 -5.132 464 2HE LYS 4 2HE LYS 4 3.766 16.618 -3.955 465 1HZ LYS 4 1HZ LYS 4 3.192 14.529 -5.981 466 2HZ LYS 4 2HZ LYS 4 4.332 14.345 -4.745 467 3HZ LYS 4 3HZ LYS 4 4.539 15.549 -5.913 468 H VAL 5 H VAL 5 1.959 19.583 -0.939 469 HA VAL 5 HA VAL 5 2.418 21.171 -3.357 470 HB VAL 5 HB VAL 5 2.031 22.471 -0.662 471 1HG1 VAL 5 1HG1 VAL 5 1.910 24.535 -2.117 472 2HG1 VAL 5 2HG1 VAL 5 2.522 23.532 -3.433 473 3HG1 VAL 5 3HG1 VAL 5 3.495 23.774 -1.983 474 1HG2 VAL 5 1HG2 VAL 5 0.141 22.414 -3.012 475 2HG2 VAL 5 2HG2 VAL 5 -0.085 23.320 -1.516 476 3HG2 VAL 5 3HG2 VAL 5 -0.087 21.557 -1.488 477 H ILE 6 H ILE 6 4.494 21.470 -3.755 478 HA ILE 6 HA ILE 6 6.454 20.665 -1.748 479 HB ILE 6 HB ILE 6 6.981 21.435 -4.616 480 1HG1 ILE 6 1HG1 ILE 6 6.560 18.653 -3.504 481 2HG1 ILE 6 2HG1 ILE 6 5.343 19.549 -4.410 482 1HG2 ILE 6 1HG2 ILE 6 9.018 21.463 -3.514 483 2HG2 ILE 6 2HG2 ILE 6 8.945 19.818 -4.146 484 3HG2 ILE 6 3HG2 ILE 6 8.576 20.128 -2.450 485 1HD1 ILE 6 1HD1 ILE 6 7.906 18.352 -5.357 486 2HD1 ILE 6 2HD1 ILE 6 7.173 19.697 -6.232 487 3HD1 ILE 6 3HD1 ILE 6 6.278 18.192 -6.016 488 H LEU 7 H LEU 7 7.429 22.132 -0.507 489 HA LEU 7 HA LEU 7 7.966 24.796 -1.622 490 1HB LEU 7 1HB LEU 7 5.979 24.386 0.195 491 2HB LEU 7 2HB LEU 7 7.333 24.727 1.255 492 HG LEU 7 HG LEU 7 7.708 26.847 -0.043 493 1HD1 LEU 7 1HD1 LEU 7 4.936 26.465 -1.106 494 2HD1 LEU 7 2HD1 LEU 7 6.345 25.929 -2.020 495 3HD1 LEU 7 3HD1 LEU 7 6.166 27.631 -1.595 496 1HD2 LEU 7 1HD2 LEU 7 5.805 28.036 1.003 497 2HD2 LEU 7 2HD2 LEU 7 6.602 26.909 2.101 498 3HD2 LEU 7 3HD2 LEU 7 5.063 26.475 1.358 499 H ASN 8 H ASN 8 10.105 24.988 -1.669 500 HA ASN 8 HA ASN 8 11.639 24.556 0.743 501 1HB ASN 8 1HB ASN 8 11.521 22.418 -0.892 502 2HB ASN 8 2HB ASN 8 12.864 23.282 -1.634 503 1HD2 ASN 8 1HD2 ASN 8 14.560 22.089 -1.035 504 2HD2 ASN 8 2HD2 ASN 8 15.002 21.745 0.599 505 H GLY 9 H GLY 9 12.159 24.995 -2.742 506 1HA GLY 9 1HA GLY 9 13.126 26.732 -3.908 507 2HA GLY 9 2HA GLY 9 13.046 27.691 -2.437 508 H LYS 10 H LYS 10 14.760 27.506 -0.897 509 HA LYS 10 HA LYS 10 17.125 26.012 -1.551 510 1HB LYS 10 1HB LYS 10 16.894 28.479 -2.780 511 2HB LYS 10 2HB LYS 10 17.866 28.833 -1.360 512 1HG LYS 10 1HG LYS 10 19.318 26.860 -2.072 513 2HG LYS 10 2HG LYS 10 18.470 26.955 -3.617 514 1HD LYS 10 1HD LYS 10 19.932 29.259 -2.333 515 2HD LYS 10 2HD LYS 10 20.623 28.205 -3.568 516 1HE LYS 10 1HE LYS 10 18.000 29.456 -4.153 517 2HE LYS 10 2HE LYS 10 19.414 30.509 -4.153 518 1HZ LYS 10 1HZ LYS 10 18.750 28.289 -5.947 519 2HZ LYS 10 2HZ LYS 10 20.382 28.600 -5.631 520 3HZ LYS 10 3HZ LYS 10 19.408 29.806 -6.306 521 H THR 11 H THR 11 19.014 27.164 -0.057 522 HA THR 11 HA THR 11 18.054 28.160 2.444 523 HB THR 11 HB THR 11 17.395 25.861 2.785 524 HG1 THR 11 HG1 THR 11 18.106 26.278 4.706 525 1HG2 THR 11 1HG2 THR 11 18.574 24.017 2.294 526 2HG2 THR 11 2HG2 THR 11 20.120 24.761 2.704 527 3HG2 THR 11 3HG2 THR 11 19.370 25.091 1.142 528 H LEU 12 H LEU 12 19.979 28.973 0.528 529 HA LEU 12 HA LEU 12 22.492 28.629 2.024 530 1HB LEU 12 1HB LEU 12 22.346 27.899 -0.428 531 2HB LEU 12 2HB LEU 12 22.278 29.610 -0.810 532 HG LEU 12 HG LEU 12 24.520 28.667 0.905 533 1HD1 LEU 12 1HD1 LEU 12 24.771 26.989 -0.669 534 2HD1 LEU 12 2HD1 LEU 12 25.764 28.287 -1.331 535 3HD1 LEU 12 3HD1 LEU 12 24.153 27.988 -1.984 536 1HD2 LEU 12 1HD2 LEU 12 23.957 30.851 -1.039 537 2HD2 LEU 12 2HD2 LEU 12 25.627 30.343 -0.790 538 3HD2 LEU 12 3HD2 LEU 12 24.671 30.929 0.571 539 H LYS 13 H LYS 13 20.323 30.939 0.514 540 HA LYS 13 HA LYS 13 20.061 33.186 0.750 541 1HB LYS 13 1HB LYS 13 21.360 32.398 3.323 542 2HB LYS 13 2HB LYS 13 21.167 34.108 2.962 543 1HG LYS 13 1HG LYS 13 19.276 33.574 4.201 544 2HG LYS 13 2HG LYS 13 18.708 33.547 2.531 545 1HD LYS 13 1HD LYS 13 18.401 31.293 2.525 546 2HD LYS 13 2HD LYS 13 19.732 31.001 3.646 547 1HE LYS 13 1HE LYS 13 17.149 32.291 4.488 548 2HE LYS 13 2HE LYS 13 17.393 30.545 4.516 549 1HZ LYS 13 1HZ LYS 13 17.841 31.790 6.650 550 2HZ LYS 13 2HZ LYS 13 19.225 32.411 5.902 551 3HZ LYS 13 3HZ LYS 13 19.063 30.742 6.127 552 H GLY 14 H GLY 14 22.191 32.317 -0.874 553 1HA GLY 14 1HA GLY 14 24.605 33.710 -0.315 554 2HA GLY 14 2HA GLY 14 24.127 33.054 -1.874 555 H GLU 15 H GLU 15 22.177 34.383 -2.841 556 HA GLU 15 HA GLU 15 23.144 37.122 -3.011 557 1HB GLU 15 1HB GLU 15 21.370 35.393 -4.685 558 2HB GLU 15 2HB GLU 15 21.245 37.140 -4.837 559 1HG GLU 15 1HG GLU 15 23.180 37.311 -5.944 560 2HG GLU 15 2HG GLU 15 23.983 36.114 -4.928 561 H THR 16 H THR 16 21.307 38.802 -3.386 562 HA THR 16 HA THR 16 19.830 38.956 -0.948 563 HB THR 16 HB THR 16 19.638 40.719 -3.398 564 HG1 THR 16 HG1 THR 16 21.280 40.952 -1.099 565 1HG2 THR 16 1HG2 THR 16 19.254 42.356 -1.298 566 2HG2 THR 16 2HG2 THR 16 18.470 40.888 -0.711 567 3HG2 THR 16 3HG2 THR 16 17.952 41.619 -2.231 568 H THR 17 H THR 17 18.530 37.027 -1.149 569 HA THR 17 HA THR 17 16.087 37.526 -2.702 570 HB THR 17 HB THR 17 17.223 34.754 -2.414 571 HG1 THR 17 HG1 THR 17 18.747 35.456 -3.688 572 1HG2 THR 17 1HG2 THR 17 15.025 34.575 -3.120 573 2HG2 THR 17 2HG2 THR 17 15.945 34.525 -4.624 574 3HG2 THR 17 3HG2 THR 17 15.130 36.013 -4.137 575 H THR 18 H THR 18 17.473 35.280 -0.305 576 HA THR 18 HA THR 18 16.653 34.385 1.609 577 HB THR 18 HB THR 18 15.451 35.885 3.112 578 HG1 THR 18 HG1 THR 18 14.734 37.885 2.380 579 1HG2 THR 18 1HG2 THR 18 17.189 37.882 1.859 580 2HG2 THR 18 2HG2 THR 18 17.956 36.336 2.223 581 3HG2 THR 18 3HG2 THR 18 17.172 37.255 3.507 582 H GLU 19 H GLU 19 13.681 36.198 0.965 583 HA GLU 19 HA GLU 19 11.999 34.017 1.451 584 1HB GLU 19 1HB GLU 19 11.487 36.558 -0.101 585 2HB GLU 19 2HB GLU 19 10.233 35.416 0.360 586 1HG GLU 19 1HG GLU 19 11.030 35.778 2.756 587 2HG GLU 19 2HG GLU 19 11.901 37.174 2.121 588 H ALA 20 H ALA 20 11.691 32.240 0.299 589 HA ALA 20 HA ALA 20 11.124 32.286 -2.483 590 1HB ALA 20 1HB ALA 20 13.118 30.729 -3.037 591 2HB ALA 20 2HB ALA 20 13.869 31.468 -1.623 592 3HB ALA 20 3HB ALA 20 13.376 32.473 -2.986 593 H VAL 21 H VAL 21 9.334 31.253 -1.350 594 HA VAL 21 HA VAL 21 8.121 29.478 -0.532 595 HB VAL 21 HB VAL 21 8.532 27.333 -1.843 596 1HG1 VAL 21 1HG1 VAL 21 8.214 29.568 -3.774 597 2HG1 VAL 21 2HG1 VAL 21 7.073 29.458 -2.434 598 3HG1 VAL 21 3HG1 VAL 21 7.244 28.112 -3.560 599 1HG2 VAL 21 1HG2 VAL 21 10.454 29.097 -3.356 600 2HG2 VAL 21 2HG2 VAL 21 9.983 27.450 -3.774 601 3HG2 VAL 21 3HG2 VAL 21 10.919 27.755 -2.312 602 H ASP 22 H ASP 22 9.184 29.641 1.559 603 HA ASP 22 HA ASP 22 11.142 27.524 2.113 604 1HB ASP 22 1HB ASP 22 11.682 29.857 2.808 605 2HB ASP 22 2HB ASP 22 10.296 29.813 3.894 606 H ALA 23 H ALA 23 10.845 25.980 3.613 607 HA ALA 23 HA ALA 23 8.343 24.882 3.992 608 1HB ALA 23 1HB ALA 23 10.955 24.208 4.583 609 2HB ALA 23 2HB ALA 23 9.526 23.211 4.869 610 3HB ALA 23 3HB ALA 23 10.158 24.236 6.158 611 H ALA 24 H ALA 24 10.188 26.986 6.170 612 HA ALA 24 HA ALA 24 8.370 26.922 8.324 613 1HB ALA 24 1HB ALA 24 10.653 27.667 8.632 614 2HB ALA 24 2HB ALA 24 9.538 28.951 9.101 615 3HB ALA 24 3HB ALA 24 10.379 29.036 7.554 616 H THR 25 H THR 25 8.546 28.834 5.402 617 HA THR 25 HA THR 25 6.727 30.864 6.114 618 HB THR 25 HB THR 25 7.491 29.699 3.432 619 HG1 THR 25 HG1 THR 25 8.839 31.430 3.324 620 1HG2 THR 25 1HG2 THR 25 6.674 32.230 2.892 621 2HG2 THR 25 2HG2 THR 25 5.455 31.689 4.048 622 3HG2 THR 25 3HG2 THR 25 5.745 30.765 2.571 623 H PHE 26 H PHE 26 6.323 27.658 4.756 624 HA PHE 26 HA PHE 26 3.577 27.843 4.128 625 1HB PHE 26 1HB PHE 26 5.240 26.050 3.385 626 2HB PHE 26 2HB PHE 26 4.983 25.309 4.962 627 HD1 PHE 26 HD1 PHE 26 3.134 26.493 1.960 628 HD2 PHE 26 HD2 PHE 26 3.249 23.809 5.261 629 HE1 PHE 26 HE1 PHE 26 1.143 25.341 1.087 630 HE2 PHE 26 HE2 PHE 26 1.258 22.652 4.395 631 HZ PHE 26 HZ PHE 26 0.202 23.418 2.305 632 H GLU 27 H GLU 27 5.250 26.522 6.973 633 HA GLU 27 HA GLU 27 3.013 25.724 8.417 634 1HB GLU 27 1HB GLU 27 5.668 26.755 9.422 635 2HB GLU 27 2HB GLU 27 4.473 25.944 10.424 636 1HG GLU 27 1HG GLU 27 4.675 23.942 9.019 637 2HG GLU 27 2HG GLU 27 5.909 24.758 8.059 638 H LYS 28 H LYS 28 4.733 28.842 8.566 639 HA LYS 28 HA LYS 28 3.060 29.978 10.523 640 1HB LYS 28 1HB LYS 28 5.374 30.742 9.818 641 2HB LYS 28 2HB LYS 28 4.601 31.518 8.443 642 1HG LYS 28 1HG LYS 28 3.362 32.975 9.863 643 2HG LYS 28 2HG LYS 28 3.871 32.092 11.303 644 1HD LYS 28 1HD LYS 28 5.256 33.970 11.285 645 2HD LYS 28 2HD LYS 28 6.262 32.701 10.584 646 1HE LYS 28 1HE LYS 28 5.334 33.565 8.322 647 2HE LYS 28 2HE LYS 28 4.916 35.013 9.239 648 1HZ LYS 28 1HZ LYS 28 7.140 35.034 8.105 649 2HZ LYS 28 2HZ LYS 28 7.648 33.865 9.218 650 3HZ LYS 28 3HZ LYS 28 7.167 35.395 9.759 651 H VAL 29 H VAL 29 3.050 30.432 6.962 652 HA VAL 29 HA VAL 29 0.856 32.196 6.940 653 HB VAL 29 HB VAL 29 1.805 30.350 4.746 654 1HG1 VAL 29 1HG1 VAL 29 0.653 31.869 3.224 655 2HG1 VAL 29 2HG1 VAL 29 0.077 32.821 4.593 656 3HG1 VAL 29 3HG1 VAL 29 -0.482 31.160 4.377 657 1HG2 VAL 29 1HG2 VAL 29 3.310 32.237 5.871 658 2HG2 VAL 29 2HG2 VAL 29 2.403 33.253 4.750 659 3HG2 VAL 29 3HG2 VAL 29 3.354 31.900 4.141 660 H VAL 30 H VAL 30 1.051 28.688 6.540 661 HA VAL 30 HA VAL 30 -1.704 28.351 5.955 662 HB VAL 30 HB VAL 30 0.273 26.308 6.981 663 1HG1 VAL 30 1HG1 VAL 30 -2.400 25.934 5.632 664 2HG1 VAL 30 2HG1 VAL 30 -2.031 25.589 7.321 665 3HG1 VAL 30 3HG1 VAL 30 -1.266 24.648 6.041 666 1HG2 VAL 30 1HG2 VAL 30 -0.613 26.482 4.143 667 2HG2 VAL 30 2HG2 VAL 30 0.898 25.875 4.818 668 3HG2 VAL 30 3HG2 VAL 30 0.612 27.612 4.721 669 H LYS 31 H LYS 31 0.159 27.945 8.975 670 HA LYS 31 HA LYS 31 -2.029 27.045 10.504 671 1HB LYS 31 1HB LYS 31 0.373 26.825 11.147 672 2HB LYS 31 2HB LYS 31 0.408 28.553 11.466 673 1HG LYS 31 1HG LYS 31 -1.490 28.121 13.109 674 2HG LYS 31 2HG LYS 31 -1.082 26.411 12.943 675 1HD LYS 31 1HD LYS 31 1.131 26.787 13.763 676 2HD LYS 31 2HD LYS 31 0.913 28.538 13.705 677 1HE LYS 31 1HE LYS 31 -0.898 28.295 15.402 678 2HE LYS 31 2HE LYS 31 -0.485 26.586 15.529 679 1HZ LYS 31 1HZ LYS 31 0.548 28.023 17.247 680 2HZ LYS 31 2HZ LYS 31 1.440 28.787 16.030 681 3HZ LYS 31 3HZ LYS 31 1.668 27.140 16.338 682 H GLN 32 H GLN 32 -0.646 30.259 9.991 683 HA GLN 32 HA GLN 32 -2.390 31.635 11.736 684 1HB GLN 32 1HB GLN 32 -0.223 32.519 10.863 685 2HB GLN 32 2HB GLN 32 -0.989 32.730 9.294 686 1HG GLN 32 1HG GLN 32 -2.289 33.979 11.648 687 2HG GLN 32 2HG GLN 32 -0.796 34.697 11.045 688 1HE2 GLN 32 1HE2 GLN 32 -3.781 35.403 11.016 689 2HE2 GLN 32 2HE2 GLN 32 -4.059 35.890 9.382 690 H PHE 33 H PHE 33 -2.560 30.950 8.239 691 HA PHE 33 HA PHE 33 -4.876 32.489 7.778 692 1HB PHE 33 1HB PHE 33 -3.628 32.118 5.885 693 2HB PHE 33 2HB PHE 33 -3.301 30.444 6.294 694 HD1 PHE 33 HD1 PHE 33 -6.372 32.479 5.591 695 HD2 PHE 33 HD2 PHE 33 -4.095 28.974 4.809 696 HE1 PHE 33 HE1 PHE 33 -8.079 31.734 3.975 697 HE2 PHE 33 HE2 PHE 33 -5.798 28.215 3.203 698 HZ PHE 33 HZ PHE 33 -7.793 29.591 2.784 699 H PHE 34 H PHE 34 -4.468 28.993 8.352 700 HA PHE 34 HA PHE 34 -7.293 28.555 8.138 701 1HB PHE 34 1HB PHE 34 -4.970 26.783 8.798 702 2HB PHE 34 2HB PHE 34 -6.629 26.218 9.012 703 HD1 PHE 34 HD1 PHE 34 -4.007 26.119 6.807 704 HD2 PHE 34 HD2 PHE 34 -8.168 26.998 6.890 705 HE1 PHE 34 HE1 PHE 34 -4.154 25.650 4.394 706 HE2 PHE 34 HE2 PHE 34 -8.325 26.524 4.487 707 HZ PHE 34 HZ PHE 34 -6.322 25.855 3.230 708 H ASN 35 H ASN 35 -5.117 29.169 10.802 709 HA ASN 35 HA ASN 35 -6.651 28.188 12.921 710 1HB ASN 35 1HB ASN 35 -4.697 30.457 12.711 711 2HB ASN 35 2HB ASN 35 -5.603 30.215 14.201 712 1HD2 ASN 35 1HD2 ASN 35 -4.758 27.456 12.267 713 2HD2 ASN 35 2HD2 ASN 35 -3.515 26.861 13.305 714 H ASP 36 H ASP 36 -7.086 31.000 10.948 715 HA ASP 36 HA ASP 36 -8.843 32.490 12.539 716 1HB ASP 36 1HB ASP 36 -8.734 32.297 9.522 717 2HB ASP 36 2HB ASP 36 -9.528 33.573 10.442 718 H ASN 37 H ASN 37 -9.323 29.514 10.961 719 HA ASN 37 HA ASN 37 -12.244 29.849 11.027 720 1HB ASN 37 1HB ASN 37 -12.444 28.007 9.519 721 2HB ASN 37 2HB ASN 37 -11.200 29.080 8.887 722 1HD2 ASN 37 1HD2 ASN 37 -9.536 28.057 8.093 723 2HD2 ASN 37 2HD2 ASN 37 -8.900 26.548 8.644 724 H GLY 38 H GLY 38 -9.680 28.304 12.703 725 1HA GLY 38 1HA GLY 38 -10.504 27.553 14.959 726 2HA GLY 38 2HA GLY 38 -11.645 26.567 14.063 727 H VAL 39 H VAL 39 -8.531 26.784 12.644 728 HA VAL 39 HA VAL 39 -8.051 23.994 13.312 729 HB VAL 39 HB VAL 39 -6.405 25.777 11.516 730 1HG1 VAL 39 1HG1 VAL 39 -5.254 23.768 12.268 731 2HG1 VAL 39 2HG1 VAL 39 -5.642 23.656 10.551 732 3HG1 VAL 39 3HG1 VAL 39 -6.610 22.775 11.734 733 1HG2 VAL 39 1HG2 VAL 39 -8.925 24.266 11.026 734 2HG2 VAL 39 2HG2 VAL 39 -7.715 24.346 9.744 735 3HG2 VAL 39 3HG2 VAL 39 -8.405 25.831 10.400 736 H ASP 40 H ASP 40 -6.275 23.220 14.417 737 HA ASP 40 HA ASP 40 -4.203 25.008 15.330 738 1HB ASP 40 1HB ASP 40 -6.313 23.950 17.192 739 2HB ASP 40 2HB ASP 40 -4.688 24.295 17.775 740 H GLY 41 H GLY 41 -2.873 23.699 17.120 741 1HA GLY 41 1HA GLY 41 -2.272 21.379 17.750 742 2HA GLY 41 2HA GLY 41 -2.563 20.952 16.070 743 H GLU 42 H GLU 42 -0.523 20.193 15.612 744 HA GLU 42 HA GLU 42 1.499 22.247 15.239 745 1HB GLU 42 1HB GLU 42 1.989 19.762 16.887 746 2HB GLU 42 2HB GLU 42 3.261 20.817 16.285 747 1HG GLU 42 1HG GLU 42 2.072 22.689 17.532 748 2HG GLU 42 2HG GLU 42 1.155 21.413 18.333 749 H TRP 43 H TRP 43 3.212 21.599 13.806 750 HA TRP 43 HA TRP 43 2.278 19.930 11.686 751 1HB TRP 43 1HB TRP 43 4.835 21.444 12.162 752 2HB TRP 43 2HB TRP 43 4.613 20.416 10.749 753 HD1 TRP 43 HD1 TRP 43 3.751 23.814 12.114 754 HE1 TRP 43 HE1 TRP 43 2.409 25.132 10.357 755 HE3 TRP 43 HE3 TRP 43 2.817 20.033 8.802 756 HZ2 TRP 43 HZ2 TRP 43 1.122 24.634 7.894 757 HZ3 TRP 43 HZ3 TRP 43 1.523 20.537 6.771 758 HH2 TRP 43 HH2 TRP 43 0.693 22.790 6.328 759 H THR 44 H THR 44 2.408 17.827 11.583 760 HA THR 44 HA THR 44 4.567 16.472 13.051 761 HB THR 44 HB THR 44 3.106 14.489 13.069 762 HG1 THR 44 HG1 THR 44 1.480 14.427 11.775 763 1HG2 THR 44 1HG2 THR 44 2.940 16.332 14.849 764 2HG2 THR 44 2HG2 THR 44 1.659 15.124 14.755 765 3HG2 THR 44 3HG2 THR 44 1.407 16.731 14.072 766 H TYR 45 H TYR 45 5.832 15.019 12.031 767 HA TYR 45 HA TYR 45 6.099 15.247 9.204 768 1HB TYR 45 1HB TYR 45 7.488 13.633 11.321 769 2HB TYR 45 2HB TYR 45 7.796 13.312 9.616 770 HD1 TYR 45 HD1 TYR 45 8.525 15.440 12.420 771 HD2 TYR 45 HD2 TYR 45 8.671 15.198 8.174 772 HE1 TYR 45 HE1 TYR 45 10.156 17.280 12.376 773 HE2 TYR 45 HE2 TYR 45 10.303 17.037 8.119 774 HH TYR 45 HH TYR 45 12.122 17.953 10.371 775 H ASP 46 H ASP 46 5.660 13.777 7.592 776 HA ASP 46 HA ASP 46 3.447 12.036 8.038 777 1HB ASP 46 1HB ASP 46 5.183 12.678 5.672 778 2HB ASP 46 2HB ASP 46 4.035 11.345 5.593 779 H ASP 47 H ASP 47 3.402 9.740 7.514 780 HA ASP 47 HA ASP 47 5.403 8.289 8.883 781 1HB ASP 47 1HB ASP 47 4.190 6.278 8.054 782 2HB ASP 47 2HB ASP 47 3.129 7.463 8.809 783 H ALA 48 H ALA 48 7.238 7.374 8.208 784 HA ALA 48 HA ALA 48 8.433 7.994 5.788 785 1HB ALA 48 1HB ALA 48 9.013 5.754 7.715 786 2HB ALA 48 2HB ALA 48 9.778 7.342 7.642 787 3HB ALA 48 3HB ALA 48 10.051 6.172 6.351 788 H THR 49 H THR 49 8.721 6.965 3.861 789 HA THR 49 HA THR 49 7.336 4.421 3.404 790 HB THR 49 HB THR 49 7.076 6.810 1.566 791 HG1 THR 49 HG1 THR 49 5.268 7.272 2.542 792 1HG2 THR 49 1HG2 THR 49 5.599 4.191 1.534 793 2HG2 THR 49 2HG2 THR 49 6.897 4.641 0.429 794 3HG2 THR 49 3HG2 THR 49 5.381 5.542 0.423 795 H LYS 50 H LYS 50 8.091 3.279 1.492 796 HA LYS 50 HA LYS 50 10.747 4.192 0.597 797 1HB LYS 50 1HB LYS 50 9.869 1.514 1.599 798 2HB LYS 50 2HB LYS 50 11.154 1.604 0.403 799 1HG LYS 50 1HG LYS 50 12.475 2.995 1.881 800 2HG LYS 50 2HG LYS 50 11.171 3.000 3.071 801 1HD LYS 50 1HD LYS 50 12.306 0.405 2.115 802 2HD LYS 50 2HD LYS 50 13.168 1.344 3.334 803 1HE LYS 50 1HE LYS 50 10.739 1.415 4.419 804 2HE LYS 50 2HE LYS 50 10.575 -0.087 3.510 805 1HZ LYS 50 1HZ LYS 50 12.632 -0.864 4.607 806 2HZ LYS 50 2HZ LYS 50 11.365 -0.586 5.692 807 3HZ LYS 50 3HZ LYS 50 12.627 0.532 5.563 808 H THR 51 H THR 51 10.852 4.511 -1.500 809 HA THR 51 HA THR 51 8.958 3.111 -3.261 810 HB THR 51 HB THR 51 10.417 5.744 -3.558 811 HG1 THR 51 HG1 THR 51 8.330 6.555 -3.605 812 1HG2 THR 51 1HG2 THR 51 10.384 4.603 -5.743 813 2HG2 THR 51 2HG2 THR 51 9.374 6.048 -5.705 814 3HG2 THR 51 3HG2 THR 51 8.632 4.450 -5.610 815 H PHE 52 H PHE 52 9.692 1.773 -4.826 816 HA PHE 52 HA PHE 52 12.495 1.092 -4.823 817 1HB PHE 52 1HB PHE 52 10.684 -0.624 -4.948 818 2HB PHE 52 2HB PHE 52 10.289 -0.031 -6.558 819 HD1 PHE 52 HD1 PHE 52 12.828 -1.759 -4.533 820 HD2 PHE 52 HD2 PHE 52 11.625 -0.595 -8.446 821 HE1 PHE 52 HE1 PHE 52 14.515 -3.268 -5.497 822 HE2 PHE 52 HE2 PHE 52 13.309 -2.101 -9.417 823 HZ PHE 52 HZ PHE 52 14.758 -3.441 -7.942 824 H THR 53 H THR 53 13.960 2.048 -6.061 825 HA THR 53 HA THR 53 13.105 3.545 -8.418 826 HB THR 53 HB THR 53 15.810 3.388 -7.073 827 HG1 THR 53 HG1 THR 53 14.136 4.421 -5.848 828 1HG2 THR 53 1HG2 THR 53 14.830 5.324 -9.156 829 2HG2 THR 53 2HG2 THR 53 16.015 4.043 -9.414 830 3HG2 THR 53 3HG2 THR 53 16.385 5.380 -8.325 831 H VAL 54 H VAL 54 13.257 2.720 -10.400 832 HA VAL 54 HA VAL 54 14.373 0.139 -10.852 833 HB VAL 54 HB VAL 54 13.654 2.085 -13.029 834 1HG1 VAL 54 1HG1 VAL 54 14.655 0.119 -13.879 835 2HG1 VAL 54 2HG1 VAL 54 12.918 -0.069 -14.125 836 3HG1 VAL 54 3HG1 VAL 54 13.717 -0.913 -12.798 837 1HG2 VAL 54 1HG2 VAL 54 11.897 0.769 -11.056 838 2HG2 VAL 54 2HG2 VAL 54 11.385 0.674 -12.740 839 3HG2 VAL 54 3HG2 VAL 54 11.652 2.246 -11.987 840 H THR 55 H THR 55 16.055 -0.397 -12.353 841 HA THR 55 HA THR 55 17.948 1.685 -13.064 842 HB THR 55 HB THR 55 18.760 -0.652 -11.331 843 HG1 THR 55 HG1 THR 55 18.588 2.116 -10.748 844 1HG2 THR 55 1HG2 THR 55 20.933 0.408 -11.198 845 2HG2 THR 55 2HG2 THR 55 20.400 1.674 -12.304 846 3HG2 THR 55 3HG2 THR 55 20.536 0.008 -12.868 847 H GLU 56 H GLU 56 18.055 -1.847 -12.747 848 HA GLU 56 HA GLU 56 18.488 -3.505 -14.244 849 1HB GLU 56 1HB GLU 56 17.391 -1.605 -16.318 850 2HB GLU 56 2HB GLU 56 17.459 -3.358 -16.415 851 1HG GLU 56 1HG GLU 56 15.786 -3.607 -14.763 852 2HG GLU 56 2HG GLU 56 15.870 -1.902 -14.324 853 1H MET 1 1H MET 1 6.322 -0.184 8.984 854 2H MET 1 2H MET 1 5.492 -1.104 7.796 855 3H MET 1 3H MET 1 4.767 0.306 8.454 856 HA MET 1 HA MET 1 6.406 1.675 7.477 857 1HB MET 1 1HB MET 1 7.595 -1.000 6.850 858 2HB MET 1 2HB MET 1 7.919 0.351 5.771 859 1HG MET 1 1HG MET 1 8.317 0.878 8.639 860 2HG MET 1 2HG MET 1 9.428 -0.275 7.904 861 1HE MET 1 1HE MET 1 8.824 3.837 5.927 862 2HE MET 1 2HE MET 1 7.805 3.316 7.270 863 3HE MET 1 3HE MET 1 7.770 2.435 5.742 864 H GLN 2 H GLN 2 5.786 2.641 5.604 865 HA GLN 2 HA GLN 2 3.710 1.294 4.063 866 1HB GLN 2 1HB GLN 2 3.396 3.626 4.917 867 2HB GLN 2 2HB GLN 2 4.688 4.147 3.843 868 1HG GLN 2 1HG GLN 2 3.317 3.231 1.939 869 2HG GLN 2 2HG GLN 2 1.997 3.044 3.093 870 1HE2 GLN 2 1HE2 GLN 2 1.498 5.065 4.365 871 2HE2 GLN 2 2HE2 GLN 2 1.491 6.552 3.486 872 H TYR 3 H TYR 3 4.046 0.422 2.119 873 HA TYR 3 HA TYR 3 6.598 1.013 0.788 874 1HB TYR 3 1HB TYR 3 4.923 -1.462 0.931 875 2HB TYR 3 2HB TYR 3 6.022 -1.222 -0.425 876 HD1 TYR 3 HD1 TYR 3 5.728 -2.194 3.027 877 HD2 TYR 3 HD2 TYR 3 8.475 -0.883 0.054 878 HE1 TYR 3 HE1 TYR 3 7.597 -3.027 4.393 879 HE2 TYR 3 HE2 TYR 3 10.349 -1.713 1.410 880 HH TYR 3 HH TYR 3 10.767 -2.175 3.885 881 H LYS 4 H LYS 4 6.628 1.988 -1.050 882 HA LYS 4 HA LYS 4 4.129 2.294 -2.580 883 1HB LYS 4 1HB LYS 4 5.606 4.289 -1.649 884 2HB LYS 4 2HB LYS 4 6.524 3.992 -3.118 885 1HG LYS 4 1HG LYS 4 4.276 4.160 -4.331 886 2HG LYS 4 2HG LYS 4 3.678 4.878 -2.833 887 1HD LYS 4 1HD LYS 4 4.330 6.762 -3.969 888 2HD LYS 4 2HD LYS 4 5.815 6.391 -3.089 889 1HE LYS 4 1HE LYS 4 6.833 5.457 -4.996 890 2HE LYS 4 2HE LYS 4 5.301 5.364 -5.865 891 1HZ LYS 4 1HZ LYS 4 6.832 7.813 -5.189 892 2HZ LYS 4 2HZ LYS 4 5.264 7.835 -5.819 893 3HZ LYS 4 3HZ LYS 4 6.530 7.184 -6.732 894 H VAL 5 H VAL 5 3.947 1.212 -4.425 895 HA VAL 5 HA VAL 5 6.343 0.697 -6.031 896 HB VAL 5 HB VAL 5 4.364 -1.490 -5.394 897 1HG1 VAL 5 1HG1 VAL 5 6.213 -2.906 -6.377 898 2HG1 VAL 5 2HG1 VAL 5 6.941 -1.403 -6.944 899 3HG1 VAL 5 3HG1 VAL 5 5.340 -1.878 -7.512 900 1HG2 VAL 5 1HG2 VAL 5 7.151 -1.097 -4.306 901 2HG2 VAL 5 2HG2 VAL 5 6.103 -2.484 -4.006 902 3HG2 VAL 5 3HG2 VAL 5 5.653 -0.891 -3.398 903 H ILE 6 H ILE 6 6.024 1.058 -8.110 904 HA ILE 6 HA ILE 6 3.315 1.581 -9.062 905 HB ILE 6 HB ILE 6 5.894 1.980 -10.573 906 1HG1 ILE 6 1HG1 ILE 6 4.374 4.032 -8.951 907 2HG1 ILE 6 2HG1 ILE 6 5.843 3.232 -8.402 908 1HG2 ILE 6 1HG2 ILE 6 4.172 2.068 -12.120 909 2HG2 ILE 6 2HG2 ILE 6 4.375 3.761 -11.670 910 3HG2 ILE 6 3HG2 ILE 6 3.052 2.819 -10.982 911 1HD1 ILE 6 1HD1 ILE 6 5.489 5.257 -10.561 912 2HD1 ILE 6 2HD1 ILE 6 6.864 4.153 -10.595 913 3HD1 ILE 6 3HD1 ILE 6 6.632 5.233 -9.219 914 H LEU 7 H LEU 7 2.198 0.062 -10.102 915 HA LEU 7 HA LEU 7 3.649 -1.854 -11.790 916 1HB LEU 7 1HB LEU 7 2.627 -2.575 -9.370 917 2HB LEU 7 2HB LEU 7 1.267 -2.918 -10.421 918 HG LEU 7 HG LEU 7 2.810 -4.318 -11.827 919 1HD1 LEU 7 1HD1 LEU 7 4.677 -4.275 -9.488 920 2HD1 LEU 7 2HD1 LEU 7 4.863 -3.138 -10.823 921 3HD1 LEU 7 3HD1 LEU 7 4.954 -4.874 -11.123 922 1HD2 LEU 7 1HD2 LEU 7 2.840 -6.210 -10.231 923 2HD2 LEU 7 2HD2 LEU 7 1.292 -5.364 -10.268 924 3HD2 LEU 7 3HD2 LEU 7 2.414 -5.087 -8.938 925 H ASN 8 H ASN 8 2.965 -1.495 -13.799 926 HA ASN 8 HA ASN 8 0.130 -1.546 -14.373 927 1HB ASN 8 1HB ASN 8 1.130 0.919 -13.982 928 2HB ASN 8 2HB ASN 8 1.527 0.715 -15.685 929 1HD2 ASN 8 1HD2 ASN 8 0.091 1.995 -16.658 930 2HD2 ASN 8 2HD2 ASN 8 -1.624 1.861 -16.499 931 H GLY 9 H GLY 9 3.082 -0.513 -16.057 932 1HA GLY 9 1HA GLY 9 4.253 -1.890 -17.628 933 2HA GLY 9 2HA GLY 9 2.772 -2.802 -17.876 934 H LYS 10 H LYS 10 3.630 0.656 -18.050 935 HA LYS 10 HA LYS 10 3.282 2.225 -19.660 936 1HB LYS 10 1HB LYS 10 3.683 -0.264 -21.283 937 2HB LYS 10 2HB LYS 10 3.239 1.239 -22.080 938 1HG LYS 10 1HG LYS 10 5.512 1.313 -20.180 939 2HG LYS 10 2HG LYS 10 5.759 0.512 -21.733 940 1HD LYS 10 1HD LYS 10 4.656 2.682 -22.691 941 2HD LYS 10 2HD LYS 10 5.151 3.378 -21.147 942 1HE LYS 10 1HE LYS 10 7.451 2.793 -21.569 943 2HE LYS 10 2HE LYS 10 7.000 1.937 -23.044 944 1HZ LYS 10 1HZ LYS 10 6.478 4.826 -22.666 945 2HZ LYS 10 2HZ LYS 10 6.452 3.942 -24.108 946 3HZ LYS 10 3HZ LYS 10 7.922 4.246 -23.329 947 H THR 11 H THR 11 1.794 2.673 -21.711 948 HA THR 11 HA THR 11 -0.897 1.680 -21.029 949 HB THR 11 HB THR 11 -0.217 4.400 -22.158 950 HG1 THR 11 HG1 THR 11 -0.474 5.173 -20.102 951 1HG2 THR 11 1HG2 THR 11 -2.542 3.459 -22.534 952 2HG2 THR 11 2HG2 THR 11 -2.426 5.035 -21.750 953 3HG2 THR 11 3HG2 THR 11 -2.755 3.594 -20.789 954 H LEU 12 H LEU 12 -0.653 -0.003 -22.589 955 HA LEU 12 HA LEU 12 -0.010 0.411 -25.289 956 1HB LEU 12 1HB LEU 12 -1.428 -1.725 -23.763 957 2HB LEU 12 2HB LEU 12 -1.517 -1.747 -25.514 958 HG LEU 12 HG LEU 12 1.006 -1.716 -25.547 959 1HD1 LEU 12 1HD1 LEU 12 0.668 -2.354 -22.621 960 2HD1 LEU 12 2HD1 LEU 12 1.322 -0.851 -23.272 961 3HD1 LEU 12 3HD1 LEU 12 2.178 -2.371 -23.531 962 1HD2 LEU 12 1HD2 LEU 12 1.201 -4.107 -25.004 963 2HD2 LEU 12 2HD2 LEU 12 -0.240 -3.754 -25.957 964 3HD2 LEU 12 3HD2 LEU 12 -0.380 -4.044 -24.223 965 H LYS 13 H LYS 13 -3.014 0.734 -23.524 966 HA LYS 13 HA LYS 13 -5.133 1.319 -24.153 967 1HB LYS 13 1HB LYS 13 -5.252 3.389 -25.400 968 2HB LYS 13 2HB LYS 13 -3.894 3.452 -24.284 969 1HG LYS 13 1HG LYS 13 -2.334 3.087 -26.057 970 2HG LYS 13 2HG LYS 13 -3.637 2.769 -27.204 971 1HD LYS 13 1HD LYS 13 -4.447 5.118 -26.737 972 2HD LYS 13 2HD LYS 13 -2.928 5.378 -25.878 973 1HE LYS 13 1HE LYS 13 -2.851 4.284 -28.648 974 2HE LYS 13 2HE LYS 13 -3.181 6.001 -28.421 975 1HZ LYS 13 1HZ LYS 13 -0.813 4.560 -27.355 976 2HZ LYS 13 2HZ LYS 13 -1.121 6.215 -27.202 977 3HZ LYS 13 3HZ LYS 13 -0.815 5.551 -28.727 978 H GLY 14 H GLY 14 -4.113 -0.955 -25.603 979 1HA GLY 14 1HA GLY 14 -6.047 -0.976 -27.735 980 2HA GLY 14 2HA GLY 14 -4.388 -1.004 -28.316 981 H GLU 15 H GLU 15 -4.098 -3.021 -29.039 982 HA GLU 15 HA GLU 15 -5.187 -5.291 -27.607 983 1HB GLU 15 1HB GLU 15 -3.564 -5.054 -30.141 984 2HB GLU 15 2HB GLU 15 -4.061 -6.596 -29.458 985 1HG GLU 15 1HG GLU 15 -6.439 -5.406 -29.537 986 2HG GLU 15 2HG GLU 15 -5.652 -4.532 -30.850 987 H THR 16 H THR 16 -4.149 -6.394 -26.089 988 HA THR 16 HA THR 16 -1.334 -5.827 -25.598 989 HB THR 16 HB THR 16 -2.774 -5.709 -23.673 990 HG1 THR 16 HG1 THR 16 -0.757 -6.601 -23.243 991 1HG2 THR 16 1HG2 THR 16 -3.746 -8.366 -24.587 992 2HG2 THR 16 2HG2 THR 16 -4.648 -6.982 -23.970 993 3HG2 THR 16 3HG2 THR 16 -3.727 -7.999 -22.862 994 H THR 17 H THR 17 0.113 -7.646 -25.002 995 HA THR 17 HA THR 17 -0.536 -10.209 -26.223 996 HB THR 17 HB THR 17 2.103 -9.082 -26.999 997 HG1 THR 17 HG1 THR 17 1.090 -7.401 -27.795 998 1HG2 THR 17 1HG2 THR 17 2.107 -10.732 -28.470 999 2HG2 THR 17 2HG2 THR 17 0.521 -10.273 -29.088 1000 3HG2 THR 17 3HG2 THR 17 0.648 -11.338 -27.688 1001 H THR 18 H THR 18 2.173 -8.354 -24.826 1002 HA THR 18 HA THR 18 2.647 -10.615 -23.001 1003 HB THR 18 HB THR 18 5.113 -9.710 -23.120 1004 HG1 THR 18 HG1 THR 18 5.520 -8.423 -24.713 1005 1HG2 THR 18 1HG2 THR 18 3.759 -11.791 -24.467 1006 2HG2 THR 18 2HG2 THR 18 5.469 -11.678 -24.047 1007 3HG2 THR 18 3HG2 THR 18 4.898 -11.063 -25.599 1008 H GLU 19 H GLU 19 2.502 -10.082 -20.929 1009 HA GLU 19 HA GLU 19 3.356 -7.450 -20.026 1010 1HB GLU 19 1HB GLU 19 1.263 -7.066 -18.778 1011 2HB GLU 19 2HB GLU 19 1.003 -7.094 -20.516 1012 1HG GLU 19 1HG GLU 19 -0.656 -8.507 -20.096 1013 2HG GLU 19 2HG GLU 19 0.595 -9.711 -19.797 1014 H ALA 20 H ALA 20 3.366 -7.310 -17.617 1015 HA ALA 20 HA ALA 20 3.378 -9.851 -16.210 1016 1HB ALA 20 1HB ALA 20 5.695 -9.267 -17.324 1017 2HB ALA 20 2HB ALA 20 5.605 -9.975 -15.710 1018 3HB ALA 20 3HB ALA 20 5.854 -8.239 -15.900 1019 H VAL 21 H VAL 21 4.557 -6.530 -15.799 1020 HA VAL 21 HA VAL 21 3.711 -6.421 -13.069 1021 HB VAL 21 HB VAL 21 4.282 -3.969 -13.244 1022 1HG1 VAL 21 1HG1 VAL 21 6.656 -5.434 -14.230 1023 2HG1 VAL 21 2HG1 VAL 21 5.857 -6.072 -12.793 1024 3HG1 VAL 21 3HG1 VAL 21 6.460 -4.415 -12.805 1025 1HG2 VAL 21 1HG2 VAL 21 5.321 -4.732 -15.970 1026 2HG2 VAL 21 2HG2 VAL 21 5.438 -3.158 -15.187 1027 3HG2 VAL 21 3HG2 VAL 21 3.865 -3.779 -15.686 1028 H ASP 22 H ASP 22 1.476 -7.070 -13.611 1029 HA ASP 22 HA ASP 22 -0.196 -4.846 -14.558 1030 1HB ASP 22 1HB ASP 22 -0.474 -7.069 -15.650 1031 2HB ASP 22 2HB ASP 22 -0.968 -7.733 -14.095 1032 H ALA 23 H ALA 23 -1.831 -4.011 -13.374 1033 HA ALA 23 HA ALA 23 -1.537 -3.736 -10.644 1034 1HB ALA 23 1HB ALA 23 -3.170 -2.703 -12.614 1035 2HB ALA 23 2HB ALA 23 -3.155 -2.231 -10.912 1036 3HB ALA 23 3HB ALA 23 -4.298 -3.450 -11.480 1037 H ALA 24 H ALA 24 -3.651 -5.953 -12.429 1038 HA ALA 24 HA ALA 24 -4.953 -7.060 -10.186 1039 1HB ALA 24 1HB ALA 24 -5.875 -7.294 -12.412 1040 2HB ALA 24 2HB ALA 24 -5.587 -8.888 -11.714 1041 3HB ALA 24 3HB ALA 24 -4.475 -8.239 -12.920 1042 H THR 25 H THR 25 -1.924 -7.767 -11.783 1043 HA THR 25 HA THR 25 -1.422 -10.292 -10.637 1044 HB THR 25 HB THR 25 0.443 -8.141 -11.656 1045 HG1 THR 25 HG1 THR 25 0.470 -9.359 -13.486 1046 1HG2 THR 25 1HG2 THR 25 1.830 -10.460 -11.921 1047 2HG2 THR 25 2HG2 THR 25 1.095 -10.651 -10.329 1048 3HG2 THR 25 3HG2 THR 25 2.102 -9.242 -10.673 1049 H PHE 26 H PHE 26 -0.823 -7.012 -9.555 1050 HA PHE 26 HA PHE 26 0.778 -7.628 -7.314 1051 1HB PHE 26 1HB PHE 26 0.418 -5.346 -8.405 1052 2HB PHE 26 2HB PHE 26 -1.088 -5.267 -7.497 1053 HD1 PHE 26 HD1 PHE 26 2.567 -5.773 -7.042 1054 HD2 PHE 26 HD2 PHE 26 -1.093 -4.422 -5.345 1055 HE1 PHE 26 HE1 PHE 26 3.796 -4.911 -5.093 1056 HE2 PHE 26 HE2 PHE 26 0.129 -3.555 -3.392 1057 HZ PHE 26 HZ PHE 26 2.576 -3.798 -3.265 1058 H GLU 27 H GLU 27 -2.706 -6.989 -7.605 1059 HA GLU 27 HA GLU 27 -3.393 -7.289 -4.928 1060 1HB GLU 27 1HB GLU 27 -5.008 -7.929 -7.399 1061 2HB GLU 27 2HB GLU 27 -5.675 -7.818 -5.776 1062 1HG GLU 27 1HG GLU 27 -4.963 -5.473 -5.660 1063 2HG GLU 27 2HG GLU 27 -4.345 -5.593 -7.306 1064 H LYS 28 H LYS 28 -3.400 -9.762 -7.494 1065 HA LYS 28 HA LYS 28 -4.286 -11.860 -5.843 1066 1HB LYS 28 1HB LYS 28 -4.302 -11.762 -8.377 1067 2HB LYS 28 2HB LYS 28 -2.596 -12.187 -8.315 1068 1HG LYS 28 1HG LYS 28 -3.081 -14.292 -7.307 1069 2HG LYS 28 2HG LYS 28 -4.775 -13.852 -7.077 1070 1HD LYS 28 1HD LYS 28 -4.806 -15.223 -8.966 1071 2HD LYS 28 2HD LYS 28 -4.841 -13.590 -9.634 1072 1HE LYS 28 1HE LYS 28 -2.262 -13.834 -9.701 1073 2HE LYS 28 2HE LYS 28 -2.589 -15.561 -9.566 1074 1HZ LYS 28 1HZ LYS 28 -2.363 -14.664 -11.884 1075 2HZ LYS 28 2HZ LYS 28 -3.829 -13.854 -11.645 1076 3HZ LYS 28 3HZ LYS 28 -3.778 -15.544 -11.584 1077 H VAL 29 H VAL 29 -0.964 -11.071 -6.950 1078 HA VAL 29 HA VAL 29 0.271 -13.196 -5.575 1079 HB VAL 29 HB VAL 29 1.462 -10.546 -6.398 1080 1HG1 VAL 29 1HG1 VAL 29 3.615 -11.690 -6.286 1081 2HG1 VAL 29 2HG1 VAL 29 2.817 -13.156 -5.719 1082 3HG1 VAL 29 3HG1 VAL 29 2.815 -11.706 -4.712 1083 1HG2 VAL 29 1HG2 VAL 29 0.360 -12.282 -8.091 1084 2HG2 VAL 29 2HG2 VAL 29 1.941 -13.046 -7.919 1085 3HG2 VAL 29 3HG2 VAL 29 1.822 -11.379 -8.484 1086 H VAL 30 H VAL 30 -0.283 -9.822 -4.672 1087 HA VAL 30 HA VAL 30 1.157 -9.979 -2.232 1088 HB VAL 30 HB VAL 30 -0.970 -7.993 -3.045 1089 1HG1 VAL 30 1HG1 VAL 30 1.119 -7.840 -0.873 1090 2HG1 VAL 30 2HG1 VAL 30 -0.619 -8.008 -0.633 1091 3HG1 VAL 30 3HG1 VAL 30 0.033 -6.535 -1.349 1092 1HG2 VAL 30 1HG2 VAL 30 1.949 -7.405 -3.071 1093 2HG2 VAL 30 2HG2 VAL 30 0.650 -6.716 -4.045 1094 3HG2 VAL 30 3HG2 VAL 30 1.257 -8.333 -4.402 1095 H LYS 31 H LYS 31 -2.334 -10.185 -2.957 1096 HA LYS 31 HA LYS 31 -3.138 -10.410 -0.266 1097 1HB LYS 31 1HB LYS 31 -4.637 -9.850 -2.183 1098 2HB LYS 31 2HB LYS 31 -4.522 -11.522 -2.713 1099 1HG LYS 31 1HG LYS 31 -5.421 -12.142 -0.413 1100 2HG LYS 31 2HG LYS 31 -5.829 -10.433 -0.245 1101 1HD LYS 31 1HD LYS 31 -7.277 -10.518 -2.145 1102 2HD LYS 31 2HD LYS 31 -6.727 -12.144 -2.559 1103 1HE LYS 31 1HE LYS 31 -7.660 -12.934 -0.385 1104 2HE LYS 31 2HE LYS 31 -8.334 -11.324 -0.143 1105 1HZ LYS 31 1HZ LYS 31 -9.910 -12.964 -1.097 1106 2HZ LYS 31 2HZ LYS 31 -8.952 -13.032 -2.489 1107 3HZ LYS 31 3HZ LYS 31 -9.707 -11.583 -2.053 1108 H GLN 32 H GLN 32 -2.403 -12.829 -2.740 1109 HA GLN 32 HA GLN 32 -3.017 -15.089 -1.161 1110 1HB GLN 32 1HB GLN 32 -2.797 -15.077 -3.650 1111 2HB GLN 32 2HB GLN 32 -1.057 -14.923 -3.456 1112 1HG GLN 32 1HG GLN 32 -2.410 -17.168 -2.071 1113 2HG GLN 32 2HG GLN 32 -2.233 -17.258 -3.823 1114 1HE2 GLN 32 1HE2 GLN 32 -0.961 -18.610 -1.381 1115 2HE2 GLN 32 2HE2 GLN 32 0.729 -18.565 -1.736 1116 H PHE 33 H PHE 33 0.032 -13.325 -1.722 1117 HA PHE 33 HA PHE 33 1.653 -15.124 -0.281 1118 1HB PHE 33 1HB PHE 33 2.820 -13.846 -1.792 1119 2HB PHE 33 2HB PHE 33 1.931 -12.382 -1.410 1120 HD1 PHE 33 HD1 PHE 33 4.161 -14.735 0.480 1121 HD2 PHE 33 HD2 PHE 33 3.202 -10.733 -0.598 1122 HE1 PHE 33 HE1 PHE 33 6.053 -13.919 1.834 1123 HE2 PHE 33 HE2 PHE 33 5.081 -9.908 0.761 1124 HZ PHE 33 HZ PHE 33 6.508 -11.497 1.981 1125 H PHE 34 H PHE 34 0.149 -12.041 0.691 1126 HA PHE 34 HA PHE 34 1.256 -12.249 3.327 1127 1HB PHE 34 1HB PHE 34 -0.603 -10.302 2.013 1128 2HB PHE 34 2HB PHE 34 -0.334 -10.259 3.756 1129 HD1 PHE 34 HD1 PHE 34 0.684 -8.792 0.830 1130 HD2 PHE 34 HD2 PHE 34 2.321 -10.619 4.306 1131 HE1 PHE 34 HE1 PHE 34 2.801 -7.583 0.470 1132 HE2 PHE 34 HE2 PHE 34 4.430 -9.412 3.959 1133 HZ PHE 34 HZ PHE 34 4.679 -7.895 2.040 1134 H ASN 35 H ASN 35 -1.784 -13.186 1.878 1135 HA ASN 35 HA ASN 35 -3.375 -13.380 4.166 1136 1HB ASN 35 1HB ASN 35 -3.346 -14.902 1.579 1137 2HB ASN 35 2HB ASN 35 -4.420 -15.405 2.880 1138 1HD2 ASN 35 1HD2 ASN 35 -3.645 -12.037 2.531 1139 2HD2 ASN 35 2HD2 ASN 35 -5.172 -11.548 1.893 1140 H ASP 36 H ASP 36 -0.767 -15.374 3.071 1141 HA ASP 36 HA ASP 36 -1.208 -17.691 4.580 1142 1HB ASP 36 1HB ASP 36 1.425 -16.469 3.732 1143 2HB ASP 36 2HB ASP 36 1.189 -18.131 4.263 1144 H ASN 37 H ASN 37 -0.329 -14.565 5.595 1145 HA ASN 37 HA ASN 37 0.746 -15.594 8.132 1146 1HB ASN 37 1HB ASN 37 1.737 -13.457 8.528 1147 2HB ASN 37 2HB ASN 37 2.114 -13.918 6.872 1148 1HD2 ASN 37 1HD2 ASN 37 1.985 -12.319 5.506 1149 2HD2 ASN 37 2HD2 ASN 37 0.895 -10.980 5.592 1150 H GLY 38 H GLY 38 -2.058 -14.139 6.797 1151 1HA GLY 38 1HA GLY 38 -3.976 -14.418 8.404 1152 2HA GLY 38 2HA GLY 38 -2.993 -13.492 9.525 1153 H VAL 39 H VAL 39 -2.786 -12.462 6.260 1154 HA VAL 39 HA VAL 39 -4.232 -10.034 6.953 1155 HB VAL 39 HB VAL 39 -2.777 -10.651 4.380 1156 1HG1 VAL 39 1HG1 VAL 39 -4.353 -8.802 4.228 1157 2HG1 VAL 39 2HG1 VAL 39 -2.693 -8.212 4.150 1158 3HG1 VAL 39 3HG1 VAL 39 -3.620 -8.043 5.641 1159 1HG2 VAL 39 1HG2 VAL 39 -1.791 -9.717 7.030 1160 2HG2 VAL 39 2HG2 VAL 39 -1.052 -9.064 5.568 1161 3HG2 VAL 39 3HG2 VAL 39 -1.037 -10.802 5.863 1162 H ASP 40 H ASP 40 -6.053 -9.276 5.914 1163 HA ASP 40 HA ASP 40 -7.193 -10.715 3.688 1164 1HB ASP 40 1HB ASP 40 -8.364 -10.890 6.451 1165 2HB ASP 40 2HB ASP 40 -9.393 -11.010 5.026 1166 H GLY 41 H GLY 41 -9.602 -9.810 3.418 1167 1HA GLY 41 1HA GLY 41 -10.943 -7.767 3.831 1168 2HA GLY 41 2HA GLY 41 -9.426 -6.881 3.785 1169 H GLU 42 H GLU 42 -9.932 -5.545 2.079 1170 HA GLU 42 HA GLU 42 -9.830 -6.801 -0.541 1171 1HB GLU 42 1HB GLU 42 -12.089 -4.979 0.305 1172 2HB GLU 42 2HB GLU 42 -11.751 -5.431 -1.361 1173 1HG GLU 42 1HG GLU 42 -11.998 -7.842 -0.586 1174 2HG GLU 42 2HG GLU 42 -12.696 -7.172 0.888 1175 H TRP 43 H TRP 43 -9.312 -5.315 -2.253 1176 HA TRP 43 HA TRP 43 -7.467 -3.302 -1.417 1177 1HB TRP 43 1HB TRP 43 -8.453 -4.226 -4.107 1178 2HB TRP 43 2HB TRP 43 -7.347 -2.866 -3.941 1179 HD1 TRP 43 HD1 TRP 43 -7.449 -6.627 -3.944 1180 HE1 TRP 43 HE1 TRP 43 -5.065 -7.554 -3.656 1181 HE3 TRP 43 HE3 TRP 43 -5.036 -2.291 -2.719 1182 HZ2 TRP 43 HZ2 TRP 43 -2.501 -6.575 -2.995 1183 HZ3 TRP 43 HZ3 TRP 43 -2.617 -2.372 -2.273 1184 HH2 TRP 43 HH2 TRP 43 -1.378 -4.471 -2.408 1185 H THR 44 H THR 44 -7.925 -1.323 -0.852 1186 HA THR 44 HA THR 44 -10.352 -0.068 -1.942 1187 HB THR 44 HB THR 44 -10.317 1.379 0.052 1188 HG1 THR 44 HG1 THR 44 -8.581 1.482 1.191 1189 1HG2 THR 44 1HG2 THR 44 -11.421 -0.940 0.058 1190 2HG2 THR 44 2HG2 THR 44 -11.161 -0.119 1.597 1191 3HG2 THR 44 3HG2 THR 44 -10.071 -1.410 1.093 1192 H TYR 45 H TYR 45 -10.237 1.903 -2.864 1193 HA TYR 45 HA TYR 45 -7.732 2.718 -3.947 1194 1HB TYR 45 1HB TYR 45 -10.528 3.802 -4.079 1195 2HB TYR 45 2HB TYR 45 -9.180 4.746 -4.709 1196 HD1 TYR 45 HD1 TYR 45 -11.458 2.037 -5.331 1197 HD2 TYR 45 HD2 TYR 45 -7.742 3.728 -6.526 1198 HE1 TYR 45 HE1 TYR 45 -11.564 0.769 -7.436 1199 HE2 TYR 45 HE2 TYR 45 -7.836 2.468 -8.633 1200 HH TYR 45 HH TYR 45 -10.306 1.307 -9.975 1201 H ASP 46 H ASP 46 -6.475 4.497 -3.489 1202 HA ASP 46 HA ASP 46 -6.497 5.397 -0.785 1203 1HB ASP 46 1HB ASP 46 -4.835 6.030 -3.206 1204 2HB ASP 46 2HB ASP 46 -4.671 6.994 -1.741 1205 H ASP 47 H ASP 47 -6.556 7.652 -0.107 1206 HA ASP 47 HA ASP 47 -8.858 8.993 -1.052 1207 1HB ASP 47 1HB ASP 47 -8.160 10.808 0.502 1208 2HB ASP 47 2HB ASP 47 -8.173 9.218 1.260 1209 H ALA 48 H ALA 48 -9.124 10.502 -2.571 1210 HA ALA 48 HA ALA 48 -7.217 11.040 -4.508 1211 1HB ALA 48 1HB ALA 48 -9.704 12.561 -3.761 1212 2HB ALA 48 2HB ALA 48 -9.528 11.324 -5.005 1213 3HB ALA 48 3HB ALA 48 -8.746 12.892 -5.204 1214 H THR 49 H THR 49 -5.841 12.697 -4.943 1215 HA THR 49 HA THR 49 -5.542 14.833 -2.959 1216 HB THR 49 HB THR 49 -3.220 13.221 -4.032 1217 HG1 THR 49 HG1 THR 49 -3.342 12.030 -2.301 1218 1HG2 THR 49 1HG2 THR 49 -3.287 15.257 -1.822 1219 2HG2 THR 49 2HG2 THR 49 -2.650 15.535 -3.443 1220 3HG2 THR 49 3HG2 THR 49 -1.883 14.352 -2.384 1221 H LYS 50 H LYS 50 -4.370 16.701 -3.773 1222 HA LYS 50 HA LYS 50 -4.303 16.808 -6.718 1223 1HB LYS 50 1HB LYS 50 -5.535 18.695 -4.750 1224 2HB LYS 50 2HB LYS 50 -4.899 19.325 -6.264 1225 1HG LYS 50 1HG LYS 50 -6.372 17.874 -7.523 1226 2HG LYS 50 2HG LYS 50 -6.971 17.154 -6.027 1227 1HD LYS 50 1HD LYS 50 -7.145 20.111 -6.432 1228 2HD LYS 50 2HD LYS 50 -8.329 19.049 -7.196 1229 1HE LYS 50 1HE LYS 50 -8.412 18.036 -4.737 1230 2HE LYS 50 2HE LYS 50 -7.894 19.670 -4.327 1231 1HZ LYS 50 1HZ LYS 50 -9.814 20.498 -5.619 1232 2HZ LYS 50 2HZ LYS 50 -10.267 19.572 -4.279 1233 3HZ LYS 50 3HZ LYS 50 -10.337 18.903 -5.831 1234 H THR 51 H THR 51 -2.374 17.251 -7.486 1235 HA THR 51 HA THR 51 -0.441 18.667 -5.783 1236 HB THR 51 HB THR 51 -0.066 16.724 -8.069 1237 HG1 THR 51 HG1 THR 51 0.924 15.499 -6.475 1238 1HG2 THR 51 1HG2 THR 51 1.641 18.492 -8.243 1239 2HG2 THR 51 2HG2 THR 51 2.317 16.921 -7.811 1240 3HG2 THR 51 3HG2 THR 51 2.114 18.165 -6.576 1241 H PHE 52 H PHE 52 0.384 20.591 -6.414 1242 HA PHE 52 HA PHE 52 -0.793 21.882 -8.709 1243 1HB PHE 52 1HB PHE 52 -0.439 23.051 -6.529 1244 2HB PHE 52 2HB PHE 52 1.298 22.961 -6.810 1245 HD1 PHE 52 HD1 PHE 52 -1.858 24.457 -7.963 1246 HD2 PHE 52 HD2 PHE 52 2.382 24.432 -8.333 1247 HE1 PHE 52 HE1 PHE 52 -1.960 26.561 -9.235 1248 HE2 PHE 52 HE2 PHE 52 2.287 26.536 -9.604 1249 HZ PHE 52 HZ PHE 52 0.114 27.604 -10.057 1250 H THR 53 H THR 53 0.024 21.785 -10.686 1251 HA THR 53 HA THR 53 2.815 21.015 -11.060 1252 HB THR 53 HB THR 53 0.590 21.352 -13.082 1253 HG1 THR 53 HG1 THR 53 0.337 19.596 -11.590 1254 1HG2 THR 53 1HG2 THR 53 3.285 20.059 -13.417 1255 2HG2 THR 53 2HG2 THR 53 2.784 21.597 -14.122 1256 3HG2 THR 53 3HG2 THR 53 1.990 20.100 -14.612 1257 H VAL 54 H VAL 54 4.348 22.473 -11.453 1258 HA VAL 54 HA VAL 54 3.736 25.243 -11.708 1259 HB VAL 54 HB VAL 54 6.424 24.035 -12.308 1260 1HG1 VAL 54 1HG1 VAL 54 6.358 26.351 -12.773 1261 2HG1 VAL 54 2HG1 VAL 54 7.161 26.187 -11.212 1262 3HG1 VAL 54 3HG1 VAL 54 5.475 26.698 -11.287 1263 1HG2 VAL 54 1HG2 VAL 54 4.963 24.141 -9.745 1264 2HG2 VAL 54 2HG2 VAL 54 6.643 24.674 -9.706 1265 3HG2 VAL 54 3HG2 VAL 54 6.246 23.054 -10.278 1266 H THR 55 H THR 55 4.351 26.642 -13.447 1267 HA THR 55 HA THR 55 4.811 25.444 -16.051 1268 HB THR 55 HB THR 55 2.394 27.176 -15.523 1269 HG1 THR 55 HG1 THR 55 2.599 24.419 -16.149 1270 1HG2 THR 55 1HG2 THR 55 1.747 26.692 -17.805 1271 2HG2 THR 55 2HG2 THR 55 3.239 25.786 -18.053 1272 3HG2 THR 55 3HG2 THR 55 3.301 27.523 -17.762 1273 H GLU 56 H GLU 56 3.638 28.574 -14.865 1274 HA GLU 56 HA GLU 56 4.433 30.693 -15.099 1275 1HB GLU 56 1HB GLU 56 7.155 29.404 -15.314 1276 2HB GLU 56 2HB GLU 56 6.795 31.048 -14.806 1277 1HG GLU 56 1HG GLU 56 5.851 30.311 -12.768 1278 2HG GLU 56 2HG GLU 56 5.833 28.631 -13.305 1279 1H MET 1 1H MET 1 -0.427 2.007 -12.925 1280 2H MET 1 2H MET 1 0.704 1.093 -12.015 1281 3H MET 1 3H MET 1 0.922 2.785 -12.208 1282 HA MET 1 HA MET 1 -1.013 3.235 -10.953 1283 1HB MET 1 1HB MET 1 -1.281 0.261 -11.174 1284 2HB MET 1 2HB MET 1 -1.957 1.077 -9.771 1285 1HG MET 1 1HG MET 1 -2.635 2.254 -12.380 1286 2HG MET 1 2HG MET 1 -3.294 0.651 -12.063 1287 1HE MET 1 1HE MET 1 -3.915 3.994 -8.962 1288 2HE MET 1 2HE MET 1 -2.850 4.226 -10.348 1289 3HE MET 1 3HE MET 1 -2.467 3.003 -9.138 1290 H GLN 2 H GLN 2 -0.637 3.766 -8.857 1291 HA GLN 2 HA GLN 2 1.826 2.754 -7.670 1292 1HB GLN 2 1HB GLN 2 1.354 5.207 -7.804 1293 2HB GLN 2 2HB GLN 2 0.016 4.968 -6.689 1294 1HG GLN 2 1HG GLN 2 1.691 4.022 -5.064 1295 2HG GLN 2 2HG GLN 2 2.948 4.597 -6.158 1296 1HE2 GLN 2 1HE2 GLN 2 2.728 6.947 -6.773 1297 2HE2 GLN 2 2HE2 GLN 2 2.309 8.044 -5.506 1298 H TYR 3 H TYR 3 1.871 1.299 -6.075 1299 HA TYR 3 HA TYR 3 -0.674 0.658 -4.752 1300 1HB TYR 3 1HB TYR 3 1.683 -1.021 -5.521 1301 2HB TYR 3 2HB TYR 3 0.629 -1.535 -4.207 1302 HD1 TYR 3 HD1 TYR 3 1.047 -1.330 -7.775 1303 HD2 TYR 3 HD2 TYR 3 -1.827 -1.857 -4.683 1304 HE1 TYR 3 HE1 TYR 3 -0.529 -2.275 -9.409 1305 HE2 TYR 3 HE2 TYR 3 -3.411 -2.804 -6.307 1306 HH TYR 3 HH TYR 3 -3.781 -2.645 -8.823 1307 H LYS 4 H LYS 4 -0.919 1.003 -2.715 1308 HA LYS 4 HA LYS 4 1.429 1.621 -1.047 1309 1HB LYS 4 1HB LYS 4 -0.639 3.234 -1.435 1310 2HB LYS 4 2HB LYS 4 -1.350 2.257 -0.157 1311 1HG LYS 4 1HG LYS 4 0.789 2.765 1.158 1312 2HG LYS 4 2HG LYS 4 1.060 4.031 -0.042 1313 1HD LYS 4 1HD LYS 4 -0.093 5.208 1.555 1314 2HD LYS 4 2HD LYS 4 -1.427 4.659 0.537 1315 1HE LYS 4 1HE LYS 4 -2.010 2.949 2.047 1316 2HE LYS 4 2HE LYS 4 -0.486 3.094 2.924 1317 1HZ LYS 4 1HZ LYS 4 -2.737 5.027 2.908 1318 2HZ LYS 4 2HZ LYS 4 -1.225 5.358 3.590 1319 3HZ LYS 4 3HZ LYS 4 -2.179 4.110 4.217 1320 H VAL 5 H VAL 5 2.027 0.170 0.418 1321 HA VAL 5 HA VAL 5 -0.010 -1.507 1.693 1322 HB VAL 5 HB VAL 5 2.521 -2.685 0.549 1323 1HG1 VAL 5 1HG1 VAL 5 1.254 -4.827 0.995 1324 2HG1 VAL 5 2HG1 VAL 5 0.123 -3.856 1.937 1325 3HG1 VAL 5 3HG1 VAL 5 1.818 -3.950 2.417 1326 1HG2 VAL 5 1HG2 VAL 5 -0.297 -2.887 -0.510 1327 2HG2 VAL 5 2HG2 VAL 5 1.116 -3.731 -1.145 1328 3HG2 VAL 5 3HG2 VAL 5 1.017 -1.972 -1.249 1329 H ILE 6 H ILE 6 0.278 -1.678 3.802 1330 HA ILE 6 HA ILE 6 2.730 -0.630 4.989 1331 HB ILE 6 HB ILE 6 0.230 -1.509 6.429 1332 1HG1 ILE 6 1HG1 ILE 6 0.954 1.290 5.536 1333 2HG1 ILE 6 2HG1 ILE 6 -0.216 0.263 4.714 1334 1HG2 ILE 6 1HG2 ILE 6 1.910 -1.333 8.015 1335 2HG2 ILE 6 2HG2 ILE 6 1.169 0.267 8.060 1336 3HG2 ILE 6 3HG2 ILE 6 2.685 0.022 7.193 1337 1HD1 ILE 6 1HD1 ILE 6 -0.408 1.590 7.377 1338 2HD1 ILE 6 2HD1 ILE 6 -1.367 0.151 7.029 1339 3HD1 ILE 6 3HD1 ILE 6 -1.550 1.595 6.033 1340 H LEU 7 H LEU 7 4.316 -1.956 5.602 1341 HA LEU 7 HA LEU 7 3.618 -4.630 6.597 1342 1HB LEU 7 1HB LEU 7 4.698 -4.265 4.123 1343 2HB LEU 7 2HB LEU 7 6.146 -4.455 5.093 1344 HG LEU 7 HG LEU 7 5.185 -6.608 5.961 1345 1HD1 LEU 7 1HD1 LEU 7 3.290 -6.480 3.648 1346 2HD1 LEU 7 2HD1 LEU 7 2.821 -5.891 5.243 1347 3HD1 LEU 7 3HD1 LEU 7 3.291 -7.577 5.029 1348 1HD2 LEU 7 1HD2 LEU 7 5.671 -7.872 3.888 1349 2HD2 LEU 7 2HD2 LEU 7 6.878 -6.634 4.242 1350 3HD2 LEU 7 3HD2 LEU 7 5.664 -6.350 2.995 1351 H ASN 8 H ASN 8 4.249 -4.667 8.654 1352 HA ASN 8 HA ASN 8 6.983 -4.007 9.329 1353 1HB ASN 8 1HB ASN 8 5.261 -1.955 9.590 1354 2HB ASN 8 2HB ASN 8 5.016 -2.738 11.148 1355 1HD2 ASN 8 1HD2 ASN 8 6.031 -1.425 12.516 1356 2HD2 ASN 8 2HD2 ASN 8 7.694 -0.970 12.409 1357 H GLY 9 H GLY 9 3.927 -4.412 11.078 1358 1HA GLY 9 1HA GLY 9 3.671 -6.856 11.883 1359 2HA GLY 9 2HA GLY 9 5.195 -6.517 12.690 1360 H LYS 10 H LYS 10 5.239 -5.129 14.465 1361 HA LYS 10 HA LYS 10 4.464 -4.157 16.367 1362 1HB LYS 10 1HB LYS 10 3.403 -2.676 14.521 1363 2HB LYS 10 2HB LYS 10 1.903 -3.488 14.948 1364 1HG LYS 10 1HG LYS 10 1.813 -2.519 17.033 1365 2HG LYS 10 2HG LYS 10 3.553 -2.230 17.090 1366 1HD LYS 10 1HD LYS 10 1.848 -0.833 15.064 1367 2HD LYS 10 2HD LYS 10 1.944 -0.228 16.720 1368 1HE LYS 10 1HE LYS 10 4.353 -0.762 14.990 1369 2HE LYS 10 2HE LYS 10 3.563 0.810 15.103 1370 1HZ LYS 10 1HZ LYS 10 5.441 0.685 16.597 1371 2HZ LYS 10 2HZ LYS 10 4.795 -0.682 17.356 1372 3HZ LYS 10 3HZ LYS 10 4.007 0.809 17.487 1373 H THR 11 H THR 11 3.740 -5.134 18.132 1374 HA THR 11 HA THR 11 2.574 -6.492 19.533 1375 HB THR 11 HB THR 11 0.321 -6.277 17.532 1376 HG1 THR 11 HG1 THR 11 1.155 -4.217 18.200 1377 1HG2 THR 11 1HG2 THR 11 -0.398 -7.815 19.094 1378 2HG2 THR 11 2HG2 THR 11 -1.004 -6.289 19.737 1379 3HG2 THR 11 3HG2 THR 11 0.449 -7.018 20.420 1380 H LEU 12 H LEU 12 2.254 -8.664 19.884 1381 HA LEU 12 HA LEU 12 1.718 -10.536 17.814 1382 1HB LEU 12 1HB LEU 12 3.935 -11.706 17.946 1383 2HB LEU 12 2HB LEU 12 3.945 -10.176 17.088 1384 HG LEU 12 HG LEU 12 4.738 -10.320 19.980 1385 1HD1 LEU 12 1HD1 LEU 12 6.408 -10.956 17.565 1386 2HD1 LEU 12 2HD1 LEU 12 6.191 -11.911 19.032 1387 3HD1 LEU 12 3HD1 LEU 12 7.108 -10.405 19.087 1388 1HD2 LEU 12 1HD2 LEU 12 6.231 -8.403 18.974 1389 2HD2 LEU 12 2HD2 LEU 12 4.553 -8.107 19.429 1390 3HD2 LEU 12 3HD2 LEU 12 4.973 -8.378 17.738 1391 H LYS 13 H LYS 13 0.650 -12.109 18.802 1392 HA LYS 13 HA LYS 13 1.499 -12.920 21.500 1393 1HB LYS 13 1HB LYS 13 -1.259 -12.262 20.513 1394 2HB LYS 13 2HB LYS 13 -1.033 -13.383 21.849 1395 1HG LYS 13 1HG LYS 13 0.479 -11.393 22.750 1396 2HG LYS 13 2HG LYS 13 -0.614 -10.455 21.732 1397 1HD LYS 13 1HD LYS 13 -2.525 -11.566 22.898 1398 2HD LYS 13 2HD LYS 13 -1.357 -12.296 24.001 1399 1HE LYS 13 1HE LYS 13 -0.581 -9.767 24.233 1400 2HE LYS 13 2HE LYS 13 -2.257 -9.476 23.768 1401 1HZ LYS 13 1HZ LYS 13 -1.617 -9.748 26.257 1402 2HZ LYS 13 2HZ LYS 13 -1.678 -11.402 25.910 1403 3HZ LYS 13 3HZ LYS 13 -3.048 -10.439 25.675 1404 H GLY 14 H GLY 14 1.689 -15.062 21.822 1405 1HA GLY 14 1HA GLY 14 1.523 -17.333 21.464 1406 2HA GLY 14 2HA GLY 14 0.206 -17.009 20.346 1407 H GLU 15 H GLU 15 3.436 -17.951 20.660 1408 HA GLU 15 HA GLU 15 4.297 -17.203 18.021 1409 1HB GLU 15 1HB GLU 15 5.545 -19.232 19.878 1410 2HB GLU 15 2HB GLU 15 6.318 -18.417 18.524 1411 1HG GLU 15 1HG GLU 15 6.051 -16.270 19.715 1412 2HG GLU 15 2HG GLU 15 5.384 -17.149 21.090 1413 H THR 16 H THR 16 3.643 -18.180 16.233 1414 HA THR 16 HA THR 16 3.301 -21.091 16.246 1415 HB THR 16 HB THR 16 1.343 -19.203 14.930 1416 HG1 THR 16 HG1 THR 16 0.014 -19.553 16.614 1417 1HG2 THR 16 1HG2 THR 16 0.503 -21.926 15.529 1418 2HG2 THR 16 2HG2 THR 16 1.791 -21.821 14.330 1419 3HG2 THR 16 3HG2 THR 16 0.275 -20.957 14.074 1420 H THR 17 H THR 17 3.345 -18.185 14.189 1421 HA THR 17 HA THR 17 4.538 -19.754 12.027 1422 HB THR 17 HB THR 17 3.951 -16.845 11.735 1423 HG1 THR 17 HG1 THR 17 1.970 -17.137 12.324 1424 1HG2 THR 17 1HG2 THR 17 4.444 -19.030 9.995 1425 2HG2 THR 17 2HG2 THR 17 4.187 -17.331 9.599 1426 3HG2 THR 17 3HG2 THR 17 2.811 -18.430 9.701 1427 H THR 18 H THR 18 6.201 -18.337 10.705 1428 HA THR 18 HA THR 18 8.274 -17.546 12.630 1429 HB THR 18 HB THR 18 9.899 -18.099 10.950 1430 HG1 THR 18 HG1 THR 18 7.664 -18.331 9.235 1431 1HG2 THR 18 1HG2 THR 18 9.746 -20.345 10.986 1432 2HG2 THR 18 2HG2 THR 18 8.074 -20.353 10.427 1433 3HG2 THR 18 3HG2 THR 18 8.437 -20.001 12.116 1434 H GLU 19 H GLU 19 6.567 -16.510 9.736 1435 HA GLU 19 HA GLU 19 8.079 -14.036 9.588 1436 1HB GLU 19 1HB GLU 19 5.799 -15.138 7.946 1437 2HB GLU 19 2HB GLU 19 6.510 -13.553 7.671 1438 1HG GLU 19 1HG GLU 19 8.272 -15.954 7.719 1439 2HG GLU 19 2HG GLU 19 7.292 -15.621 6.292 1440 H ALA 20 H ALA 20 6.719 -11.987 9.231 1441 HA ALA 20 HA ALA 20 4.210 -11.747 10.539 1442 1HB ALA 20 1HB ALA 20 6.640 -10.843 12.078 1443 2HB ALA 20 2HB ALA 20 5.460 -12.059 12.565 1444 3HB ALA 20 3HB ALA 20 4.986 -10.364 12.457 1445 H VAL 21 H VAL 21 4.792 -10.944 8.117 1446 HA VAL 21 HA VAL 21 5.038 -9.207 6.631 1447 HB VAL 21 HB VAL 21 3.763 -7.121 7.341 1448 1HG1 VAL 21 1HG1 VAL 21 2.002 -9.476 7.761 1449 2HG1 VAL 21 2HG1 VAL 21 2.910 -9.378 6.251 1450 3HG1 VAL 21 3HG1 VAL 21 1.798 -8.084 6.698 1451 1HG2 VAL 21 1HG2 VAL 21 3.070 -8.837 9.724 1452 2HG2 VAL 21 2HG2 VAL 21 2.403 -7.252 9.338 1453 3HG2 VAL 21 3HG2 VAL 21 4.103 -7.409 9.772 1454 H ASP 22 H ASP 22 7.365 -9.193 7.000 1455 HA ASP 22 HA ASP 22 8.342 -6.915 8.573 1456 1HB ASP 22 1HB ASP 22 9.338 -9.164 8.988 1457 2HB ASP 22 2HB ASP 22 9.936 -9.162 7.331 1458 H ALA 23 H ALA 23 9.561 -5.319 7.744 1459 HA ALA 23 HA ALA 23 9.067 -4.384 5.196 1460 1HB ALA 23 1HB ALA 23 10.390 -3.498 7.453 1461 2HB ALA 23 2HB ALA 23 10.143 -2.590 5.958 1462 3HB ALA 23 3HB ALA 23 11.637 -3.498 6.204 1463 H ALA 24 H ALA 24 11.856 -6.234 6.370 1464 HA ALA 24 HA ALA 24 13.330 -6.188 3.967 1465 1HB ALA 24 1HB ALA 24 14.383 -6.750 6.073 1466 2HB ALA 24 2HB ALA 24 14.575 -8.084 4.934 1467 3HB ALA 24 3HB ALA 24 13.375 -8.190 6.223 1468 H THR 25 H THR 25 10.751 -8.231 5.150 1469 HA THR 25 HA THR 25 11.008 -10.348 3.307 1470 HB THR 25 HB THR 25 8.617 -9.273 4.812 1471 HG1 THR 25 HG1 THR 25 9.058 -10.912 6.211 1472 1HG2 THR 25 1HG2 THR 25 8.039 -11.883 4.339 1473 2HG2 THR 25 2HG2 THR 25 8.717 -11.370 2.793 1474 3HG2 THR 25 3HG2 THR 25 7.339 -10.508 3.481 1475 H PHE 26 H PHE 26 9.364 -7.255 3.185 1476 HA PHE 26 HA PHE 26 7.931 -7.669 0.789 1477 1HB PHE 26 1HB PHE 26 7.611 -5.803 2.504 1478 2HB PHE 26 2HB PHE 26 8.973 -5.000 1.729 1479 HD1 PHE 26 HD1 PHE 26 5.642 -6.472 0.977 1480 HD2 PHE 26 HD2 PHE 26 8.611 -3.616 -0.087 1481 HE1 PHE 26 HE1 PHE 26 4.115 -5.516 -0.697 1482 HE2 PHE 26 HE2 PHE 26 7.089 -2.653 -1.764 1483 HZ PHE 26 HZ PHE 26 4.838 -3.603 -2.071 1484 H GLU 27 H GLU 27 11.051 -6.084 1.414 1485 HA GLU 27 HA GLU 27 11.669 -5.374 -1.202 1486 1HB GLU 27 1HB GLU 27 13.520 -6.158 1.054 1487 2HB GLU 27 2HB GLU 27 14.040 -5.383 -0.436 1488 1HG GLU 27 1HG GLU 27 12.627 -3.449 0.093 1489 2HG GLU 27 2HG GLU 27 12.158 -4.223 1.607 1490 H LYS 28 H LYS 28 12.570 -8.348 0.543 1491 HA LYS 28 HA LYS 28 13.987 -9.496 -1.598 1492 1HB LYS 28 1HB LYS 28 14.093 -10.129 0.855 1493 2HB LYS 28 2HB LYS 28 12.606 -11.031 0.595 1494 1HG LYS 28 1HG LYS 28 13.677 -12.495 -0.952 1495 2HG LYS 28 2HG LYS 28 15.135 -11.500 -0.965 1496 1HD LYS 28 1HD LYS 28 15.682 -13.276 0.449 1497 2HD LYS 28 2HD LYS 28 15.237 -11.978 1.557 1498 1HE LYS 28 1HE LYS 28 12.869 -13.023 1.431 1499 2HE LYS 28 2HE LYS 28 13.712 -14.446 0.821 1500 1HZ LYS 28 1HZ LYS 28 13.328 -14.369 3.286 1501 2HZ LYS 28 2HZ LYS 28 14.455 -13.111 3.359 1502 3HZ LYS 28 3HZ LYS 28 14.930 -14.639 2.812 1503 H VAL 29 H VAL 29 10.642 -10.138 -0.466 1504 HA VAL 29 HA VAL 29 10.069 -12.054 -2.448 1505 HB VAL 29 HB VAL 29 8.150 -10.263 -0.956 1506 1HG1 VAL 29 1HG1 VAL 29 6.460 -11.940 -1.493 1507 2HG1 VAL 29 2HG1 VAL 29 7.648 -12.856 -2.418 1508 3HG1 VAL 29 3HG1 VAL 29 7.150 -11.254 -2.967 1509 1HG2 VAL 29 1HG2 VAL 29 9.819 -11.976 0.216 1510 2HG2 VAL 29 2HG2 VAL 29 8.550 -13.113 -0.241 1511 3HG2 VAL 29 3HG2 VAL 29 8.168 -11.729 0.783 1512 H VAL 30 H VAL 30 9.497 -8.566 -2.319 1513 HA VAL 30 HA VAL 30 8.064 -8.460 -4.766 1514 HB VAL 30 HB VAL 30 9.501 -6.229 -3.319 1515 1HG1 VAL 30 1HG1 VAL 30 7.368 -6.121 -5.451 1516 2HG1 VAL 30 2HG1 VAL 30 9.058 -5.660 -5.647 1517 3HG1 VAL 30 3HG1 VAL 30 8.013 -4.736 -4.570 1518 1HG2 VAL 30 1HG2 VAL 30 6.549 -6.616 -3.260 1519 2HG2 VAL 30 2HG2 VAL 30 7.614 -5.866 -2.070 1520 3HG2 VAL 30 3HG2 VAL 30 7.558 -7.622 -2.222 1521 H LYS 31 H LYS 31 11.475 -7.763 -3.969 1522 HA LYS 31 HA LYS 31 12.180 -6.943 -6.570 1523 1HB LYS 31 1HB LYS 31 13.519 -6.517 -4.505 1524 2HB LYS 31 2HB LYS 31 13.958 -8.220 -4.483 1525 1HG LYS 31 1HG LYS 31 14.895 -7.839 -6.821 1526 2HG LYS 31 2HG LYS 31 14.741 -6.115 -6.470 1527 1HD LYS 31 1HD LYS 31 16.231 -6.287 -4.611 1528 2HD LYS 31 2HD LYS 31 16.237 -8.049 -4.708 1529 1HE LYS 31 1HE LYS 31 17.266 -7.848 -6.970 1530 2HE LYS 31 2HE LYS 31 17.389 -6.109 -6.708 1531 1HZ LYS 31 1HZ LYS 31 19.444 -7.373 -6.194 1532 2HZ LYS 31 2HZ LYS 31 18.623 -8.136 -4.927 1533 3HZ LYS 31 3HZ LYS 31 18.864 -6.463 -4.891 1534 H GLN 32 H GLN 32 12.357 -10.073 -4.932 1535 HA GLN 32 HA GLN 32 13.572 -11.473 -7.063 1536 1HB GLN 32 1HB GLN 32 13.479 -12.246 -4.689 1537 2HB GLN 32 2HB GLN 32 11.770 -12.595 -4.911 1538 1HG GLN 32 1HG GLN 32 13.688 -13.808 -6.818 1539 2HG GLN 32 2HG GLN 32 13.633 -14.448 -5.177 1540 1HE2 GLN 32 1HE2 GLN 32 12.732 -15.368 -7.961 1541 2HE2 GLN 32 2HE2 GLN 32 11.131 -15.958 -7.687 1542 H PHE 33 H PHE 33 10.154 -10.989 -6.163 1543 HA PHE 33 HA PHE 33 9.110 -12.712 -8.134 1544 1HB PHE 33 1HB PHE 33 7.676 -12.354 -6.375 1545 2HB PHE 33 2HB PHE 33 8.044 -10.641 -6.279 1546 HD1 PHE 33 HD1 PHE 33 6.574 -12.926 -8.866 1547 HD2 PHE 33 HD2 PHE 33 6.283 -9.313 -6.642 1548 HE1 PHE 33 HE1 PHE 33 4.458 -12.393 -10.015 1549 HE2 PHE 33 HE2 PHE 33 4.177 -8.764 -7.792 1550 HZ PHE 33 HZ PHE 33 3.262 -10.300 -9.480 1551 H PHE 34 H PHE 34 9.527 -9.170 -8.107 1552 HA PHE 34 HA PHE 34 8.417 -8.949 -10.741 1553 1HB PHE 34 1HB PHE 34 9.634 -6.982 -8.838 1554 2HB PHE 34 2HB PHE 34 9.282 -6.527 -10.506 1555 HD1 PHE 34 HD1 PHE 34 7.996 -6.358 -7.333 1556 HD2 PHE 34 HD2 PHE 34 6.849 -7.527 -11.258 1557 HE1 PHE 34 HE1 PHE 34 5.628 -6.029 -6.739 1558 HE2 PHE 34 HE2 PHE 34 4.487 -7.195 -10.679 1559 HZ PHE 34 HZ PHE 34 3.870 -6.452 -8.418 1560 H ASN 35 H ASN 35 11.662 -9.263 -9.482 1561 HA ASN 35 HA ASN 35 13.123 -8.284 -11.652 1562 1HB ASN 35 1HB ASN 35 13.694 -10.416 -9.617 1563 2HB ASN 35 2HB ASN 35 14.808 -10.161 -10.955 1564 1HD2 ASN 35 1HD2 ASN 35 13.038 -7.454 -9.690 1565 2HD2 ASN 35 2HD2 ASN 35 14.364 -6.718 -8.868 1566 H ASP 36 H ASP 36 11.322 -11.220 -11.300 1567 HA ASP 36 HA ASP 36 12.394 -12.747 -13.389 1568 1HB ASP 36 1HB ASP 36 9.555 -12.707 -12.349 1569 2HB ASP 36 2HB ASP 36 10.273 -13.985 -13.325 1570 H ASN 37 H ASN 37 10.535 -9.899 -13.503 1571 HA ASN 37 HA ASN 37 9.715 -10.439 -16.275 1572 1HB ASN 37 1HB ASN 37 8.091 -8.700 -16.086 1573 2HB ASN 37 2HB ASN 37 7.954 -9.712 -14.654 1574 1HD2 ASN 37 1HD2 ASN 37 7.643 -8.616 -12.879 1575 2HD2 ASN 37 2HD2 ASN 37 8.254 -7.039 -12.526 1576 H GLY 38 H GLY 38 11.986 -8.628 -14.450 1577 1HA GLY 38 1HA GLY 38 13.816 -7.821 -15.980 1578 2HA GLY 38 2HA GLY 38 12.542 -6.967 -16.831 1579 H VAL 39 H VAL 39 12.176 -7.036 -13.422 1580 HA VAL 39 HA VAL 39 12.760 -4.189 -13.317 1581 HB VAL 39 HB VAL 39 11.693 -5.941 -11.101 1582 1HG1 VAL 39 1HG1 VAL 39 12.618 -3.817 -10.351 1583 2HG1 VAL 39 2HG1 VAL 39 10.862 -3.825 -10.185 1584 3HG1 VAL 39 3HG1 VAL 39 11.618 -2.953 -11.520 1585 1HG2 VAL 39 1HG2 VAL 39 10.340 -4.642 -13.416 1586 2HG2 VAL 39 2HG2 VAL 39 9.504 -4.702 -11.863 1587 3HG2 VAL 39 3HG2 VAL 39 10.019 -6.196 -12.646 1588 H ASP 40 H ASP 40 14.299 -3.234 -12.018 1589 HA ASP 40 HA ASP 40 15.936 -4.821 -10.252 1590 1HB ASP 40 1HB ASP 40 16.970 -3.814 -12.888 1591 2HB ASP 40 2HB ASP 40 18.052 -4.011 -11.512 1592 H GLY 41 H GLY 41 17.961 -3.318 -9.634 1593 1HA GLY 41 1HA GLY 41 18.566 -0.934 -9.369 1594 2HA GLY 41 2HA GLY 41 16.852 -0.620 -9.142 1595 H GLU 42 H GLU 42 16.997 0.258 -7.102 1596 HA GLU 42 HA GLU 42 17.417 -1.664 -4.961 1597 1HB GLU 42 1HB GLU 42 18.949 0.935 -5.140 1598 2HB GLU 42 2HB GLU 42 18.850 -0.057 -3.692 1599 1HG GLU 42 1HG GLU 42 19.802 -1.940 -5.116 1600 2HG GLU 42 2HG GLU 42 20.183 -0.691 -6.301 1601 H TRP 43 H TRP 43 16.542 -0.971 -2.920 1602 HA TRP 43 HA TRP 43 14.123 0.514 -3.227 1603 1HB TRP 43 1HB TRP 43 15.475 -0.786 -0.872 1604 2HB TRP 43 2HB TRP 43 13.993 0.149 -0.693 1605 HD1 TRP 43 HD1 TRP 43 15.265 -3.228 -1.763 1606 HE1 TRP 43 HE1 TRP 43 13.279 -4.729 -2.417 1607 HE3 TRP 43 HE3 TRP 43 11.562 0.298 -1.805 1608 HZ2 TRP 43 HZ2 TRP 43 10.508 -4.454 -2.889 1609 HZ3 TRP 43 HZ3 TRP 43 9.272 -0.403 -2.368 1610 HH2 TRP 43 HH2 TRP 43 8.758 -2.731 -2.899 1611 H THR 44 H THR 44 13.912 2.612 -3.178 1612 HA THR 44 HA THR 44 15.875 4.194 -1.662 1613 HB THR 44 HB THR 44 15.295 6.066 -3.154 1614 HG1 THR 44 HG1 THR 44 13.562 5.946 -4.296 1615 1HG2 THR 44 1HG2 THR 44 17.063 4.311 -3.779 1616 2HG2 THR 44 2HG2 THR 44 16.488 5.419 -5.026 1617 3HG2 THR 44 3HG2 THR 44 15.878 3.764 -4.965 1618 H TYR 45 H TYR 45 15.193 5.678 -0.218 1619 HA TYR 45 HA TYR 45 12.613 5.321 0.936 1620 1HB TYR 45 1HB TYR 45 14.932 7.143 1.503 1621 2HB TYR 45 2HB TYR 45 13.388 7.392 2.315 1622 HD1 TYR 45 HD1 TYR 45 16.427 5.474 2.232 1623 HD2 TYR 45 HD2 TYR 45 12.433 5.501 3.698 1624 HE1 TYR 45 HE1 TYR 45 17.028 3.757 3.886 1625 HE2 TYR 45 HE2 TYR 45 13.023 3.784 5.357 1626 HH TYR 45 HH TYR 45 15.785 3.123 6.419 1627 H ASP 46 H ASP 46 10.843 6.672 0.950 1628 HA ASP 46 HA ASP 46 10.453 8.269 -1.379 1629 1HB ASP 46 1HB ASP 46 8.796 7.630 1.043 1630 2HB ASP 46 2HB ASP 46 8.267 8.869 -0.089 1631 H ASP 47 H ASP 47 9.774 10.525 -1.377 1632 HA ASP 47 HA ASP 47 11.587 12.187 0.013 1633 1HB ASP 47 1HB ASP 47 10.279 14.059 -0.979 1634 2HB ASP 47 2HB ASP 47 10.749 12.842 -2.161 1635 H ALA 48 H ALA 48 11.452 13.192 1.919 1636 HA ALA 48 HA ALA 48 9.573 12.533 3.843 1637 1HB ALA 48 1HB ALA 48 11.417 14.906 3.674 1638 2HB ALA 48 2HB ALA 48 11.700 13.375 4.503 1639 3HB ALA 48 3HB ALA 48 10.476 14.492 5.108 1640 H THR 49 H THR 49 7.761 13.480 4.671 1641 HA THR 49 HA THR 49 6.716 15.891 3.371 1642 HB THR 49 HB THR 49 5.066 13.397 3.823 1643 HG1 THR 49 HG1 THR 49 5.463 12.859 1.825 1644 1HG2 THR 49 1HG2 THR 49 4.387 15.897 2.297 1645 2HG2 THR 49 2HG2 THR 49 3.775 15.484 3.899 1646 3HG2 THR 49 3HG2 THR 49 3.364 14.477 2.512 1647 H LYS 50 H LYS 50 5.056 16.982 4.628 1648 HA LYS 50 HA LYS 50 5.095 16.214 7.474 1649 1HB LYS 50 1HB LYS 50 5.577 18.872 6.189 1650 2HB LYS 50 2HB LYS 50 4.847 18.809 7.787 1651 1HG LYS 50 1HG LYS 50 6.759 17.599 8.647 1652 2HG LYS 50 2HG LYS 50 7.484 17.562 7.039 1653 1HD LYS 50 1HD LYS 50 6.740 20.178 8.280 1654 2HD LYS 50 2HD LYS 50 8.232 19.370 8.761 1655 1HE LYS 50 1HE LYS 50 8.509 19.181 6.121 1656 2HE LYS 50 2HE LYS 50 7.487 20.618 6.175 1657 1HZ LYS 50 1HZ LYS 50 9.111 21.597 7.737 1658 2HZ LYS 50 2HZ LYS 50 9.767 21.284 6.209 1659 3HZ LYS 50 3HZ LYS 50 10.117 20.256 7.505 1660 H THR 51 H THR 51 3.163 15.794 8.248 1661 HA THR 51 HA THR 51 0.805 16.958 6.932 1662 HB THR 51 HB THR 51 1.167 14.424 8.542 1663 HG1 THR 51 HG1 THR 51 0.528 13.466 6.618 1664 1HG2 THR 51 1HG2 THR 51 -0.998 15.443 9.139 1665 2HG2 THR 51 2HG2 THR 51 -1.169 13.932 8.245 1666 3HG2 THR 51 3HG2 THR 51 -1.426 15.474 7.428 1667 H PHE 52 H PHE 52 -0.549 18.261 8.050 1668 HA PHE 52 HA PHE 52 0.272 19.140 10.672 1669 1HB PHE 52 1HB PHE 52 -0.534 20.711 8.904 1670 2HB PHE 52 2HB PHE 52 -2.139 20.006 9.066 1671 HD1 PHE 52 HD1 PHE 52 0.439 22.017 10.748 1672 HD2 PHE 52 HD2 PHE 52 -3.558 20.562 10.894 1673 HE1 PHE 52 HE1 PHE 52 -0.063 23.590 12.572 1674 HE2 PHE 52 HE2 PHE 52 -4.067 22.133 12.718 1675 HZ PHE 52 HZ PHE 52 -2.318 23.650 13.559 1676 H THR 53 H THR 53 -0.381 18.229 12.499 1677 HA THR 53 HA THR 53 -2.770 16.552 12.504 1678 HB THR 53 HB THR 53 -0.669 16.971 14.641 1679 HG1 THR 53 HG1 THR 53 0.048 15.891 12.719 1680 1HG2 THR 53 1HG2 THR 53 -2.805 14.861 14.463 1681 2HG2 THR 53 2HG2 THR 53 -2.778 16.207 15.601 1682 3HG2 THR 53 3HG2 THR 53 -1.532 14.961 15.679 1683 H VAL 54 H VAL 54 -4.663 17.280 13.229 1684 HA VAL 54 HA VAL 54 -4.933 19.906 14.298 1685 HB VAL 54 HB VAL 54 -7.079 17.801 14.398 1686 1HG1 VAL 54 1HG1 VAL 54 -7.716 19.788 15.510 1687 2HG1 VAL 54 2HG1 VAL 54 -8.502 19.834 13.933 1688 3HG1 VAL 54 3HG1 VAL 54 -7.058 20.803 14.227 1689 1HG2 VAL 54 1HG2 VAL 54 -5.848 19.090 12.044 1690 2HG2 VAL 54 2HG2 VAL 54 -7.611 19.056 12.082 1691 3HG2 VAL 54 3HG2 VAL 54 -6.697 17.551 12.182 1692 H THR 55 H THR 55 -5.871 20.483 16.334 1693 HA THR 55 HA THR 55 -5.810 18.507 18.460 1694 HB THR 55 HB THR 55 -4.084 20.984 18.566 1695 HG1 THR 55 HG1 THR 55 -3.387 18.244 18.359 1696 1HG2 THR 55 1HG2 THR 55 -3.209 20.089 20.639 1697 2HG2 THR 55 2HG2 THR 55 -4.332 18.733 20.547 1698 3HG2 THR 55 3HG2 THR 55 -4.945 20.372 20.765 1699 H GLU 56 H GLU 56 -5.733 22.048 18.277 1700 HA GLU 56 HA GLU 56 -7.139 23.651 19.070 1701 1HB GLU 56 1HB GLU 56 -9.306 21.569 18.781 1702 2HB GLU 56 2HB GLU 56 -9.505 23.316 18.785 1703 1HG GLU 56 1HG GLU 56 -8.476 23.530 16.667 1704 2HG GLU 56 2HG GLU 56 -7.909 21.860 16.698 Start of MODEL 14 1 1H MET 1 1H MET 1 10.163 20.404 -0.994 2 2H MET 1 2H MET 1 11.240 21.094 0.152 3 3H MET 1 3H MET 1 9.816 21.937 -0.308 4 HA MET 1 HA MET 1 9.953 19.382 1.148 5 1HB MET 1 1HB MET 1 10.631 21.541 2.316 6 2HB MET 1 2HB MET 1 8.973 22.079 2.083 7 1HG MET 1 1HG MET 1 9.223 21.204 4.300 8 2HG MET 1 2HG MET 1 8.187 20.129 3.362 9 1HE MET 1 1HE MET 1 8.303 18.034 3.102 10 2HE MET 1 2HE MET 1 9.414 16.894 3.861 11 3HE MET 1 3HE MET 1 9.734 17.485 2.230 12 H GLN 2 H GLN 2 8.173 18.187 0.994 13 HA GLN 2 HA GLN 2 5.868 19.224 -0.439 14 1HB GLN 2 1HB GLN 2 6.925 16.893 -0.742 15 2HB GLN 2 2HB GLN 2 6.105 16.470 0.756 16 1HG GLN 2 1HG GLN 2 4.030 16.545 -0.194 17 2HG GLN 2 2HG GLN 2 4.514 17.711 -1.425 18 1HE2 GLN 2 1HE2 GLN 2 6.033 16.882 -3.086 19 2HE2 GLN 2 2HE2 GLN 2 5.813 15.262 -3.642 20 H TYR 3 H TYR 3 4.141 20.061 0.529 21 HA TYR 3 HA TYR 3 3.760 19.509 3.392 22 1HB TYR 3 1HB TYR 3 3.240 21.935 1.715 23 2HB TYR 3 2HB TYR 3 2.346 21.689 3.213 24 HD1 TYR 3 HD1 TYR 3 5.340 22.944 1.774 25 HD2 TYR 3 HD2 TYR 3 3.752 21.258 5.343 26 HE1 TYR 3 HE1 TYR 3 7.224 23.880 3.049 27 HE2 TYR 3 HE2 TYR 3 5.630 22.190 6.627 28 HH TYR 3 HH TYR 3 7.926 22.952 6.241 29 H LYS 4 H LYS 4 2.018 18.599 4.094 30 HA LYS 4 HA LYS 4 -0.192 18.069 2.217 31 1HB LYS 4 1HB LYS 4 0.960 16.539 4.508 32 2HB LYS 4 2HB LYS 4 -0.744 16.326 4.131 33 1HG LYS 4 1HG LYS 4 0.106 15.924 1.712 34 2HG LYS 4 2HG LYS 4 1.655 15.621 2.502 35 1HD LYS 4 1HD LYS 4 0.270 14.045 4.035 36 2HD LYS 4 2HD LYS 4 -0.920 14.110 2.733 37 1HE LYS 4 1HE LYS 4 1.094 13.531 1.205 38 2HE LYS 4 2HE LYS 4 1.865 13.010 2.702 39 1HZ LYS 4 1HZ LYS 4 -0.734 12.002 1.677 40 2HZ LYS 4 2HZ LYS 4 0.051 11.477 3.080 41 3HZ LYS 4 3HZ LYS 4 0.743 11.184 1.565 42 H VAL 5 H VAL 5 -2.102 19.006 2.541 43 HA VAL 5 HA VAL 5 -2.876 19.808 5.251 44 HB VAL 5 HB VAL 5 -3.067 21.717 2.919 45 1HG1 VAL 5 1HG1 VAL 5 -4.752 21.824 4.833 46 2HG1 VAL 5 2HG1 VAL 5 -3.882 23.305 4.440 47 3HG1 VAL 5 3HG1 VAL 5 -3.399 22.345 5.836 48 1HG2 VAL 5 1HG2 VAL 5 -1.135 21.751 5.235 49 2HG2 VAL 5 2HG2 VAL 5 -1.282 22.988 3.988 50 3HG2 VAL 5 3HG2 VAL 5 -0.729 21.369 3.562 51 H ILE 6 H ILE 6 -4.920 19.306 5.681 52 HA ILE 6 HA ILE 6 -6.636 18.384 3.508 53 HB ILE 6 HB ILE 6 -7.220 18.253 6.462 54 1HG1 ILE 6 1HG1 ILE 6 -5.907 16.131 4.749 55 2HG1 ILE 6 2HG1 ILE 6 -5.056 17.140 5.914 56 1HG2 ILE 6 1HG2 ILE 6 -8.518 16.194 5.553 57 2HG2 ILE 6 2HG2 ILE 6 -8.392 17.026 4.005 58 3HG2 ILE 6 3HG2 ILE 6 -9.199 17.809 5.363 59 1HD1 ILE 6 1HD1 ILE 6 -7.292 15.242 6.585 60 2HD1 ILE 6 2HD1 ILE 6 -6.331 16.186 7.725 61 3HD1 ILE 6 3HD1 ILE 6 -5.571 14.903 6.781 62 H LEU 7 H LEU 7 -8.267 19.566 2.709 63 HA LEU 7 HA LEU 7 -9.500 21.615 4.403 64 1HB LEU 7 1HB LEU 7 -8.094 22.008 1.831 65 2HB LEU 7 2HB LEU 7 -9.641 22.822 1.981 66 HG LEU 7 HG LEU 7 -8.531 23.562 4.318 67 1HD1 LEU 7 1HD1 LEU 7 -6.272 23.683 4.344 68 2HD1 LEU 7 2HD1 LEU 7 -6.146 23.839 2.593 69 3HD1 LEU 7 3HD1 LEU 7 -6.432 22.258 3.320 70 1HD2 LEU 7 1HD2 LEU 7 -7.634 25.159 1.995 71 2HD2 LEU 7 2HD2 LEU 7 -8.529 25.650 3.433 72 3HD2 LEU 7 3HD2 LEU 7 -9.363 24.832 2.111 73 H ASN 8 H ASN 8 -11.578 21.058 4.584 74 HA ASN 8 HA ASN 8 -13.134 20.506 2.208 75 1HB ASN 8 1HB ASN 8 -12.139 18.289 3.030 76 2HB ASN 8 2HB ASN 8 -13.215 18.457 4.416 77 1HD2 ASN 8 1HD2 ASN 8 -13.167 16.435 2.319 78 2HD2 ASN 8 2HD2 ASN 8 -14.731 16.469 1.586 79 H GLY 9 H GLY 9 -14.720 21.936 2.472 80 1HA GLY 9 1HA GLY 9 -15.649 22.741 5.070 81 2HA GLY 9 2HA GLY 9 -16.281 23.279 3.524 82 H LYS 10 H LYS 10 -16.681 21.142 6.174 83 HA LYS 10 HA LYS 10 -18.542 19.359 4.958 84 1HB LYS 10 1HB LYS 10 -19.104 18.784 7.356 85 2HB LYS 10 2HB LYS 10 -17.422 18.569 6.893 86 1HG LYS 10 1HG LYS 10 -16.736 20.471 8.075 87 2HG LYS 10 2HG LYS 10 -18.388 21.073 8.225 88 1HD LYS 10 1HD LYS 10 -18.835 18.930 9.568 89 2HD LYS 10 2HD LYS 10 -17.079 18.791 9.672 90 1HE LYS 10 1HE LYS 10 -16.891 20.823 10.856 91 2HE LYS 10 2HE LYS 10 -18.544 21.292 10.468 92 1HZ LYS 10 1HZ LYS 10 -18.163 20.458 12.785 93 2HZ LYS 10 2HZ LYS 10 -17.896 18.924 12.125 94 3HZ LYS 10 3HZ LYS 10 -19.399 19.675 11.935 95 H THR 11 H THR 11 -20.596 19.709 4.459 96 HA THR 11 HA THR 11 -22.675 20.621 4.351 97 HB THR 11 HB THR 11 -22.160 21.644 7.146 98 HG1 THR 11 HG1 THR 11 -22.149 19.655 7.754 99 1HG2 THR 11 1HG2 THR 11 -24.782 20.581 6.603 100 2HG2 THR 11 2HG2 THR 11 -24.391 21.923 5.531 101 3HG2 THR 11 3HG2 THR 11 -24.311 22.139 7.279 102 H LEU 12 H LEU 12 -22.719 22.209 2.885 103 HA LEU 12 HA LEU 12 -21.505 24.791 3.513 104 1HB LEU 12 1HB LEU 12 -21.359 23.385 1.256 105 2HB LEU 12 2HB LEU 12 -22.831 24.273 0.903 106 HG LEU 12 HG LEU 12 -20.175 25.530 1.601 107 1HD1 LEU 12 1HD1 LEU 12 -19.741 25.817 -0.613 108 2HD1 LEU 12 2HD1 LEU 12 -21.447 25.819 -1.063 109 3HD1 LEU 12 3HD1 LEU 12 -20.632 24.298 -0.701 110 1HD2 LEU 12 1HD2 LEU 12 -21.319 27.600 0.787 111 2HD2 LEU 12 2HD2 LEU 12 -21.945 26.962 2.306 112 3HD2 LEU 12 3HD2 LEU 12 -22.834 26.699 0.807 113 H LYS 13 H LYS 13 -22.905 25.833 4.857 114 HA LYS 13 HA LYS 13 -25.687 26.138 3.961 115 1HB LYS 13 1HB LYS 13 -24.474 26.705 6.673 116 2HB LYS 13 2HB LYS 13 -26.178 26.844 6.258 117 1HG LYS 13 1HG LYS 13 -26.323 24.466 5.879 118 2HG LYS 13 2HG LYS 13 -24.589 24.288 6.153 119 1HD LYS 13 1HD LYS 13 -25.580 23.645 8.179 120 2HD LYS 13 2HD LYS 13 -25.028 25.298 8.459 121 1HE LYS 13 1HE LYS 13 -27.184 26.166 8.367 122 2HE LYS 13 2HE LYS 13 -27.815 24.764 7.504 123 1HZ LYS 13 1HZ LYS 13 -28.511 24.851 9.844 124 2HZ LYS 13 2HZ LYS 13 -26.895 24.731 10.327 125 3HZ LYS 13 3HZ LYS 13 -27.624 23.454 9.490 126 H GLY 14 H GLY 14 -26.515 28.411 5.038 127 1HA GLY 14 1HA GLY 14 -24.860 30.423 3.672 128 2HA GLY 14 2HA GLY 14 -26.582 30.564 3.991 129 H GLU 15 H GLU 15 -24.313 29.475 6.419 130 HA GLU 15 HA GLU 15 -24.488 32.095 7.744 131 1HB GLU 15 1HB GLU 15 -25.040 29.387 8.950 132 2HB GLU 15 2HB GLU 15 -24.673 30.802 9.927 133 1HG GLU 15 1HG GLU 15 -26.837 31.062 7.926 134 2HG GLU 15 2HG GLU 15 -27.153 30.058 9.341 135 H THR 16 H THR 16 -22.529 32.865 8.131 136 HA THR 16 HA THR 16 -20.256 31.029 8.235 137 HB THR 16 HB THR 16 -20.090 34.034 8.255 138 HG1 THR 16 HG1 THR 16 -20.299 32.365 5.973 139 1HG2 THR 16 1HG2 THR 16 -18.248 31.998 7.035 140 2HG2 THR 16 2HG2 THR 16 -18.020 32.723 8.628 141 3HG2 THR 16 3HG2 THR 16 -17.981 33.735 7.183 142 H THR 17 H THR 17 -19.823 30.261 10.202 143 HA THR 17 HA THR 17 -19.617 32.178 12.415 144 HB THR 17 HB THR 17 -20.883 29.442 12.656 145 HG1 THR 17 HG1 THR 17 -22.803 30.487 12.766 146 1HG2 THR 17 1HG2 THR 17 -19.671 30.577 14.670 147 2HG2 THR 17 2HG2 THR 17 -21.252 29.823 14.877 148 3HG2 THR 17 3HG2 THR 17 -21.124 31.575 14.712 149 H THR 18 H THR 18 -19.001 28.771 11.541 150 HA THR 18 HA THR 18 -16.228 29.093 12.374 151 HB THR 18 HB THR 18 -17.320 28.341 14.415 152 HG1 THR 18 HG1 THR 18 -15.272 27.467 13.973 153 1HG2 THR 18 1HG2 THR 18 -19.267 27.231 13.868 154 2HG2 THR 18 2HG2 THR 18 -18.201 25.921 14.376 155 3HG2 THR 18 3HG2 THR 18 -18.473 26.220 12.660 156 H GLU 19 H GLU 19 -14.840 27.363 11.645 157 HA GLU 19 HA GLU 19 -14.055 25.899 10.093 158 1HB GLU 19 1HB GLU 19 -16.895 24.946 9.742 159 2HB GLU 19 2HB GLU 19 -15.413 24.049 9.447 160 1HG GLU 19 1HG GLU 19 -16.127 25.046 12.180 161 2HG GLU 19 2HG GLU 19 -16.739 23.513 11.558 162 H ALA 20 H ALA 20 -13.412 26.390 8.100 163 HA ALA 20 HA ALA 20 -15.275 26.970 5.998 164 1HB ALA 20 1HB ALA 20 -15.212 29.136 7.147 165 2HB ALA 20 2HB ALA 20 -14.541 29.232 5.518 166 3HB ALA 20 3HB ALA 20 -13.464 29.200 6.915 167 H VAL 21 H VAL 21 -13.430 24.956 6.182 168 HA VAL 21 HA VAL 21 -11.139 25.784 4.552 169 HB VAL 21 HB VAL 21 -10.440 23.341 4.868 170 1HG1 VAL 21 1HG1 VAL 21 -10.538 24.612 7.538 171 2HG1 VAL 21 2HG1 VAL 21 -9.818 25.548 6.228 172 3HG1 VAL 21 3HG1 VAL 21 -9.168 23.961 6.638 173 1HG2 VAL 21 1HG2 VAL 21 -11.494 21.979 6.380 174 2HG2 VAL 21 2HG2 VAL 21 -12.879 22.847 5.721 175 3HG2 VAL 21 3HG2 VAL 21 -12.195 23.326 7.274 176 H ASP 22 H ASP 22 -12.235 26.145 2.606 177 HA ASP 22 HA ASP 22 -13.531 23.835 1.343 178 1HB ASP 22 1HB ASP 22 -14.755 25.999 1.430 179 2HB ASP 22 2HB ASP 22 -13.480 26.724 0.454 180 H ALA 23 H ALA 23 -12.904 23.009 -0.566 181 HA ALA 23 HA ALA 23 -10.261 22.784 -1.219 182 1HB ALA 23 1HB ALA 23 -12.009 22.613 -3.546 183 2HB ALA 23 2HB ALA 23 -12.632 21.770 -2.127 184 3HB ALA 23 3HB ALA 23 -11.036 21.367 -2.761 185 H ALA 24 H ALA 24 -12.604 25.060 -2.609 186 HA ALA 24 HA ALA 24 -10.828 26.231 -4.478 187 1HB ALA 24 1HB ALA 24 -13.282 26.358 -4.661 188 2HB ALA 24 2HB ALA 24 -12.516 27.945 -4.746 189 3HB ALA 24 3HB ALA 24 -13.312 27.429 -3.260 190 H THR 25 H THR 25 -11.445 26.786 -1.091 191 HA THR 25 HA THR 25 -10.399 29.384 -0.850 192 HB THR 25 HB THR 25 -10.455 27.118 1.157 193 HG1 THR 25 HG1 THR 25 -12.209 29.316 0.816 194 1HG2 THR 25 1HG2 THR 25 -9.153 28.456 2.386 195 2HG2 THR 25 2HG2 THR 25 -10.664 29.330 2.659 196 3HG2 THR 25 3HG2 THR 25 -9.532 29.889 1.426 197 H PHE 26 H PHE 26 -8.879 26.211 -0.735 198 HA PHE 26 HA PHE 26 -6.291 27.133 -0.020 199 1HB PHE 26 1HB PHE 26 -7.210 24.728 0.096 200 2HB PHE 26 2HB PHE 26 -6.791 24.629 -1.613 201 HD1 PHE 26 HD1 PHE 26 -5.324 25.485 1.698 202 HD2 PHE 26 HD2 PHE 26 -4.656 23.994 -2.232 203 HE1 PHE 26 HE1 PHE 26 -3.002 24.943 2.302 204 HE2 PHE 26 HE2 PHE 26 -2.333 23.448 -1.634 205 HZ PHE 26 HZ PHE 26 -1.503 23.922 0.636 206 H GLU 27 H GLU 27 -7.757 26.273 -3.136 207 HA GLU 27 HA GLU 27 -5.544 26.692 -4.758 208 1HB GLU 27 1HB GLU 27 -8.466 27.116 -5.389 209 2HB GLU 27 2HB GLU 27 -7.184 27.039 -6.590 210 1HG GLU 27 1HG GLU 27 -6.658 24.743 -5.766 211 2HG GLU 27 2HG GLU 27 -8.098 24.842 -4.753 212 H LYS 28 H LYS 28 -8.137 29.027 -3.997 213 HA LYS 28 HA LYS 28 -6.975 31.143 -5.449 214 1HB LYS 28 1HB LYS 28 -9.388 30.905 -4.677 215 2HB LYS 28 2HB LYS 28 -8.837 31.484 -3.109 216 1HG LYS 28 1HG LYS 28 -7.964 33.523 -4.257 217 2HG LYS 28 2HG LYS 28 -8.746 32.953 -5.732 218 1HD LYS 28 1HD LYS 28 -10.255 33.309 -3.157 219 2HD LYS 28 2HD LYS 28 -10.032 34.631 -4.305 220 1HE LYS 28 1HE LYS 28 -11.241 31.966 -5.017 221 2HE LYS 28 2HE LYS 28 -12.184 33.382 -4.556 222 1HZ LYS 28 1HZ LYS 28 -10.843 34.503 -6.449 223 2HZ LYS 28 2HZ LYS 28 -12.174 33.531 -6.832 224 3HZ LYS 28 3HZ LYS 28 -10.606 32.919 -6.992 225 H VAL 29 H VAL 29 -6.955 30.501 -1.916 226 HA VAL 29 HA VAL 29 -5.461 32.781 -1.240 227 HB VAL 29 HB VAL 29 -5.575 30.144 0.231 228 1HG1 VAL 29 1HG1 VAL 29 -4.789 32.905 1.166 229 2HG1 VAL 29 2HG1 VAL 29 -3.734 31.496 1.025 230 3HG1 VAL 29 3HG1 VAL 29 -5.033 31.512 2.221 231 1HG2 VAL 29 1HG2 VAL 29 -7.175 32.419 1.179 232 2HG2 VAL 29 2HG2 VAL 29 -7.579 30.704 1.084 233 3HG2 VAL 29 3HG2 VAL 29 -7.701 31.720 -0.352 234 H VAL 30 H VAL 30 -4.450 29.480 -2.016 235 HA VAL 30 HA VAL 30 -1.702 29.961 -1.446 236 HB VAL 30 HB VAL 30 -2.941 27.747 -3.089 237 1HG1 VAL 30 1HG1 VAL 30 -0.864 26.531 -2.715 238 2HG1 VAL 30 2HG1 VAL 30 -0.191 27.916 -1.857 239 3HG1 VAL 30 3HG1 VAL 30 -0.552 28.036 -3.579 240 1HG2 VAL 30 1HG2 VAL 30 -3.540 28.092 -0.582 241 2HG2 VAL 30 2HG2 VAL 30 -1.917 27.461 -0.296 242 3HG2 VAL 30 3HG2 VAL 30 -3.104 26.483 -1.160 243 H LYS 31 H LYS 31 -3.560 29.901 -4.515 244 HA LYS 31 HA LYS 31 -1.336 30.306 -6.178 245 1HB LYS 31 1HB LYS 31 -3.735 29.621 -6.798 246 2HB LYS 31 2HB LYS 31 -4.110 31.337 -6.745 247 1HG LYS 31 1HG LYS 31 -2.453 31.764 -8.479 248 2HG LYS 31 2HG LYS 31 -2.052 30.046 -8.523 249 1HD LYS 31 1HD LYS 31 -4.066 29.468 -9.506 250 2HD LYS 31 2HD LYS 31 -4.879 30.924 -8.931 251 1HE LYS 31 1HE LYS 31 -3.021 32.048 -10.498 252 2HE LYS 31 2HE LYS 31 -3.196 30.502 -11.327 253 1HZ LYS 31 1HZ LYS 31 -4.698 32.219 -12.191 254 2HZ LYS 31 2HZ LYS 31 -5.439 32.336 -10.675 255 3HZ LYS 31 3HZ LYS 31 -5.545 30.897 -11.558 256 H GLN 32 H GLN 32 -3.608 32.571 -4.673 257 HA GLN 32 HA GLN 32 -2.518 34.914 -5.792 258 1HB GLN 32 1HB GLN 32 -4.759 34.673 -4.647 259 2HB GLN 32 2HB GLN 32 -3.898 34.714 -3.115 260 1HG GLN 32 1HG GLN 32 -4.745 36.895 -3.568 261 2HG GLN 32 2HG GLN 32 -2.991 36.933 -3.743 262 1HE2 GLN 32 1HE2 GLN 32 -2.786 38.582 -5.149 263 2HE2 GLN 32 2HE2 GLN 32 -3.438 38.589 -6.748 264 H PHE 33 H PHE 33 -1.881 33.290 -2.662 265 HA PHE 33 HA PHE 33 -0.021 35.218 -1.779 266 1HB PHE 33 1HB PHE 33 -0.959 34.019 -0.053 267 2HB PHE 33 2HB PHE 33 -0.893 32.498 -0.926 268 HD1 PHE 33 HD1 PHE 33 1.644 34.989 0.286 269 HD2 PHE 33 HD2 PHE 33 0.357 30.938 0.090 270 HE1 PHE 33 HE1 PHE 33 3.613 34.299 1.598 271 HE2 PHE 33 HE2 PHE 33 2.325 30.240 1.387 272 HZ PHE 33 HZ PHE 33 3.959 31.918 2.140 273 H PHE 34 H PHE 34 0.414 32.061 -3.365 274 HA PHE 34 HA PHE 34 3.258 32.303 -3.312 275 1HB PHE 34 1HB PHE 34 1.357 30.318 -4.473 276 2HB PHE 34 2HB PHE 34 3.049 30.300 -4.977 277 HD1 PHE 34 HD1 PHE 34 0.784 29.988 -2.079 278 HD2 PHE 34 HD2 PHE 34 4.761 29.542 -3.527 279 HE1 PHE 34 HE1 PHE 34 1.409 28.834 0.001 280 HE2 PHE 34 HE2 PHE 34 5.391 28.382 -1.452 281 HZ PHE 34 HZ PHE 34 3.717 28.035 0.320 282 H ASN 35 H ASN 35 0.799 33.103 -5.699 283 HA ASN 35 HA ASN 35 2.447 33.357 -7.944 284 1HB ASN 35 1HB ASN 35 -0.117 34.668 -7.124 285 2HB ASN 35 2HB ASN 35 0.734 35.258 -8.545 286 1HD2 ASN 35 1HD2 ASN 35 0.780 31.872 -7.607 287 2HD2 ASN 35 2HD2 ASN 35 -0.195 31.312 -8.919 288 H ASP 36 H ASP 36 2.044 35.426 -5.183 289 HA ASP 36 HA ASP 36 3.195 37.787 -6.166 290 1HB ASP 36 1HB ASP 36 3.272 36.760 -3.327 291 2HB ASP 36 2HB ASP 36 3.460 38.432 -3.845 292 H ASN 37 H ASN 37 4.652 34.783 -5.446 293 HA ASN 37 HA ASN 37 7.304 36.045 -5.224 294 1HB ASN 37 1HB ASN 37 8.130 33.985 -4.270 295 2HB ASN 37 2HB ASN 37 6.688 34.490 -3.397 296 1HD2 ASN 37 1HD2 ASN 37 5.389 32.901 -2.915 297 2HD2 ASN 37 2HD2 ASN 37 5.143 31.459 -3.835 298 H GLY 38 H GLY 38 5.344 34.116 -7.322 299 1HA GLY 38 1HA GLY 38 6.298 34.325 -9.671 300 2HA GLY 38 2HA GLY 38 7.716 33.551 -8.989 301 H VAL 39 H VAL 39 4.776 32.337 -7.713 302 HA VAL 39 HA VAL 39 5.183 29.859 -9.187 303 HB VAL 39 HB VAL 39 3.174 30.413 -6.999 304 1HG1 VAL 39 1HG1 VAL 39 4.114 27.938 -8.400 305 2HG1 VAL 39 2HG1 VAL 39 2.469 28.470 -8.058 306 3HG1 VAL 39 3HG1 VAL 39 3.484 27.856 -6.755 307 1HG2 VAL 39 1HG2 VAL 39 5.080 28.895 -5.825 308 2HG2 VAL 39 2HG2 VAL 39 5.016 30.654 -5.724 309 3HG2 VAL 39 3HG2 VAL 39 6.066 29.876 -6.907 310 H ASP 40 H ASP 40 3.677 28.904 -10.537 311 HA ASP 40 HA ASP 40 1.097 30.116 -10.975 312 1HB ASP 40 1HB ASP 40 3.280 30.290 -13.054 313 2HB ASP 40 2HB ASP 40 1.571 30.441 -13.450 314 H GLY 41 H GLY 41 0.176 29.030 -13.141 315 1HA GLY 41 1HA GLY 41 0.335 26.927 -14.450 316 2HA GLY 41 2HA GLY 41 0.823 26.148 -12.955 317 H GLU 42 H GLU 42 -0.836 24.657 -12.901 318 HA GLU 42 HA GLU 42 -3.411 25.720 -12.055 319 1HB GLU 42 1HB GLU 42 -3.185 23.710 -14.301 320 2HB GLU 42 2HB GLU 42 -4.677 24.308 -13.591 321 1HG GLU 42 1HG GLU 42 -3.929 26.617 -14.330 322 2HG GLU 42 2HG GLU 42 -2.700 25.792 -15.289 323 H TRP 43 H TRP 43 -4.729 24.168 -10.954 324 HA TRP 43 HA TRP 43 -3.198 22.333 -9.391 325 1HB TRP 43 1HB TRP 43 -6.152 22.942 -9.501 326 2HB TRP 43 2HB TRP 43 -5.448 21.779 -8.380 327 HD1 TRP 43 HD1 TRP 43 -5.923 25.487 -8.919 328 HE1 TRP 43 HE1 TRP 43 -5.015 26.769 -6.880 329 HE3 TRP 43 HE3 TRP 43 -3.561 21.637 -6.525 330 HZ2 TRP 43 HZ2 TRP 43 -3.497 26.221 -4.565 331 HZ3 TRP 43 HZ3 TRP 43 -2.402 22.100 -4.404 332 HH2 TRP 43 HH2 TRP 43 -2.372 24.346 -3.446 333 H THR 44 H THR 44 -2.639 20.392 -9.933 334 HA THR 44 HA THR 44 -4.330 18.886 -11.808 335 HB THR 44 HB THR 44 -2.320 17.615 -12.392 336 HG1 THR 44 HG1 THR 44 -0.673 17.662 -11.122 337 1HG2 THR 44 1HG2 THR 44 -1.223 19.182 -13.696 338 2HG2 THR 44 2HG2 THR 44 -1.473 20.478 -12.526 339 3HG2 THR 44 3HG2 THR 44 -2.829 19.878 -13.482 340 H TYR 45 H TYR 45 -4.944 16.848 -11.319 341 HA TYR 45 HA TYR 45 -5.117 16.144 -8.565 342 1HB TYR 45 1HB TYR 45 -5.954 14.823 -11.125 343 2HB TYR 45 2HB TYR 45 -6.025 13.932 -9.607 344 HD1 TYR 45 HD1 TYR 45 -7.597 16.437 -11.677 345 HD2 TYR 45 HD2 TYR 45 -7.472 14.798 -7.753 346 HE1 TYR 45 HE1 TYR 45 -9.779 17.461 -11.184 347 HE2 TYR 45 HE2 TYR 45 -9.653 15.816 -7.251 348 HH TYR 45 HH TYR 45 -11.010 17.768 -8.089 349 H ASP 46 H ASP 46 -4.138 14.479 -7.436 350 HA ASP 46 HA ASP 46 -1.463 13.854 -8.206 351 1HB ASP 46 1HB ASP 46 -3.227 13.090 -5.898 352 2HB ASP 46 2HB ASP 46 -1.674 12.296 -6.130 353 H ASP 47 H ASP 47 -0.586 11.663 -8.352 354 HA ASP 47 HA ASP 47 -1.983 10.088 -10.242 355 1HB ASP 47 1HB ASP 47 0.515 9.610 -8.621 356 2HB ASP 47 2HB ASP 47 -0.115 8.403 -9.740 357 H ALA 48 H ALA 48 -3.455 8.542 -9.970 358 HA ALA 48 HA ALA 48 -4.647 7.951 -7.542 359 1HB ALA 48 1HB ALA 48 -5.895 7.552 -9.488 360 2HB ALA 48 2HB ALA 48 -5.612 5.958 -8.788 361 3HB ALA 48 3HB ALA 48 -4.656 6.497 -10.169 362 H THR 49 H THR 49 -4.555 6.277 -6.103 363 HA THR 49 HA THR 49 -2.458 4.259 -6.418 364 HB THR 49 HB THR 49 -2.806 5.773 -3.832 365 HG1 THR 49 HG1 THR 49 -1.696 7.316 -4.677 366 1HG2 THR 49 1HG2 THR 49 -0.468 4.955 -3.457 367 2HG2 THR 49 2HG2 THR 49 -0.687 3.915 -4.865 368 3HG2 THR 49 3HG2 THR 49 -1.719 3.712 -3.448 369 H LYS 50 H LYS 50 -2.745 2.399 -5.007 370 HA LYS 50 HA LYS 50 -5.503 2.145 -3.998 371 1HB LYS 50 1HB LYS 50 -3.933 0.359 -5.794 372 2HB LYS 50 2HB LYS 50 -5.036 -0.386 -4.645 373 1HG LYS 50 1HG LYS 50 -6.855 1.040 -5.565 374 2HG LYS 50 2HG LYS 50 -5.725 1.596 -6.801 375 1HD LYS 50 1HD LYS 50 -6.215 -1.330 -6.373 376 2HD LYS 50 2HD LYS 50 -7.318 -0.364 -7.356 377 1HE LYS 50 1HE LYS 50 -5.061 0.417 -8.485 378 2HE LYS 50 2HE LYS 50 -4.488 -1.129 -7.862 379 1HZ LYS 50 1HZ LYS 50 -5.327 -1.342 -10.114 380 2HZ LYS 50 2HZ LYS 50 -6.837 -0.743 -9.639 381 3HZ LYS 50 3HZ LYS 50 -6.290 -2.228 -9.041 382 H THR 51 H THR 51 -5.578 1.775 -1.908 383 HA THR 51 HA THR 51 -3.268 0.533 -0.580 384 HB THR 51 HB THR 51 -5.462 2.334 0.471 385 HG1 THR 51 HG1 THR 51 -3.805 3.771 0.749 386 1HG2 THR 51 1HG2 THR 51 -3.197 1.127 2.045 387 2HG2 THR 51 2HG2 THR 51 -4.900 0.708 2.213 388 3HG2 THR 51 3HG2 THR 51 -4.348 2.332 2.619 389 H PHE 52 H PHE 52 -3.469 -1.369 0.473 390 HA PHE 52 HA PHE 52 -5.895 -2.881 0.105 391 1HB PHE 52 1HB PHE 52 -3.619 -3.876 -0.155 392 2HB PHE 52 2HB PHE 52 -3.379 -3.680 1.579 393 HD1 PHE 52 HD1 PHE 52 -5.365 -5.433 -0.987 394 HD2 PHE 52 HD2 PHE 52 -4.294 -5.212 3.126 395 HE1 PHE 52 HE1 PHE 52 -6.420 -7.621 -0.599 396 HE2 PHE 52 HE2 PHE 52 -5.346 -7.400 3.521 397 HZ PHE 52 HZ PHE 52 -6.411 -8.608 1.658 398 H THR 53 H THR 53 -7.548 -2.864 1.477 399 HA THR 53 HA THR 53 -7.144 -1.920 4.208 400 HB THR 53 HB THR 53 -9.686 -2.566 2.696 401 HG1 THR 53 HG1 THR 53 -8.418 -0.114 3.331 402 1HG2 THR 53 1HG2 THR 53 -9.287 -2.108 5.491 403 2HG2 THR 53 2HG2 THR 53 -10.778 -2.445 4.612 404 3HG2 THR 53 3HG2 THR 53 -10.214 -0.784 4.786 405 H VAL 54 H VAL 54 -6.917 -3.280 5.863 406 HA VAL 54 HA VAL 54 -7.069 -6.102 5.490 407 HB VAL 54 HB VAL 54 -6.964 -4.776 8.187 408 1HG1 VAL 54 1HG1 VAL 54 -7.182 -7.144 8.284 409 2HG1 VAL 54 2HG1 VAL 54 -5.505 -6.755 8.663 410 3HG1 VAL 54 3HG1 VAL 54 -5.927 -7.370 7.066 411 1HG2 VAL 54 1HG2 VAL 54 -4.454 -4.845 7.905 412 2HG2 VAL 54 2HG2 VAL 54 -5.294 -3.591 6.992 413 3HG2 VAL 54 3HG2 VAL 54 -4.740 -5.054 6.176 414 H THR 55 H THR 55 -8.414 -7.584 6.645 415 HA THR 55 HA THR 55 -10.865 -6.546 7.815 416 HB THR 55 HB THR 55 -10.920 -8.445 5.464 417 HG1 THR 55 HG1 THR 55 -11.737 -5.735 5.635 418 1HG2 THR 55 1HG2 THR 55 -13.119 -8.731 5.739 419 2HG2 THR 55 2HG2 THR 55 -13.372 -7.074 6.284 420 3HG2 THR 55 3HG2 THR 55 -12.786 -8.295 7.414 421 H GLU 56 H GLU 56 -9.745 -9.656 6.527 422 HA GLU 56 HA GLU 56 -9.510 -11.710 7.473 423 1HB GLU 56 1HB GLU 56 -9.138 -10.266 10.094 424 2HB GLU 56 2HB GLU 56 -8.513 -11.844 9.639 425 1HG GLU 56 1HG GLU 56 -6.880 -10.940 8.255 426 2HG GLU 56 2HG GLU 56 -7.704 -9.385 8.142 427 1H MET 1 1H MET 1 -10.014 16.599 2.329 428 2H MET 1 2H MET 1 -11.296 17.238 1.384 429 3H MET 1 3H MET 1 -10.182 18.295 2.147 430 HA MET 1 HA MET 1 -9.585 16.373 0.001 431 1HB MET 1 1HB MET 1 -10.954 18.456 -0.521 432 2HB MET 1 2HB MET 1 -9.539 19.391 -0.058 433 1HG MET 1 1HG MET 1 -9.603 19.169 -2.442 434 2HG MET 1 2HG MET 1 -8.242 18.246 -1.808 435 1HE MET 1 1HE MET 1 -7.690 16.241 -2.151 436 2HE MET 1 2HE MET 1 -8.401 15.101 -3.296 437 3HE MET 1 3HE MET 1 -8.842 15.028 -1.589 438 H GLN 2 H GLN 2 -7.519 15.793 -0.102 439 HA GLN 2 HA GLN 2 -5.589 17.034 1.679 440 1HB GLN 2 1HB GLN 2 -5.848 14.510 1.260 441 2HB GLN 2 2HB GLN 2 -5.029 14.804 -0.268 442 1HG GLN 2 1HG GLN 2 -3.024 15.244 0.727 443 2HG GLN 2 2HG GLN 2 -3.765 15.811 2.223 444 1HE2 GLN 2 1HE2 GLN 2 -4.895 14.108 3.505 445 2HE2 GLN 2 2HE2 GLN 2 -4.145 12.554 3.598 446 H TYR 3 H TYR 3 -4.255 18.608 1.075 447 HA TYR 3 HA TYR 3 -3.852 19.047 -1.805 448 1HB TYR 3 1HB TYR 3 -4.039 20.929 0.518 449 2HB TYR 3 2HB TYR 3 -3.178 21.410 -0.941 450 HD1 TYR 3 HD1 TYR 3 -6.351 21.200 0.645 451 HD2 TYR 3 HD2 TYR 3 -4.471 21.206 -3.171 452 HE1 TYR 3 HE1 TYR 3 -8.485 21.835 -0.400 453 HE2 TYR 3 HE2 TYR 3 -6.599 21.841 -4.226 454 HH TYR 3 HH TYR 3 -9.011 21.689 -3.744 455 H LYS 4 H LYS 4 -1.947 18.968 -2.650 456 HA LYS 4 HA LYS 4 0.403 18.636 -0.902 457 1HB LYS 4 1HB LYS 4 -0.314 17.563 -3.598 458 2HB LYS 4 2HB LYS 4 1.385 17.782 -3.204 459 1HG LYS 4 1HG LYS 4 0.781 16.449 -1.053 460 2HG LYS 4 2HG LYS 4 -0.614 15.925 -1.999 461 1HD LYS 4 1HD LYS 4 1.150 15.380 -3.824 462 2HD LYS 4 2HD LYS 4 2.300 15.433 -2.485 463 1HE LYS 4 1HE LYS 4 0.646 13.830 -1.312 464 2HE LYS 4 2HE LYS 4 0.002 13.562 -2.932 465 1HZ LYS 4 1HZ LYS 4 2.833 13.156 -2.130 466 2HZ LYS 4 2HZ LYS 4 2.177 12.846 -3.658 467 3HZ LYS 4 3HZ LYS 4 1.689 11.924 -2.327 468 H VAL 5 H VAL 5 1.909 20.176 -0.851 469 HA VAL 5 HA VAL 5 2.266 21.923 -3.176 470 HB VAL 5 HB VAL 5 1.960 23.044 -0.389 471 1HG1 VAL 5 1HG1 VAL 5 3.441 24.220 -2.092 472 2HG1 VAL 5 2HG1 VAL 5 2.150 25.177 -1.362 473 3HG1 VAL 5 3HG1 VAL 5 1.958 24.541 -2.995 474 1HG2 VAL 5 1HG2 VAL 5 0.008 23.135 -2.687 475 2HG2 VAL 5 2HG2 VAL 5 -0.179 23.945 -1.132 476 3HG2 VAL 5 3HG2 VAL 5 -0.179 22.183 -1.214 477 H ILE 6 H ILE 6 4.341 22.228 -3.637 478 HA ILE 6 HA ILE 6 6.355 21.304 -1.742 479 HB ILE 6 HB ILE 6 6.813 22.216 -4.578 480 1HG1 ILE 6 1HG1 ILE 6 6.322 19.392 -3.605 481 2HG1 ILE 6 2HG1 ILE 6 5.139 20.369 -4.469 482 1HG2 ILE 6 1HG2 ILE 6 8.739 20.507 -4.238 483 2HG2 ILE 6 2HG2 ILE 6 8.429 20.769 -2.523 484 3HG2 ILE 6 3HG2 ILE 6 8.881 22.125 -3.555 485 1HD1 ILE 6 1HD1 ILE 6 7.821 19.548 -5.554 486 2HD1 ILE 6 2HD1 ILE 6 6.561 20.427 -6.417 487 3HD1 ILE 6 3HD1 ILE 6 6.289 18.759 -5.917 488 H LEU 7 H LEU 7 7.575 22.650 -0.558 489 HA LEU 7 HA LEU 7 8.027 25.377 -1.527 490 1HB LEU 7 1HB LEU 7 6.686 24.558 0.976 491 2HB LEU 7 2HB LEU 7 7.894 25.818 1.143 492 HG LEU 7 HG LEU 7 6.508 26.816 -0.937 493 1HD1 LEU 7 1HD1 LEU 7 4.323 26.234 -1.037 494 2HD1 LEU 7 2HD1 LEU 7 4.235 25.834 0.680 495 3HD1 LEU 7 3HD1 LEU 7 4.963 24.698 -0.454 496 1HD2 LEU 7 1HD2 LEU 7 5.271 27.319 1.704 497 2HD2 LEU 7 2HD2 LEU 7 5.894 28.455 0.507 498 3HD2 LEU 7 3HD2 LEU 7 7.007 27.597 1.573 499 H ASN 8 H ASN 8 10.167 25.566 -1.765 500 HA ASN 8 HA ASN 8 11.917 24.863 0.433 501 1HB ASN 8 1HB ASN 8 11.645 22.797 -1.063 502 2HB ASN 8 2HB ASN 8 12.550 23.698 -2.273 503 1HD2 ASN 8 1HD2 ASN 8 13.238 21.239 -0.871 504 2HD2 ASN 8 2HD2 ASN 8 14.741 21.547 -0.074 505 H GLY 9 H GLY 9 12.918 26.750 0.692 506 1HA GLY 9 1HA GLY 9 13.438 28.536 -1.497 507 2HA GLY 9 2HA GLY 9 13.917 28.770 0.176 508 H LYS 10 H LYS 10 14.721 26.898 -2.727 509 HA LYS 10 HA LYS 10 17.540 27.380 -2.238 510 1HB LYS 10 1HB LYS 10 16.513 25.072 -1.232 511 2HB LYS 10 2HB LYS 10 16.975 24.547 -2.845 512 1HG LYS 10 1HG LYS 10 18.819 25.920 -0.901 513 2HG LYS 10 2HG LYS 10 18.725 24.173 -1.143 514 1HD LYS 10 1HD LYS 10 19.443 24.391 -3.421 515 2HD LYS 10 2HD LYS 10 19.348 26.149 -3.332 516 1HE LYS 10 1HE LYS 10 21.077 25.988 -1.471 517 2HE LYS 10 2HE LYS 10 21.304 24.313 -1.975 518 1HZ LYS 10 1HZ LYS 10 22.879 25.939 -2.983 519 2HZ LYS 10 2HZ LYS 10 21.576 26.623 -3.817 520 3HZ LYS 10 3HZ LYS 10 22.017 25.016 -4.109 521 H THR 11 H THR 11 15.834 28.366 -4.219 522 HA THR 11 HA THR 11 16.524 26.839 -6.627 523 HB THR 11 HB THR 11 14.977 28.664 -7.677 524 HG1 THR 11 HG1 THR 11 14.854 29.960 -5.810 525 1HG2 THR 11 1HG2 THR 11 12.918 27.398 -6.609 526 2HG2 THR 11 2HG2 THR 11 14.191 26.293 -6.090 527 3HG2 THR 11 3HG2 THR 11 13.969 26.640 -7.806 528 H LEU 12 H LEU 12 18.555 27.355 -7.226 529 HA LEU 12 HA LEU 12 20.334 28.563 -7.970 530 1HB LEU 12 1HB LEU 12 18.248 30.665 -8.557 531 2HB LEU 12 2HB LEU 12 19.863 30.595 -9.236 532 HG LEU 12 HG LEU 12 17.840 28.410 -9.678 533 1HD1 LEU 12 1HD1 LEU 12 17.395 30.938 -10.511 534 2HD1 LEU 12 2HD1 LEU 12 16.873 29.502 -11.392 535 3HD1 LEU 12 3HD1 LEU 12 18.364 30.323 -11.850 536 1HD2 LEU 12 1HD2 LEU 12 20.048 29.123 -11.540 537 2HD2 LEU 12 2HD2 LEU 12 19.300 27.558 -11.220 538 3HD2 LEU 12 3HD2 LEU 12 20.440 28.245 -10.062 539 H LYS 13 H LYS 13 21.660 29.070 -6.328 540 HA LYS 13 HA LYS 13 20.950 30.908 -4.258 541 1HB LYS 13 1HB LYS 13 23.240 30.582 -3.460 542 2HB LYS 13 2HB LYS 13 22.480 29.043 -3.838 543 1HG LYS 13 1HG LYS 13 23.649 29.360 -6.150 544 2HG LYS 13 2HG LYS 13 24.688 30.463 -5.245 545 1HD LYS 13 1HD LYS 13 25.609 28.788 -3.995 546 2HD LYS 13 2HD LYS 13 24.156 27.787 -4.070 547 1HE LYS 13 1HE LYS 13 25.728 28.285 -6.558 548 2HE LYS 13 2HE LYS 13 26.316 27.105 -5.387 549 1HZ LYS 13 1HZ LYS 13 24.315 25.860 -5.601 550 2HZ LYS 13 2HZ LYS 13 24.887 26.164 -7.164 551 3HZ LYS 13 3HZ LYS 13 23.585 27.056 -6.551 552 H GLY 14 H GLY 14 20.848 33.037 -4.546 553 1HA GLY 14 1HA GLY 14 23.088 34.467 -5.658 554 2HA GLY 14 2HA GLY 14 21.655 34.530 -6.672 555 H GLU 15 H GLU 15 21.324 36.724 -6.433 556 HA GLU 15 HA GLU 15 20.383 37.550 -3.769 557 1HB GLU 15 1HB GLU 15 21.852 39.357 -5.692 558 2HB GLU 15 2HB GLU 15 21.354 39.733 -4.048 559 1HG GLU 15 1HG GLU 15 22.951 38.199 -3.145 560 2HG GLU 15 2HG GLU 15 23.354 37.601 -4.754 561 H THR 16 H THR 16 18.981 39.537 -3.895 562 HA THR 16 HA THR 16 16.923 40.319 -4.500 563 HB THR 16 HB THR 16 18.510 41.669 -5.833 564 HG1 THR 16 HG1 THR 16 16.936 42.543 -7.114 565 1HG2 THR 16 1HG2 THR 16 18.539 41.288 -8.301 566 2HG2 THR 16 2HG2 THR 16 17.902 39.672 -7.990 567 3HG2 THR 16 3HG2 THR 16 19.480 40.136 -7.352 568 H THR 17 H THR 17 17.190 37.420 -4.756 569 HA THR 17 HA THR 17 16.012 36.448 -7.109 570 HB THR 17 HB THR 17 15.531 34.428 -5.844 571 HG1 THR 17 HG1 THR 17 16.148 35.984 -3.557 572 1HG2 THR 17 1HG2 THR 17 17.756 34.285 -6.290 573 2HG2 THR 17 2HG2 THR 17 17.798 34.264 -4.527 574 3HG2 THR 17 3HG2 THR 17 18.146 35.756 -5.401 575 H THR 18 H THR 18 13.862 35.705 -7.498 576 HA THR 18 HA THR 18 11.858 37.470 -6.317 577 HB THR 18 HB THR 18 10.418 36.651 -8.189 578 HG1 THR 18 HG1 THR 18 11.317 34.663 -8.606 579 1HG2 THR 18 1HG2 THR 18 11.583 38.669 -8.630 580 2HG2 THR 18 2HG2 THR 18 11.736 37.643 -10.058 581 3HG2 THR 18 3HG2 THR 18 13.089 37.802 -8.937 582 H GLU 19 H GLU 19 12.580 34.046 -6.724 583 HA GLU 19 HA GLU 19 10.134 33.131 -5.564 584 1HB GLU 19 1HB GLU 19 12.761 31.763 -6.139 585 2HB GLU 19 2HB GLU 19 11.379 30.928 -5.444 586 1HG GLU 19 1HG GLU 19 10.052 31.459 -7.415 587 2HG GLU 19 2HG GLU 19 11.422 32.322 -8.111 588 H ALA 20 H ALA 20 9.756 32.311 -3.511 589 HA ALA 20 HA ALA 20 11.829 32.295 -1.513 590 1HB ALA 20 1HB ALA 20 11.489 34.588 -1.309 591 2HB ALA 20 2HB ALA 20 10.469 33.908 -0.038 592 3HB ALA 20 3HB ALA 20 9.747 34.450 -1.554 593 H VAL 21 H VAL 21 10.666 30.098 -2.096 594 HA VAL 21 HA VAL 21 8.294 29.715 -0.412 595 HB VAL 21 HB VAL 21 8.362 27.363 -1.427 596 1HG1 VAL 21 1HG1 VAL 21 7.944 29.303 -3.625 597 2HG1 VAL 21 2HG1 VAL 21 7.029 29.557 -2.137 598 3HG1 VAL 21 3HG1 VAL 21 6.884 28.032 -3.013 599 1HG2 VAL 21 1HG2 VAL 21 9.705 26.874 -3.223 600 2HG2 VAL 21 2HG2 VAL 21 10.792 27.887 -2.273 601 3HG2 VAL 21 3HG2 VAL 21 9.933 28.569 -3.655 602 H ASP 22 H ASP 22 9.300 29.820 1.612 603 HA ASP 22 HA ASP 22 11.301 27.762 2.227 604 1HB ASP 22 1HB ASP 22 11.784 30.131 2.822 605 2HB ASP 22 2HB ASP 22 10.394 30.108 3.906 606 H ALA 23 H ALA 23 11.049 26.272 3.784 607 HA ALA 23 HA ALA 23 8.640 25.058 4.220 608 1HB ALA 23 1HB ALA 23 10.456 24.775 6.482 609 2HB ALA 23 2HB ALA 23 11.252 24.621 4.914 610 3HB ALA 23 3HB ALA 23 9.892 23.572 5.319 611 H ALA 24 H ALA 24 10.222 27.446 6.319 612 HA ALA 24 HA ALA 24 8.255 27.417 8.356 613 1HB ALA 24 1HB ALA 24 10.559 28.243 8.676 614 2HB ALA 24 2HB ALA 24 9.337 29.405 9.196 615 3HB ALA 24 3HB ALA 24 10.176 29.634 7.661 616 H THR 25 H THR 25 8.513 29.085 5.305 617 HA THR 25 HA THR 25 6.699 31.182 5.773 618 HB THR 25 HB THR 25 7.372 29.730 3.203 619 HG1 THR 25 HG1 THR 25 8.365 32.157 4.273 620 1HG2 THR 25 1HG2 THR 25 5.663 30.887 2.347 621 2HG2 THR 25 2HG2 THR 25 6.808 32.231 2.414 622 3HG2 THR 25 3HG2 THR 25 5.613 32.024 3.697 623 H PHE 26 H PHE 26 6.242 27.869 4.672 624 HA PHE 26 HA PHE 26 3.465 28.104 4.127 625 1HB PHE 26 1HB PHE 26 5.085 26.245 3.372 626 2HB PHE 26 2HB PHE 26 4.793 25.534 4.958 627 HD1 PHE 26 HD1 PHE 26 2.983 26.809 1.967 628 HD2 PHE 26 HD2 PHE 26 2.995 24.114 5.261 629 HE1 PHE 26 HE1 PHE 26 0.920 25.771 1.120 630 HE2 PHE 26 HE2 PHE 26 0.933 23.069 4.418 631 HZ PHE 26 HZ PHE 26 -0.108 23.897 2.345 632 H GLU 27 H GLU 27 5.269 26.888 6.931 633 HA GLU 27 HA GLU 27 3.112 26.111 8.498 634 1HB GLU 27 1HB GLU 27 5.784 27.223 9.359 635 2HB GLU 27 2HB GLU 27 4.649 26.415 10.430 636 1HG GLU 27 1HG GLU 27 4.821 24.403 8.963 637 2HG GLU 27 2HG GLU 27 6.111 25.226 8.088 638 H LYS 28 H LYS 28 4.812 29.252 8.561 639 HA LYS 28 HA LYS 28 3.118 30.391 10.502 640 1HB LYS 28 1HB LYS 28 5.448 31.145 9.811 641 2HB LYS 28 2HB LYS 28 4.674 31.951 8.453 642 1HG LYS 28 1HG LYS 28 3.270 33.201 10.093 643 2HG LYS 28 2HG LYS 28 4.246 32.495 11.381 644 1HD LYS 28 1HD LYS 28 5.466 34.030 9.102 645 2HD LYS 28 2HD LYS 28 4.898 34.823 10.572 646 1HE LYS 28 1HE LYS 28 6.887 32.561 10.547 647 2HE LYS 28 2HE LYS 28 7.342 34.265 10.544 648 1HZ LYS 28 1HZ LYS 28 5.809 34.350 12.616 649 2HZ LYS 28 2HZ LYS 28 7.387 33.763 12.767 650 3HZ LYS 28 3HZ LYS 28 6.090 32.683 12.682 651 H VAL 29 H VAL 29 3.138 30.813 6.939 652 HA VAL 29 HA VAL 29 0.982 32.614 6.872 653 HB VAL 29 HB VAL 29 1.843 30.680 4.716 654 1HG1 VAL 29 1HG1 VAL 29 0.198 33.207 4.570 655 2HG1 VAL 29 2HG1 VAL 29 -0.362 31.563 4.258 656 3HG1 VAL 29 3HG1 VAL 29 0.811 32.317 3.176 657 1HG2 VAL 29 1HG2 VAL 29 2.613 33.507 4.522 658 2HG2 VAL 29 2HG2 VAL 29 3.540 32.048 4.168 659 3HG2 VAL 29 3HG2 VAL 29 3.391 32.615 5.831 660 H VAL 30 H VAL 30 1.082 29.085 6.620 661 HA VAL 30 HA VAL 30 -1.703 28.833 6.082 662 HB VAL 30 HB VAL 30 0.239 26.739 7.075 663 1HG1 VAL 30 1HG1 VAL 30 -1.369 25.097 6.288 664 2HG1 VAL 30 2HG1 VAL 30 -2.476 26.380 5.806 665 3HG1 VAL 30 3HG1 VAL 30 -2.106 26.130 7.511 666 1HG2 VAL 30 1HG2 VAL 30 0.582 27.957 4.804 667 2HG2 VAL 30 2HG2 VAL 30 -0.775 26.964 4.274 668 3HG2 VAL 30 3HG2 VAL 30 0.696 26.198 4.875 669 H LYS 31 H LYS 31 0.225 28.474 9.088 670 HA LYS 31 HA LYS 31 -1.936 27.671 10.690 671 1HB LYS 31 1HB LYS 31 0.581 27.617 11.205 672 2HB LYS 31 2HB LYS 31 0.402 29.305 11.661 673 1HG LYS 31 1HG LYS 31 -1.224 28.685 13.365 674 2HG LYS 31 2HG LYS 31 -1.076 26.991 12.896 675 1HD LYS 31 1HD LYS 31 1.064 26.803 13.761 676 2HD LYS 31 2HD LYS 31 1.358 28.541 13.679 677 1HE LYS 31 1HE LYS 31 -0.691 28.515 15.409 678 2HE LYS 31 2HE LYS 31 0.005 26.933 15.760 679 1HZ LYS 31 1HZ LYS 31 0.914 28.730 17.151 680 2HZ LYS 31 2HZ LYS 31 1.535 29.478 15.768 681 3HZ LYS 31 3HZ LYS 31 2.105 27.956 16.233 682 H GLN 32 H GLN 32 -0.559 30.864 10.007 683 HA GLN 32 HA GLN 32 -2.273 32.321 11.699 684 1HB GLN 32 1HB GLN 32 -0.124 33.136 10.650 685 2HB GLN 32 2HB GLN 32 -1.021 33.341 9.150 686 1HG GLN 32 1HG GLN 32 -0.890 35.453 10.240 687 2HG GLN 32 2HG GLN 32 -2.555 34.882 10.344 688 1HE2 GLN 32 1HE2 GLN 32 -3.201 35.906 12.151 689 2HE2 GLN 32 2HE2 GLN 32 -2.503 35.669 13.713 690 H PHE 33 H PHE 33 -2.516 31.551 8.211 691 HA PHE 33 HA PHE 33 -4.921 32.972 7.830 692 1HB PHE 33 1HB PHE 33 -3.740 32.676 5.880 693 2HB PHE 33 2HB PHE 33 -3.283 31.028 6.276 694 HD1 PHE 33 HD1 PHE 33 -6.527 32.835 5.708 695 HD2 PHE 33 HD2 PHE 33 -4.026 29.515 4.797 696 HE1 PHE 33 HE1 PHE 33 -8.240 31.969 4.161 697 HE2 PHE 33 HE2 PHE 33 -5.735 28.637 3.262 698 HZ PHE 33 HZ PHE 33 -7.846 29.858 2.944 699 H PHE 34 H PHE 34 -4.278 29.521 8.420 700 HA PHE 34 HA PHE 34 -7.054 28.869 8.302 701 1HB PHE 34 1HB PHE 34 -4.577 27.332 8.936 702 2HB PHE 34 2HB PHE 34 -6.154 26.643 9.333 703 HD1 PHE 34 HD1 PHE 34 -4.039 27.896 6.579 704 HD2 PHE 34 HD2 PHE 34 -7.609 25.840 7.645 705 HE1 PHE 34 HE1 PHE 34 -4.363 27.248 4.229 706 HE2 PHE 34 HE2 PHE 34 -7.938 25.185 5.298 707 HZ PHE 34 HZ PHE 34 -6.320 25.898 3.584 708 H ASN 35 H ASN 35 -4.863 29.677 10.933 709 HA ASN 35 HA ASN 35 -6.403 28.749 13.074 710 1HB ASN 35 1HB ASN 35 -4.413 30.970 12.789 711 2HB ASN 35 2HB ASN 35 -5.341 30.833 14.278 712 1HD2 ASN 35 1HD2 ASN 35 -4.372 28.020 12.406 713 2HD2 ASN 35 2HD2 ASN 35 -3.214 27.439 13.549 714 H ASP 36 H ASP 36 -6.791 31.538 11.042 715 HA ASP 36 HA ASP 36 -8.575 33.039 12.603 716 1HB ASP 36 1HB ASP 36 -8.447 32.892 9.588 717 2HB ASP 36 2HB ASP 36 -9.138 34.197 10.545 718 H ASN 37 H ASN 37 -9.053 30.069 10.986 719 HA ASN 37 HA ASN 37 -11.974 30.449 11.011 720 1HB ASN 37 1HB ASN 37 -12.160 28.602 9.465 721 2HB ASN 37 2HB ASN 37 -10.988 29.760 8.846 722 1HD2 ASN 37 1HD2 ASN 37 -9.280 28.864 7.992 723 2HD2 ASN 37 2HD2 ASN 37 -8.557 27.370 8.467 724 H GLY 38 H GLY 38 -9.418 28.714 12.561 725 1HA GLY 38 1HA GLY 38 -10.281 27.927 14.821 726 2HA GLY 38 2HA GLY 38 -11.417 26.982 13.879 727 H VAL 39 H VAL 39 -8.306 27.166 12.452 728 HA VAL 39 HA VAL 39 -7.853 24.369 13.126 729 HB VAL 39 HB VAL 39 -6.216 26.132 11.296 730 1HG1 VAL 39 1HG1 VAL 39 -6.277 23.189 11.863 731 2HG1 VAL 39 2HG1 VAL 39 -4.895 24.284 11.791 732 3HG1 VAL 39 3HG1 VAL 39 -5.714 23.798 10.306 733 1HG2 VAL 39 1HG2 VAL 39 -7.603 24.503 9.638 734 2HG2 VAL 39 2HG2 VAL 39 -8.094 26.147 10.051 735 3HG2 VAL 39 3HG2 VAL 39 -8.798 24.776 10.907 736 H ASP 40 H ASP 40 -6.065 23.581 14.218 737 HA ASP 40 HA ASP 40 -3.976 25.354 15.114 738 1HB ASP 40 1HB ASP 40 -6.012 24.240 17.045 739 2HB ASP 40 2HB ASP 40 -4.419 24.790 17.552 740 H GLY 41 H GLY 41 -2.665 24.034 16.919 741 1HA GLY 41 1HA GLY 41 -2.101 21.705 17.562 742 2HA GLY 41 2HA GLY 41 -2.391 21.274 15.884 743 H GLU 42 H GLU 42 -0.352 20.458 15.483 744 HA GLU 42 HA GLU 42 1.720 22.468 15.103 745 1HB GLU 42 1HB GLU 42 2.236 19.932 16.667 746 2HB GLU 42 2HB GLU 42 3.434 21.143 16.229 747 1HG GLU 42 1HG GLU 42 2.042 22.790 17.562 748 2HG GLU 42 2HG GLU 42 1.170 21.389 18.181 749 H TRP 43 H TRP 43 3.409 21.788 13.668 750 HA TRP 43 HA TRP 43 2.456 20.094 11.575 751 1HB TRP 43 1HB TRP 43 5.072 21.539 11.988 752 2HB TRP 43 2HB TRP 43 4.710 20.588 10.549 753 HD1 TRP 43 HD1 TRP 43 4.016 23.933 12.167 754 HE1 TRP 43 HE1 TRP 43 2.662 25.400 10.542 755 HE3 TRP 43 HE3 TRP 43 2.892 20.411 8.636 756 HZ2 TRP 43 HZ2 TRP 43 1.297 25.103 8.090 757 HZ3 TRP 43 HZ3 TRP 43 1.556 21.084 6.682 758 HH2 TRP 43 HH2 TRP 43 0.775 23.382 6.416 759 H THR 44 H THR 44 2.563 18.008 11.505 760 HA THR 44 HA THR 44 4.727 16.635 12.948 761 HB THR 44 HB THR 44 3.243 14.689 13.049 762 HG1 THR 44 HG1 THR 44 1.597 14.579 11.782 763 1HG2 THR 44 1HG2 THR 44 1.774 15.393 14.694 764 2HG2 THR 44 2HG2 THR 44 1.551 16.978 13.956 765 3HG2 THR 44 3HG2 THR 44 3.068 16.588 14.763 766 H TYR 45 H TYR 45 5.921 15.122 11.921 767 HA TYR 45 HA TYR 45 6.174 15.330 9.094 768 1HB TYR 45 1HB TYR 45 7.503 13.658 11.201 769 2HB TYR 45 2HB TYR 45 7.778 13.314 9.496 770 HD1 TYR 45 HD1 TYR 45 8.585 15.472 12.273 771 HD2 TYR 45 HD2 TYR 45 8.790 15.088 8.041 772 HE1 TYR 45 HE1 TYR 45 10.309 17.224 12.204 773 HE2 TYR 45 HE2 TYR 45 10.515 16.838 7.959 774 HH TYR 45 HH TYR 45 11.240 18.776 9.380 775 H ASP 46 H ASP 46 5.711 13.841 7.487 776 HA ASP 46 HA ASP 46 3.406 12.218 7.921 777 1HB ASP 46 1HB ASP 46 5.206 12.741 5.573 778 2HB ASP 46 2HB ASP 46 3.994 11.468 5.495 779 H ASP 47 H ASP 47 3.266 9.919 7.387 780 HA ASP 47 HA ASP 47 5.168 8.382 8.807 781 1HB ASP 47 1HB ASP 47 2.876 7.637 6.994 782 2HB ASP 47 2HB ASP 47 3.897 6.421 7.755 783 H ALA 48 H ALA 48 7.038 7.527 8.175 784 HA ALA 48 HA ALA 48 8.242 8.058 5.738 785 1HB ALA 48 1HB ALA 48 9.621 7.522 7.572 786 2HB ALA 48 2HB ALA 48 9.851 6.223 6.400 787 3HB ALA 48 3HB ALA 48 8.826 5.965 7.814 788 H THR 49 H THR 49 8.611 6.926 3.876 789 HA THR 49 HA THR 49 7.262 4.355 3.498 790 HB THR 49 HB THR 49 7.000 6.579 1.477 791 HG1 THR 49 HG1 THR 49 5.548 7.396 2.725 792 1HG2 THR 49 1HG2 THR 49 5.017 5.219 0.774 793 2HG2 THR 49 2HG2 THR 49 5.617 3.937 1.828 794 3HG2 THR 49 3HG2 THR 49 6.592 4.485 0.463 795 H LYS 50 H LYS 50 8.046 3.164 1.625 796 HA LYS 50 HA LYS 50 10.698 4.080 0.718 797 1HB LYS 50 1HB LYS 50 9.843 1.458 1.848 798 2HB LYS 50 2HB LYS 50 11.068 1.455 0.587 799 1HG LYS 50 1HG LYS 50 12.400 3.041 1.962 800 2HG LYS 50 2HG LYS 50 11.208 2.849 3.250 801 1HD LYS 50 1HD LYS 50 12.547 0.460 2.033 802 2HD LYS 50 2HD LYS 50 13.351 1.398 3.295 803 1HE LYS 50 1HE LYS 50 11.016 1.101 4.499 804 2HE LYS 50 2HE LYS 50 10.916 -0.307 3.442 805 1HZ LYS 50 1HZ LYS 50 11.882 -0.904 5.556 806 2HZ LYS 50 2HZ LYS 50 13.089 0.269 5.383 807 3HZ LYS 50 3HZ LYS 50 13.046 -1.060 4.338 808 H THR 51 H THR 51 10.787 4.372 -1.384 809 HA THR 51 HA THR 51 8.921 2.915 -3.124 810 HB THR 51 HB THR 51 10.402 5.526 -3.504 811 HG1 THR 51 HG1 THR 51 8.365 6.395 -3.446 812 1HG2 THR 51 1HG2 THR 51 8.560 4.176 -5.466 813 2HG2 THR 51 2HG2 THR 51 10.298 4.394 -5.666 814 3HG2 THR 51 3HG2 THR 51 9.234 5.798 -5.612 815 H PHE 52 H PHE 52 9.655 1.550 -4.664 816 HA PHE 52 HA PHE 52 12.444 0.826 -4.626 817 1HB PHE 52 1HB PHE 52 10.601 -0.854 -4.775 818 2HB PHE 52 2HB PHE 52 10.236 -0.252 -6.388 819 HD1 PHE 52 HD1 PHE 52 12.773 -1.972 -4.340 820 HD2 PHE 52 HD2 PHE 52 11.518 -0.905 -8.264 821 HE1 PHE 52 HE1 PHE 52 14.436 -3.517 -5.288 822 HE2 PHE 52 HE2 PHE 52 13.178 -2.449 -9.219 823 HZ PHE 52 HZ PHE 52 14.639 -3.758 -7.731 824 H THR 53 H THR 53 13.945 1.764 -5.843 825 HA THR 53 HA THR 53 13.149 3.270 -8.212 826 HB THR 53 HB THR 53 15.828 3.043 -6.818 827 HG1 THR 53 HG1 THR 53 13.846 5.069 -6.808 828 1HG2 THR 53 1HG2 THR 53 15.198 4.120 -9.389 829 2HG2 THR 53 2HG2 THR 53 16.751 4.045 -8.555 830 3HG2 THR 53 3HG2 THR 53 15.675 5.419 -8.295 831 H VAL 54 H VAL 54 13.283 2.440 -10.193 832 HA VAL 54 HA VAL 54 14.323 -0.175 -10.638 833 HB VAL 54 HB VAL 54 13.687 1.769 -12.842 834 1HG1 VAL 54 1HG1 VAL 54 14.629 -0.280 -13.603 835 2HG1 VAL 54 2HG1 VAL 54 12.899 -0.340 -13.939 836 3HG1 VAL 54 3HG1 VAL 54 13.561 -1.226 -12.566 837 1HG2 VAL 54 1HG2 VAL 54 11.339 0.845 -12.714 838 2HG2 VAL 54 2HG2 VAL 54 11.787 1.976 -11.437 839 3HG2 VAL 54 3HG2 VAL 54 11.754 0.244 -11.110 840 H THR 55 H THR 55 16.009 -0.768 -12.101 841 HA THR 55 HA THR 55 17.957 1.272 -12.807 842 HB THR 55 HB THR 55 18.712 -1.108 -11.106 843 HG1 THR 55 HG1 THR 55 18.617 1.648 -10.447 844 1HG2 THR 55 1HG2 THR 55 20.875 -0.593 -11.336 845 2HG2 THR 55 2HG2 THR 55 20.566 1.144 -11.382 846 3HG2 THR 55 3HG2 THR 55 20.345 0.170 -12.836 847 H GLU 56 H GLU 56 17.916 -2.263 -12.525 848 HA GLU 56 HA GLU 56 18.284 -3.925 -14.034 849 1HB GLU 56 1HB GLU 56 17.358 -1.963 -16.131 850 2HB GLU 56 2HB GLU 56 17.289 -3.718 -16.202 851 1HG GLU 56 1HG GLU 56 15.521 -3.837 -14.700 852 2HG GLU 56 2HG GLU 56 15.812 -2.210 -14.084 853 1H MET 1 1H MET 1 4.583 -0.061 8.240 854 2H MET 1 2H MET 1 6.053 -0.591 8.950 855 3H MET 1 3H MET 1 5.250 -1.576 7.796 856 HA MET 1 HA MET 1 6.484 1.053 7.321 857 1HB MET 1 1HB MET 1 7.952 -0.992 7.712 858 2HB MET 1 2HB MET 1 7.252 -1.659 6.244 859 1HG MET 1 1HG MET 1 9.369 -0.664 5.733 860 2HG MET 1 2HG MET 1 8.088 0.293 4.995 861 1HE MET 1 1HE MET 1 7.719 2.372 5.096 862 2HE MET 1 2HE MET 1 8.719 3.623 5.838 863 3HE MET 1 3HE MET 1 7.323 2.979 6.704 864 H GLN 2 H GLN 2 5.701 2.110 5.624 865 HA GLN 2 HA GLN 2 3.702 0.842 3.943 866 1HB GLN 2 1HB GLN 2 3.577 3.223 4.922 867 2HB GLN 2 2HB GLN 2 4.713 3.664 3.656 868 1HG GLN 2 1HG GLN 2 3.179 3.399 1.988 869 2HG GLN 2 2HG GLN 2 2.243 2.206 2.887 870 1HE2 GLN 2 1HE2 GLN 2 1.096 3.055 4.826 871 2HE2 GLN 2 2HE2 GLN 2 0.376 4.621 4.705 872 H TYR 3 H TYR 3 4.142 -0.064 2.046 873 HA TYR 3 HA TYR 3 6.698 0.607 0.758 874 1HB TYR 3 1HB TYR 3 5.125 -1.936 0.917 875 2HB TYR 3 2HB TYR 3 6.246 -1.675 -0.416 876 HD1 TYR 3 HD1 TYR 3 5.908 -2.794 2.936 877 HD2 TYR 3 HD2 TYR 3 8.671 -1.028 0.227 878 HE1 TYR 3 HE1 TYR 3 7.769 -3.527 4.366 879 HE2 TYR 3 HE2 TYR 3 10.540 -1.757 1.648 880 HH TYR 3 HH TYR 3 10.949 -2.381 3.977 881 H LYS 4 H LYS 4 6.756 1.423 -1.162 882 HA LYS 4 HA LYS 4 4.252 1.701 -2.691 883 1HB LYS 4 1HB LYS 4 6.684 3.417 -2.414 884 2HB LYS 4 2HB LYS 4 5.761 3.496 -3.909 885 1HG LYS 4 1HG LYS 4 3.728 3.830 -2.320 886 2HG LYS 4 2HG LYS 4 4.963 4.292 -1.147 887 1HD LYS 4 1HD LYS 4 5.829 5.838 -3.039 888 2HD LYS 4 2HD LYS 4 4.225 5.604 -3.738 889 1HE LYS 4 1HE LYS 4 3.372 6.260 -1.384 890 2HE LYS 4 2HE LYS 4 4.992 6.913 -1.154 891 1HZ LYS 4 1HZ LYS 4 3.125 7.672 -3.337 892 2HZ LYS 4 2HZ LYS 4 4.671 8.315 -3.089 893 3HZ LYS 4 3HZ LYS 4 3.447 8.595 -1.954 894 H VAL 5 H VAL 5 4.030 0.648 -4.557 895 HA VAL 5 HA VAL 5 6.413 -0.070 -6.101 896 HB VAL 5 HB VAL 5 4.281 -2.106 -5.450 897 1HG1 VAL 5 1HG1 VAL 5 5.558 -2.251 -7.642 898 2HG1 VAL 5 2HG1 VAL 5 5.609 -3.673 -6.601 899 3HG1 VAL 5 3HG1 VAL 5 6.990 -2.577 -6.665 900 1HG2 VAL 5 1HG2 VAL 5 7.072 -1.852 -4.333 901 2HG2 VAL 5 2HG2 VAL 5 5.965 -3.192 -4.042 902 3HG2 VAL 5 3HG2 VAL 5 5.571 -1.581 -3.449 903 H ILE 6 H ILE 6 6.151 0.311 -8.197 904 HA ILE 6 HA ILE 6 3.493 0.993 -9.187 905 HB ILE 6 HB ILE 6 6.100 1.236 -10.679 906 1HG1 ILE 6 1HG1 ILE 6 4.734 3.355 -9.006 907 2HG1 ILE 6 2HG1 ILE 6 6.173 2.470 -8.512 908 1HG2 ILE 6 1HG2 ILE 6 4.687 3.148 -11.727 909 2HG2 ILE 6 2HG2 ILE 6 3.317 2.245 -11.076 910 3HG2 ILE 6 3HG2 ILE 6 4.410 1.480 -12.231 911 1HD1 ILE 6 1HD1 ILE 6 5.996 4.214 -10.956 912 2HD1 ILE 6 2HD1 ILE 6 7.440 3.429 -10.314 913 3HD1 ILE 6 3HD1 ILE 6 6.655 4.717 -9.399 914 H LEU 7 H LEU 7 2.313 -0.341 -10.421 915 HA LEU 7 HA LEU 7 3.681 -2.383 -12.017 916 1HB LEU 7 1HB LEU 7 1.709 -2.811 -9.855 917 2HB LEU 7 2HB LEU 7 1.430 -3.724 -11.328 918 HG LEU 7 HG LEU 7 4.045 -4.257 -10.973 919 1HD1 LEU 7 1HD1 LEU 7 4.781 -4.220 -8.833 920 2HD1 LEU 7 2HD1 LEU 7 3.170 -4.460 -8.156 921 3HD1 LEU 7 3HD1 LEU 7 3.656 -2.865 -8.732 922 1HD2 LEU 7 1HD2 LEU 7 2.235 -5.909 -9.315 923 2HD2 LEU 7 2HD2 LEU 7 3.359 -6.385 -10.587 924 3HD2 LEU 7 3HD2 LEU 7 1.791 -5.699 -11.009 925 H ASN 8 H ASN 8 3.169 -1.965 -14.070 926 HA ASN 8 HA ASN 8 0.399 -1.656 -14.839 927 1HB ASN 8 1HB ASN 8 1.306 0.670 -14.255 928 2HB ASN 8 2HB ASN 8 2.315 0.510 -15.689 929 1HD2 ASN 8 1HD2 ASN 8 0.169 2.396 -15.099 930 2HD2 ASN 8 2HD2 ASN 8 -0.990 2.212 -16.368 931 H GLY 9 H GLY 9 0.234 -3.102 -16.419 932 1HA GLY 9 1HA GLY 9 2.334 -4.196 -17.884 933 2HA GLY 9 2HA GLY 9 0.644 -4.262 -18.355 934 H LYS 10 H LYS 10 0.296 -1.417 -18.646 935 HA LYS 10 HA LYS 10 0.441 0.185 -20.258 936 1HB LYS 10 1HB LYS 10 3.297 -0.789 -20.254 937 2HB LYS 10 2HB LYS 10 2.755 0.559 -21.244 938 1HG LYS 10 1HG LYS 10 1.849 1.462 -18.951 939 2HG LYS 10 2HG LYS 10 3.075 0.375 -18.293 940 1HD LYS 10 1HD LYS 10 4.808 1.490 -19.523 941 2HD LYS 10 2HD LYS 10 3.625 2.467 -20.395 942 1HE LYS 10 1HE LYS 10 4.187 3.990 -18.814 943 2HE LYS 10 2HE LYS 10 2.954 3.127 -17.897 944 1HZ LYS 10 1HZ LYS 10 5.808 2.360 -17.776 945 2HZ LYS 10 2HZ LYS 10 4.568 1.962 -16.697 946 3HZ LYS 10 3HZ LYS 10 5.159 3.546 -16.756 947 H THR 11 H THR 11 -0.987 -0.734 -21.715 948 HA THR 11 HA THR 11 -1.723 -1.677 -23.649 949 HB THR 11 HB THR 11 -0.433 -1.284 -25.612 950 HG1 THR 11 HG1 THR 11 1.588 -1.771 -25.566 951 1HG2 THR 11 1HG2 THR 11 -1.124 0.800 -24.731 952 2HG2 THR 11 2HG2 THR 11 0.548 0.987 -25.262 953 3HG2 THR 11 3HG2 THR 11 0.182 0.806 -23.546 954 H LEU 12 H LEU 12 -0.658 -3.290 -25.566 955 HA LEU 12 HA LEU 12 -0.402 -5.774 -24.133 956 1HB LEU 12 1HB LEU 12 -0.783 -4.965 -26.969 957 2HB LEU 12 2HB LEU 12 -0.108 -6.553 -26.660 958 HG LEU 12 HG LEU 12 -2.142 -6.899 -25.113 959 1HD1 LEU 12 1HD1 LEU 12 -2.896 -4.410 -26.589 960 2HD1 LEU 12 2HD1 LEU 12 -3.096 -4.801 -24.880 961 3HD1 LEU 12 3HD1 LEU 12 -4.128 -5.568 -26.088 962 1HD2 LEU 12 1HD2 LEU 12 -1.780 -8.030 -27.273 963 2HD2 LEU 12 2HD2 LEU 12 -2.574 -6.684 -28.089 964 3HD2 LEU 12 3HD2 LEU 12 -3.482 -7.692 -26.963 965 H LYS 13 H LYS 13 1.224 -7.409 -25.274 966 HA LYS 13 HA LYS 13 3.873 -6.131 -25.126 967 1HB LYS 13 1HB LYS 13 4.715 -8.359 -24.453 968 2HB LYS 13 2HB LYS 13 3.516 -7.722 -23.335 969 1HG LYS 13 1HG LYS 13 1.873 -9.220 -24.064 970 2HG LYS 13 2HG LYS 13 2.768 -9.623 -25.531 971 1HD LYS 13 1HD LYS 13 4.440 -10.790 -24.252 972 2HD LYS 13 2HD LYS 13 3.706 -10.264 -22.736 973 1HE LYS 13 1HE LYS 13 1.679 -11.532 -23.294 974 2HE LYS 13 2HE LYS 13 2.438 -12.075 -24.789 975 1HZ LYS 13 1HZ LYS 13 2.759 -13.810 -23.286 976 2HZ LYS 13 2HZ LYS 13 3.160 -12.774 -22.011 977 3HZ LYS 13 3HZ LYS 13 4.246 -13.000 -23.288 978 H GLY 14 H GLY 14 5.589 -7.112 -26.447 979 1HA GLY 14 1HA GLY 14 4.608 -8.491 -28.850 980 2HA GLY 14 2HA GLY 14 5.489 -6.983 -29.038 981 H GLU 15 H GLU 15 7.323 -7.650 -30.011 982 HA GLU 15 HA GLU 15 8.937 -9.662 -28.580 983 1HB GLU 15 1HB GLU 15 9.949 -10.191 -30.818 984 2HB GLU 15 2HB GLU 15 8.259 -10.644 -30.651 985 1HG GLU 15 1HG GLU 15 7.540 -8.838 -31.988 986 2HG GLU 15 2HG GLU 15 9.124 -8.067 -31.924 987 H THR 16 H THR 16 8.971 -6.844 -28.079 988 HA THR 16 HA THR 16 11.688 -6.191 -29.021 989 HB THR 16 HB THR 16 9.574 -4.163 -28.295 990 HG1 THR 16 HG1 THR 16 8.890 -4.199 -30.287 991 1HG2 THR 16 1HG2 THR 16 11.038 -2.565 -28.789 992 2HG2 THR 16 2HG2 THR 16 11.648 -3.431 -30.200 993 3HG2 THR 16 3HG2 THR 16 12.267 -3.814 -28.594 994 H THR 17 H THR 17 9.390 -5.207 -26.467 995 HA THR 17 HA THR 17 11.647 -5.040 -24.602 996 HB THR 17 HB THR 17 10.146 -3.743 -23.171 997 HG1 THR 17 HG1 THR 17 8.055 -3.328 -23.792 998 1HG2 THR 17 1HG2 THR 17 9.483 -1.920 -24.901 999 2HG2 THR 17 2HG2 THR 17 10.441 -2.902 -26.010 1000 3HG2 THR 17 3HG2 THR 17 11.181 -2.240 -24.553 1001 H THR 18 H THR 18 10.670 -5.444 -22.203 1002 HA THR 18 HA THR 18 9.173 -7.957 -22.183 1003 HB THR 18 HB THR 18 10.785 -9.072 -20.777 1004 HG1 THR 18 HG1 THR 18 11.718 -7.505 -19.593 1005 1HG2 THR 18 1HG2 THR 18 11.223 -8.703 -23.393 1006 2HG2 THR 18 2HG2 THR 18 12.270 -9.670 -22.352 1007 3HG2 THR 18 3HG2 THR 18 12.703 -8.003 -22.735 1008 H GLU 19 H GLU 19 7.477 -7.492 -20.937 1009 HA GLU 19 HA GLU 19 7.954 -6.457 -18.253 1010 1HB GLU 19 1HB GLU 19 6.137 -4.799 -18.455 1011 2HB GLU 19 2HB GLU 19 7.484 -4.444 -19.526 1012 1HG GLU 19 1HG GLU 19 6.187 -5.564 -21.360 1013 2HG GLU 19 2HG GLU 19 4.813 -5.607 -20.255 1014 H ALA 20 H ALA 20 6.127 -6.773 -16.811 1015 HA ALA 20 HA ALA 20 3.844 -8.270 -17.646 1016 1HB ALA 20 1HB ALA 20 5.975 -9.866 -17.481 1017 2HB ALA 20 2HB ALA 20 4.351 -10.399 -17.046 1018 3HB ALA 20 3HB ALA 20 5.481 -9.894 -15.788 1019 H VAL 21 H VAL 21 4.397 -5.886 -16.128 1020 HA VAL 21 HA VAL 21 3.623 -6.637 -13.400 1021 HB VAL 21 HB VAL 21 3.949 -4.139 -12.962 1022 1HG1 VAL 21 1HG1 VAL 21 6.546 -5.268 -13.829 1023 2HG1 VAL 21 2HG1 VAL 21 5.599 -6.209 -12.677 1024 3HG1 VAL 21 3HG1 VAL 21 6.075 -4.557 -12.285 1025 1HG2 VAL 21 1HG2 VAL 21 4.951 -2.771 -14.504 1026 2HG2 VAL 21 2HG2 VAL 21 3.970 -3.775 -15.568 1027 3HG2 VAL 21 3HG2 VAL 21 5.689 -4.112 -15.379 1028 H ASP 22 H ASP 22 1.461 -7.184 -13.807 1029 HA ASP 22 HA ASP 22 -0.306 -5.041 -14.759 1030 1HB ASP 22 1HB ASP 22 -0.450 -7.281 -15.834 1031 2HB ASP 22 2HB ASP 22 -0.925 -7.962 -14.281 1032 H ALA 23 H ALA 23 -1.977 -4.274 -13.605 1033 HA ALA 23 HA ALA 23 -1.793 -3.895 -10.905 1034 1HB ALA 23 1HB ALA 23 -4.554 -3.965 -11.824 1035 2HB ALA 23 2HB ALA 23 -3.470 -3.111 -12.924 1036 3HB ALA 23 3HB ALA 23 -3.586 -2.611 -11.235 1037 H ALA 24 H ALA 24 -3.681 -6.400 -12.569 1038 HA ALA 24 HA ALA 24 -4.815 -7.534 -10.235 1039 1HB ALA 24 1HB ALA 24 -5.744 -7.847 -12.495 1040 2HB ALA 24 2HB ALA 24 -5.473 -9.376 -11.661 1041 3HB ALA 24 3HB ALA 24 -4.351 -8.844 -12.912 1042 H THR 25 H THR 25 -1.759 -7.961 -11.860 1043 HA THR 25 HA THR 25 -1.023 -10.461 -10.807 1044 HB THR 25 HB THR 25 0.701 -8.110 -11.620 1045 HG1 THR 25 HG1 THR 25 -0.018 -10.449 -13.046 1046 1HG2 THR 25 1HG2 THR 25 2.367 -9.280 -10.700 1047 2HG2 THR 25 2HG2 THR 25 2.217 -10.252 -12.167 1048 3HG2 THR 25 3HG2 THR 25 1.444 -10.785 -10.674 1049 H PHE 26 H PHE 26 -0.659 -7.185 -9.571 1050 HA PHE 26 HA PHE 26 0.891 -7.884 -7.297 1051 1HB PHE 26 1HB PHE 26 0.543 -5.546 -8.329 1052 2HB PHE 26 2HB PHE 26 -0.951 -5.505 -7.394 1053 HD1 PHE 26 HD1 PHE 26 2.703 -6.096 -7.006 1054 HD2 PHE 26 HD2 PHE 26 -0.912 -4.746 -5.213 1055 HE1 PHE 26 HE1 PHE 26 3.965 -5.363 -5.025 1056 HE2 PHE 26 HE2 PHE 26 0.343 -4.007 -3.229 1057 HZ PHE 26 HZ PHE 26 2.784 -4.316 -3.134 1058 H GLU 27 H GLU 27 -2.579 -7.294 -7.750 1059 HA GLU 27 HA GLU 27 -3.397 -7.633 -5.118 1060 1HB GLU 27 1HB GLU 27 -4.872 -8.294 -7.668 1061 2HB GLU 27 2HB GLU 27 -5.620 -8.196 -6.080 1062 1HG GLU 27 1HG GLU 27 -4.865 -5.830 -5.943 1063 2HG GLU 27 2HG GLU 27 -4.310 -5.964 -7.610 1064 H LYS 28 H LYS 28 -3.316 -10.106 -7.694 1065 HA LYS 28 HA LYS 28 -4.179 -12.205 -6.022 1066 1HB LYS 28 1HB LYS 28 -4.225 -12.104 -8.563 1067 2HB LYS 28 2HB LYS 28 -2.527 -12.558 -8.512 1068 1HG LYS 28 1HG LYS 28 -3.189 -14.587 -7.215 1069 2HG LYS 28 2HG LYS 28 -4.874 -14.152 -7.511 1070 1HD LYS 28 1HD LYS 28 -2.882 -14.491 -9.739 1071 2HD LYS 28 2HD LYS 28 -3.819 -15.842 -9.097 1072 1HE LYS 28 1HE LYS 28 -5.049 -13.298 -10.140 1073 2HE LYS 28 2HE LYS 28 -4.791 -14.733 -11.130 1074 1HZ LYS 28 1HZ LYS 28 -6.099 -15.893 -9.238 1075 2HZ LYS 28 2HZ LYS 28 -6.940 -15.015 -10.413 1076 3HZ LYS 28 3HZ LYS 28 -6.657 -14.334 -8.893 1077 H VAL 29 H VAL 29 -0.875 -11.379 -7.154 1078 HA VAL 29 HA VAL 29 0.398 -13.512 -5.841 1079 HB VAL 29 HB VAL 29 1.563 -10.814 -6.542 1080 1HG1 VAL 29 1HG1 VAL 29 2.894 -13.460 -5.960 1081 2HG1 VAL 29 2HG1 VAL 29 2.989 -11.993 -4.983 1082 3HG1 VAL 29 3HG1 VAL 29 3.717 -12.032 -6.591 1083 1HG2 VAL 29 1HG2 VAL 29 2.124 -13.140 -8.247 1084 2HG2 VAL 29 2HG2 VAL 29 1.787 -11.466 -8.684 1085 3HG2 VAL 29 3HG2 VAL 29 0.461 -12.560 -8.296 1086 H VAL 30 H VAL 30 -0.259 -10.193 -4.803 1087 HA VAL 30 HA VAL 30 1.171 -10.448 -2.355 1088 HB VAL 30 HB VAL 30 -0.930 -8.417 -3.126 1089 1HG1 VAL 30 1HG1 VAL 30 -0.019 -7.038 -1.335 1090 2HG1 VAL 30 2HG1 VAL 30 1.101 -8.326 -0.894 1091 3HG1 VAL 30 3HG1 VAL 30 -0.636 -8.560 -0.692 1092 1HG2 VAL 30 1HG2 VAL 30 1.298 -8.678 -4.453 1093 2HG2 VAL 30 2HG2 VAL 30 2.010 -7.899 -3.039 1094 3HG2 VAL 30 3HG2 VAL 30 0.752 -7.075 -3.961 1095 H LYS 31 H LYS 31 -2.321 -10.683 -3.154 1096 HA LYS 31 HA LYS 31 -3.173 -11.015 -0.500 1097 1HB LYS 31 1HB LYS 31 -4.564 -10.531 -2.602 1098 2HB LYS 31 2HB LYS 31 -4.504 -12.262 -2.899 1099 1HG LYS 31 1HG LYS 31 -5.596 -12.681 -0.765 1100 2HG LYS 31 2HG LYS 31 -5.631 -10.948 -0.434 1101 1HD LYS 31 1HD LYS 31 -7.235 -10.540 -2.057 1102 2HD LYS 31 2HD LYS 31 -6.854 -12.016 -2.946 1103 1HE LYS 31 1HE LYS 31 -7.672 -13.091 -0.631 1104 2HE LYS 31 2HE LYS 31 -8.615 -11.602 -0.606 1105 1HZ LYS 31 1HZ LYS 31 -9.788 -13.459 -1.668 1106 2HZ LYS 31 2HZ LYS 31 -8.584 -13.542 -2.853 1107 3HZ LYS 31 3HZ LYS 31 -9.554 -12.162 -2.730 1108 H GLN 32 H GLN 32 -2.292 -13.354 -3.011 1109 HA GLN 32 HA GLN 32 -2.846 -15.668 -1.506 1110 1HB GLN 32 1HB GLN 32 -2.479 -15.532 -4.002 1111 2HB GLN 32 2HB GLN 32 -0.756 -15.427 -3.667 1112 1HG GLN 32 1HG GLN 32 -1.286 -17.686 -4.211 1113 2HG GLN 32 2HG GLN 32 -0.903 -17.604 -2.493 1114 1HE2 GLN 32 1HE2 GLN 32 -2.050 -19.301 -1.760 1115 2HE2 GLN 32 2HE2 GLN 32 -3.766 -19.444 -1.876 1116 H PHE 33 H PHE 33 0.198 -13.840 -1.968 1117 HA PHE 33 HA PHE 33 1.752 -15.583 -0.386 1118 1HB PHE 33 1HB PHE 33 3.009 -14.364 -1.878 1119 2HB PHE 33 2HB PHE 33 2.093 -12.894 -1.623 1120 HD1 PHE 33 HD1 PHE 33 4.210 -15.123 0.532 1121 HD2 PHE 33 HD2 PHE 33 3.329 -11.194 -0.843 1122 HE1 PHE 33 HE1 PHE 33 6.015 -14.222 1.948 1123 HE2 PHE 33 HE2 PHE 33 5.119 -10.286 0.576 1124 HZ PHE 33 HZ PHE 33 6.463 -11.796 1.976 1125 H PHE 34 H PHE 34 0.159 -12.489 0.364 1126 HA PHE 34 HA PHE 34 1.109 -12.524 3.056 1127 1HB PHE 34 1HB PHE 34 -0.726 -10.745 1.518 1128 2HB PHE 34 2HB PHE 34 -0.677 -10.632 3.278 1129 HD1 PHE 34 HD1 PHE 34 1.336 -10.328 0.201 1130 HD2 PHE 34 HD2 PHE 34 1.177 -9.683 4.404 1131 HE1 PHE 34 HE1 PHE 34 3.417 -9.022 0.076 1132 HE2 PHE 34 HE2 PHE 34 3.254 -8.372 4.286 1133 HZ PHE 34 HZ PHE 34 4.382 -8.049 2.121 1134 H ASN 35 H ASN 35 -1.857 -13.625 1.517 1135 HA ASN 35 HA ASN 35 -3.454 -13.877 3.799 1136 1HB ASN 35 1HB ASN 35 -3.380 -15.322 1.177 1137 2HB ASN 35 2HB ASN 35 -4.420 -15.924 2.461 1138 1HD2 ASN 35 1HD2 ASN 35 -3.760 -12.499 2.036 1139 2HD2 ASN 35 2HD2 ASN 35 -5.346 -12.080 1.498 1140 H ASP 36 H ASP 36 -0.812 -15.819 2.655 1141 HA ASP 36 HA ASP 36 -1.214 -18.140 4.175 1142 1HB ASP 36 1HB ASP 36 1.428 -16.961 3.307 1143 2HB ASP 36 2HB ASP 36 1.112 -18.642 3.727 1144 H ASN 37 H ASN 37 -0.300 -15.007 5.177 1145 HA ASN 37 HA ASN 37 0.823 -16.064 7.686 1146 1HB ASN 37 1HB ASN 37 1.836 -13.902 8.064 1147 2HB ASN 37 2HB ASN 37 2.256 -14.469 6.450 1148 1HD2 ASN 37 1HD2 ASN 37 2.207 -12.953 4.986 1149 2HD2 ASN 37 2HD2 ASN 37 1.154 -11.583 4.960 1150 H GLY 38 H GLY 38 -1.910 -14.390 6.389 1151 1HA GLY 38 1HA GLY 38 -3.827 -14.650 8.045 1152 2HA GLY 38 2HA GLY 38 -2.795 -13.743 9.135 1153 H VAL 39 H VAL 39 -2.587 -12.677 5.884 1154 HA VAL 39 HA VAL 39 -4.034 -10.256 6.609 1155 HB VAL 39 HB VAL 39 -2.547 -10.837 4.042 1156 1HG1 VAL 39 1HG1 VAL 39 -3.751 -8.372 5.247 1157 2HG1 VAL 39 2HG1 VAL 39 -3.920 -9.011 3.612 1158 3HG1 VAL 39 3HG1 VAL 39 -2.405 -8.260 4.112 1159 1HG2 VAL 39 1HG2 VAL 39 -0.954 -9.122 5.403 1160 2HG2 VAL 39 2HG2 VAL 39 -0.744 -10.873 5.391 1161 3HG2 VAL 39 3HG2 VAL 39 -1.597 -10.098 6.725 1162 H ASP 40 H ASP 40 -5.852 -9.479 5.559 1163 HA ASP 40 HA ASP 40 -6.984 -10.890 3.315 1164 1HB ASP 40 1HB ASP 40 -8.269 -11.016 6.045 1165 2HB ASP 40 2HB ASP 40 -9.156 -11.319 4.554 1166 H GLY 41 H GLY 41 -9.401 -9.987 3.070 1167 1HA GLY 41 1HA GLY 41 -10.744 -7.950 3.526 1168 2HA GLY 41 2HA GLY 41 -9.229 -7.060 3.477 1169 H GLU 42 H GLU 42 -9.803 -5.692 1.810 1170 HA GLU 42 HA GLU 42 -9.726 -6.892 -0.841 1171 1HB GLU 42 1HB GLU 42 -11.931 -4.992 -0.020 1172 2HB GLU 42 2HB GLU 42 -11.678 -5.650 -1.630 1173 1HG GLU 42 1HG GLU 42 -11.979 -7.940 -0.583 1174 2HG GLU 42 2HG GLU 42 -12.560 -7.090 0.848 1175 H TRP 43 H TRP 43 -9.206 -5.384 -2.520 1176 HA TRP 43 HA TRP 43 -7.379 -3.365 -1.659 1177 1HB TRP 43 1HB TRP 43 -8.354 -4.196 -4.391 1178 2HB TRP 43 2HB TRP 43 -7.160 -2.927 -4.139 1179 HD1 TRP 43 HD1 TRP 43 -7.547 -6.686 -4.212 1180 HE1 TRP 43 HE1 TRP 43 -5.238 -7.786 -3.927 1181 HE3 TRP 43 HE3 TRP 43 -4.822 -2.546 -2.952 1182 HZ2 TRP 43 HZ2 TRP 43 -2.611 -7.004 -3.256 1183 HZ3 TRP 43 HZ3 TRP 43 -2.417 -2.809 -2.504 1184 HH2 TRP 43 HH2 TRP 43 -1.336 -4.993 -2.652 1185 H THR 44 H THR 44 -7.861 -1.420 -1.060 1186 HA THR 44 HA THR 44 -10.269 -0.139 -2.157 1187 HB THR 44 HB THR 44 -10.295 1.241 -0.134 1188 HG1 THR 44 HG1 THR 44 -8.572 1.386 1.020 1189 1HG2 THR 44 1HG2 THR 44 -11.081 -0.308 1.395 1190 2HG2 THR 44 2HG2 THR 44 -9.955 -1.556 0.860 1191 3HG2 THR 44 3HG2 THR 44 -11.323 -1.107 -0.159 1192 H TYR 45 H TYR 45 -10.141 1.875 -2.992 1193 HA TYR 45 HA TYR 45 -7.637 2.708 -4.059 1194 1HB TYR 45 1HB TYR 45 -10.417 3.833 -4.110 1195 2HB TYR 45 2HB TYR 45 -9.065 4.794 -4.702 1196 HD1 TYR 45 HD1 TYR 45 -11.345 2.092 -5.418 1197 HD2 TYR 45 HD2 TYR 45 -7.690 3.914 -6.608 1198 HE1 TYR 45 HE1 TYR 45 -11.487 0.944 -7.589 1199 HE2 TYR 45 HE2 TYR 45 -7.822 2.773 -8.782 1200 HH TYR 45 HH TYR 45 -8.903 0.712 -9.717 1201 H ASP 46 H ASP 46 -6.384 4.498 -3.576 1202 HA ASP 46 HA ASP 46 -6.323 5.270 -0.829 1203 1HB ASP 46 1HB ASP 46 -4.740 6.026 -3.270 1204 2HB ASP 46 2HB ASP 46 -4.531 6.914 -1.765 1205 H ASP 47 H ASP 47 -6.346 7.507 -0.066 1206 HA ASP 47 HA ASP 47 -8.683 8.880 -0.874 1207 1HB ASP 47 1HB ASP 47 -6.402 9.619 0.956 1208 2HB ASP 47 2HB ASP 47 -7.747 10.715 0.653 1209 H ALA 48 H ALA 48 -8.993 10.325 -2.437 1210 HA ALA 48 HA ALA 48 -7.106 10.957 -4.362 1211 1HB ALA 48 1HB ALA 48 -9.374 11.162 -4.941 1212 2HB ALA 48 2HB ALA 48 -8.729 12.802 -4.992 1213 3HB ALA 48 3HB ALA 48 -9.698 12.278 -3.615 1214 H THR 49 H THR 49 -5.833 12.703 -4.814 1215 HA THR 49 HA THR 49 -5.625 14.847 -2.832 1216 HB THR 49 HB THR 49 -3.171 13.451 -3.894 1217 HG1 THR 49 HG1 THR 49 -3.541 11.940 -2.512 1218 1HG2 THR 49 1HG2 THR 49 -2.157 14.447 -1.830 1219 2HG2 THR 49 2HG2 THR 49 -3.634 15.397 -1.656 1220 3HG2 THR 49 3HG2 THR 49 -2.619 15.598 -3.085 1221 H LYS 50 H LYS 50 -4.509 16.753 -3.642 1222 HA LYS 50 HA LYS 50 -4.431 16.861 -6.587 1223 1HB LYS 50 1HB LYS 50 -5.769 18.660 -4.622 1224 2HB LYS 50 2HB LYS 50 -5.078 19.384 -6.067 1225 1HG LYS 50 1HG LYS 50 -6.417 17.789 -7.428 1226 2HG LYS 50 2HG LYS 50 -7.194 17.248 -5.939 1227 1HD LYS 50 1HD LYS 50 -7.153 20.153 -6.673 1228 2HD LYS 50 2HD LYS 50 -8.354 19.065 -7.373 1229 1HE LYS 50 1HE LYS 50 -8.665 18.371 -4.837 1230 2HE LYS 50 2HE LYS 50 -8.027 19.993 -4.566 1231 1HZ LYS 50 1HZ LYS 50 -10.425 20.029 -4.667 1232 2HZ LYS 50 2HZ LYS 50 -10.413 19.308 -6.197 1233 3HZ LYS 50 3HZ LYS 50 -9.788 20.866 -5.992 1234 H THR 51 H THR 51 -2.502 17.337 -7.338 1235 HA THR 51 HA THR 51 -0.611 18.804 -5.633 1236 HB THR 51 HB THR 51 -0.173 16.908 -7.950 1237 HG1 THR 51 HG1 THR 51 0.719 15.614 -6.392 1238 1HG2 THR 51 1HG2 THR 51 1.938 18.361 -6.368 1239 2HG2 THR 51 2HG2 THR 51 1.536 18.655 -8.060 1240 3HG2 THR 51 3HG2 THR 51 2.212 17.102 -7.572 1241 H PHE 52 H PHE 52 0.181 20.742 -6.252 1242 HA PHE 52 HA PHE 52 -1.033 22.054 -8.511 1243 1HB PHE 52 1HB PHE 52 -0.645 23.193 -6.323 1244 2HB PHE 52 2HB PHE 52 1.085 23.107 -6.628 1245 HD1 PHE 52 HD1 PHE 52 -2.089 24.580 -7.789 1246 HD2 PHE 52 HD2 PHE 52 2.158 24.649 -8.061 1247 HE1 PHE 52 HE1 PHE 52 -2.206 26.709 -9.018 1248 HE2 PHE 52 HE2 PHE 52 2.048 26.778 -9.290 1249 HZ PHE 52 HZ PHE 52 -0.136 27.811 -9.770 1250 H THR 53 H THR 53 -0.250 21.975 -10.509 1251 HA THR 53 HA THR 53 2.533 21.218 -10.942 1252 HB THR 53 HB THR 53 0.252 21.593 -12.898 1253 HG1 THR 53 HG1 THR 53 1.451 19.286 -11.776 1254 1HG2 THR 53 1HG2 THR 53 3.059 21.329 -13.395 1255 2HG2 THR 53 2HG2 THR 53 1.730 21.522 -14.537 1256 3HG2 THR 53 3HG2 THR 53 2.196 19.912 -13.991 1257 H VAL 54 H VAL 54 4.072 22.673 -11.321 1258 HA VAL 54 HA VAL 54 3.472 25.454 -11.488 1259 HB VAL 54 HB VAL 54 6.155 24.281 -12.173 1260 1HG1 VAL 54 1HG1 VAL 54 5.986 26.638 -12.520 1261 2HG1 VAL 54 2HG1 VAL 54 6.930 26.372 -11.054 1262 3HG1 VAL 54 3HG1 VAL 54 5.242 26.871 -10.937 1263 1HG2 VAL 54 1HG2 VAL 54 6.661 24.507 -9.704 1264 2HG2 VAL 54 2HG2 VAL 54 5.630 23.149 -10.158 1265 3HG2 VAL 54 3HG2 VAL 54 4.918 24.598 -9.445 1266 H THR 55 H THR 55 4.044 26.896 -13.199 1267 HA THR 55 HA THR 55 4.461 25.755 -15.840 1268 HB THR 55 HB THR 55 2.081 27.517 -15.243 1269 HG1 THR 55 HG1 THR 55 2.190 24.767 -15.924 1270 1HG2 THR 55 1HG2 THR 55 1.631 27.659 -17.427 1271 2HG2 THR 55 2HG2 THR 55 2.193 26.021 -17.756 1272 3HG2 THR 55 3HG2 THR 55 3.354 27.341 -17.621 1273 H GLU 56 H GLU 56 3.368 28.862 -14.522 1274 HA GLU 56 HA GLU 56 4.186 30.975 -14.702 1275 1HB GLU 56 1HB GLU 56 6.891 29.697 -15.088 1276 2HB GLU 56 2HB GLU 56 6.540 31.293 -14.439 1277 1HG GLU 56 1HG GLU 56 5.795 30.444 -12.410 1278 2HG GLU 56 2HG GLU 56 5.540 28.829 -13.071 1279 1H MET 1 1H MET 1 1.216 2.462 -12.128 1280 2H MET 1 2H MET 1 -0.024 1.673 -13.011 1281 3H MET 1 3H MET 1 1.124 0.752 -12.130 1282 HA MET 1 HA MET 1 -0.870 2.601 -11.003 1283 1HB MET 1 1HB MET 1 -1.646 0.403 -12.028 1284 2HB MET 1 2HB MET 1 -0.703 -0.406 -10.784 1285 1HG MET 1 1HG MET 1 -2.995 -0.312 -10.103 1286 2HG MET 1 2HG MET 1 -2.040 0.746 -9.064 1287 1HE MET 1 1HE MET 1 -2.354 2.765 -8.542 1288 2HE MET 1 2HE MET 1 -3.736 3.790 -8.931 1289 3HE MET 1 3HE MET 1 -2.253 3.910 -9.880 1290 H GLN 2 H GLN 2 -0.372 3.321 -9.042 1291 HA GLN 2 HA GLN 2 1.997 2.311 -7.700 1292 1HB GLN 2 1HB GLN 2 1.341 4.787 -7.947 1293 2HB GLN 2 2HB GLN 2 0.170 4.473 -6.672 1294 1HG GLN 2 1HG GLN 2 1.771 4.227 -5.065 1295 2HG GLN 2 2HG GLN 2 2.997 3.689 -6.213 1296 1HE2 GLN 2 1HE2 GLN 2 3.737 5.373 -7.775 1297 2HE2 GLN 2 2HE2 GLN 2 3.946 6.978 -7.171 1298 H TYR 3 H TYR 3 1.946 0.804 -6.168 1299 HA TYR 3 HA TYR 3 -0.630 0.251 -4.864 1300 1HB TYR 3 1HB TYR 3 1.646 -1.519 -5.670 1301 2HB TYR 3 2HB TYR 3 0.561 -2.013 -4.374 1302 HD1 TYR 3 HD1 TYR 3 1.077 -1.965 -7.885 1303 HD2 TYR 3 HD2 TYR 3 -1.974 -1.988 -4.919 1304 HE1 TYR 3 HE1 TYR 3 -0.530 -2.795 -9.552 1305 HE2 TYR 3 HE2 TYR 3 -3.588 -2.820 -6.577 1306 HH TYR 3 HH TYR 3 -3.886 -2.843 -9.006 1307 H LYS 4 H LYS 4 -0.850 0.423 -2.794 1308 HA LYS 4 HA LYS 4 1.514 1.010 -1.133 1309 1HB LYS 4 1HB LYS 4 -1.337 1.896 -1.029 1310 2HB LYS 4 2HB LYS 4 -0.432 1.810 0.475 1311 1HG LYS 4 1HG LYS 4 1.339 3.204 -0.816 1312 2HG LYS 4 2HG LYS 4 -0.011 3.582 -1.888 1313 1HD LYS 4 1HD LYS 4 -1.264 4.163 0.309 1314 2HD LYS 4 2HD LYS 4 0.354 4.249 1.009 1315 1HE LYS 4 1HE LYS 4 0.872 5.784 -1.015 1316 2HE LYS 4 2HE LYS 4 -0.880 5.946 -1.128 1317 1HZ LYS 4 1HZ LYS 4 0.740 6.562 1.285 1318 2HZ LYS 4 2HZ LYS 4 -0.932 6.767 1.129 1319 3HZ LYS 4 3HZ LYS 4 0.125 7.709 0.204 1320 H VAL 5 H VAL 5 2.137 -0.411 0.362 1321 HA VAL 5 HA VAL 5 0.167 -2.243 1.522 1322 HB VAL 5 HB VAL 5 2.794 -3.245 0.422 1323 1HG1 VAL 5 1HG1 VAL 5 1.674 -4.384 2.421 1324 2HG1 VAL 5 2HG1 VAL 5 2.100 -5.393 1.040 1325 3HG1 VAL 5 3HG1 VAL 5 0.428 -4.882 1.277 1326 1HG2 VAL 5 1HG2 VAL 5 0.016 -3.553 -0.715 1327 2HG2 VAL 5 2HG2 VAL 5 1.469 -4.348 -1.319 1328 3HG2 VAL 5 3HG2 VAL 5 1.322 -2.594 -1.410 1329 H ILE 6 H ILE 6 0.392 -2.423 3.649 1330 HA ILE 6 HA ILE 6 2.747 -1.262 4.924 1331 HB ILE 6 HB ILE 6 0.261 -2.286 6.288 1332 1HG1 ILE 6 1HG1 ILE 6 0.828 0.538 5.360 1333 2HG1 ILE 6 2HG1 ILE 6 -0.296 -0.566 4.575 1334 1HG2 ILE 6 1HG2 ILE 6 1.050 -0.426 7.918 1335 2HG2 ILE 6 2HG2 ILE 6 2.602 -0.622 7.105 1336 3HG2 ILE 6 3HG2 ILE 6 1.858 -1.992 7.927 1337 1HD1 ILE 6 1HD1 ILE 6 -0.531 0.401 7.413 1338 2HD1 ILE 6 2HD1 ILE 6 -1.688 -0.607 6.542 1339 3HD1 ILE 6 3HD1 ILE 6 -1.412 1.060 6.034 1340 H LEU 7 H LEU 7 4.336 -2.458 5.780 1341 HA LEU 7 HA LEU 7 3.745 -5.194 6.650 1342 1HB LEU 7 1HB LEU 7 5.651 -4.343 4.558 1343 2HB LEU 7 2HB LEU 7 6.272 -5.502 5.717 1344 HG LEU 7 HG LEU 7 3.948 -6.708 5.104 1345 1HD1 LEU 7 1HD1 LEU 7 3.127 -6.288 3.039 1346 2HD1 LEU 7 2HD1 LEU 7 4.694 -5.801 2.391 1347 3HD1 LEU 7 3HD1 LEU 7 3.763 -4.679 3.385 1348 1HD2 LEU 7 1HD2 LEU 7 6.088 -7.158 3.114 1349 2HD2 LEU 7 2HD2 LEU 7 5.253 -8.304 4.161 1350 3HD2 LEU 7 3HD2 LEU 7 6.548 -7.299 4.810 1351 H ASN 8 H ASN 8 4.190 -5.251 8.760 1352 HA ASN 8 HA ASN 8 6.756 -4.336 9.726 1353 1HB ASN 8 1HB ASN 8 5.132 -2.346 9.794 1354 2HB ASN 8 2HB ASN 8 4.302 -3.221 11.074 1355 1HD2 ASN 8 1HD2 ASN 8 5.688 -0.671 11.174 1356 2HD2 ASN 8 2HD2 ASN 8 6.919 -0.836 12.374 1357 H GLY 9 H GLY 9 7.402 -6.122 10.754 1358 1HA GLY 9 1HA GLY 9 5.476 -7.843 12.082 1359 2HA GLY 9 2HA GLY 9 7.186 -8.170 11.859 1360 H LYS 10 H LYS 10 7.890 -5.494 12.987 1361 HA LYS 10 HA LYS 10 8.487 -4.608 14.995 1362 1HB LYS 10 1HB LYS 10 5.792 -4.892 15.141 1363 2HB LYS 10 2HB LYS 10 6.289 -5.872 16.514 1364 1HG LYS 10 1HG LYS 10 6.316 -3.974 17.672 1365 2HG LYS 10 2HG LYS 10 7.804 -3.595 16.803 1366 1HD LYS 10 1HD LYS 10 6.800 -2.041 15.500 1367 2HD LYS 10 2HD LYS 10 5.296 -2.955 15.390 1368 1HE LYS 10 1HE LYS 10 4.755 -1.022 16.613 1369 2HE LYS 10 2HE LYS 10 4.897 -2.306 17.812 1370 1HZ LYS 10 1HZ LYS 10 6.675 -1.341 18.753 1371 2HZ LYS 10 2HZ LYS 10 6.108 0.067 18.006 1372 3HZ LYS 10 3HZ LYS 10 7.339 -0.839 17.279 1373 H THR 11 H THR 11 9.011 -5.216 17.343 1374 HA THR 11 HA THR 11 10.284 -6.479 18.738 1375 HB THR 11 HB THR 11 9.482 -8.643 19.295 1376 HG1 THR 11 HG1 THR 11 8.929 -9.988 17.809 1377 1HG2 THR 11 1HG2 THR 11 6.931 -7.590 18.216 1378 2HG2 THR 11 2HG2 THR 11 7.808 -6.616 19.397 1379 3HG2 THR 11 3HG2 THR 11 7.306 -8.257 19.806 1380 H LEU 12 H LEU 12 11.771 -8.468 18.860 1381 HA LEU 12 HA LEU 12 13.471 -8.379 16.538 1382 1HB LEU 12 1HB LEU 12 13.690 -9.736 19.214 1383 2HB LEU 12 2HB LEU 12 14.881 -9.970 17.948 1384 HG LEU 12 HG LEU 12 15.137 -7.420 17.951 1385 1HD1 LEU 12 1HD1 LEU 12 13.582 -7.832 20.490 1386 2HD1 LEU 12 2HD1 LEU 12 13.225 -6.733 19.158 1387 3HD1 LEU 12 3HD1 LEU 12 14.610 -6.427 20.208 1388 1HD2 LEU 12 1HD2 LEU 12 16.777 -9.039 18.866 1389 2HD2 LEU 12 2HD2 LEU 12 15.975 -8.914 20.432 1390 3HD2 LEU 12 3HD2 LEU 12 16.758 -7.500 19.727 1391 H LYS 13 H LYS 13 14.433 -10.411 15.661 1392 HA LYS 13 HA LYS 13 12.301 -12.169 14.830 1393 1HB LYS 13 1HB LYS 13 15.231 -12.355 14.120 1394 2HB LYS 13 2HB LYS 13 13.874 -13.049 13.244 1395 1HG LYS 13 1HG LYS 13 13.083 -10.805 12.687 1396 2HG LYS 13 2HG LYS 13 14.447 -10.109 13.566 1397 1HD LYS 13 1HD LYS 13 15.930 -10.613 11.928 1398 2HD LYS 13 2HD LYS 13 15.106 -12.113 11.496 1399 1HE LYS 13 1HE LYS 13 13.258 -10.538 10.585 1400 2HE LYS 13 2HE LYS 13 14.523 -9.311 10.621 1401 1HZ LYS 13 1HZ LYS 13 14.278 -11.678 8.922 1402 2HZ LYS 13 2HZ LYS 13 15.835 -11.188 9.362 1403 3HZ LYS 13 3HZ LYS 13 14.817 -10.121 8.534 1404 H GLY 14 H GLY 14 11.761 -13.982 15.831 1405 1HA GLY 14 1HA GLY 14 13.851 -15.619 17.067 1406 2HA GLY 14 2HA GLY 14 12.525 -15.085 18.088 1407 H GLU 15 H GLU 15 10.288 -15.484 16.906 1408 HA GLU 15 HA GLU 15 10.231 -17.951 15.392 1409 1HB GLU 15 1HB GLU 15 8.790 -19.128 17.003 1410 2HB GLU 15 2HB GLU 15 10.387 -18.808 17.664 1411 1HG GLU 15 1HG GLU 15 9.441 -16.836 18.840 1412 2HG GLU 15 2HG GLU 15 7.844 -17.320 18.271 1413 H THR 16 H THR 16 8.532 -18.008 14.052 1414 HA THR 16 HA THR 16 6.670 -15.788 14.114 1415 HB THR 16 HB THR 16 7.603 -16.323 11.973 1416 HG1 THR 16 HG1 THR 16 5.737 -15.968 11.125 1417 1HG2 THR 16 1HG2 THR 16 6.661 -19.118 12.501 1418 2HG2 THR 16 2HG2 THR 16 8.283 -18.560 12.096 1419 3HG2 THR 16 3HG2 THR 16 7.009 -18.525 10.878 1420 H THR 17 H THR 17 4.379 -16.035 14.003 1421 HA THR 17 HA THR 17 3.305 -18.620 14.853 1422 HB THR 17 HB THR 17 2.573 -16.046 16.255 1423 HG1 THR 17 HG1 THR 17 4.682 -16.567 16.812 1424 1HG2 THR 17 1HG2 THR 17 2.021 -18.915 16.971 1425 2HG2 THR 17 2HG2 THR 17 0.844 -17.744 16.379 1426 3HG2 THR 17 3HG2 THR 17 1.610 -17.506 17.949 1427 H THR 18 H THR 18 2.296 -15.249 14.256 1428 HA THR 18 HA THR 18 0.320 -16.270 12.333 1429 HB THR 18 HB THR 18 -1.179 -14.359 13.153 1430 HG1 THR 18 HG1 THR 18 -0.780 -13.586 15.183 1431 1HG2 THR 18 1HG2 THR 18 -0.694 -16.923 14.516 1432 2HG2 THR 18 2HG2 THR 18 -2.173 -16.263 13.810 1433 3HG2 THR 18 3HG2 THR 18 -1.639 -15.726 15.405 1434 H GLU 19 H GLU 19 1.192 -13.035 13.524 1435 HA GLU 19 HA GLU 19 1.220 -11.938 10.892 1436 1HB GLU 19 1HB GLU 19 2.135 -9.904 12.064 1437 2HB GLU 19 2HB GLU 19 0.594 -10.490 12.678 1438 1HG GLU 19 1HG GLU 19 2.740 -11.735 14.107 1439 2HG GLU 19 2HG GLU 19 2.952 -9.986 14.112 1440 H ALA 20 H ALA 20 2.823 -11.945 9.459 1441 HA ALA 20 HA ALA 20 5.594 -12.073 10.408 1442 1HB ALA 20 1HB ALA 20 6.147 -13.982 9.317 1443 2HB ALA 20 2HB ALA 20 4.969 -13.721 8.031 1444 3HB ALA 20 3HB ALA 20 4.443 -14.343 9.595 1445 H VAL 21 H VAL 21 4.349 -9.783 9.534 1446 HA VAL 21 HA VAL 21 5.198 -9.423 6.751 1447 HB VAL 21 HB VAL 21 4.086 -7.138 7.044 1448 1HG1 VAL 21 1HG1 VAL 21 2.009 -9.215 7.409 1449 2HG1 VAL 21 2HG1 VAL 21 3.158 -9.450 6.091 1450 3HG1 VAL 21 3HG1 VAL 21 2.178 -7.984 6.157 1451 1HG2 VAL 21 1HG2 VAL 21 2.754 -6.677 8.858 1452 2HG2 VAL 21 2HG2 VAL 21 4.071 -7.554 9.633 1453 3HG2 VAL 21 3HG2 VAL 21 2.551 -8.375 9.281 1454 H ASP 22 H ASP 22 7.436 -9.368 7.096 1455 HA ASP 22 HA ASP 22 8.488 -7.153 8.712 1456 1HB ASP 22 1HB ASP 22 9.372 -9.442 9.112 1457 2HB ASP 22 2HB ASP 22 9.959 -9.475 7.451 1458 H ALA 23 H ALA 23 9.785 -5.605 7.908 1459 HA ALA 23 HA ALA 23 9.366 -4.547 5.423 1460 1HB ALA 23 1HB ALA 23 12.050 -4.014 6.417 1461 2HB ALA 23 2HB ALA 23 10.805 -3.891 7.661 1462 3HB ALA 23 3HB ALA 23 10.684 -2.919 6.192 1463 H ALA 24 H ALA 24 12.012 -6.708 6.390 1464 HA ALA 24 HA ALA 24 13.338 -6.714 3.887 1465 1HB ALA 24 1HB ALA 24 14.410 -7.360 6.014 1466 2HB ALA 24 2HB ALA 24 14.604 -8.579 4.756 1467 3HB ALA 24 3HB ALA 24 13.424 -8.822 6.041 1468 H THR 25 H THR 25 10.644 -8.517 5.172 1469 HA THR 25 HA THR 25 10.674 -10.708 3.412 1470 HB THR 25 HB THR 25 8.344 -9.344 4.780 1471 HG1 THR 25 HG1 THR 25 9.816 -11.651 5.514 1472 1HG2 THR 25 1HG2 THR 25 7.085 -10.661 3.487 1473 2HG2 THR 25 2HG2 THR 25 7.595 -11.913 4.622 1474 3HG2 THR 25 3HG2 THR 25 8.430 -11.731 3.077 1475 H PHE 26 H PHE 26 9.257 -7.497 3.152 1476 HA PHE 26 HA PHE 26 7.898 -7.954 0.701 1477 1HB PHE 26 1HB PHE 26 7.551 -6.026 2.378 1478 2HB PHE 26 2HB PHE 26 8.914 -5.258 1.567 1479 HD1 PHE 26 HD1 PHE 26 5.607 -6.807 0.856 1480 HD2 PHE 26 HD2 PHE 26 8.544 -3.955 -0.305 1481 HE1 PHE 26 HE1 PHE 26 4.090 -5.961 -0.886 1482 HE2 PHE 26 HE2 PHE 26 7.031 -3.101 -2.047 1483 HZ PHE 26 HZ PHE 26 4.801 -4.104 -2.340 1484 H GLU 27 H GLU 27 11.027 -6.468 1.470 1485 HA GLU 27 HA GLU 27 11.791 -5.765 -1.105 1486 1HB GLU 27 1HB GLU 27 13.516 -6.641 1.213 1487 2HB GLU 27 2HB GLU 27 14.118 -5.854 -0.239 1488 1HG GLU 27 1HG GLU 27 12.633 -3.919 0.288 1489 2HG GLU 27 2HG GLU 27 12.261 -4.700 1.824 1490 H LYS 28 H LYS 28 12.605 -8.771 0.645 1491 HA LYS 28 HA LYS 28 14.005 -9.921 -1.512 1492 1HB LYS 28 1HB LYS 28 14.127 -10.548 0.950 1493 2HB LYS 28 2HB LYS 28 12.654 -11.473 0.685 1494 1HG LYS 28 1HG LYS 28 13.858 -12.732 -1.102 1495 2HG LYS 28 2HG LYS 28 15.335 -11.900 -0.611 1496 1HD LYS 28 1HD LYS 28 13.651 -13.461 1.330 1497 2HD LYS 28 2HD LYS 28 14.926 -14.215 0.372 1498 1HE LYS 28 1HE LYS 28 15.357 -11.830 2.161 1499 2HE LYS 28 2HE LYS 28 15.617 -13.498 2.672 1500 1HZ LYS 28 1HZ LYS 28 17.123 -13.587 0.592 1501 2HZ LYS 28 2HZ LYS 28 17.704 -12.852 1.999 1502 3HZ LYS 28 3HZ LYS 28 17.136 -11.900 0.723 1503 H VAL 29 H VAL 29 10.661 -10.527 -0.356 1504 HA VAL 29 HA VAL 29 10.059 -12.476 -2.290 1505 HB VAL 29 HB VAL 29 8.143 -10.599 -0.897 1506 1HG1 VAL 29 1HG1 VAL 29 7.677 -13.240 -2.282 1507 2HG1 VAL 29 2HG1 VAL 29 7.088 -11.659 -2.799 1508 3HG1 VAL 29 3HG1 VAL 29 6.481 -12.385 -1.309 1509 1HG2 VAL 29 1HG2 VAL 29 8.420 -13.376 0.029 1510 2HG2 VAL 29 2HG2 VAL 29 8.226 -11.884 0.949 1511 3HG2 VAL 29 3HG2 VAL 29 9.813 -12.339 0.332 1512 H VAL 30 H VAL 30 9.601 -8.966 -2.297 1513 HA VAL 30 HA VAL 30 8.210 -8.937 -4.781 1514 HB VAL 30 HB VAL 30 9.609 -6.664 -3.359 1515 1HG1 VAL 30 1HG1 VAL 30 8.223 -5.188 -4.720 1516 2HG1 VAL 30 2HG1 VAL 30 7.556 -6.579 -5.571 1517 3HG1 VAL 30 3HG1 VAL 30 9.266 -6.181 -5.738 1518 1HG2 VAL 30 1HG2 VAL 30 7.649 -7.965 -2.256 1519 2HG2 VAL 30 2HG2 VAL 30 6.653 -7.109 -3.434 1520 3HG2 VAL 30 3HG2 VAL 30 7.620 -6.202 -2.270 1521 H LYS 31 H LYS 31 11.633 -8.288 -3.917 1522 HA LYS 31 HA LYS 31 12.429 -7.564 -6.509 1523 1HB LYS 31 1HB LYS 31 13.688 -7.305 -4.284 1524 2HB LYS 31 2HB LYS 31 14.184 -8.975 -4.508 1525 1HG LYS 31 1HG LYS 31 15.256 -8.386 -6.616 1526 2HG LYS 31 2HG LYS 31 14.741 -6.710 -6.412 1527 1HD LYS 31 1HD LYS 31 16.209 -6.335 -4.662 1528 2HD LYS 31 2HD LYS 31 16.338 -8.050 -4.269 1529 1HE LYS 31 1HE LYS 31 17.347 -8.083 -6.753 1530 2HE LYS 31 2HE LYS 31 17.789 -6.444 -6.282 1531 1HZ LYS 31 1HZ LYS 31 19.512 -8.096 -5.760 1532 2HZ LYS 31 2HZ LYS 31 18.440 -8.878 -4.711 1533 3HZ LYS 31 3HZ LYS 31 18.947 -7.299 -4.378 1534 H GLN 32 H GLN 32 12.434 -10.680 -4.820 1535 HA GLN 32 HA GLN 32 13.611 -12.171 -6.897 1536 1HB GLN 32 1HB GLN 32 13.334 -12.879 -4.487 1537 2HB GLN 32 2HB GLN 32 11.651 -13.225 -4.860 1538 1HG GLN 32 1HG GLN 32 12.883 -15.262 -4.961 1539 2HG GLN 32 2HG GLN 32 12.414 -14.814 -6.600 1540 1HE2 GLN 32 1HE2 GLN 32 13.993 -15.751 -7.757 1541 2HE2 GLN 32 2HE2 GLN 32 15.676 -15.392 -7.596 1542 H PHE 33 H PHE 33 10.173 -11.598 -6.075 1543 HA PHE 33 HA PHE 33 9.167 -13.204 -8.164 1544 1HB PHE 33 1HB PHE 33 7.661 -12.921 -6.447 1545 2HB PHE 33 2HB PHE 33 8.062 -11.228 -6.226 1546 HD1 PHE 33 HD1 PHE 33 6.648 -13.288 -9.030 1547 HD2 PHE 33 HD2 PHE 33 6.324 -9.848 -6.546 1548 HE1 PHE 33 HE1 PHE 33 4.591 -12.625 -10.216 1549 HE2 PHE 33 HE2 PHE 33 4.278 -9.173 -7.732 1550 HZ PHE 33 HZ PHE 33 3.411 -10.556 -9.571 1551 H PHE 34 H PHE 34 9.684 -9.690 -7.917 1552 HA PHE 34 HA PHE 34 8.667 -9.246 -10.548 1553 1HB PHE 34 1HB PHE 34 9.927 -7.503 -8.478 1554 2HB PHE 34 2HB PHE 34 9.768 -6.911 -10.134 1555 HD1 PHE 34 HD1 PHE 34 7.894 -8.149 -7.204 1556 HD2 PHE 34 HD2 PHE 34 7.665 -6.294 -11.027 1557 HE1 PHE 34 HE1 PHE 34 5.518 -7.644 -6.813 1558 HE2 PHE 34 HE2 PHE 34 5.290 -5.781 -10.640 1559 HZ PHE 34 HZ PHE 34 4.212 -6.466 -8.535 1560 H ASN 35 H ASN 35 11.898 -9.761 -9.250 1561 HA ASN 35 HA ASN 35 13.388 -8.838 -11.428 1562 1HB ASN 35 1HB ASN 35 13.885 -10.926 -9.340 1563 2HB ASN 35 2HB ASN 35 15.003 -10.780 -10.691 1564 1HD2 ASN 35 1HD2 ASN 35 13.333 -8.002 -9.331 1565 2HD2 ASN 35 2HD2 ASN 35 14.734 -7.286 -8.619 1566 H ASP 36 H ASP 36 11.538 -11.749 -11.021 1567 HA ASP 36 HA ASP 36 12.575 -13.286 -13.126 1568 1HB ASP 36 1HB ASP 36 9.743 -13.290 -12.071 1569 2HB ASP 36 2HB ASP 36 10.533 -14.589 -12.962 1570 H ASN 37 H ASN 37 10.680 -10.447 -13.222 1571 HA ASN 37 HA ASN 37 9.826 -11.028 -15.980 1572 1HB ASN 37 1HB ASN 37 8.175 -9.275 -15.766 1573 2HB ASN 37 2HB ASN 37 8.029 -10.382 -14.406 1574 1HD2 ASN 37 1HD2 ASN 37 7.669 -9.412 -12.568 1575 2HD2 ASN 37 2HD2 ASN 37 8.247 -7.853 -12.099 1576 H GLY 38 H GLY 38 11.962 -9.036 -14.127 1577 1HA GLY 38 1HA GLY 38 13.785 -8.202 -15.693 1578 2HA GLY 38 2HA GLY 38 12.475 -7.389 -16.526 1579 H VAL 39 H VAL 39 12.093 -7.420 -13.120 1580 HA VAL 39 HA VAL 39 12.680 -4.569 -13.050 1581 HB VAL 39 HB VAL 39 11.567 -6.290 -10.831 1582 1HG1 VAL 39 1HG1 VAL 39 11.890 -3.339 -11.227 1583 2HG1 VAL 39 2HG1 VAL 39 12.314 -4.330 -9.833 1584 3HG1 VAL 39 3HG1 VAL 39 10.624 -3.974 -10.178 1585 1HG2 VAL 39 1HG2 VAL 39 9.458 -4.843 -11.726 1586 2HG2 VAL 39 2HG2 VAL 39 9.803 -6.501 -12.216 1587 3HG2 VAL 39 3HG2 VAL 39 10.312 -5.156 -13.236 1588 H ASP 40 H ASP 40 14.212 -3.601 -11.737 1589 HA ASP 40 HA ASP 40 15.827 -5.175 -9.940 1590 1HB ASP 40 1HB ASP 40 16.958 -4.107 -12.528 1591 2HB ASP 40 2HB ASP 40 17.966 -4.524 -11.144 1592 H GLY 41 H GLY 41 17.850 -3.676 -9.325 1593 1HA GLY 41 1HA GLY 41 18.469 -1.282 -9.110 1594 2HA GLY 41 2HA GLY 41 16.758 -0.961 -8.882 1595 H GLU 42 H GLU 42 16.951 -0.023 -6.868 1596 HA GLU 42 HA GLU 42 17.370 -1.898 -4.679 1597 1HB GLU 42 1HB GLU 42 18.836 0.742 -4.811 1598 2HB GLU 42 2HB GLU 42 18.872 -0.396 -3.472 1599 1HG GLU 42 1HG GLU 42 19.820 -2.076 -5.117 1600 2HG GLU 42 2HG GLU 42 20.048 -0.712 -6.212 1601 H TRP 43 H TRP 43 16.484 -1.177 -2.664 1602 HA TRP 43 HA TRP 43 14.082 0.334 -2.997 1603 1HB TRP 43 1HB TRP 43 15.391 -0.900 -0.574 1604 2HB TRP 43 2HB TRP 43 13.851 -0.050 -0.509 1605 HD1 TRP 43 HD1 TRP 43 15.395 -3.354 -1.503 1606 HE1 TRP 43 HE1 TRP 43 13.533 -4.987 -2.203 1607 HE3 TRP 43 HE3 TRP 43 11.459 -0.091 -1.644 1608 HZ2 TRP 43 HZ2 TRP 43 10.765 -4.905 -2.744 1609 HZ3 TRP 43 HZ3 TRP 43 9.238 -0.951 -2.263 1610 HH2 TRP 43 HH2 TRP 43 8.899 -3.307 -2.803 1611 H THR 44 H THR 44 13.905 2.416 -2.985 1612 HA THR 44 HA THR 44 15.844 4.013 -1.456 1613 HB THR 44 HB THR 44 15.338 5.851 -2.997 1614 HG1 THR 44 HG1 THR 44 13.611 5.770 -4.151 1615 1HG2 THR 44 1HG2 THR 44 16.511 5.136 -4.855 1616 2HG2 THR 44 2HG2 THR 44 15.843 3.507 -4.775 1617 3HG2 THR 44 3HG2 THR 44 17.045 4.025 -3.594 1618 H TYR 45 H TYR 45 15.133 5.557 -0.081 1619 HA TYR 45 HA TYR 45 12.543 5.221 1.055 1620 1HB TYR 45 1HB TYR 45 14.835 7.086 1.572 1621 2HB TYR 45 2HB TYR 45 13.279 7.362 2.348 1622 HD1 TYR 45 HD1 TYR 45 16.313 5.410 2.357 1623 HD2 TYR 45 HD2 TYR 45 12.334 5.588 3.850 1624 HE1 TYR 45 HE1 TYR 45 16.901 3.780 4.101 1625 HE2 TYR 45 HE2 TYR 45 12.911 3.959 5.599 1626 HH TYR 45 HH TYR 45 14.619 2.150 5.939 1627 H ASP 46 H ASP 46 10.773 6.590 1.044 1628 HA ASP 46 HA ASP 46 10.354 8.066 -1.361 1629 1HB ASP 46 1HB ASP 46 8.723 7.556 1.112 1630 2HB ASP 46 2HB ASP 46 8.183 8.730 -0.084 1631 H ASP 47 H ASP 47 9.644 10.319 -1.445 1632 HA ASP 47 HA ASP 47 11.470 12.055 -0.159 1633 1HB ASP 47 1HB ASP 47 8.988 12.556 -1.801 1634 2HB ASP 47 2HB ASP 47 9.961 13.869 -1.144 1635 H ALA 48 H ALA 48 11.379 13.017 1.762 1636 HA ALA 48 HA ALA 48 9.477 12.440 3.691 1637 1HB ALA 48 1HB ALA 48 11.588 13.164 4.421 1638 2HB ALA 48 2HB ALA 48 10.467 14.435 4.906 1639 3HB ALA 48 3HB ALA 48 11.491 14.657 3.488 1640 H THR 49 H THR 49 7.744 13.496 4.566 1641 HA THR 49 HA THR 49 6.788 15.942 3.275 1642 HB THR 49 HB THR 49 4.942 13.609 3.771 1643 HG1 THR 49 HG1 THR 49 5.719 12.751 2.041 1644 1HG2 THR 49 1HG2 THR 49 3.576 14.790 2.033 1645 2HG2 THR 49 2HG2 THR 49 4.675 16.159 2.209 1646 3HG2 THR 49 3HG2 THR 49 3.713 15.616 3.585 1647 H LYS 50 H LYS 50 5.172 17.090 4.541 1648 HA LYS 50 HA LYS 50 5.195 16.319 7.387 1649 1HB LYS 50 1HB LYS 50 5.816 18.929 6.087 1650 2HB LYS 50 2HB LYS 50 5.001 18.953 7.646 1651 1HG LYS 50 1HG LYS 50 6.831 17.534 8.554 1652 2HG LYS 50 2HG LYS 50 7.669 17.715 7.009 1653 1HD LYS 50 1HD LYS 50 6.756 20.123 8.539 1654 2HD LYS 50 2HD LYS 50 8.263 19.308 8.966 1655 1HE LYS 50 1HE LYS 50 8.685 19.500 6.366 1656 2HE LYS 50 2HE LYS 50 7.549 20.840 6.516 1657 1HZ LYS 50 1HZ LYS 50 9.792 21.630 6.762 1658 2HZ LYS 50 2HZ LYS 50 10.099 20.523 8.005 1659 3HZ LYS 50 3HZ LYS 50 8.989 21.778 8.246 1660 H THR 51 H THR 51 3.250 15.934 8.146 1661 HA THR 51 HA THR 51 0.921 17.164 6.842 1662 HB THR 51 HB THR 51 1.203 14.645 8.497 1663 HG1 THR 51 HG1 THR 51 0.652 13.649 6.581 1664 1HG2 THR 51 1HG2 THR 51 -1.327 15.738 7.283 1665 2HG2 THR 51 2HG2 THR 51 -0.962 15.681 9.008 1666 3HG2 THR 51 3HG2 THR 51 -1.133 14.182 8.092 1667 H PHE 52 H PHE 52 -0.409 18.496 7.952 1668 HA PHE 52 HA PHE 52 0.439 19.416 10.547 1669 1HB PHE 52 1HB PHE 52 -0.390 20.953 8.762 1670 2HB PHE 52 2HB PHE 52 -1.992 20.245 8.949 1671 HD1 PHE 52 HD1 PHE 52 0.620 22.224 10.644 1672 HD2 PHE 52 HD2 PHE 52 -3.426 20.906 10.700 1673 HE1 PHE 52 HE1 PHE 52 0.125 23.832 12.440 1674 HE2 PHE 52 HE2 PHE 52 -3.929 22.512 12.495 1675 HZ PHE 52 HZ PHE 52 -2.152 23.978 13.368 1676 H THR 53 H THR 53 -0.186 18.521 12.399 1677 HA THR 53 HA THR 53 -2.573 16.845 12.459 1678 HB THR 53 HB THR 53 -0.444 17.327 14.556 1679 HG1 THR 53 HG1 THR 53 -0.894 15.171 12.774 1680 1HG2 THR 53 1HG2 THR 53 -2.998 16.066 14.802 1681 2HG2 THR 53 2HG2 THR 53 -1.742 16.302 16.018 1682 3HG2 THR 53 3HG2 THR 53 -1.714 14.871 14.987 1683 H VAL 54 H VAL 54 -4.469 17.575 13.167 1684 HA VAL 54 HA VAL 54 -4.758 20.230 14.159 1685 HB VAL 54 HB VAL 54 -6.906 18.135 14.346 1686 1HG1 VAL 54 1HG1 VAL 54 -7.476 20.211 15.367 1687 2HG1 VAL 54 2HG1 VAL 54 -8.342 20.117 13.834 1688 3HG1 VAL 54 3HG1 VAL 54 -6.900 21.121 13.973 1689 1HG2 VAL 54 1HG2 VAL 54 -7.573 18.893 12.029 1690 2HG2 VAL 54 2HG2 VAL 54 -6.147 17.858 12.118 1691 3HG2 VAL 54 3HG2 VAL 54 -5.963 19.597 11.889 1692 H THR 55 H THR 55 -5.663 20.867 16.181 1693 HA THR 55 HA THR 55 -5.591 18.941 18.358 1694 HB THR 55 HB THR 55 -3.909 21.450 18.411 1695 HG1 THR 55 HG1 THR 55 -3.118 18.729 18.284 1696 1HG2 THR 55 1HG2 THR 55 -3.433 21.096 20.565 1697 2HG2 THR 55 2HG2 THR 55 -3.437 19.342 20.385 1698 3HG2 THR 55 3HG2 THR 55 -4.960 20.213 20.572 1699 H GLU 56 H GLU 56 -5.581 22.472 18.043 1700 HA GLU 56 HA GLU 56 -7.013 24.080 18.777 1701 1HB GLU 56 1HB GLU 56 -9.163 21.968 18.651 1702 2HB GLU 56 2HB GLU 56 -9.356 23.710 18.497 1703 1HG GLU 56 1HG GLU 56 -8.476 23.745 16.350 1704 2HG GLU 56 2HG GLU 56 -7.694 22.176 16.540 Start of MODEL 15 1 1H MET 1 1H MET 1 9.941 21.420 -0.805 2 2H MET 1 2H MET 1 10.141 19.878 -1.530 3 3H MET 1 3H MET 1 11.330 20.481 -0.450 4 HA MET 1 HA MET 1 10.022 18.849 0.623 5 1HB MET 1 1HB MET 1 9.948 21.717 1.395 6 2HB MET 1 2HB MET 1 8.934 20.622 2.325 7 1HG MET 1 1HG MET 1 11.718 19.757 1.886 8 2HG MET 1 2HG MET 1 11.489 21.165 2.924 9 1HE MET 1 1HE MET 1 9.245 17.228 3.766 10 2HE MET 1 2HE MET 1 10.050 17.577 2.235 11 3HE MET 1 3HE MET 1 8.633 18.509 2.719 12 H GLN 2 H GLN 2 8.166 17.767 0.721 13 HA GLN 2 HA GLN 2 5.852 18.846 -0.674 14 1HB GLN 2 1HB GLN 2 6.828 16.452 -0.908 15 2HB GLN 2 2HB GLN 2 5.974 16.127 0.595 16 1HG GLN 2 1HG GLN 2 3.926 16.244 -0.378 17 2HG GLN 2 2HG GLN 2 4.448 17.399 -1.602 18 1HE2 GLN 2 1HE2 GLN 2 5.154 14.064 -0.604 19 2HE2 GLN 2 2HE2 GLN 2 5.183 13.412 -2.204 20 H TYR 3 H TYR 3 4.240 19.817 0.338 21 HA TYR 3 HA TYR 3 3.921 19.382 3.225 22 1HB TYR 3 1HB TYR 3 3.342 21.716 1.436 23 2HB TYR 3 2HB TYR 3 2.489 21.548 2.967 24 HD1 TYR 3 HD1 TYR 3 5.692 22.272 1.373 25 HD2 TYR 3 HD2 TYR 3 3.695 21.715 5.089 26 HE1 TYR 3 HE1 TYR 3 7.597 23.296 2.544 27 HE2 TYR 3 HE2 TYR 3 5.593 22.739 6.270 28 HH TYR 3 HH TYR 3 8.193 22.998 5.699 29 H LYS 4 H LYS 4 2.192 18.446 3.998 30 HA LYS 4 HA LYS 4 -0.042 17.869 2.167 31 1HB LYS 4 1HB LYS 4 1.247 16.359 4.365 32 2HB LYS 4 2HB LYS 4 -0.500 16.202 4.242 33 1HG LYS 4 1HG LYS 4 -0.014 15.724 1.734 34 2HG LYS 4 2HG LYS 4 1.614 15.369 2.311 35 1HD LYS 4 1HD LYS 4 0.412 13.872 4.048 36 2HD LYS 4 2HD LYS 4 -0.964 13.981 2.948 37 1HE LYS 4 1HE LYS 4 0.192 12.913 1.214 38 2HE LYS 4 2HE LYS 4 1.760 13.184 1.974 39 1HZ LYS 4 1HZ LYS 4 0.865 10.861 2.110 40 2HZ LYS 4 2HZ LYS 4 -0.321 11.444 3.165 41 3HZ LYS 4 3HZ LYS 4 1.312 11.547 3.591 42 H VAL 5 H VAL 5 -2.037 18.575 2.572 43 HA VAL 5 HA VAL 5 -2.720 19.585 5.233 44 HB VAL 5 HB VAL 5 -3.249 21.231 2.758 45 1HG1 VAL 5 1HG1 VAL 5 -3.571 21.788 5.704 46 2HG1 VAL 5 2HG1 VAL 5 -4.855 21.609 4.508 47 3HG1 VAL 5 3HG1 VAL 5 -3.762 22.993 4.429 48 1HG2 VAL 5 1HG2 VAL 5 -1.519 22.780 3.685 49 2HG2 VAL 5 2HG2 VAL 5 -0.879 21.251 3.080 50 3HG2 VAL 5 3HG2 VAL 5 -1.063 21.505 4.815 51 H ILE 6 H ILE 6 -4.701 18.921 5.826 52 HA ILE 6 HA ILE 6 -6.438 17.793 3.753 53 HB ILE 6 HB ILE 6 -6.686 17.453 6.740 54 1HG1 ILE 6 1HG1 ILE 6 -5.491 15.480 4.790 55 2HG1 ILE 6 2HG1 ILE 6 -4.513 16.598 5.735 56 1HG2 ILE 6 1HG2 ILE 6 -8.703 17.058 5.303 57 2HG2 ILE 6 2HG2 ILE 6 -8.175 15.663 6.245 58 3HG2 ILE 6 3HG2 ILE 6 -7.809 15.754 4.522 59 1HD1 ILE 6 1HD1 ILE 6 -4.433 14.708 7.022 60 2HD1 ILE 6 2HD1 ILE 6 -6.085 14.234 6.625 61 3HD1 ILE 6 3HD1 ILE 6 -5.794 15.559 7.751 62 H LEU 7 H LEU 7 -8.067 19.009 3.054 63 HA LEU 7 HA LEU 7 -9.186 21.050 4.850 64 1HB LEU 7 1HB LEU 7 -8.797 20.885 1.917 65 2HB LEU 7 2HB LEU 7 -10.275 21.658 2.457 66 HG LEU 7 HG LEU 7 -8.422 22.905 4.031 67 1HD1 LEU 7 1HD1 LEU 7 -7.094 22.846 1.357 68 2HD1 LEU 7 2HD1 LEU 7 -6.706 21.624 2.567 69 3HD1 LEU 7 3HD1 LEU 7 -6.446 23.331 2.922 70 1HD2 LEU 7 1HD2 LEU 7 -10.230 23.962 2.750 71 2HD2 LEU 7 2HD2 LEU 7 -9.290 23.761 1.270 72 3HD2 LEU 7 3HD2 LEU 7 -8.698 24.816 2.555 73 H ASN 8 H ASN 8 -11.092 20.633 5.748 74 HA ASN 8 HA ASN 8 -13.169 19.284 4.264 75 1HB ASN 8 1HB ASN 8 -11.802 18.019 6.621 76 2HB ASN 8 2HB ASN 8 -13.499 17.682 6.291 77 1HD2 ASN 8 1HD2 ASN 8 -10.842 16.162 6.098 78 2HD2 ASN 8 2HD2 ASN 8 -10.931 15.401 4.549 79 H GLY 9 H GLY 9 -14.720 20.763 4.528 80 1HA GLY 9 1HA GLY 9 -15.298 21.656 7.288 81 2HA GLY 9 2HA GLY 9 -15.399 22.743 5.911 82 H LYS 10 H LYS 10 -16.723 19.676 7.128 83 HA LYS 10 HA LYS 10 -19.368 20.545 6.221 84 1HB LYS 10 1HB LYS 10 -18.096 17.885 5.566 85 2HB LYS 10 2HB LYS 10 -19.816 18.212 5.396 86 1HG LYS 10 1HG LYS 10 -18.992 20.209 3.928 87 2HG LYS 10 2HG LYS 10 -17.521 19.240 3.799 88 1HD LYS 10 1HD LYS 10 -18.833 17.354 2.964 89 2HD LYS 10 2HD LYS 10 -20.310 18.310 3.110 90 1HE LYS 10 1HE LYS 10 -19.612 19.807 1.409 91 2HE LYS 10 2HE LYS 10 -17.973 19.161 1.417 92 1HZ LYS 10 1HZ LYS 10 -19.834 18.441 -0.342 93 2HZ LYS 10 2HZ LYS 10 -20.079 17.249 0.834 94 3HZ LYS 10 3HZ LYS 10 -18.555 17.434 0.123 95 H THR 11 H THR 11 -20.529 20.617 8.028 96 HA THR 11 HA THR 11 -19.951 18.842 10.244 97 HB THR 11 HB THR 11 -21.712 20.137 11.420 98 HG1 THR 11 HG1 THR 11 -22.914 21.562 10.398 99 1HG2 THR 11 1HG2 THR 11 -20.170 22.312 10.190 100 2HG2 THR 11 2HG2 THR 11 -19.224 20.998 10.889 101 3HG2 THR 11 3HG2 THR 11 -20.380 21.878 11.886 102 H LEU 12 H LEU 12 -21.312 17.275 11.068 103 HA LEU 12 HA LEU 12 -23.055 16.022 9.165 104 1HB LEU 12 1HB LEU 12 -21.592 14.754 10.710 105 2HB LEU 12 2HB LEU 12 -22.558 15.323 12.058 106 HG LEU 12 HG LEU 12 -24.528 14.210 10.698 107 1HD1 LEU 12 1HD1 LEU 12 -23.604 12.061 9.690 108 2HD1 LEU 12 2HD1 LEU 12 -22.050 12.893 9.632 109 3HD1 LEU 12 3HD1 LEU 12 -23.430 13.537 8.740 110 1HD2 LEU 12 1HD2 LEU 12 -23.744 13.615 12.967 111 2HD2 LEU 12 2HD2 LEU 12 -22.531 12.561 12.241 112 3HD2 LEU 12 3HD2 LEU 12 -24.245 12.215 12.020 113 H LYS 13 H LYS 13 -23.455 17.966 12.052 114 HA LYS 13 HA LYS 13 -26.377 17.796 11.706 115 1HB LYS 13 1HB LYS 13 -26.546 18.436 14.099 116 2HB LYS 13 2HB LYS 13 -25.739 16.893 13.851 117 1HG LYS 13 1HG LYS 13 -23.556 18.138 14.037 118 2HG LYS 13 2HG LYS 13 -24.497 19.531 14.573 119 1HD LYS 13 1HD LYS 13 -23.840 18.491 16.560 120 2HD LYS 13 2HD LYS 13 -25.497 17.937 16.316 121 1HE LYS 13 1HE LYS 13 -24.728 15.833 15.455 122 2HE LYS 13 2HE LYS 13 -23.055 16.389 15.467 123 1HZ LYS 13 1HZ LYS 13 -24.772 15.637 17.738 124 2HZ LYS 13 2HZ LYS 13 -23.481 16.703 17.977 125 3HZ LYS 13 3HZ LYS 13 -23.192 15.147 17.384 126 H GLY 14 H GLY 14 -27.552 19.792 12.432 127 1HA GLY 14 1HA GLY 14 -27.783 22.110 12.566 128 2HA GLY 14 2HA GLY 14 -26.057 22.275 12.279 129 H GLU 15 H GLU 15 -26.683 24.016 10.830 130 HA GLU 15 HA GLU 15 -27.394 22.974 8.171 131 1HB GLU 15 1HB GLU 15 -28.459 25.282 7.793 132 2HB GLU 15 2HB GLU 15 -29.354 24.113 8.753 133 1HG GLU 15 1HG GLU 15 -28.921 25.236 10.746 134 2HG GLU 15 2HG GLU 15 -27.580 26.147 10.050 135 H THR 16 H THR 16 -25.698 23.186 6.887 136 HA THR 16 HA THR 16 -23.489 24.860 7.440 137 HB THR 16 HB THR 16 -23.292 22.791 6.134 138 HG1 THR 16 HG1 THR 16 -21.656 24.181 5.726 139 1HG2 THR 16 1HG2 THR 16 -25.429 23.060 4.857 140 2HG2 THR 16 2HG2 THR 16 -24.033 22.564 3.902 141 3HG2 THR 16 3HG2 THR 16 -24.591 24.235 3.846 142 H THR 17 H THR 17 -22.769 26.741 6.411 143 HA THR 17 HA THR 17 -24.387 28.065 4.438 144 HB THR 17 HB THR 17 -24.163 29.332 7.174 145 HG1 THR 17 HG1 THR 17 -26.305 28.004 5.895 146 1HG2 THR 17 1HG2 THR 17 -24.454 31.179 5.921 147 2HG2 THR 17 2HG2 THR 17 -26.140 30.662 5.981 148 3HG2 THR 17 3HG2 THR 17 -25.153 30.290 4.568 149 H THR 18 H THR 18 -21.968 28.728 6.976 150 HA THR 18 HA THR 18 -20.422 30.258 5.000 151 HB THR 18 HB THR 18 -19.200 31.143 6.998 152 HG1 THR 18 HG1 THR 18 -19.482 29.833 8.648 153 1HG2 THR 18 1HG2 THR 18 -21.990 31.667 6.366 154 2HG2 THR 18 2HG2 THR 18 -20.657 32.787 6.652 155 3HG2 THR 18 3HG2 THR 18 -21.546 32.106 8.015 156 H GLU 19 H GLU 19 -19.616 28.315 4.004 157 HA GLU 19 HA GLU 19 -18.120 26.375 5.423 158 1HB GLU 19 1HB GLU 19 -18.248 27.147 2.513 159 2HB GLU 19 2HB GLU 19 -17.190 25.867 3.091 160 1HG GLU 19 1HG GLU 19 -19.022 24.552 3.807 161 2HG GLU 19 2HG GLU 19 -20.152 25.888 3.587 162 H ALA 20 H ALA 20 -16.184 26.561 6.318 163 HA ALA 20 HA ALA 20 -14.502 28.843 5.648 164 1HB ALA 20 1HB ALA 20 -14.803 27.055 7.966 165 2HB ALA 20 2HB ALA 20 -14.451 28.781 7.899 166 3HB ALA 20 3HB ALA 20 -13.162 27.609 7.633 167 H VAL 21 H VAL 21 -13.650 25.517 6.498 168 HA VAL 21 HA VAL 21 -11.319 25.572 4.848 169 HB VAL 21 HB VAL 21 -12.547 23.111 6.089 170 1HG1 VAL 21 1HG1 VAL 21 -9.761 23.828 5.199 171 2HG1 VAL 21 2HG1 VAL 21 -10.817 22.585 4.530 172 3HG1 VAL 21 3HG1 VAL 21 -10.150 22.396 6.151 173 1HG2 VAL 21 1HG2 VAL 21 -10.895 25.287 7.326 174 2HG2 VAL 21 2HG2 VAL 21 -10.826 23.634 7.938 175 3HG2 VAL 21 3HG2 VAL 21 -12.356 24.511 7.942 176 H ASP 22 H ASP 22 -12.571 26.142 2.876 177 HA ASP 22 HA ASP 22 -13.871 23.851 1.585 178 1HB ASP 22 1HB ASP 22 -15.037 26.049 1.604 179 2HB ASP 22 2HB ASP 22 -13.701 26.735 0.684 180 H ALA 23 H ALA 23 -13.146 22.928 -0.229 181 HA ALA 23 HA ALA 23 -10.464 22.733 -0.774 182 1HB ALA 23 1HB ALA 23 -11.142 21.185 -2.233 183 2HB ALA 23 2HB ALA 23 -12.137 22.336 -3.129 184 3HB ALA 23 3HB ALA 23 -12.769 21.570 -1.670 185 H ALA 24 H ALA 24 -12.832 24.885 -2.293 186 HA ALA 24 HA ALA 24 -11.086 25.954 -4.253 187 1HB ALA 24 1HB ALA 24 -13.543 27.233 -3.065 188 2HB ALA 24 2HB ALA 24 -13.550 26.065 -4.386 189 3HB ALA 24 3HB ALA 24 -12.779 27.636 -4.603 190 H THR 25 H THR 25 -11.719 26.751 -0.909 191 HA THR 25 HA THR 25 -10.596 29.335 -0.867 192 HB THR 25 HB THR 25 -11.048 27.238 1.253 193 HG1 THR 25 HG1 THR 25 -12.807 28.355 1.649 194 1HG2 THR 25 1HG2 THR 25 -9.656 28.252 2.642 195 2HG2 THR 25 2HG2 THR 25 -10.792 29.604 2.624 196 3HG2 THR 25 3HG2 THR 25 -9.402 29.603 1.536 197 H PHE 26 H PHE 26 -9.187 26.138 -0.397 198 HA PHE 26 HA PHE 26 -6.593 27.042 0.332 199 1HB PHE 26 1HB PHE 26 -7.527 24.712 0.694 200 2HB PHE 26 2HB PHE 26 -7.230 24.416 -1.016 201 HD1 PHE 26 HD1 PHE 26 -5.631 25.137 2.222 202 HD2 PHE 26 HD2 PHE 26 -5.046 23.978 -1.830 203 HE1 PHE 26 HE1 PHE 26 -3.308 24.516 2.740 204 HE2 PHE 26 HE2 PHE 26 -2.722 23.352 -1.320 205 HZ PHE 26 HZ PHE 26 -1.850 23.621 0.968 206 H GLU 27 H GLU 27 -7.993 25.984 -2.740 207 HA GLU 27 HA GLU 27 -5.755 26.117 -4.356 208 1HB GLU 27 1HB GLU 27 -8.057 25.242 -4.932 209 2HB GLU 27 2HB GLU 27 -8.531 26.908 -5.227 210 1HG GLU 27 1HG GLU 27 -6.302 26.745 -6.745 211 2HG GLU 27 2HG GLU 27 -6.898 25.089 -6.847 212 H LYS 28 H LYS 28 -8.133 28.710 -3.768 213 HA LYS 28 HA LYS 28 -6.837 30.614 -5.390 214 1HB LYS 28 1HB LYS 28 -9.230 30.677 -4.633 215 2HB LYS 28 2HB LYS 28 -8.655 31.185 -3.051 216 1HG LYS 28 1HG LYS 28 -7.500 33.100 -4.301 217 2HG LYS 28 2HG LYS 28 -8.553 32.668 -5.649 218 1HD LYS 28 1HD LYS 28 -9.608 33.213 -2.886 219 2HD LYS 28 2HD LYS 28 -9.388 34.491 -4.084 220 1HE LYS 28 1HE LYS 28 -10.967 33.522 -5.550 221 2HE LYS 28 2HE LYS 28 -10.986 32.008 -4.647 222 1HZ LYS 28 1HZ LYS 28 -12.945 33.479 -4.278 223 2HZ LYS 28 2HZ LYS 28 -11.917 34.588 -3.521 224 3HZ LYS 28 3HZ LYS 28 -12.125 33.045 -2.862 225 H VAL 29 H VAL 29 -6.697 30.077 -1.864 226 HA VAL 29 HA VAL 29 -5.106 32.309 -1.268 227 HB VAL 29 HB VAL 29 -5.252 29.672 0.201 228 1HG1 VAL 29 1HG1 VAL 29 -4.453 30.890 2.146 229 2HG1 VAL 29 2HG1 VAL 29 -4.337 32.371 1.199 230 3HG1 VAL 29 3HG1 VAL 29 -3.279 31.007 0.834 231 1HG2 VAL 29 1HG2 VAL 29 -6.664 32.050 1.215 232 2HG2 VAL 29 2HG2 VAL 29 -7.156 30.358 1.198 233 3HG2 VAL 29 3HG2 VAL 29 -7.320 31.338 -0.258 234 H VAL 30 H VAL 30 -4.201 28.992 -2.129 235 HA VAL 30 HA VAL 30 -1.436 29.338 -1.622 236 HB VAL 30 HB VAL 30 -2.696 27.335 -3.498 237 1HG1 VAL 30 1HG1 VAL 30 -0.074 27.249 -2.007 238 2HG1 VAL 30 2HG1 VAL 30 -0.258 27.575 -3.730 239 3HG1 VAL 30 3HG1 VAL 30 -0.711 26.001 -3.077 240 1HG2 VAL 30 1HG2 VAL 30 -3.339 27.570 -0.888 241 2HG2 VAL 30 2HG2 VAL 30 -1.920 26.528 -0.771 242 3HG2 VAL 30 3HG2 VAL 30 -3.299 26.033 -1.754 243 H LYS 31 H LYS 31 -3.314 29.507 -4.664 244 HA LYS 31 HA LYS 31 -1.107 29.983 -6.328 245 1HB LYS 31 1HB LYS 31 -3.301 29.304 -7.176 246 2HB LYS 31 2HB LYS 31 -3.994 30.829 -6.645 247 1HG LYS 31 1HG LYS 31 -3.047 32.017 -8.351 248 2HG LYS 31 2HG LYS 31 -1.695 30.897 -8.528 249 1HD LYS 31 1HD LYS 31 -4.547 30.274 -9.288 250 2HD LYS 31 2HD LYS 31 -3.306 30.820 -10.419 251 1HE LYS 31 1HE LYS 31 -1.973 28.789 -9.384 252 2HE LYS 31 2HE LYS 31 -3.598 28.208 -9.024 253 1HZ LYS 31 1HZ LYS 31 -4.040 28.737 -11.486 254 2HZ LYS 31 2HZ LYS 31 -3.173 27.335 -11.104 255 3HZ LYS 31 3HZ LYS 31 -2.355 28.712 -11.648 256 H GLN 32 H GLN 32 -3.318 32.204 -4.676 257 HA GLN 32 HA GLN 32 -2.170 34.574 -5.698 258 1HB GLN 32 1HB GLN 32 -4.442 34.394 -4.674 259 2HB GLN 32 2HB GLN 32 -3.674 34.238 -3.101 260 1HG GLN 32 1HG GLN 32 -4.429 36.503 -3.449 261 2HG GLN 32 2HG GLN 32 -2.669 36.450 -3.375 262 1HE2 GLN 32 1HE2 GLN 32 -5.426 36.689 -5.535 263 2HE2 GLN 32 2HE2 GLN 32 -4.587 37.478 -6.824 264 H PHE 33 H PHE 33 -1.531 32.692 -2.736 265 HA PHE 33 HA PHE 33 0.228 34.579 -1.598 266 1HB PHE 33 1HB PHE 33 -0.702 33.151 -0.050 267 2HB PHE 33 2HB PHE 33 -0.563 31.751 -1.097 268 HD1 PHE 33 HD1 PHE 33 1.862 34.142 0.490 269 HD2 PHE 33 HD2 PHE 33 0.693 30.119 -0.245 270 HE1 PHE 33 HE1 PHE 33 3.810 33.341 1.771 271 HE2 PHE 33 HE2 PHE 33 2.640 29.310 1.019 272 HZ PHE 33 HZ PHE 33 4.202 30.919 2.029 273 H PHE 34 H PHE 34 0.852 31.583 -3.432 274 HA PHE 34 HA PHE 34 3.674 32.023 -3.320 275 1HB PHE 34 1HB PHE 34 1.949 29.921 -4.522 276 2HB PHE 34 2HB PHE 34 3.626 30.062 -5.057 277 HD1 PHE 34 HD1 PHE 34 1.497 28.637 -2.630 278 HD2 PHE 34 HD2 PHE 34 5.385 30.286 -3.156 279 HE1 PHE 34 HE1 PHE 34 2.261 27.493 -0.586 280 HE2 PHE 34 HE2 PHE 34 6.155 29.144 -1.122 281 HZ PHE 34 HZ PHE 34 4.594 27.752 0.173 282 H ASN 35 H ASN 35 1.204 32.796 -5.680 283 HA ASN 35 HA ASN 35 2.812 33.166 -7.926 284 1HB ASN 35 1HB ASN 35 0.245 34.404 -7.020 285 2HB ASN 35 2HB ASN 35 1.069 35.079 -8.423 286 1HD2 ASN 35 1HD2 ASN 35 1.192 31.653 -7.645 287 2HD2 ASN 35 2HD2 ASN 35 0.220 31.137 -8.975 288 H ASP 36 H ASP 36 2.457 35.136 -5.087 289 HA ASP 36 HA ASP 36 3.592 37.528 -6.023 290 1HB ASP 36 1HB ASP 36 3.292 36.290 -3.307 291 2HB ASP 36 2HB ASP 36 4.206 37.783 -3.507 292 H ASN 37 H ASN 37 5.043 34.491 -5.422 293 HA ASN 37 HA ASN 37 7.714 35.703 -5.184 294 1HB ASN 37 1HB ASN 37 7.191 32.758 -4.905 295 2HB ASN 37 2HB ASN 37 8.515 33.711 -4.248 296 1HD2 ASN 37 1HD2 ASN 37 5.642 32.219 -3.580 297 2HD2 ASN 37 2HD2 ASN 37 5.277 32.982 -2.073 298 H GLY 38 H GLY 38 5.681 34.014 -7.402 299 1HA GLY 38 1HA GLY 38 6.523 34.276 -9.745 300 2HA GLY 38 2HA GLY 38 8.016 33.562 -9.159 301 H VAL 39 H VAL 39 5.152 32.203 -7.819 302 HA VAL 39 HA VAL 39 5.636 29.753 -9.311 303 HB VAL 39 HB VAL 39 3.644 30.240 -7.089 304 1HG1 VAL 39 1HG1 VAL 39 4.556 27.815 -8.573 305 2HG1 VAL 39 2HG1 VAL 39 2.930 28.283 -8.076 306 3HG1 VAL 39 3HG1 VAL 39 4.074 27.668 -6.883 307 1HG2 VAL 39 1HG2 VAL 39 6.530 29.442 -7.040 308 2HG2 VAL 39 2HG2 VAL 39 5.427 28.926 -5.764 309 3HG2 VAL 39 3HG2 VAL 39 5.690 30.644 -6.061 310 H ASP 40 H ASP 40 4.141 28.774 -10.684 311 HA ASP 40 HA ASP 40 1.530 29.948 -11.065 312 1HB ASP 40 1HB ASP 40 3.594 30.058 -13.273 313 2HB ASP 40 2HB ASP 40 1.883 30.420 -13.471 314 H GLY 41 H GLY 41 0.628 28.880 -13.265 315 1HA GLY 41 1HA GLY 41 0.786 26.783 -14.577 316 2HA GLY 41 2HA GLY 41 1.268 25.996 -13.080 317 H GLU 42 H GLU 42 -0.399 24.517 -13.015 318 HA GLU 42 HA GLU 42 -2.959 25.601 -12.166 319 1HB GLU 42 1HB GLU 42 -2.587 23.898 -14.612 320 2HB GLU 42 2HB GLU 42 -4.098 23.871 -13.714 321 1HG GLU 42 1HG GLU 42 -4.073 26.420 -13.988 322 2HG GLU 42 2HG GLU 42 -2.853 26.132 -15.227 323 H TRP 43 H TRP 43 -4.311 24.041 -11.100 324 HA TRP 43 HA TRP 43 -2.799 22.200 -9.526 325 1HB TRP 43 1HB TRP 43 -5.716 22.917 -9.664 326 2HB TRP 43 2HB TRP 43 -5.139 21.609 -8.635 327 HD1 TRP 43 HD1 TRP 43 -5.196 25.398 -8.910 328 HE1 TRP 43 HE1 TRP 43 -4.337 26.412 -6.711 329 HE3 TRP 43 HE3 TRP 43 -3.523 21.128 -6.654 330 HZ2 TRP 43 HZ2 TRP 43 -3.102 25.519 -4.328 331 HZ3 TRP 43 HZ3 TRP 43 -2.515 21.294 -4.415 332 HH2 TRP 43 HH2 TRP 43 -2.309 23.445 -3.278 333 H THR 44 H THR 44 -2.295 20.214 -9.982 334 HA THR 44 HA THR 44 -3.932 18.741 -11.934 335 HB THR 44 HB THR 44 -1.910 17.428 -12.430 336 HG1 THR 44 HG1 THR 44 -0.596 17.470 -10.756 337 1HG2 THR 44 1HG2 THR 44 -1.248 20.353 -12.609 338 2HG2 THR 44 2HG2 THR 44 -2.346 19.517 -13.707 339 3HG2 THR 44 3HG2 THR 44 -0.648 19.046 -13.629 340 H TYR 45 H TYR 45 -4.676 16.771 -11.424 341 HA TYR 45 HA TYR 45 -4.858 16.053 -8.674 342 1HB TYR 45 1HB TYR 45 -5.792 14.798 -11.234 343 2HB TYR 45 2HB TYR 45 -5.894 13.901 -9.723 344 HD1 TYR 45 HD1 TYR 45 -7.315 16.565 -11.725 345 HD2 TYR 45 HD2 TYR 45 -7.310 14.764 -7.871 346 HE1 TYR 45 HE1 TYR 45 -9.431 17.703 -11.197 347 HE2 TYR 45 HE2 TYR 45 -9.425 15.894 -7.332 348 HH TYR 45 HH TYR 45 -10.627 18.037 -8.145 349 H ASP 46 H ASP 46 -3.903 14.386 -7.552 350 HA ASP 46 HA ASP 46 -1.295 13.621 -8.404 351 1HB ASP 46 1HB ASP 46 -2.936 12.568 -6.086 352 2HB ASP 46 2HB ASP 46 -1.203 12.349 -6.307 353 H ASP 47 H ASP 47 -0.528 11.399 -8.591 354 HA ASP 47 HA ASP 47 -2.072 9.888 -10.414 355 1HB ASP 47 1HB ASP 47 -0.266 8.196 -10.201 356 2HB ASP 47 2HB ASP 47 0.354 9.820 -10.489 357 H ALA 48 H ALA 48 -3.474 8.259 -10.127 358 HA ALA 48 HA ALA 48 -4.690 7.749 -7.691 359 1HB ALA 48 1HB ALA 48 -5.421 7.218 -10.137 360 2HB ALA 48 2HB ALA 48 -6.010 6.227 -8.802 361 3HB ALA 48 3HB ALA 48 -4.684 5.649 -9.811 362 H THR 49 H THR 49 -4.534 6.191 -6.143 363 HA THR 49 HA THR 49 -2.377 4.217 -6.361 364 HB THR 49 HB THR 49 -2.836 5.879 -3.880 365 HG1 THR 49 HG1 THR 49 -1.973 7.284 -5.312 366 1HG2 THR 49 1HG2 THR 49 -0.556 4.078 -4.659 367 2HG2 THR 49 2HG2 THR 49 -1.781 3.739 -3.436 368 3HG2 THR 49 3HG2 THR 49 -0.645 5.069 -3.203 369 H LYS 50 H LYS 50 -2.598 2.409 -4.882 370 HA LYS 50 HA LYS 50 -5.376 2.036 -3.963 371 1HB LYS 50 1HB LYS 50 -3.552 0.232 -5.491 372 2HB LYS 50 2HB LYS 50 -4.702 -0.488 -4.374 373 1HG LYS 50 1HG LYS 50 -6.544 0.315 -5.574 374 2HG LYS 50 2HG LYS 50 -5.563 1.475 -6.470 375 1HD LYS 50 1HD LYS 50 -4.343 -0.785 -7.220 376 2HD LYS 50 2HD LYS 50 -5.957 -1.427 -6.909 377 1HE LYS 50 1HE LYS 50 -6.929 0.162 -8.446 378 2HE LYS 50 2HE LYS 50 -5.364 0.936 -8.685 379 1HZ LYS 50 1HZ LYS 50 -5.535 -1.923 -9.243 380 2HZ LYS 50 2HZ LYS 50 -4.647 -0.718 -10.033 381 3HZ LYS 50 3HZ LYS 50 -6.304 -0.882 -10.334 382 H THR 51 H THR 51 -5.637 1.588 -1.893 383 HA THR 51 HA THR 51 -3.308 0.678 -0.335 384 HB THR 51 HB THR 51 -5.613 2.471 0.467 385 HG1 THR 51 HG1 THR 51 -2.831 2.861 0.150 386 1HG2 THR 51 1HG2 THR 51 -5.059 1.043 2.365 387 2HG2 THR 51 2HG2 THR 51 -4.552 2.708 2.639 388 3HG2 THR 51 3HG2 THR 51 -3.360 1.484 2.205 389 H PHE 52 H PHE 52 -3.489 -1.199 0.750 390 HA PHE 52 HA PHE 52 -5.910 -2.742 0.462 391 1HB PHE 52 1HB PHE 52 -3.551 -3.669 0.253 392 2HB PHE 52 2HB PHE 52 -3.443 -3.540 2.006 393 HD1 PHE 52 HD1 PHE 52 -5.397 -5.104 -0.730 394 HD2 PHE 52 HD2 PHE 52 -4.300 -5.214 3.380 395 HE1 PHE 52 HE1 PHE 52 -6.478 -7.303 -0.504 396 HE2 PHE 52 HE2 PHE 52 -5.378 -7.414 3.614 397 HZ PHE 52 HZ PHE 52 -6.469 -8.461 1.670 398 H THR 53 H THR 53 -7.527 -2.775 1.866 399 HA THR 53 HA THR 53 -7.088 -1.744 4.572 400 HB THR 53 HB THR 53 -9.656 -2.343 3.082 401 HG1 THR 53 HG1 THR 53 -8.337 -0.485 2.428 402 1HG2 THR 53 1HG2 THR 53 -9.277 -0.969 5.733 403 2HG2 THR 53 2HG2 THR 53 -10.021 -2.547 5.475 404 3HG2 THR 53 3HG2 THR 53 -10.791 -1.095 4.836 405 H VAL 54 H VAL 54 -6.841 -3.113 6.219 406 HA VAL 54 HA VAL 54 -7.066 -5.926 5.856 407 HB VAL 54 HB VAL 54 -6.866 -4.579 8.539 408 1HG1 VAL 54 1HG1 VAL 54 -7.143 -6.892 8.787 409 2HG1 VAL 54 2HG1 VAL 54 -5.404 -6.632 8.931 410 3HG1 VAL 54 3HG1 VAL 54 -6.080 -7.253 7.425 411 1HG2 VAL 54 1HG2 VAL 54 -4.713 -4.970 6.472 412 2HG2 VAL 54 2HG2 VAL 54 -4.361 -4.778 8.189 413 3HG2 VAL 54 3HG2 VAL 54 -5.172 -3.484 7.306 414 H THR 55 H THR 55 -8.398 -7.383 7.063 415 HA THR 55 HA THR 55 -10.808 -6.312 8.279 416 HB THR 55 HB THR 55 -10.939 -8.183 5.912 417 HG1 THR 55 HG1 THR 55 -11.754 -5.479 6.155 418 1HG2 THR 55 1HG2 THR 55 -13.370 -7.759 6.018 419 2HG2 THR 55 2HG2 THR 55 -13.126 -6.954 7.568 420 3HG2 THR 55 3HG2 THR 55 -12.751 -8.669 7.396 421 H GLU 56 H GLU 56 -9.827 -9.451 6.955 422 HA GLU 56 HA GLU 56 -10.388 -10.659 9.568 423 1HB GLU 56 1HB GLU 56 -10.301 -11.717 6.764 424 2HB GLU 56 2HB GLU 56 -10.098 -12.819 8.120 425 1HG GLU 56 1HG GLU 56 -12.271 -11.843 9.022 426 2HG GLU 56 2HG GLU 56 -12.481 -11.143 7.418 427 1H MET 1 1H MET 1 -10.135 17.642 2.485 428 2H MET 1 2H MET 1 -9.803 15.974 2.723 429 3H MET 1 3H MET 1 -11.175 16.457 1.811 430 HA MET 1 HA MET 1 -9.479 15.705 0.370 431 1HB MET 1 1HB MET 1 -10.341 18.546 0.472 432 2HB MET 1 2HB MET 1 -9.082 18.146 -0.686 433 1HG MET 1 1HG MET 1 -11.430 16.365 -0.653 434 2HG MET 1 2HG MET 1 -11.702 18.010 -1.225 435 1HE MET 1 1HE MET 1 -8.388 15.387 -3.063 436 2HE MET 1 2HE MET 1 -9.190 15.010 -1.540 437 3HE MET 1 3HE MET 1 -8.154 16.432 -1.662 438 H GLN 2 H GLN 2 -7.384 15.328 0.058 439 HA GLN 2 HA GLN 2 -5.456 16.627 1.807 440 1HB GLN 2 1HB GLN 2 -5.630 14.086 1.296 441 2HB GLN 2 2HB GLN 2 -4.785 14.490 -0.193 442 1HG GLN 2 1HG GLN 2 -2.833 14.954 0.873 443 2HG GLN 2 2HG GLN 2 -3.634 15.482 2.350 444 1HE2 GLN 2 1HE2 GLN 2 -3.309 12.533 0.399 445 2HE2 GLN 2 2HE2 GLN 2 -3.060 11.470 1.737 446 H TYR 3 H TYR 3 -4.279 18.299 1.192 447 HA TYR 3 HA TYR 3 -3.978 18.834 -1.680 448 1HB TYR 3 1HB TYR 3 -4.070 20.613 0.730 449 2HB TYR 3 2HB TYR 3 -3.280 21.167 -0.743 450 HD1 TYR 3 HD1 TYR 3 -6.470 20.366 0.841 451 HD2 TYR 3 HD2 TYR 3 -4.579 21.554 -2.779 452 HE1 TYR 3 HE1 TYR 3 -8.652 21.037 -0.073 453 HE2 TYR 3 HE2 TYR 3 -6.755 22.229 -3.702 454 HH TYR 3 HH TYR 3 -9.270 21.497 -3.211 455 H LYS 4 H LYS 4 -2.081 18.745 -2.609 456 HA LYS 4 HA LYS 4 0.305 18.394 -0.920 457 1HB LYS 4 1HB LYS 4 -0.554 17.253 -3.514 458 2HB LYS 4 2HB LYS 4 1.160 17.620 -3.363 459 1HG LYS 4 1HG LYS 4 0.971 16.319 -1.121 460 2HG LYS 4 2HG LYS 4 -0.493 15.654 -1.847 461 1HD LYS 4 1HD LYS 4 1.027 15.170 -3.887 462 2HD LYS 4 2HD LYS 4 2.353 15.383 -2.742 463 1HE LYS 4 1HE LYS 4 1.670 13.561 -1.437 464 2HE LYS 4 2HE LYS 4 0.063 13.532 -2.164 465 1HZ LYS 4 1HZ LYS 4 1.648 11.750 -2.910 466 2HZ LYS 4 2HZ LYS 4 2.524 12.955 -3.709 467 3HZ LYS 4 3HZ LYS 4 0.922 12.641 -4.150 468 H VAL 5 H VAL 5 1.957 19.771 -1.011 469 HA VAL 5 HA VAL 5 2.167 21.662 -3.237 470 HB VAL 5 HB VAL 5 2.273 22.608 -0.372 471 1HG1 VAL 5 1HG1 VAL 5 2.265 24.061 -3.013 472 2HG1 VAL 5 2HG1 VAL 5 3.597 23.953 -1.863 473 3HG1 VAL 5 3HG1 VAL 5 2.135 24.843 -1.438 474 1HG2 VAL 5 1HG2 VAL 5 0.106 23.736 -0.891 475 2HG2 VAL 5 2HG2 VAL 5 0.002 21.980 -0.784 476 3HG2 VAL 5 3HG2 VAL 5 0.015 22.767 -2.361 477 H ILE 6 H ILE 6 4.227 21.848 -3.901 478 HA ILE 6 HA ILE 6 6.327 20.774 -2.159 479 HB ILE 6 HB ILE 6 6.526 21.397 -5.104 480 1HG1 ILE 6 1HG1 ILE 6 6.098 18.679 -3.859 481 2HG1 ILE 6 2HG1 ILE 6 4.777 19.659 -4.486 482 1HG2 ILE 6 1HG2 ILE 6 8.631 21.258 -3.754 483 2HG2 ILE 6 2HG2 ILE 6 8.519 20.093 -5.071 484 3HG2 ILE 6 3HG2 ILE 6 8.224 19.577 -3.413 485 1HD1 ILE 6 1HD1 ILE 6 5.224 18.296 -6.267 486 2HD1 ILE 6 2HD1 ILE 6 6.957 18.258 -5.945 487 3HD1 ILE 6 3HD1 ILE 6 6.223 19.695 -6.655 488 H LEU 7 H LEU 7 7.525 22.181 -1.069 489 HA LEU 7 HA LEU 7 7.868 24.897 -2.149 490 1HB LEU 7 1HB LEU 7 7.693 23.781 0.592 491 2HB LEU 7 2HB LEU 7 8.828 25.097 0.365 492 HG LEU 7 HG LEU 7 6.603 26.102 -0.861 493 1HD1 LEU 7 1HD1 LEU 7 5.495 24.863 1.620 494 2HD1 LEU 7 2HD1 LEU 7 5.446 23.983 0.092 495 3HD1 LEU 7 3HD1 LEU 7 4.650 25.550 0.233 496 1HD2 LEU 7 1HD2 LEU 7 8.059 27.246 0.757 497 2HD2 LEU 7 2HD2 LEU 7 7.288 26.351 2.066 498 3HD2 LEU 7 3HD2 LEU 7 6.350 27.497 1.109 499 H ASN 8 H ASN 8 9.773 25.374 -3.040 500 HA ASN 8 HA ASN 8 12.233 24.357 -1.914 501 1HB ASN 8 1HB ASN 8 11.200 23.455 -4.583 502 2HB ASN 8 2HB ASN 8 12.934 23.577 -4.299 503 1HD2 ASN 8 1HD2 ASN 8 10.900 21.322 -4.658 504 2HD2 ASN 8 2HD2 ASN 8 11.292 20.222 -3.386 505 H GLY 9 H GLY 9 13.459 26.110 -1.792 506 1HA GLY 9 1HA GLY 9 13.036 28.395 -3.467 507 2HA GLY 9 2HA GLY 9 14.295 28.211 -2.255 508 H LYS 10 H LYS 10 13.387 27.382 -5.566 509 HA LYS 10 HA LYS 10 16.031 26.485 -6.252 510 1HB LYS 10 1HB LYS 10 13.802 27.224 -8.148 511 2HB LYS 10 2HB LYS 10 15.173 26.171 -8.467 512 1HG LYS 10 1HG LYS 10 14.277 24.602 -6.749 513 2HG LYS 10 2HG LYS 10 12.841 25.624 -6.647 514 1HD LYS 10 1HD LYS 10 12.287 25.196 -8.931 515 2HD LYS 10 2HD LYS 10 13.829 24.387 -9.210 516 1HE LYS 10 1HE LYS 10 12.233 23.248 -7.029 517 2HE LYS 10 2HE LYS 10 11.483 23.129 -8.621 518 1HZ LYS 10 1HZ LYS 10 12.870 21.202 -8.096 519 2HZ LYS 10 2HZ LYS 10 14.226 22.202 -7.957 520 3HZ LYS 10 3HZ LYS 10 13.450 22.034 -9.450 521 H THR 11 H THR 11 17.586 27.559 -7.426 522 HA THR 11 HA THR 11 17.279 30.469 -7.523 523 HB THR 11 HB THR 11 19.874 29.072 -8.044 524 HG1 THR 11 HG1 THR 11 18.825 29.560 -5.458 525 1HG2 THR 11 1HG2 THR 11 19.491 31.466 -6.313 526 2HG2 THR 11 2HG2 THR 11 19.461 31.633 -8.068 527 3HG2 THR 11 3HG2 THR 11 20.891 30.976 -7.270 528 H LEU 12 H LEU 12 15.953 30.396 -9.434 529 HA LEU 12 HA LEU 12 17.556 30.500 -11.846 530 1HB LEU 12 1HB LEU 12 15.508 28.411 -11.326 531 2HB LEU 12 2HB LEU 12 15.520 29.132 -12.923 532 HG LEU 12 HG LEU 12 18.058 28.045 -11.760 533 1HD1 LEU 12 1HD1 LEU 12 17.562 25.885 -12.809 534 2HD1 LEU 12 2HD1 LEU 12 15.928 26.443 -13.169 535 3HD1 LEU 12 3HD1 LEU 12 16.445 26.253 -11.494 536 1HD2 LEU 12 1HD2 LEU 12 18.410 27.569 -14.226 537 2HD2 LEU 12 2HD2 LEU 12 18.382 29.266 -13.750 538 3HD2 LEU 12 3HD2 LEU 12 16.969 28.542 -14.517 539 H LYS 13 H LYS 13 15.891 31.012 -13.765 540 HA LYS 13 HA LYS 13 14.521 32.580 -14.679 541 1HB LYS 13 1HB LYS 13 13.107 31.745 -12.205 542 2HB LYS 13 2HB LYS 13 12.540 33.218 -12.981 543 1HG LYS 13 1HG LYS 13 11.217 31.535 -13.895 544 2HG LYS 13 2HG LYS 13 12.443 31.840 -15.128 545 1HD LYS 13 1HD LYS 13 13.587 29.865 -14.652 546 2HD LYS 13 2HD LYS 13 12.838 29.706 -13.060 547 1HE LYS 13 1HE LYS 13 11.949 28.077 -14.670 548 2HE LYS 13 2HE LYS 13 10.705 29.181 -14.083 549 1HZ LYS 13 1HZ LYS 13 11.060 28.627 -16.647 550 2HZ LYS 13 2HZ LYS 13 12.083 29.968 -16.521 551 3HZ LYS 13 3HZ LYS 13 10.450 30.109 -16.106 552 H GLY 14 H GLY 14 15.493 34.487 -14.957 553 1HA GLY 14 1HA GLY 14 16.548 36.073 -12.860 554 2HA GLY 14 2HA GLY 14 16.326 36.587 -14.526 555 H GLU 15 H GLU 15 15.169 36.795 -11.322 556 HA GLU 15 HA GLU 15 13.203 38.772 -12.157 557 1HB GLU 15 1HB GLU 15 12.550 36.178 -10.859 558 2HB GLU 15 2HB GLU 15 11.682 37.598 -10.297 559 1HG GLU 15 1HG GLU 15 10.813 38.022 -12.476 560 2HG GLU 15 2HG GLU 15 11.844 36.776 -13.185 561 H THR 16 H THR 16 12.066 39.544 -9.927 562 HA THR 16 HA THR 16 14.057 40.922 -8.523 563 HB THR 16 HB THR 16 11.744 41.714 -8.682 564 HG1 THR 16 HG1 THR 16 12.587 42.684 -6.988 565 1HG2 THR 16 1HG2 THR 16 10.760 39.367 -8.298 566 2HG2 THR 16 2HG2 THR 16 9.918 40.767 -7.634 567 3HG2 THR 16 3HG2 THR 16 10.913 39.758 -6.585 568 H THR 17 H THR 17 14.374 40.841 -6.126 569 HA THR 17 HA THR 17 15.401 38.343 -5.358 570 HB THR 17 HB THR 17 15.373 39.511 -3.008 571 HG1 THR 17 HG1 THR 17 15.175 41.756 -3.188 572 1HG2 THR 17 1HG2 THR 17 17.241 39.418 -4.926 573 2HG2 THR 17 2HG2 THR 17 17.444 40.285 -3.403 574 3HG2 THR 17 3HG2 THR 17 16.960 41.157 -4.856 575 H THR 18 H THR 18 12.917 40.083 -3.505 576 HA THR 18 HA THR 18 11.252 39.311 -2.146 577 HB THR 18 HB THR 18 10.198 39.327 -4.373 578 HG1 THR 18 HG1 THR 18 8.453 38.427 -3.594 579 1HG2 THR 18 1HG2 THR 18 9.747 37.101 -5.443 580 2HG2 THR 18 2HG2 THR 18 11.069 36.458 -4.469 581 3HG2 THR 18 3HG2 THR 18 11.380 37.737 -5.644 582 H GLU 19 H GLU 19 9.917 36.925 -1.872 583 HA GLU 19 HA GLU 19 11.666 35.468 -0.201 584 1HB GLU 19 1HB GLU 19 8.878 34.989 -1.216 585 2HB GLU 19 2HB GLU 19 9.705 33.777 -0.245 586 1HG GLU 19 1HG GLU 19 10.104 35.908 1.311 587 2HG GLU 19 2HG GLU 19 8.604 36.405 0.528 588 H ALA 20 H ALA 20 11.479 32.880 -0.477 589 HA ALA 20 HA ALA 20 12.081 32.108 -3.226 590 1HB ALA 20 1HB ALA 20 14.225 31.220 -2.760 591 2HB ALA 20 2HB ALA 20 14.028 31.464 -1.024 592 3HB ALA 20 3HB ALA 20 14.212 32.853 -2.095 593 H VAL 21 H VAL 21 9.860 31.465 -1.633 594 HA VAL 21 HA VAL 21 8.613 29.731 -0.805 595 HB VAL 21 HB VAL 21 10.353 28.067 -2.627 596 1HG1 VAL 21 1HG1 VAL 21 7.539 27.720 -1.606 597 2HG1 VAL 21 2HG1 VAL 21 8.936 26.701 -1.259 598 3HG1 VAL 21 3HG1 VAL 21 8.259 26.745 -2.887 599 1HG2 VAL 21 1HG2 VAL 21 8.051 29.901 -3.230 600 2HG2 VAL 21 2HG2 VAL 21 8.485 28.562 -4.294 601 3HG2 VAL 21 3HG2 VAL 21 9.648 29.851 -3.980 602 H ASP 22 H ASP 22 9.644 29.999 1.313 603 HA ASP 22 HA ASP 22 11.612 27.944 2.015 604 1HB ASP 22 1HB ASP 22 12.017 30.313 2.669 605 2HB ASP 22 2HB ASP 22 10.576 30.247 3.679 606 H ALA 23 H ALA 23 11.279 26.367 3.435 607 HA ALA 23 HA ALA 23 8.818 25.202 3.774 608 1HB ALA 23 1HB ALA 23 10.008 23.590 4.761 609 2HB ALA 23 2HB ALA 23 10.639 24.684 5.992 610 3HB ALA 23 3HB ALA 23 11.409 24.601 4.407 611 H ALA 24 H ALA 24 10.474 27.444 5.963 612 HA ALA 24 HA ALA 24 8.577 27.307 8.062 613 1HB ALA 24 1HB ALA 24 10.458 29.570 7.408 614 2HB ALA 24 2HB ALA 24 10.886 28.135 8.340 615 3HB ALA 24 3HB ALA 24 9.677 29.260 8.959 616 H THR 25 H THR 25 8.769 29.188 5.123 617 HA THR 25 HA THR 25 6.898 31.190 5.778 618 HB THR 25 HB THR 25 7.880 30.047 3.166 619 HG1 THR 25 HG1 THR 25 9.182 31.720 3.194 620 1HG2 THR 25 1HG2 THR 25 6.176 30.926 2.064 621 2HG2 THR 25 2HG2 THR 25 6.831 32.500 2.522 622 3HG2 THR 25 3HG2 THR 25 5.566 31.755 3.499 623 H PHE 26 H PHE 26 6.535 27.991 4.342 624 HA PHE 26 HA PHE 26 3.758 28.210 3.783 625 1HB PHE 26 1HB PHE 26 5.353 26.496 2.810 626 2HB PHE 26 2HB PHE 26 5.243 25.642 4.348 627 HD1 PHE 26 HD1 PHE 26 3.348 26.734 1.382 628 HD2 PHE 26 HD2 PHE 26 3.346 24.331 4.895 629 HE1 PHE 26 HE1 PHE 26 1.311 25.597 0.599 630 HE2 PHE 26 HE2 PHE 26 1.310 23.189 4.118 631 HZ PHE 26 HZ PHE 26 0.290 23.822 1.968 632 H GLU 27 H GLU 27 5.561 26.805 6.483 633 HA GLU 27 HA GLU 27 3.471 25.764 7.963 634 1HB GLU 27 1HB GLU 27 5.955 25.521 8.370 635 2HB GLU 27 2HB GLU 27 5.902 27.095 9.152 636 1HG GLU 27 1HG GLU 27 3.907 25.815 10.453 637 2HG GLU 27 2HG GLU 27 4.998 24.474 10.107 638 H LYS 28 H LYS 28 4.893 29.022 8.258 639 HA LYS 28 HA LYS 28 3.147 29.876 10.296 640 1HB LYS 28 1HB LYS 28 5.362 30.896 9.701 641 2HB LYS 28 2HB LYS 28 4.582 31.633 8.307 642 1HG LYS 28 1HG LYS 28 2.950 32.647 10.004 643 2HG LYS 28 2HG LYS 28 4.150 32.196 11.215 644 1HD LYS 28 1HD LYS 28 4.844 33.815 8.778 645 2HD LYS 28 2HD LYS 28 4.296 34.557 10.282 646 1HE LYS 28 1HE LYS 28 6.170 33.748 11.474 647 2HE LYS 28 2HE LYS 28 6.618 32.649 10.170 648 1HZ LYS 28 1HZ LYS 28 7.994 34.704 10.340 649 2HZ LYS 28 2HZ LYS 28 6.633 35.601 9.888 650 3HZ LYS 28 3HZ LYS 28 7.286 34.462 8.822 651 H VAL 29 H VAL 29 3.014 30.363 6.762 652 HA VAL 29 HA VAL 29 0.780 32.059 6.761 653 HB VAL 29 HB VAL 29 1.671 30.139 4.604 654 1HG1 VAL 29 1HG1 VAL 29 0.440 31.555 3.057 655 2HG1 VAL 29 2HG1 VAL 29 -0.087 32.586 4.386 656 3HG1 VAL 29 3HG1 VAL 29 -0.648 30.914 4.291 657 1HG2 VAL 29 1HG2 VAL 29 2.220 33.024 4.382 658 2HG2 VAL 29 2HG2 VAL 29 3.218 31.639 3.939 659 3HG2 VAL 29 3HG2 VAL 29 3.133 32.163 5.621 660 H VAL 30 H VAL 30 0.995 28.525 6.590 661 HA VAL 30 HA VAL 30 -1.761 28.124 6.077 662 HB VAL 30 HB VAL 30 0.147 26.161 7.353 663 1HG1 VAL 30 1HG1 VAL 30 -2.387 25.697 5.780 664 2HG1 VAL 30 2HG1 VAL 30 -2.232 25.554 7.531 665 3HG1 VAL 30 3HG1 VAL 30 -1.343 24.456 6.474 666 1HG2 VAL 30 1HG2 VAL 30 0.559 27.326 4.954 667 2HG2 VAL 30 2HG2 VAL 30 -0.467 25.971 4.477 668 3HG2 VAL 30 3HG2 VAL 30 1.043 25.674 5.339 669 H LYS 31 H LYS 31 0.111 27.983 9.122 670 HA LYS 31 HA LYS 31 -2.052 27.252 10.749 671 1HB LYS 31 1HB LYS 31 0.283 27.077 11.467 672 2HB LYS 31 2HB LYS 31 0.440 28.826 11.428 673 1HG LYS 31 1HG LYS 31 -0.749 29.117 13.358 674 2HG LYS 31 2HG LYS 31 -1.672 27.628 13.144 675 1HD LYS 31 1HD LYS 31 1.264 27.741 13.824 676 2HD LYS 31 2HD LYS 31 -0.029 27.521 15.005 677 1HE LYS 31 1HE LYS 31 -0.704 25.562 13.365 678 2HE LYS 31 2HE LYS 31 1.003 25.649 12.935 679 1HZ LYS 31 1HZ LYS 31 1.370 25.554 15.460 680 2HZ LYS 31 2HZ LYS 31 0.959 24.125 14.654 681 3HZ LYS 31 3HZ LYS 31 -0.216 24.969 15.532 682 H GLN 32 H GLN 32 -0.723 30.427 9.909 683 HA GLN 32 HA GLN 32 -2.503 31.923 11.516 684 1HB GLN 32 1HB GLN 32 -0.339 32.762 10.590 685 2HB GLN 32 2HB GLN 32 -1.094 32.833 9.004 686 1HG GLN 32 1HG GLN 32 -1.064 35.019 10.024 687 2HG GLN 32 2HG GLN 32 -2.723 34.446 9.854 688 1HE2 GLN 32 1HE2 GLN 32 -0.082 34.901 12.122 689 2HE2 GLN 32 2HE2 GLN 32 -1.064 34.984 13.540 690 H PHE 33 H PHE 33 -2.661 30.872 8.110 691 HA PHE 33 HA PHE 33 -4.974 32.359 7.483 692 1HB PHE 33 1HB PHE 33 -3.720 31.801 5.634 693 2HB PHE 33 2HB PHE 33 -3.366 30.190 6.225 694 HD1 PHE 33 HD1 PHE 33 -6.488 32.055 5.285 695 HD2 PHE 33 HD2 PHE 33 -4.091 28.564 4.883 696 HE1 PHE 33 HE1 PHE 33 -8.149 31.092 3.738 697 HE2 PHE 33 HE2 PHE 33 -5.748 27.589 3.350 698 HZ PHE 33 HZ PHE 33 -7.780 28.850 2.775 699 H PHE 34 H PHE 34 -4.544 28.923 8.347 700 HA PHE 34 HA PHE 34 -7.365 28.476 8.234 701 1HB PHE 34 1HB PHE 34 -5.017 26.763 8.858 702 2HB PHE 34 2HB PHE 34 -6.626 26.215 9.335 703 HD1 PHE 34 HD1 PHE 34 -4.279 26.284 6.699 704 HD2 PHE 34 HD2 PHE 34 -8.457 26.417 7.499 705 HE1 PHE 34 HE1 PHE 34 -4.747 25.599 4.378 706 HE2 PHE 34 HE2 PHE 34 -8.931 25.729 5.190 707 HZ PHE 34 HZ PHE 34 -7.080 25.327 3.621 708 H ASN 35 H ASN 35 -5.148 29.263 10.831 709 HA ASN 35 HA ASN 35 -6.684 28.452 13.010 710 1HB ASN 35 1HB ASN 35 -4.677 30.634 12.621 711 2HB ASN 35 2HB ASN 35 -5.602 30.585 14.117 712 1HD2 ASN 35 1HD2 ASN 35 -4.688 27.668 12.381 713 2HD2 ASN 35 2HD2 ASN 35 -3.542 27.120 13.550 714 H ASP 36 H ASP 36 -7.095 31.166 10.880 715 HA ASP 36 HA ASP 36 -8.871 32.709 12.410 716 1HB ASP 36 1HB ASP 36 -8.329 32.463 9.471 717 2HB ASP 36 2HB ASP 36 -9.653 33.471 10.048 718 H ASN 37 H ASN 37 -9.332 29.680 10.895 719 HA ASN 37 HA ASN 37 -12.256 30.014 10.889 720 1HB ASN 37 1HB ASN 37 -10.854 27.590 9.802 721 2HB ASN 37 2HB ASN 37 -12.440 28.228 9.387 722 1HD2 ASN 37 1HD2 ASN 37 -9.281 27.966 8.449 723 2HD2 ASN 37 2HD2 ASN 37 -9.246 29.205 7.243 724 H GLY 38 H GLY 38 -9.695 28.476 12.619 725 1HA GLY 38 1HA GLY 38 -10.467 27.780 14.896 726 2HA GLY 38 2HA GLY 38 -11.688 26.837 14.059 727 H VAL 39 H VAL 39 -8.612 26.885 12.520 728 HA VAL 39 HA VAL 39 -8.236 24.085 13.221 729 HB VAL 39 HB VAL 39 -6.602 25.785 11.328 730 1HG1 VAL 39 1HG1 VAL 39 -6.638 22.883 12.020 731 2HG1 VAL 39 2HG1 VAL 39 -5.268 23.954 11.729 732 3HG1 VAL 39 3HG1 VAL 39 -6.233 23.370 10.374 733 1HG2 VAL 39 1HG2 VAL 39 -9.098 24.179 10.918 734 2HG2 VAL 39 2HG2 VAL 39 -7.951 24.422 9.600 735 3HG2 VAL 39 3HG2 VAL 39 -8.719 25.811 10.366 736 H ASP 40 H ASP 40 -6.445 23.272 14.321 737 HA ASP 40 HA ASP 40 -4.318 25.044 15.143 738 1HB ASP 40 1HB ASP 40 -6.207 23.863 17.191 739 2HB ASP 40 2HB ASP 40 -4.686 24.667 17.565 740 H GLY 41 H GLY 41 -3.024 23.722 16.984 741 1HA GLY 41 1HA GLY 41 -2.457 21.396 17.625 742 2HA GLY 41 2HA GLY 41 -2.743 20.966 15.945 743 H GLU 42 H GLU 42 -0.701 20.163 15.535 744 HA GLU 42 HA GLU 42 1.351 22.187 15.154 745 1HB GLU 42 1HB GLU 42 1.642 19.822 16.985 746 2HB GLU 42 2HB GLU 42 3.043 20.528 16.190 747 1HG GLU 42 1HG GLU 42 2.237 22.749 17.187 748 2HG GLU 42 2HG GLU 42 1.230 21.750 18.232 749 H TRP 43 H TRP 43 3.065 21.503 13.746 750 HA TRP 43 HA TRP 43 2.132 19.816 11.643 751 1HB TRP 43 1HB TRP 43 4.683 21.335 12.117 752 2HB TRP 43 2HB TRP 43 4.495 20.264 10.730 753 HD1 TRP 43 HD1 TRP 43 3.378 23.635 12.082 754 HE1 TRP 43 HE1 TRP 43 2.142 24.915 10.228 755 HE3 TRP 43 HE3 TRP 43 3.019 19.891 8.620 756 HZ2 TRP 43 HZ2 TRP 43 1.138 24.403 7.634 757 HZ3 TRP 43 HZ3 TRP 43 1.905 20.367 6.479 758 HH2 TRP 43 HH2 TRP 43 0.984 22.577 5.997 759 H THR 44 H THR 44 2.291 17.729 11.486 760 HA THR 44 HA THR 44 4.397 16.345 13.004 761 HB THR 44 HB THR 44 2.911 14.382 13.002 762 HG1 THR 44 HG1 THR 44 1.563 14.488 11.363 763 1HG2 THR 44 1HG2 THR 44 1.379 16.769 13.993 764 2HG2 THR 44 2HG2 THR 44 2.737 16.041 14.849 765 3HG2 THR 44 3HG2 THR 44 1.271 15.104 14.563 766 H TYR 45 H TYR 45 5.691 14.935 11.985 767 HA TYR 45 HA TYR 45 5.958 15.136 9.156 768 1HB TYR 45 1HB TYR 45 7.355 13.550 11.287 769 2HB TYR 45 2HB TYR 45 7.658 13.205 9.586 770 HD1 TYR 45 HD1 TYR 45 8.281 15.478 12.337 771 HD2 TYR 45 HD2 TYR 45 8.644 14.963 8.130 772 HE1 TYR 45 HE1 TYR 45 9.913 17.315 12.259 773 HE2 TYR 45 HE2 TYR 45 10.278 16.798 8.040 774 HH TYR 45 HH TYR 45 10.794 18.876 9.496 775 H ASP 46 H ASP 46 5.518 13.650 7.555 776 HA ASP 46 HA ASP 46 3.321 11.900 8.027 777 1HB ASP 46 1HB ASP 46 5.098 12.124 5.585 778 2HB ASP 46 2HB ASP 46 3.531 11.324 5.651 779 H ASP 47 H ASP 47 3.295 9.593 7.536 780 HA ASP 47 HA ASP 47 5.319 8.185 8.918 781 1HB ASP 47 1HB ASP 47 4.126 6.150 8.146 782 2HB ASP 47 2HB ASP 47 3.042 7.345 8.855 783 H ALA 48 H ALA 48 7.145 7.221 8.243 784 HA ALA 48 HA ALA 48 8.348 7.837 5.826 785 1HB ALA 48 1HB ALA 48 9.315 6.875 8.051 786 2HB ALA 48 2HB ALA 48 10.125 6.552 6.517 787 3HB ALA 48 3HB ALA 48 9.092 5.322 7.246 788 H THR 49 H THR 49 8.604 6.830 3.888 789 HA THR 49 HA THR 49 7.182 4.307 3.426 790 HB THR 49 HB THR 49 6.981 6.670 1.556 791 HG1 THR 49 HG1 THR 49 5.782 7.268 3.273 792 1HG2 THR 49 1HG2 THR 49 5.419 4.102 1.670 793 2HG2 THR 49 2HG2 THR 49 6.627 4.536 0.459 794 3HG2 THR 49 3HG2 THR 49 5.121 5.450 0.571 795 H LYS 50 H LYS 50 7.886 3.164 1.501 796 HA LYS 50 HA LYS 50 10.595 3.956 0.645 797 1HB LYS 50 1HB LYS 50 9.498 1.317 1.504 798 2HB LYS 50 2HB LYS 50 10.756 1.341 0.275 799 1HG LYS 50 1HG LYS 50 12.320 2.293 1.730 800 2HG LYS 50 2HG LYS 50 11.077 2.785 2.883 801 1HD LYS 50 1HD LYS 50 10.654 0.141 2.891 802 2HD LYS 50 2HD LYS 50 12.371 0.153 2.486 803 1HE LYS 50 1HE LYS 50 12.867 1.456 4.459 804 2HE LYS 50 2HE LYS 50 11.149 1.594 4.836 805 1HZ LYS 50 1HZ LYS 50 12.230 -1.100 4.553 806 2HZ LYS 50 2HZ LYS 50 11.057 -0.511 5.621 807 3HZ LYS 50 3HZ LYS 50 12.697 -0.233 5.930 808 H THR 51 H THR 51 10.887 4.225 -1.452 809 HA THR 51 HA THR 51 8.885 3.125 -3.314 810 HB THR 51 HB THR 51 10.475 5.698 -3.457 811 HG1 THR 51 HG1 THR 51 7.731 5.090 -3.168 812 1HG2 THR 51 1HG2 THR 51 10.305 4.774 -5.710 813 2HG2 THR 51 2HG2 THR 51 9.295 6.207 -5.518 814 3HG2 THR 51 3HG2 THR 51 8.561 4.605 -5.510 815 H PHE 52 H PHE 52 9.589 1.795 -4.887 816 HA PHE 52 HA PHE 52 12.381 1.067 -4.943 817 1HB PHE 52 1HB PHE 52 10.438 -0.566 -5.120 818 2HB PHE 52 2HB PHE 52 10.213 0.023 -6.764 819 HD1 PHE 52 HD1 PHE 52 12.688 -1.571 -4.510 820 HD2 PHE 52 HD2 PHE 52 11.474 -0.838 -8.522 821 HE1 PHE 52 HE1 PHE 52 14.385 -3.163 -5.311 822 HE2 PHE 52 HE2 PHE 52 13.168 -2.428 -9.329 823 HZ PHE 52 HZ PHE 52 14.626 -3.594 -7.723 824 H THR 53 H THR 53 13.859 1.942 -6.221 825 HA THR 53 HA THR 53 12.991 3.519 -8.532 826 HB THR 53 HB THR 53 15.688 3.344 -7.165 827 HG1 THR 53 HG1 THR 53 13.889 4.427 -6.058 828 1HG2 THR 53 1HG2 THR 53 14.770 5.239 -9.314 829 2HG2 THR 53 2HG2 THR 53 15.978 3.968 -9.494 830 3HG2 THR 53 3HG2 THR 53 16.290 5.337 -8.427 831 H VAL 54 H VAL 54 13.101 2.671 -10.512 832 HA VAL 54 HA VAL 54 14.209 0.089 -10.964 833 HB VAL 54 HB VAL 54 13.474 2.018 -13.152 834 1HG1 VAL 54 1HG1 VAL 54 14.445 0.080 -14.040 835 2HG1 VAL 54 2HG1 VAL 54 12.708 -0.182 -14.190 836 3HG1 VAL 54 3HG1 VAL 54 13.609 -0.968 -12.894 837 1HG2 VAL 54 1HG2 VAL 54 11.649 0.403 -11.388 838 2HG2 VAL 54 2HG2 VAL 54 11.175 0.956 -12.993 839 3HG2 VAL 54 3HG2 VAL 54 11.581 2.129 -11.741 840 H THR 55 H THR 55 15.872 -0.470 -12.467 841 HA THR 55 HA THR 55 17.765 1.602 -13.217 842 HB THR 55 HB THR 55 18.586 -0.733 -11.481 843 HG1 THR 55 HG1 THR 55 18.496 2.042 -10.908 844 1HG2 THR 55 1HG2 THR 55 20.758 0.438 -11.353 845 2HG2 THR 55 2HG2 THR 55 20.200 1.535 -12.618 846 3HG2 THR 55 3HG2 THR 55 20.384 -0.186 -12.962 847 H GLU 56 H GLU 56 17.872 -1.929 -12.898 848 HA GLU 56 HA GLU 56 18.653 -2.094 -15.720 849 1HB GLU 56 1HB GLU 56 19.040 -3.890 -13.351 850 2HB GLU 56 2HB GLU 56 19.126 -4.555 -14.976 851 1HG GLU 56 1HG GLU 56 20.837 -2.730 -15.452 852 2HG GLU 56 2HG GLU 56 20.895 -2.497 -13.705 853 1H MET 1 1H MET 1 4.759 -1.069 8.050 854 2H MET 1 2H MET 1 4.024 0.445 8.383 855 3H MET 1 3H MET 1 5.458 -0.015 9.206 856 HA MET 1 HA MET 1 5.961 1.567 7.542 857 1HB MET 1 1HB MET 1 6.864 -1.259 7.384 858 2HB MET 1 2HB MET 1 7.358 -0.196 6.072 859 1HG MET 1 1HG MET 1 7.745 0.841 8.804 860 2HG MET 1 2HG MET 1 8.758 -0.522 8.330 861 1HE MET 1 1HE MET 1 8.573 3.283 5.736 862 2HE MET 1 2HE MET 1 7.401 2.919 7.003 863 3HE MET 1 3HE MET 1 7.479 1.910 5.558 864 H GLN 2 H GLN 2 5.395 2.517 5.696 865 HA GLN 2 HA GLN 2 3.435 1.201 3.995 866 1HB GLN 2 1HB GLN 2 3.344 3.645 4.869 867 2HB GLN 2 2HB GLN 2 4.478 3.984 3.569 868 1HG GLN 2 1HG GLN 2 2.926 3.671 1.941 869 2HG GLN 2 2HG GLN 2 2.014 2.491 2.882 870 1HE2 GLN 2 1HE2 GLN 2 2.936 5.917 3.069 871 2HE2 GLN 2 2HE2 GLN 2 1.382 6.484 3.565 872 H TYR 3 H TYR 3 3.963 0.171 2.199 873 HA TYR 3 HA TYR 3 6.571 0.730 0.968 874 1HB TYR 3 1HB TYR 3 4.860 -1.728 1.102 875 2HB TYR 3 2HB TYR 3 6.034 -1.545 -0.196 876 HD1 TYR 3 HD1 TYR 3 5.568 -2.119 3.378 877 HD2 TYR 3 HD2 TYR 3 8.431 -1.514 0.292 878 HE1 TYR 3 HE1 TYR 3 7.340 -2.944 4.870 879 HE2 TYR 3 HE2 TYR 3 10.213 -2.337 1.773 880 HH TYR 3 HH TYR 3 10.503 -2.443 4.419 881 H LYS 4 H LYS 4 6.701 1.577 -0.965 882 HA LYS 4 HA LYS 4 4.233 1.897 -2.537 883 1HB LYS 4 1HB LYS 4 6.606 3.609 -2.083 884 2HB LYS 4 2HB LYS 4 5.937 3.633 -3.709 885 1HG LYS 4 1HG LYS 4 3.675 4.012 -2.485 886 2HG LYS 4 2HG LYS 4 4.701 4.512 -1.139 887 1HD LYS 4 1HD LYS 4 5.868 6.009 -2.902 888 2HD LYS 4 2HD LYS 4 4.406 5.744 -3.856 889 1HE LYS 4 1HE LYS 4 3.043 6.799 -2.268 890 2HE LYS 4 2HE LYS 4 4.271 6.681 -1.008 891 1HZ LYS 4 1HZ LYS 4 3.948 8.938 -2.026 892 2HZ LYS 4 2HZ LYS 4 4.636 8.326 -3.445 893 3HZ LYS 4 3HZ LYS 4 5.541 8.368 -2.017 894 H VAL 5 H VAL 5 4.051 1.072 -4.517 895 HA VAL 5 HA VAL 5 6.434 0.152 -5.947 896 HB VAL 5 HB VAL 5 4.040 -1.650 -5.590 897 1HG1 VAL 5 1HG1 VAL 5 6.771 -2.074 -6.790 898 2HG1 VAL 5 2HG1 VAL 5 5.225 -2.060 -7.639 899 3HG1 VAL 5 3HG1 VAL 5 5.597 -3.357 -6.503 900 1HG2 VAL 5 1HG2 VAL 5 5.555 -3.022 -4.154 901 2HG2 VAL 5 2HG2 VAL 5 5.080 -1.480 -3.440 902 3HG2 VAL 5 3HG2 VAL 5 6.685 -1.668 -4.146 903 H ILE 6 H ILE 6 6.335 0.700 -8.048 904 HA ILE 6 HA ILE 6 3.751 1.593 -9.103 905 HB ILE 6 HB ILE 6 6.482 2.073 -10.292 906 1HG1 ILE 6 1HG1 ILE 6 4.859 4.019 -8.649 907 2HG1 ILE 6 2HG1 ILE 6 6.138 3.026 -7.960 908 1HG2 ILE 6 1HG2 ILE 6 4.466 2.245 -11.775 909 2HG2 ILE 6 2HG2 ILE 6 5.421 3.721 -11.641 910 3HG2 ILE 6 3HG2 ILE 6 3.908 3.566 -10.749 911 1HD1 ILE 6 1HD1 ILE 6 7.248 4.981 -8.386 912 2HD1 ILE 6 2HD1 ILE 6 6.324 5.316 -9.851 913 3HD1 ILE 6 3HD1 ILE 6 7.579 4.075 -9.862 914 H LEU 7 H LEU 7 2.672 0.230 -10.365 915 HA LEU 7 HA LEU 7 4.174 -1.791 -11.885 916 1HB LEU 7 1HB LEU 7 1.498 -1.747 -10.609 917 2HB LEU 7 2HB LEU 7 1.613 -2.600 -12.138 918 HG LEU 7 HG LEU 7 3.764 -3.622 -10.797 919 1HD1 LEU 7 1HD1 LEU 7 1.626 -3.604 -8.713 920 2HD1 LEU 7 2HD1 LEU 7 2.805 -2.296 -8.784 921 3HD1 LEU 7 3HD1 LEU 7 3.344 -3.959 -8.555 922 1HD2 LEU 7 1HD2 LEU 7 2.069 -4.874 -12.060 923 2HD2 LEU 7 2HD2 LEU 7 0.941 -4.685 -10.716 924 3HD2 LEU 7 3HD2 LEU 7 2.419 -5.624 -10.501 925 H ASN 8 H ASN 8 4.406 -1.463 -14.004 926 HA ASN 8 HA ASN 8 2.259 -0.338 -15.577 927 1HB ASN 8 1HB ASN 8 4.814 1.151 -15.060 928 2HB ASN 8 2HB ASN 8 3.953 1.360 -16.584 929 1HD2 ASN 8 1HD2 ASN 8 4.474 3.036 -14.076 930 2HD2 ASN 8 2HD2 ASN 8 2.920 3.696 -13.708 931 H GLY 9 H GLY 9 2.144 -1.687 -17.243 932 1HA GLY 9 1HA GLY 9 4.388 -3.264 -18.090 933 2HA GLY 9 2HA GLY 9 2.791 -3.243 -18.825 934 H LYS 10 H LYS 10 5.936 -2.660 -19.435 935 HA LYS 10 HA LYS 10 5.376 -0.488 -21.343 936 1HB LYS 10 1HB LYS 10 7.989 -1.409 -20.136 937 2HB LYS 10 2HB LYS 10 7.857 -0.182 -21.388 938 1HG LYS 10 1HG LYS 10 6.289 0.179 -18.891 939 2HG LYS 10 2HG LYS 10 8.031 0.458 -18.845 940 1HD LYS 10 1HD LYS 10 7.492 1.851 -21.033 941 2HD LYS 10 2HD LYS 10 5.900 1.953 -20.280 942 1HE LYS 10 1HE LYS 10 8.538 2.898 -19.190 943 2HE LYS 10 2HE LYS 10 7.106 3.857 -19.557 944 1HZ LYS 10 1HZ LYS 10 7.110 3.612 -17.248 945 2HZ LYS 10 2HZ LYS 10 7.520 1.973 -17.316 946 3HZ LYS 10 3HZ LYS 10 5.973 2.476 -17.780 947 H THR 11 H THR 11 7.037 -0.641 -23.268 948 HA THR 11 HA THR 11 7.481 -1.643 -25.258 949 HB THR 11 HB THR 11 8.713 -3.686 -25.187 950 HG1 THR 11 HG1 THR 11 7.685 -5.136 -24.024 951 1HG2 THR 11 1HG2 THR 11 10.251 -3.393 -23.271 952 2HG2 THR 11 2HG2 THR 11 9.163 -2.156 -22.640 953 3HG2 THR 11 3HG2 THR 11 9.967 -1.916 -24.191 954 H LEU 12 H LEU 12 7.059 -3.819 -26.560 955 HA LEU 12 HA LEU 12 4.367 -4.824 -25.985 956 1HB LEU 12 1HB LEU 12 4.455 -2.802 -27.624 957 2HB LEU 12 2HB LEU 12 5.076 -3.973 -28.771 958 HG LEU 12 HG LEU 12 2.478 -4.416 -27.325 959 1HD1 LEU 12 1HD1 LEU 12 1.630 -3.632 -29.719 960 2HD1 LEU 12 2HD1 LEU 12 3.078 -2.630 -29.611 961 3HD1 LEU 12 3HD1 LEU 12 1.827 -2.510 -28.372 962 1HD2 LEU 12 1HD2 LEU 12 3.788 -5.542 -29.784 963 2HD2 LEU 12 2HD2 LEU 12 2.068 -5.744 -29.449 964 3HD2 LEU 12 3HD2 LEU 12 3.268 -6.394 -28.330 965 H LYS 13 H LYS 13 4.870 -6.925 -25.692 966 HA LYS 13 HA LYS 13 6.136 -8.319 -27.944 967 1HB LYS 13 1HB LYS 13 6.917 -8.434 -25.050 968 2HB LYS 13 2HB LYS 13 7.168 -9.833 -26.087 969 1HG LYS 13 1HG LYS 13 8.347 -8.110 -27.648 970 2HG LYS 13 2HG LYS 13 8.472 -7.155 -26.171 971 1HD LYS 13 1HD LYS 13 9.879 -8.666 -25.151 972 2HD LYS 13 2HD LYS 13 9.290 -10.022 -26.115 973 1HE LYS 13 1HE LYS 13 10.801 -9.674 -27.735 974 2HE LYS 13 2HE LYS 13 10.581 -7.925 -27.693 975 1HZ LYS 13 1HZ LYS 13 12.016 -9.219 -25.485 976 2HZ LYS 13 2HZ LYS 13 12.205 -7.666 -26.128 977 3HZ LYS 13 3HZ LYS 13 12.821 -9.004 -26.957 978 H GLY 14 H GLY 14 5.513 -10.499 -28.216 979 1HA GLY 14 1HA GLY 14 2.853 -11.050 -27.163 980 2HA GLY 14 2HA GLY 14 3.654 -11.905 -28.472 981 H GLU 15 H GLU 15 2.996 -11.817 -25.107 982 HA GLU 15 HA GLU 15 4.813 -14.059 -24.591 983 1HB GLU 15 1HB GLU 15 3.589 -11.943 -22.937 984 2HB GLU 15 2HB GLU 15 3.673 -13.527 -22.178 985 1HG GLU 15 1HG GLU 15 5.687 -12.759 -21.527 986 2HG GLU 15 2HG GLU 15 6.167 -13.383 -23.103 987 H THR 16 H THR 16 3.668 -15.498 -22.696 988 HA THR 16 HA THR 16 1.617 -16.927 -24.092 989 HB THR 16 HB THR 16 2.352 -17.455 -21.231 990 HG1 THR 16 HG1 THR 16 4.198 -18.506 -21.920 991 1HG2 THR 16 1HG2 THR 16 2.377 -19.833 -22.212 992 2HG2 THR 16 2HG2 THR 16 1.488 -19.115 -23.556 993 3HG2 THR 16 3HG2 THR 16 0.827 -19.043 -21.924 994 H THR 17 H THR 17 1.745 -14.788 -21.304 995 HA THR 17 HA THR 17 -1.191 -14.672 -21.341 996 HB THR 17 HB THR 17 0.201 -14.397 -18.720 997 HG1 THR 17 HG1 THR 17 0.105 -16.648 -18.430 998 1HG2 THR 17 1HG2 THR 17 -1.791 -14.928 -17.784 999 2HG2 THR 17 2HG2 THR 17 -2.264 -15.985 -19.113 1000 3HG2 THR 17 3HG2 THR 17 -2.371 -14.235 -19.298 1001 H THR 18 H THR 18 1.504 -13.131 -19.583 1002 HA THR 18 HA THR 18 0.975 -10.593 -20.846 1003 HB THR 18 HB THR 18 0.630 -9.422 -18.644 1004 HG1 THR 18 HG1 THR 18 0.405 -10.540 -16.864 1005 1HG2 THR 18 1HG2 THR 18 -1.580 -11.394 -19.069 1006 2HG2 THR 18 2HG2 THR 18 -1.258 -10.098 -20.220 1007 3HG2 THR 18 3HG2 THR 18 -1.675 -9.710 -18.551 1008 H GLU 19 H GLU 19 2.366 -11.336 -17.659 1009 HA GLU 19 HA GLU 19 4.449 -11.008 -16.800 1010 1HB GLU 19 1HB GLU 19 5.062 -11.948 -19.588 1011 2HB GLU 19 2HB GLU 19 6.358 -11.520 -18.477 1012 1HG GLU 19 1HG GLU 19 5.111 -13.158 -16.866 1013 2HG GLU 19 2HG GLU 19 4.435 -13.791 -18.366 1014 H ALA 20 H ALA 20 3.097 -8.698 -17.702 1015 HA ALA 20 HA ALA 20 5.397 -6.988 -18.359 1016 1HB ALA 20 1HB ALA 20 4.251 -7.048 -20.401 1017 2HB ALA 20 2HB ALA 20 3.723 -5.545 -19.642 1018 3HB ALA 20 3HB ALA 20 2.673 -6.962 -19.619 1019 H VAL 21 H VAL 21 4.582 -7.453 -15.773 1020 HA VAL 21 HA VAL 21 3.860 -6.471 -13.831 1021 HB VAL 21 HB VAL 21 4.470 -3.914 -15.317 1022 1HG1 VAL 21 1HG1 VAL 21 4.471 -4.629 -12.389 1023 2HG1 VAL 21 2HG1 VAL 21 3.417 -3.478 -13.212 1024 3HG1 VAL 21 3HG1 VAL 21 5.139 -3.135 -13.048 1025 1HG2 VAL 21 1HG2 VAL 21 6.287 -5.931 -14.028 1026 2HG2 VAL 21 2HG2 VAL 21 6.764 -4.247 -14.248 1027 3HG2 VAL 21 3HG2 VAL 21 6.376 -5.244 -15.651 1028 H ASP 22 H ASP 22 1.640 -7.182 -14.274 1029 HA ASP 22 HA ASP 22 -0.195 -5.078 -15.162 1030 1HB ASP 22 1HB ASP 22 -0.362 -7.358 -16.149 1031 2HB ASP 22 2HB ASP 22 -0.770 -7.984 -14.554 1032 H ALA 23 H ALA 23 -1.736 -4.204 -13.944 1033 HA ALA 23 HA ALA 23 -1.433 -3.848 -11.240 1034 1HB ALA 23 1HB ALA 23 -3.142 -2.430 -11.500 1035 2HB ALA 23 2HB ALA 23 -4.214 -3.693 -12.107 1036 3HB ALA 23 3HB ALA 23 -3.083 -2.893 -13.200 1037 H ALA 24 H ALA 24 -3.464 -6.233 -12.897 1038 HA ALA 24 HA ALA 24 -4.702 -7.273 -10.572 1039 1HB ALA 24 1HB ALA 24 -4.248 -8.663 -13.209 1040 2HB ALA 24 2HB ALA 24 -5.586 -7.568 -12.860 1041 3HB ALA 24 3HB ALA 24 -5.439 -9.089 -11.981 1042 H THR 25 H THR 25 -1.670 -7.944 -12.178 1043 HA THR 25 HA THR 25 -1.101 -10.435 -10.993 1044 HB THR 25 HB THR 25 0.623 -8.271 -12.192 1045 HG1 THR 25 HG1 THR 25 0.524 -9.483 -13.927 1046 1HG2 THR 25 1HG2 THR 25 2.440 -9.108 -11.249 1047 2HG2 THR 25 2HG2 THR 25 2.173 -10.535 -12.254 1048 3HG2 THR 25 3HG2 THR 25 1.567 -10.497 -10.597 1049 H PHE 26 H PHE 26 -0.448 -7.125 -9.969 1050 HA PHE 26 HA PHE 26 1.108 -7.801 -7.693 1051 1HB PHE 26 1HB PHE 26 0.994 -5.529 -8.814 1052 2HB PHE 26 2HB PHE 26 -0.555 -5.301 -8.010 1053 HD1 PHE 26 HD1 PHE 26 3.063 -5.742 -7.477 1054 HD2 PHE 26 HD2 PHE 26 -0.678 -4.746 -5.708 1055 HE1 PHE 26 HE1 PHE 26 4.233 -4.930 -5.469 1056 HE2 PHE 26 HE2 PHE 26 0.485 -3.931 -3.698 1057 HZ PHE 26 HZ PHE 26 2.943 -4.022 -3.578 1058 H GLU 27 H GLU 27 -2.313 -7.005 -8.112 1059 HA GLU 27 HA GLU 27 -3.143 -7.063 -5.475 1060 1HB GLU 27 1HB GLU 27 -4.464 -6.385 -7.523 1061 2HB GLU 27 2HB GLU 27 -4.773 -8.094 -7.792 1062 1HG GLU 27 1HG GLU 27 -5.533 -7.847 -5.211 1063 2HG GLU 27 2HG GLU 27 -5.930 -6.246 -5.831 1064 H LYS 28 H LYS 28 -3.138 -9.784 -7.781 1065 HA LYS 28 HA LYS 28 -4.136 -11.672 -5.946 1066 1HB LYS 28 1HB LYS 28 -4.157 -11.868 -8.447 1067 2HB LYS 28 2HB LYS 28 -2.441 -12.245 -8.374 1068 1HG LYS 28 1HG LYS 28 -3.124 -14.140 -6.787 1069 2HG LYS 28 2HG LYS 28 -4.761 -13.860 -7.384 1070 1HD LYS 28 1HD LYS 28 -2.429 -14.324 -9.227 1071 2HD LYS 28 2HD LYS 28 -3.395 -15.648 -8.572 1072 1HE LYS 28 1HE LYS 28 -5.352 -14.879 -9.654 1073 2HE LYS 28 2HE LYS 28 -4.613 -13.326 -10.044 1074 1HZ LYS 28 1HZ LYS 28 -4.770 -14.925 -11.931 1075 2HZ LYS 28 2HZ LYS 28 -3.649 -15.911 -11.134 1076 3HZ LYS 28 3HZ LYS 28 -3.205 -14.356 -11.629 1077 H VAL 29 H VAL 29 -0.787 -10.947 -6.946 1078 HA VAL 29 HA VAL 29 0.429 -13.024 -5.507 1079 HB VAL 29 HB VAL 29 1.589 -10.332 -6.243 1080 1HG1 VAL 29 1HG1 VAL 29 3.768 -11.389 -6.033 1081 2HG1 VAL 29 2HG1 VAL 29 3.010 -12.907 -5.551 1082 3HG1 VAL 29 3HG1 VAL 29 2.894 -11.491 -4.502 1083 1HG2 VAL 29 1HG2 VAL 29 2.284 -12.747 -7.780 1084 2HG2 VAL 29 2HG2 VAL 29 1.990 -11.097 -8.326 1085 3HG2 VAL 29 3HG2 VAL 29 0.632 -12.164 -7.974 1086 H VAL 30 H VAL 30 -0.343 -9.697 -4.554 1087 HA VAL 30 HA VAL 30 1.016 -9.819 -2.073 1088 HB VAL 30 HB VAL 30 -1.294 -8.009 -2.785 1089 1HG1 VAL 30 1HG1 VAL 30 0.926 -7.656 -0.772 1090 2HG1 VAL 30 2HG1 VAL 30 -0.738 -8.090 -0.386 1091 3HG1 VAL 30 3HG1 VAL 30 -0.380 -6.519 -1.102 1092 1HG2 VAL 30 1HG2 VAL 30 0.998 -8.158 -4.199 1093 2HG2 VAL 30 2HG2 VAL 30 1.476 -7.012 -2.945 1094 3HG2 VAL 30 3HG2 VAL 30 0.082 -6.668 -3.970 1095 H LYS 31 H LYS 31 -2.438 -10.277 -2.890 1096 HA LYS 31 HA LYS 31 -3.298 -10.678 -0.251 1097 1HB LYS 31 1HB LYS 31 -4.831 -10.204 -2.102 1098 2HB LYS 31 2HB LYS 31 -4.431 -11.746 -2.844 1099 1HG LYS 31 1HG LYS 31 -5.672 -12.949 -1.349 1100 2HG LYS 31 2HG LYS 31 -5.502 -11.743 -0.071 1101 1HD LYS 31 1HD LYS 31 -7.149 -11.369 -2.571 1102 2HD LYS 31 2HD LYS 31 -7.798 -11.881 -1.012 1103 1HE LYS 31 1HE LYS 31 -6.550 -9.708 -0.178 1104 2HE LYS 31 2HE LYS 31 -6.752 -9.228 -1.864 1105 1HZ LYS 31 1HZ LYS 31 -9.185 -9.910 -1.485 1106 2HZ LYS 31 2HZ LYS 31 -8.655 -8.435 -0.851 1107 3HZ LYS 31 3HZ LYS 31 -8.822 -9.779 0.162 1108 H GLN 32 H GLN 32 -2.258 -12.965 -2.750 1109 HA GLN 32 HA GLN 32 -2.702 -15.297 -1.216 1110 1HB GLN 32 1HB GLN 32 -2.447 -15.226 -3.701 1111 2HB GLN 32 2HB GLN 32 -0.728 -14.936 -3.473 1112 1HG GLN 32 1HG GLN 32 -1.135 -17.264 -3.964 1113 2HG GLN 32 2HG GLN 32 -0.521 -17.082 -2.321 1114 1HE2 GLN 32 1HE2 GLN 32 -3.412 -17.621 -4.239 1115 2HE2 GLN 32 2HE2 GLN 32 -4.315 -18.415 -2.998 1116 H PHE 33 H PHE 33 0.176 -13.225 -1.641 1117 HA PHE 33 HA PHE 33 1.929 -14.920 -0.228 1118 1HB PHE 33 1HB PHE 33 3.010 -13.486 -1.670 1119 2HB PHE 33 2HB PHE 33 1.963 -12.136 -1.285 1120 HD1 PHE 33 HD1 PHE 33 4.383 -14.263 0.646 1121 HD2 PHE 33 HD2 PHE 33 3.045 -10.376 -0.443 1122 HE1 PHE 33 HE1 PHE 33 6.143 -13.264 2.052 1123 HE2 PHE 33 HE2 PHE 33 4.790 -9.369 0.967 1124 HZ PHE 33 HZ PHE 33 6.341 -10.810 2.219 1125 H PHE 34 H PHE 34 0.171 -11.983 0.782 1126 HA PHE 34 HA PHE 34 1.182 -12.216 3.444 1127 1HB PHE 34 1HB PHE 34 -0.639 -10.305 2.076 1128 2HB PHE 34 2HB PHE 34 -0.619 -10.354 3.841 1129 HD1 PHE 34 HD1 PHE 34 0.930 -8.963 0.989 1130 HD2 PHE 34 HD2 PHE 34 1.741 -10.355 4.928 1131 HE1 PHE 34 HE1 PHE 34 3.025 -7.667 1.016 1132 HE2 PHE 34 HE2 PHE 34 3.829 -9.060 4.965 1133 HZ PHE 34 HZ PHE 34 4.482 -7.722 3.009 1134 H ASN 35 H ASN 35 -1.769 -13.280 1.883 1135 HA ASN 35 HA ASN 35 -3.372 -13.650 4.132 1136 1HB ASN 35 1HB ASN 35 -3.222 -15.022 1.479 1137 2HB ASN 35 2HB ASN 35 -4.247 -15.706 2.734 1138 1HD2 ASN 35 1HD2 ASN 35 -3.715 -12.245 2.427 1139 2HD2 ASN 35 2HD2 ASN 35 -5.314 -11.867 1.897 1140 H ASP 36 H ASP 36 -0.652 -15.495 3.005 1141 HA ASP 36 HA ASP 36 -1.016 -17.844 4.499 1142 1HB ASP 36 1HB ASP 36 1.375 -16.492 3.295 1143 2HB ASP 36 2HB ASP 36 1.578 -17.921 4.304 1144 H ASN 37 H ASN 37 -0.212 -14.682 5.530 1145 HA ASN 37 HA ASN 37 0.928 -15.687 8.049 1146 1HB ASN 37 1HB ASN 37 0.818 -12.777 7.312 1147 2HB ASN 37 2HB ASN 37 1.920 -13.596 8.413 1148 1HD2 ASN 37 1HD2 ASN 37 1.558 -12.283 5.402 1149 2HD2 ASN 37 2HD2 ASN 37 2.930 -12.992 4.623 1150 H GLY 38 H GLY 38 -1.927 -14.263 6.731 1151 1HA GLY 38 1HA GLY 38 -3.866 -14.588 8.277 1152 2HA GLY 38 2HA GLY 38 -2.900 -13.739 9.470 1153 H VAL 39 H VAL 39 -2.612 -12.521 6.266 1154 HA VAL 39 HA VAL 39 -4.053 -10.123 7.063 1155 HB VAL 39 HB VAL 39 -2.528 -10.637 4.504 1156 1HG1 VAL 39 1HG1 VAL 39 -3.825 -8.232 5.709 1157 2HG1 VAL 39 2HG1 VAL 39 -3.827 -8.791 4.037 1158 3HG1 VAL 39 3HG1 VAL 39 -2.385 -8.034 4.711 1159 1HG2 VAL 39 1HG2 VAL 39 -1.646 -9.635 7.186 1160 2HG2 VAL 39 2HG2 VAL 39 -0.816 -9.128 5.715 1161 3HG2 VAL 39 3HG2 VAL 39 -0.890 -10.838 6.141 1162 H ASP 40 H ASP 40 -5.889 -9.327 6.025 1163 HA ASP 40 HA ASP 40 -6.973 -10.707 3.731 1164 1HB ASP 40 1HB ASP 40 -8.417 -10.781 6.389 1165 2HB ASP 40 2HB ASP 40 -9.112 -11.274 4.847 1166 H GLY 41 H GLY 41 -9.417 -9.819 3.511 1167 1HA GLY 41 1HA GLY 41 -10.759 -7.787 3.961 1168 2HA GLY 41 2HA GLY 41 -9.247 -6.892 3.909 1169 H GLU 42 H GLU 42 -9.804 -5.533 2.230 1170 HA GLU 42 HA GLU 42 -9.714 -6.752 -0.407 1171 1HB GLU 42 1HB GLU 42 -12.038 -5.149 0.624 1172 2HB GLU 42 2HB GLU 42 -11.659 -5.192 -1.092 1173 1HG GLU 42 1HG GLU 42 -11.732 -7.743 -0.840 1174 2HG GLU 42 2HG GLU 42 -12.550 -7.425 0.690 1175 H TRP 43 H TRP 43 -9.231 -5.240 -2.102 1176 HA TRP 43 HA TRP 43 -7.404 -3.217 -1.257 1177 1HB TRP 43 1HB TRP 43 -8.388 -4.146 -3.944 1178 2HB TRP 43 2HB TRP 43 -7.327 -2.749 -3.786 1179 HD1 TRP 43 HD1 TRP 43 -7.336 -6.541 -3.552 1180 HE1 TRP 43 HE1 TRP 43 -4.912 -7.378 -3.376 1181 HE3 TRP 43 HE3 TRP 43 -4.981 -2.051 -2.907 1182 HZ2 TRP 43 HZ2 TRP 43 -2.333 -6.275 -3.005 1183 HZ3 TRP 43 HZ3 TRP 43 -2.535 -2.028 -2.647 1184 HH2 TRP 43 HH2 TRP 43 -1.240 -4.098 -2.694 1185 H THR 44 H THR 44 -7.820 -1.226 -0.741 1186 HA THR 44 HA THR 44 -10.282 0.024 -1.757 1187 HB THR 44 HB THR 44 -10.216 1.453 0.246 1188 HG1 THR 44 HG1 THR 44 -8.231 1.592 0.987 1189 1HG2 THR 44 1HG2 THR 44 -9.982 -1.424 1.081 1190 2HG2 THR 44 2HG2 THR 44 -11.421 -0.718 0.345 1191 3HG2 THR 44 3HG2 THR 44 -10.849 -0.128 1.905 1192 H TYR 45 H TYR 45 -10.170 1.961 -2.722 1193 HA TYR 45 HA TYR 45 -7.668 2.803 -3.797 1194 1HB TYR 45 1HB TYR 45 -10.475 3.855 -3.943 1195 2HB TYR 45 2HB TYR 45 -9.137 4.820 -4.559 1196 HD1 TYR 45 HD1 TYR 45 -11.288 1.964 -5.145 1197 HD2 TYR 45 HD2 TYR 45 -7.758 3.955 -6.437 1198 HE1 TYR 45 HE1 TYR 45 -11.360 0.710 -7.259 1199 HE2 TYR 45 HE2 TYR 45 -7.820 2.707 -8.555 1200 HH TYR 45 HH TYR 45 -8.816 0.439 -9.326 1201 H ASP 46 H ASP 46 -6.425 4.589 -3.329 1202 HA ASP 46 HA ASP 46 -6.479 5.494 -0.629 1203 1HB ASP 46 1HB ASP 46 -4.867 6.545 -2.967 1204 2HB ASP 46 2HB ASP 46 -4.554 6.874 -1.266 1205 H ASP 47 H ASP 47 -6.580 7.754 0.040 1206 HA ASP 47 HA ASP 47 -8.896 9.052 -0.934 1207 1HB ASP 47 1HB ASP 47 -8.257 10.881 0.622 1208 2HB ASP 47 2HB ASP 47 -8.222 9.294 1.386 1209 H ALA 48 H ALA 48 -9.179 10.597 -2.433 1210 HA ALA 48 HA ALA 48 -7.286 11.144 -4.381 1211 1HB ALA 48 1HB ALA 48 -9.871 11.498 -4.326 1212 2HB ALA 48 2HB ALA 48 -8.860 12.506 -5.360 1213 3HB ALA 48 3HB ALA 48 -9.439 13.130 -3.817 1214 H THR 49 H THR 49 -5.875 12.779 -4.796 1215 HA THR 49 HA THR 49 -5.550 14.887 -2.783 1216 HB THR 49 HB THR 49 -3.226 13.325 -3.915 1217 HG1 THR 49 HG1 THR 49 -4.210 11.914 -2.574 1218 1HG2 THR 49 1HG2 THR 49 -3.381 15.244 -1.604 1219 2HG2 THR 49 2HG2 THR 49 -2.624 15.553 -3.168 1220 3HG2 THR 49 3HG2 THR 49 -1.959 14.322 -2.094 1221 H LYS 50 H LYS 50 -4.345 16.749 -3.552 1222 HA LYS 50 HA LYS 50 -4.364 16.972 -6.494 1223 1HB LYS 50 1HB LYS 50 -5.380 18.816 -4.379 1224 2HB LYS 50 2HB LYS 50 -4.722 19.513 -5.853 1225 1HG LYS 50 1HG LYS 50 -6.366 18.523 -7.192 1226 2HG LYS 50 2HG LYS 50 -6.839 17.391 -5.923 1227 1HD LYS 50 1HD LYS 50 -7.329 19.697 -4.653 1228 2HD LYS 50 2HD LYS 50 -7.581 20.230 -6.316 1229 1HE LYS 50 1HE LYS 50 -9.224 18.492 -6.663 1230 2HE LYS 50 2HE LYS 50 -8.912 17.834 -5.057 1231 1HZ LYS 50 1HZ LYS 50 -9.695 20.639 -5.207 1232 2HZ LYS 50 2HZ LYS 50 -10.094 19.465 -4.059 1233 3HZ LYS 50 3HZ LYS 50 -10.894 19.496 -5.548 1234 H THR 51 H THR 51 -2.513 17.505 -7.412 1235 HA THR 51 HA THR 51 -0.380 18.660 -5.740 1236 HB THR 51 HB THR 51 -0.205 16.750 -8.085 1237 HG1 THR 51 HG1 THR 51 0.380 16.544 -5.328 1238 1HG2 THR 51 1HG2 THR 51 1.663 18.320 -8.222 1239 2HG2 THR 51 2HG2 THR 51 2.198 16.704 -7.759 1240 3HG2 THR 51 3HG2 THR 51 2.073 17.975 -6.541 1241 H PHE 52 H PHE 52 0.463 20.571 -6.350 1242 HA PHE 52 HA PHE 52 -0.671 21.922 -8.633 1243 1HB PHE 52 1HB PHE 52 -0.203 23.004 -6.379 1244 2HB PHE 52 2HB PHE 52 1.500 22.972 -6.821 1245 HD1 PHE 52 HD1 PHE 52 -1.808 24.252 -7.899 1246 HD2 PHE 52 HD2 PHE 52 2.422 24.646 -8.154 1247 HE1 PHE 52 HE1 PHE 52 -2.083 26.374 -9.113 1248 HE2 PHE 52 HE2 PHE 52 2.154 26.770 -9.367 1249 HZ PHE 52 HZ PHE 52 -0.100 27.637 -9.847 1250 H THR 53 H THR 53 0.155 21.908 -10.609 1251 HA THR 53 HA THR 53 2.930 21.052 -10.987 1252 HB THR 53 HB THR 53 0.679 21.386 -12.984 1253 HG1 THR 53 HG1 THR 53 0.600 19.594 -11.437 1254 1HG2 THR 53 1HG2 THR 53 3.402 20.175 -13.394 1255 2HG2 THR 53 2HG2 THR 53 2.827 21.691 -14.086 1256 3HG2 THR 53 3HG2 THR 53 2.074 20.166 -14.554 1257 H VAL 54 H VAL 54 4.470 22.517 -11.339 1258 HA VAL 54 HA VAL 54 3.857 25.285 -11.586 1259 HB VAL 54 HB VAL 54 6.558 24.094 -12.169 1260 1HG1 VAL 54 1HG1 VAL 54 6.544 26.389 -12.631 1261 2HG1 VAL 54 2HG1 VAL 54 7.238 26.265 -11.015 1262 3HG1 VAL 54 3HG1 VAL 54 5.557 26.758 -11.218 1263 1HG2 VAL 54 1HG2 VAL 54 5.240 24.533 -9.500 1264 2HG2 VAL 54 2HG2 VAL 54 6.990 24.455 -9.695 1265 3HG2 VAL 54 3HG2 VAL 54 5.994 23.064 -10.118 1266 H THR 55 H THR 55 4.482 26.702 -13.302 1267 HA THR 55 HA THR 55 4.965 25.524 -15.915 1268 HB THR 55 HB THR 55 2.548 27.261 -15.391 1269 HG1 THR 55 HG1 THR 55 2.717 24.522 -16.106 1270 1HG2 THR 55 1HG2 THR 55 1.927 26.675 -17.709 1271 2HG2 THR 55 2HG2 THR 55 3.528 25.968 -17.922 1272 3HG2 THR 55 3HG2 THR 55 3.362 27.693 -17.599 1273 H GLU 56 H GLU 56 3.793 28.657 -14.734 1274 HA GLU 56 HA GLU 56 6.011 29.950 -16.150 1275 1HB GLU 56 1HB GLU 56 3.306 30.871 -15.243 1276 2HB GLU 56 2HB GLU 56 4.577 32.050 -15.536 1277 1HG GLU 56 1HG GLU 56 4.824 30.962 -17.827 1278 2HG GLU 56 2HG GLU 56 3.286 30.174 -17.483 1279 1H MET 1 1H MET 1 1.388 1.417 -12.205 1280 2H MET 1 2H MET 1 1.597 3.113 -12.053 1281 3H MET 1 3H MET 1 0.341 2.486 -13.040 1282 HA MET 1 HA MET 1 -0.553 3.283 -11.018 1283 1HB MET 1 1HB MET 1 -0.517 0.396 -11.717 1284 2HB MET 1 2HB MET 1 -1.256 0.828 -10.180 1285 1HG MET 1 1HG MET 1 -2.077 2.426 -12.518 1286 2HG MET 1 2HG MET 1 -2.588 0.739 -12.502 1287 1HE MET 1 1HE MET 1 -3.485 3.504 -8.925 1288 2HE MET 1 2HE MET 1 -2.314 3.898 -10.183 1289 3HE MET 1 3HE MET 1 -2.011 2.548 -9.090 1290 H GLN 2 H GLN 2 -0.225 3.794 -8.953 1291 HA GLN 2 HA GLN 2 2.128 2.728 -7.612 1292 1HB GLN 2 1HB GLN 2 1.412 5.219 -7.743 1293 2HB GLN 2 2HB GLN 2 0.290 4.802 -6.457 1294 1HG GLN 2 1HG GLN 2 1.935 4.529 -4.914 1295 2HG GLN 2 2HG GLN 2 3.126 4.022 -6.110 1296 1HE2 GLN 2 1HE2 GLN 2 1.166 6.884 -5.346 1297 2HE2 GLN 2 2HE2 GLN 2 2.439 8.028 -5.578 1298 H TYR 3 H TYR 3 2.032 1.115 -6.214 1299 HA TYR 3 HA TYR 3 -0.559 0.456 -4.996 1300 1HB TYR 3 1HB TYR 3 1.825 -1.198 -5.748 1301 2HB TYR 3 2HB TYR 3 0.714 -1.770 -4.507 1302 HD1 TYR 3 HD1 TYR 3 1.173 -1.128 -8.071 1303 HD2 TYR 3 HD2 TYR 3 -1.595 -2.346 -5.078 1304 HE1 TYR 3 HE1 TYR 3 -0.323 -2.002 -9.817 1305 HE2 TYR 3 HE2 TYR 3 -3.097 -3.225 -6.815 1306 HH TYR 3 HH TYR 3 -3.458 -2.654 -9.396 1307 H LYS 4 H LYS 4 -0.856 0.633 -2.911 1308 HA LYS 4 HA LYS 4 1.460 1.240 -1.198 1309 1HB LYS 4 1HB LYS 4 -1.348 2.180 -1.254 1310 2HB LYS 4 2HB LYS 4 -0.644 1.945 0.341 1311 1HG LYS 4 1HG LYS 4 1.327 3.345 -0.619 1312 2HG LYS 4 2HG LYS 4 0.130 3.865 -1.807 1313 1HD LYS 4 1HD LYS 4 -1.355 4.349 0.258 1314 2HD LYS 4 2HD LYS 4 0.161 4.289 1.159 1315 1HE LYS 4 1HE LYS 4 1.047 6.127 0.013 1316 2HE LYS 4 2HE LYS 4 -0.137 6.000 -1.287 1317 1HZ LYS 4 1HZ LYS 4 -0.498 7.852 0.341 1318 2HZ LYS 4 2HZ LYS 4 -0.877 6.681 1.501 1319 3HZ LYS 4 3HZ LYS 4 -1.827 6.830 0.110 1320 H VAL 5 H VAL 5 1.984 -0.018 0.469 1321 HA VAL 5 HA VAL 5 0.075 -2.004 1.463 1322 HB VAL 5 HB VAL 5 2.893 -2.787 0.715 1323 1HG1 VAL 5 1HG1 VAL 5 0.490 -4.369 1.615 1324 2HG1 VAL 5 2HG1 VAL 5 1.991 -4.112 2.506 1325 3HG1 VAL 5 3HG1 VAL 5 1.995 -5.080 1.031 1326 1HG2 VAL 5 1HG2 VAL 5 1.808 -4.098 -1.118 1327 2HG2 VAL 5 2HG2 VAL 5 1.757 -2.348 -1.343 1328 3HG2 VAL 5 3HG2 VAL 5 0.318 -3.209 -0.794 1329 H ILE 6 H ILE 6 0.095 -2.073 3.634 1330 HA ILE 6 HA ILE 6 2.322 -0.762 5.018 1331 HB ILE 6 HB ILE 6 -0.363 -1.520 6.167 1332 1HG1 ILE 6 1HG1 ILE 6 0.492 1.220 5.233 1333 2HG1 ILE 6 2HG1 ILE 6 -0.443 0.120 4.226 1334 1HG2 ILE 6 1HG2 ILE 6 1.571 -1.161 7.727 1335 2HG2 ILE 6 2HG2 ILE 6 0.194 -0.087 7.982 1336 3HG2 ILE 6 3HG2 ILE 6 1.634 0.506 7.153 1337 1HD1 ILE 6 1HD1 ILE 6 -2.094 1.410 5.138 1338 2HD1 ILE 6 2HD1 ILE 6 -1.248 1.599 6.675 1339 3HD1 ILE 6 3HD1 ILE 6 -2.044 0.073 6.288 1340 H LEU 7 H LEU 7 3.831 -2.019 5.884 1341 HA LEU 7 HA LEU 7 3.109 -4.754 6.692 1342 1HB LEU 7 1HB LEU 7 5.572 -3.516 5.602 1343 2HB LEU 7 2HB LEU 7 5.804 -4.756 6.821 1344 HG LEU 7 HG LEU 7 4.019 -5.980 5.154 1345 1HD1 LEU 7 1HD1 LEU 7 5.936 -4.708 3.253 1346 2HD1 LEU 7 2HD1 LEU 7 4.415 -3.906 3.644 1347 3HD1 LEU 7 3HD1 LEU 7 4.404 -5.519 2.929 1348 1HD2 LEU 7 1HD2 LEU 7 6.081 -6.939 6.082 1349 2HD2 LEU 7 2HD2 LEU 7 7.024 -6.034 4.897 1350 3HD2 LEU 7 3HD2 LEU 7 5.906 -7.288 4.361 1351 H ASN 8 H ASN 8 2.893 -5.137 8.796 1352 HA ASN 8 HA ASN 8 4.654 -3.898 10.722 1353 1HB ASN 8 1HB ASN 8 1.734 -3.218 10.551 1354 2HB ASN 8 2HB ASN 8 2.560 -3.204 12.105 1355 1HD2 ASN 8 1HD2 ASN 8 1.411 -1.121 10.175 1356 2HD2 ASN 8 2HD2 ASN 8 2.657 0.074 10.092 1357 H GLY 9 H GLY 9 5.317 -5.656 11.780 1358 1HA GLY 9 1HA GLY 9 3.251 -7.491 12.816 1359 2HA GLY 9 2HA GLY 9 4.699 -8.121 12.042 1360 H LYS 10 H LYS 10 3.774 -5.864 14.645 1361 HA LYS 10 HA LYS 10 5.381 -7.273 16.547 1362 1HB LYS 10 1HB LYS 10 6.744 -5.138 17.077 1363 2HB LYS 10 2HB LYS 10 7.260 -6.159 15.743 1364 1HG LYS 10 1HG LYS 10 6.468 -4.652 14.136 1365 2HG LYS 10 2HG LYS 10 5.490 -3.777 15.315 1366 1HD LYS 10 1HD LYS 10 8.400 -3.889 15.832 1367 2HD LYS 10 2HD LYS 10 7.881 -2.913 14.456 1368 1HE LYS 10 1HE LYS 10 7.826 -1.374 16.175 1369 2HE LYS 10 2HE LYS 10 6.156 -1.937 16.139 1370 1HZ LYS 10 1HZ LYS 10 7.604 -1.828 18.353 1371 2HZ LYS 10 2HZ LYS 10 7.975 -3.406 17.871 1372 3HZ LYS 10 3HZ LYS 10 6.364 -2.957 18.124 1373 H THR 11 H THR 11 2.677 -6.651 16.439 1374 HA THR 11 HA THR 11 2.378 -4.590 18.522 1375 HB THR 11 HB THR 11 -0.101 -4.739 17.802 1376 HG1 THR 11 HG1 THR 11 0.008 -6.552 16.506 1377 1HG2 THR 11 1HG2 THR 11 0.151 -3.156 16.024 1378 2HG2 THR 11 2HG2 THR 11 1.829 -3.636 15.777 1379 3HG2 THR 11 3HG2 THR 11 1.356 -2.818 17.266 1380 H LEU 12 H LEU 12 0.206 -5.102 19.813 1381 HA LEU 12 HA LEU 12 0.644 -7.747 20.982 1382 1HB LEU 12 1HB LEU 12 -1.002 -5.452 22.043 1383 2HB LEU 12 2HB LEU 12 -0.580 -6.918 22.907 1384 HG LEU 12 HG LEU 12 1.346 -4.769 22.018 1385 1HD1 LEU 12 1HD1 LEU 12 1.627 -4.395 24.432 1386 2HD1 LEU 12 2HD1 LEU 12 0.341 -5.561 24.748 1387 3HD1 LEU 12 3HD1 LEU 12 -0.018 -4.063 23.889 1388 1HD2 LEU 12 1HD2 LEU 12 2.339 -7.013 21.936 1389 2HD2 LEU 12 2HD2 LEU 12 1.853 -7.281 23.610 1390 3HD2 LEU 12 3HD2 LEU 12 3.035 -6.030 23.224 1391 H LYS 13 H LYS 13 -1.863 -5.756 19.536 1392 HA LYS 13 HA LYS 13 -3.589 -8.141 19.395 1393 1HB LYS 13 1HB LYS 13 -4.396 -6.303 20.946 1394 2HB LYS 13 2HB LYS 13 -4.590 -5.297 19.518 1395 1HG LYS 13 1HG LYS 13 -6.320 -6.612 18.676 1396 2HG LYS 13 2HG LYS 13 -5.905 -7.981 19.709 1397 1HD LYS 13 1HD LYS 13 -7.726 -7.171 20.836 1398 2HD LYS 13 2HD LYS 13 -6.444 -6.254 21.630 1399 1HE LYS 13 1HE LYS 13 -7.102 -4.293 20.721 1400 2HE LYS 13 2HE LYS 13 -7.577 -5.038 19.196 1401 1HZ LYS 13 1HZ LYS 13 -9.143 -5.272 21.705 1402 2HZ LYS 13 2HZ LYS 13 -9.616 -5.763 20.157 1403 3HZ LYS 13 3HZ LYS 13 -9.448 -4.116 20.507 1404 H GLY 14 H GLY 14 -4.150 -8.767 17.412 1405 1HA GLY 14 1HA GLY 14 -5.003 -7.385 15.266 1406 2HA GLY 14 2HA GLY 14 -3.260 -7.203 15.142 1407 H GLU 15 H GLU 15 -1.961 -9.112 14.885 1408 HA GLU 15 HA GLU 15 -3.387 -11.178 13.391 1409 1HB GLU 15 1HB GLU 15 -0.402 -10.794 13.640 1410 2HB GLU 15 2HB GLU 15 -1.254 -11.778 12.458 1411 1HG GLU 15 1HG GLU 15 -2.367 -9.422 11.902 1412 2HG GLU 15 2HG GLU 15 -0.824 -8.855 12.544 1413 H THR 16 H THR 16 -3.120 -13.393 13.796 1414 HA THR 16 HA THR 16 -2.861 -14.058 16.570 1415 HB THR 16 HB THR 16 -4.514 -15.174 15.149 1416 HG1 THR 16 HG1 THR 16 -4.193 -17.157 15.989 1417 1HG2 THR 16 1HG2 THR 16 -4.062 -16.553 13.370 1418 2HG2 THR 16 2HG2 THR 16 -2.376 -16.780 13.835 1419 3HG2 THR 16 3HG2 THR 16 -2.897 -15.252 13.124 1420 H THR 17 H THR 17 -0.914 -14.558 13.670 1421 HA THR 17 HA THR 17 0.969 -16.330 14.754 1422 HB THR 17 HB THR 17 2.467 -15.033 12.940 1423 HG1 THR 17 HG1 THR 17 1.134 -13.414 12.385 1424 1HG2 THR 17 1HG2 THR 17 2.042 -16.728 11.528 1425 2HG2 THR 17 2HG2 THR 17 0.292 -16.556 11.671 1426 3HG2 THR 17 3HG2 THR 17 1.203 -17.391 12.931 1427 H THR 18 H THR 18 3.396 -15.621 14.879 1428 HA THR 18 HA THR 18 3.511 -13.539 16.928 1429 HB THR 18 HB THR 18 5.851 -14.491 17.280 1430 HG1 THR 18 HG1 THR 18 6.457 -16.177 16.155 1431 1HG2 THR 18 1HG2 THR 18 4.237 -15.163 18.852 1432 2HG2 THR 18 2HG2 THR 18 5.022 -16.640 18.297 1433 3HG2 THR 18 3HG2 THR 18 3.426 -16.209 17.687 1434 H GLU 19 H GLU 19 5.177 -14.500 13.940 1435 HA GLU 19 HA GLU 19 5.719 -11.711 13.351 1436 1HB GLU 19 1HB GLU 19 8.120 -12.054 13.010 1437 2HB GLU 19 2HB GLU 19 7.670 -12.358 14.683 1438 1HG GLU 19 1HG GLU 19 9.012 -14.148 14.336 1439 2HG GLU 19 2HG GLU 19 7.481 -14.842 13.803 1440 H ALA 20 H ALA 20 5.835 -11.303 11.177 1441 HA ALA 20 HA ALA 20 6.457 -13.263 9.227 1442 1HB ALA 20 1HB ALA 20 3.578 -12.545 9.043 1443 2HB ALA 20 2HB ALA 20 4.061 -13.827 10.153 1444 3HB ALA 20 3HB ALA 20 4.430 -13.963 8.432 1445 H VAL 21 H VAL 21 4.323 -10.460 9.640 1446 HA VAL 21 HA VAL 21 4.977 -9.372 7.082 1447 HB VAL 21 HB VAL 21 3.709 -7.859 9.364 1448 1HG1 VAL 21 1HG1 VAL 21 3.669 -7.537 6.368 1449 2HG1 VAL 21 2HG1 VAL 21 4.361 -6.435 7.559 1450 3HG1 VAL 21 3HG1 VAL 21 2.613 -6.650 7.468 1451 1HG2 VAL 21 1HG2 VAL 21 2.525 -9.862 7.472 1452 2HG2 VAL 21 2HG2 VAL 21 1.548 -8.551 8.135 1453 3HG2 VAL 21 3HG2 VAL 21 2.310 -9.717 9.217 1454 H ASP 22 H ASP 22 7.343 -9.520 7.481 1455 HA ASP 22 HA ASP 22 8.421 -7.312 9.082 1456 1HB ASP 22 1HB ASP 22 9.354 -9.594 9.397 1457 2HB ASP 22 2HB ASP 22 9.865 -9.591 7.712 1458 H ALA 23 H ALA 23 9.572 -5.684 8.252 1459 HA ALA 23 HA ALA 23 9.049 -4.676 5.754 1460 1HB ALA 23 1HB ALA 23 10.237 -2.937 6.496 1461 2HB ALA 23 2HB ALA 23 11.679 -3.920 6.758 1462 3HB ALA 23 3HB ALA 23 10.410 -3.869 7.983 1463 H ALA 24 H ALA 24 11.789 -6.688 6.747 1464 HA ALA 24 HA ALA 24 13.181 -6.576 4.281 1465 1HB ALA 24 1HB ALA 24 13.309 -8.735 6.382 1466 2HB ALA 24 2HB ALA 24 14.217 -7.223 6.431 1467 3HB ALA 24 3HB ALA 24 14.515 -8.391 5.143 1468 H THR 25 H THR 25 10.589 -8.589 5.487 1469 HA THR 25 HA THR 25 10.768 -10.685 3.612 1470 HB THR 25 HB THR 25 8.514 -9.603 5.300 1471 HG1 THR 25 HG1 THR 25 9.067 -11.168 6.619 1472 1HG2 THR 25 1HG2 THR 25 7.007 -10.660 4.074 1473 2HG2 THR 25 2HG2 THR 25 7.751 -12.157 4.643 1474 3HG2 THR 25 3HG2 THR 25 8.238 -11.462 3.095 1475 H PHE 26 H PHE 26 9.068 -7.599 3.551 1476 HA PHE 26 HA PHE 26 7.692 -8.045 1.106 1477 1HB PHE 26 1HB PHE 26 7.144 -6.274 2.836 1478 2HB PHE 26 2HB PHE 26 8.505 -5.354 2.204 1479 HD1 PHE 26 HD1 PHE 26 5.184 -6.726 1.399 1480 HD2 PHE 26 HD2 PHE 26 8.341 -4.155 0.165 1481 HE1 PHE 26 HE1 PHE 26 3.727 -5.781 -0.343 1482 HE2 PHE 26 HE2 PHE 26 6.890 -3.203 -1.579 1483 HZ PHE 26 HZ PHE 26 4.579 -4.016 -1.835 1484 H GLU 27 H GLU 27 10.711 -6.378 1.895 1485 HA GLU 27 HA GLU 27 11.391 -5.416 -0.605 1486 1HB GLU 27 1HB GLU 27 12.530 -4.974 1.609 1487 2HB GLU 27 2HB GLU 27 13.368 -6.505 1.394 1488 1HG GLU 27 1HG GLU 27 13.891 -5.307 -0.972 1489 2HG GLU 27 2HG GLU 27 13.802 -3.909 0.099 1490 H LYS 28 H LYS 28 12.344 -8.543 0.821 1491 HA LYS 28 HA LYS 28 13.795 -9.415 -1.430 1492 1HB LYS 28 1HB LYS 28 13.994 -10.302 0.909 1493 2HB LYS 28 2HB LYS 28 12.482 -11.160 0.651 1494 1HG LYS 28 1HG LYS 28 13.648 -12.207 -1.378 1495 2HG LYS 28 2HG LYS 28 15.141 -11.610 -0.650 1496 1HD LYS 28 1HD LYS 28 13.163 -13.292 0.868 1497 2HD LYS 28 2HD LYS 28 14.467 -13.997 -0.089 1498 1HE LYS 28 1HE LYS 28 16.128 -12.995 1.263 1499 2HE LYS 28 2HE LYS 28 14.955 -11.934 2.043 1500 1HZ LYS 28 1HZ LYS 28 15.690 -13.868 3.403 1501 2HZ LYS 28 2HZ LYS 28 14.909 -14.888 2.304 1502 3HZ LYS 28 3HZ LYS 28 14.014 -13.764 3.195 1503 H VAL 29 H VAL 29 10.439 -10.090 -0.419 1504 HA VAL 29 HA VAL 29 9.864 -11.942 -2.446 1505 HB VAL 29 HB VAL 29 7.959 -10.074 -1.027 1506 1HG1 VAL 29 1HG1 VAL 29 6.211 -11.653 -1.632 1507 2HG1 VAL 29 2HG1 VAL 29 7.381 -12.651 -2.492 1508 3HG1 VAL 29 3HG1 VAL 29 6.999 -11.033 -3.084 1509 1HG2 VAL 29 1HG2 VAL 29 8.119 -12.918 -0.279 1510 2HG2 VAL 29 2HG2 VAL 29 7.917 -11.485 0.730 1511 3HG2 VAL 29 3HG2 VAL 29 9.521 -11.935 0.148 1512 H VAL 30 H VAL 30 9.518 -8.415 -2.375 1513 HA VAL 30 HA VAL 30 8.146 -8.240 -4.847 1514 HB VAL 30 HB VAL 30 9.808 -6.083 -3.541 1515 1HG1 VAL 30 1HG1 VAL 30 7.498 -5.883 -5.473 1516 2HG1 VAL 30 2HG1 VAL 30 9.196 -5.639 -5.883 1517 3HG1 VAL 30 3HG1 VAL 30 8.392 -4.538 -4.767 1518 1HG2 VAL 30 1HG2 VAL 30 7.745 -7.336 -2.336 1519 2HG2 VAL 30 2HG2 VAL 30 6.876 -6.089 -3.231 1520 3HG2 VAL 30 3HG2 VAL 30 8.140 -5.635 -2.087 1521 H LYS 31 H LYS 31 11.606 -7.812 -4.034 1522 HA LYS 31 HA LYS 31 12.422 -7.153 -6.633 1523 1HB LYS 31 1HB LYS 31 13.815 -6.773 -4.655 1524 2HB LYS 31 2HB LYS 31 13.954 -8.508 -4.404 1525 1HG LYS 31 1HG LYS 31 15.435 -8.780 -6.124 1526 2HG LYS 31 2HG LYS 31 14.836 -7.374 -7.008 1527 1HD LYS 31 1HD LYS 31 16.403 -7.239 -4.432 1528 2HD LYS 31 2HD LYS 31 17.102 -7.051 -6.041 1529 1HE LYS 31 1HE LYS 31 15.200 -5.234 -6.268 1530 2HE LYS 31 2HE LYS 31 15.325 -5.222 -4.510 1531 1HZ LYS 31 1HZ LYS 31 17.823 -4.963 -4.948 1532 2HZ LYS 31 2HZ LYS 31 16.829 -3.614 -5.175 1533 3HZ LYS 31 3HZ LYS 31 17.368 -4.501 -6.510 1534 H GLN 32 H GLN 32 12.266 -10.264 -4.945 1535 HA GLN 32 HA GLN 32 13.342 -11.797 -7.060 1536 1HB GLN 32 1HB GLN 32 13.197 -12.524 -4.673 1537 2HB GLN 32 2HB GLN 32 11.464 -12.734 -4.888 1538 1HG GLN 32 1HG GLN 32 12.599 -14.855 -5.067 1539 2HG GLN 32 2HG GLN 32 11.883 -14.411 -6.616 1540 1HE2 GLN 32 1HE2 GLN 32 14.883 -14.548 -4.797 1541 2HE2 GLN 32 2HE2 GLN 32 15.930 -14.629 -6.170 1542 H PHE 33 H PHE 33 9.989 -10.938 -6.197 1543 HA PHE 33 HA PHE 33 8.784 -12.617 -8.115 1544 1HB PHE 33 1HB PHE 33 7.379 -12.068 -6.374 1545 2HB PHE 33 2HB PHE 33 7.934 -10.407 -6.307 1546 HD1 PHE 33 HD1 PHE 33 6.210 -12.536 -8.877 1547 HD2 PHE 33 HD2 PHE 33 6.320 -8.910 -6.657 1548 HE1 PHE 33 HE1 PHE 33 4.162 -11.776 -10.019 1549 HE2 PHE 33 HE2 PHE 33 4.283 -8.137 -7.800 1550 HZ PHE 33 HZ PHE 33 3.202 -9.566 -9.484 1551 H PHE 34 H PHE 34 9.491 -9.119 -8.157 1552 HA PHE 34 HA PHE 34 8.477 -8.882 -10.819 1553 1HB PHE 34 1HB PHE 34 9.674 -6.975 -8.877 1554 2HB PHE 34 2HB PHE 34 9.587 -6.518 -10.581 1555 HD1 PHE 34 HD1 PHE 34 7.819 -6.558 -7.525 1556 HD2 PHE 34 HD2 PHE 34 7.295 -6.946 -11.731 1557 HE1 PHE 34 HE1 PHE 34 5.424 -6.030 -7.278 1558 HE2 PHE 34 HE2 PHE 34 4.910 -6.414 -11.493 1559 HZ PHE 34 HZ PHE 34 3.966 -5.965 -9.267 1560 H ASN 35 H ASN 35 11.683 -9.376 -9.493 1561 HA ASN 35 HA ASN 35 13.214 -8.564 -11.675 1562 1HB ASN 35 1HB ASN 35 13.624 -10.612 -9.537 1563 2HB ASN 35 2HB ASN 35 14.752 -10.553 -10.886 1564 1HD2 ASN 35 1HD2 ASN 35 13.181 -7.672 -9.626 1565 2HD2 ASN 35 2HD2 ASN 35 14.605 -6.983 -8.935 1566 H ASP 36 H ASP 36 11.260 -11.406 -11.252 1567 HA ASP 36 HA ASP 36 12.269 -12.993 -13.337 1568 1HB ASP 36 1HB ASP 36 9.634 -12.859 -11.911 1569 2HB ASP 36 2HB ASP 36 9.842 -13.929 -13.294 1570 H ASN 37 H ASN 37 10.473 -10.085 -13.456 1571 HA ASN 37 HA ASN 37 9.585 -10.630 -16.209 1572 1HB ASN 37 1HB ASN 37 8.812 -8.171 -14.666 1573 2HB ASN 37 2HB ASN 37 7.971 -8.945 -16.004 1574 1HD2 ASN 37 1HD2 ASN 37 8.048 -8.501 -12.730 1575 2HD2 ASN 37 2HD2 ASN 37 7.007 -9.794 -12.248 1576 H GLY 38 H GLY 38 11.910 -8.826 -14.407 1577 1HA GLY 38 1HA GLY 38 13.778 -8.068 -15.890 1578 2HA GLY 38 2HA GLY 38 12.538 -7.261 -16.835 1579 H VAL 39 H VAL 39 12.040 -7.165 -13.432 1580 HA VAL 39 HA VAL 39 12.617 -4.313 -13.442 1581 HB VAL 39 HB VAL 39 11.454 -5.988 -11.210 1582 1HG1 VAL 39 1HG1 VAL 39 11.885 -3.062 -11.613 1583 2HG1 VAL 39 2HG1 VAL 39 12.123 -4.047 -10.170 1584 3HG1 VAL 39 3HG1 VAL 39 10.492 -3.611 -10.680 1585 1HG2 VAL 39 1HG2 VAL 39 10.172 -4.579 -13.523 1586 2HG2 VAL 39 2HG2 VAL 39 9.299 -4.826 -12.011 1587 3HG2 VAL 39 3HG2 VAL 39 9.893 -6.214 -12.923 1588 H ASP 40 H ASP 40 14.160 -3.314 -12.136 1589 HA ASP 40 HA ASP 40 15.727 -4.880 -10.284 1590 1HB ASP 40 1HB ASP 40 16.997 -3.741 -12.783 1591 2HB ASP 40 2HB ASP 40 17.882 -4.408 -11.416 1592 H GLY 41 H GLY 41 17.780 -3.374 -9.709 1593 1HA GLY 41 1HA GLY 41 18.398 -0.985 -9.495 1594 2HA GLY 41 2HA GLY 41 16.687 -0.663 -9.260 1595 H GLU 42 H GLU 42 16.869 0.261 -7.233 1596 HA GLU 42 HA GLU 42 17.290 -1.631 -5.066 1597 1HB GLU 42 1HB GLU 42 18.950 0.839 -5.486 1598 2HB GLU 42 2HB GLU 42 18.681 0.195 -3.871 1599 1HG GLU 42 1HG GLU 42 19.534 -2.024 -4.831 1600 2HG GLU 42 2HG GLU 42 20.139 -1.048 -6.169 1601 H TRP 43 H TRP 43 16.442 -0.898 -3.031 1602 HA TRP 43 HA TRP 43 14.037 0.607 -3.342 1603 1HB TRP 43 1HB TRP 43 15.387 -0.697 -0.992 1604 2HB TRP 43 2HB TRP 43 13.938 0.283 -0.792 1605 HD1 TRP 43 HD1 TRP 43 15.118 -3.084 -2.100 1606 HE1 TRP 43 HE1 TRP 43 13.069 -4.546 -2.621 1607 HE3 TRP 43 HE3 TRP 43 11.452 0.435 -1.546 1608 HZ2 TRP 43 HZ2 TRP 43 10.262 -4.246 -2.783 1609 HZ3 TRP 43 HZ3 TRP 43 9.111 -0.233 -1.903 1610 HH2 TRP 43 HH2 TRP 43 8.530 -2.526 -2.509 1611 H THR 44 H THR 44 13.787 2.689 -3.250 1612 HA THR 44 HA THR 44 15.782 4.300 -1.805 1613 HB THR 44 HB THR 44 15.178 6.146 -3.318 1614 HG1 THR 44 HG1 THR 44 13.209 5.852 -4.071 1615 1HG2 THR 44 1HG2 THR 44 15.815 3.708 -4.953 1616 2HG2 THR 44 2HG2 THR 44 16.995 4.577 -3.973 1617 3HG2 THR 44 3HG2 THR 44 16.201 5.389 -5.323 1618 H TYR 45 H TYR 45 15.118 5.740 -0.331 1619 HA TYR 45 HA TYR 45 12.533 5.416 0.822 1620 1HB TYR 45 1HB TYR 45 14.875 7.203 1.394 1621 2HB TYR 45 2HB TYR 45 13.333 7.485 2.197 1622 HD1 TYR 45 HD1 TYR 45 16.294 5.404 2.047 1623 HD2 TYR 45 HD2 TYR 45 12.378 5.729 3.678 1624 HE1 TYR 45 HE1 TYR 45 16.852 3.686 3.716 1625 HE2 TYR 45 HE2 TYR 45 12.924 4.014 5.350 1626 HH TYR 45 HH TYR 45 14.607 2.058 5.502 1627 H ASP 46 H ASP 46 10.776 6.781 0.832 1628 HA ASP 46 HA ASP 46 10.415 8.389 -1.492 1629 1HB ASP 46 1HB ASP 46 8.669 8.167 0.973 1630 2HB ASP 46 2HB ASP 46 8.187 8.857 -0.574 1631 H ASP 47 H ASP 47 9.776 10.658 -1.484 1632 HA ASP 47 HA ASP 47 11.612 12.281 -0.076 1633 1HB ASP 47 1HB ASP 47 10.361 14.181 -1.071 1634 2HB ASP 47 2HB ASP 47 10.786 12.950 -2.258 1635 H ALA 48 H ALA 48 11.470 13.329 1.817 1636 HA ALA 48 HA ALA 48 9.594 12.676 3.747 1637 1HB ALA 48 1HB ALA 48 11.932 13.815 3.922 1638 2HB ALA 48 2HB ALA 48 10.704 14.123 5.149 1639 3HB ALA 48 3HB ALA 48 10.994 15.307 3.875 1640 H THR 49 H THR 49 7.765 13.602 4.551 1641 HA THR 49 HA THR 49 6.706 15.989 3.217 1642 HB THR 49 HB THR 49 5.040 13.526 3.741 1643 HG1 THR 49 HG1 THR 49 6.351 12.940 2.098 1644 1HG2 THR 49 1HG2 THR 49 4.479 15.975 2.086 1645 2HG2 THR 49 2HG2 THR 49 3.740 15.573 3.638 1646 3HG2 THR 49 3HG2 THR 49 3.439 14.557 2.227 1647 H LYS 50 H LYS 50 5.017 17.080 4.428 1648 HA LYS 50 HA LYS 50 5.104 16.445 7.308 1649 1HB LYS 50 1HB LYS 50 5.389 19.038 5.858 1650 2HB LYS 50 2HB LYS 50 4.617 19.042 7.437 1651 1HG LYS 50 1HG LYS 50 6.550 18.284 8.514 1652 2HG LYS 50 2HG LYS 50 7.291 17.762 6.999 1653 1HD LYS 50 1HD LYS 50 6.981 20.362 6.450 1654 2HD LYS 50 2HD LYS 50 7.125 20.460 8.207 1655 1HE LYS 50 1HE LYS 50 9.243 19.299 8.136 1656 2HE LYS 50 2HE LYS 50 9.084 19.053 6.398 1657 1HZ LYS 50 1HZ LYS 50 8.959 21.801 7.371 1658 2HZ LYS 50 2HZ LYS 50 9.644 21.187 5.951 1659 3HZ LYS 50 3HZ LYS 50 10.469 21.040 7.421 1660 H THR 51 H THR 51 3.225 16.090 8.258 1661 HA THR 51 HA THR 51 0.761 16.945 6.889 1662 HB THR 51 HB THR 51 1.302 14.489 8.577 1663 HG1 THR 51 HG1 THR 51 0.681 14.910 5.852 1664 1HG2 THR 51 1HG2 THR 51 -0.954 15.285 9.072 1665 2HG2 THR 51 2HG2 THR 51 -0.981 13.790 8.138 1666 3HG2 THR 51 3HG2 THR 51 -1.316 15.330 7.347 1667 H PHE 52 H PHE 52 -0.607 18.240 7.981 1668 HA PHE 52 HA PHE 52 0.154 19.163 10.605 1669 1HB PHE 52 1HB PHE 52 -0.734 20.641 8.734 1670 2HB PHE 52 2HB PHE 52 -2.320 19.953 9.069 1671 HD1 PHE 52 HD1 PHE 52 0.469 21.843 10.616 1672 HD2 PHE 52 HD2 PHE 52 -3.654 20.802 10.781 1673 HE1 PHE 52 HE1 PHE 52 0.124 23.509 12.393 1674 HE2 PHE 52 HE2 PHE 52 -4.007 22.467 12.557 1675 HZ PHE 52 HZ PHE 52 -2.117 23.823 13.366 1676 H THR 53 H THR 53 -0.535 18.328 12.454 1677 HA THR 53 HA THR 53 -2.883 16.578 12.439 1678 HB THR 53 HB THR 53 -0.759 17.014 14.553 1679 HG1 THR 53 HG1 THR 53 -0.198 15.859 12.560 1680 1HG2 THR 53 1HG2 THR 53 -2.955 14.959 14.468 1681 2HG2 THR 53 2HG2 THR 53 -2.831 16.303 15.602 1682 3HG2 THR 53 3HG2 THR 53 -1.629 15.012 15.630 1683 H VAL 54 H VAL 54 -4.787 17.325 13.122 1684 HA VAL 54 HA VAL 54 -5.058 19.954 14.178 1685 HB VAL 54 HB VAL 54 -7.221 17.866 14.268 1686 1HG1 VAL 54 1HG1 VAL 54 -7.910 19.812 15.366 1687 2HG1 VAL 54 2HG1 VAL 54 -8.595 19.955 13.746 1688 3HG1 VAL 54 3HG1 VAL 54 -7.144 20.863 14.173 1689 1HG2 VAL 54 1HG2 VAL 54 -6.231 19.438 11.901 1690 2HG2 VAL 54 2HG2 VAL 54 -7.860 18.765 11.984 1691 3HG2 VAL 54 3HG2 VAL 54 -6.460 17.694 12.037 1692 H THR 55 H THR 55 -6.015 20.551 16.197 1693 HA THR 55 HA THR 55 -5.984 18.587 18.336 1694 HB THR 55 HB THR 55 -4.250 21.058 18.445 1695 HG1 THR 55 HG1 THR 55 -3.534 18.317 18.333 1696 1HG2 THR 55 1HG2 THR 55 -3.372 20.061 20.525 1697 2HG2 THR 55 2HG2 THR 55 -4.660 18.858 20.453 1698 3HG2 THR 55 3HG2 THR 55 -5.057 20.566 20.645 1699 H GLU 56 H GLU 56 -5.897 22.126 18.160 1700 HA GLU 56 HA GLU 56 -8.338 22.206 19.782 1701 1HB GLU 56 1HB GLU 56 -6.096 24.136 19.306 1702 2HB GLU 56 2HB GLU 56 -7.655 24.732 19.857 1703 1HG GLU 56 1HG GLU 56 -7.456 23.013 21.730 1704 2HG GLU 56 2HG GLU 56 -5.763 22.875 21.254 Start of MODEL 16 1 1H MET 1 1H MET 1 10.326 19.877 -1.392 2 2H MET 1 2H MET 1 11.373 20.637 -0.264 3 3H MET 1 3H MET 1 9.925 21.418 -0.755 4 HA MET 1 HA MET 1 10.090 18.881 0.725 5 1HB MET 1 1HB MET 1 9.873 21.748 1.520 6 2HB MET 1 2HB MET 1 8.963 20.564 2.447 7 1HG MET 1 1HG MET 1 11.797 19.928 1.951 8 2HG MET 1 2HG MET 1 11.474 21.292 3.019 9 1HE MET 1 1HE MET 1 9.548 17.183 3.821 10 2HE MET 1 2HE MET 1 10.511 17.485 2.374 11 3HE MET 1 3HE MET 1 8.993 18.350 2.620 12 H GLN 2 H GLN 2 8.275 17.748 0.690 13 HA GLN 2 HA GLN 2 5.944 18.839 -0.675 14 1HB GLN 2 1HB GLN 2 6.937 16.493 -1.061 15 2HB GLN 2 2HB GLN 2 6.170 16.060 0.462 16 1HG GLN 2 1HG GLN 2 4.000 16.567 -0.419 17 2HG GLN 2 2HG GLN 2 4.705 17.206 -1.902 18 1HE2 GLN 2 1HE2 GLN 2 3.673 14.419 -0.212 19 2HE2 GLN 2 2HE2 GLN 2 4.029 13.260 -1.443 20 H TYR 3 H TYR 3 4.292 19.716 0.377 21 HA TYR 3 HA TYR 3 4.007 19.131 3.244 22 1HB TYR 3 1HB TYR 3 3.425 21.568 1.602 23 2HB TYR 3 2HB TYR 3 2.591 21.313 3.132 24 HD1 TYR 3 HD1 TYR 3 5.710 22.250 1.541 25 HD2 TYR 3 HD2 TYR 3 3.898 21.195 5.243 26 HE1 TYR 3 HE1 TYR 3 7.643 23.178 2.744 27 HE2 TYR 3 HE2 TYR 3 5.825 22.121 6.458 28 HH TYR 3 HH TYR 3 7.622 23.766 6.080 29 H LYS 4 H LYS 4 2.244 18.277 4.033 30 HA LYS 4 HA LYS 4 0.012 17.712 2.198 31 1HB LYS 4 1HB LYS 4 1.256 16.214 4.438 32 2HB LYS 4 2HB LYS 4 -0.484 16.050 4.247 33 1HG LYS 4 1HG LYS 4 0.048 15.520 1.789 34 2HG LYS 4 2HG LYS 4 1.699 15.264 2.357 35 1HD LYS 4 1HD LYS 4 0.526 13.761 4.152 36 2HD LYS 4 2HD LYS 4 -0.784 13.723 2.972 37 1HE LYS 4 1HE LYS 4 0.933 13.014 1.266 38 2HE LYS 4 2HE LYS 4 2.060 12.810 2.607 39 1HZ LYS 4 1HZ LYS 4 0.895 11.029 3.433 40 2HZ LYS 4 2HZ LYS 4 0.676 10.807 1.770 41 3HZ LYS 4 3HZ LYS 4 -0.563 11.483 2.703 42 H VAL 5 H VAL 5 -1.936 18.539 2.551 43 HA VAL 5 HA VAL 5 -2.669 19.469 5.229 44 HB VAL 5 HB VAL 5 -3.045 21.237 2.809 45 1HG1 VAL 5 1HG1 VAL 5 -4.645 21.392 4.762 46 2HG1 VAL 5 2HG1 VAL 5 -3.811 22.883 4.322 47 3HG1 VAL 5 3HG1 VAL 5 -3.275 21.953 5.721 48 1HG2 VAL 5 1HG2 VAL 5 -0.900 21.252 4.917 49 2HG2 VAL 5 2HG2 VAL 5 -1.312 22.684 3.972 50 3HG2 VAL 5 3HG2 VAL 5 -0.713 21.235 3.164 51 H ILE 6 H ILE 6 -4.667 18.789 5.726 52 HA ILE 6 HA ILE 6 -6.375 17.818 3.558 53 HB ILE 6 HB ILE 6 -6.800 17.418 6.516 54 1HG1 ILE 6 1HG1 ILE 6 -5.491 15.450 4.635 55 2HG1 ILE 6 2HG1 ILE 6 -4.564 16.553 5.648 56 1HG2 ILE 6 1HG2 ILE 6 -7.826 15.937 4.098 57 2HG2 ILE 6 2HG2 ILE 6 -8.753 17.041 5.114 58 3HG2 ILE 6 3HG2 ILE 6 -8.159 15.519 5.779 59 1HD1 ILE 6 1HD1 ILE 6 -4.584 14.765 7.023 60 2HD1 ILE 6 2HD1 ILE 6 -6.103 14.143 6.377 61 3HD1 ILE 6 3HD1 ILE 6 -6.115 15.482 7.525 62 H LEU 7 H LEU 7 -7.944 19.108 2.833 63 HA LEU 7 HA LEU 7 -9.150 21.041 4.705 64 1HB LEU 7 1HB LEU 7 -8.383 21.229 1.856 65 2HB LEU 7 2HB LEU 7 -9.933 21.940 2.265 66 HG LEU 7 HG LEU 7 -8.367 22.997 4.222 67 1HD1 LEU 7 1HD1 LEU 7 -6.480 21.832 2.679 68 2HD1 LEU 7 2HD1 LEU 7 -6.210 23.270 3.663 69 3HD1 LEU 7 3HD1 LEU 7 -6.565 23.432 1.943 70 1HD2 LEU 7 1HD2 LEU 7 -8.919 24.062 1.455 71 2HD2 LEU 7 2HD2 LEU 7 -8.285 25.042 2.779 72 3HD2 LEU 7 3HD2 LEU 7 -9.882 24.305 2.911 73 H ASN 8 H ASN 8 -11.182 20.637 5.300 74 HA ASN 8 HA ASN 8 -13.092 19.547 3.436 75 1HB ASN 8 1HB ASN 8 -13.731 17.657 4.943 76 2HB ASN 8 2HB ASN 8 -12.140 17.470 4.210 77 1HD2 ASN 8 1HD2 ASN 8 -13.801 17.096 6.980 78 2HD2 ASN 8 2HD2 ASN 8 -12.515 17.231 8.126 79 H GLY 9 H GLY 9 -14.623 21.052 3.697 80 1HA GLY 9 1HA GLY 9 -15.169 22.153 6.336 81 2HA GLY 9 2HA GLY 9 -15.863 22.696 4.816 82 H LYS 10 H LYS 10 -15.850 19.767 6.851 83 HA LYS 10 HA LYS 10 -17.520 18.390 7.542 84 1HB LYS 10 1HB LYS 10 -19.392 20.657 6.843 85 2HB LYS 10 2HB LYS 10 -19.725 19.308 7.921 86 1HG LYS 10 1HG LYS 10 -17.651 20.236 9.224 87 2HG LYS 10 2HG LYS 10 -18.053 21.727 8.370 88 1HD LYS 10 1HD LYS 10 -20.300 21.678 9.277 89 2HD LYS 10 2HD LYS 10 -19.978 20.128 10.056 90 1HE LYS 10 1HE LYS 10 -18.345 21.132 11.504 91 2HE LYS 10 2HE LYS 10 -18.460 22.666 10.642 92 1HZ LYS 10 1HZ LYS 10 -19.810 23.060 12.423 93 2HZ LYS 10 2HZ LYS 10 -20.337 21.458 12.545 94 3HZ LYS 10 3HZ LYS 10 -20.955 22.460 11.331 95 H THR 11 H THR 11 -18.229 16.669 6.477 96 HA THR 11 HA THR 11 -19.138 17.019 3.706 97 HB THR 11 HB THR 11 -18.551 14.669 3.375 98 HG1 THR 11 HG1 THR 11 -18.298 13.392 5.003 99 1HG2 THR 11 1HG2 THR 11 -16.272 14.860 3.305 100 2HG2 THR 11 2HG2 THR 11 -16.186 15.721 4.842 101 3HG2 THR 11 3HG2 THR 11 -16.755 16.554 3.395 102 H LEU 12 H LEU 12 -21.202 17.730 4.796 103 HA LEU 12 HA LEU 12 -22.858 15.409 5.525 104 1HB LEU 12 1HB LEU 12 -23.575 18.275 6.069 105 2HB LEU 12 2HB LEU 12 -24.235 16.831 6.812 106 HG LEU 12 HG LEU 12 -21.344 17.267 7.243 107 1HD1 LEU 12 1HD1 LEU 12 -21.910 19.528 7.515 108 2HD1 LEU 12 2HD1 LEU 12 -21.917 18.855 9.146 109 3HD1 LEU 12 3HD1 LEU 12 -23.439 19.139 8.302 110 1HD2 LEU 12 1HD2 LEU 12 -22.259 16.752 9.630 111 2HD2 LEU 12 2HD2 LEU 12 -22.166 15.467 8.424 112 3HD2 LEU 12 3HD2 LEU 12 -23.710 16.254 8.758 113 H LYS 13 H LYS 13 -22.728 18.356 3.607 114 HA LYS 13 HA LYS 13 -23.860 19.051 1.763 115 1HB LYS 13 1HB LYS 13 -23.065 16.607 1.157 116 2HB LYS 13 2HB LYS 13 -24.791 16.268 1.203 117 1HG LYS 13 1HG LYS 13 -23.737 18.556 -0.409 118 2HG LYS 13 2HG LYS 13 -23.691 16.909 -1.040 119 1HD LYS 13 1HD LYS 13 -26.070 16.703 -0.860 120 2HD LYS 13 2HD LYS 13 -26.187 18.240 0.000 121 1HE LYS 13 1HE LYS 13 -26.858 18.519 -2.314 122 2HE LYS 13 2HE LYS 13 -25.367 19.406 -1.999 123 1HZ LYS 13 1HZ LYS 13 -24.133 17.958 -3.251 124 2HZ LYS 13 2HZ LYS 13 -25.590 17.935 -4.109 125 3HZ LYS 13 3HZ LYS 13 -25.211 16.668 -3.054 126 H GLY 14 H GLY 14 -25.556 20.256 2.363 127 1HA GLY 14 1HA GLY 14 -28.160 19.580 1.966 128 2HA GLY 14 2HA GLY 14 -27.876 19.116 3.637 129 H GLU 15 H GLU 15 -26.074 21.203 4.307 130 HA GLU 15 HA GLU 15 -27.239 23.741 3.714 131 1HB GLU 15 1HB GLU 15 -28.695 22.383 5.540 132 2HB GLU 15 2HB GLU 15 -27.529 23.160 6.603 133 1HG GLU 15 1HG GLU 15 -28.147 25.328 5.409 134 2HG GLU 15 2HG GLU 15 -29.526 24.434 4.769 135 H THR 16 H THR 16 -25.159 24.408 3.304 136 HA THR 16 HA THR 16 -22.948 23.946 4.989 137 HB THR 16 HB THR 16 -22.597 24.548 2.685 138 HG1 THR 16 HG1 THR 16 -20.950 25.252 4.003 139 1HG2 THR 16 1HG2 THR 16 -23.958 27.143 3.352 140 2HG2 THR 16 2HG2 THR 16 -24.463 25.932 2.173 141 3HG2 THR 16 3HG2 THR 16 -22.995 26.872 1.899 142 H THR 17 H THR 17 -22.137 25.017 6.703 143 HA THR 17 HA THR 17 -23.576 27.429 7.601 144 HB THR 17 HB THR 17 -22.208 25.567 9.513 145 HG1 THR 17 HG1 THR 17 -23.770 24.164 9.410 146 1HG2 THR 17 1HG2 THR 17 -23.345 26.610 11.142 147 2HG2 THR 17 2HG2 THR 17 -24.783 26.834 10.147 148 3HG2 THR 17 3HG2 THR 17 -23.406 27.922 9.965 149 H THR 18 H THR 18 -20.498 25.671 7.994 150 HA THR 18 HA THR 18 -19.141 28.219 8.479 151 HB THR 18 HB THR 18 -17.314 26.955 9.340 152 HG1 THR 18 HG1 THR 18 -18.583 24.727 8.145 153 1HG2 THR 18 1HG2 THR 18 -19.832 25.542 10.181 154 2HG2 THR 18 2HG2 THR 18 -19.179 27.018 10.890 155 3HG2 THR 18 3HG2 THR 18 -18.289 25.503 11.032 156 H GLU 19 H GLU 19 -17.648 29.076 7.122 157 HA GLU 19 HA GLU 19 -16.954 27.547 4.706 158 1HB GLU 19 1HB GLU 19 -17.058 29.766 3.471 159 2HB GLU 19 2HB GLU 19 -18.601 29.053 3.926 160 1HG GLU 19 1HG GLU 19 -17.461 30.907 5.894 161 2HG GLU 19 2HG GLU 19 -17.913 31.629 4.349 162 H ALA 20 H ALA 20 -14.853 27.135 5.005 163 HA ALA 20 HA ALA 20 -12.965 29.263 4.926 164 1HB ALA 20 1HB ALA 20 -12.484 27.677 7.365 165 2HB ALA 20 2HB ALA 20 -13.801 28.847 7.445 166 3HB ALA 20 3HB ALA 20 -12.171 29.381 7.036 167 H VAL 21 H VAL 21 -12.966 25.996 6.309 168 HA VAL 21 HA VAL 21 -10.597 25.287 4.844 169 HB VAL 21 HB VAL 21 -12.335 23.351 6.367 170 1HG1 VAL 21 1HG1 VAL 21 -10.369 22.053 6.575 171 2HG1 VAL 21 2HG1 VAL 21 -9.348 23.378 6.015 172 3HG1 VAL 21 3HG1 VAL 21 -10.440 22.568 4.890 173 1HG2 VAL 21 1HG2 VAL 21 -12.003 25.042 7.966 174 2HG2 VAL 21 2HG2 VAL 21 -10.354 25.351 7.422 175 3HG2 VAL 21 3HG2 VAL 21 -10.732 23.862 8.289 176 H ASP 22 H ASP 22 -12.051 25.915 2.841 177 HA ASP 22 HA ASP 22 -13.429 23.532 1.811 178 1HB ASP 22 1HB ASP 22 -14.523 25.851 1.808 179 2HB ASP 22 2HB ASP 22 -13.385 26.258 0.528 180 H ALA 23 H ALA 23 -12.902 22.618 -0.114 181 HA ALA 23 HA ALA 23 -10.254 22.327 -0.792 182 1HB ALA 23 1HB ALA 23 -11.092 20.773 -2.148 183 2HB ALA 23 2HB ALA 23 -11.998 21.969 -3.079 184 3HB ALA 23 3HB ALA 23 -12.684 21.295 -1.598 185 H ALA 24 H ALA 24 -12.642 24.520 -2.214 186 HA ALA 24 HA ALA 24 -10.930 25.588 -4.212 187 1HB ALA 24 1HB ALA 24 -13.238 27.128 -3.107 188 2HB ALA 24 2HB ALA 24 -13.528 25.638 -4.007 189 3HB ALA 24 3HB ALA 24 -12.679 26.981 -4.774 190 H THR 25 H THR 25 -11.527 26.360 -0.856 191 HA THR 25 HA THR 25 -10.488 28.970 -0.792 192 HB THR 25 HB THR 25 -10.649 26.813 1.323 193 HG1 THR 25 HG1 THR 25 -12.166 29.168 0.906 194 1HG2 THR 25 1HG2 THR 25 -10.608 29.109 2.745 195 2HG2 THR 25 2HG2 THR 25 -9.392 29.447 1.514 196 3HG2 THR 25 3HG2 THR 25 -9.232 28.023 2.545 197 H PHE 26 H PHE 26 -8.960 25.824 -0.582 198 HA PHE 26 HA PHE 26 -6.368 26.782 0.100 199 1HB PHE 26 1HB PHE 26 -7.277 24.384 0.324 200 2HB PHE 26 2HB PHE 26 -6.868 24.212 -1.381 201 HD1 PHE 26 HD1 PHE 26 -5.316 25.420 1.790 202 HD2 PHE 26 HD2 PHE 26 -4.804 23.361 -1.899 203 HE1 PHE 26 HE1 PHE 26 -2.987 24.914 2.401 204 HE2 PHE 26 HE2 PHE 26 -2.475 22.849 -1.294 205 HZ PHE 26 HZ PHE 26 -1.564 23.626 0.858 206 H GLU 27 H GLU 27 -7.844 25.777 -2.966 207 HA GLU 27 HA GLU 27 -5.672 26.110 -4.641 208 1HB GLU 27 1HB GLU 27 -8.599 26.578 -5.208 209 2HB GLU 27 2HB GLU 27 -7.356 26.473 -6.448 210 1HG GLU 27 1HG GLU 27 -6.825 24.181 -5.580 211 2HG GLU 27 2HG GLU 27 -8.261 24.312 -4.567 212 H LYS 28 H LYS 28 -8.194 28.545 -3.954 213 HA LYS 28 HA LYS 28 -6.971 30.573 -5.483 214 1HB LYS 28 1HB LYS 28 -9.392 30.437 -4.749 215 2HB LYS 28 2HB LYS 28 -8.858 31.018 -3.179 216 1HG LYS 28 1HG LYS 28 -7.845 32.989 -4.438 217 2HG LYS 28 2HG LYS 28 -8.809 32.446 -5.813 218 1HD LYS 28 1HD LYS 28 -10.059 34.124 -4.650 219 2HD LYS 28 2HD LYS 28 -10.828 32.565 -4.345 220 1HE LYS 28 1HE LYS 28 -10.284 32.576 -2.145 221 2HE LYS 28 2HE LYS 28 -8.757 33.414 -2.415 222 1HZ LYS 28 1HZ LYS 28 -9.745 35.448 -2.299 223 2HZ LYS 28 2HZ LYS 28 -10.763 34.596 -1.251 224 3HZ LYS 28 3HZ LYS 28 -11.248 34.895 -2.843 225 H VAL 29 H VAL 29 -6.951 30.005 -1.946 226 HA VAL 29 HA VAL 29 -5.451 32.292 -1.303 227 HB VAL 29 HB VAL 29 -5.642 29.672 0.194 228 1HG1 VAL 29 1HG1 VAL 29 -4.780 32.385 1.206 229 2HG1 VAL 29 2HG1 VAL 29 -3.702 31.020 0.905 230 3HG1 VAL 29 3HG1 VAL 29 -4.937 30.912 2.162 231 1HG2 VAL 29 1HG2 VAL 29 -7.583 30.378 1.110 232 2HG2 VAL 29 2HG2 VAL 29 -7.691 31.316 -0.379 233 3HG2 VAL 29 3HG2 VAL 29 -7.098 32.073 1.099 234 H VAL 30 H VAL 30 -4.430 28.982 -2.061 235 HA VAL 30 HA VAL 30 -1.692 29.444 -1.456 236 HB VAL 30 HB VAL 30 -2.900 27.286 -3.195 237 1HG1 VAL 30 1HG1 VAL 30 -0.564 27.429 -3.685 238 2HG1 VAL 30 2HG1 VAL 30 -0.799 26.049 -2.612 239 3HG1 VAL 30 3HG1 VAL 30 -0.157 27.562 -1.974 240 1HG2 VAL 30 1HG2 VAL 30 -1.931 26.716 -0.465 241 2HG2 VAL 30 2HG2 VAL 30 -3.313 26.058 -1.340 242 3HG2 VAL 30 3HG2 VAL 30 -3.421 27.651 -0.589 243 H LYS 31 H LYS 31 -3.494 29.445 -4.549 244 HA LYS 31 HA LYS 31 -1.247 29.920 -6.170 245 1HB LYS 31 1HB LYS 31 -3.600 29.195 -6.866 246 2HB LYS 31 2HB LYS 31 -4.039 30.894 -6.754 247 1HG LYS 31 1HG LYS 31 -2.396 31.452 -8.453 248 2HG LYS 31 2HG LYS 31 -1.892 29.764 -8.538 249 1HD LYS 31 1HD LYS 31 -3.785 29.110 -9.647 250 2HD LYS 31 2HD LYS 31 -4.771 30.391 -8.940 251 1HE LYS 31 1HE LYS 31 -3.246 31.964 -10.346 252 2HE LYS 31 2HE LYS 31 -2.903 30.502 -11.271 253 1HZ LYS 31 1HZ LYS 31 -5.157 30.280 -11.856 254 2HZ LYS 31 2HZ LYS 31 -4.790 31.913 -12.099 255 3HZ LYS 31 3HZ LYS 31 -5.661 31.436 -10.728 256 H GLN 32 H GLN 32 -3.566 32.106 -4.634 257 HA GLN 32 HA GLN 32 -2.517 34.498 -5.687 258 1HB GLN 32 1HB GLN 32 -4.761 34.173 -4.555 259 2HB GLN 32 2HB GLN 32 -3.899 34.208 -3.021 260 1HG GLN 32 1HG GLN 32 -4.464 36.389 -3.138 261 2HG GLN 32 2HG GLN 32 -2.955 36.465 -4.047 262 1HE2 GLN 32 1HE2 GLN 32 -6.448 36.293 -4.328 263 2HE2 GLN 32 2HE2 GLN 32 -6.545 36.987 -5.906 264 H PHE 33 H PHE 33 -1.857 32.775 -2.627 265 HA PHE 33 HA PHE 33 -0.047 34.693 -1.635 266 1HB PHE 33 1HB PHE 33 -0.964 33.389 0.019 267 2HB PHE 33 2HB PHE 33 -0.885 31.923 -0.937 268 HD1 PHE 33 HD1 PHE 33 1.644 34.343 0.433 269 HD2 PHE 33 HD2 PHE 33 0.347 30.314 -0.001 270 HE1 PHE 33 HE1 PHE 33 3.600 33.573 1.723 271 HE2 PHE 33 HE2 PHE 33 2.299 29.538 1.275 272 HZ PHE 33 HZ PHE 33 3.932 31.159 2.133 273 H PHE 34 H PHE 34 0.483 31.619 -3.361 274 HA PHE 34 HA PHE 34 3.317 31.944 -3.279 275 1HB PHE 34 1HB PHE 34 1.484 29.948 -4.519 276 2HB PHE 34 2HB PHE 34 3.171 30.008 -5.038 277 HD1 PHE 34 HD1 PHE 34 0.908 29.318 -2.239 278 HD2 PHE 34 HD2 PHE 34 4.959 29.436 -3.534 279 HE1 PHE 34 HE1 PHE 34 1.592 28.109 -0.206 280 HE2 PHE 34 HE2 PHE 34 5.650 28.226 -1.509 281 HZ PHE 34 HZ PHE 34 3.969 27.572 0.165 282 H ASN 35 H ASN 35 0.856 32.787 -5.633 283 HA ASN 35 HA ASN 35 2.495 33.174 -7.866 284 1HB ASN 35 1HB ASN 35 -0.099 34.381 -6.987 285 2HB ASN 35 2HB ASN 35 0.733 35.056 -8.383 286 1HD2 ASN 35 1HD2 ASN 35 0.869 31.633 -7.595 287 2HD2 ASN 35 2HD2 ASN 35 -0.092 31.107 -8.929 288 H ASP 36 H ASP 36 2.060 35.107 -5.016 289 HA ASP 36 HA ASP 36 3.131 37.545 -5.886 290 1HB ASP 36 1HB ASP 36 2.979 36.254 -3.169 291 2HB ASP 36 2HB ASP 36 3.645 37.867 -3.410 292 H ASN 37 H ASN 37 4.702 34.562 -5.362 293 HA ASN 37 HA ASN 37 7.313 35.911 -5.132 294 1HB ASN 37 1HB ASN 37 8.231 33.817 -4.292 295 2HB ASN 37 2HB ASN 37 6.851 34.324 -3.324 296 1HD2 ASN 37 1HD2 ASN 37 5.430 32.829 -2.873 297 2HD2 ASN 37 2HD2 ASN 37 5.165 31.370 -3.758 298 H GLY 38 H GLY 38 5.379 33.998 -7.262 299 1HA GLY 38 1HA GLY 38 6.309 34.291 -9.609 300 2HA GLY 38 2HA GLY 38 7.750 33.532 -8.963 301 H VAL 39 H VAL 39 4.820 32.230 -7.725 302 HA VAL 39 HA VAL 39 5.287 29.799 -9.260 303 HB VAL 39 HB VAL 39 3.240 30.231 -7.083 304 1HG1 VAL 39 1HG1 VAL 39 4.513 27.658 -7.983 305 2HG1 VAL 39 2HG1 VAL 39 3.010 28.272 -8.672 306 3HG1 VAL 39 3HG1 VAL 39 3.097 27.876 -6.956 307 1HG2 VAL 39 1HG2 VAL 39 5.178 28.783 -5.894 308 2HG2 VAL 39 2HG2 VAL 39 5.062 30.540 -5.787 309 3HG2 VAL 39 3HG2 VAL 39 6.153 29.798 -6.956 310 H ASP 40 H ASP 40 3.801 28.846 -10.636 311 HA ASP 40 HA ASP 40 1.225 30.093 -11.079 312 1HB ASP 40 1HB ASP 40 3.477 30.242 -13.065 313 2HB ASP 40 2HB ASP 40 1.800 30.251 -13.601 314 H GLY 41 H GLY 41 0.301 28.973 -13.247 315 1HA GLY 41 1HA GLY 41 0.379 26.844 -14.493 316 2HA GLY 41 2HA GLY 41 0.889 26.083 -12.996 317 H GLU 42 H GLU 42 -0.777 24.617 -12.873 318 HA GLU 42 HA GLU 42 -3.313 25.704 -11.965 319 1HB GLU 42 1HB GLU 42 -3.030 23.983 -14.419 320 2HB GLU 42 2HB GLU 42 -4.527 24.037 -13.498 321 1HG GLU 42 1HG GLU 42 -5.004 25.647 -15.005 322 2HG GLU 42 2HG GLU 42 -4.171 26.649 -13.818 323 H TRP 43 H TRP 43 -4.674 24.105 -10.930 324 HA TRP 43 HA TRP 43 -3.146 22.250 -9.385 325 1HB TRP 43 1HB TRP 43 -6.079 22.916 -9.521 326 2HB TRP 43 2HB TRP 43 -5.467 21.625 -8.492 327 HD1 TRP 43 HD1 TRP 43 -5.748 25.387 -8.707 328 HE1 TRP 43 HE1 TRP 43 -4.864 26.432 -6.528 329 HE3 TRP 43 HE3 TRP 43 -3.672 21.221 -6.591 330 HZ2 TRP 43 HZ2 TRP 43 -3.470 25.601 -4.217 331 HZ3 TRP 43 HZ3 TRP 43 -2.583 21.432 -4.395 332 HH2 TRP 43 HH2 TRP 43 -2.484 23.577 -3.234 333 H THR 44 H THR 44 -2.599 20.291 -9.907 334 HA THR 44 HA THR 44 -4.248 18.827 -11.855 335 HB THR 44 HB THR 44 -2.221 17.592 -12.464 336 HG1 THR 44 HG1 THR 44 -0.647 17.590 -11.104 337 1HG2 THR 44 1HG2 THR 44 -2.771 19.959 -13.416 338 2HG2 THR 44 2HG2 THR 44 -1.239 19.169 -13.791 339 3HG2 THR 44 3HG2 THR 44 -1.307 20.418 -12.548 340 H TYR 45 H TYR 45 -4.882 16.805 -11.410 341 HA TYR 45 HA TYR 45 -5.015 16.007 -8.673 342 1HB TYR 45 1HB TYR 45 -5.954 14.808 -11.259 343 2HB TYR 45 2HB TYR 45 -6.009 13.862 -9.775 344 HD1 TYR 45 HD1 TYR 45 -7.566 16.489 -11.700 345 HD2 TYR 45 HD2 TYR 45 -7.382 14.689 -7.850 346 HE1 TYR 45 HE1 TYR 45 -9.703 17.553 -11.106 347 HE2 TYR 45 HE2 TYR 45 -9.518 15.747 -7.246 348 HH TYR 45 HH TYR 45 -10.779 18.217 -8.540 349 H ASP 46 H ASP 46 -4.002 14.332 -7.614 350 HA ASP 46 HA ASP 46 -1.391 13.638 -8.534 351 1HB ASP 46 1HB ASP 46 -2.963 12.516 -6.202 352 2HB ASP 46 2HB ASP 46 -1.233 12.329 -6.465 353 H ASP 47 H ASP 47 -0.593 11.415 -8.723 354 HA ASP 47 HA ASP 47 -2.127 9.899 -10.554 355 1HB ASP 47 1HB ASP 47 0.432 9.990 -10.299 356 2HB ASP 47 2HB ASP 47 0.220 8.817 -9.003 357 H ALA 48 H ALA 48 -3.508 8.246 -10.264 358 HA ALA 48 HA ALA 48 -4.744 7.760 -7.843 359 1HB ALA 48 1HB ALA 48 -5.411 7.159 -10.298 360 2HB ALA 48 2HB ALA 48 -6.036 6.218 -8.944 361 3HB ALA 48 3HB ALA 48 -4.685 5.602 -9.895 362 H THR 49 H THR 49 -4.564 6.297 -6.233 363 HA THR 49 HA THR 49 -2.373 4.343 -6.359 364 HB THR 49 HB THR 49 -3.000 5.980 -3.900 365 HG1 THR 49 HG1 THR 49 -1.486 7.377 -4.480 366 1HG2 THR 49 1HG2 THR 49 -0.552 4.375 -4.584 367 2HG2 THR 49 2HG2 THR 49 -1.845 3.838 -3.513 368 3HG2 THR 49 3HG2 THR 49 -0.870 5.243 -3.082 369 H LYS 50 H LYS 50 -2.620 2.533 -4.883 370 HA LYS 50 HA LYS 50 -5.416 2.117 -4.047 371 1HB LYS 50 1HB LYS 50 -3.602 0.396 -5.662 372 2HB LYS 50 2HB LYS 50 -4.690 -0.402 -4.534 373 1HG LYS 50 1HG LYS 50 -6.604 0.478 -5.618 374 2HG LYS 50 2HG LYS 50 -5.627 1.583 -6.587 375 1HD LYS 50 1HD LYS 50 -4.519 -0.776 -7.285 376 2HD LYS 50 2HD LYS 50 -6.173 -1.293 -6.956 377 1HE LYS 50 1HE LYS 50 -7.048 0.264 -8.545 378 2HE LYS 50 2HE LYS 50 -5.469 1.021 -8.752 379 1HZ LYS 50 1HZ LYS 50 -4.656 -0.848 -9.881 380 2HZ LYS 50 2HZ LYS 50 -6.194 -0.591 -10.533 381 3HZ LYS 50 3HZ LYS 50 -5.951 -1.826 -9.403 382 H THR 51 H THR 51 -5.647 1.742 -1.966 383 HA THR 51 HA THR 51 -3.345 0.739 -0.430 384 HB THR 51 HB THR 51 -5.689 2.463 0.411 385 HG1 THR 51 HG1 THR 51 -4.089 3.987 0.759 386 1HG2 THR 51 1HG2 THR 51 -3.420 1.581 2.176 387 2HG2 THR 51 2HG2 THR 51 -5.034 0.872 2.219 388 3HG2 THR 51 3HG2 THR 51 -4.808 2.577 2.616 389 H PHE 52 H PHE 52 -3.502 -1.200 0.531 390 HA PHE 52 HA PHE 52 -5.925 -2.736 0.195 391 1HB PHE 52 1HB PHE 52 -3.519 -3.595 -0.098 392 2HB PHE 52 2HB PHE 52 -3.461 -3.654 1.661 393 HD1 PHE 52 HD1 PHE 52 -5.856 -4.665 -1.022 394 HD2 PHE 52 HD2 PHE 52 -3.824 -5.722 2.564 395 HE1 PHE 52 HE1 PHE 52 -6.937 -6.875 -1.066 396 HE2 PHE 52 HE2 PHE 52 -4.900 -7.935 2.527 397 HZ PHE 52 HZ PHE 52 -6.459 -8.513 0.710 398 H THR 53 H THR 53 -7.537 -2.586 1.608 399 HA THR 53 HA THR 53 -6.981 -1.819 4.368 400 HB THR 53 HB THR 53 -9.620 -2.228 2.945 401 HG1 THR 53 HG1 THR 53 -9.655 -0.009 2.798 402 1HG2 THR 53 1HG2 THR 53 -9.809 -0.446 5.140 403 2HG2 THR 53 2HG2 THR 53 -9.095 -1.955 5.708 404 3HG2 THR 53 3HG2 THR 53 -10.650 -1.974 4.878 405 H VAL 54 H VAL 54 -6.838 -3.260 5.964 406 HA VAL 54 HA VAL 54 -7.159 -6.044 5.461 407 HB VAL 54 HB VAL 54 -6.919 -4.817 8.198 408 1HG1 VAL 54 1HG1 VAL 54 -6.418 -7.498 6.993 409 2HG1 VAL 54 2HG1 VAL 54 -7.246 -7.074 8.492 410 3HG1 VAL 54 3HG1 VAL 54 -5.487 -6.989 8.401 411 1HG2 VAL 54 1HG2 VAL 54 -4.831 -5.148 6.074 412 2HG2 VAL 54 2HG2 VAL 54 -4.402 -5.232 7.782 413 3HG2 VAL 54 3HG2 VAL 54 -5.137 -3.768 7.128 414 H THR 55 H THR 55 -8.553 -7.508 6.622 415 HA THR 55 HA THR 55 -10.960 -6.342 7.782 416 HB THR 55 HB THR 55 -11.064 -8.284 5.470 417 HG1 THR 55 HG1 THR 55 -12.022 -6.514 4.393 418 1HG2 THR 55 1HG2 THR 55 -13.542 -7.002 5.988 419 2HG2 THR 55 2HG2 THR 55 -12.983 -7.773 7.472 420 3HG2 THR 55 3HG2 THR 55 -13.160 -8.724 5.998 421 H GLU 56 H GLU 56 -10.257 -9.615 6.605 422 HA GLU 56 HA GLU 56 -9.476 -10.744 9.035 423 1HB GLU 56 1HB GLU 56 -11.641 -11.997 9.540 424 2HB GLU 56 2HB GLU 56 -11.580 -10.302 10.002 425 1HG GLU 56 1HG GLU 56 -12.689 -9.872 7.719 426 2HG GLU 56 2HG GLU 56 -13.076 -11.592 7.761 427 1H MET 1 1H MET 1 -9.959 15.929 2.587 428 2H MET 1 2H MET 1 -11.248 16.607 1.678 429 3H MET 1 3H MET 1 -10.099 17.630 2.438 430 HA MET 1 HA MET 1 -9.527 15.707 0.286 431 1HB MET 1 1HB MET 1 -10.263 18.598 0.359 432 2HB MET 1 2HB MET 1 -9.072 18.079 -0.827 433 1HG MET 1 1HG MET 1 -11.539 16.471 -0.664 434 2HG MET 1 2HG MET 1 -11.707 18.113 -1.285 435 1HE MET 1 1HE MET 1 -8.640 15.207 -3.128 436 2HE MET 1 2HE MET 1 -9.582 14.775 -1.700 437 3HE MET 1 3HE MET 1 -8.418 16.098 -1.622 438 H GLN 2 H GLN 2 -7.453 15.244 0.075 439 HA GLN 2 HA GLN 2 -5.516 16.570 1.801 440 1HB GLN 2 1HB GLN 2 -5.706 14.024 1.451 441 2HB GLN 2 2HB GLN 2 -4.914 14.310 -0.093 442 1HG GLN 2 1HG GLN 2 -2.974 15.197 0.999 443 2HG GLN 2 2HG GLN 2 -3.774 15.128 2.568 444 1HE2 GLN 2 1HE2 GLN 2 -1.999 13.415 0.201 445 2HE2 GLN 2 2HE2 GLN 2 -1.914 11.901 1.030 446 H TYR 3 H TYR 3 -4.278 18.185 1.122 447 HA TYR 3 HA TYR 3 -3.958 18.564 -1.774 448 1HB TYR 3 1HB TYR 3 -4.098 20.484 0.523 449 2HB TYR 3 2HB TYR 3 -3.300 20.954 -0.976 450 HD1 TYR 3 HD1 TYR 3 -6.473 20.366 0.669 451 HD2 TYR 3 HD2 TYR 3 -4.602 21.035 -3.092 452 HE1 TYR 3 HE1 TYR 3 -8.656 20.939 -0.308 453 HE2 TYR 3 HE2 TYR 3 -6.779 21.613 -4.079 454 HH TYR 3 HH TYR 3 -8.985 22.435 -3.323 455 H LYS 4 H LYS 4 -2.054 18.567 -2.687 456 HA LYS 4 HA LYS 4 0.324 18.232 -0.985 457 1HB LYS 4 1HB LYS 4 -0.489 17.127 -3.617 458 2HB LYS 4 2HB LYS 4 1.221 17.469 -3.399 459 1HG LYS 4 1HG LYS 4 1.002 16.118 -1.224 460 2HG LYS 4 2HG LYS 4 -0.513 15.534 -1.914 461 1HD LYS 4 1HD LYS 4 0.982 15.054 -4.012 462 2HD LYS 4 2HD LYS 4 2.293 15.083 -2.831 463 1HE LYS 4 1HE LYS 4 0.953 13.419 -1.487 464 2HE LYS 4 2HE LYS 4 -0.110 13.271 -2.886 465 1HZ LYS 4 1HZ LYS 4 1.512 12.254 -4.126 466 2HZ LYS 4 2HZ LYS 4 1.864 11.644 -2.588 467 3HZ LYS 4 3HZ LYS 4 2.788 12.909 -3.226 468 H VAL 5 H VAL 5 1.899 19.694 -0.995 469 HA VAL 5 HA VAL 5 2.177 21.532 -3.256 470 HB VAL 5 HB VAL 5 2.091 22.565 -0.420 471 1HG1 VAL 5 1HG1 VAL 5 3.461 23.765 -2.174 472 2HG1 VAL 5 2HG1 VAL 5 2.219 24.727 -1.370 473 3HG1 VAL 5 3HG1 VAL 5 1.940 24.107 -2.998 474 1HG2 VAL 5 1HG2 VAL 5 -0.051 22.492 -2.530 475 2HG2 VAL 5 2HG2 VAL 5 -0.067 23.655 -1.205 476 3HG2 VAL 5 3HG2 VAL 5 -0.136 21.927 -0.862 477 H ILE 6 H ILE 6 4.259 21.689 -3.834 478 HA ILE 6 HA ILE 6 6.288 20.729 -1.960 479 HB ILE 6 HB ILE 6 6.672 21.340 -4.885 480 1HG1 ILE 6 1HG1 ILE 6 6.129 18.615 -3.702 481 2HG1 ILE 6 2HG1 ILE 6 4.863 19.613 -4.410 482 1HG2 ILE 6 1HG2 ILE 6 8.225 19.632 -2.946 483 2HG2 ILE 6 2HG2 ILE 6 8.711 21.210 -3.566 484 3HG2 ILE 6 3HG2 ILE 6 8.590 19.832 -4.661 485 1HD1 ILE 6 1HD1 ILE 6 5.385 18.373 -6.224 486 2HD1 ILE 6 2HD1 ILE 6 7.052 18.115 -5.709 487 3HD1 ILE 6 3HD1 ILE 6 6.582 19.651 -6.436 488 H LEU 7 H LEU 7 7.408 22.181 -0.827 489 HA LEU 7 HA LEU 7 7.861 24.841 -2.013 490 1HB LEU 7 1HB LEU 7 7.205 23.965 0.733 491 2HB LEU 7 2HB LEU 7 8.429 25.214 0.616 492 HG LEU 7 HG LEU 7 6.521 26.232 -1.034 493 1HD1 LEU 7 1HD1 LEU 7 5.170 24.144 0.023 494 2HD1 LEU 7 2HD1 LEU 7 4.416 25.640 -0.526 495 3HD1 LEU 7 3HD1 LEU 7 4.778 25.412 1.185 496 1HD2 LEU 7 1HD2 LEU 7 6.837 26.586 1.945 497 2HD2 LEU 7 2HD2 LEU 7 5.859 27.645 0.927 498 3HD2 LEU 7 3HD2 LEU 7 7.599 27.526 0.663 499 H ASN 8 H ASN 8 9.894 25.298 -2.587 500 HA ASN 8 HA ASN 8 12.134 24.352 -1.031 501 1HB ASN 8 1HB ASN 8 13.247 23.265 -2.986 502 2HB ASN 8 2HB ASN 8 11.823 22.403 -2.411 503 1HD2 ASN 8 1HD2 ASN 8 13.392 23.385 -5.093 504 2HD2 ASN 8 2HD2 ASN 8 12.074 23.438 -6.209 505 H GLY 9 H GLY 9 13.344 26.122 -0.836 506 1HA GLY 9 1HA GLY 9 14.442 27.444 -3.101 507 2HA GLY 9 2HA GLY 9 13.173 28.420 -2.380 508 H LYS 10 H LYS 10 13.586 29.554 -0.543 509 HA LYS 10 HA LYS 10 14.767 30.554 1.122 510 1HB LYS 10 1HB LYS 10 14.956 28.047 1.799 511 2HB LYS 10 2HB LYS 10 16.622 28.198 1.255 512 1HG LYS 10 1HG LYS 10 15.384 30.008 3.315 513 2HG LYS 10 2HG LYS 10 16.255 28.525 3.712 514 1HD LYS 10 1HD LYS 10 18.129 29.576 2.219 515 2HD LYS 10 2HD LYS 10 17.284 31.086 2.568 516 1HE LYS 10 1HE LYS 10 18.479 29.156 4.550 517 2HE LYS 10 2HE LYS 10 19.025 30.793 4.191 518 1HZ LYS 10 1HZ LYS 10 16.555 31.324 4.905 519 2HZ LYS 10 2HZ LYS 10 17.804 31.204 6.039 520 3HZ LYS 10 3HZ LYS 10 16.755 29.900 5.795 521 H THR 11 H THR 11 15.628 32.199 -0.100 522 HA THR 11 HA THR 11 17.796 32.013 -1.854 523 HB THR 11 HB THR 11 17.381 34.511 -0.274 524 HG1 THR 11 HG1 THR 11 15.407 34.800 -0.959 525 1HG2 THR 11 1HG2 THR 11 17.318 34.330 -3.240 526 2HG2 THR 11 2HG2 THR 11 18.861 34.178 -2.399 527 3HG2 THR 11 3HG2 THR 11 17.886 35.634 -2.197 528 H LEU 12 H LEU 12 19.895 31.698 -1.536 529 HA LEU 12 HA LEU 12 20.995 32.182 1.154 530 1HB LEU 12 1HB LEU 12 20.875 29.789 0.031 531 2HB LEU 12 2HB LEU 12 22.331 30.344 -0.773 532 HG LEU 12 HG LEU 12 22.150 30.549 2.203 533 1HD1 LEU 12 1HD1 LEU 12 22.855 28.319 2.532 534 2HD1 LEU 12 2HD1 LEU 12 23.050 28.047 0.800 535 3HD1 LEU 12 3HD1 LEU 12 21.436 28.237 1.487 536 1HD2 LEU 12 1HD2 LEU 12 24.421 29.996 0.296 537 2HD2 LEU 12 2HD2 LEU 12 24.557 30.236 2.038 538 3HD2 LEU 12 3HD2 LEU 12 24.032 31.563 1.003 539 H LYS 13 H LYS 13 21.817 32.162 -2.286 540 HA LYS 13 HA LYS 13 24.011 34.036 -1.746 541 1HB LYS 13 1HB LYS 13 23.405 32.460 -4.255 542 2HB LYS 13 2HB LYS 13 24.819 33.470 -3.989 543 1HG LYS 13 1HG LYS 13 24.279 31.262 -2.075 544 2HG LYS 13 2HG LYS 13 24.915 30.866 -3.673 545 1HD LYS 13 1HD LYS 13 26.714 32.594 -3.238 546 2HD LYS 13 2HD LYS 13 26.151 32.625 -1.565 547 1HE LYS 13 1HE LYS 13 26.625 30.260 -1.331 548 2HE LYS 13 2HE LYS 13 27.095 30.161 -3.026 549 1HZ LYS 13 1HZ LYS 13 28.901 31.735 -2.539 550 2HZ LYS 13 2HZ LYS 13 29.043 30.300 -1.654 551 3HZ LYS 13 3HZ LYS 13 28.478 31.706 -0.900 552 H GLY 14 H GLY 14 23.420 36.104 -1.871 553 1HA GLY 14 1HA GLY 14 22.784 37.515 -4.067 554 2HA GLY 14 2HA GLY 14 21.210 36.921 -3.562 555 H GLU 15 H GLU 15 20.120 38.473 -2.571 556 HA GLU 15 HA GLU 15 21.525 40.100 -0.558 557 1HB GLU 15 1HB GLU 15 19.979 41.985 -1.227 558 2HB GLU 15 2HB GLU 15 21.225 41.574 -2.397 559 1HG GLU 15 1HG GLU 15 19.427 40.110 -3.495 560 2HG GLU 15 2HG GLU 15 18.285 41.027 -2.513 561 H THR 16 H THR 16 19.874 41.256 0.892 562 HA THR 16 HA THR 16 18.302 39.285 2.175 563 HB THR 16 HB THR 16 19.267 41.079 3.465 564 HG1 THR 16 HG1 THR 16 17.300 40.321 4.262 565 1HG2 THR 16 1HG2 THR 16 19.280 43.210 2.885 566 2HG2 THR 16 2HG2 THR 16 17.521 43.246 2.770 567 3HG2 THR 16 3HG2 THR 16 18.485 42.752 1.379 568 H THR 17 H THR 17 16.487 38.482 1.342 569 HA THR 17 HA THR 17 14.374 40.320 0.545 570 HB THR 17 HB THR 17 13.926 39.113 -1.547 571 HG1 THR 17 HG1 THR 17 15.048 37.412 -2.130 572 1HG2 THR 17 1HG2 THR 17 16.814 39.911 -1.607 573 2HG2 THR 17 2HG2 THR 17 15.505 41.089 -1.506 574 3HG2 THR 17 3HG2 THR 17 15.615 40.011 -2.897 575 H THR 18 H THR 18 12.272 39.248 0.336 576 HA THR 18 HA THR 18 12.129 36.823 2.007 577 HB THR 18 HB THR 18 11.178 38.757 3.140 578 HG1 THR 18 HG1 THR 18 9.963 37.115 3.727 579 1HG2 THR 18 1HG2 THR 18 9.187 39.886 2.296 580 2HG2 THR 18 2HG2 THR 18 9.337 39.007 0.775 581 3HG2 THR 18 3HG2 THR 18 10.585 40.156 1.256 582 H GLU 19 H GLU 19 9.885 35.714 1.668 583 HA GLU 19 HA GLU 19 8.590 34.424 0.318 584 1HB GLU 19 1HB GLU 19 8.736 36.997 -1.210 585 2HB GLU 19 2HB GLU 19 7.941 35.602 -1.927 586 1HG GLU 19 1HG GLU 19 6.756 35.599 0.474 587 2HG GLU 19 2HG GLU 19 7.104 37.320 0.318 588 H ALA 20 H ALA 20 10.074 32.785 -0.035 589 HA ALA 20 HA ALA 20 11.105 32.650 -2.761 590 1HB ALA 20 1HB ALA 20 12.854 32.171 -0.350 591 2HB ALA 20 2HB ALA 20 12.977 33.530 -1.469 592 3HB ALA 20 3HB ALA 20 13.312 31.892 -2.030 593 H VAL 21 H VAL 21 8.949 31.360 -1.255 594 HA VAL 21 HA VAL 21 8.003 29.307 -0.910 595 HB VAL 21 HB VAL 21 10.070 28.311 -2.873 596 1HG1 VAL 21 1HG1 VAL 21 8.529 26.611 -3.405 597 2HG1 VAL 21 2HG1 VAL 21 7.224 27.412 -2.530 598 3HG1 VAL 21 3HG1 VAL 21 8.564 26.686 -1.643 599 1HG2 VAL 21 1HG2 VAL 21 9.147 30.230 -3.908 600 2HG2 VAL 21 2HG2 VAL 21 7.520 29.837 -3.354 601 3HG2 VAL 21 3HG2 VAL 21 8.292 28.849 -4.593 602 H ASP 22 H ASP 22 9.218 29.654 1.232 603 HA ASP 22 HA ASP 22 11.280 27.609 1.678 604 1HB ASP 22 1HB ASP 22 11.575 30.062 2.377 605 2HB ASP 22 2HB ASP 22 10.420 29.706 3.658 606 H ALA 23 H ALA 23 11.134 26.075 3.222 607 HA ALA 23 HA ALA 23 8.740 24.795 3.663 608 1HB ALA 23 1HB ALA 23 10.084 23.259 4.552 609 2HB ALA 23 2HB ALA 23 10.607 24.355 5.832 610 3HB ALA 23 3HB ALA 23 11.408 24.386 4.260 611 H ALA 24 H ALA 24 10.396 27.114 5.769 612 HA ALA 24 HA ALA 24 8.532 26.976 7.905 613 1HB ALA 24 1HB ALA 24 10.188 29.407 7.394 614 2HB ALA 24 2HB ALA 24 10.969 27.892 7.849 615 3HB ALA 24 3HB ALA 24 9.779 28.628 8.922 616 H THR 25 H THR 25 8.692 28.822 4.944 617 HA THR 25 HA THR 25 6.884 30.876 5.585 618 HB THR 25 HB THR 25 7.611 29.581 2.950 619 HG1 THR 25 HG1 THR 25 8.324 32.083 4.067 620 1HG2 THR 25 1HG2 THR 25 6.782 32.054 2.246 621 2HG2 THR 25 2HG2 THR 25 5.583 31.624 3.465 622 3HG2 THR 25 3HG2 THR 25 5.828 30.580 2.061 623 H PHE 26 H PHE 26 6.414 27.609 4.408 624 HA PHE 26 HA PHE 26 3.623 27.856 3.910 625 1HB PHE 26 1HB PHE 26 5.225 26.036 3.046 626 2HB PHE 26 2HB PHE 26 4.977 25.262 4.609 627 HD1 PHE 26 HD1 PHE 26 2.976 26.770 1.845 628 HD2 PHE 26 HD2 PHE 26 3.306 23.700 4.773 629 HE1 PHE 26 HE1 PHE 26 0.896 25.754 1.009 630 HE2 PHE 26 HE2 PHE 26 1.229 22.677 3.941 631 HZ PHE 26 HZ PHE 26 0.021 23.705 2.057 632 H GLU 27 H GLU 27 5.486 26.533 6.624 633 HA GLU 27 HA GLU 27 3.400 25.667 8.219 634 1HB GLU 27 1HB GLU 27 6.058 26.845 9.031 635 2HB GLU 27 2HB GLU 27 4.970 26.013 10.133 636 1HG GLU 27 1HG GLU 27 5.135 24.012 8.635 637 2HG GLU 27 2HG GLU 27 6.406 24.862 7.758 638 H LYS 28 H LYS 28 4.991 28.862 8.377 639 HA LYS 28 HA LYS 28 3.267 29.872 10.365 640 1HB LYS 28 1HB LYS 28 5.568 30.722 9.744 641 2HB LYS 28 2HB LYS 28 4.811 31.523 8.375 642 1HG LYS 28 1HG LYS 28 3.283 32.636 10.083 643 2HG LYS 28 2HG LYS 28 4.426 32.061 11.298 644 1HD LYS 28 1HD LYS 28 5.035 34.300 10.721 645 2HD LYS 28 2HD LYS 28 6.240 33.215 10.022 646 1HE LYS 28 1HE LYS 28 5.621 33.682 7.891 647 2HE LYS 28 2HE LYS 28 3.922 33.885 8.316 648 1HZ LYS 28 1HZ LYS 28 4.215 36.071 8.832 649 2HZ LYS 28 2HZ LYS 28 5.399 35.917 7.633 650 3HZ LYS 28 3HZ LYS 28 5.841 35.885 9.265 651 H VAL 29 H VAL 29 3.257 30.365 6.819 652 HA VAL 29 HA VAL 29 1.085 32.147 6.789 653 HB VAL 29 HB VAL 29 2.014 30.266 4.613 654 1HG1 VAL 29 1HG1 VAL 29 0.298 32.741 4.385 655 2HG1 VAL 29 2HG1 VAL 29 -0.280 31.082 4.229 656 3HG1 VAL 29 3HG1 VAL 29 0.864 31.733 3.054 657 1HG2 VAL 29 1HG2 VAL 29 3.586 31.780 4.021 658 2HG2 VAL 29 2HG2 VAL 29 3.478 32.223 5.725 659 3HG2 VAL 29 3HG2 VAL 29 2.600 33.158 4.513 660 H VAL 30 H VAL 30 1.192 28.614 6.516 661 HA VAL 30 HA VAL 30 -1.578 28.344 5.941 662 HB VAL 30 HB VAL 30 0.326 26.273 7.045 663 1HG1 VAL 30 1HG1 VAL 30 -1.903 25.520 7.444 664 2HG1 VAL 30 2HG1 VAL 30 -1.307 24.663 6.024 665 3HG1 VAL 30 3HG1 VAL 30 -2.422 26.016 5.833 666 1HG2 VAL 30 1HG2 VAL 30 -0.539 26.226 4.223 667 2HG2 VAL 30 2HG2 VAL 30 1.024 25.828 4.940 668 3HG2 VAL 30 3HG2 VAL 30 0.577 27.515 4.677 669 H LYS 31 H LYS 31 0.277 28.022 8.985 670 HA LYS 31 HA LYS 31 -1.926 27.284 10.568 671 1HB LYS 31 1HB LYS 31 0.568 27.168 11.135 672 2HB LYS 31 2HB LYS 31 0.446 28.875 11.535 673 1HG LYS 31 1HG LYS 31 -1.207 28.380 13.243 674 2HG LYS 31 2HG LYS 31 -1.149 26.668 12.819 675 1HD LYS 31 1HD LYS 31 0.910 26.358 13.777 676 2HD LYS 31 2HD LYS 31 1.399 28.034 13.520 677 1HE LYS 31 1HE LYS 31 -0.475 28.561 15.247 678 2HE LYS 31 2HE LYS 31 -0.296 26.863 15.687 679 1HZ LYS 31 1HZ LYS 31 1.942 27.205 16.289 680 2HZ LYS 31 2HZ LYS 31 1.086 28.485 16.986 681 3HZ LYS 31 3HZ LYS 31 1.994 28.741 15.582 682 H GLN 32 H GLN 32 -0.483 30.431 9.831 683 HA GLN 32 HA GLN 32 -2.176 31.968 11.475 684 1HB GLN 32 1HB GLN 32 -0.003 32.703 10.405 685 2HB GLN 32 2HB GLN 32 -0.898 32.896 8.904 686 1HG GLN 32 1HG GLN 32 -1.043 35.018 9.661 687 2HG GLN 32 2HG GLN 32 -2.460 34.356 10.474 688 1HE2 GLN 32 1HE2 GLN 32 0.913 35.228 10.876 689 2HE2 GLN 32 2HE2 GLN 32 0.852 35.435 12.589 690 H PHE 33 H PHE 33 -2.408 31.079 8.022 691 HA PHE 33 HA PHE 33 -4.773 32.532 7.536 692 1HB PHE 33 1HB PHE 33 -3.572 32.111 5.622 693 2HB PHE 33 2HB PHE 33 -3.144 30.485 6.116 694 HD1 PHE 33 HD1 PHE 33 -6.364 32.280 5.378 695 HD2 PHE 33 HD2 PHE 33 -3.856 28.912 4.701 696 HE1 PHE 33 HE1 PHE 33 -8.040 31.340 3.830 697 HE2 PHE 33 HE2 PHE 33 -5.525 27.963 3.165 698 HZ PHE 33 HZ PHE 33 -7.619 29.170 2.731 699 H PHE 34 H PHE 34 -4.231 29.091 8.283 700 HA PHE 34 HA PHE 34 -7.024 28.520 8.166 701 1HB PHE 34 1HB PHE 34 -4.600 26.932 8.866 702 2HB PHE 34 2HB PHE 34 -6.194 26.309 9.302 703 HD1 PHE 34 HD1 PHE 34 -3.966 27.199 6.529 704 HD2 PHE 34 HD2 PHE 34 -7.780 25.656 7.617 705 HE1 PHE 34 HE1 PHE 34 -4.334 26.469 4.207 706 HE2 PHE 34 HE2 PHE 34 -8.151 24.921 5.301 707 HZ PHE 34 HZ PHE 34 -6.435 25.340 3.588 708 H ASN 35 H ASN 35 -4.841 29.382 10.776 709 HA ASN 35 HA ASN 35 -6.411 28.576 12.945 710 1HB ASN 35 1HB ASN 35 -4.373 30.735 12.573 711 2HB ASN 35 2HB ASN 35 -5.306 30.686 14.062 712 1HD2 ASN 35 1HD2 ASN 35 -4.402 27.768 12.324 713 2HD2 ASN 35 2HD2 ASN 35 -3.260 27.213 13.495 714 H ASP 36 H ASP 36 -6.741 31.279 10.793 715 HA ASP 36 HA ASP 36 -8.481 32.899 12.273 716 1HB ASP 36 1HB ASP 36 -8.067 32.558 9.311 717 2HB ASP 36 2HB ASP 36 -9.186 33.743 9.977 718 H ASN 37 H ASN 37 -9.057 29.857 10.844 719 HA ASN 37 HA ASN 37 -11.969 30.322 10.888 720 1HB ASN 37 1HB ASN 37 -12.220 28.380 9.440 721 2HB ASN 37 2HB ASN 37 -11.114 29.549 8.725 722 1HD2 ASN 37 1HD2 ASN 37 -9.322 28.769 7.930 723 2HD2 ASN 37 2HD2 ASN 37 -8.571 27.278 8.373 724 H GLY 38 H GLY 38 -9.433 28.601 12.477 725 1HA GLY 38 1HA GLY 38 -10.291 27.899 14.761 726 2HA GLY 38 2HA GLY 38 -11.453 26.946 13.860 727 H VAL 39 H VAL 39 -8.323 27.039 12.440 728 HA VAL 39 HA VAL 39 -7.934 24.251 13.188 729 HB VAL 39 HB VAL 39 -6.231 25.906 11.323 730 1HG1 VAL 39 1HG1 VAL 39 -6.589 22.918 11.402 731 2HG1 VAL 39 2HG1 VAL 39 -5.314 23.756 12.289 732 3HG1 VAL 39 3HG1 VAL 39 -5.371 23.848 10.527 733 1HG2 VAL 39 1HG2 VAL 39 -7.671 24.325 9.682 734 2HG2 VAL 39 2HG2 VAL 39 -8.116 25.984 10.084 735 3HG2 VAL 39 3HG2 VAL 39 -8.865 24.638 10.942 736 H ASP 40 H ASP 40 -6.163 23.460 14.303 737 HA ASP 40 HA ASP 40 -4.087 25.269 15.201 738 1HB ASP 40 1HB ASP 40 -6.174 24.133 17.043 739 2HB ASP 40 2HB ASP 40 -4.558 24.507 17.633 740 H GLY 41 H GLY 41 -2.750 23.925 16.995 741 1HA GLY 41 1HA GLY 41 -2.100 21.616 17.572 742 2HA GLY 41 2HA GLY 41 -2.418 21.198 15.896 743 H GLU 42 H GLU 42 -0.384 20.427 15.439 744 HA GLU 42 HA GLU 42 1.639 22.464 15.001 745 1HB GLU 42 1HB GLU 42 2.029 20.113 16.840 746 2HB GLU 42 2HB GLU 42 3.385 20.905 16.049 747 1HG GLU 42 1HG GLU 42 3.396 22.073 17.980 748 2HG GLU 42 2HG GLU 42 2.233 23.058 17.091 749 H TRP 43 H TRP 43 3.381 21.740 13.616 750 HA TRP 43 HA TRP 43 2.442 20.025 11.534 751 1HB TRP 43 1HB TRP 43 5.020 21.511 11.993 752 2HB TRP 43 2HB TRP 43 4.798 20.443 10.611 753 HD1 TRP 43 HD1 TRP 43 3.894 23.877 11.902 754 HE1 TRP 43 HE1 TRP 43 2.625 25.168 10.073 755 HE3 TRP 43 HE3 TRP 43 3.129 20.054 8.594 756 HZ2 TRP 43 HZ2 TRP 43 1.452 24.634 7.559 757 HZ3 TRP 43 HZ3 TRP 43 1.924 20.528 6.502 758 HH2 TRP 43 HH2 TRP 43 1.104 22.771 5.997 759 H THR 44 H THR 44 2.565 17.930 11.447 760 HA THR 44 HA THR 44 4.682 16.568 12.969 761 HB THR 44 HB THR 44 3.182 14.638 13.111 762 HG1 THR 44 HG1 THR 44 1.642 14.533 11.713 763 1HG2 THR 44 1HG2 THR 44 3.007 16.684 14.721 764 2HG2 THR 44 2HG2 THR 44 1.823 15.378 14.790 765 3HG2 THR 44 3HG2 THR 44 1.429 16.883 13.959 766 H TYR 45 H TYR 45 5.895 15.062 11.995 767 HA TYR 45 HA TYR 45 6.142 15.162 9.154 768 1HB TYR 45 1HB TYR 45 7.529 13.632 11.330 769 2HB TYR 45 2HB TYR 45 7.809 13.217 9.642 770 HD1 TYR 45 HD1 TYR 45 8.559 15.525 12.311 771 HD2 TYR 45 HD2 TYR 45 8.755 14.955 8.101 772 HE1 TYR 45 HE1 TYR 45 10.227 17.326 12.151 773 HE2 TYR 45 HE2 TYR 45 10.423 16.752 7.928 774 HH TYR 45 HH TYR 45 10.914 19.005 9.940 775 H ASP 46 H ASP 46 5.650 13.635 7.613 776 HA ASP 46 HA ASP 46 3.437 11.921 8.177 777 1HB ASP 46 1HB ASP 46 5.164 12.065 5.694 778 2HB ASP 46 2HB ASP 46 3.594 11.278 5.815 779 H ASP 47 H ASP 47 3.390 9.603 7.681 780 HA ASP 47 HA ASP 47 5.408 8.192 9.072 781 1HB ASP 47 1HB ASP 47 2.949 7.536 8.747 782 2HB ASP 47 2HB ASP 47 3.441 6.924 7.171 783 H ALA 48 H ALA 48 7.229 7.215 8.396 784 HA ALA 48 HA ALA 48 8.449 7.843 5.998 785 1HB ALA 48 1HB ALA 48 9.383 6.812 8.209 786 2HB ALA 48 2HB ALA 48 10.203 6.524 6.674 787 3HB ALA 48 3HB ALA 48 9.150 5.285 7.358 788 H THR 49 H THR 49 8.648 6.922 4.028 789 HA THR 49 HA THR 49 7.180 4.432 3.490 790 HB THR 49 HB THR 49 7.150 6.817 1.637 791 HG1 THR 49 HG1 THR 49 5.305 7.440 2.524 792 1HG2 THR 49 1HG2 THR 49 5.369 4.395 1.712 793 2HG2 THR 49 2HG2 THR 49 6.709 4.633 0.591 794 3HG2 THR 49 3HG2 THR 49 5.318 5.716 0.545 795 H LYS 50 H LYS 50 7.907 3.289 1.568 796 HA LYS 50 HA LYS 50 10.647 4.026 0.770 797 1HB LYS 50 1HB LYS 50 9.550 1.432 1.737 798 2HB LYS 50 2HB LYS 50 10.791 1.386 0.492 799 1HG LYS 50 1HG LYS 50 12.359 2.484 1.889 800 2HG LYS 50 2HG LYS 50 11.116 2.884 3.077 801 1HD LYS 50 1HD LYS 50 10.858 0.207 3.021 802 2HD LYS 50 2HD LYS 50 12.570 0.353 2.623 803 1HE LYS 50 1HE LYS 50 13.002 1.581 4.629 804 2HE LYS 50 2HE LYS 50 11.279 1.710 4.982 805 1HZ LYS 50 1HZ LYS 50 11.153 -0.570 5.474 806 2HZ LYS 50 2HZ LYS 50 12.552 -0.029 6.254 807 3HZ LYS 50 3HZ LYS 50 12.674 -0.896 4.808 808 H THR 51 H THR 51 10.874 4.357 -1.313 809 HA THR 51 HA THR 51 8.934 3.165 -3.178 810 HB THR 51 HB THR 51 10.588 5.694 -3.378 811 HG1 THR 51 HG1 THR 51 8.589 6.686 -3.337 812 1HG2 THR 51 1HG2 THR 51 8.626 4.695 -5.426 813 2HG2 THR 51 2HG2 THR 51 10.378 4.575 -5.595 814 3HG2 THR 51 3HG2 THR 51 9.607 6.159 -5.494 815 H PHE 52 H PHE 52 9.647 1.731 -4.644 816 HA PHE 52 HA PHE 52 12.443 1.010 -4.642 817 1HB PHE 52 1HB PHE 52 10.451 -0.615 -4.723 818 2HB PHE 52 2HB PHE 52 10.334 -0.185 -6.428 819 HD1 PHE 52 HD1 PHE 52 13.049 -1.101 -4.029 820 HD2 PHE 52 HD2 PHE 52 11.293 -1.683 -7.861 821 HE1 PHE 52 HE1 PHE 52 14.778 -2.769 -4.563 822 HE2 PHE 52 HE2 PHE 52 13.017 -3.354 -8.402 823 HZ PHE 52 HZ PHE 52 14.763 -3.898 -6.752 824 H THR 53 H THR 53 13.857 2.066 -5.871 825 HA THR 53 HA THR 53 12.964 3.369 -8.323 826 HB THR 53 HB THR 53 15.661 3.422 -6.951 827 HG1 THR 53 HG1 THR 53 15.004 5.415 -6.196 828 1HG2 THR 53 1HG2 THR 53 15.186 5.718 -8.540 829 2HG2 THR 53 2HG2 THR 53 14.949 4.289 -9.546 830 3HG2 THR 53 3HG2 THR 53 16.470 4.519 -8.686 831 H VAL 54 H VAL 54 13.210 2.476 -10.269 832 HA VAL 54 HA VAL 54 14.416 -0.088 -10.560 833 HB VAL 54 HB VAL 54 13.667 1.724 -12.844 834 1HG1 VAL 54 1HG1 VAL 54 14.123 -1.198 -12.479 835 2HG1 VAL 54 2HG1 VAL 54 14.674 -0.124 -13.764 836 3HG1 VAL 54 3HG1 VAL 54 12.991 -0.649 -13.715 837 1HG2 VAL 54 1HG2 VAL 54 11.900 0.145 -11.008 838 2HG2 VAL 54 2HG2 VAL 54 11.437 0.434 -12.685 839 3HG2 VAL 54 3HG2 VAL 54 11.701 1.797 -11.597 840 H THR 55 H THR 55 16.143 -0.643 -12.030 841 HA THR 55 HA THR 55 18.001 1.501 -12.696 842 HB THR 55 HB THR 55 18.822 -0.885 -11.034 843 HG1 THR 55 HG1 THR 55 19.228 0.708 -9.451 844 1HG2 THR 55 1HG2 THR 55 20.744 1.207 -11.057 845 2HG2 THR 55 2HG2 THR 55 20.386 0.742 -12.720 846 3HG2 THR 55 3HG2 THR 55 20.925 -0.473 -11.560 847 H GLU 56 H GLU 56 18.425 -2.016 -12.534 848 HA GLU 56 HA GLU 56 17.923 -2.594 -15.219 849 1HB GLU 56 1HB GLU 56 20.345 -2.910 -15.956 850 2HB GLU 56 2HB GLU 56 19.739 -1.260 -15.917 851 1HG GLU 56 1HG GLU 56 20.762 -1.190 -13.550 852 2HG GLU 56 2HG GLU 56 21.670 -2.605 -14.079 853 1H MET 1 1H MET 1 4.199 0.464 8.511 854 2H MET 1 2H MET 1 5.646 -0.155 9.194 855 3H MET 1 3H MET 1 4.794 -1.066 8.015 856 HA MET 1 HA MET 1 6.065 1.552 7.576 857 1HB MET 1 1HB MET 1 6.957 -1.279 7.274 858 2HB MET 1 2HB MET 1 7.472 -0.117 6.058 859 1HG MET 1 1HG MET 1 7.828 0.695 8.869 860 2HG MET 1 2HG MET 1 8.840 -0.631 8.299 861 1HE MET 1 1HE MET 1 8.709 3.365 6.006 862 2HE MET 1 2HE MET 1 7.650 3.053 7.382 863 3HE MET 1 3HE MET 1 7.487 2.096 5.910 864 H GLN 2 H GLN 2 5.394 2.547 5.804 865 HA GLN 2 HA GLN 2 3.458 1.220 4.077 866 1HB GLN 2 1HB GLN 2 3.229 3.608 5.016 867 2HB GLN 2 2HB GLN 2 4.404 4.063 3.789 868 1HG GLN 2 1HG GLN 2 2.935 3.349 2.034 869 2HG GLN 2 2HG GLN 2 1.791 2.694 3.204 870 1HE2 GLN 2 1HE2 GLN 2 2.881 5.475 1.541 871 2HE2 GLN 2 2HE2 GLN 2 1.741 6.595 2.198 872 H TYR 3 H TYR 3 4.007 0.282 2.229 873 HA TYR 3 HA TYR 3 6.596 0.991 1.028 874 1HB TYR 3 1HB TYR 3 5.028 -1.561 1.121 875 2HB TYR 3 2HB TYR 3 6.204 -1.293 -0.163 876 HD1 TYR 3 HD1 TYR 3 5.724 -2.074 3.344 877 HD2 TYR 3 HD2 TYR 3 8.601 -0.980 0.407 878 HE1 TYR 3 HE1 TYR 3 7.529 -2.798 4.849 879 HE2 TYR 3 HE2 TYR 3 10.413 -1.702 1.902 880 HH TYR 3 HH TYR 3 10.734 -3.213 3.812 881 H LYS 4 H LYS 4 6.736 1.755 -0.935 882 HA LYS 4 HA LYS 4 4.264 2.061 -2.506 883 1HB LYS 4 1HB LYS 4 6.664 3.761 -2.106 884 2HB LYS 4 2HB LYS 4 5.933 3.788 -3.704 885 1HG LYS 4 1HG LYS 4 3.727 4.224 -2.461 886 2HG LYS 4 2HG LYS 4 4.756 4.627 -1.085 887 1HD LYS 4 1HD LYS 4 5.989 6.134 -2.837 888 2HD LYS 4 2HD LYS 4 4.460 6.018 -3.710 889 1HE LYS 4 1HE LYS 4 3.325 6.759 -1.584 890 2HE LYS 4 2HE LYS 4 4.929 7.106 -0.942 891 1HZ LYS 4 1HZ LYS 4 5.235 8.840 -2.399 892 2HZ LYS 4 2HZ LYS 4 3.576 8.968 -2.089 893 3HZ LYS 4 3HZ LYS 4 4.115 8.255 -3.525 894 H VAL 5 H VAL 5 4.058 1.116 -4.421 895 HA VAL 5 HA VAL 5 6.437 0.274 -5.909 896 HB VAL 5 HB VAL 5 4.151 -1.637 -5.415 897 1HG1 VAL 5 1HG1 VAL 5 5.518 -1.810 -7.534 898 2HG1 VAL 5 2HG1 VAL 5 5.470 -3.255 -6.526 899 3HG1 VAL 5 3HG1 VAL 5 6.893 -2.216 -6.508 900 1HG2 VAL 5 1HG2 VAL 5 6.806 -1.379 -4.030 901 2HG2 VAL 5 2HG2 VAL 5 5.904 -2.894 -4.064 902 3HG2 VAL 5 3HG2 VAL 5 5.197 -1.463 -3.314 903 H ILE 6 H ILE 6 6.239 0.838 -7.992 904 HA ILE 6 HA ILE 6 3.583 1.565 -8.981 905 HB ILE 6 HB ILE 6 6.222 2.096 -10.334 906 1HG1 ILE 6 1HG1 ILE 6 4.700 4.048 -8.607 907 2HG1 ILE 6 2HG1 ILE 6 6.023 3.069 -7.984 908 1HG2 ILE 6 1HG2 ILE 6 3.500 3.357 -10.623 909 2HG2 ILE 6 2HG2 ILE 6 4.265 2.253 -11.766 910 3HG2 ILE 6 3HG2 ILE 6 4.957 3.851 -11.484 911 1HD1 ILE 6 1HD1 ILE 6 7.197 4.917 -8.524 912 2HD1 ILE 6 2HD1 ILE 6 6.072 5.398 -9.795 913 3HD1 ILE 6 3HD1 ILE 6 7.252 4.121 -10.098 914 H LEU 7 H LEU 7 2.502 0.131 -10.174 915 HA LEU 7 HA LEU 7 4.042 -1.782 -11.804 916 1HB LEU 7 1HB LEU 7 1.592 -2.062 -10.174 917 2HB LEU 7 2HB LEU 7 1.550 -2.861 -11.734 918 HG LEU 7 HG LEU 7 3.966 -3.701 -10.809 919 1HD1 LEU 7 1HD1 LEU 7 3.003 -2.487 -8.596 920 2HD1 LEU 7 2HD1 LEU 7 4.123 -3.850 -8.574 921 3HD1 LEU 7 3HD1 LEU 7 2.394 -4.125 -8.364 922 1HD2 LEU 7 1HD2 LEU 7 1.248 -4.945 -10.410 923 2HD2 LEU 7 2HD2 LEU 7 2.770 -5.806 -10.175 924 3HD2 LEU 7 3HD2 LEU 7 2.348 -5.179 -11.768 925 H ASN 8 H ASN 8 3.941 -1.506 -13.940 926 HA ASN 8 HA ASN 8 1.506 -0.645 -15.224 927 1HB ASN 8 1HB ASN 8 2.596 1.274 -16.391 928 2HB ASN 8 2HB ASN 8 2.391 1.528 -14.660 929 1HD2 ASN 8 1HD2 ASN 8 4.462 1.936 -17.133 930 2HD2 ASN 8 2HD2 ASN 8 5.962 1.948 -16.275 931 H GLY 9 H GLY 9 1.357 -2.139 -16.767 932 1HA GLY 9 1HA GLY 9 3.714 -3.323 -17.948 933 2HA GLY 9 2HA GLY 9 2.045 -3.741 -18.303 934 H LYS 10 H LYS 10 4.812 -2.214 -19.437 935 HA LYS 10 HA LYS 10 3.380 -0.503 -21.319 936 1HB LYS 10 1HB LYS 10 6.363 -0.901 -21.062 937 2HB LYS 10 2HB LYS 10 5.533 0.393 -21.916 938 1HG LYS 10 1HG LYS 10 4.590 1.111 -19.702 939 2HG LYS 10 2HG LYS 10 5.681 -0.054 -18.947 940 1HD LYS 10 1HD LYS 10 6.887 1.931 -18.851 941 2HD LYS 10 2HD LYS 10 7.527 1.149 -20.296 942 1HE LYS 10 1HE LYS 10 7.012 2.970 -21.459 943 2HE LYS 10 2HE LYS 10 5.307 2.660 -21.134 944 1HZ LYS 10 1HZ LYS 10 5.908 4.874 -20.435 945 2HZ LYS 10 2HZ LYS 10 7.146 4.276 -19.452 946 3HZ LYS 10 3HZ LYS 10 5.532 3.941 -19.075 947 H THR 11 H THR 11 2.680 -1.366 -23.151 948 HA THR 11 HA THR 11 3.866 -3.802 -24.186 949 HB THR 11 HB THR 11 2.016 -3.677 -25.855 950 HG1 THR 11 HG1 THR 11 0.857 -1.941 -26.027 951 1HG2 THR 11 1HG2 THR 11 0.321 -4.358 -24.451 952 2HG2 THR 11 2HG2 THR 11 0.781 -3.227 -23.177 953 3HG2 THR 11 3HG2 THR 11 1.763 -4.660 -23.483 954 H LEU 12 H LEU 12 5.546 -3.736 -25.511 955 HA LEU 12 HA LEU 12 6.228 -1.323 -26.945 956 1HB LEU 12 1HB LEU 12 7.519 -3.993 -26.545 957 2HB LEU 12 2HB LEU 12 8.086 -2.938 -27.826 958 HG LEU 12 HG LEU 12 8.204 -1.176 -25.847 959 1HD1 LEU 12 1HD1 LEU 12 8.003 -3.816 -24.524 960 2HD1 LEU 12 2HD1 LEU 12 7.519 -2.217 -23.954 961 3HD1 LEU 12 3HD1 LEU 12 9.217 -2.693 -23.909 962 1HD2 LEU 12 1HD2 LEU 12 10.045 -2.031 -27.316 963 2HD2 LEU 12 2HD2 LEU 12 10.301 -3.319 -26.138 964 3HD2 LEU 12 3HD2 LEU 12 10.535 -1.634 -25.669 965 H LYS 13 H LYS 13 6.708 -1.327 -29.258 966 HA LYS 13 HA LYS 13 4.712 -2.898 -30.724 967 1HB LYS 13 1HB LYS 13 4.892 -0.293 -30.776 968 2HB LYS 13 2HB LYS 13 6.215 -0.584 -31.898 969 1HG LYS 13 1HG LYS 13 3.438 -1.678 -32.273 970 2HG LYS 13 2HG LYS 13 4.002 -0.155 -32.965 971 1HD LYS 13 1HD LYS 13 5.975 -1.768 -33.791 972 2HD LYS 13 2HD LYS 13 4.662 -2.943 -33.706 973 1HE LYS 13 1HE LYS 13 3.317 -1.641 -35.202 974 2HE LYS 13 2HE LYS 13 4.475 -0.312 -35.163 975 1HZ LYS 13 1HZ LYS 13 5.938 -1.428 -36.503 976 2HZ LYS 13 2HZ LYS 13 4.470 -1.989 -37.128 977 3HZ LYS 13 3HZ LYS 13 5.364 -2.961 -36.071 978 H GLY 14 H GLY 14 5.682 -4.799 -31.237 979 1HA GLY 14 1HA GLY 14 7.134 -5.247 -33.428 980 2HA GLY 14 2HA GLY 14 8.398 -4.820 -32.285 981 H GLU 15 H GLU 15 8.617 -6.137 -30.351 982 HA GLU 15 HA GLU 15 8.332 -8.928 -30.972 983 1HB GLU 15 1HB GLU 15 9.547 -7.380 -28.704 984 2HB GLU 15 2HB GLU 15 9.322 -9.120 -28.573 985 1HG GLU 15 1HG GLU 15 10.975 -9.584 -30.028 986 2HG GLU 15 2HG GLU 15 10.637 -8.176 -31.032 987 H THR 16 H THR 16 7.234 -10.489 -29.692 988 HA THR 16 HA THR 16 4.621 -9.737 -28.949 989 HB THR 16 HB THR 16 5.951 -12.292 -28.074 990 HG1 THR 16 HG1 THR 16 5.411 -13.096 -30.150 991 1HG2 THR 16 1HG2 THR 16 3.844 -12.608 -27.376 992 2HG2 THR 16 2HG2 THR 16 3.559 -12.993 -29.074 993 3HG2 THR 16 3HG2 THR 16 3.184 -11.382 -28.459 994 H THR 17 H THR 17 7.401 -10.764 -26.975 995 HA THR 17 HA THR 17 7.882 -10.530 -24.765 996 HB THR 17 HB THR 17 7.515 -8.402 -23.787 997 HG1 THR 17 HG1 THR 17 5.336 -8.138 -23.975 998 1HG2 THR 17 1HG2 THR 17 7.336 -7.313 -26.487 999 2HG2 THR 17 2HG2 THR 17 8.577 -8.549 -26.284 1000 3HG2 THR 17 3HG2 THR 17 8.584 -7.116 -25.256 1001 H THR 18 H THR 18 6.825 -10.150 -22.501 1002 HA THR 18 HA THR 18 4.103 -11.252 -22.470 1003 HB THR 18 HB THR 18 4.703 -12.843 -20.734 1004 HG1 THR 18 HG1 THR 18 7.274 -11.695 -20.989 1005 1HG2 THR 18 1HG2 THR 18 5.085 -13.441 -23.175 1006 2HG2 THR 18 2HG2 THR 18 5.892 -14.430 -21.958 1007 3HG2 THR 18 3HG2 THR 18 6.800 -13.201 -22.839 1008 H GLU 19 H GLU 19 2.779 -10.329 -21.024 1009 HA GLU 19 HA GLU 19 3.699 -8.059 -19.542 1010 1HB GLU 19 1HB GLU 19 1.006 -9.426 -19.642 1011 2HB GLU 19 2HB GLU 19 1.320 -7.920 -18.792 1012 1HG GLU 19 1HG GLU 19 2.229 -7.194 -21.165 1013 2HG GLU 19 2HG GLU 19 1.124 -8.457 -21.700 1014 H ALA 20 H ALA 20 3.952 -7.807 -17.362 1015 HA ALA 20 HA ALA 20 3.388 -10.068 -15.599 1016 1HB ALA 20 1HB ALA 20 6.070 -8.764 -15.403 1017 2HB ALA 20 2HB ALA 20 5.804 -10.089 -16.534 1018 3HB ALA 20 3HB ALA 20 5.547 -10.339 -14.808 1019 H VAL 21 H VAL 21 4.773 -6.816 -15.748 1020 HA VAL 21 HA VAL 21 4.026 -6.157 -13.060 1021 HB VAL 21 HB VAL 21 4.805 -4.192 -15.215 1022 1HG1 VAL 21 1HG1 VAL 21 5.480 -2.782 -13.446 1023 2HG1 VAL 21 2HG1 VAL 21 5.360 -4.084 -12.262 1024 3HG1 VAL 21 3HG1 VAL 21 3.898 -3.412 -12.984 1025 1HG2 VAL 21 1HG2 VAL 21 6.537 -5.792 -15.308 1026 2HG2 VAL 21 2HG2 VAL 21 6.551 -5.998 -13.557 1027 3HG2 VAL 21 3HG2 VAL 21 7.145 -4.500 -14.273 1028 H ASP 22 H ASP 22 1.728 -6.943 -13.743 1029 HA ASP 22 HA ASP 22 0.138 -4.723 -14.829 1030 1HB ASP 22 1HB ASP 22 -0.034 -7.114 -15.742 1031 2HB ASP 22 2HB ASP 22 -0.861 -7.503 -14.237 1032 H ALA 23 H ALA 23 -1.581 -3.876 -13.769 1033 HA ALA 23 HA ALA 23 -1.422 -3.430 -11.060 1034 1HB ALA 23 1HB ALA 23 -3.077 -2.011 -11.510 1035 2HB ALA 23 2HB ALA 23 -4.156 -3.314 -12.012 1036 3HB ALA 23 3HB ALA 23 -3.016 -2.619 -13.165 1037 H ALA 24 H ALA 24 -3.359 -5.856 -12.766 1038 HA ALA 24 HA ALA 24 -4.647 -6.899 -10.460 1039 1HB ALA 24 1HB ALA 24 -4.204 -8.540 -12.916 1040 2HB ALA 24 2HB ALA 24 -5.257 -7.126 -12.983 1041 3HB ALA 24 3HB ALA 24 -5.620 -8.444 -11.869 1042 H THR 25 H THR 25 -1.594 -7.538 -12.036 1043 HA THR 25 HA THR 25 -1.027 -10.061 -10.935 1044 HB THR 25 HB THR 25 0.778 -7.817 -11.859 1045 HG1 THR 25 HG1 THR 25 0.100 -10.296 -13.049 1046 1HG2 THR 25 1HG2 THR 25 2.301 -10.030 -12.146 1047 2HG2 THR 25 2HG2 THR 25 1.531 -10.341 -10.589 1048 3HG2 THR 25 3HG2 THR 25 2.460 -8.860 -10.835 1049 H PHE 26 H PHE 26 -0.578 -6.808 -9.716 1050 HA PHE 26 HA PHE 26 0.939 -7.542 -7.421 1051 1HB PHE 26 1HB PHE 26 0.702 -5.206 -8.477 1052 2HB PHE 26 2HB PHE 26 -0.802 -5.093 -7.566 1053 HD1 PHE 26 HD1 PHE 26 2.773 -6.018 -7.025 1054 HD2 PHE 26 HD2 PHE 26 -0.716 -4.129 -5.487 1055 HE1 PHE 26 HE1 PHE 26 4.036 -5.317 -5.034 1056 HE2 PHE 26 HE2 PHE 26 0.541 -3.422 -3.494 1057 HZ PHE 26 HZ PHE 26 2.919 -4.016 -3.266 1058 H GLU 27 H GLU 27 -2.496 -6.802 -7.914 1059 HA GLU 27 HA GLU 27 -3.391 -7.062 -5.313 1060 1HB GLU 27 1HB GLU 27 -4.798 -7.768 -7.888 1061 2HB GLU 27 2HB GLU 27 -5.598 -7.641 -6.326 1062 1HG GLU 27 1HG GLU 27 -4.782 -5.275 -6.209 1063 2HG GLU 27 2HG GLU 27 -4.247 -5.451 -7.880 1064 H LYS 28 H LYS 28 -3.345 -9.635 -7.791 1065 HA LYS 28 HA LYS 28 -4.272 -11.643 -6.042 1066 1HB LYS 28 1HB LYS 28 -4.344 -11.653 -8.571 1067 2HB LYS 28 2HB LYS 28 -2.644 -12.102 -8.534 1068 1HG LYS 28 1HG LYS 28 -3.361 -14.060 -7.071 1069 2HG LYS 28 2HG LYS 28 -5.010 -13.671 -7.570 1070 1HD LYS 28 1HD LYS 28 -4.184 -15.365 -9.039 1071 2HD LYS 28 2HD LYS 28 -4.244 -13.852 -9.945 1072 1HE LYS 28 1HE LYS 28 -1.992 -13.720 -10.137 1073 2HE LYS 28 2HE LYS 28 -1.709 -14.443 -8.553 1074 1HZ LYS 28 1HZ LYS 28 -1.767 -16.544 -9.398 1075 2HZ LYS 28 2HZ LYS 28 -1.147 -15.729 -10.744 1076 3HZ LYS 28 3HZ LYS 28 -2.787 -16.139 -10.687 1077 H VAL 29 H VAL 29 -0.954 -10.895 -7.162 1078 HA VAL 29 HA VAL 29 0.284 -13.032 -5.823 1079 HB VAL 29 HB VAL 29 1.461 -10.361 -6.608 1080 1HG1 VAL 29 1HG1 VAL 29 2.874 -12.952 -5.965 1081 2HG1 VAL 29 2HG1 VAL 29 2.830 -11.529 -4.921 1082 3HG1 VAL 29 3HG1 VAL 29 3.632 -11.449 -6.492 1083 1HG2 VAL 29 1HG2 VAL 29 1.788 -11.157 -8.697 1084 2HG2 VAL 29 2HG2 VAL 29 0.397 -12.163 -8.289 1085 3HG2 VAL 29 3HG2 VAL 29 2.029 -12.815 -8.146 1086 H VAL 30 H VAL 30 -0.355 -9.703 -4.789 1087 HA VAL 30 HA VAL 30 1.101 -9.934 -2.359 1088 HB VAL 30 HB VAL 30 -1.079 -7.962 -3.068 1089 1HG1 VAL 30 1HG1 VAL 30 -0.814 -7.950 -0.698 1090 2HG1 VAL 30 2HG1 VAL 30 0.053 -6.549 -1.327 1091 3HG1 VAL 30 3HG1 VAL 30 0.945 -7.989 -0.834 1092 1HG2 VAL 30 1HG2 VAL 30 1.766 -7.174 -3.039 1093 2HG2 VAL 30 2HG2 VAL 30 0.461 -6.678 -4.115 1094 3HG2 VAL 30 3HG2 VAL 30 1.263 -8.229 -4.359 1095 H LYS 31 H LYS 31 -2.389 -10.227 -3.098 1096 HA LYS 31 HA LYS 31 -3.198 -10.620 -0.434 1097 1HB LYS 31 1HB LYS 31 -4.640 -10.102 -2.479 1098 2HB LYS 31 2HB LYS 31 -4.542 -11.816 -2.854 1099 1HG LYS 31 1HG LYS 31 -5.604 -12.361 -0.740 1100 2HG LYS 31 2HG LYS 31 -5.657 -10.650 -0.311 1101 1HD LYS 31 1HD LYS 31 -7.331 -10.185 -1.813 1102 2HD LYS 31 2HD LYS 31 -6.882 -11.513 -2.885 1103 1HE LYS 31 1HE LYS 31 -7.641 -13.011 -0.894 1104 2HE LYS 31 2HE LYS 31 -8.506 -11.564 -0.376 1105 1HZ LYS 31 1HZ LYS 31 -9.775 -11.556 -2.341 1106 2HZ LYS 31 2HZ LYS 31 -9.783 -13.162 -1.812 1107 3HZ LYS 31 3HZ LYS 31 -8.785 -12.701 -3.097 1108 H GLN 32 H GLN 32 -2.302 -12.887 -3.001 1109 HA GLN 32 HA GLN 32 -2.806 -15.248 -1.550 1110 1HB GLN 32 1HB GLN 32 -2.451 -15.028 -4.049 1111 2HB GLN 32 2HB GLN 32 -0.729 -14.923 -3.713 1112 1HG GLN 32 1HG GLN 32 -0.864 -17.143 -4.098 1113 2HG GLN 32 2HG GLN 32 -1.244 -17.155 -2.377 1114 1HE2 GLN 32 1HE2 GLN 32 -2.615 -17.260 -5.604 1115 2HE2 GLN 32 2HE2 GLN 32 -4.092 -18.034 -5.156 1116 H PHE 33 H PHE 33 0.174 -13.325 -1.972 1117 HA PHE 33 HA PHE 33 1.815 -15.055 -0.470 1118 1HB PHE 33 1HB PHE 33 3.006 -13.736 -1.925 1119 2HB PHE 33 2HB PHE 33 2.019 -12.320 -1.625 1120 HD1 PHE 33 HD1 PHE 33 4.274 -14.481 0.466 1121 HD2 PHE 33 HD2 PHE 33 3.176 -10.582 -0.834 1122 HE1 PHE 33 HE1 PHE 33 6.049 -13.509 1.876 1123 HE2 PHE 33 HE2 PHE 33 4.936 -9.604 0.577 1124 HZ PHE 33 HZ PHE 33 6.371 -11.061 1.938 1125 H PHE 34 H PHE 34 0.124 -12.046 0.416 1126 HA PHE 34 HA PHE 34 1.101 -12.164 3.095 1127 1HB PHE 34 1HB PHE 34 -0.781 -10.367 1.641 1128 2HB PHE 34 2HB PHE 34 -0.748 -10.333 3.406 1129 HD1 PHE 34 HD1 PHE 34 1.157 -9.662 0.348 1130 HD2 PHE 34 HD2 PHE 34 1.193 -9.563 4.602 1131 HE1 PHE 34 HE1 PHE 34 3.211 -8.307 0.299 1132 HE2 PHE 34 HE2 PHE 34 3.242 -8.206 4.560 1133 HZ PHE 34 HZ PHE 34 4.263 -7.587 2.409 1134 H ASN 35 H ASN 35 -1.834 -13.297 1.541 1135 HA ASN 35 HA ASN 35 -3.417 -13.677 3.816 1136 1HB ASN 35 1HB ASN 35 -3.302 -15.020 1.144 1137 2HB ASN 35 2HB ASN 35 -4.321 -15.704 2.404 1138 1HD2 ASN 35 1HD2 ASN 35 -3.770 -12.244 2.106 1139 2HD2 ASN 35 2HD2 ASN 35 -5.370 -11.856 1.586 1140 H ASP 36 H ASP 36 -0.714 -15.491 2.611 1141 HA ASP 36 HA ASP 36 -1.037 -17.887 4.023 1142 1HB ASP 36 1HB ASP 36 1.402 -16.473 2.963 1143 2HB ASP 36 2HB ASP 36 1.493 -18.044 3.755 1144 H ASN 37 H ASN 37 -0.269 -14.779 5.198 1145 HA ASN 37 HA ASN 37 0.852 -15.927 7.672 1146 1HB ASN 37 1HB ASN 37 1.788 -13.735 8.171 1147 2HB ASN 37 2HB ASN 37 2.315 -14.289 6.586 1148 1HD2 ASN 37 1HD2 ASN 37 2.201 -12.878 5.019 1149 2HD2 ASN 37 2HD2 ASN 37 1.180 -11.488 4.968 1150 H GLY 38 H GLY 38 -1.900 -14.271 6.405 1151 1HA GLY 38 1HA GLY 38 -3.817 -14.609 8.037 1152 2HA GLY 38 2HA GLY 38 -2.811 -13.718 9.160 1153 H VAL 39 H VAL 39 -2.631 -12.569 5.928 1154 HA VAL 39 HA VAL 39 -4.115 -10.192 6.722 1155 HB VAL 39 HB VAL 39 -2.649 -10.658 4.123 1156 1HG1 VAL 39 1HG1 VAL 39 -3.291 -8.050 5.479 1157 2HG1 VAL 39 2HG1 VAL 39 -4.366 -8.803 4.301 1158 3HG1 VAL 39 3HG1 VAL 39 -2.738 -8.314 3.825 1159 1HG2 VAL 39 1HG2 VAL 39 -1.025 -9.017 5.513 1160 2HG2 VAL 39 2HG2 VAL 39 -0.836 -10.769 5.463 1161 3HG2 VAL 39 3HG2 VAL 39 -1.661 -10.011 6.824 1162 H ASP 40 H ASP 40 -5.943 -9.420 5.692 1163 HA ASP 40 HA ASP 40 -7.070 -10.870 3.452 1164 1HB ASP 40 1HB ASP 40 -8.239 -10.958 6.218 1165 2HB ASP 40 2HB ASP 40 -9.273 -11.106 4.801 1166 H GLY 41 H GLY 41 -9.494 -9.931 3.200 1167 1HA GLY 41 1HA GLY 41 -10.801 -7.868 3.553 1168 2HA GLY 41 2HA GLY 41 -9.275 -6.998 3.527 1169 H GLU 42 H GLU 42 -9.780 -5.650 1.832 1170 HA GLU 42 HA GLU 42 -9.633 -6.868 -0.801 1171 1HB GLU 42 1HB GLU 42 -11.992 -5.255 0.148 1172 2HB GLU 42 2HB GLU 42 -11.581 -5.377 -1.557 1173 1HG GLU 42 1HG GLU 42 -13.047 -7.088 -1.442 1174 2HG GLU 42 2HG GLU 42 -11.592 -7.966 -0.976 1175 H TRP 43 H TRP 43 -9.186 -5.320 -2.499 1176 HA TRP 43 HA TRP 43 -7.378 -3.284 -1.635 1177 1HB TRP 43 1HB TRP 43 -8.371 -4.167 -4.337 1178 2HB TRP 43 2HB TRP 43 -7.300 -2.782 -4.148 1179 HD1 TRP 43 HD1 TRP 43 -7.315 -6.559 -4.161 1180 HE1 TRP 43 HE1 TRP 43 -4.900 -7.421 -3.951 1181 HE3 TRP 43 HE3 TRP 43 -4.972 -2.152 -3.050 1182 HZ2 TRP 43 HZ2 TRP 43 -2.339 -6.373 -3.386 1183 HZ3 TRP 43 HZ3 TRP 43 -2.539 -2.168 -2.689 1184 HH2 TRP 43 HH2 TRP 43 -1.251 -4.236 -2.853 1185 H THR 44 H THR 44 -7.842 -1.320 -1.057 1186 HA THR 44 HA THR 44 -10.306 -0.082 -2.085 1187 HB THR 44 HB THR 44 -10.342 1.267 -0.039 1188 HG1 THR 44 HG1 THR 44 -8.554 1.450 1.009 1189 1HG2 THR 44 1HG2 THR 44 -11.258 -1.174 -0.144 1190 2HG2 THR 44 2HG2 THR 44 -11.197 -0.299 1.386 1191 3HG2 THR 44 3HG2 THR 44 -9.955 -1.490 1.001 1192 H TYR 45 H TYR 45 -10.224 1.909 -2.932 1193 HA TYR 45 HA TYR 45 -7.727 2.836 -3.957 1194 1HB TYR 45 1HB TYR 45 -10.555 3.830 -4.098 1195 2HB TYR 45 2HB TYR 45 -9.233 4.846 -4.662 1196 HD1 TYR 45 HD1 TYR 45 -11.358 2.028 -5.410 1197 HD2 TYR 45 HD2 TYR 45 -7.763 4.017 -6.516 1198 HE1 TYR 45 HE1 TYR 45 -11.376 0.851 -7.569 1199 HE2 TYR 45 HE2 TYR 45 -7.770 2.847 -8.677 1200 HH TYR 45 HH TYR 45 -9.236 0.233 -9.349 1201 H ASP 46 H ASP 46 -6.525 4.625 -3.412 1202 HA ASP 46 HA ASP 46 -6.639 5.457 -0.685 1203 1HB ASP 46 1HB ASP 46 -4.993 6.580 -2.966 1204 2HB ASP 46 2HB ASP 46 -4.722 6.881 -1.253 1205 H ASP 47 H ASP 47 -6.730 7.725 0.011 1206 HA ASP 47 HA ASP 47 -9.050 9.024 -0.952 1207 1HB ASP 47 1HB ASP 47 -8.016 9.135 1.400 1208 2HB ASP 47 2HB ASP 47 -6.932 10.353 0.734 1209 H ALA 48 H ALA 48 -9.326 10.591 -2.440 1210 HA ALA 48 HA ALA 48 -7.450 11.121 -4.398 1211 1HB ALA 48 1HB ALA 48 -10.027 11.542 -4.291 1212 2HB ALA 48 2HB ALA 48 -9.005 12.513 -5.350 1213 3HB ALA 48 3HB ALA 48 -9.536 13.163 -3.799 1214 H THR 49 H THR 49 -5.968 12.666 -4.798 1215 HA THR 49 HA THR 49 -5.547 14.757 -2.778 1216 HB THR 49 HB THR 49 -3.299 13.204 -4.063 1217 HG1 THR 49 HG1 THR 49 -3.286 11.892 -2.378 1218 1HG2 THR 49 1HG2 THR 49 -3.292 14.960 -1.623 1219 2HG2 THR 49 2HG2 THR 49 -2.716 15.442 -3.219 1220 3HG2 THR 49 3HG2 THR 49 -1.909 14.139 -2.346 1221 H LYS 50 H LYS 50 -4.354 16.622 -3.569 1222 HA LYS 50 HA LYS 50 -4.457 16.881 -6.504 1223 1HB LYS 50 1HB LYS 50 -5.550 18.644 -4.369 1224 2HB LYS 50 2HB LYS 50 -4.874 19.415 -5.797 1225 1HG LYS 50 1HG LYS 50 -6.434 18.348 -7.222 1226 2HG LYS 50 2HG LYS 50 -6.968 17.264 -5.935 1227 1HD LYS 50 1HD LYS 50 -7.459 19.650 -4.782 1228 2HD LYS 50 2HD LYS 50 -7.692 20.074 -6.479 1229 1HE LYS 50 1HE LYS 50 -9.353 18.367 -6.741 1230 2HE LYS 50 2HE LYS 50 -9.020 17.727 -5.132 1231 1HZ LYS 50 1HZ LYS 50 -9.971 19.608 -4.127 1232 2HZ LYS 50 2HZ LYS 50 -11.046 19.181 -5.361 1233 3HZ LYS 50 3HZ LYS 50 -9.994 20.489 -5.571 1234 H THR 51 H THR 51 -2.581 17.340 -7.393 1235 HA THR 51 HA THR 51 -0.484 18.583 -5.745 1236 HB THR 51 HB THR 51 -0.290 16.750 -8.147 1237 HG1 THR 51 HG1 THR 51 0.632 15.352 -6.669 1238 1HG2 THR 51 1HG2 THR 51 2.019 17.882 -6.588 1239 2HG2 THR 51 2HG2 THR 51 1.518 18.463 -8.176 1240 3HG2 THR 51 3HG2 THR 51 2.085 16.804 -7.981 1241 H PHE 52 H PHE 52 0.241 20.556 -6.295 1242 HA PHE 52 HA PHE 52 -0.937 21.890 -8.570 1243 1HB PHE 52 1HB PHE 52 -0.537 22.910 -6.245 1244 2HB PHE 52 2HB PHE 52 1.145 23.064 -6.741 1245 HD1 PHE 52 HD1 PHE 52 -2.209 23.754 -8.233 1246 HD2 PHE 52 HD2 PHE 52 1.743 25.141 -7.483 1247 HE1 PHE 52 HE1 PHE 52 -2.743 25.871 -9.366 1248 HE2 PHE 52 HE2 PHE 52 1.217 27.262 -8.614 1249 HZ PHE 52 HZ PHE 52 -1.028 27.629 -9.559 1250 H THR 53 H THR 53 -0.084 21.692 -10.533 1251 HA THR 53 HA THR 53 2.761 21.117 -10.828 1252 HB THR 53 HB THR 53 0.567 21.258 -12.909 1253 HG1 THR 53 HG1 THR 53 0.591 19.034 -12.787 1254 1HG2 THR 53 1HG2 THR 53 2.726 19.589 -13.678 1255 2HG2 THR 53 2HG2 THR 53 3.368 21.178 -13.263 1256 3HG2 THR 53 3HG2 THR 53 2.100 21.029 -14.480 1257 H VAL 54 H VAL 54 4.213 22.648 -11.270 1258 HA VAL 54 HA VAL 54 3.432 25.370 -11.561 1259 HB VAL 54 HB VAL 54 6.190 24.306 -12.129 1260 1HG1 VAL 54 1HG1 VAL 54 5.009 26.955 -11.442 1261 2HG1 VAL 54 2HG1 VAL 54 6.217 26.541 -12.659 1262 3HG1 VAL 54 3HG1 VAL 54 6.665 26.593 -10.955 1263 1HG2 VAL 54 1HG2 VAL 54 4.808 24.705 -9.498 1264 2HG2 VAL 54 2HG2 VAL 54 6.556 24.881 -9.643 1265 3HG2 VAL 54 3HG2 VAL 54 5.789 23.345 -10.044 1266 H THR 55 H THR 55 3.998 26.789 -13.327 1267 HA THR 55 HA THR 55 4.437 25.511 -15.910 1268 HB THR 55 HB THR 55 2.071 27.318 -15.389 1269 HG1 THR 55 HG1 THR 55 0.881 25.430 -15.868 1270 1HG2 THR 55 1HG2 THR 55 1.884 25.896 -17.835 1271 2HG2 THR 55 2HG2 THR 55 3.416 26.770 -17.810 1272 3HG2 THR 55 3HG2 THR 55 1.901 27.639 -17.564 1273 H GLU 56 H GLU 56 3.298 28.762 -15.053 1274 HA GLU 56 HA GLU 56 5.763 30.070 -15.135 1275 1HB GLU 56 1HB GLU 56 5.482 31.187 -17.409 1276 2HB GLU 56 2HB GLU 56 6.056 29.525 -17.410 1277 1HG GLU 56 1HG GLU 56 3.572 28.911 -17.717 1278 2HG GLU 56 2HG GLU 56 3.382 30.596 -18.197 1279 1H MET 1 1H MET 1 1.424 3.130 -12.168 1280 2H MET 1 2H MET 1 0.201 2.334 -13.071 1281 3H MET 1 3H MET 1 1.340 1.418 -12.173 1282 HA MET 1 HA MET 1 -0.646 3.276 -11.050 1283 1HB MET 1 1HB MET 1 -0.606 0.347 -11.614 1284 2HB MET 1 2HB MET 1 -1.397 0.893 -10.142 1285 1HG MET 1 1HG MET 1 -2.119 2.327 -12.613 1286 2HG MET 1 2HG MET 1 -2.641 0.647 -12.501 1287 1HE MET 1 1HE MET 1 -3.660 3.664 -9.168 1288 2HE MET 1 2HE MET 1 -2.609 4.088 -10.518 1289 3HE MET 1 3HE MET 1 -2.104 2.858 -9.359 1290 H GLN 2 H GLN 2 -0.237 3.874 -9.040 1291 HA GLN 2 HA GLN 2 2.097 2.782 -7.679 1292 1HB GLN 2 1HB GLN 2 1.527 5.284 -7.878 1293 2HB GLN 2 2HB GLN 2 0.321 4.978 -6.636 1294 1HG GLN 2 1HG GLN 2 2.011 4.289 -5.082 1295 2HG GLN 2 2HG GLN 2 3.254 4.383 -6.329 1296 1HE2 GLN 2 1HE2 GLN 2 1.433 6.088 -3.996 1297 2HE2 GLN 2 2HE2 GLN 2 2.133 7.646 -4.252 1298 H TYR 3 H TYR 3 1.953 1.226 -6.207 1299 HA TYR 3 HA TYR 3 -0.667 0.719 -4.976 1300 1HB TYR 3 1HB TYR 3 1.606 -1.083 -5.730 1301 2HB TYR 3 2HB TYR 3 0.467 -1.573 -4.478 1302 HD1 TYR 3 HD1 TYR 3 0.998 -1.122 -8.035 1303 HD2 TYR 3 HD2 TYR 3 -1.936 -1.863 -5.044 1304 HE1 TYR 3 HE1 TYR 3 -0.564 -1.901 -9.768 1305 HE2 TYR 3 HE2 TYR 3 -3.505 -2.646 -6.768 1306 HH TYR 3 HH TYR 3 -3.420 -3.574 -9.052 1307 H LYS 4 H LYS 4 -0.940 0.800 -2.884 1308 HA LYS 4 HA LYS 4 1.387 1.395 -1.180 1309 1HB LYS 4 1HB LYS 4 -1.444 2.294 -1.178 1310 2HB LYS 4 2HB LYS 4 -0.677 2.091 0.390 1311 1HG LYS 4 1HG LYS 4 1.214 3.538 -0.580 1312 2HG LYS 4 2HG LYS 4 0.038 3.973 -1.822 1313 1HD LYS 4 1HD LYS 4 -1.511 4.446 0.235 1314 2HD LYS 4 2HD LYS 4 0.020 4.569 1.103 1315 1HE LYS 4 1HE LYS 4 0.753 6.205 -0.676 1316 2HE LYS 4 2HE LYS 4 -0.917 6.208 -1.241 1317 1HZ LYS 4 1HZ LYS 4 -1.645 7.275 0.637 1318 2HZ LYS 4 2HZ LYS 4 -0.115 7.975 0.459 1319 3HZ LYS 4 3HZ LYS 4 -0.355 6.743 1.594 1320 H VAL 5 H VAL 5 1.969 0.052 0.393 1321 HA VAL 5 HA VAL 5 0.045 -1.880 1.459 1322 HB VAL 5 HB VAL 5 2.783 -2.761 0.543 1323 1HG1 VAL 5 1HG1 VAL 5 1.638 -3.952 2.456 1324 2HG1 VAL 5 2HG1 VAL 5 2.083 -4.956 1.077 1325 3HG1 VAL 5 3HG1 VAL 5 0.408 -4.449 1.293 1326 1HG2 VAL 5 1HG2 VAL 5 0.114 -2.952 -0.828 1327 2HG2 VAL 5 2HG2 VAL 5 1.444 -4.052 -1.195 1328 3HG2 VAL 5 3HG2 VAL 5 1.633 -2.319 -1.464 1329 H ILE 6 H ILE 6 0.151 -1.918 3.622 1330 HA ILE 6 HA ILE 6 2.486 -0.715 4.909 1331 HB ILE 6 HB ILE 6 -0.124 -1.448 6.225 1332 1HG1 ILE 6 1HG1 ILE 6 0.627 1.293 5.206 1333 2HG1 ILE 6 2HG1 ILE 6 -0.350 0.169 4.265 1334 1HG2 ILE 6 1HG2 ILE 6 2.057 0.484 6.998 1335 2HG2 ILE 6 2HG2 ILE 6 1.769 -1.097 7.724 1336 3HG2 ILE 6 3HG2 ILE 6 0.572 0.185 7.901 1337 1HD1 ILE 6 1HD1 ILE 6 -2.024 1.307 5.256 1338 2HD1 ILE 6 2HD1 ILE 6 -1.044 1.753 6.654 1339 3HD1 ILE 6 3HD1 ILE 6 -1.738 0.136 6.544 1340 H LEU 7 H LEU 7 4.011 -2.020 5.690 1341 HA LEU 7 HA LEU 7 3.221 -4.703 6.628 1342 1HB LEU 7 1HB LEU 7 5.558 -3.727 5.102 1343 2HB LEU 7 2HB LEU 7 5.918 -4.889 6.363 1344 HG LEU 7 HG LEU 7 3.841 -6.130 5.124 1345 1HD1 LEU 7 1HD1 LEU 7 4.266 -4.090 3.405 1346 2HD1 LEU 7 2HD1 LEU 7 3.626 -5.666 2.938 1347 3HD1 LEU 7 3HD1 LEU 7 5.342 -5.315 2.733 1348 1HD2 LEU 7 1HD2 LEU 7 6.788 -6.295 4.504 1349 2HD2 LEU 7 2HD2 LEU 7 5.600 -7.478 3.955 1350 3HD2 LEU 7 3HD2 LEU 7 5.882 -7.245 5.680 1351 H ASN 8 H ASN 8 3.333 -5.036 8.757 1352 HA ASN 8 HA ASN 8 5.433 -3.865 10.349 1353 1HB ASN 8 1HB ASN 8 3.852 -2.798 11.961 1354 2HB ASN 8 2HB ASN 8 3.891 -2.010 10.385 1355 1HD2 ASN 8 1HD2 ASN 8 1.909 -2.989 12.770 1356 2HD2 ASN 8 2HD2 ASN 8 0.444 -3.202 11.880 1357 H GLY 9 H GLY 9 6.106 -5.542 11.510 1358 1HA GLY 9 1HA GLY 9 4.735 -7.923 11.924 1359 2HA GLY 9 2HA GLY 9 6.100 -7.379 12.887 1360 H LYS 10 H LYS 10 2.684 -7.779 12.730 1361 HA LYS 10 HA LYS 10 1.038 -7.697 14.291 1362 1HB LYS 10 1HB LYS 10 3.022 -8.868 15.575 1363 2HB LYS 10 2HB LYS 10 3.018 -7.376 16.505 1364 1HG LYS 10 1HG LYS 10 1.039 -7.838 17.504 1365 2HG LYS 10 2HG LYS 10 0.405 -8.698 16.099 1366 1HD LYS 10 1HD LYS 10 2.103 -10.520 16.664 1367 2HD LYS 10 2HD LYS 10 2.290 -9.701 18.217 1368 1HE LYS 10 1HE LYS 10 -0.209 -9.887 18.485 1369 2HE LYS 10 2HE LYS 10 -0.205 -10.939 17.070 1370 1HZ LYS 10 1HZ LYS 10 -0.135 -12.101 19.262 1371 2HZ LYS 10 2HZ LYS 10 1.419 -11.473 19.492 1372 3HZ LYS 10 3HZ LYS 10 1.115 -12.524 18.203 1373 H THR 11 H THR 11 -0.230 -6.215 15.371 1374 HA THR 11 HA THR 11 0.671 -3.462 15.174 1375 HB THR 11 HB THR 11 -1.780 -3.057 15.920 1376 HG1 THR 11 HG1 THR 11 -3.118 -4.756 15.814 1377 1HG2 THR 11 1HG2 THR 11 -0.789 -4.004 13.323 1378 2HG2 THR 11 2HG2 THR 11 -1.686 -2.544 13.740 1379 3HG2 THR 11 3HG2 THR 11 -2.535 -4.078 13.554 1380 H LEU 12 H LEU 12 1.300 -2.243 16.830 1381 HA LEU 12 HA LEU 12 1.843 -1.579 18.934 1382 1HB LEU 12 1HB LEU 12 -0.575 -1.324 19.130 1383 2HB LEU 12 2HB LEU 12 -0.729 -3.004 19.606 1384 HG LEU 12 HG LEU 12 0.596 -2.512 21.648 1385 1HD1 LEU 12 1HD1 LEU 12 1.862 -0.611 20.887 1386 2HD1 LEU 12 2HD1 LEU 12 0.892 -0.142 22.284 1387 3HD1 LEU 12 3HD1 LEU 12 0.385 0.327 20.661 1388 1HD2 LEU 12 1HD2 LEU 12 -1.183 -1.393 22.832 1389 2HD2 LEU 12 2HD2 LEU 12 -1.876 -2.491 21.638 1390 3HD2 LEU 12 3HD2 LEU 12 -1.833 -0.756 21.322 1391 H LYS 13 H LYS 13 3.696 -2.632 19.431 1392 HA LYS 13 HA LYS 13 5.109 -4.067 20.484 1393 1HB LYS 13 1HB LYS 13 2.610 -4.950 21.942 1394 2HB LYS 13 2HB LYS 13 4.262 -5.313 22.426 1395 1HG LYS 13 1HG LYS 13 4.669 -3.172 23.143 1396 2HG LYS 13 2HG LYS 13 3.446 -2.469 22.085 1397 1HD LYS 13 1HD LYS 13 2.359 -2.301 24.087 1398 2HD LYS 13 2HD LYS 13 1.824 -3.910 23.598 1399 1HE LYS 13 1HE LYS 13 4.289 -3.508 25.263 1400 2HE LYS 13 2HE LYS 13 2.688 -3.600 25.995 1401 1HZ LYS 13 1HZ LYS 13 3.421 -5.773 26.060 1402 2HZ LYS 13 2HZ LYS 13 4.184 -5.688 24.553 1403 3HZ LYS 13 3HZ LYS 13 2.496 -5.764 24.643 1404 H GLY 14 H GLY 14 5.944 -6.142 20.267 1405 1HA GLY 14 1HA GLY 14 4.354 -8.363 19.435 1406 2HA GLY 14 2HA GLY 14 5.198 -7.637 18.077 1407 H GLU 15 H GLU 15 5.407 -9.782 20.685 1408 HA GLU 15 HA GLU 15 8.248 -10.236 20.093 1409 1HB GLU 15 1HB GLU 15 6.970 -9.949 22.804 1410 2HB GLU 15 2HB GLU 15 8.456 -10.862 22.587 1411 1HG GLU 15 1HG GLU 15 8.091 -7.978 21.809 1412 2HG GLU 15 2HG GLU 15 8.819 -8.533 23.317 1413 H THR 16 H THR 16 8.975 -12.426 20.710 1414 HA THR 16 HA THR 16 8.784 -14.665 20.305 1415 HB THR 16 HB THR 16 8.205 -14.438 22.694 1416 HG1 THR 16 HG1 THR 16 8.197 -16.512 22.446 1417 1HG2 THR 16 1HG2 THR 16 6.217 -13.292 22.899 1418 2HG2 THR 16 2HG2 THR 16 5.735 -14.959 23.213 1419 3HG2 THR 16 3HG2 THR 16 5.423 -14.234 21.637 1420 H THR 17 H THR 17 7.414 -13.118 18.363 1421 HA THR 17 HA THR 17 5.134 -14.868 17.711 1422 HB THR 17 HB THR 17 4.703 -12.807 16.073 1423 HG1 THR 17 HG1 THR 17 5.257 -10.877 17.193 1424 1HG2 THR 17 1HG2 THR 17 3.395 -13.707 18.205 1425 2HG2 THR 17 2HG2 THR 17 2.976 -12.198 17.393 1426 3HG2 THR 17 3HG2 THR 17 3.957 -12.168 18.859 1427 H THR 18 H THR 18 4.784 -15.182 15.341 1428 HA THR 18 HA THR 18 7.234 -16.071 14.137 1429 HB THR 18 HB THR 18 5.501 -16.539 12.189 1430 HG1 THR 18 HG1 THR 18 3.430 -16.620 12.864 1431 1HG2 THR 18 1HG2 THR 18 6.607 -18.172 13.867 1432 2HG2 THR 18 2HG2 THR 18 5.167 -18.670 12.978 1433 3HG2 THR 18 3HG2 THR 18 5.030 -18.143 14.656 1434 H GLU 19 H GLU 19 7.872 -15.534 11.933 1435 HA GLU 19 HA GLU 19 7.635 -12.660 11.471 1436 1HB GLU 19 1HB GLU 19 9.496 -14.745 10.325 1437 2HB GLU 19 2HB GLU 19 9.500 -13.058 9.834 1438 1HG GLU 19 1HG GLU 19 9.953 -12.449 12.211 1439 2HG GLU 19 2HG GLU 19 10.142 -14.168 12.552 1440 H ALA 20 H ALA 20 6.823 -11.758 9.627 1441 HA ALA 20 HA ALA 20 6.194 -13.234 7.285 1442 1HB ALA 20 1HB ALA 20 4.382 -14.196 8.398 1443 2HB ALA 20 2HB ALA 20 3.671 -12.846 7.513 1444 3HB ALA 20 3HB ALA 20 3.987 -12.699 9.243 1445 H VAL 21 H VAL 21 4.336 -10.657 8.832 1446 HA VAL 21 HA VAL 21 4.639 -8.971 6.523 1447 HB VAL 21 HB VAL 21 3.421 -8.128 9.149 1448 1HG1 VAL 21 1HG1 VAL 21 2.223 -6.544 7.866 1449 2HG1 VAL 21 2HG1 VAL 21 2.682 -7.318 6.348 1450 3HG1 VAL 21 3HG1 VAL 21 3.894 -6.465 7.305 1451 1HG2 VAL 21 1HG2 VAL 21 2.258 -10.121 8.711 1452 2HG2 VAL 21 2HG2 VAL 21 2.246 -9.835 6.972 1453 3HG2 VAL 21 3HG2 VAL 21 1.237 -8.852 8.033 1454 H ASP 22 H ASP 22 7.113 -9.209 7.074 1455 HA ASP 22 HA ASP 22 7.977 -7.025 8.843 1456 1HB ASP 22 1HB ASP 22 8.928 -9.393 9.045 1457 2HB ASP 22 2HB ASP 22 9.757 -9.070 7.526 1458 H ALA 23 H ALA 23 9.298 -5.415 8.156 1459 HA ALA 23 HA ALA 23 8.885 -4.281 5.686 1460 1HB ALA 23 1HB ALA 23 10.036 -2.612 6.605 1461 2HB ALA 23 2HB ALA 23 11.488 -3.603 6.757 1462 3HB ALA 23 3HB ALA 23 10.245 -3.660 8.009 1463 H ALA 24 H ALA 24 11.556 -6.369 6.708 1464 HA ALA 24 HA ALA 24 12.992 -6.250 4.262 1465 1HB ALA 24 1HB ALA 24 13.200 -8.584 6.113 1466 2HB ALA 24 2HB ALA 24 13.759 -6.995 6.639 1467 3HB ALA 24 3HB ALA 24 14.465 -7.750 5.209 1468 H THR 25 H THR 25 10.367 -8.234 5.442 1469 HA THR 25 HA THR 25 10.559 -10.376 3.633 1470 HB THR 25 HB THR 25 8.192 -9.168 5.078 1471 HG1 THR 25 HG1 THR 25 9.656 -11.548 5.539 1472 1HG2 THR 25 1HG2 THR 25 7.448 -11.730 4.645 1473 2HG2 THR 25 2HG2 THR 25 8.202 -11.323 3.102 1474 3HG2 THR 25 3HG2 THR 25 6.871 -10.341 3.721 1475 H PHE 26 H PHE 26 9.063 -7.217 3.387 1476 HA PHE 26 HA PHE 26 7.743 -7.691 0.909 1477 1HB PHE 26 1HB PHE 26 7.290 -5.807 2.605 1478 2HB PHE 26 2HB PHE 26 8.639 -4.973 1.836 1479 HD1 PHE 26 HD1 PHE 26 5.505 -6.761 0.890 1480 HD2 PHE 26 HD2 PHE 26 8.165 -3.532 0.116 1481 HE1 PHE 26 HE1 PHE 26 3.994 -5.945 -0.872 1482 HE2 PHE 26 HE2 PHE 26 6.658 -2.708 -1.646 1483 HZ PHE 26 HZ PHE 26 4.570 -3.915 -2.142 1484 H GLU 27 H GLU 27 10.799 -6.098 1.755 1485 HA GLU 27 HA GLU 27 11.604 -5.303 -0.767 1486 1HB GLU 27 1HB GLU 27 13.281 -6.248 1.558 1487 2HB GLU 27 2HB GLU 27 13.928 -5.435 0.139 1488 1HG GLU 27 1HG GLU 27 12.407 -3.512 0.670 1489 2HG GLU 27 2HG GLU 27 12.045 -4.318 2.196 1490 H LYS 28 H LYS 28 12.473 -8.363 0.860 1491 HA LYS 28 HA LYS 28 13.898 -9.391 -1.346 1492 1HB LYS 28 1HB LYS 28 14.082 -10.104 1.074 1493 2HB LYS 28 2HB LYS 28 12.607 -11.029 0.827 1494 1HG LYS 28 1HG LYS 28 13.834 -12.159 -1.098 1495 2HG LYS 28 2HG LYS 28 15.298 -11.437 -0.429 1496 1HD LYS 28 1HD LYS 28 15.110 -13.650 0.452 1497 2HD LYS 28 2HD LYS 28 14.738 -12.520 1.755 1498 1HE LYS 28 1HE LYS 28 12.569 -13.159 1.871 1499 2HE LYS 28 2HE LYS 28 12.450 -13.443 0.134 1500 1HZ LYS 28 1HZ LYS 28 13.196 -15.572 0.337 1501 2HZ LYS 28 2HZ LYS 28 12.419 -15.415 1.831 1502 3HZ LYS 28 3HZ LYS 28 14.101 -15.260 1.733 1503 H VAL 29 H VAL 29 10.566 -10.067 -0.217 1504 HA VAL 29 HA VAL 29 9.994 -12.000 -2.174 1505 HB VAL 29 HB VAL 29 8.084 -10.172 -0.710 1506 1HG1 VAL 29 1HG1 VAL 29 7.515 -12.775 -2.132 1507 2HG1 VAL 29 2HG1 VAL 29 7.070 -11.172 -2.723 1508 3HG1 VAL 29 3HG1 VAL 29 6.355 -11.795 -1.235 1509 1HG2 VAL 29 1HG2 VAL 29 8.118 -11.596 1.045 1510 2HG2 VAL 29 2HG2 VAL 29 9.733 -11.955 0.432 1511 3HG2 VAL 29 3HG2 VAL 29 8.381 -13.014 0.030 1512 H VAL 30 H VAL 30 9.514 -8.487 -2.171 1513 HA VAL 30 HA VAL 30 8.089 -8.447 -4.629 1514 HB VAL 30 HB VAL 30 9.580 -6.188 -3.281 1515 1HG1 VAL 30 1HG1 VAL 30 9.211 -5.580 -5.559 1516 2HG1 VAL 30 2HG1 VAL 30 7.987 -4.757 -4.592 1517 3HG1 VAL 30 3HG1 VAL 30 7.559 -6.196 -5.519 1518 1HG2 VAL 30 1HG2 VAL 30 6.632 -6.357 -3.217 1519 2HG2 VAL 30 2HG2 VAL 30 7.764 -5.800 -1.986 1520 3HG2 VAL 30 3HG2 VAL 30 7.505 -7.528 -2.229 1521 H LYS 31 H LYS 31 11.527 -7.832 -3.844 1522 HA LYS 31 HA LYS 31 12.293 -7.173 -6.468 1523 1HB LYS 31 1HB LYS 31 13.595 -6.850 -4.288 1524 2HB LYS 31 2HB LYS 31 14.060 -8.539 -4.442 1525 1HG LYS 31 1HG LYS 31 15.127 -8.072 -6.574 1526 2HG LYS 31 2HG LYS 31 14.624 -6.383 -6.469 1527 1HD LYS 31 1HD LYS 31 16.154 -5.886 -4.836 1528 2HD LYS 31 2HD LYS 31 16.177 -7.535 -4.206 1529 1HE LYS 31 1HE LYS 31 17.268 -8.105 -6.498 1530 2HE LYS 31 2HE LYS 31 17.622 -6.380 -6.557 1531 1HZ LYS 31 1HZ LYS 31 18.908 -6.531 -4.602 1532 2HZ LYS 31 2HZ LYS 31 19.399 -7.825 -5.573 1533 3HZ LYS 31 3HZ LYS 31 18.369 -8.097 -4.260 1534 H GLN 32 H GLN 32 12.266 -10.244 -4.707 1535 HA GLN 32 HA GLN 32 13.412 -11.808 -6.750 1536 1HB GLN 32 1HB GLN 32 13.125 -12.441 -4.314 1537 2HB GLN 32 2HB GLN 32 11.440 -12.778 -4.683 1538 1HG GLN 32 1HG GLN 32 12.270 -14.862 -4.946 1539 2HG GLN 32 2HG GLN 32 12.551 -14.261 -6.580 1540 1HE2 GLN 32 1HE2 GLN 32 14.044 -14.870 -3.466 1541 2HE2 GLN 32 2HE2 GLN 32 15.665 -14.984 -4.052 1542 H PHE 33 H PHE 33 10.003 -11.120 -5.932 1543 HA PHE 33 HA PHE 33 8.916 -12.764 -7.945 1544 1HB PHE 33 1HB PHE 33 7.442 -12.359 -6.229 1545 2HB PHE 33 2HB PHE 33 7.924 -10.683 -6.061 1546 HD1 PHE 33 HD1 PHE 33 6.357 -12.741 -8.790 1547 HD2 PHE 33 HD2 PHE 33 6.248 -9.241 -6.373 1548 HE1 PHE 33 HE1 PHE 33 4.304 -12.007 -9.941 1549 HE2 PHE 33 HE2 PHE 33 4.207 -8.498 -7.524 1550 HZ PHE 33 HZ PHE 33 3.234 -9.872 -9.311 1551 H PHE 34 H PHE 34 9.540 -9.257 -7.845 1552 HA PHE 34 HA PHE 34 8.524 -8.896 -10.487 1553 1HB PHE 34 1HB PHE 34 9.823 -7.103 -8.491 1554 2HB PHE 34 2HB PHE 34 9.696 -6.574 -10.171 1555 HD1 PHE 34 HD1 PHE 34 7.825 -7.443 -7.141 1556 HD2 PHE 34 HD2 PHE 34 7.559 -6.131 -11.180 1557 HE1 PHE 34 HE1 PHE 34 5.456 -6.869 -6.798 1558 HE2 PHE 34 HE2 PHE 34 5.193 -5.552 -10.843 1559 HZ PHE 34 HZ PHE 34 4.134 -5.933 -8.656 1560 H ASN 35 H ASN 35 11.736 -9.458 -9.191 1561 HA ASN 35 HA ASN 35 13.249 -8.655 -11.402 1562 1HB ASN 35 1HB ASN 35 13.684 -10.676 -9.239 1563 2HB ASN 35 2HB ASN 35 14.804 -10.616 -10.596 1564 1HD2 ASN 35 1HD2 ASN 35 13.222 -7.738 -9.342 1565 2HD2 ASN 35 2HD2 ASN 35 14.644 -7.040 -8.656 1566 H ASP 36 H ASP 36 11.302 -11.484 -10.901 1567 HA ASP 36 HA ASP 36 12.286 -13.144 -12.930 1568 1HB ASP 36 1HB ASP 36 9.581 -12.932 -11.624 1569 2HB ASP 36 2HB ASP 36 9.949 -14.154 -12.837 1570 H ASN 37 H ASN 37 10.531 -10.231 -13.187 1571 HA ASN 37 HA ASN 37 9.707 -10.903 -15.937 1572 1HB ASN 37 1HB ASN 37 8.116 -9.062 -15.825 1573 2HB ASN 37 2HB ASN 37 7.862 -10.185 -14.493 1574 1HD2 ASN 37 1HD2 ASN 37 7.611 -9.323 -12.582 1575 2HD2 ASN 37 2HD2 ASN 37 8.153 -7.761 -12.085 1576 H GLY 38 H GLY 38 11.872 -8.921 -14.122 1577 1HA GLY 38 1HA GLY 38 13.721 -8.163 -15.690 1578 2HA GLY 38 2HA GLY 38 12.437 -7.343 -16.555 1579 H VAL 39 H VAL 39 12.066 -7.290 -13.139 1580 HA VAL 39 HA VAL 39 12.696 -4.445 -13.144 1581 HB VAL 39 HB VAL 39 11.573 -6.073 -10.862 1582 1HG1 VAL 39 1HG1 VAL 39 11.298 -3.120 -11.369 1583 2HG1 VAL 39 2HG1 VAL 39 12.620 -3.804 -10.421 1584 3HG1 VAL 39 3HG1 VAL 39 10.952 -4.014 -9.888 1585 1HG2 VAL 39 1HG2 VAL 39 9.456 -4.688 -11.793 1586 2HG2 VAL 39 2HG2 VAL 39 9.821 -6.349 -12.258 1587 3HG2 VAL 39 3HG2 VAL 39 10.307 -5.015 -13.303 1588 H ASP 40 H ASP 40 14.244 -3.476 -11.853 1589 HA ASP 40 HA ASP 40 15.868 -5.085 -10.074 1590 1HB ASP 40 1HB ASP 40 16.889 -3.999 -12.685 1591 2HB ASP 40 2HB ASP 40 17.975 -4.238 -11.319 1592 H GLY 41 H GLY 41 17.887 -3.557 -9.438 1593 1HA GLY 41 1HA GLY 41 18.469 -1.179 -9.125 1594 2HA GLY 41 2HA GLY 41 16.752 -0.874 -8.922 1595 H GLU 42 H GLU 42 16.898 0.020 -6.892 1596 HA GLU 42 HA GLU 42 17.256 -1.885 -4.729 1597 1HB GLU 42 1HB GLU 42 18.949 0.583 -5.059 1598 2HB GLU 42 2HB GLU 42 18.681 -0.155 -3.485 1599 1HG GLU 42 1HG GLU 42 20.602 -1.207 -4.032 1600 2HG GLU 42 2HG GLU 42 19.468 -2.323 -4.792 1601 H TRP 43 H TRP 43 16.429 -1.110 -2.682 1602 HA TRP 43 HA TRP 43 14.041 0.423 -3.010 1603 1HB TRP 43 1HB TRP 43 15.383 -0.845 -0.631 1604 2HB TRP 43 2HB TRP 43 13.926 0.129 -0.464 1605 HD1 TRP 43 HD1 TRP 43 15.120 -3.289 -1.545 1606 HE1 TRP 43 HE1 TRP 43 13.088 -4.764 -2.107 1607 HE3 TRP 43 HE3 TRP 43 11.469 0.288 -1.436 1608 HZ2 TRP 43 HZ2 TRP 43 10.303 -4.451 -2.460 1609 HZ3 TRP 43 HZ3 TRP 43 9.147 -0.382 -1.897 1610 HH2 TRP 43 HH2 TRP 43 8.578 -2.703 -2.399 1611 H THR 44 H THR 44 13.845 2.514 -2.974 1612 HA THR 44 HA THR 44 15.848 4.103 -1.519 1613 HB THR 44 HB THR 44 15.373 5.924 -3.086 1614 HG1 THR 44 HG1 THR 44 13.569 5.845 -4.123 1615 1HG2 THR 44 1HG2 THR 44 16.997 3.963 -3.653 1616 2HG2 THR 44 2HG2 THR 44 16.591 5.176 -4.868 1617 3HG2 THR 44 3HG2 THR 44 15.797 3.601 -4.893 1618 H TYR 45 H TYR 45 15.192 5.640 -0.139 1619 HA TYR 45 HA TYR 45 12.583 5.408 0.991 1620 1HB TYR 45 1HB TYR 45 14.964 7.147 1.543 1621 2HB TYR 45 2HB TYR 45 13.420 7.492 2.316 1622 HD1 TYR 45 HD1 TYR 45 16.350 5.386 2.308 1623 HD2 TYR 45 HD2 TYR 45 12.379 5.750 3.789 1624 HE1 TYR 45 HE1 TYR 45 16.844 3.703 4.033 1625 HE2 TYR 45 HE2 TYR 45 12.862 4.070 5.517 1626 HH TYR 45 HH TYR 45 15.083 1.965 5.466 1627 H ASP 46 H ASP 46 10.860 6.813 0.931 1628 HA ASP 46 HA ASP 46 10.581 8.387 -1.433 1629 1HB ASP 46 1HB ASP 46 8.777 8.234 0.996 1630 2HB ASP 46 2HB ASP 46 8.345 8.918 -0.568 1631 H ASP 47 H ASP 47 9.932 10.666 -1.447 1632 HA ASP 47 HA ASP 47 11.771 12.291 -0.042 1633 1HB ASP 47 1HB ASP 47 10.654 12.749 -2.309 1634 2HB ASP 47 2HB ASP 47 9.268 13.313 -1.379 1635 H ALA 48 H ALA 48 11.613 13.366 1.841 1636 HA ALA 48 HA ALA 48 9.759 12.693 3.776 1637 1HB ALA 48 1HB ALA 48 12.072 13.907 3.914 1638 2HB ALA 48 2HB ALA 48 10.853 14.153 5.165 1639 3HB ALA 48 3HB ALA 48 11.076 15.362 3.900 1640 H THR 49 H THR 49 7.895 13.523 4.544 1641 HA THR 49 HA THR 49 6.749 15.870 3.196 1642 HB THR 49 HB THR 49 5.159 13.394 3.874 1643 HG1 THR 49 HG1 THR 49 5.469 12.690 1.878 1644 1HG2 THR 49 1HG2 THR 49 4.490 15.676 2.034 1645 2HG2 THR 49 2HG2 THR 49 3.879 15.495 3.680 1646 3HG2 THR 49 3HG2 THR 49 3.464 14.302 2.447 1647 H LYS 50 H LYS 50 5.073 16.961 4.433 1648 HA LYS 50 HA LYS 50 5.224 16.382 7.319 1649 1HB LYS 50 1HB LYS 50 5.615 18.938 5.841 1650 2HB LYS 50 2HB LYS 50 4.814 19.010 7.404 1651 1HG LYS 50 1HG LYS 50 6.701 18.102 8.514 1652 2HG LYS 50 2HG LYS 50 7.471 17.670 6.987 1653 1HD LYS 50 1HD LYS 50 7.149 20.316 6.613 1654 2HD LYS 50 2HD LYS 50 7.317 20.276 8.369 1655 1HE LYS 50 1HE LYS 50 9.436 19.177 8.208 1656 2HE LYS 50 2HE LYS 50 9.244 18.953 6.469 1657 1HZ LYS 50 1HZ LYS 50 9.530 21.231 6.080 1658 2HZ LYS 50 2HZ LYS 50 10.723 20.839 7.215 1659 3HZ LYS 50 3HZ LYS 50 9.316 21.639 7.709 1660 H THR 51 H THR 51 3.342 15.955 8.203 1661 HA THR 51 HA THR 51 0.887 16.906 6.889 1662 HB THR 51 HB THR 51 1.394 14.497 8.653 1663 HG1 THR 51 HG1 THR 51 0.883 13.366 6.796 1664 1HG2 THR 51 1HG2 THR 51 -1.229 15.243 7.382 1665 2HG2 THR 51 2HG2 THR 51 -0.855 15.477 9.090 1666 3HG2 THR 51 3HG2 THR 51 -0.884 13.851 8.409 1667 H PHE 52 H PHE 52 -0.386 18.309 7.948 1668 HA PHE 52 HA PHE 52 0.430 19.227 10.562 1669 1HB PHE 52 1HB PHE 52 -0.380 20.701 8.619 1670 2HB PHE 52 2HB PHE 52 -2.001 20.176 9.061 1671 HD1 PHE 52 HD1 PHE 52 1.045 21.402 10.844 1672 HD2 PHE 52 HD2 PHE 52 -3.173 21.657 10.348 1673 HE1 PHE 52 HE1 PHE 52 0.953 23.153 12.569 1674 HE2 PHE 52 HE2 PHE 52 -3.275 23.410 12.072 1675 HZ PHE 52 HZ PHE 52 -1.210 24.160 13.185 1676 H THR 53 H THR 53 -0.220 18.214 12.344 1677 HA THR 53 HA THR 53 -2.727 16.723 12.335 1678 HB THR 53 HB THR 53 -0.589 16.939 14.467 1679 HG1 THR 53 HG1 THR 53 0.082 14.956 13.709 1680 1HG2 THR 53 1HG2 THR 53 -2.080 14.531 14.619 1681 2HG2 THR 53 2HG2 THR 53 -3.204 15.890 14.653 1682 3HG2 THR 53 3HG2 THR 53 -1.895 15.799 15.831 1683 H VAL 54 H VAL 54 -4.560 17.529 13.134 1684 HA VAL 54 HA VAL 54 -4.648 20.154 14.235 1685 HB VAL 54 HB VAL 54 -6.913 18.175 14.342 1686 1HG1 VAL 54 1HG1 VAL 54 -6.641 21.141 14.487 1687 2HG1 VAL 54 2HG1 VAL 54 -7.594 20.047 15.490 1688 3HG1 VAL 54 3HG1 VAL 54 -8.128 20.434 13.854 1689 1HG2 VAL 54 1HG2 VAL 54 -5.852 19.724 12.002 1690 2HG2 VAL 54 2HG2 VAL 54 -7.556 19.284 12.110 1691 3HG2 VAL 54 3HG2 VAL 54 -6.320 18.027 12.088 1692 H THR 55 H THR 55 -5.538 20.754 16.306 1693 HA THR 55 HA THR 55 -5.443 18.715 18.387 1694 HB THR 55 HB THR 55 -3.780 21.233 18.525 1695 HG1 THR 55 HG1 THR 55 -2.041 19.760 18.487 1696 1HG2 THR 55 1HG2 THR 55 -3.066 19.275 20.458 1697 2HG2 THR 55 2HG2 THR 55 -4.783 19.645 20.619 1698 3HG2 THR 55 3HG2 THR 55 -3.589 20.941 20.703 1699 H GLU 56 H GLU 56 -5.407 22.257 18.556 1700 HA GLU 56 HA GLU 56 -8.148 22.658 18.895 1701 1HB GLU 56 1HB GLU 56 -8.121 23.107 21.405 1702 2HB GLU 56 2HB GLU 56 -8.153 21.421 20.902 1703 1HG GLU 56 1HG GLU 56 -5.588 21.545 21.136 1704 2HG GLU 56 2HG GLU 56 -5.907 22.995 22.086 Start of MODEL 17 1 1H MET 1 1H MET 1 11.412 20.306 -0.248 2 2H MET 1 2H MET 1 10.025 21.131 -0.831 3 3H MET 1 3H MET 1 10.342 19.521 -1.333 4 HA MET 1 HA MET 1 10.026 18.733 0.873 5 1HB MET 1 1HB MET 1 10.671 21.275 1.596 6 2HB MET 1 2HB MET 1 8.926 21.312 1.802 7 1HG MET 1 1HG MET 1 10.404 19.019 2.960 8 2HG MET 1 2HG MET 1 10.567 20.590 3.744 9 1HE MET 1 1HE MET 1 7.911 17.718 2.750 10 2HE MET 1 2HE MET 1 7.374 17.620 4.427 11 3HE MET 1 3HE MET 1 9.088 17.470 4.039 12 H GLN 2 H GLN 2 8.224 17.609 0.693 13 HA GLN 2 HA GLN 2 5.930 18.782 -0.687 14 1HB GLN 2 1HB GLN 2 5.039 16.504 -0.789 15 2HB GLN 2 2HB GLN 2 6.670 16.579 -1.440 16 1HG GLN 2 1HG GLN 2 7.473 15.770 0.808 17 2HG GLN 2 2HG GLN 2 5.782 15.459 1.199 18 1HE2 GLN 2 1HE2 GLN 2 8.541 14.100 0.047 19 2HE2 GLN 2 2HE2 GLN 2 7.869 12.761 -0.814 20 H TYR 3 H TYR 3 4.217 19.538 0.351 21 HA TYR 3 HA TYR 3 3.947 18.893 3.205 22 1HB TYR 3 1HB TYR 3 3.299 21.338 1.598 23 2HB TYR 3 2HB TYR 3 2.476 21.042 3.126 24 HD1 TYR 3 HD1 TYR 3 5.638 21.935 1.536 25 HD2 TYR 3 HD2 TYR 3 3.717 21.084 5.235 26 HE1 TYR 3 HE1 TYR 3 7.547 22.907 2.745 27 HE2 TYR 3 HE2 TYR 3 5.619 22.054 6.454 28 HH TYR 3 HH TYR 3 8.065 22.465 6.025 29 H LYS 4 H LYS 4 2.197 18.003 3.988 30 HA LYS 4 HA LYS 4 -0.027 17.407 2.151 31 1HB LYS 4 1HB LYS 4 1.434 15.632 3.542 32 2HB LYS 4 2HB LYS 4 0.199 15.979 4.745 33 1HG LYS 4 1HG LYS 4 -1.491 15.488 2.897 34 2HG LYS 4 2HG LYS 4 -0.132 14.791 2.013 35 1HD LYS 4 1HD LYS 4 -0.982 12.942 3.104 36 2HD LYS 4 2HD LYS 4 0.273 13.473 4.226 37 1HE LYS 4 1HE LYS 4 -1.413 14.650 5.551 38 2HE LYS 4 2HE LYS 4 -2.667 14.125 4.427 39 1HZ LYS 4 1HZ LYS 4 -2.207 12.811 6.615 40 2HZ LYS 4 2HZ LYS 4 -0.975 12.095 5.704 41 3HZ LYS 4 3HZ LYS 4 -2.581 11.986 5.186 42 H VAL 5 H VAL 5 -1.943 18.318 2.489 43 HA VAL 5 HA VAL 5 -2.679 19.183 5.195 44 HB VAL 5 HB VAL 5 -3.000 21.023 2.826 45 1HG1 VAL 5 1HG1 VAL 5 -3.590 22.684 4.474 46 2HG1 VAL 5 2HG1 VAL 5 -3.277 21.543 5.782 47 3HG1 VAL 5 3HG1 VAL 5 -4.622 21.268 4.675 48 1HG2 VAL 5 1HG2 VAL 5 -1.188 22.363 3.820 49 2HG2 VAL 5 2HG2 VAL 5 -0.632 20.777 3.287 50 3HG2 VAL 5 3HG2 VAL 5 -0.910 21.084 5.001 51 H ILE 6 H ILE 6 -4.729 18.732 5.691 52 HA ILE 6 HA ILE 6 -6.478 17.719 3.580 53 HB ILE 6 HB ILE 6 -6.974 17.642 6.552 54 1HG1 ILE 6 1HG1 ILE 6 -5.703 15.505 4.827 55 2HG1 ILE 6 2HG1 ILE 6 -4.833 16.519 5.973 56 1HG2 ILE 6 1HG2 ILE 6 -8.537 15.889 6.030 57 2HG2 ILE 6 2HG2 ILE 6 -8.071 15.928 4.330 58 3HG2 ILE 6 3HG2 ILE 6 -8.910 17.304 5.047 59 1HD1 ILE 6 1HD1 ILE 6 -6.754 15.503 7.571 60 2HD1 ILE 6 2HD1 ILE 6 -5.159 14.783 7.350 61 3HD1 ILE 6 3HD1 ILE 6 -6.535 14.176 6.431 62 H LEU 7 H LEU 7 -8.077 18.933 2.772 63 HA LEU 7 HA LEU 7 -9.308 20.979 4.475 64 1HB LEU 7 1HB LEU 7 -7.888 21.372 1.920 65 2HB LEU 7 2HB LEU 7 -9.457 22.148 2.017 66 HG LEU 7 HG LEU 7 -8.461 22.997 4.346 67 1HD1 LEU 7 1HD1 LEU 7 -6.212 23.091 4.520 68 2HD1 LEU 7 2HD1 LEU 7 -5.973 23.232 2.777 69 3HD1 LEU 7 3HD1 LEU 7 -6.299 21.656 3.497 70 1HD2 LEU 7 1HD2 LEU 7 -9.147 24.158 2.027 71 2HD2 LEU 7 2HD2 LEU 7 -7.416 24.495 2.021 72 3HD2 LEU 7 3HD2 LEU 7 -8.416 25.041 3.368 73 H ASN 8 H ASN 8 -11.384 20.399 4.671 74 HA ASN 8 HA ASN 8 -12.940 19.833 2.299 75 1HB ASN 8 1HB ASN 8 -11.927 17.633 3.253 76 2HB ASN 8 2HB ASN 8 -13.129 17.829 4.525 77 1HD2 ASN 8 1HD2 ASN 8 -14.925 16.761 4.189 78 2HD2 ASN 8 2HD2 ASN 8 -15.621 16.381 2.653 79 H GLY 9 H GLY 9 -13.167 19.498 5.830 80 1HA GLY 9 1HA GLY 9 -14.416 21.394 6.932 81 2HA GLY 9 2HA GLY 9 -15.650 21.093 5.718 82 H LYS 10 H LYS 10 -16.218 18.587 5.663 83 HA LYS 10 HA LYS 10 -17.293 16.878 6.707 84 1HB LYS 10 1HB LYS 10 -14.881 16.841 7.797 85 2HB LYS 10 2HB LYS 10 -15.770 17.318 9.236 86 1HG LYS 10 1HG LYS 10 -16.893 15.321 9.375 87 2HG LYS 10 2HG LYS 10 -16.717 14.978 7.653 88 1HD LYS 10 1HD LYS 10 -14.465 14.335 7.906 89 2HD LYS 10 2HD LYS 10 -14.359 15.049 9.515 90 1HE LYS 10 1HE LYS 10 -16.276 12.818 8.955 91 2HE LYS 10 2HE LYS 10 -14.578 12.480 9.286 92 1HZ LYS 10 1HZ LYS 10 -14.767 13.154 11.438 93 2HZ LYS 10 2HZ LYS 10 -16.341 12.582 11.202 94 3HZ LYS 10 3HZ LYS 10 -16.025 14.242 11.125 95 H THR 11 H THR 11 -18.918 16.402 8.293 96 HA THR 11 HA THR 11 -20.379 18.733 9.086 97 HB THR 11 HB THR 11 -21.629 16.846 8.304 98 HG1 THR 11 HG1 THR 11 -22.836 17.781 9.827 99 1HG2 THR 11 1HG2 THR 11 -20.037 15.313 10.285 100 2HG2 THR 11 2HG2 THR 11 -20.508 14.894 8.638 101 3HG2 THR 11 3HG2 THR 11 -21.689 14.801 9.944 102 H LEU 12 H LEU 12 -21.176 19.125 11.262 103 HA LEU 12 HA LEU 12 -19.091 19.183 13.167 104 1HB LEU 12 1HB LEU 12 -22.006 19.854 13.214 105 2HB LEU 12 2HB LEU 12 -21.108 19.807 14.719 106 HG LEU 12 HG LEU 12 -21.241 22.081 13.873 107 1HD1 LEU 12 1HD1 LEU 12 -19.198 21.260 15.071 108 2HD1 LEU 12 2HD1 LEU 12 -18.942 22.665 14.036 109 3HD1 LEU 12 3HD1 LEU 12 -18.432 21.066 13.494 110 1HD2 LEU 12 1HD2 LEU 12 -19.724 21.099 11.461 111 2HD2 LEU 12 2HD2 LEU 12 -20.278 22.743 11.776 112 3HD2 LEU 12 3HD2 LEU 12 -21.450 21.461 11.477 113 H LYS 13 H LYS 13 -18.405 17.628 14.467 114 HA LYS 13 HA LYS 13 -20.263 15.836 15.764 115 1HB LYS 13 1HB LYS 13 -19.656 14.830 13.481 116 2HB LYS 13 2HB LYS 13 -18.048 14.586 14.151 117 1HG LYS 13 1HG LYS 13 -18.973 12.561 14.612 118 2HG LYS 13 2HG LYS 13 -19.406 13.424 16.089 119 1HD LYS 13 1HD LYS 13 -21.449 12.560 15.571 120 2HD LYS 13 2HD LYS 13 -21.539 14.052 14.633 121 1HE LYS 13 1HE LYS 13 -22.201 12.494 13.073 122 2HE LYS 13 2HE LYS 13 -20.470 12.599 12.750 123 1HZ LYS 13 1HZ LYS 13 -20.079 10.557 13.693 124 2HZ LYS 13 2HZ LYS 13 -21.595 10.297 12.991 125 3HZ LYS 13 3HZ LYS 13 -21.473 10.592 14.652 126 H GLY 14 H GLY 14 -19.478 16.823 17.652 127 1HA GLY 14 1HA GLY 14 -18.180 16.736 19.560 128 2HA GLY 14 2HA GLY 14 -17.148 15.565 18.752 129 H GLU 15 H GLU 15 -17.990 18.976 18.140 130 HA GLU 15 HA GLU 15 -15.266 19.801 18.634 131 1HB GLU 15 1HB GLU 15 -15.107 20.872 16.334 132 2HB GLU 15 2HB GLU 15 -14.907 19.127 16.398 133 1HG GLU 15 1HG GLU 15 -17.501 19.162 15.926 134 2HG GLU 15 2HG GLU 15 -17.116 20.747 15.258 135 H THR 16 H THR 16 -15.019 22.067 18.790 136 HA THR 16 HA THR 16 -17.524 23.448 19.353 137 HB THR 16 HB THR 16 -14.789 24.606 19.809 138 HG1 THR 16 HG1 THR 16 -14.783 23.548 21.823 139 1HG2 THR 16 1HG2 THR 16 -17.167 25.703 20.298 140 2HG2 THR 16 2HG2 THR 16 -15.749 25.986 21.307 141 3HG2 THR 16 3HG2 THR 16 -16.957 24.800 21.798 142 H THR 17 H THR 17 -18.124 25.398 18.420 143 HA THR 17 HA THR 17 -18.432 26.862 16.709 144 HB THR 17 HB THR 17 -16.556 28.150 16.026 145 HG1 THR 17 HG1 THR 17 -15.073 26.745 15.318 146 1HG2 THR 17 1HG2 THR 17 -15.461 28.740 18.018 147 2HG2 THR 17 2HG2 THR 17 -15.688 27.135 18.711 148 3HG2 THR 17 3HG2 THR 17 -17.072 28.205 18.491 149 H THR 18 H THR 18 -17.309 27.336 14.305 150 HA THR 18 HA THR 18 -17.505 24.731 12.942 151 HB THR 18 HB THR 18 -19.420 26.159 12.464 152 HG1 THR 18 HG1 THR 18 -19.230 26.153 10.216 153 1HG2 THR 18 1HG2 THR 18 -17.347 28.206 11.936 154 2HG2 THR 18 2HG2 THR 18 -18.946 28.366 12.663 155 3HG2 THR 18 3HG2 THR 18 -18.783 28.200 10.914 156 H GLU 19 H GLU 19 -16.578 24.958 10.596 157 HA GLU 19 HA GLU 19 -13.984 26.346 10.738 158 1HB GLU 19 1HB GLU 19 -12.941 24.451 9.600 159 2HB GLU 19 2HB GLU 19 -13.667 23.943 11.119 160 1HG GLU 19 1HG GLU 19 -15.715 23.424 9.503 161 2HG GLU 19 2HG GLU 19 -14.402 23.264 8.337 162 H ALA 20 H ALA 20 -12.990 25.945 8.286 163 HA ALA 20 HA ALA 20 -14.980 26.372 6.244 164 1HB ALA 20 1HB ALA 20 -15.053 28.590 6.917 165 2HB ALA 20 2HB ALA 20 -13.855 28.617 5.624 166 3HB ALA 20 3HB ALA 20 -13.333 28.633 7.308 167 H VAL 21 H VAL 21 -13.251 24.335 6.284 168 HA VAL 21 HA VAL 21 -10.955 25.089 4.627 169 HB VAL 21 HB VAL 21 -10.341 22.628 4.908 170 1HG1 VAL 21 1HG1 VAL 21 -9.664 24.798 6.320 171 2HG1 VAL 21 2HG1 VAL 21 -9.035 23.188 6.669 172 3HG1 VAL 21 3HG1 VAL 21 -10.383 23.831 7.607 173 1HG2 VAL 21 1HG2 VAL 21 -11.397 21.305 6.498 174 2HG2 VAL 21 2HG2 VAL 21 -12.749 22.114 5.705 175 3HG2 VAL 21 3HG2 VAL 21 -12.177 22.684 7.273 176 H ASP 22 H ASP 22 -12.164 25.539 2.731 177 HA ASP 22 HA ASP 22 -13.493 23.258 1.449 178 1HB ASP 22 1HB ASP 22 -14.695 25.437 1.592 179 2HB ASP 22 2HB ASP 22 -13.431 26.162 0.602 180 H ALA 23 H ALA 23 -12.892 22.446 -0.472 181 HA ALA 23 HA ALA 23 -10.258 22.224 -1.160 182 1HB ALA 23 1HB ALA 23 -12.630 21.206 -2.056 183 2HB ALA 23 2HB ALA 23 -11.039 20.832 -2.724 184 3HB ALA 23 3HB ALA 23 -12.036 22.083 -3.468 185 H ALA 24 H ALA 24 -12.617 24.518 -2.493 186 HA ALA 24 HA ALA 24 -10.860 25.699 -4.373 187 1HB ALA 24 1HB ALA 24 -13.466 26.561 -3.162 188 2HB ALA 24 2HB ALA 24 -13.136 26.005 -4.802 189 3HB ALA 24 3HB ALA 24 -12.578 27.594 -4.281 190 H THR 25 H THR 25 -11.428 26.225 -0.977 191 HA THR 25 HA THR 25 -10.376 28.817 -0.721 192 HB THR 25 HB THR 25 -10.402 26.520 1.249 193 HG1 THR 25 HG1 THR 25 -12.140 28.741 0.974 194 1HG2 THR 25 1HG2 THR 25 -10.555 28.717 2.788 195 2HG2 THR 25 2HG2 THR 25 -9.439 29.274 1.540 196 3HG2 THR 25 3HG2 THR 25 -9.064 27.824 2.477 197 H PHE 26 H PHE 26 -8.859 25.646 -0.682 198 HA PHE 26 HA PHE 26 -6.251 26.535 -0.002 199 1HB PHE 26 1HB PHE 26 -7.206 24.139 0.075 200 2HB PHE 26 2HB PHE 26 -6.810 24.073 -1.639 201 HD1 PHE 26 HD1 PHE 26 -5.300 24.787 1.682 202 HD2 PHE 26 HD2 PHE 26 -4.683 23.452 -2.311 203 HE1 PHE 26 HE1 PHE 26 -2.982 24.181 2.246 204 HE2 PHE 26 HE2 PHE 26 -2.366 22.842 -1.755 205 HZ PHE 26 HZ PHE 26 -1.512 23.206 0.526 206 H GLU 27 H GLU 27 -7.773 25.713 -3.099 207 HA GLU 27 HA GLU 27 -5.609 26.150 -4.774 208 1HB GLU 27 1HB GLU 27 -8.548 26.582 -5.307 209 2HB GLU 27 2HB GLU 27 -7.309 26.540 -6.553 210 1HG GLU 27 1HG GLU 27 -6.743 24.230 -5.813 211 2HG GLU 27 2HG GLU 27 -8.133 24.295 -4.729 212 H LYS 28 H LYS 28 -8.189 28.489 -3.969 213 HA LYS 28 HA LYS 28 -7.050 30.612 -5.420 214 1HB LYS 28 1HB LYS 28 -9.426 30.479 -4.716 215 2HB LYS 28 2HB LYS 28 -8.925 30.786 -3.059 216 1HG LYS 28 1HG LYS 28 -8.261 32.983 -3.551 217 2HG LYS 28 2HG LYS 28 -8.288 32.687 -5.291 218 1HD LYS 28 1HD LYS 28 -10.813 32.324 -3.758 219 2HD LYS 28 2HD LYS 28 -10.254 33.969 -4.070 220 1HE LYS 28 1HE LYS 28 -10.473 33.750 -6.360 221 2HE LYS 28 2HE LYS 28 -10.359 31.991 -6.306 222 1HZ LYS 28 1HZ LYS 28 -12.675 33.715 -5.743 223 2HZ LYS 28 2HZ LYS 28 -12.579 32.186 -5.027 224 3HZ LYS 28 3HZ LYS 28 -12.582 32.331 -6.711 225 H VAL 29 H VAL 29 -6.950 29.935 -1.905 226 HA VAL 29 HA VAL 29 -5.444 32.200 -1.220 227 HB VAL 29 HB VAL 29 -5.559 29.533 0.192 228 1HG1 VAL 29 1HG1 VAL 29 -4.854 30.740 2.176 229 2HG1 VAL 29 2HG1 VAL 29 -4.769 32.244 1.258 230 3HG1 VAL 29 3HG1 VAL 29 -3.652 30.926 0.897 231 1HG2 VAL 29 1HG2 VAL 29 -7.074 31.852 1.200 232 2HG2 VAL 29 2HG2 VAL 29 -7.515 30.146 1.136 233 3HG2 VAL 29 3HG2 VAL 29 -7.661 31.148 -0.306 234 H VAL 30 H VAL 30 -4.423 28.925 -2.107 235 HA VAL 30 HA VAL 30 -1.672 29.396 -1.547 236 HB VAL 30 HB VAL 30 -2.920 27.241 -3.258 237 1HG1 VAL 30 1HG1 VAL 30 -0.138 27.499 -2.117 238 2HG1 VAL 30 2HG1 VAL 30 -0.587 27.472 -3.822 239 3HG1 VAL 30 3HG1 VAL 30 -0.794 26.027 -2.833 240 1HG2 VAL 30 1HG2 VAL 30 -3.089 25.922 -1.379 241 2HG2 VAL 30 2HG2 VAL 30 -3.461 27.512 -0.712 242 3HG2 VAL 30 3HG2 VAL 30 -1.851 26.824 -0.504 243 H LYS 31 H LYS 31 -3.529 29.399 -4.624 244 HA LYS 31 HA LYS 31 -1.301 29.875 -6.265 245 1HB LYS 31 1HB LYS 31 -3.669 29.170 -6.941 246 2HB LYS 31 2HB LYS 31 -4.090 30.873 -6.823 247 1HG LYS 31 1HG LYS 31 -2.575 31.448 -8.568 248 2HG LYS 31 2HG LYS 31 -1.884 29.824 -8.579 249 1HD LYS 31 1HD LYS 31 -3.843 28.889 -9.504 250 2HD LYS 31 2HD LYS 31 -4.792 30.336 -9.156 251 1HE LYS 31 1HE LYS 31 -3.967 31.478 -10.952 252 2HE LYS 31 2HE LYS 31 -2.425 30.623 -10.926 253 1HZ LYS 31 1HZ LYS 31 -3.353 28.783 -12.004 254 2HZ LYS 31 2HZ LYS 31 -3.989 30.115 -12.831 255 3HZ LYS 31 3HZ LYS 31 -4.943 29.283 -11.709 256 H GLN 32 H GLN 32 -3.598 32.085 -4.711 257 HA GLN 32 HA GLN 32 -2.532 34.459 -5.784 258 1HB GLN 32 1HB GLN 32 -4.766 34.261 -4.695 259 2HB GLN 32 2HB GLN 32 -3.958 34.119 -3.140 260 1HG GLN 32 1HG GLN 32 -4.774 36.376 -3.508 261 2HG GLN 32 2HG GLN 32 -3.015 36.344 -3.408 262 1HE2 GLN 32 1HE2 GLN 32 -2.420 38.015 -4.631 263 2HE2 GLN 32 2HE2 GLN 32 -2.856 38.242 -6.288 264 H PHE 33 H PHE 33 -1.871 32.759 -2.704 265 HA PHE 33 HA PHE 33 -0.014 34.669 -1.774 266 1HB PHE 33 1HB PHE 33 -0.931 33.411 -0.084 267 2HB PHE 33 2HB PHE 33 -0.860 31.917 -1.003 268 HD1 PHE 33 HD1 PHE 33 1.651 34.403 0.274 269 HD2 PHE 33 HD2 PHE 33 0.432 30.340 -0.069 270 HE1 PHE 33 HE1 PHE 33 3.637 33.698 1.554 271 HE2 PHE 33 HE2 PHE 33 2.415 29.629 1.198 272 HZ PHE 33 HZ PHE 33 4.023 31.302 2.008 273 H PHE 34 H PHE 34 0.427 31.555 -3.449 274 HA PHE 34 HA PHE 34 3.270 31.813 -3.408 275 1HB PHE 34 1HB PHE 34 1.372 29.853 -4.614 276 2HB PHE 34 2HB PHE 34 3.061 29.860 -5.130 277 HD1 PHE 34 HD1 PHE 34 0.824 29.465 -2.219 278 HD2 PHE 34 HD2 PHE 34 4.783 29.060 -3.726 279 HE1 PHE 34 HE1 PHE 34 1.471 28.248 -0.182 280 HE2 PHE 34 HE2 PHE 34 5.436 27.837 -1.695 281 HZ PHE 34 HZ PHE 34 3.783 27.440 0.086 282 H ASN 35 H ASN 35 0.790 32.663 -5.760 283 HA ASN 35 HA ASN 35 2.425 32.993 -8.004 284 1HB ASN 35 1HB ASN 35 -0.131 34.295 -7.129 285 2HB ASN 35 2HB ASN 35 0.713 34.908 -8.547 286 1HD2 ASN 35 1HD2 ASN 35 0.775 31.518 -7.679 287 2HD2 ASN 35 2HD2 ASN 35 -0.216 30.975 -8.982 288 H ASP 36 H ASP 36 2.033 34.970 -5.173 289 HA ASP 36 HA ASP 36 3.170 37.365 -6.087 290 1HB ASP 36 1HB ASP 36 2.893 36.124 -3.364 291 2HB ASP 36 2HB ASP 36 3.731 37.658 -3.582 292 H ASN 37 H ASN 37 4.634 34.347 -5.460 293 HA ASN 37 HA ASN 37 7.286 35.603 -5.244 294 1HB ASN 37 1HB ASN 37 8.127 33.509 -4.376 295 2HB ASN 37 2HB ASN 37 6.708 33.999 -3.457 296 1HD2 ASN 37 1HD2 ASN 37 5.432 32.393 -2.978 297 2HD2 ASN 37 2HD2 ASN 37 5.146 30.984 -3.938 298 H GLY 38 H GLY 38 5.299 33.778 -7.396 299 1HA GLY 38 1HA GLY 38 6.237 34.060 -9.737 300 2HA GLY 38 2HA GLY 38 7.664 33.270 -9.094 301 H VAL 39 H VAL 39 4.699 32.038 -7.874 302 HA VAL 39 HA VAL 39 5.125 29.593 -9.401 303 HB VAL 39 HB VAL 39 3.100 30.090 -7.214 304 1HG1 VAL 39 1HG1 VAL 39 3.337 27.550 -7.027 305 2HG1 VAL 39 2HG1 VAL 39 4.089 27.627 -8.620 306 3HG1 VAL 39 3HG1 VAL 39 2.430 28.182 -8.401 307 1HG2 VAL 39 1HG2 VAL 39 5.991 29.559 -7.117 308 2HG2 VAL 39 2HG2 VAL 39 5.002 28.530 -6.080 309 3HG2 VAL 39 3HG2 VAL 39 4.927 30.285 -5.913 310 H ASP 40 H ASP 40 3.644 28.676 -10.794 311 HA ASP 40 HA ASP 40 1.068 29.916 -11.231 312 1HB ASP 40 1HB ASP 40 3.321 30.155 -13.208 313 2HB ASP 40 2HB ASP 40 1.645 30.140 -13.750 314 H GLY 41 H GLY 41 0.120 28.839 -13.389 315 1HA GLY 41 1HA GLY 41 0.246 26.742 -14.699 316 2HA GLY 41 2HA GLY 41 0.747 25.955 -13.210 317 H GLU 42 H GLU 42 -0.918 24.486 -13.096 318 HA GLU 42 HA GLU 42 -3.469 25.578 -12.224 319 1HB GLU 42 1HB GLU 42 -3.125 23.848 -14.657 320 2HB GLU 42 2HB GLU 42 -4.625 23.829 -13.740 321 1HG GLU 42 1HG GLU 42 -4.516 26.414 -14.041 322 2HG GLU 42 2HG GLU 42 -3.433 26.016 -15.375 323 H TRP 43 H TRP 43 -4.806 24.024 -11.126 324 HA TRP 43 HA TRP 43 -3.272 22.184 -9.568 325 1HB TRP 43 1HB TRP 43 -6.207 22.864 -9.668 326 2HB TRP 43 2HB TRP 43 -5.570 21.612 -8.606 327 HD1 TRP 43 HD1 TRP 43 -5.932 25.348 -8.911 328 HE1 TRP 43 HE1 TRP 43 -4.968 26.479 -6.810 329 HE3 TRP 43 HE3 TRP 43 -3.634 21.302 -6.791 330 HZ2 TRP 43 HZ2 TRP 43 -3.437 25.753 -4.552 331 HZ3 TRP 43 HZ3 TRP 43 -2.442 21.606 -4.659 332 HH2 TRP 43 HH2 TRP 43 -2.345 23.787 -3.566 333 H THR 44 H THR 44 -2.743 20.211 -10.102 334 HA THR 44 HA THR 44 -4.447 18.764 -12.014 335 HB THR 44 HB THR 44 -2.449 17.458 -12.593 336 HG1 THR 44 HG1 THR 44 -1.192 17.494 -10.821 337 1HG2 THR 44 1HG2 THR 44 -1.890 20.409 -12.727 338 2HG2 THR 44 2HG2 THR 44 -2.855 19.488 -13.881 339 3HG2 THR 44 3HG2 THR 44 -1.132 19.156 -13.707 340 H TYR 45 H TYR 45 -5.142 16.765 -11.557 341 HA TYR 45 HA TYR 45 -5.264 15.974 -8.813 342 1HB TYR 45 1HB TYR 45 -6.289 14.808 -11.382 343 2HB TYR 45 2HB TYR 45 -6.342 13.860 -9.899 344 HD1 TYR 45 HD1 TYR 45 -7.849 16.558 -11.778 345 HD2 TYR 45 HD2 TYR 45 -7.671 14.693 -7.959 346 HE1 TYR 45 HE1 TYR 45 -9.949 17.672 -11.142 347 HE2 TYR 45 HE2 TYR 45 -9.769 15.799 -7.312 348 HH TYR 45 HH TYR 45 -11.901 16.846 -9.027 349 H ASP 46 H ASP 46 -4.241 14.303 -7.769 350 HA ASP 46 HA ASP 46 -1.686 13.537 -8.769 351 1HB ASP 46 1HB ASP 46 -3.212 12.444 -6.392 352 2HB ASP 46 2HB ASP 46 -1.492 12.230 -6.704 353 H ASP 47 H ASP 47 -0.952 11.286 -8.993 354 HA ASP 47 HA ASP 47 -2.600 9.825 -10.770 355 1HB ASP 47 1HB ASP 47 0.026 9.261 -9.421 356 2HB ASP 47 2HB ASP 47 -0.779 8.016 -10.370 357 H ALA 48 H ALA 48 -3.901 8.085 -10.470 358 HA ALA 48 HA ALA 48 -5.137 7.645 -8.036 359 1HB ALA 48 1HB ALA 48 -5.831 6.982 -10.444 360 2HB ALA 48 2HB ALA 48 -6.370 5.999 -9.082 361 3HB ALA 48 3HB ALA 48 -5.012 5.465 -10.072 362 H THR 49 H THR 49 -4.902 6.274 -6.369 363 HA THR 49 HA THR 49 -2.631 4.400 -6.417 364 HB THR 49 HB THR 49 -3.500 6.098 -4.068 365 HG1 THR 49 HG1 THR 49 -2.250 7.527 -4.920 366 1HG2 THR 49 1HG2 THR 49 -1.180 4.210 -4.379 367 2HG2 THR 49 2HG2 THR 49 -2.546 4.048 -3.275 368 3HG2 THR 49 3HG2 THR 49 -1.380 5.353 -3.051 369 H LYS 50 H LYS 50 -2.844 2.568 -4.961 370 HA LYS 50 HA LYS 50 -5.646 1.991 -4.249 371 1HB LYS 50 1HB LYS 50 -4.471 0.778 -6.303 372 2HB LYS 50 2HB LYS 50 -3.832 -0.242 -5.020 373 1HG LYS 50 1HG LYS 50 -5.886 -1.105 -4.491 374 2HG LYS 50 2HG LYS 50 -6.755 0.309 -5.089 375 1HD LYS 50 1HD LYS 50 -5.285 -1.629 -6.869 376 2HD LYS 50 2HD LYS 50 -7.003 -1.759 -6.489 377 1HE LYS 50 1HE LYS 50 -7.196 0.639 -7.339 378 2HE LYS 50 2HE LYS 50 -5.581 0.410 -8.005 379 1HZ LYS 50 1HZ LYS 50 -7.537 -0.063 -9.522 380 2HZ LYS 50 2HZ LYS 50 -7.790 -1.462 -8.606 381 3HZ LYS 50 3HZ LYS 50 -6.335 -1.251 -9.442 382 H THR 51 H THR 51 -5.852 1.802 -2.137 383 HA THR 51 HA THR 51 -3.588 0.787 -0.559 384 HB THR 51 HB THR 51 -5.930 2.540 0.217 385 HG1 THR 51 HG1 THR 51 -4.337 4.068 0.530 386 1HG2 THR 51 1HG2 THR 51 -5.101 2.674 2.428 387 2HG2 THR 51 2HG2 THR 51 -3.677 1.713 2.025 388 3HG2 THR 51 3HG2 THR 51 -5.272 0.959 2.051 389 H PHE 52 H PHE 52 -3.758 -1.134 0.427 390 HA PHE 52 HA PHE 52 -6.174 -2.675 0.103 391 1HB PHE 52 1HB PHE 52 -3.938 -3.685 -0.222 392 2HB PHE 52 2HB PHE 52 -3.589 -3.421 1.484 393 HD1 PHE 52 HD1 PHE 52 -5.607 -5.344 -0.908 394 HD2 PHE 52 HD2 PHE 52 -4.501 -4.840 3.171 395 HE1 PHE 52 HE1 PHE 52 -6.615 -7.523 -0.369 396 HE2 PHE 52 HE2 PHE 52 -5.506 -7.018 3.717 397 HZ PHE 52 HZ PHE 52 -6.565 -8.363 1.945 398 H THR 53 H THR 53 -7.812 -2.556 1.489 399 HA THR 53 HA THR 53 -7.328 -1.690 4.232 400 HB THR 53 HB THR 53 -9.931 -2.234 2.786 401 HG1 THR 53 HG1 THR 53 -8.735 -0.428 1.990 402 1HG2 THR 53 1HG2 THR 53 -10.726 -2.273 4.890 403 2HG2 THR 53 2HG2 THR 53 -10.603 -0.522 4.723 404 3HG2 THR 53 3HG2 THR 53 -9.332 -1.420 5.552 405 H VAL 54 H VAL 54 -7.152 -3.083 5.867 406 HA VAL 54 HA VAL 54 -7.383 -5.890 5.444 407 HB VAL 54 HB VAL 54 -7.214 -4.578 8.148 408 1HG1 VAL 54 1HG1 VAL 54 -5.707 -6.675 8.441 409 2HG1 VAL 54 2HG1 VAL 54 -6.557 -7.262 7.011 410 3HG1 VAL 54 3HG1 VAL 54 -7.462 -6.852 8.469 411 1HG2 VAL 54 1HG2 VAL 54 -4.679 -4.892 7.762 412 2HG2 VAL 54 2HG2 VAL 54 -5.473 -3.481 7.064 413 3HG2 VAL 54 3HG2 VAL 54 -5.096 -4.872 6.049 414 H THR 55 H THR 55 -8.736 -7.360 6.637 415 HA THR 55 HA THR 55 -11.172 -6.286 7.806 416 HB THR 55 HB THR 55 -11.244 -8.169 5.442 417 HG1 THR 55 HG1 THR 55 -12.218 -6.411 4.388 418 1HG2 THR 55 1HG2 THR 55 -13.060 -8.488 7.136 419 2HG2 THR 55 2HG2 THR 55 -13.603 -8.051 5.516 420 3HG2 THR 55 3HG2 THR 55 -13.570 -6.835 6.793 421 H GLU 56 H GLU 56 -10.135 -9.424 6.511 422 HA GLU 56 HA GLU 56 -9.927 -11.479 7.462 423 1HB GLU 56 1HB GLU 56 -9.344 -9.790 9.898 424 2HB GLU 56 2HB GLU 56 -9.155 -11.538 9.853 425 1HG GLU 56 1HG GLU 56 -7.440 -11.384 8.204 426 2HG GLU 56 2HG GLU 56 -7.728 -9.658 7.991 427 1H MET 1 1H MET 1 -11.191 16.337 1.560 428 2H MET 1 2H MET 1 -10.103 17.346 2.422 429 3H MET 1 3H MET 1 -9.881 15.644 2.421 430 HA MET 1 HA MET 1 -9.440 15.662 0.102 431 1HB MET 1 1HB MET 1 -10.878 17.974 0.112 432 2HB MET 1 2HB MET 1 -9.242 18.608 -0.002 433 1HG MET 1 1HG MET 1 -9.990 16.398 -1.829 434 2HG MET 1 2HG MET 1 -10.682 17.990 -2.135 435 1HE MET 1 1HE MET 1 -7.216 15.953 -1.880 436 2HE MET 1 2HE MET 1 -6.740 16.510 -3.483 437 3HE MET 1 3HE MET 1 -8.299 15.722 -3.252 438 H GLN 2 H GLN 2 -7.372 15.153 0.037 439 HA GLN 2 HA GLN 2 -5.494 16.538 1.797 440 1HB GLN 2 1HB GLN 2 -3.935 14.722 1.286 441 2HB GLN 2 2HB GLN 2 -5.474 14.095 1.853 442 1HG GLN 2 1HG GLN 2 -6.089 13.760 -0.571 443 2HG GLN 2 2HG GLN 2 -4.403 14.110 -0.950 444 1HE2 GLN 2 1HE2 GLN 2 -6.552 11.695 -0.377 445 2HE2 GLN 2 2HE2 GLN 2 -5.464 10.442 0.101 446 H TYR 3 H TYR 3 -4.156 18.055 1.101 447 HA TYR 3 HA TYR 3 -3.830 18.372 -1.802 448 1HB TYR 3 1HB TYR 3 -3.903 20.329 0.466 449 2HB TYR 3 2HB TYR 3 -3.103 20.755 -1.042 450 HD1 TYR 3 HD1 TYR 3 -6.306 20.118 0.587 451 HD2 TYR 3 HD2 TYR 3 -4.392 21.013 -3.106 452 HE1 TYR 3 HE1 TYR 3 -8.478 20.747 -0.379 453 HE2 TYR 3 HE2 TYR 3 -6.559 21.647 -4.081 454 HH TYR 3 HH TYR 3 -8.997 21.111 -3.654 455 H LYS 4 H LYS 4 -1.927 18.336 -2.722 456 HA LYS 4 HA LYS 4 0.454 17.964 -1.029 457 1HB LYS 4 1HB LYS 4 -0.441 16.298 -2.937 458 2HB LYS 4 2HB LYS 4 0.566 17.343 -3.931 459 1HG LYS 4 1HG LYS 4 2.411 16.900 -2.226 460 2HG LYS 4 2HG LYS 4 1.382 15.593 -1.638 461 1HD LYS 4 1HD LYS 4 2.713 14.492 -3.172 462 2HD LYS 4 2HD LYS 4 1.302 14.899 -4.150 463 1HE LYS 4 1HE LYS 4 2.468 16.869 -5.012 464 2HE LYS 4 2HE LYS 4 3.875 16.468 -4.029 465 1HZ LYS 4 1HZ LYS 4 3.736 15.751 -6.520 466 2HZ LYS 4 2HZ LYS 4 2.846 14.455 -5.897 467 3HZ LYS 4 3HZ LYS 4 4.431 14.723 -5.370 468 H VAL 5 H VAL 5 1.975 19.486 -1.002 469 HA VAL 5 HA VAL 5 2.273 21.273 -3.306 470 HB VAL 5 HB VAL 5 2.116 22.361 -0.497 471 1HG1 VAL 5 1HG1 VAL 5 2.071 24.523 -1.575 472 2HG1 VAL 5 2HG1 VAL 5 2.081 23.762 -3.167 473 3HG1 VAL 5 3HG1 VAL 5 3.489 23.624 -2.115 474 1HG2 VAL 5 1HG2 VAL 5 -0.069 23.296 -1.155 475 2HG2 VAL 5 2HG2 VAL 5 -0.077 21.534 -1.113 476 3HG2 VAL 5 3HG2 VAL 5 0.010 22.378 -2.658 477 H ILE 6 H ILE 6 4.337 21.643 -3.816 478 HA ILE 6 HA ILE 6 6.412 20.669 -2.004 479 HB ILE 6 HB ILE 6 6.766 21.605 -4.848 480 1HG1 ILE 6 1HG1 ILE 6 6.314 18.777 -3.872 481 2HG1 ILE 6 2HG1 ILE 6 5.111 19.753 -4.709 482 1HG2 ILE 6 1HG2 ILE 6 8.822 20.363 -4.780 483 2HG2 ILE 6 2HG2 ILE 6 8.447 19.753 -3.168 484 3HG2 ILE 6 3HG2 ILE 6 8.778 21.469 -3.407 485 1HD1 ILE 6 1HD1 ILE 6 7.164 19.901 -6.451 486 2HD1 ILE 6 2HD1 ILE 6 5.888 18.685 -6.517 487 3HD1 ILE 6 3HD1 ILE 6 7.432 18.301 -5.759 488 H LEU 7 H LEU 7 7.590 22.036 -0.806 489 HA LEU 7 HA LEU 7 8.037 24.762 -1.793 490 1HB LEU 7 1HB LEU 7 6.688 23.941 0.698 491 2HB LEU 7 2HB LEU 7 7.929 25.163 0.901 492 HG LEU 7 HG LEU 7 6.607 26.285 -1.132 493 1HD1 LEU 7 1HD1 LEU 7 4.438 25.716 -1.376 494 2HD1 LEU 7 2HD1 LEU 7 4.248 25.275 0.321 495 3HD1 LEU 7 3HD1 LEU 7 5.016 24.153 -0.801 496 1HD2 LEU 7 1HD2 LEU 7 7.005 26.889 1.453 497 2HD2 LEU 7 2HD2 LEU 7 5.258 26.654 1.472 498 3HD2 LEU 7 3HD2 LEU 7 5.975 27.845 0.387 499 H ASN 8 H ASN 8 10.179 24.931 -2.057 500 HA ASN 8 HA ASN 8 11.952 24.248 0.121 501 1HB ASN 8 1HB ASN 8 11.616 22.185 -1.431 502 2HB ASN 8 2HB ASN 8 12.628 23.081 -2.560 503 1HD2 ASN 8 1HD2 ASN 8 14.689 22.606 -2.462 504 2HD2 ASN 8 2HD2 ASN 8 15.546 22.047 -1.070 505 H GLY 9 H GLY 9 12.150 24.890 -3.363 506 1HA GLY 9 1HA GLY 9 12.910 27.547 -3.268 507 2HA GLY 9 2HA GLY 9 14.397 26.621 -3.113 508 H LYS 10 H LYS 10 15.143 25.400 -4.860 509 HA LYS 10 HA LYS 10 15.574 25.002 -7.058 510 1HB LYS 10 1HB LYS 10 12.555 25.001 -7.121 511 2HB LYS 10 2HB LYS 10 13.549 24.554 -8.501 512 1HG LYS 10 1HG LYS 10 14.620 22.947 -6.642 513 2HG LYS 10 2HG LYS 10 12.975 23.076 -6.016 514 1HD LYS 10 1HD LYS 10 12.805 21.256 -7.428 515 2HD LYS 10 2HD LYS 10 12.287 22.578 -8.476 516 1HE LYS 10 1HE LYS 10 13.783 21.359 -9.792 517 2HE LYS 10 2HE LYS 10 14.741 22.714 -9.197 518 1HZ LYS 10 1HZ LYS 10 14.769 19.918 -8.207 519 2HZ LYS 10 2HZ LYS 10 15.534 21.196 -7.407 520 3HZ LYS 10 3HZ LYS 10 16.032 20.755 -8.961 521 H THR 11 H THR 11 16.620 26.727 -7.877 522 HA THR 11 HA THR 11 15.013 28.692 -9.328 523 HB THR 11 HB THR 11 15.509 29.789 -7.224 524 HG1 THR 11 HG1 THR 11 17.249 30.744 -9.248 525 1HG2 THR 11 1HG2 THR 11 18.442 29.663 -7.722 526 2HG2 THR 11 2HG2 THR 11 17.640 28.354 -6.854 527 3HG2 THR 11 3HG2 THR 11 17.564 30.002 -6.230 528 H LEU 12 H LEU 12 16.037 29.612 -11.123 529 HA LEU 12 HA LEU 12 18.005 27.962 -12.358 530 1HB LEU 12 1HB LEU 12 16.076 29.510 -13.343 531 2HB LEU 12 2HB LEU 12 17.391 30.666 -13.432 532 HG LEU 12 HG LEU 12 18.665 28.792 -14.685 533 1HD1 LEU 12 1HD1 LEU 12 17.002 27.036 -14.131 534 2HD1 LEU 12 2HD1 LEU 12 17.304 27.202 -15.860 535 3HD1 LEU 12 3HD1 LEU 12 15.834 27.873 -15.154 536 1HD2 LEU 12 1HD2 LEU 12 18.234 30.599 -16.008 537 2HD2 LEU 12 2HD2 LEU 12 16.503 30.576 -15.670 538 3HD2 LEU 12 3HD2 LEU 12 17.197 29.410 -16.797 539 H LYS 13 H LYS 13 20.119 28.503 -12.987 540 HA LYS 13 HA LYS 13 21.544 30.090 -11.074 541 1HB LYS 13 1HB LYS 13 22.470 28.641 -13.560 542 2HB LYS 13 2HB LYS 13 23.546 29.432 -12.415 543 1HG LYS 13 1HG LYS 13 22.365 27.901 -10.670 544 2HG LYS 13 2HG LYS 13 21.933 26.947 -12.091 545 1HD LYS 13 1HD LYS 13 24.764 27.819 -11.661 546 2HD LYS 13 2HD LYS 13 24.128 26.410 -10.808 547 1HE LYS 13 1HE LYS 13 23.370 25.584 -13.101 548 2HE LYS 13 2HE LYS 13 24.419 26.835 -13.768 549 1HZ LYS 13 1HZ LYS 13 25.275 24.401 -13.308 550 2HZ LYS 13 2HZ LYS 13 25.563 25.038 -11.768 551 3HZ LYS 13 3HZ LYS 13 26.285 25.747 -13.124 552 H GLY 14 H GLY 14 20.730 32.197 -11.412 553 1HA GLY 14 1HA GLY 14 22.214 33.702 -13.353 554 2HA GLY 14 2HA GLY 14 20.501 33.623 -13.737 555 H GLU 15 H GLU 15 19.264 33.844 -11.362 556 HA GLU 15 HA GLU 15 19.910 36.583 -10.603 557 1HB GLU 15 1HB GLU 15 17.704 36.555 -9.492 558 2HB GLU 15 2HB GLU 15 17.600 36.122 -11.194 559 1HG GLU 15 1HG GLU 15 17.215 33.865 -10.715 560 2HG GLU 15 2HG GLU 15 17.763 34.038 -9.048 561 H THR 16 H THR 16 20.358 37.243 -8.516 562 HA THR 16 HA THR 16 21.292 35.119 -6.731 563 HB THR 16 HB THR 16 21.773 38.078 -6.405 564 HG1 THR 16 HG1 THR 16 22.926 37.951 -8.140 565 1HG2 THR 16 1HG2 THR 16 22.367 36.148 -4.665 566 2HG2 THR 16 2HG2 THR 16 23.376 37.574 -4.906 567 3HG2 THR 16 3HG2 THR 16 23.796 36.053 -5.694 568 H THR 17 H THR 17 19.887 34.452 -5.255 569 HA THR 17 HA THR 17 18.632 36.346 -3.485 570 HB THR 17 HB THR 17 16.347 35.165 -3.899 571 HG1 THR 17 HG1 THR 17 16.063 34.411 -5.963 572 1HG2 THR 17 1HG2 THR 17 15.601 36.909 -5.166 573 2HG2 THR 17 2HG2 THR 17 17.047 36.941 -6.175 574 3HG2 THR 17 3HG2 THR 17 17.102 37.583 -4.533 575 H THR 18 H THR 18 17.221 35.108 -1.840 576 HA THR 18 HA THR 18 18.813 32.874 -0.901 577 HB THR 18 HB THR 18 17.301 33.051 1.116 578 HG1 THR 18 HG1 THR 18 15.945 34.819 1.230 579 1HG2 THR 18 1HG2 THR 18 19.189 34.193 1.609 580 2HG2 THR 18 2HG2 THR 18 18.060 35.546 1.581 581 3HG2 THR 18 3HG2 THR 18 19.081 35.218 0.180 582 H GLU 19 H GLU 19 15.281 33.321 -0.845 583 HA GLU 19 HA GLU 19 14.650 31.160 -2.520 584 1HB GLU 19 1HB GLU 19 13.820 29.575 -0.743 585 2HB GLU 19 2HB GLU 19 15.569 29.684 -0.895 586 1HG GLU 19 1HG GLU 19 15.492 31.348 1.009 587 2HG GLU 19 2HG GLU 19 13.816 30.853 1.241 588 H ALA 20 H ALA 20 12.390 30.780 -2.680 589 HA ALA 20 HA ALA 20 10.778 32.896 -1.427 590 1HB ALA 20 1HB ALA 20 10.473 33.321 -3.636 591 2HB ALA 20 2HB ALA 20 9.198 32.122 -3.421 592 3HB ALA 20 3HB ALA 20 10.750 31.645 -4.110 593 H VAL 21 H VAL 21 10.679 29.499 -2.409 594 HA VAL 21 HA VAL 21 8.344 29.062 -0.697 595 HB VAL 21 HB VAL 21 8.479 26.700 -1.679 596 1HG1 VAL 21 1HG1 VAL 21 7.105 28.863 -2.440 597 2HG1 VAL 21 2HG1 VAL 21 6.983 27.310 -3.267 598 3HG1 VAL 21 3HG1 VAL 21 8.023 28.577 -3.919 599 1HG2 VAL 21 1HG2 VAL 21 9.800 26.264 -3.539 600 2HG2 VAL 21 2HG2 VAL 21 10.886 27.182 -2.495 601 3HG2 VAL 21 3HG2 VAL 21 10.094 27.974 -3.857 602 H ASP 22 H ASP 22 9.418 29.281 1.307 603 HA ASP 22 HA ASP 22 11.441 27.259 1.954 604 1HB ASP 22 1HB ASP 22 11.888 29.654 2.493 605 2HB ASP 22 2HB ASP 22 10.513 29.626 3.593 606 H ALA 23 H ALA 23 11.210 25.785 3.525 607 HA ALA 23 HA ALA 23 8.812 24.568 3.998 608 1HB ALA 23 1HB ALA 23 11.421 24.126 4.675 609 2HB ALA 23 2HB ALA 23 10.059 23.103 5.136 610 3HB ALA 23 3HB ALA 23 10.653 24.335 6.249 611 H ALA 24 H ALA 24 10.398 27.002 6.039 612 HA ALA 24 HA ALA 24 8.451 26.988 8.095 613 1HB ALA 24 1HB ALA 24 10.597 28.930 7.303 614 2HB ALA 24 2HB ALA 24 10.541 27.849 8.696 615 3HB ALA 24 3HB ALA 24 9.487 29.263 8.633 616 H THR 25 H THR 25 8.668 28.614 5.023 617 HA THR 25 HA THR 25 6.852 30.709 5.469 618 HB THR 25 HB THR 25 7.500 29.199 2.929 619 HG1 THR 25 HG1 THR 25 8.470 31.672 3.914 620 1HG2 THR 25 1HG2 THR 25 6.888 31.676 2.090 621 2HG2 THR 25 2HG2 THR 25 5.713 31.477 3.391 622 3HG2 THR 25 3HG2 THR 25 5.766 30.313 2.064 623 H PHE 26 H PHE 26 6.397 27.374 4.451 624 HA PHE 26 HA PHE 26 3.613 27.560 3.935 625 1HB PHE 26 1HB PHE 26 5.265 25.710 3.222 626 2HB PHE 26 2HB PHE 26 4.989 25.036 4.825 627 HD1 PHE 26 HD1 PHE 26 3.176 26.165 1.780 628 HD2 PHE 26 HD2 PHE 26 3.200 23.613 5.186 629 HE1 PHE 26 HE1 PHE 26 1.143 25.053 0.956 630 HE2 PHE 26 HE2 PHE 26 1.166 22.495 4.367 631 HZ PHE 26 HZ PHE 26 0.135 23.215 2.249 632 H GLU 27 H GLU 27 5.458 26.401 6.735 633 HA GLU 27 HA GLU 27 3.347 25.643 8.362 634 1HB GLU 27 1HB GLU 27 6.027 26.800 9.133 635 2HB GLU 27 2HB GLU 27 4.923 26.018 10.255 636 1HG GLU 27 1HG GLU 27 5.071 23.964 8.847 637 2HG GLU 27 2HG GLU 27 6.330 24.767 7.911 638 H LYS 28 H LYS 28 5.029 28.797 8.380 639 HA LYS 28 HA LYS 28 3.357 29.951 10.324 640 1HB LYS 28 1HB LYS 28 5.619 30.771 9.721 641 2HB LYS 28 2HB LYS 28 4.968 31.370 8.201 642 1HG LYS 28 1HG LYS 28 3.680 33.012 9.273 643 2HG LYS 28 2HG LYS 28 3.879 32.252 10.853 644 1HD LYS 28 1HD LYS 28 6.317 33.147 9.401 645 2HD LYS 28 2HD LYS 28 5.290 34.374 10.146 646 1HE LYS 28 1HE LYS 28 5.671 33.582 12.284 647 2HE LYS 28 2HE LYS 28 6.113 31.972 11.719 648 1HZ LYS 28 1HZ LYS 28 7.740 34.421 11.797 649 2HZ LYS 28 2HZ LYS 28 8.095 33.223 10.657 650 3HZ LYS 28 3HZ LYS 28 8.134 32.856 12.307 651 H VAL 29 H VAL 29 3.303 30.310 6.761 652 HA VAL 29 HA VAL 29 1.137 32.091 6.686 653 HB VAL 29 HB VAL 29 2.010 30.115 4.576 654 1HG1 VAL 29 1HG1 VAL 29 0.870 31.555 2.991 655 2HG1 VAL 29 2HG1 VAL 29 0.368 32.631 4.294 656 3HG1 VAL 29 3HG1 VAL 29 -0.268 30.986 4.214 657 1HG2 VAL 29 1HG2 VAL 29 2.679 32.975 4.342 658 2HG2 VAL 29 2HG2 VAL 29 3.633 31.548 3.940 659 3HG2 VAL 29 3HG2 VAL 29 3.525 32.093 5.614 660 H VAL 30 H VAL 30 1.231 28.552 6.546 661 HA VAL 30 HA VAL 30 -1.550 28.277 6.018 662 HB VAL 30 HB VAL 30 0.389 26.228 7.100 663 1HG1 VAL 30 1HG1 VAL 30 -2.386 25.914 5.957 664 2HG1 VAL 30 2HG1 VAL 30 -1.867 25.544 7.600 665 3HG1 VAL 30 3HG1 VAL 30 -1.267 24.583 6.249 666 1HG2 VAL 30 1HG2 VAL 30 0.872 25.623 4.932 667 2HG2 VAL 30 2HG2 VAL 30 0.692 27.369 4.763 668 3HG2 VAL 30 3HG2 VAL 30 -0.627 26.298 4.296 669 H LYS 31 H LYS 31 0.353 27.975 9.052 670 HA LYS 31 HA LYS 31 -1.832 27.245 10.654 671 1HB LYS 31 1HB LYS 31 0.666 27.151 11.210 672 2HB LYS 31 2HB LYS 31 0.530 28.859 11.604 673 1HG LYS 31 1HG LYS 31 -1.007 28.408 13.368 674 2HG LYS 31 2HG LYS 31 -1.153 26.718 12.883 675 1HD LYS 31 1HD LYS 31 1.042 26.220 13.591 676 2HD LYS 31 2HD LYS 31 1.471 27.927 13.717 677 1HE LYS 31 1HE LYS 31 0.412 28.187 15.725 678 2HE LYS 31 2HE LYS 31 -0.781 26.934 15.380 679 1HZ LYS 31 1HZ LYS 31 0.726 25.256 15.935 680 2HZ LYS 31 2HZ LYS 31 0.957 26.426 17.133 681 3HZ LYS 31 3HZ LYS 31 2.065 26.287 15.862 682 H GLN 32 H GLN 32 -0.414 30.407 9.904 683 HA GLN 32 HA GLN 32 -2.115 31.920 11.561 684 1HB GLN 32 1HB GLN 32 0.016 32.748 10.569 685 2HB GLN 32 2HB GLN 32 -0.778 32.815 9.002 686 1HG GLN 32 1HG GLN 32 -0.688 35.007 10.043 687 2HG GLN 32 2HG GLN 32 -2.353 34.460 9.850 688 1HE2 GLN 32 1HE2 GLN 32 -3.382 35.439 11.471 689 2HE2 GLN 32 2HE2 GLN 32 -2.967 35.302 13.143 690 H PHE 33 H PHE 33 -2.357 31.053 8.096 691 HA PHE 33 HA PHE 33 -4.757 32.474 7.666 692 1HB PHE 33 1HB PHE 33 -3.573 32.102 5.732 693 2HB PHE 33 2HB PHE 33 -3.133 30.464 6.181 694 HD1 PHE 33 HD1 PHE 33 -6.349 32.300 5.551 695 HD2 PHE 33 HD2 PHE 33 -3.912 28.900 4.776 696 HE1 PHE 33 HE1 PHE 33 -8.075 31.408 4.033 697 HE2 PHE 33 HE2 PHE 33 -5.631 28.000 3.268 698 HZ PHE 33 HZ PHE 33 -7.716 29.246 2.896 699 H PHE 34 H PHE 34 -4.128 29.034 8.355 700 HA PHE 34 HA PHE 34 -6.908 28.395 8.259 701 1HB PHE 34 1HB PHE 34 -4.439 26.866 8.940 702 2HB PHE 34 2HB PHE 34 -6.020 26.198 9.357 703 HD1 PHE 34 HD1 PHE 34 -3.907 27.367 6.565 704 HD2 PHE 34 HD2 PHE 34 -7.473 25.340 7.702 705 HE1 PHE 34 HE1 PHE 34 -4.237 26.645 4.236 706 HE2 PHE 34 HE2 PHE 34 -7.805 24.612 5.378 707 HZ PHE 34 HZ PHE 34 -6.192 25.273 3.638 708 H ASN 35 H ASN 35 -4.708 29.264 10.869 709 HA ASN 35 HA ASN 35 -6.259 28.411 13.035 710 1HB ASN 35 1HB ASN 35 -4.280 30.639 12.691 711 2HB ASN 35 2HB ASN 35 -5.206 30.524 14.183 712 1HD2 ASN 35 1HD2 ASN 35 -4.250 27.682 12.380 713 2HD2 ASN 35 2HD2 ASN 35 -3.078 27.126 13.518 714 H ASP 36 H ASP 36 -6.640 31.134 10.908 715 HA ASP 36 HA ASP 36 -8.421 32.685 12.419 716 1HB ASP 36 1HB ASP 36 -7.901 32.432 9.470 717 2HB ASP 36 2HB ASP 36 -9.165 33.496 10.081 718 H ASN 37 H ASN 37 -8.898 29.674 10.882 719 HA ASN 37 HA ASN 37 -11.818 30.048 10.910 720 1HB ASN 37 1HB ASN 37 -12.001 28.133 9.443 721 2HB ASN 37 2HB ASN 37 -10.854 29.284 8.770 722 1HD2 ASN 37 1HD2 ASN 37 -9.158 28.370 7.915 723 2HD2 ASN 37 2HD2 ASN 37 -8.401 26.910 8.442 724 H GLY 38 H GLY 38 -9.263 28.397 12.544 725 1HA GLY 38 1HA GLY 38 -10.133 27.691 14.820 726 2HA GLY 38 2HA GLY 38 -11.269 26.713 13.911 727 H VAL 39 H VAL 39 -8.132 26.866 12.525 728 HA VAL 39 HA VAL 39 -7.701 24.084 13.269 729 HB VAL 39 HB VAL 39 -6.035 25.793 11.418 730 1HG1 VAL 39 1HG1 VAL 39 -5.480 23.470 10.496 731 2HG1 VAL 39 2HG1 VAL 39 -6.139 22.852 12.011 732 3HG1 VAL 39 3HG1 VAL 39 -4.747 23.934 12.033 733 1HG2 VAL 39 1HG2 VAL 39 -8.619 24.450 11.034 734 2HG2 VAL 39 2HG2 VAL 39 -7.410 24.110 9.796 735 3HG2 VAL 39 3HG2 VAL 39 -7.883 25.775 10.134 736 H ASP 40 H ASP 40 -5.946 23.315 14.410 737 HA ASP 40 HA ASP 40 -3.867 25.113 15.305 738 1HB ASP 40 1HB ASP 40 -5.989 24.064 17.159 739 2HB ASP 40 2HB ASP 40 -4.369 24.415 17.752 740 H GLY 41 H GLY 41 -2.531 23.817 17.104 741 1HA GLY 41 1HA GLY 41 -1.936 21.502 17.754 742 2HA GLY 41 2HA GLY 41 -2.234 21.059 16.080 743 H GLU 42 H GLU 42 -0.200 20.284 15.626 744 HA GLU 42 HA GLU 42 1.838 22.318 15.228 745 1HB GLU 42 1HB GLU 42 2.167 19.949 17.046 746 2HB GLU 42 2HB GLU 42 3.553 20.661 16.231 747 1HG GLU 42 1HG GLU 42 2.662 22.883 17.252 748 2HG GLU 42 2HG GLU 42 1.815 21.807 18.363 749 H TRP 43 H TRP 43 3.544 21.642 13.796 750 HA TRP 43 HA TRP 43 2.589 19.942 11.705 751 1HB TRP 43 1HB TRP 43 5.166 21.445 12.133 752 2HB TRP 43 2HB TRP 43 4.903 20.417 10.728 753 HD1 TRP 43 HD1 TRP 43 4.093 23.824 12.111 754 HE1 TRP 43 HE1 TRP 43 2.728 25.153 10.379 755 HE3 TRP 43 HE3 TRP 43 3.081 20.054 8.809 756 HZ2 TRP 43 HZ2 TRP 43 1.399 24.667 7.936 757 HZ3 TRP 43 HZ3 TRP 43 1.756 20.570 6.800 758 HH2 TRP 43 HH2 TRP 43 0.933 22.829 6.375 759 H THR 44 H THR 44 2.726 17.838 11.627 760 HA THR 44 HA THR 44 4.883 16.510 13.122 761 HB THR 44 HB THR 44 3.421 14.539 13.213 762 HG1 THR 44 HG1 THR 44 2.141 14.687 11.460 763 1HG2 THR 44 1HG2 THR 44 1.974 17.004 14.148 764 2HG2 THR 44 2HG2 THR 44 3.227 16.142 15.041 765 3HG2 THR 44 3HG2 THR 44 1.687 15.352 14.695 766 H TYR 45 H TYR 45 6.145 15.046 12.143 767 HA TYR 45 HA TYR 45 6.378 15.154 9.297 768 1HB TYR 45 1HB TYR 45 7.836 13.683 11.469 769 2HB TYR 45 2HB TYR 45 8.113 13.265 9.781 770 HD1 TYR 45 HD1 TYR 45 8.782 15.650 12.421 771 HD2 TYR 45 HD2 TYR 45 9.027 14.983 8.225 772 HE1 TYR 45 HE1 TYR 45 10.395 17.497 12.226 773 HE2 TYR 45 HE2 TYR 45 10.642 16.827 8.021 774 HH TYR 45 HH TYR 45 12.412 17.958 10.060 775 H ASP 46 H ASP 46 5.882 13.623 7.771 776 HA ASP 46 HA ASP 46 3.743 11.844 8.384 777 1HB ASP 46 1HB ASP 46 5.421 12.013 5.870 778 2HB ASP 46 2HB ASP 46 3.871 11.194 6.024 779 H ASP 47 H ASP 47 3.760 9.512 7.919 780 HA ASP 47 HA ASP 47 5.862 8.192 9.277 781 1HB ASP 47 1HB ASP 47 3.485 7.251 7.696 782 2HB ASP 47 2HB ASP 47 4.681 6.100 8.288 783 H ALA 48 H ALA 48 7.628 7.111 8.555 784 HA ALA 48 HA ALA 48 8.826 7.795 6.159 785 1HB ALA 48 1HB ALA 48 9.798 6.715 8.309 786 2HB ALA 48 2HB ALA 48 10.559 6.393 6.751 787 3HB ALA 48 3HB ALA 48 9.484 5.195 7.472 788 H THR 49 H THR 49 8.953 6.955 4.159 789 HA THR 49 HA THR 49 7.382 4.537 3.561 790 HB THR 49 HB THR 49 7.564 7.020 1.839 791 HG1 THR 49 HG1 THR 49 5.970 7.679 3.007 792 1HG2 THR 49 1HG2 THR 49 5.970 4.494 1.489 793 2HG2 THR 49 2HG2 THR 49 7.261 5.094 0.448 794 3HG2 THR 49 3HG2 THR 49 5.736 5.973 0.556 795 H LYS 50 H LYS 50 8.088 3.361 1.651 796 HA LYS 50 HA LYS 50 10.892 3.917 0.936 797 1HB LYS 50 1HB LYS 50 10.249 1.862 2.498 798 2HB LYS 50 2HB LYS 50 9.906 1.106 0.948 799 1HG LYS 50 1HG LYS 50 12.102 1.122 0.296 800 2HG LYS 50 2HG LYS 50 12.509 2.500 1.320 801 1HD LYS 50 1HD LYS 50 11.794 -0.222 2.396 802 2HD LYS 50 2HD LYS 50 13.451 0.293 2.070 803 1HE LYS 50 1HE LYS 50 12.944 2.286 3.580 804 2HE LYS 50 2HE LYS 50 11.507 1.396 4.081 805 1HZ LYS 50 1HZ LYS 50 13.577 1.125 5.487 806 2HZ LYS 50 2HZ LYS 50 14.210 0.202 4.218 807 3HZ LYS 50 3HZ LYS 50 12.800 -0.300 5.007 808 H THR 51 H THR 51 11.048 4.415 -1.130 809 HA THR 51 HA THR 51 9.142 3.241 -3.035 810 HB THR 51 HB THR 51 10.782 5.781 -3.166 811 HG1 THR 51 HG1 THR 51 8.777 6.757 -3.109 812 1HG2 THR 51 1HG2 THR 51 9.853 6.277 -5.284 813 2HG2 THR 51 2HG2 THR 51 8.818 4.849 -5.240 814 3HG2 THR 51 3HG2 THR 51 10.564 4.667 -5.406 815 H PHE 52 H PHE 52 9.855 1.837 -4.523 816 HA PHE 52 HA PHE 52 12.643 1.100 -4.539 817 1HB PHE 52 1HB PHE 52 10.849 -0.605 -4.626 818 2HB PHE 52 2HB PHE 52 10.358 0.015 -6.198 819 HD1 PHE 52 HD1 PHE 52 12.985 -1.783 -4.365 820 HD2 PHE 52 HD2 PHE 52 11.586 -0.505 -8.176 821 HE1 PHE 52 HE1 PHE 52 14.596 -3.288 -5.458 822 HE2 PHE 52 HE2 PHE 52 13.194 -2.008 -9.275 823 HZ PHE 52 HZ PHE 52 14.701 -3.403 -7.916 824 H THR 53 H THR 53 14.096 2.117 -5.753 825 HA THR 53 HA THR 53 13.241 3.539 -8.152 826 HB THR 53 HB THR 53 15.946 3.439 -6.798 827 HG1 THR 53 HG1 THR 53 14.293 4.480 -5.578 828 1HG2 THR 53 1HG2 THR 53 16.625 4.254 -8.781 829 2HG2 THR 53 2HG2 THR 53 15.960 5.755 -8.134 830 3HG2 THR 53 3HG2 THR 53 15.005 4.775 -9.247 831 H VAL 54 H VAL 54 13.429 2.689 -10.125 832 HA VAL 54 HA VAL 54 14.543 0.096 -10.513 833 HB VAL 54 HB VAL 54 13.845 2.008 -12.732 834 1HG1 VAL 54 1HG1 VAL 54 13.055 -0.285 -13.678 835 2HG1 VAL 54 2HG1 VAL 54 14.127 -0.952 -12.446 836 3HG1 VAL 54 3HG1 VAL 54 14.770 0.123 -13.688 837 1HG2 VAL 54 1HG2 VAL 54 11.557 0.815 -12.570 838 2HG2 VAL 54 2HG2 VAL 54 11.900 2.146 -11.465 839 3HG2 VAL 54 3HG2 VAL 54 12.029 0.479 -10.905 840 H THR 55 H THR 55 16.228 -0.471 -12.016 841 HA THR 55 HA THR 55 18.150 1.595 -12.710 842 HB THR 55 HB THR 55 18.918 -0.764 -10.985 843 HG1 THR 55 HG1 THR 55 19.342 0.830 -9.426 844 1HG2 THR 55 1HG2 THR 55 20.661 0.003 -12.612 845 2HG2 THR 55 2HG2 THR 55 21.115 0.099 -10.911 846 3HG2 THR 55 3HG2 THR 55 20.645 1.559 -11.781 847 H GLU 56 H GLU 56 18.205 -1.941 -12.418 848 HA GLU 56 HA GLU 56 18.605 -3.596 -13.927 849 1HB GLU 56 1HB GLU 56 17.416 -1.548 -15.803 850 2HB GLU 56 2HB GLU 56 17.786 -3.202 -16.270 851 1HG GLU 56 1HG GLU 56 16.183 -4.072 -14.735 852 2HG GLU 56 2HG GLU 56 15.928 -2.482 -14.020 853 1H MET 1 1H MET 1 5.662 0.167 9.200 854 2H MET 1 2H MET 1 4.739 -0.787 8.112 855 3H MET 1 3H MET 1 4.246 0.815 8.484 856 HA MET 1 HA MET 1 6.183 1.690 7.453 857 1HB MET 1 1HB MET 1 7.247 -0.762 7.969 858 2HB MET 1 2HB MET 1 6.908 -0.911 6.250 859 1HG MET 1 1HG MET 1 8.299 1.537 7.173 860 2HG MET 1 2HG MET 1 9.204 0.025 7.168 861 1HE MET 1 1HE MET 1 7.235 2.636 4.808 862 2HE MET 1 2HE MET 1 8.647 2.782 3.762 863 3HE MET 1 3HE MET 1 8.806 3.040 5.499 864 H GLN 2 H GLN 2 5.374 2.671 5.742 865 HA GLN 2 HA GLN 2 3.438 1.266 4.061 866 1HB GLN 2 1HB GLN 2 2.902 3.466 3.131 867 2HB GLN 2 2HB GLN 2 2.796 3.474 4.885 868 1HG GLN 2 1HG GLN 2 5.122 4.452 4.895 869 2HG GLN 2 2HG GLN 2 4.938 4.667 3.154 870 1HE2 GLN 2 1HE2 GLN 2 4.621 6.154 6.064 871 2HE2 GLN 2 2HE2 GLN 2 3.496 7.393 5.638 872 H TYR 3 H TYR 3 3.944 0.445 2.150 873 HA TYR 3 HA TYR 3 6.521 1.214 0.965 874 1HB TYR 3 1HB TYR 3 4.968 -1.350 0.981 875 2HB TYR 3 2HB TYR 3 6.141 -1.036 -0.295 876 HD1 TYR 3 HD1 TYR 3 5.680 -1.778 3.249 877 HD2 TYR 3 HD2 TYR 3 8.528 -0.884 0.219 878 HE1 TYR 3 HE1 TYR 3 7.486 -2.547 4.729 879 HE2 TYR 3 HE2 TYR 3 10.343 -1.652 1.690 880 HH TYR 3 HH TYR 3 10.717 -1.898 4.177 881 H LYS 4 H LYS 4 6.657 2.016 -0.987 882 HA LYS 4 HA LYS 4 4.183 2.356 -2.550 883 1HB LYS 4 1HB LYS 4 5.829 4.300 -1.692 884 2HB LYS 4 2HB LYS 4 6.609 3.931 -3.224 885 1HG LYS 4 1HG LYS 4 4.295 4.203 -4.268 886 2HG LYS 4 2HG LYS 4 3.831 4.947 -2.737 887 1HD LYS 4 1HD LYS 4 4.467 6.785 -3.983 888 2HD LYS 4 2HD LYS 4 5.957 6.405 -3.116 889 1HE LYS 4 1HE LYS 4 6.781 5.188 -5.069 890 2HE LYS 4 2HE LYS 4 5.287 5.550 -5.931 891 1HZ LYS 4 1HZ LYS 4 7.397 7.018 -6.258 892 2HZ LYS 4 2HZ LYS 4 6.865 7.772 -4.841 893 3HZ LYS 4 3HZ LYS 4 5.864 7.730 -6.204 894 H VAL 5 H VAL 5 3.975 1.329 -4.424 895 HA VAL 5 HA VAL 5 6.374 0.553 -5.926 896 HB VAL 5 HB VAL 5 4.157 -1.422 -5.390 897 1HG1 VAL 5 1HG1 VAL 5 5.659 -3.037 -6.376 898 2HG1 VAL 5 2HG1 VAL 5 6.908 -1.807 -6.561 899 3HG1 VAL 5 3HG1 VAL 5 5.417 -1.696 -7.495 900 1HG2 VAL 5 1HG2 VAL 5 5.751 -2.577 -3.913 901 2HG2 VAL 5 2HG2 VAL 5 5.316 -0.980 -3.303 902 3HG2 VAL 5 3HG2 VAL 5 6.874 -1.229 -4.092 903 H ILE 6 H ILE 6 6.174 0.887 -8.048 904 HA ILE 6 HA ILE 6 3.558 1.657 -9.092 905 HB ILE 6 HB ILE 6 6.214 1.859 -10.503 906 1HG1 ILE 6 1HG1 ILE 6 4.815 3.987 -8.867 907 2HG1 ILE 6 2HG1 ILE 6 6.245 3.099 -8.348 908 1HG2 ILE 6 1HG2 ILE 6 5.107 3.460 -11.913 909 2HG2 ILE 6 2HG2 ILE 6 3.644 3.372 -10.931 910 3HG2 ILE 6 3HG2 ILE 6 4.156 1.975 -11.877 911 1HD1 ILE 6 1HD1 ILE 6 7.096 4.055 -10.719 912 2HD1 ILE 6 2HD1 ILE 6 7.323 4.878 -9.176 913 3HD1 ILE 6 3HD1 ILE 6 5.984 5.333 -10.230 914 H LEU 7 H LEU 7 2.380 0.293 -10.291 915 HA LEU 7 HA LEU 7 3.758 -1.745 -11.890 916 1HB LEU 7 1HB LEU 7 1.806 -2.165 -9.719 917 2HB LEU 7 2HB LEU 7 1.467 -3.048 -11.196 918 HG LEU 7 HG LEU 7 4.045 -3.699 -10.937 919 1HD1 LEU 7 1HD1 LEU 7 4.913 -3.620 -8.856 920 2HD1 LEU 7 2HD1 LEU 7 3.346 -3.839 -8.075 921 3HD1 LEU 7 3HD1 LEU 7 3.811 -2.253 -8.691 922 1HD2 LEU 7 1HD2 LEU 7 1.719 -5.028 -10.802 923 2HD2 LEU 7 2HD2 LEU 7 2.270 -5.236 -9.141 924 3HD2 LEU 7 3HD2 LEU 7 3.280 -5.784 -10.479 925 H ASN 8 H ASN 8 3.254 -1.299 -13.951 926 HA ASN 8 HA ASN 8 0.478 -0.973 -14.700 927 1HB ASN 8 1HB ASN 8 1.524 1.339 -14.148 928 2HB ASN 8 2HB ASN 8 2.382 1.133 -15.672 929 1HD2 ASN 8 1HD2 ASN 8 1.438 2.059 -17.324 930 2HD2 ASN 8 2HD2 ASN 8 -0.260 2.301 -17.532 931 H GLY 9 H GLY 9 3.687 -0.387 -16.106 932 1HA GLY 9 1HA GLY 9 4.697 -1.990 -17.618 933 2HA GLY 9 2HA GLY 9 3.079 -2.446 -18.128 934 H LYS 10 H LYS 10 5.653 -1.193 -19.386 935 HA LYS 10 HA LYS 10 4.232 0.927 -20.863 936 1HB LYS 10 1HB LYS 10 7.080 0.688 -19.972 937 2HB LYS 10 2HB LYS 10 6.705 1.610 -21.422 938 1HG LYS 10 1HG LYS 10 4.956 2.777 -19.868 939 2HG LYS 10 2HG LYS 10 6.004 2.171 -18.583 940 1HD LYS 10 1HD LYS 10 7.014 4.180 -18.949 941 2HD LYS 10 2HD LYS 10 7.880 3.214 -20.145 942 1HE LYS 10 1HE LYS 10 5.999 3.928 -21.756 943 2HE LYS 10 2HE LYS 10 5.651 5.175 -20.559 944 1HZ LYS 10 1HZ LYS 10 7.996 4.866 -22.292 945 2HZ LYS 10 2HZ LYS 10 8.204 5.599 -20.782 946 3HZ LYS 10 3HZ LYS 10 7.122 6.261 -21.900 947 H THR 11 H THR 11 3.506 0.003 -22.681 948 HA THR 11 HA THR 11 5.106 -1.988 -24.069 949 HB THR 11 HB THR 11 3.001 -1.709 -25.687 950 HG1 THR 11 HG1 THR 11 1.780 -0.216 -24.810 951 1HG2 THR 11 1HG2 THR 11 3.352 -3.264 -23.203 952 2HG2 THR 11 2HG2 THR 11 3.059 -3.805 -24.857 953 3HG2 THR 11 3HG2 THR 11 1.727 -3.186 -23.882 954 H LEU 12 H LEU 12 5.201 -1.786 -26.522 955 HA LEU 12 HA LEU 12 6.051 -0.742 -28.352 956 1HB LEU 12 1HB LEU 12 4.753 1.754 -27.267 957 2HB LEU 12 2HB LEU 12 5.198 1.430 -28.932 958 HG LEU 12 HG LEU 12 3.173 -0.276 -27.515 959 1HD1 LEU 12 1HD1 LEU 12 2.705 2.339 -28.933 960 2HD1 LEU 12 2HD1 LEU 12 2.325 1.945 -27.257 961 3HD1 LEU 12 3HD1 LEU 12 1.440 1.166 -28.568 962 1HD2 LEU 12 1HD2 LEU 12 4.083 0.175 -30.311 963 2HD2 LEU 12 2HD2 LEU 12 2.391 -0.244 -30.034 964 3HD2 LEU 12 3HD2 LEU 12 3.670 -1.327 -29.482 965 H LYS 13 H LYS 13 8.190 -1.021 -27.562 966 HA LYS 13 HA LYS 13 9.704 1.363 -27.486 967 1HB LYS 13 1HB LYS 13 8.679 1.065 -25.082 968 2HB LYS 13 2HB LYS 13 9.963 -0.124 -24.901 969 1HG LYS 13 1HG LYS 13 11.292 2.034 -25.949 970 2HG LYS 13 2HG LYS 13 10.088 2.788 -24.901 971 1HD LYS 13 1HD LYS 13 10.834 1.356 -23.044 972 2HD LYS 13 2HD LYS 13 12.063 0.651 -24.097 973 1HE LYS 13 1HE LYS 13 12.039 3.596 -23.928 974 2HE LYS 13 2HE LYS 13 12.510 2.744 -22.458 975 1HZ LYS 13 1HZ LYS 13 14.502 2.996 -23.556 976 2HZ LYS 13 2HZ LYS 13 13.828 2.762 -25.090 977 3HZ LYS 13 3HZ LYS 13 14.045 1.444 -24.053 978 H GLY 14 H GLY 14 9.751 -0.928 -29.045 979 1HA GLY 14 1HA GLY 14 11.461 -2.145 -30.039 980 2HA GLY 14 2HA GLY 14 12.507 -1.727 -28.691 981 H GLU 15 H GLU 15 12.758 -4.210 -29.556 982 HA GLU 15 HA GLU 15 11.104 -5.887 -27.795 983 1HB GLU 15 1HB GLU 15 12.893 -6.802 -30.050 984 2HB GLU 15 2HB GLU 15 11.698 -7.759 -29.185 985 1HG GLU 15 1HG GLU 15 9.933 -6.267 -30.092 986 2HG GLU 15 2HG GLU 15 11.171 -5.461 -31.055 987 H THR 16 H THR 16 13.224 -4.295 -26.749 988 HA THR 16 HA THR 16 15.475 -6.061 -26.306 989 HB THR 16 HB THR 16 15.017 -3.507 -24.800 990 HG1 THR 16 HG1 THR 16 15.945 -3.705 -27.472 991 1HG2 THR 16 1HG2 THR 16 17.569 -4.409 -26.059 992 2HG2 THR 16 2HG2 THR 16 17.052 -5.052 -24.500 993 3HG2 THR 16 3HG2 THR 16 17.315 -3.319 -24.697 994 H THR 17 H THR 17 12.821 -4.678 -24.397 995 HA THR 17 HA THR 17 13.382 -6.695 -22.321 996 HB THR 17 HB THR 17 12.319 -5.129 -20.714 997 HG1 THR 17 HG1 THR 17 12.317 -3.389 -22.950 998 1HG2 THR 17 1HG2 THR 17 14.107 -3.584 -20.478 999 2HG2 THR 17 2HG2 THR 17 14.562 -3.764 -22.173 1000 3HG2 THR 17 3HG2 THR 17 14.784 -5.107 -21.052 1001 H THR 18 H THR 18 11.210 -6.801 -20.864 1002 HA THR 18 HA THR 18 8.904 -7.078 -22.655 1003 HB THR 18 HB THR 18 8.394 -9.292 -21.742 1004 HG1 THR 18 HG1 THR 18 9.797 -10.303 -20.357 1005 1HG2 THR 18 1HG2 THR 18 10.251 -10.604 -22.680 1006 2HG2 THR 18 2HG2 THR 18 11.190 -9.118 -22.837 1007 3HG2 THR 18 3HG2 THR 18 9.700 -9.322 -23.758 1008 H GLU 19 H GLU 19 9.801 -7.711 -19.256 1009 HA GLU 19 HA GLU 19 8.841 -7.092 -17.290 1010 1HB GLU 19 1HB GLU 19 7.662 -4.808 -18.880 1011 2HB GLU 19 2HB GLU 19 7.862 -4.880 -17.135 1012 1HG GLU 19 1HG GLU 19 10.342 -5.063 -17.547 1013 2HG GLU 19 2HG GLU 19 10.000 -4.668 -19.231 1014 H ALA 20 H ALA 20 6.708 -6.741 -16.177 1015 HA ALA 20 HA ALA 20 4.282 -7.237 -17.578 1016 1HB ALA 20 1HB ALA 20 5.458 -9.552 -16.042 1017 2HB ALA 20 2HB ALA 20 5.203 -9.474 -17.785 1018 3HB ALA 20 3HB ALA 20 3.820 -9.483 -16.691 1019 H VAL 21 H VAL 21 4.494 -5.225 -16.032 1020 HA VAL 21 HA VAL 21 3.691 -5.950 -13.306 1021 HB VAL 21 HB VAL 21 3.949 -3.441 -12.907 1022 1HG1 VAL 21 1HG1 VAL 21 5.657 -5.469 -12.590 1023 2HG1 VAL 21 2HG1 VAL 21 6.069 -3.802 -12.189 1024 3HG1 VAL 21 3HG1 VAL 21 6.589 -4.493 -13.726 1025 1HG2 VAL 21 1HG2 VAL 21 5.052 -2.098 -14.453 1026 2HG2 VAL 21 2HG2 VAL 21 3.938 -3.026 -15.457 1027 3HG2 VAL 21 3HG2 VAL 21 5.641 -3.479 -15.379 1028 H ASP 22 H ASP 22 1.545 -6.577 -13.809 1029 HA ASP 22 HA ASP 22 -0.244 -4.468 -14.790 1030 1HB ASP 22 1HB ASP 22 -0.331 -6.714 -15.863 1031 2HB ASP 22 2HB ASP 22 -0.818 -7.399 -14.315 1032 H ALA 23 H ALA 23 -1.938 -3.714 -13.657 1033 HA ALA 23 HA ALA 23 -1.789 -3.340 -10.956 1034 1HB ALA 23 1HB ALA 23 -3.446 -2.541 -12.974 1035 2HB ALA 23 2HB ALA 23 -3.615 -2.092 -11.275 1036 3HB ALA 23 3HB ALA 23 -4.539 -3.447 -11.926 1037 H ALA 24 H ALA 24 -3.622 -5.862 -12.654 1038 HA ALA 24 HA ALA 24 -4.772 -7.011 -10.335 1039 1HB ALA 24 1HB ALA 24 -4.376 -7.991 -13.143 1040 2HB ALA 24 2HB ALA 24 -5.868 -7.501 -12.339 1041 3HB ALA 24 3HB ALA 24 -5.083 -9.018 -11.895 1042 H THR 25 H THR 25 -1.693 -7.400 -11.914 1043 HA THR 25 HA THR 25 -0.938 -9.894 -10.866 1044 HB THR 25 HB THR 25 0.758 -7.505 -11.624 1045 HG1 THR 25 HG1 THR 25 0.103 -9.852 -13.070 1046 1HG2 THR 25 1HG2 THR 25 2.329 -9.620 -12.138 1047 2HG2 THR 25 2HG2 THR 25 1.530 -10.164 -10.663 1048 3HG2 THR 25 3HG2 THR 25 2.428 -8.644 -10.671 1049 H PHE 26 H PHE 26 -0.659 -6.627 -9.603 1050 HA PHE 26 HA PHE 26 0.858 -7.290 -7.297 1051 1HB PHE 26 1HB PHE 26 0.461 -4.967 -8.353 1052 2HB PHE 26 2HB PHE 26 -1.045 -4.962 -7.442 1053 HD1 PHE 26 HD1 PHE 26 2.624 -5.392 -7.018 1054 HD2 PHE 26 HD2 PHE 26 -1.067 -4.227 -5.247 1055 HE1 PHE 26 HE1 PHE 26 3.835 -4.591 -5.032 1056 HE2 PHE 26 HE2 PHE 26 0.139 -3.423 -3.257 1057 HZ PHE 26 HZ PHE 26 2.592 -3.604 -3.148 1058 H GLU 27 H GLU 27 -2.610 -6.738 -7.811 1059 HA GLU 27 HA GLU 27 -3.493 -7.110 -5.210 1060 1HB GLU 27 1HB GLU 27 -4.883 -7.775 -7.808 1061 2HB GLU 27 2HB GLU 27 -5.681 -7.708 -6.242 1062 1HG GLU 27 1HG GLU 27 -4.952 -5.327 -6.062 1063 2HG GLU 27 2HG GLU 27 -4.375 -5.440 -7.724 1064 H LYS 28 H LYS 28 -3.368 -9.578 -7.792 1065 HA LYS 28 HA LYS 28 -4.235 -11.689 -6.150 1066 1HB LYS 28 1HB LYS 28 -4.313 -11.686 -8.631 1067 2HB LYS 28 2HB LYS 28 -2.566 -11.874 -8.658 1068 1HG LYS 28 1HG LYS 28 -2.675 -14.040 -7.761 1069 2HG LYS 28 2HG LYS 28 -4.354 -13.834 -7.259 1070 1HD LYS 28 1HD LYS 28 -3.708 -13.572 -10.151 1071 2HD LYS 28 2HD LYS 28 -3.712 -15.187 -9.441 1072 1HE LYS 28 1HE LYS 28 -5.967 -15.102 -8.936 1073 2HE LYS 28 2HE LYS 28 -6.006 -13.340 -8.943 1074 1HZ LYS 28 1HZ LYS 28 -6.072 -15.206 -11.216 1075 2HZ LYS 28 2HZ LYS 28 -5.461 -13.645 -11.441 1076 3HZ LYS 28 3HZ LYS 28 -7.051 -13.861 -10.906 1077 H VAL 29 H VAL 29 -0.921 -10.827 -7.195 1078 HA VAL 29 HA VAL 29 0.359 -12.941 -5.865 1079 HB VAL 29 HB VAL 29 1.471 -10.218 -6.555 1080 1HG1 VAL 29 1HG1 VAL 29 3.657 -11.270 -6.446 1081 2HG1 VAL 29 2HG1 VAL 29 2.918 -12.808 -5.998 1082 3HG1 VAL 29 3HG1 VAL 29 2.830 -11.432 -4.896 1083 1HG2 VAL 29 1HG2 VAL 29 2.118 -12.587 -8.186 1084 2HG2 VAL 29 2HG2 VAL 29 1.812 -10.920 -8.673 1085 3HG2 VAL 29 3HG2 VAL 29 0.462 -11.995 -8.311 1086 H VAL 30 H VAL 30 -0.400 -9.652 -4.788 1087 HA VAL 30 HA VAL 30 1.016 -9.894 -2.332 1088 HB VAL 30 HB VAL 30 -1.146 -7.925 -3.093 1089 1HG1 VAL 30 1HG1 VAL 30 0.803 -7.932 -0.791 1090 2HG1 VAL 30 2HG1 VAL 30 -0.957 -8.009 -0.696 1091 3HG1 VAL 30 3HG1 VAL 30 -0.168 -6.541 -1.273 1092 1HG2 VAL 30 1HG2 VAL 30 0.491 -6.529 -3.910 1093 2HG2 VAL 30 2HG2 VAL 30 1.129 -8.105 -4.380 1094 3HG2 VAL 30 3HG2 VAL 30 1.764 -7.286 -2.954 1095 H LYS 31 H LYS 31 -2.477 -10.191 -3.126 1096 HA LYS 31 HA LYS 31 -3.306 -10.589 -0.472 1097 1HB LYS 31 1HB LYS 31 -4.733 -10.092 -2.541 1098 2HB LYS 31 2HB LYS 31 -4.630 -11.813 -2.887 1099 1HG LYS 31 1HG LYS 31 -5.769 -12.366 -0.867 1100 2HG LYS 31 2HG LYS 31 -5.687 -10.695 -0.302 1101 1HD LYS 31 1HD LYS 31 -7.239 -9.965 -1.925 1102 2HD LYS 31 2HD LYS 31 -7.098 -11.464 -2.844 1103 1HE LYS 31 1HE LYS 31 -8.462 -12.624 -1.429 1104 2HE LYS 31 2HE LYS 31 -8.017 -11.652 -0.028 1105 1HZ LYS 31 1HZ LYS 31 -9.466 -9.953 -0.661 1106 2HZ LYS 31 2HZ LYS 31 -10.348 -11.366 -0.949 1107 3HZ LYS 31 3HZ LYS 31 -9.634 -10.539 -2.240 1108 H GLN 32 H GLN 32 -2.388 -12.874 -3.024 1109 HA GLN 32 HA GLN 32 -2.902 -15.219 -1.554 1110 1HB GLN 32 1HB GLN 32 -2.577 -15.122 -4.024 1111 2HB GLN 32 2HB GLN 32 -0.861 -14.845 -3.753 1112 1HG GLN 32 1HG GLN 32 -1.309 -17.170 -4.297 1113 2HG GLN 32 2HG GLN 32 -0.664 -17.008 -2.664 1114 1HE2 GLN 32 1HE2 GLN 32 -1.518 -18.702 -1.637 1115 2HE2 GLN 32 2HE2 GLN 32 -3.207 -19.039 -1.509 1116 H PHE 33 H PHE 33 0.101 -13.318 -1.982 1117 HA PHE 33 HA PHE 33 1.696 -15.039 -0.416 1118 1HB PHE 33 1HB PHE 33 2.923 -13.763 -1.881 1119 2HB PHE 33 2HB PHE 33 1.967 -12.318 -1.601 1120 HD1 PHE 33 HD1 PHE 33 4.133 -14.550 0.506 1121 HD2 PHE 33 HD2 PHE 33 3.141 -10.607 -0.749 1122 HE1 PHE 33 HE1 PHE 33 5.912 -13.642 1.952 1123 HE2 PHE 33 HE2 PHE 33 4.906 -9.693 0.698 1124 HZ PHE 33 HZ PHE 33 6.293 -11.203 2.053 1125 H PHE 34 H PHE 34 0.020 -11.994 0.369 1126 HA PHE 34 HA PHE 34 0.961 -12.047 3.065 1127 1HB PHE 34 1HB PHE 34 -0.911 -10.290 1.544 1128 2HB PHE 34 2HB PHE 34 -0.877 -10.206 3.307 1129 HD1 PHE 34 HD1 PHE 34 1.159 -9.816 0.252 1130 HD2 PHE 34 HD2 PHE 34 0.933 -9.216 4.460 1131 HE1 PHE 34 HE1 PHE 34 3.207 -8.455 0.166 1132 HE2 PHE 34 HE2 PHE 34 2.975 -7.850 4.380 1133 HZ PHE 34 HZ PHE 34 4.123 -7.477 2.233 1134 H ASN 35 H ASN 35 -1.980 -13.191 1.496 1135 HA ASN 35 HA ASN 35 -3.575 -13.522 3.768 1136 1HB ASN 35 1HB ASN 35 -3.443 -14.956 1.137 1137 2HB ASN 35 2HB ASN 35 -4.483 -15.580 2.414 1138 1HD2 ASN 35 1HD2 ASN 35 -3.885 -12.155 2.027 1139 2HD2 ASN 35 2HD2 ASN 35 -5.467 -11.752 1.468 1140 H ASP 36 H ASP 36 -0.869 -15.371 2.611 1141 HA ASP 36 HA ASP 36 -1.210 -17.723 4.099 1142 1HB ASP 36 1HB ASP 36 1.196 -16.363 2.916 1143 2HB ASP 36 2HB ASP 36 1.361 -17.841 3.860 1144 H ASN 37 H ASN 37 -0.381 -14.578 5.136 1145 HA ASN 37 HA ASN 37 0.738 -15.629 7.646 1146 1HB ASN 37 1HB ASN 37 1.668 -13.436 8.064 1147 2HB ASN 37 2HB ASN 37 2.137 -13.980 6.458 1148 1HD2 ASN 37 1HD2 ASN 37 2.078 -12.453 5.008 1149 2HD2 ASN 37 2HD2 ASN 37 0.980 -11.119 4.963 1150 H GLY 38 H GLY 38 -2.050 -14.064 6.346 1151 1HA GLY 38 1HA GLY 38 -3.958 -14.400 7.985 1152 2HA GLY 38 2HA GLY 38 -2.963 -13.479 9.095 1153 H VAL 39 H VAL 39 -2.814 -12.397 5.838 1154 HA VAL 39 HA VAL 39 -4.301 -10.010 6.597 1155 HB VAL 39 HB VAL 39 -2.826 -10.541 4.013 1156 1HG1 VAL 39 1HG1 VAL 39 -2.751 -7.983 4.047 1157 2HG1 VAL 39 2HG1 VAL 39 -4.023 -8.088 5.264 1158 3HG1 VAL 39 3HG1 VAL 39 -4.291 -8.748 3.651 1159 1HG2 VAL 39 1HG2 VAL 39 -1.869 -9.804 6.694 1160 2HG2 VAL 39 2HG2 VAL 39 -1.267 -8.793 5.378 1161 3HG2 VAL 39 3HG2 VAL 39 -1.007 -10.537 5.341 1162 H ASP 40 H ASP 40 -6.147 -9.274 5.583 1163 HA ASP 40 HA ASP 40 -7.275 -10.714 3.344 1164 1HB ASP 40 1HB ASP 40 -8.431 -10.896 6.113 1165 2HB ASP 40 2HB ASP 40 -9.466 -11.028 4.695 1166 H GLY 41 H GLY 41 -9.688 -9.821 3.066 1167 1HA GLY 41 1HA GLY 41 -11.043 -7.790 3.491 1168 2HA GLY 41 2HA GLY 41 -9.532 -6.894 3.459 1169 H GLU 42 H GLU 42 -10.044 -5.543 1.767 1170 HA GLU 42 HA GLU 42 -9.930 -6.770 -0.869 1171 1HB GLU 42 1HB GLU 42 -12.254 -5.146 0.131 1172 2HB GLU 42 2HB GLU 42 -11.851 -5.190 -1.580 1173 1HG GLU 42 1HG GLU 42 -11.920 -7.771 -1.244 1174 2HG GLU 42 2HG GLU 42 -12.874 -7.365 0.181 1175 H TRP 43 H TRP 43 -9.415 -5.260 -2.561 1176 HA TRP 43 HA TRP 43 -7.595 -3.237 -1.692 1177 1HB TRP 43 1HB TRP 43 -8.552 -4.128 -4.407 1178 2HB TRP 43 2HB TRP 43 -7.436 -2.780 -4.201 1179 HD1 TRP 43 HD1 TRP 43 -7.575 -6.543 -4.255 1180 HE1 TRP 43 HE1 TRP 43 -5.204 -7.496 -3.945 1181 HE3 TRP 43 HE3 TRP 43 -5.134 -2.243 -2.955 1182 HZ2 TRP 43 HZ2 TRP 43 -2.639 -6.549 -3.243 1183 HZ3 TRP 43 HZ3 TRP 43 -2.723 -2.352 -2.480 1184 HH2 TRP 43 HH2 TRP 43 -1.502 -4.462 -2.620 1185 H THR 44 H THR 44 -8.078 -1.265 -1.120 1186 HA THR 44 HA THR 44 -10.523 -0.041 -2.207 1187 HB THR 44 HB THR 44 -10.545 1.371 -0.197 1188 HG1 THR 44 HG1 THR 44 -8.481 1.526 0.449 1189 1HG2 THR 44 1HG2 THR 44 -10.282 -1.539 0.519 1190 2HG2 THR 44 2HG2 THR 44 -11.745 -0.747 -0.068 1191 3HG2 THR 44 3HG2 THR 44 -11.059 -0.289 1.492 1192 H TYR 45 H TYR 45 -10.448 1.924 -3.112 1193 HA TYR 45 HA TYR 45 -7.943 2.846 -4.132 1194 1HB TYR 45 1HB TYR 45 -10.779 3.800 -4.356 1195 2HB TYR 45 2HB TYR 45 -9.459 4.818 -4.922 1196 HD1 TYR 45 HD1 TYR 45 -11.511 1.921 -5.621 1197 HD2 TYR 45 HD2 TYR 45 -7.972 3.997 -6.747 1198 HE1 TYR 45 HE1 TYR 45 -11.476 0.696 -7.753 1199 HE2 TYR 45 HE2 TYR 45 -7.927 2.779 -8.881 1200 HH TYR 45 HH TYR 45 -10.122 1.498 -10.315 1201 H ASP 46 H ASP 46 -6.754 4.634 -3.578 1202 HA ASP 46 HA ASP 46 -6.962 5.529 -0.881 1203 1HB ASP 46 1HB ASP 46 -5.262 6.633 -3.130 1204 2HB ASP 46 2HB ASP 46 -5.037 6.949 -1.412 1205 H ASP 47 H ASP 47 -7.107 7.812 -0.232 1206 HA ASP 47 HA ASP 47 -9.408 9.058 -1.310 1207 1HB ASP 47 1HB ASP 47 -7.351 9.877 0.723 1208 2HB ASP 47 2HB ASP 47 -8.588 11.013 0.193 1209 H ALA 48 H ALA 48 -9.654 10.714 -2.729 1210 HA ALA 48 HA ALA 48 -7.762 11.189 -4.689 1211 1HB ALA 48 1HB ALA 48 -10.307 11.677 -4.625 1212 2HB ALA 48 2HB ALA 48 -9.255 12.690 -5.613 1213 3HB ALA 48 3HB ALA 48 -9.811 13.265 -4.041 1214 H THR 49 H THR 49 -6.206 12.658 -5.060 1215 HA THR 49 HA THR 49 -5.680 14.685 -2.991 1216 HB THR 49 HB THR 49 -3.600 13.054 -4.464 1217 HG1 THR 49 HG1 THR 49 -3.901 11.677 -2.934 1218 1HG2 THR 49 1HG2 THR 49 -3.315 15.086 -2.267 1219 2HG2 THR 49 2HG2 THR 49 -2.698 15.203 -3.915 1220 3HG2 THR 49 3HG2 THR 49 -2.035 13.999 -2.807 1221 H LYS 50 H LYS 50 -4.498 16.570 -3.746 1222 HA LYS 50 HA LYS 50 -4.734 16.981 -6.655 1223 1HB LYS 50 1HB LYS 50 -6.400 18.168 -4.953 1224 2HB LYS 50 2HB LYS 50 -5.059 19.296 -4.808 1225 1HG LYS 50 1HG LYS 50 -5.264 20.034 -6.966 1226 2HG LYS 50 2HG LYS 50 -6.002 18.531 -7.525 1227 1HD LYS 50 1HD LYS 50 -7.365 20.473 -5.667 1228 2HD LYS 50 2HD LYS 50 -7.552 20.505 -7.420 1229 1HE LYS 50 1HE LYS 50 -8.243 18.055 -7.217 1230 2HE LYS 50 2HE LYS 50 -8.391 18.364 -5.488 1231 1HZ LYS 50 1HZ LYS 50 -10.469 18.616 -6.884 1232 2HZ LYS 50 2HZ LYS 50 -9.780 20.034 -7.496 1233 3HZ LYS 50 3HZ LYS 50 -10.103 19.896 -5.841 1234 H THR 51 H THR 51 -2.808 17.264 -7.524 1235 HA THR 51 HA THR 51 -0.684 18.520 -5.925 1236 HB THR 51 HB THR 51 -0.547 16.645 -8.299 1237 HG1 THR 51 HG1 THR 51 0.368 15.261 -6.803 1238 1HG2 THR 51 1HG2 THR 51 1.814 16.691 -8.204 1239 2HG2 THR 51 2HG2 THR 51 1.808 17.723 -6.774 1240 3HG2 THR 51 3HG2 THR 51 1.281 18.367 -8.330 1241 H PHE 52 H PHE 52 0.064 20.471 -6.495 1242 HA PHE 52 HA PHE 52 -1.103 21.820 -8.762 1243 1HB PHE 52 1HB PHE 52 -0.786 22.965 -6.589 1244 2HB PHE 52 2HB PHE 52 0.958 22.814 -6.783 1245 HD1 PHE 52 HD1 PHE 52 -2.073 24.466 -8.040 1246 HD2 PHE 52 HD2 PHE 52 2.173 24.252 -8.247 1247 HE1 PHE 52 HE1 PHE 52 -2.030 26.594 -9.274 1248 HE2 PHE 52 HE2 PHE 52 2.224 26.380 -9.481 1249 HZ PHE 52 HZ PHE 52 0.121 27.555 -9.996 1250 H THR 53 H THR 53 -0.289 21.655 -10.743 1251 HA THR 53 HA THR 53 2.523 20.967 -11.102 1252 HB THR 53 HB THR 53 0.306 21.250 -13.143 1253 HG1 THR 53 HG1 THR 53 0.039 19.495 -11.683 1254 1HG2 THR 53 1HG2 THR 53 2.040 21.332 -14.568 1255 2HG2 THR 53 2HG2 THR 53 2.067 19.591 -14.290 1256 3HG2 THR 53 3HG2 THR 53 3.173 20.643 -13.406 1257 H VAL 54 H VAL 54 4.030 22.453 -11.519 1258 HA VAL 54 HA VAL 54 3.356 25.211 -11.750 1259 HB VAL 54 HB VAL 54 6.066 24.058 -12.369 1260 1HG1 VAL 54 1HG1 VAL 54 6.661 26.270 -11.141 1261 2HG1 VAL 54 2HG1 VAL 54 4.999 26.718 -11.526 1262 3HG1 VAL 54 3HG1 VAL 54 6.128 26.322 -12.822 1263 1HG2 VAL 54 1HG2 VAL 54 6.455 24.540 -9.857 1264 2HG2 VAL 54 2HG2 VAL 54 5.668 23.033 -10.323 1265 3HG2 VAL 54 3HG2 VAL 54 4.704 24.381 -9.722 1266 H THR 55 H THR 55 3.963 26.639 -13.483 1267 HA THR 55 HA THR 55 4.392 25.457 -16.103 1268 HB THR 55 HB THR 55 1.995 27.205 -15.528 1269 HG1 THR 55 HG1 THR 55 0.817 25.330 -16.026 1270 1HG2 THR 55 1HG2 THR 55 3.012 27.477 -17.800 1271 2HG2 THR 55 2HG2 THR 55 1.340 26.918 -17.781 1272 3HG2 THR 55 3HG2 THR 55 2.649 25.776 -18.085 1273 H GLU 56 H GLU 56 3.262 28.589 -14.876 1274 HA GLU 56 HA GLU 56 4.081 30.701 -15.086 1275 1HB GLU 56 1HB GLU 56 6.690 29.186 -15.207 1276 2HB GLU 56 2HB GLU 56 6.583 30.937 -15.109 1277 1HG GLU 56 1HG GLU 56 5.569 30.831 -12.957 1278 2HG GLU 56 2HG GLU 56 5.387 29.081 -13.070 1279 1H MET 1 1H MET 1 0.087 2.595 -12.999 1280 2H MET 1 2H MET 1 1.314 1.711 -12.189 1281 3H MET 1 3H MET 1 1.260 3.421 -12.064 1282 HA MET 1 HA MET 1 -0.803 3.311 -10.915 1283 1HB MET 1 1HB MET 1 -1.065 0.904 -12.163 1284 2HB MET 1 2HB MET 1 -0.619 0.386 -10.543 1285 1HG MET 1 1HG MET 1 -2.746 2.432 -10.792 1286 2HG MET 1 2HG MET 1 -3.132 0.780 -11.269 1287 1HE MET 1 1HE MET 1 -1.959 3.071 -8.167 1288 2HE MET 1 2HE MET 1 -3.293 2.467 -7.185 1289 3HE MET 1 3HE MET 1 -3.612 3.155 -8.776 1290 H GLN 2 H GLN 2 -0.256 3.962 -8.959 1291 HA GLN 2 HA GLN 2 2.098 2.812 -7.665 1292 1HB GLN 2 1HB GLN 2 1.966 4.705 -6.118 1293 2HB GLN 2 2HB GLN 2 1.980 5.249 -7.789 1294 1HG GLN 2 1HG GLN 2 -0.530 5.413 -7.629 1295 2HG GLN 2 2HG GLN 2 -0.345 5.160 -5.893 1296 1HE2 GLN 2 1HE2 GLN 2 -0.633 7.448 -8.233 1297 2HE2 GLN 2 2HE2 GLN 2 0.064 8.797 -7.408 1298 H TYR 3 H TYR 3 1.963 1.359 -6.098 1299 HA TYR 3 HA TYR 3 -0.665 0.914 -4.862 1300 1HB TYR 3 1HB TYR 3 1.606 -0.920 -5.542 1301 2HB TYR 3 2HB TYR 3 0.455 -1.367 -4.287 1302 HD1 TYR 3 HD1 TYR 3 0.960 -0.876 -7.869 1303 HD2 TYR 3 HD2 TYR 3 -1.883 -1.826 -4.848 1304 HE1 TYR 3 HE1 TYR 3 -0.584 -1.709 -9.592 1305 HE2 TYR 3 HE2 TYR 3 -3.434 -2.663 -6.562 1306 HH TYR 3 HH TYR 3 -3.828 -2.290 -9.029 1307 H LYS 4 H LYS 4 -0.953 1.039 -2.772 1308 HA LYS 4 HA LYS 4 1.362 1.667 -1.062 1309 1HB LYS 4 1HB LYS 4 -0.847 3.160 -1.401 1310 2HB LYS 4 2HB LYS 4 -1.396 2.144 -0.076 1311 1HG LYS 4 1HG LYS 4 0.766 2.813 1.104 1312 2HG LYS 4 2HG LYS 4 0.898 4.072 -0.126 1313 1HD LYS 4 1HD LYS 4 -0.216 5.180 1.568 1314 2HD LYS 4 2HD LYS 4 -1.554 4.621 0.561 1315 1HE LYS 4 1HE LYS 4 -1.859 2.695 2.038 1316 2HE LYS 4 2HE LYS 4 -0.518 3.248 3.040 1317 1HZ LYS 4 1HZ LYS 4 -2.975 3.815 3.659 1318 2HZ LYS 4 2HZ LYS 4 -2.758 5.079 2.555 1319 3HZ LYS 4 3HZ LYS 4 -1.746 4.951 3.903 1320 H VAL 5 H VAL 5 1.966 0.263 0.448 1321 HA VAL 5 HA VAL 5 0.001 -1.618 1.548 1322 HB VAL 5 HB VAL 5 2.696 -2.563 0.576 1323 1HG1 VAL 5 1HG1 VAL 5 1.817 -4.776 0.981 1324 2HG1 VAL 5 2HG1 VAL 5 0.256 -4.102 1.450 1325 3HG1 VAL 5 3HG1 VAL 5 1.679 -3.808 2.448 1326 1HG2 VAL 5 1HG2 VAL 5 1.463 -3.690 -1.241 1327 2HG2 VAL 5 2HG2 VAL 5 1.381 -1.932 -1.356 1328 3HG2 VAL 5 3HG2 VAL 5 -0.002 -2.841 -0.746 1329 H ILE 6 H ILE 6 0.185 -1.863 3.684 1330 HA ILE 6 HA ILE 6 2.476 -0.648 5.031 1331 HB ILE 6 HB ILE 6 -0.043 -1.703 6.308 1332 1HG1 ILE 6 1HG1 ILE 6 0.544 1.131 5.420 1333 2HG1 ILE 6 2HG1 ILE 6 -0.561 0.030 4.602 1334 1HG2 ILE 6 1HG2 ILE 6 0.570 -0.310 8.170 1335 2HG2 ILE 6 2HG2 ILE 6 1.944 0.345 7.278 1336 3HG2 ILE 6 3HG2 ILE 6 1.932 -1.352 7.758 1337 1HD1 ILE 6 1HD1 ILE 6 -1.561 -0.052 7.101 1338 2HD1 ILE 6 2HD1 ILE 6 -2.096 1.077 5.856 1339 3HD1 ILE 6 3HD1 ILE 6 -0.918 1.590 7.063 1340 H LEU 7 H LEU 7 4.075 -1.864 5.842 1341 HA LEU 7 HA LEU 7 3.475 -4.597 6.718 1342 1HB LEU 7 1HB LEU 7 5.357 -3.747 4.613 1343 2HB LEU 7 2HB LEU 7 6.025 -4.862 5.788 1344 HG LEU 7 HG LEU 7 3.773 -6.187 5.236 1345 1HD1 LEU 7 1HD1 LEU 7 2.821 -5.789 3.231 1346 2HD1 LEU 7 2HD1 LEU 7 4.337 -5.273 2.489 1347 3HD1 LEU 7 3HD1 LEU 7 3.432 -4.159 3.514 1348 1HD2 LEU 7 1HD2 LEU 7 6.388 -6.621 4.832 1349 2HD2 LEU 7 2HD2 LEU 7 5.851 -6.503 3.156 1350 3HD2 LEU 7 3HD2 LEU 7 5.129 -7.701 4.230 1351 H ASN 8 H ASN 8 3.909 -4.632 8.841 1352 HA ASN 8 HA ASN 8 6.476 -3.689 9.788 1353 1HB ASN 8 1HB ASN 8 4.730 -1.764 9.877 1354 2HB ASN 8 2HB ASN 8 4.059 -2.659 11.238 1355 1HD2 ASN 8 1HD2 ASN 8 4.746 -1.988 13.124 1356 2HD2 ASN 8 2HD2 ASN 8 6.293 -1.299 13.466 1357 H GLY 9 H GLY 9 3.310 -4.569 11.140 1358 1HA GLY 9 1HA GLY 9 3.194 -6.971 11.928 1359 2HA GLY 9 2HA GLY 9 4.691 -6.607 12.773 1360 H LYS 10 H LYS 10 4.456 -4.479 14.150 1361 HA LYS 10 HA LYS 10 2.223 -4.984 15.948 1362 1HB LYS 10 1HB LYS 10 4.677 -3.238 16.208 1363 2HB LYS 10 2HB LYS 10 3.437 -3.380 17.446 1364 1HG LYS 10 1HG LYS 10 3.916 -5.738 17.704 1365 2HG LYS 10 2HG LYS 10 5.100 -5.661 16.397 1366 1HD LYS 10 1HD LYS 10 6.469 -5.485 18.236 1367 2HD LYS 10 2HD LYS 10 6.163 -3.783 17.887 1368 1HE LYS 10 1HE LYS 10 4.081 -4.336 19.518 1369 2HE LYS 10 2HE LYS 10 5.294 -5.443 20.160 1370 1HZ LYS 10 1HZ LYS 10 6.814 -3.425 20.178 1371 2HZ LYS 10 2HZ LYS 10 5.591 -3.475 21.345 1372 3HZ LYS 10 3HZ LYS 10 5.413 -2.496 19.977 1373 H THR 11 H THR 11 0.440 -3.784 15.998 1374 HA THR 11 HA THR 11 0.558 -1.006 15.069 1375 HB THR 11 HB THR 11 -1.748 -2.763 14.279 1376 HG1 THR 11 HG1 THR 11 -0.446 -3.758 12.985 1377 1HG2 THR 11 1HG2 THR 11 -1.119 -0.030 13.909 1378 2HG2 THR 11 2HG2 THR 11 -2.515 -0.932 13.320 1379 3HG2 THR 11 3HG2 THR 11 -1.054 -0.827 12.337 1380 H LEU 12 H LEU 12 0.426 -2.179 17.718 1381 HA LEU 12 HA LEU 12 -0.653 -1.893 19.696 1382 1HB LEU 12 1HB LEU 12 -0.877 0.464 18.339 1383 2HB LEU 12 2HB LEU 12 -2.557 0.107 18.692 1384 HG LEU 12 HG LEU 12 -1.575 1.543 20.405 1385 1HD1 LEU 12 1HD1 LEU 12 -2.014 0.003 22.393 1386 2HD1 LEU 12 2HD1 LEU 12 -2.350 -1.246 21.193 1387 3HD1 LEU 12 3HD1 LEU 12 -3.322 0.226 21.230 1388 1HD2 LEU 12 1HD2 LEU 12 0.380 1.160 21.456 1389 2HD2 LEU 12 2HD2 LEU 12 0.721 0.182 20.029 1390 3HD2 LEU 12 3HD2 LEU 12 0.135 -0.585 21.506 1391 H LYS 13 H LYS 13 -1.660 -3.917 17.989 1392 HA LYS 13 HA LYS 13 -4.400 -4.063 19.011 1393 1HB LYS 13 1HB LYS 13 -3.547 -4.339 16.152 1394 2HB LYS 13 2HB LYS 13 -4.924 -5.260 16.743 1395 1HG LYS 13 1HG LYS 13 -5.738 -2.944 17.621 1396 2HG LYS 13 2HG LYS 13 -4.617 -2.314 16.411 1397 1HD LYS 13 1HD LYS 13 -6.706 -4.377 15.760 1398 2HD LYS 13 2HD LYS 13 -7.027 -2.644 15.676 1399 1HE LYS 13 1HE LYS 13 -5.727 -2.354 13.836 1400 2HE LYS 13 2HE LYS 13 -4.596 -3.624 14.303 1401 1HZ LYS 13 1HZ LYS 13 -6.170 -3.980 12.300 1402 2HZ LYS 13 2HZ LYS 13 -7.328 -4.338 13.480 1403 3HZ LYS 13 3HZ LYS 13 -5.908 -5.253 13.384 1404 H GLY 14 H GLY 14 -2.241 -5.253 20.191 1405 1HA GLY 14 1HA GLY 14 -2.295 -7.450 21.189 1406 2HA GLY 14 2HA GLY 14 -2.769 -8.097 19.624 1407 H GLU 15 H GLU 15 -0.927 -9.570 20.351 1408 HA GLU 15 HA GLU 15 1.396 -8.860 18.821 1409 1HB GLU 15 1HB GLU 15 2.995 -9.262 20.707 1410 2HB GLU 15 2HB GLU 15 2.066 -7.776 20.851 1411 1HG GLU 15 1HG GLU 15 0.544 -8.908 22.416 1412 2HG GLU 15 2HG GLU 15 1.539 -10.358 22.305 1413 H THR 16 H THR 16 -0.535 -10.856 18.554 1414 HA THR 16 HA THR 16 0.250 -13.338 19.653 1415 HB THR 16 HB THR 16 -1.291 -12.804 17.106 1416 HG1 THR 16 HG1 THR 16 -2.860 -12.250 18.356 1417 1HG2 THR 16 1HG2 THR 16 -0.514 -15.150 17.389 1418 2HG2 THR 16 2HG2 THR 16 -2.267 -14.957 17.366 1419 3HG2 THR 16 3HG2 THR 16 -1.428 -15.215 18.896 1420 H THR 17 H THR 17 1.955 -14.544 19.206 1421 HA THR 17 HA THR 17 3.815 -15.375 18.202 1422 HB THR 17 HB THR 17 3.578 -16.163 15.973 1423 HG1 THR 17 HG1 THR 17 2.940 -14.624 14.670 1424 1HG2 THR 17 1HG2 THR 17 1.515 -16.549 17.813 1425 2HG2 THR 17 2HG2 THR 17 1.929 -17.557 16.427 1426 3HG2 THR 17 3HG2 THR 17 0.731 -16.274 16.257 1427 H THR 18 H THR 18 5.360 -14.961 16.173 1428 HA THR 18 HA THR 18 6.425 -12.357 16.575 1429 HB THR 18 HB THR 18 7.925 -14.191 16.147 1430 HG1 THR 18 HG1 THR 18 8.931 -12.510 15.322 1431 1HG2 THR 18 1HG2 THR 18 7.952 -14.937 13.603 1432 2HG2 THR 18 2HG2 THR 18 6.221 -14.647 13.775 1433 3HG2 THR 18 3HG2 THR 18 7.031 -15.800 14.835 1434 H GLU 19 H GLU 19 7.005 -10.894 14.742 1435 HA GLU 19 HA GLU 19 4.653 -10.084 13.378 1436 1HB GLU 19 1HB GLU 19 6.088 -8.364 12.359 1437 2HB GLU 19 2HB GLU 19 6.321 -8.462 14.099 1438 1HG GLU 19 1HG GLU 19 8.281 -10.064 13.447 1439 2HG GLU 19 2HG GLU 19 8.163 -9.235 11.895 1440 H ALA 20 H ALA 20 3.943 -10.500 11.374 1441 HA ALA 20 HA ALA 20 5.501 -12.366 9.745 1442 1HB ALA 20 1HB ALA 20 3.540 -13.151 8.880 1443 2HB ALA 20 2HB ALA 20 2.728 -11.591 9.013 1444 3HB ALA 20 3HB ALA 20 2.967 -12.585 10.449 1445 H VAL 21 H VAL 21 4.037 -9.175 9.634 1446 HA VAL 21 HA VAL 21 4.930 -8.790 6.879 1447 HB VAL 21 HB VAL 21 3.867 -6.485 7.206 1448 1HG1 VAL 21 1HG1 VAL 21 2.877 -8.779 6.251 1449 2HG1 VAL 21 2HG1 VAL 21 1.946 -7.282 6.313 1450 3HG1 VAL 21 3HG1 VAL 21 1.738 -8.502 7.569 1451 1HG2 VAL 21 1HG2 VAL 21 2.481 -6.063 9.022 1452 2HG2 VAL 21 2HG2 VAL 21 3.880 -6.839 9.765 1453 3HG2 VAL 21 3HG2 VAL 21 2.405 -7.764 9.485 1454 H ASP 22 H ASP 22 7.178 -8.835 7.286 1455 HA ASP 22 HA ASP 22 8.272 -6.644 8.896 1456 1HB ASP 22 1HB ASP 22 9.095 -8.968 9.273 1457 2HB ASP 22 2HB ASP 22 9.709 -8.981 7.622 1458 H ALA 23 H ALA 23 9.584 -5.109 8.110 1459 HA ALA 23 HA ALA 23 9.201 -4.040 5.626 1460 1HB ALA 23 1HB ALA 23 10.622 -3.383 7.867 1461 2HB ALA 23 2HB ALA 23 10.556 -2.432 6.381 1462 3HB ALA 23 3HB ALA 23 11.888 -3.556 6.650 1463 H ALA 24 H ALA 24 11.803 -6.243 6.615 1464 HA ALA 24 HA ALA 24 13.147 -6.259 4.123 1465 1HB ALA 24 1HB ALA 24 13.206 -8.072 6.511 1466 2HB ALA 24 2HB ALA 24 14.434 -6.939 5.947 1467 3HB ALA 24 3HB ALA 24 14.135 -8.431 5.056 1468 H THR 25 H THR 25 10.419 -8.025 5.374 1469 HA THR 25 HA THR 25 10.432 -10.216 3.619 1470 HB THR 25 HB THR 25 8.112 -8.801 4.951 1471 HG1 THR 25 HG1 THR 25 9.531 -11.141 5.689 1472 1HG2 THR 25 1HG2 THR 25 7.305 -11.355 4.758 1473 2HG2 THR 25 2HG2 THR 25 8.166 -11.175 3.230 1474 3HG2 THR 25 3HG2 THR 25 6.839 -10.080 3.630 1475 H PHE 26 H PHE 26 9.085 -6.981 3.336 1476 HA PHE 26 HA PHE 26 7.747 -7.394 0.867 1477 1HB PHE 26 1HB PHE 26 7.446 -5.470 2.563 1478 2HB PHE 26 2HB PHE 26 8.831 -4.734 1.765 1479 HD1 PHE 26 HD1 PHE 26 5.466 -6.147 1.060 1480 HD2 PHE 26 HD2 PHE 26 8.520 -3.430 -0.124 1481 HE1 PHE 26 HE1 PHE 26 3.974 -5.231 -0.669 1482 HE2 PHE 26 HE2 PHE 26 7.033 -2.508 -1.855 1483 HZ PHE 26 HZ PHE 26 4.758 -3.409 -2.128 1484 H GLU 27 H GLU 27 10.890 -5.963 1.682 1485 HA GLU 27 HA GLU 27 11.723 -5.273 -0.870 1486 1HB GLU 27 1HB GLU 27 13.369 -6.190 1.489 1487 2HB GLU 27 2HB GLU 27 14.033 -5.429 0.051 1488 1HG GLU 27 1HG GLU 27 12.591 -3.450 0.527 1489 2HG GLU 27 2HG GLU 27 12.155 -4.210 2.057 1490 H LYS 28 H LYS 28 12.491 -8.292 0.883 1491 HA LYS 28 HA LYS 28 13.899 -9.458 -1.253 1492 1HB LYS 28 1HB LYS 28 14.090 -10.146 1.122 1493 2HB LYS 28 2HB LYS 28 12.492 -10.869 1.014 1494 1HG LYS 28 1HG LYS 28 13.226 -12.539 -0.462 1495 2HG LYS 28 2HG LYS 28 14.730 -11.684 -0.808 1496 1HD LYS 28 1HD LYS 28 14.174 -12.484 2.004 1497 2HD LYS 28 2HD LYS 28 14.654 -13.737 0.857 1498 1HE LYS 28 1HE LYS 28 16.741 -12.803 0.510 1499 2HE LYS 28 2HE LYS 28 16.222 -11.199 1.027 1500 1HZ LYS 28 1HZ LYS 28 16.979 -13.520 2.667 1501 2HZ LYS 28 2HZ LYS 28 15.920 -12.364 3.301 1502 3HZ LYS 28 3HZ LYS 28 17.471 -11.906 2.803 1503 H VAL 29 H VAL 29 10.530 -10.008 -0.165 1504 HA VAL 29 HA VAL 29 9.916 -11.941 -2.104 1505 HB VAL 29 HB VAL 29 8.042 -10.023 -0.716 1506 1HG1 VAL 29 1HG1 VAL 29 6.292 -11.625 -1.224 1507 2HG1 VAL 29 2HG1 VAL 29 7.452 -12.661 -2.058 1508 3HG1 VAL 29 3HG1 VAL 29 7.056 -11.071 -2.716 1509 1HG2 VAL 29 1HG2 VAL 29 8.246 -12.838 0.135 1510 2HG2 VAL 29 2HG2 VAL 29 8.037 -11.373 1.094 1511 3HG2 VAL 29 3HG2 VAL 29 9.638 -11.819 0.503 1512 H VAL 30 H VAL 30 9.557 -8.418 -2.155 1513 HA VAL 30 HA VAL 30 8.175 -8.373 -4.641 1514 HB VAL 30 HB VAL 30 9.650 -6.135 -3.247 1515 1HG1 VAL 30 1HG1 VAL 30 7.687 -6.087 -5.539 1516 2HG1 VAL 30 2HG1 VAL 30 9.377 -5.586 -5.577 1517 3HG1 VAL 30 3HG1 VAL 30 8.206 -4.663 -4.637 1518 1HG2 VAL 30 1HG2 VAL 30 7.695 -5.611 -2.145 1519 2HG2 VAL 30 2HG2 VAL 30 7.615 -7.372 -2.165 1520 3HG2 VAL 30 3HG2 VAL 30 6.681 -6.434 -3.329 1521 H LYS 31 H LYS 31 11.618 -7.778 -3.802 1522 HA LYS 31 HA LYS 31 12.407 -7.120 -6.416 1523 1HB LYS 31 1HB LYS 31 13.701 -6.817 -4.226 1524 2HB LYS 31 2HB LYS 31 14.157 -8.508 -4.391 1525 1HG LYS 31 1HG LYS 31 15.320 -8.077 -6.424 1526 2HG LYS 31 2HG LYS 31 14.691 -6.430 -6.499 1527 1HD LYS 31 1HD LYS 31 16.006 -5.737 -4.667 1528 2HD LYS 31 2HD LYS 31 16.385 -7.400 -4.211 1529 1HE LYS 31 1HE LYS 31 17.977 -7.627 -5.834 1530 2HE LYS 31 2HE LYS 31 17.191 -6.482 -6.919 1531 1HZ LYS 31 1HZ LYS 31 18.063 -4.674 -5.751 1532 2HZ LYS 31 2HZ LYS 31 19.354 -5.764 -5.845 1533 3HZ LYS 31 3HZ LYS 31 18.481 -5.610 -4.404 1534 H GLN 32 H GLN 32 12.367 -10.209 -4.672 1535 HA GLN 32 HA GLN 32 13.520 -11.749 -6.728 1536 1HB GLN 32 1HB GLN 32 13.297 -12.471 -4.351 1537 2HB GLN 32 2HB GLN 32 11.571 -12.684 -4.615 1538 1HG GLN 32 1HG GLN 32 12.757 -14.801 -4.739 1539 2HG GLN 32 2HG GLN 32 12.016 -14.390 -6.285 1540 1HE2 GLN 32 1HE2 GLN 32 13.310 -15.357 -7.714 1541 2HE2 GLN 32 2HE2 GLN 32 15.012 -15.091 -7.854 1542 H PHE 33 H PHE 33 10.096 -11.086 -5.916 1543 HA PHE 33 HA PHE 33 9.049 -12.696 -7.984 1544 1HB PHE 33 1HB PHE 33 7.554 -12.344 -6.275 1545 2HB PHE 33 2HB PHE 33 7.996 -10.657 -6.082 1546 HD1 PHE 33 HD1 PHE 33 6.539 -12.748 -8.841 1547 HD2 PHE 33 HD2 PHE 33 6.308 -9.229 -6.459 1548 HE1 PHE 33 HE1 PHE 33 4.498 -12.065 -10.046 1549 HE2 PHE 33 HE2 PHE 33 4.280 -8.536 -7.663 1550 HZ PHE 33 HZ PHE 33 3.372 -9.946 -9.459 1551 H PHE 34 H PHE 34 9.649 -9.189 -7.779 1552 HA PHE 34 HA PHE 34 8.650 -8.755 -10.418 1553 1HB PHE 34 1HB PHE 34 9.947 -7.019 -8.369 1554 2HB PHE 34 2HB PHE 34 9.807 -6.443 -10.032 1555 HD1 PHE 34 HD1 PHE 34 7.894 -7.608 -7.096 1556 HD2 PHE 34 HD2 PHE 34 7.729 -5.780 -10.936 1557 HE1 PHE 34 HE1 PHE 34 5.531 -7.038 -6.720 1558 HE2 PHE 34 HE2 PHE 34 5.367 -5.202 -10.564 1559 HZ PHE 34 HZ PHE 34 4.261 -5.841 -8.458 1560 H ASN 35 H ASN 35 11.870 -9.324 -9.106 1561 HA ASN 35 HA ASN 35 13.379 -8.471 -11.299 1562 1HB ASN 35 1HB ASN 35 13.828 -10.566 -9.200 1563 2HB ASN 35 2HB ASN 35 14.949 -10.439 -10.552 1564 1HD2 ASN 35 1HD2 ASN 35 13.328 -7.636 -9.225 1565 2HD2 ASN 35 2HD2 ASN 35 14.728 -6.938 -8.500 1566 H ASP 36 H ASP 36 11.444 -11.323 -10.853 1567 HA ASP 36 HA ASP 36 12.436 -12.917 -12.935 1568 1HB ASP 36 1HB ASP 36 9.784 -12.781 -11.527 1569 2HB ASP 36 2HB ASP 36 10.046 -13.899 -12.864 1570 H ASN 37 H ASN 37 10.613 -10.033 -13.061 1571 HA ASN 37 HA ASN 37 9.763 -10.612 -15.818 1572 1HB ASN 37 1HB ASN 37 8.175 -8.798 -15.631 1573 2HB ASN 37 2HB ASN 37 7.977 -9.897 -14.271 1574 1HD2 ASN 37 1HD2 ASN 37 7.623 -8.909 -12.445 1575 2HD2 ASN 37 2HD2 ASN 37 8.252 -7.372 -11.969 1576 H GLY 38 H GLY 38 11.986 -8.703 -13.994 1577 1HA GLY 38 1HA GLY 38 13.821 -7.939 -15.570 1578 2HA GLY 38 2HA GLY 38 12.535 -7.094 -16.411 1579 H VAL 39 H VAL 39 12.207 -7.099 -12.994 1580 HA VAL 39 HA VAL 39 12.845 -4.258 -12.960 1581 HB VAL 39 HB VAL 39 11.728 -5.938 -10.712 1582 1HG1 VAL 39 1HG1 VAL 39 10.859 -3.635 -10.014 1583 2HG1 VAL 39 2HG1 VAL 39 12.040 -2.984 -11.150 1584 3HG1 VAL 39 3HG1 VAL 39 12.577 -3.959 -9.784 1585 1HG2 VAL 39 1HG2 VAL 39 10.467 -4.803 -13.111 1586 2HG2 VAL 39 2HG2 VAL 39 9.642 -4.447 -11.593 1587 3HG2 VAL 39 3HG2 VAL 39 9.939 -6.121 -12.065 1588 H ASP 40 H ASP 40 14.413 -3.309 -11.692 1589 HA ASP 40 HA ASP 40 16.036 -4.907 -9.909 1590 1HB ASP 40 1HB ASP 40 17.059 -3.913 -12.555 1591 2HB ASP 40 2HB ASP 40 18.150 -4.112 -11.187 1592 H GLY 41 H GLY 41 18.063 -3.423 -9.273 1593 1HA GLY 41 1HA GLY 41 18.693 -1.042 -9.028 1594 2HA GLY 41 2HA GLY 41 16.981 -0.710 -8.811 1595 H GLU 42 H GLU 42 17.125 0.186 -6.783 1596 HA GLU 42 HA GLU 42 17.523 -1.714 -4.618 1597 1HB GLU 42 1HB GLU 42 19.176 0.767 -4.999 1598 2HB GLU 42 2HB GLU 42 18.885 0.114 -3.393 1599 1HG GLU 42 1HG GLU 42 19.740 -2.108 -4.442 1600 2HG GLU 42 2HG GLU 42 20.451 -1.039 -5.649 1601 H TRP 43 H TRP 43 16.643 -0.992 -2.588 1602 HA TRP 43 HA TRP 43 14.242 0.520 -2.928 1603 1HB TRP 43 1HB TRP 43 15.553 -0.767 -0.541 1604 2HB TRP 43 2HB TRP 43 14.064 0.165 -0.404 1605 HD1 TRP 43 HD1 TRP 43 15.372 -3.216 -1.427 1606 HE1 TRP 43 HE1 TRP 43 13.404 -4.728 -2.108 1607 HE3 TRP 43 HE3 TRP 43 11.656 0.293 -1.549 1608 HZ2 TRP 43 HZ2 TRP 43 10.642 -4.468 -2.628 1609 HZ3 TRP 43 HZ3 TRP 43 9.379 -0.421 -2.148 1610 HH2 TRP 43 HH2 TRP 43 8.883 -2.753 -2.677 1611 H THR 44 H THR 44 14.056 2.623 -2.882 1612 HA THR 44 HA THR 44 16.046 4.179 -1.376 1613 HB THR 44 HB THR 44 15.533 6.043 -2.890 1614 HG1 THR 44 HG1 THR 44 13.484 5.702 -3.545 1615 1HG2 THR 44 1HG2 THR 44 16.163 3.534 -4.423 1616 2HG2 THR 44 2HG2 THR 44 17.328 4.542 -3.564 1617 3HG2 THR 44 3HG2 THR 44 16.462 5.188 -4.958 1618 H TYR 45 H TYR 45 15.405 5.677 0.052 1619 HA TYR 45 HA TYR 45 12.786 5.437 1.174 1620 1HB TYR 45 1HB TYR 45 15.191 7.122 1.795 1621 2HB TYR 45 2HB TYR 45 13.647 7.469 2.566 1622 HD1 TYR 45 HD1 TYR 45 16.534 5.291 2.501 1623 HD2 TYR 45 HD2 TYR 45 12.579 5.732 4.005 1624 HE1 TYR 45 HE1 TYR 45 16.987 3.559 4.188 1625 HE2 TYR 45 HE2 TYR 45 13.020 4.003 5.695 1626 HH TYR 45 HH TYR 45 15.582 3.122 6.800 1627 H ASP 46 H ASP 46 11.075 6.847 1.100 1628 HA ASP 46 HA ASP 46 10.867 8.496 -1.214 1629 1HB ASP 46 1HB ASP 46 9.014 8.317 1.175 1630 2HB ASP 46 2HB ASP 46 8.622 9.031 -0.386 1631 H ASP 47 H ASP 47 10.264 10.795 -1.173 1632 HA ASP 47 HA ASP 47 12.110 12.330 0.325 1633 1HB ASP 47 1HB ASP 47 9.808 13.018 -1.482 1634 2HB ASP 47 2HB ASP 47 10.657 14.278 -0.593 1635 H ALA 48 H ALA 48 11.893 13.499 2.169 1636 HA ALA 48 HA ALA 48 10.042 12.778 4.093 1637 1HB ALA 48 1HB ALA 48 12.302 14.033 4.290 1638 2HB ALA 48 2HB ALA 48 11.033 14.340 5.476 1639 3HB ALA 48 3HB ALA 48 11.308 15.484 4.163 1640 H THR 49 H THR 49 8.126 13.521 4.799 1641 HA THR 49 HA THR 49 6.895 15.784 3.371 1642 HB THR 49 HB THR 49 5.501 13.235 4.216 1643 HG1 THR 49 HG1 THR 49 6.135 12.518 2.369 1644 1HG2 THR 49 1HG2 THR 49 4.490 15.611 2.678 1645 2HG2 THR 49 2HG2 THR 49 3.949 15.060 4.263 1646 3HG2 THR 49 3HG2 THR 49 3.641 14.074 2.834 1647 H LYS 50 H LYS 50 5.218 16.904 4.579 1648 HA LYS 50 HA LYS 50 5.448 16.514 7.492 1649 1HB LYS 50 1HB LYS 50 6.579 18.599 6.286 1650 2HB LYS 50 2HB LYS 50 4.946 19.244 6.409 1651 1HG LYS 50 1HG LYS 50 5.011 19.350 8.695 1652 2HG LYS 50 2HG LYS 50 6.208 18.061 8.831 1653 1HD LYS 50 1HD LYS 50 6.805 20.781 7.681 1654 2HD LYS 50 2HD LYS 50 7.054 20.361 9.377 1655 1HE LYS 50 1HE LYS 50 8.468 18.422 8.509 1656 2HE LYS 50 2HE LYS 50 8.430 19.245 6.950 1657 1HZ LYS 50 1HZ LYS 50 10.388 19.721 8.464 1658 2HZ LYS 50 2HZ LYS 50 9.315 20.618 9.415 1659 3HZ LYS 50 3HZ LYS 50 9.594 21.064 7.807 1660 H THR 51 H THR 51 3.574 15.922 8.315 1661 HA THR 51 HA THR 51 1.090 16.852 7.044 1662 HB THR 51 HB THR 51 1.659 14.432 8.772 1663 HG1 THR 51 HG1 THR 51 1.137 13.323 6.895 1664 1HG2 THR 51 1HG2 THR 51 -0.600 13.759 8.578 1665 2HG2 THR 51 2HG2 THR 51 -0.983 15.111 7.511 1666 3HG2 THR 51 3HG2 THR 51 -0.612 15.405 9.210 1667 H PHE 52 H PHE 52 -0.204 18.221 8.115 1668 HA PHE 52 HA PHE 52 0.590 19.155 10.726 1669 1HB PHE 52 1HB PHE 52 -0.169 20.719 8.964 1670 2HB PHE 52 2HB PHE 52 -1.767 19.982 9.021 1671 HD1 PHE 52 HD1 PHE 52 0.651 22.058 10.849 1672 HD2 PHE 52 HD2 PHE 52 -3.303 20.486 10.774 1673 HE1 PHE 52 HE1 PHE 52 0.001 23.615 12.640 1674 HE2 PHE 52 HE2 PHE 52 -3.961 22.041 12.564 1675 HZ PHE 52 HZ PHE 52 -2.307 23.608 13.499 1676 H THR 53 H THR 53 -0.039 18.183 12.537 1677 HA THR 53 HA THR 53 -2.476 16.579 12.549 1678 HB THR 53 HB THR 53 -0.368 16.940 14.689 1679 HG1 THR 53 HG1 THR 53 0.362 15.860 12.790 1680 1HG2 THR 53 1HG2 THR 53 -1.981 16.062 15.986 1681 2HG2 THR 53 2HG2 THR 53 -1.457 14.558 15.227 1682 3HG2 THR 53 3HG2 THR 53 -2.879 15.405 14.618 1683 H VAL 54 H VAL 54 -4.349 17.339 13.300 1684 HA VAL 54 HA VAL 54 -4.560 19.979 14.347 1685 HB VAL 54 HB VAL 54 -6.743 17.912 14.481 1686 1HG1 VAL 54 1HG1 VAL 54 -8.050 20.086 13.906 1687 2HG1 VAL 54 2HG1 VAL 54 -6.596 20.895 14.490 1688 3HG1 VAL 54 3HG1 VAL 54 -7.493 19.811 15.556 1689 1HG2 VAL 54 1HG2 VAL 54 -7.382 18.936 12.196 1690 2HG2 VAL 54 2HG2 VAL 54 -6.132 17.694 12.249 1691 3HG2 VAL 54 3HG2 VAL 54 -5.681 19.392 12.102 1692 H THR 55 H THR 55 -5.493 20.588 16.385 1693 HA THR 55 HA THR 55 -5.415 18.628 18.532 1694 HB THR 55 HB THR 55 -3.711 21.124 18.600 1695 HG1 THR 55 HG1 THR 55 -1.988 19.648 18.596 1696 1HG2 THR 55 1HG2 THR 55 -4.663 20.396 20.801 1697 2HG2 THR 55 2HG2 THR 55 -2.902 20.427 20.706 1698 3HG2 THR 55 3HG2 THR 55 -3.765 18.892 20.606 1699 H GLU 56 H GLU 56 -5.377 22.171 18.311 1700 HA GLU 56 HA GLU 56 -6.806 23.767 19.076 1701 1HB GLU 56 1HB GLU 56 -8.804 21.543 18.640 1702 2HB GLU 56 2HB GLU 56 -9.251 23.194 19.046 1703 1HG GLU 56 1HG GLU 56 -8.346 24.019 16.999 1704 2HG GLU 56 2HG GLU 56 -7.639 22.448 16.620 Start of MODEL 18 1 1H MET 1 1H MET 1 11.248 20.967 -0.152 2 2H MET 1 2H MET 1 9.809 21.716 -0.711 3 3H MET 1 3H MET 1 10.225 20.144 -1.255 4 HA MET 1 HA MET 1 9.949 19.264 0.910 5 1HB MET 1 1HB MET 1 10.707 21.341 2.057 6 2HB MET 1 2HB MET 1 9.163 22.086 1.667 7 1HG MET 1 1HG MET 1 8.991 21.374 3.893 8 2HG MET 1 2HG MET 1 8.073 20.205 2.944 9 1HE MET 1 1HE MET 1 8.213 18.042 2.941 10 2HE MET 1 2HE MET 1 9.330 16.977 3.795 11 3HE MET 1 3HE MET 1 9.736 17.577 2.187 12 H GLN 2 H GLN 2 8.150 18.097 0.798 13 HA GLN 2 HA GLN 2 5.831 19.168 -0.599 14 1HB GLN 2 1HB GLN 2 6.859 16.839 -0.980 15 2HB GLN 2 2HB GLN 2 6.084 16.389 0.532 16 1HG GLN 2 1HG GLN 2 3.924 16.783 -0.356 17 2HG GLN 2 2HG GLN 2 4.586 17.562 -1.792 18 1HE2 GLN 2 1HE2 GLN 2 3.612 14.643 -0.362 19 2HE2 GLN 2 2HE2 GLN 2 4.065 13.582 -1.647 20 H TYR 3 H TYR 3 4.142 20.011 0.432 21 HA TYR 3 HA TYR 3 3.822 19.388 3.287 22 1HB TYR 3 1HB TYR 3 3.299 21.869 1.697 23 2HB TYR 3 2HB TYR 3 2.421 21.586 3.196 24 HD1 TYR 3 HD1 TYR 3 5.699 22.297 1.717 25 HD2 TYR 3 HD2 TYR 3 3.558 21.637 5.333 26 HE1 TYR 3 HE1 TYR 3 7.604 23.178 3.000 27 HE2 TYR 3 HE2 TYR 3 5.455 22.516 6.626 28 HH TYR 3 HH TYR 3 7.955 22.760 6.291 29 H LYS 4 H LYS 4 2.025 18.623 4.069 30 HA LYS 4 HA LYS 4 -0.185 18.050 2.207 31 1HB LYS 4 1HB LYS 4 0.935 16.609 4.566 32 2HB LYS 4 2HB LYS 4 -0.780 16.430 4.224 33 1HG LYS 4 1HG LYS 4 -0.043 15.831 1.843 34 2HG LYS 4 2HG LYS 4 1.563 15.621 2.545 35 1HD LYS 4 1HD LYS 4 0.448 14.085 4.241 36 2HD LYS 4 2HD LYS 4 -0.964 14.119 3.182 37 1HE LYS 4 1HE LYS 4 0.227 13.113 1.405 38 2HE LYS 4 2HE LYS 4 1.778 13.371 2.202 39 1HZ LYS 4 1HZ LYS 4 -0.365 11.538 3.137 40 2HZ LYS 4 2HZ LYS 4 1.121 11.785 3.905 41 3HZ LYS 4 3HZ LYS 4 1.072 11.070 2.374 42 H VAL 5 H VAL 5 -2.173 18.849 2.551 43 HA VAL 5 HA VAL 5 -2.856 19.949 5.176 44 HB VAL 5 HB VAL 5 -3.276 21.541 2.646 45 1HG1 VAL 5 1HG1 VAL 5 -4.796 21.774 4.723 46 2HG1 VAL 5 2HG1 VAL 5 -4.134 23.232 3.983 47 3HG1 VAL 5 3HG1 VAL 5 -3.404 22.579 5.451 48 1HG2 VAL 5 1HG2 VAL 5 -0.930 21.532 2.988 49 2HG2 VAL 5 2HG2 VAL 5 -1.113 21.738 4.730 50 3HG2 VAL 5 3HG2 VAL 5 -1.521 23.061 3.637 51 H ILE 6 H ILE 6 -4.865 19.393 5.759 52 HA ILE 6 HA ILE 6 -6.621 18.233 3.725 53 HB ILE 6 HB ILE 6 -7.006 18.137 6.711 54 1HG1 ILE 6 1HG1 ILE 6 -5.706 16.020 4.989 55 2HG1 ILE 6 2HG1 ILE 6 -4.801 17.162 5.977 56 1HG2 ILE 6 1HG2 ILE 6 -8.388 16.177 6.175 57 2HG2 ILE 6 2HG2 ILE 6 -8.098 16.459 4.458 58 3HG2 ILE 6 3HG2 ILE 6 -8.989 17.648 5.409 59 1HD1 ILE 6 1HD1 ILE 6 -6.325 14.774 6.755 60 2HD1 ILE 6 2HD1 ILE 6 -6.482 16.168 7.824 61 3HD1 ILE 6 3HD1 ILE 6 -4.887 15.497 7.477 62 H LEU 7 H LEU 7 -8.359 19.298 3.006 63 HA LEU 7 HA LEU 7 -9.601 21.322 4.729 64 1HB LEU 7 1HB LEU 7 -8.442 21.689 2.023 65 2HB LEU 7 2HB LEU 7 -9.997 22.446 2.310 66 HG LEU 7 HG LEU 7 -8.733 23.340 4.482 67 1HD1 LEU 7 1HD1 LEU 7 -6.483 23.447 4.389 68 2HD1 LEU 7 2HD1 LEU 7 -6.453 23.585 2.631 69 3HD1 LEU 7 3HD1 LEU 7 -6.674 22.007 3.388 70 1HD2 LEU 7 1HD2 LEU 7 -8.301 25.402 3.271 71 2HD2 LEU 7 2HD2 LEU 7 -9.829 24.695 2.746 72 3HD2 LEU 7 3HD2 LEU 7 -8.393 24.541 1.735 73 H ASN 8 H ASN 8 -11.640 20.668 5.063 74 HA ASN 8 HA ASN 8 -12.928 18.944 3.101 75 1HB ASN 8 1HB ASN 8 -13.598 19.712 5.939 76 2HB ASN 8 2HB ASN 8 -14.718 18.810 4.921 77 1HD2 ASN 8 1HD2 ASN 8 -13.234 18.108 7.401 78 2HD2 ASN 8 2HD2 ASN 8 -12.400 16.643 7.021 79 H GLY 9 H GLY 9 -14.001 19.899 1.506 80 1HA GLY 9 1HA GLY 9 -15.265 22.502 1.982 81 2HA GLY 9 2HA GLY 9 -14.946 21.783 0.411 82 H LYS 10 H LYS 10 -16.677 20.665 3.322 83 HA LYS 10 HA LYS 10 -19.228 20.798 2.051 84 1HB LYS 10 1HB LYS 10 -19.696 18.403 1.960 85 2HB LYS 10 2HB LYS 10 -18.352 18.820 0.906 86 1HG LYS 10 1HG LYS 10 -16.770 17.916 2.427 87 2HG LYS 10 2HG LYS 10 -17.995 17.729 3.682 88 1HD LYS 10 1HD LYS 10 -18.060 15.600 2.932 89 2HD LYS 10 2HD LYS 10 -19.113 16.286 1.693 90 1HE LYS 10 1HE LYS 10 -17.186 16.563 0.212 91 2HE LYS 10 2HE LYS 10 -16.133 15.881 1.451 92 1HZ LYS 10 1HZ LYS 10 -16.803 13.803 0.997 93 2HZ LYS 10 2HZ LYS 10 -17.256 14.450 -0.498 94 3HZ LYS 10 3HZ LYS 10 -18.412 14.247 0.720 95 H THR 11 H THR 11 -20.943 20.392 3.474 96 HA THR 11 HA THR 11 -20.125 20.076 6.287 97 HB THR 11 HB THR 11 -22.662 21.419 5.382 98 HG1 THR 11 HG1 THR 11 -21.585 23.348 5.351 99 1HG2 THR 11 1HG2 THR 11 -22.819 21.143 7.659 100 2HG2 THR 11 2HG2 THR 11 -22.098 22.748 7.529 101 3HG2 THR 11 3HG2 THR 11 -21.087 21.355 7.911 102 H LEU 12 H LEU 12 -21.217 18.665 7.596 103 HA LEU 12 HA LEU 12 -22.930 16.735 6.225 104 1HB LEU 12 1HB LEU 12 -20.956 16.592 8.297 105 2HB LEU 12 2HB LEU 12 -22.472 15.957 8.907 106 HG LEU 12 HG LEU 12 -22.544 14.460 6.872 107 1HD1 LEU 12 1HD1 LEU 12 -20.781 14.265 5.431 108 2HD1 LEU 12 2HD1 LEU 12 -19.614 14.888 6.597 109 3HD1 LEU 12 3HD1 LEU 12 -20.714 15.994 5.773 110 1HD2 LEU 12 1HD2 LEU 12 -20.428 14.242 8.985 111 2HD2 LEU 12 2HD2 LEU 12 -20.673 12.969 7.789 112 3HD2 LEU 12 3HD2 LEU 12 -21.982 13.415 8.884 113 H LYS 13 H LYS 13 -22.956 19.021 8.886 114 HA LYS 13 HA LYS 13 -25.600 18.259 9.759 115 1HB LYS 13 1HB LYS 13 -23.738 20.500 10.542 116 2HB LYS 13 2HB LYS 13 -25.351 20.320 11.221 117 1HG LYS 13 1HG LYS 13 -23.388 18.065 11.332 118 2HG LYS 13 2HG LYS 13 -23.338 19.374 12.514 119 1HD LYS 13 1HD LYS 13 -25.649 18.920 13.137 120 2HD LYS 13 2HD LYS 13 -25.737 17.642 11.922 121 1HE LYS 13 1HE LYS 13 -24.614 16.172 13.204 122 2HE LYS 13 2HE LYS 13 -23.508 17.398 13.819 123 1HZ LYS 13 1HZ LYS 13 -26.308 17.007 14.732 124 2HZ LYS 13 2HZ LYS 13 -25.213 18.142 15.344 125 3HZ LYS 13 3HZ LYS 13 -24.928 16.489 15.562 126 H GLY 14 H GLY 14 -27.462 19.020 8.989 127 1HA GLY 14 1HA GLY 14 -27.435 20.976 6.866 128 2HA GLY 14 2HA GLY 14 -28.839 20.112 7.474 129 H GLU 15 H GLU 15 -26.499 22.543 8.635 130 HA GLU 15 HA GLU 15 -28.768 24.185 9.506 131 1HB GLU 15 1HB GLU 15 -26.351 23.505 11.189 132 2HB GLU 15 2HB GLU 15 -27.535 24.739 11.600 133 1HG GLU 15 1HG GLU 15 -29.277 22.911 11.516 134 2HG GLU 15 2HG GLU 15 -27.936 21.769 11.439 135 H THR 16 H THR 16 -28.041 26.446 10.072 136 HA THR 16 HA THR 16 -26.550 27.504 7.896 137 HB THR 16 HB THR 16 -28.408 28.734 8.913 138 HG1 THR 16 HG1 THR 16 -27.458 30.670 8.747 139 1HG2 THR 16 1HG2 THR 16 -27.334 28.056 11.345 140 2HG2 THR 16 2HG2 THR 16 -28.619 29.231 11.065 141 3HG2 THR 16 3HG2 THR 16 -26.945 29.769 11.194 142 H THR 17 H THR 17 -24.420 27.559 7.715 143 HA THR 17 HA THR 17 -22.787 28.279 10.015 144 HB THR 17 HB THR 17 -21.230 26.413 9.675 145 HG1 THR 17 HG1 THR 17 -21.720 26.002 7.479 146 1HG2 THR 17 1HG2 THR 17 -23.271 26.191 11.205 147 2HG2 THR 17 2HG2 THR 17 -22.409 24.724 10.740 148 3HG2 THR 17 3HG2 THR 17 -23.925 25.146 9.945 149 H THR 18 H THR 18 -20.495 28.687 9.364 150 HA THR 18 HA THR 18 -20.461 29.926 6.704 151 HB THR 18 HB THR 18 -18.394 31.104 7.687 152 HG1 THR 18 HG1 THR 18 -18.162 31.043 9.859 153 1HG2 THR 18 1HG2 THR 18 -20.067 32.615 7.567 154 2HG2 THR 18 2HG2 THR 18 -19.982 32.463 9.323 155 3HG2 THR 18 3HG2 THR 18 -21.214 31.583 8.419 156 H GLU 19 H GLU 19 -18.789 29.581 5.256 157 HA GLU 19 HA GLU 19 -17.525 27.012 5.419 158 1HB GLU 19 1HB GLU 19 -17.076 29.190 3.374 159 2HB GLU 19 2HB GLU 19 -16.686 27.484 3.200 160 1HG GLU 19 1HG GLU 19 -19.091 26.955 3.346 161 2HG GLU 19 2HG GLU 19 -19.439 28.682 3.413 162 H ALA 20 H ALA 20 -15.116 26.897 4.728 163 HA ALA 20 HA ALA 20 -13.363 28.976 5.521 164 1HB ALA 20 1HB ALA 20 -13.796 28.635 7.754 165 2HB ALA 20 2HB ALA 20 -12.422 27.558 7.498 166 3HB ALA 20 3HB ALA 20 -14.059 26.902 7.548 167 H VAL 21 H VAL 21 -13.043 25.515 6.170 168 HA VAL 21 HA VAL 21 -10.677 25.409 4.513 169 HB VAL 21 HB VAL 21 -10.603 22.995 5.240 170 1HG1 VAL 21 1HG1 VAL 21 -9.192 23.963 6.662 171 2HG1 VAL 21 2HG1 VAL 21 -10.514 23.987 7.828 172 3HG1 VAL 21 3HG1 VAL 21 -10.210 25.395 6.811 173 1HG2 VAL 21 1HG2 VAL 21 -13.068 22.840 5.679 174 2HG2 VAL 21 2HG2 VAL 21 -12.806 23.804 7.132 175 3HG2 VAL 21 3HG2 VAL 21 -12.045 22.221 6.977 176 H ASP 22 H ASP 22 -12.080 25.964 2.601 177 HA ASP 22 HA ASP 22 -13.411 23.608 1.448 178 1HB ASP 22 1HB ASP 22 -13.610 26.558 0.971 179 2HB ASP 22 2HB ASP 22 -14.037 25.446 -0.327 180 H ALA 23 H ALA 23 -12.861 22.788 -0.511 181 HA ALA 23 HA ALA 23 -10.218 22.581 -1.214 182 1HB ALA 23 1HB ALA 23 -11.013 21.129 -2.709 183 2HB ALA 23 2HB ALA 23 -11.985 22.364 -3.513 184 3HB ALA 23 3HB ALA 23 -12.610 21.541 -2.080 185 H ALA 24 H ALA 24 -12.639 24.821 -2.520 186 HA ALA 24 HA ALA 24 -10.942 26.010 -4.453 187 1HB ALA 24 1HB ALA 24 -13.404 26.113 -4.542 188 2HB ALA 24 2HB ALA 24 -12.652 27.703 -4.665 189 3HB ALA 24 3HB ALA 24 -13.389 27.192 -3.147 190 H THR 25 H THR 25 -11.471 26.574 -1.054 191 HA THR 25 HA THR 25 -10.429 29.176 -0.848 192 HB THR 25 HB THR 25 -10.474 26.912 1.158 193 HG1 THR 25 HG1 THR 25 -12.190 29.120 0.711 194 1HG2 THR 25 1HG2 THR 25 -9.124 28.192 2.387 195 2HG2 THR 25 2HG2 THR 25 -10.578 29.159 2.652 196 3HG2 THR 25 3HG2 THR 25 -9.421 29.629 1.406 197 H PHE 26 H PHE 26 -8.897 26.015 -0.761 198 HA PHE 26 HA PHE 26 -6.300 26.932 -0.063 199 1HB PHE 26 1HB PHE 26 -7.249 24.530 0.042 200 2HB PHE 26 2HB PHE 26 -6.819 24.437 -1.663 201 HD1 PHE 26 HD1 PHE 26 -5.437 25.057 1.713 202 HD2 PHE 26 HD2 PHE 26 -4.619 23.984 -2.323 203 HE1 PHE 26 HE1 PHE 26 -3.129 24.476 2.341 204 HE2 PHE 26 HE2 PHE 26 -2.310 23.399 -1.703 205 HZ PHE 26 HZ PHE 26 -1.564 23.645 0.631 206 H GLU 27 H GLU 27 -7.876 26.213 -3.138 207 HA GLU 27 HA GLU 27 -5.705 26.545 -4.843 208 1HB GLU 27 1HB GLU 27 -7.862 25.581 -5.518 209 2HB GLU 27 2HB GLU 27 -8.612 27.165 -5.379 210 1HG GLU 27 1HG GLU 27 -6.482 27.606 -7.075 211 2HG GLU 27 2HG GLU 27 -7.074 26.014 -7.548 212 H LYS 28 H LYS 28 -8.187 28.970 -3.995 213 HA LYS 28 HA LYS 28 -6.957 31.056 -5.443 214 1HB LYS 28 1HB LYS 28 -9.377 30.892 -4.672 215 2HB LYS 28 2HB LYS 28 -8.808 31.447 -3.104 216 1HG LYS 28 1HG LYS 28 -7.993 33.503 -4.094 217 2HG LYS 28 2HG LYS 28 -8.473 32.943 -5.696 218 1HD LYS 28 1HD LYS 28 -10.441 33.200 -3.440 219 2HD LYS 28 2HD LYS 28 -10.048 34.556 -4.499 220 1HE LYS 28 1HE LYS 28 -10.580 32.880 -6.410 221 2HE LYS 28 2HE LYS 28 -11.422 31.979 -5.150 222 1HZ LYS 28 1HZ LYS 28 -12.667 34.069 -4.671 223 2HZ LYS 28 2HZ LYS 28 -12.990 33.398 -6.190 224 3HZ LYS 28 3HZ LYS 28 -11.977 34.747 -6.060 225 H VAL 29 H VAL 29 -6.896 30.308 -1.942 226 HA VAL 29 HA VAL 29 -5.394 32.562 -1.199 227 HB VAL 29 HB VAL 29 -5.503 29.869 0.162 228 1HG1 VAL 29 1HG1 VAL 29 -3.623 31.294 0.895 229 2HG1 VAL 29 2HG1 VAL 29 -4.822 31.041 2.166 230 3HG1 VAL 29 3HG1 VAL 29 -4.776 32.571 1.291 231 1HG2 VAL 29 1HG2 VAL 29 -7.640 31.397 -0.331 232 2HG2 VAL 29 2HG2 VAL 29 -7.071 32.177 1.145 233 3HG2 VAL 29 3HG2 VAL 29 -7.457 30.456 1.149 234 H VAL 30 H VAL 30 -4.383 29.285 -2.084 235 HA VAL 30 HA VAL 30 -1.630 29.762 -1.533 236 HB VAL 30 HB VAL 30 -2.839 27.582 -3.239 237 1HG1 VAL 30 1HG1 VAL 30 -0.779 26.394 -2.920 238 2HG1 VAL 30 2HG1 VAL 30 -0.162 27.652 -1.851 239 3HG1 VAL 30 3HG1 VAL 30 -0.399 27.990 -3.565 240 1HG2 VAL 30 1HG2 VAL 30 -1.912 27.193 -0.431 241 2HG2 VAL 30 2HG2 VAL 30 -3.117 26.294 -1.355 242 3HG2 VAL 30 3HG2 VAL 30 -3.504 27.895 -0.723 243 H LYS 31 H LYS 31 -3.522 29.767 -4.580 244 HA LYS 31 HA LYS 31 -1.312 30.151 -6.267 245 1HB LYS 31 1HB LYS 31 -3.560 29.441 -7.027 246 2HB LYS 31 2HB LYS 31 -4.176 31.045 -6.654 247 1HG LYS 31 1HG LYS 31 -3.140 32.015 -8.453 248 2HG LYS 31 2HG LYS 31 -1.874 30.788 -8.524 249 1HD LYS 31 1HD LYS 31 -4.727 30.072 -9.093 250 2HD LYS 31 2HD LYS 31 -3.718 30.802 -10.343 251 1HE LYS 31 1HE LYS 31 -2.025 28.935 -9.652 252 2HE LYS 31 2HE LYS 31 -3.463 28.145 -9.006 253 1HZ LYS 31 1HZ LYS 31 -3.064 29.024 -11.815 254 2HZ LYS 31 2HZ LYS 31 -4.479 28.322 -11.209 255 3HZ LYS 31 3HZ LYS 31 -3.045 27.427 -11.257 256 H GLN 32 H GLN 32 -3.534 32.448 -4.734 257 HA GLN 32 HA GLN 32 -2.402 34.772 -5.858 258 1HB GLN 32 1HB GLN 32 -4.650 34.660 -4.804 259 2HB GLN 32 2HB GLN 32 -3.876 34.508 -3.232 260 1HG GLN 32 1HG GLN 32 -4.535 36.769 -3.491 261 2HG GLN 32 2HG GLN 32 -2.779 36.709 -3.643 262 1HE2 GLN 32 1HE2 GLN 32 -2.794 38.686 -4.750 263 2HE2 GLN 32 2HE2 GLN 32 -3.284 38.794 -6.403 264 H PHE 33 H PHE 33 -1.786 33.099 -2.755 265 HA PHE 33 HA PHE 33 0.066 35.002 -1.809 266 1HB PHE 33 1HB PHE 33 -0.892 33.755 -0.137 267 2HB PHE 33 2HB PHE 33 -0.809 32.258 -1.052 268 HD1 PHE 33 HD1 PHE 33 1.685 34.734 0.275 269 HD2 PHE 33 HD2 PHE 33 0.459 30.676 -0.095 270 HE1 PHE 33 HE1 PHE 33 3.645 34.023 1.593 271 HE2 PHE 33 HE2 PHE 33 2.417 29.959 1.211 272 HZ PHE 33 HZ PHE 33 4.012 31.625 2.054 273 H PHE 34 H PHE 34 0.536 31.856 -3.429 274 HA PHE 34 HA PHE 34 3.378 32.118 -3.338 275 1HB PHE 34 1HB PHE 34 1.502 30.145 -4.566 276 2HB PHE 34 2HB PHE 34 3.203 30.142 -5.037 277 HD1 PHE 34 HD1 PHE 34 0.867 29.705 -2.223 278 HD2 PHE 34 HD2 PHE 34 4.907 29.428 -3.535 279 HE1 PHE 34 HE1 PHE 34 1.454 28.506 -0.155 280 HE2 PHE 34 HE2 PHE 34 5.499 28.226 -1.474 281 HZ PHE 34 HZ PHE 34 3.777 27.772 0.226 282 H ASN 35 H ASN 35 0.942 32.956 -5.726 283 HA ASN 35 HA ASN 35 2.613 33.256 -7.957 284 1HB ASN 35 1HB ASN 35 0.038 34.563 -7.140 285 2HB ASN 35 2HB ASN 35 0.901 35.147 -8.558 286 1HD2 ASN 35 1HD2 ASN 35 0.977 31.780 -7.624 287 2HD2 ASN 35 2HD2 ASN 35 0.004 31.202 -8.926 288 H ASP 36 H ASP 36 2.170 35.246 -5.148 289 HA ASP 36 HA ASP 36 3.295 37.647 -6.055 290 1HB ASP 36 1HB ASP 36 3.100 36.419 -3.310 291 2HB ASP 36 2HB ASP 36 3.783 38.018 -3.584 292 H ASN 37 H ASN 37 4.769 34.639 -5.407 293 HA ASN 37 HA ASN 37 7.413 35.913 -5.186 294 1HB ASN 37 1HB ASN 37 8.257 33.825 -4.289 295 2HB ASN 37 2HB ASN 37 6.849 34.346 -3.371 296 1HD2 ASN 37 1HD2 ASN 37 5.572 32.753 -2.846 297 2HD2 ASN 37 2HD2 ASN 37 5.265 31.332 -3.779 298 H GLY 38 H GLY 38 5.454 34.001 -7.298 299 1HA GLY 38 1HA GLY 38 6.394 34.250 -9.645 300 2HA GLY 38 2HA GLY 38 7.829 33.491 -8.981 301 H VAL 39 H VAL 39 4.908 32.237 -7.710 302 HA VAL 39 HA VAL 39 5.346 29.770 -9.188 303 HB VAL 39 HB VAL 39 3.312 30.287 -7.018 304 1HG1 VAL 39 1HG1 VAL 39 2.661 28.335 -8.102 305 2HG1 VAL 39 2HG1 VAL 39 3.658 27.739 -6.775 306 3HG1 VAL 39 3HG1 VAL 39 4.325 27.832 -8.405 307 1HG2 VAL 39 1HG2 VAL 39 5.103 30.530 -5.689 308 2HG2 VAL 39 2HG2 VAL 39 6.208 29.861 -6.891 309 3HG2 VAL 39 3HG2 VAL 39 5.265 28.783 -5.862 310 H ASP 40 H ASP 40 3.854 28.795 -10.551 311 HA ASP 40 HA ASP 40 1.261 29.973 -10.980 312 1HB ASP 40 1HB ASP 40 3.497 30.334 -12.951 313 2HB ASP 40 2HB ASP 40 1.831 30.225 -13.510 314 H GLY 41 H GLY 41 0.350 28.907 -13.150 315 1HA GLY 41 1HA GLY 41 0.523 26.831 -14.493 316 2HA GLY 41 2HA GLY 41 1.046 26.034 -13.017 317 H GLU 42 H GLU 42 -0.590 24.518 -12.939 318 HA GLU 42 HA GLU 42 -3.168 25.545 -12.056 319 1HB GLU 42 1HB GLU 42 -2.879 23.627 -14.376 320 2HB GLU 42 2HB GLU 42 -4.397 24.011 -13.577 321 1HG GLU 42 1HG GLU 42 -3.824 26.455 -14.179 322 2HG GLU 42 2HG GLU 42 -2.698 25.734 -15.327 323 H TRP 43 H TRP 43 -4.452 23.978 -10.945 324 HA TRP 43 HA TRP 43 -2.878 22.137 -9.424 325 1HB TRP 43 1HB TRP 43 -5.851 22.671 -9.460 326 2HB TRP 43 2HB TRP 43 -5.046 21.604 -8.311 327 HD1 TRP 43 HD1 TRP 43 -5.457 25.307 -9.180 328 HE1 TRP 43 HE1 TRP 43 -4.646 26.716 -7.186 329 HE3 TRP 43 HE3 TRP 43 -3.473 21.576 -6.303 330 HZ2 TRP 43 HZ2 TRP 43 -3.338 26.301 -4.718 331 HZ3 TRP 43 HZ3 TRP 43 -2.459 22.166 -4.139 332 HH2 TRP 43 HH2 TRP 43 -2.394 24.481 -3.365 333 H THR 44 H THR 44 -2.350 20.180 -9.978 334 HA THR 44 HA THR 44 -4.077 18.730 -11.865 335 HB THR 44 HB THR 44 -2.087 17.428 -12.467 336 HG1 THR 44 HG1 THR 44 -0.821 17.429 -10.705 337 1HG2 THR 44 1HG2 THR 44 -0.765 19.120 -13.572 338 2HG2 THR 44 2HG2 THR 44 -1.490 20.374 -12.566 339 3HG2 THR 44 3HG2 THR 44 -2.483 19.488 -13.723 340 H TYR 45 H TYR 45 -4.733 16.696 -11.407 341 HA TYR 45 HA TYR 45 -4.898 15.953 -8.659 342 1HB TYR 45 1HB TYR 45 -5.804 14.692 -11.228 343 2HB TYR 45 2HB TYR 45 -5.875 13.781 -9.723 344 HD1 TYR 45 HD1 TYR 45 -7.391 16.405 -11.707 345 HD2 TYR 45 HD2 TYR 45 -7.303 14.601 -7.855 346 HE1 TYR 45 HE1 TYR 45 -9.539 17.473 -11.164 347 HE2 TYR 45 HE2 TYR 45 -9.451 15.663 -7.301 348 HH TYR 45 HH TYR 45 -10.683 18.156 -8.695 349 H ASP 46 H ASP 46 -3.861 14.344 -7.543 350 HA ASP 46 HA ASP 46 -1.243 13.658 -8.421 351 1HB ASP 46 1HB ASP 46 -2.810 12.544 -6.083 352 2HB ASP 46 2HB ASP 46 -1.069 12.430 -6.317 353 H ASP 47 H ASP 47 -0.403 11.439 -8.526 354 HA ASP 47 HA ASP 47 -1.853 9.867 -10.370 355 1HB ASP 47 1HB ASP 47 0.610 9.244 -8.731 356 2HB ASP 47 2HB ASP 47 -0.022 8.186 -9.988 357 H ALA 48 H ALA 48 -3.325 8.329 -10.075 358 HA ALA 48 HA ALA 48 -4.527 7.803 -7.638 359 1HB ALA 48 1HB ALA 48 -4.610 5.738 -9.785 360 2HB ALA 48 2HB ALA 48 -5.286 7.337 -10.095 361 3HB ALA 48 3HB ALA 48 -5.909 6.359 -8.766 362 H THR 49 H THR 49 -4.443 6.165 -6.159 363 HA THR 49 HA THR 49 -2.375 4.116 -6.430 364 HB THR 49 HB THR 49 -2.652 5.724 -3.893 365 HG1 THR 49 HG1 THR 49 -1.186 7.087 -4.598 366 1HG2 THR 49 1HG2 THR 49 -0.533 4.814 -3.288 367 2HG2 THR 49 2HG2 THR 49 -0.367 4.029 -4.859 368 3HG2 THR 49 3HG2 THR 49 -1.605 3.484 -3.727 369 H LYS 50 H LYS 50 -2.679 2.304 -4.964 370 HA LYS 50 HA LYS 50 -5.440 2.137 -3.948 371 1HB LYS 50 1HB LYS 50 -3.858 0.247 -5.619 372 2HB LYS 50 2HB LYS 50 -4.966 -0.434 -4.435 373 1HG LYS 50 1HG LYS 50 -6.819 0.760 -5.438 374 2HG LYS 50 2HG LYS 50 -5.725 1.530 -6.588 375 1HD LYS 50 1HD LYS 50 -5.589 -1.407 -6.509 376 2HD LYS 50 2HD LYS 50 -7.121 -0.744 -7.081 377 1HE LYS 50 1HE LYS 50 -5.499 0.794 -8.502 378 2HE LYS 50 2HE LYS 50 -4.403 -0.568 -8.272 379 1HZ LYS 50 1HZ LYS 50 -5.621 -0.868 -10.294 380 2HZ LYS 50 2HZ LYS 50 -7.102 -0.653 -9.506 381 3HZ LYS 50 3HZ LYS 50 -6.160 -2.020 -9.177 382 H THR 51 H THR 51 -5.615 1.766 -1.863 383 HA THR 51 HA THR 51 -3.300 0.683 -0.408 384 HB THR 51 HB THR 51 -5.595 2.432 0.506 385 HG1 THR 51 HG1 THR 51 -3.949 3.926 0.835 386 1HG2 THR 51 1HG2 THR 51 -4.649 2.516 2.684 387 2HG2 THR 51 2HG2 THR 51 -3.288 1.504 2.196 388 3HG2 THR 51 3HG2 THR 51 -4.912 0.819 2.279 389 H PHE 52 H PHE 52 -3.465 -1.224 0.636 390 HA PHE 52 HA PHE 52 -5.874 -2.771 0.303 391 1HB PHE 52 1HB PHE 52 -3.590 -3.745 0.034 392 2HB PHE 52 2HB PHE 52 -3.337 -3.530 1.762 393 HD1 PHE 52 HD1 PHE 52 -5.266 -5.357 -0.784 394 HD2 PHE 52 HD2 PHE 52 -4.289 -5.022 3.345 395 HE1 PHE 52 HE1 PHE 52 -6.297 -7.551 -0.365 396 HE2 PHE 52 HE2 PHE 52 -5.317 -7.216 3.770 397 HZ PHE 52 HZ PHE 52 -6.323 -8.484 1.915 398 H THR 53 H THR 53 -7.507 -2.785 1.687 399 HA THR 53 HA THR 53 -7.086 -1.821 4.415 400 HB THR 53 HB THR 53 -9.643 -2.441 2.921 401 HG1 THR 53 HG1 THR 53 -8.363 0.011 3.534 402 1HG2 THR 53 1HG2 THR 53 -9.144 -1.471 5.686 403 2HG2 THR 53 2HG2 THR 53 -10.375 -2.578 5.079 404 3HG2 THR 53 3HG2 THR 53 -10.526 -0.845 4.787 405 H VAL 54 H VAL 54 -6.894 -3.185 6.075 406 HA VAL 54 HA VAL 54 -7.051 -6.001 5.695 407 HB VAL 54 HB VAL 54 -6.969 -4.642 8.378 408 1HG1 VAL 54 1HG1 VAL 54 -7.149 -6.897 8.772 409 2HG1 VAL 54 2HG1 VAL 54 -5.396 -6.707 8.703 410 3HG1 VAL 54 3HG1 VAL 54 -6.271 -7.333 7.306 411 1HG2 VAL 54 1HG2 VAL 54 -4.806 -4.916 6.323 412 2HG2 VAL 54 2HG2 VAL 54 -4.417 -4.906 8.043 413 3HG2 VAL 54 3HG2 VAL 54 -5.231 -3.521 7.315 414 H THR 55 H THR 55 -8.395 -7.484 6.860 415 HA THR 55 HA THR 55 -10.866 -6.470 7.998 416 HB THR 55 HB THR 55 -10.885 -8.330 5.618 417 HG1 THR 55 HG1 THR 55 -11.649 -5.610 5.850 418 1HG2 THR 55 1HG2 THR 55 -13.250 -6.986 6.876 419 2HG2 THR 55 2HG2 THR 55 -12.734 -8.615 7.313 420 3HG2 THR 55 3HG2 THR 55 -13.228 -8.261 5.657 421 H GLU 56 H GLU 56 -9.711 -9.554 6.675 422 HA GLU 56 HA GLU 56 -9.474 -11.622 7.594 423 1HB GLU 56 1HB GLU 56 -8.912 -9.868 9.971 424 2HB GLU 56 2HB GLU 56 -8.882 -11.621 10.103 425 1HG GLU 56 1HG GLU 56 -7.068 -11.810 8.624 426 2HG GLU 56 2HG GLU 56 -7.251 -10.148 8.062 427 1H MET 1 1H MET 1 -11.254 17.014 1.666 428 2H MET 1 2H MET 1 -10.096 17.985 2.481 429 3H MET 1 3H MET 1 -9.973 16.274 2.531 430 HA MET 1 HA MET 1 -9.543 16.185 0.219 431 1HB MET 1 1HB MET 1 -10.964 18.158 -0.317 432 2HB MET 1 2HB MET 1 -9.714 19.203 0.345 433 1HG MET 1 1HG MET 1 -9.430 19.256 -1.981 434 2HG MET 1 2HG MET 1 -8.151 18.210 -1.367 435 1HE MET 1 1HE MET 1 -7.611 16.203 -1.988 436 2HE MET 1 2HE MET 1 -8.378 15.139 -3.168 437 3HE MET 1 3HE MET 1 -8.882 15.091 -1.479 438 H GLN 2 H GLN 2 -7.467 15.653 0.077 439 HA GLN 2 HA GLN 2 -5.532 16.946 1.826 440 1HB GLN 2 1HB GLN 2 -5.768 14.405 1.474 441 2HB GLN 2 2HB GLN 2 -4.961 14.673 -0.065 442 1HG GLN 2 1HG GLN 2 -2.992 15.447 1.002 443 2HG GLN 2 2HG GLN 2 -3.798 15.534 2.568 444 1HE2 GLN 2 1HE2 GLN 2 -2.035 13.602 0.404 445 2HE2 GLN 2 2HE2 GLN 2 -2.076 12.131 1.309 446 H TYR 3 H TYR 3 -4.242 18.531 1.160 447 HA TYR 3 HA TYR 3 -3.878 18.887 -1.735 448 1HB TYR 3 1HB TYR 3 -4.077 20.839 0.524 449 2HB TYR 3 2HB TYR 3 -3.227 21.288 -0.951 450 HD1 TYR 3 HD1 TYR 3 -6.490 20.479 0.514 451 HD2 TYR 3 HD2 TYR 3 -4.422 21.600 -3.031 452 HE1 TYR 3 HE1 TYR 3 -8.633 21.054 -0.548 453 HE2 TYR 3 HE2 TYR 3 -6.557 22.180 -4.102 454 HH TYR 3 HH TYR 3 -8.991 21.520 -3.831 455 H LYS 4 H LYS 4 -1.970 18.975 -2.618 456 HA LYS 4 HA LYS 4 0.394 18.609 -0.898 457 1HB LYS 4 1HB LYS 4 -0.334 17.630 -3.619 458 2HB LYS 4 2HB LYS 4 1.366 17.906 -3.269 459 1HG LYS 4 1HG LYS 4 0.974 16.451 -1.195 460 2HG LYS 4 2HG LYS 4 -0.520 15.961 -1.995 461 1HD LYS 4 1HD LYS 4 0.932 15.406 -4.013 462 2HD LYS 4 2HD LYS 4 2.313 15.569 -2.926 463 1HE LYS 4 1HE LYS 4 1.569 13.777 -1.568 464 2HE LYS 4 2HE LYS 4 -0.015 13.756 -2.341 465 1HZ LYS 4 1HZ LYS 4 2.553 13.040 -3.650 466 2HZ LYS 4 2HZ LYS 4 1.031 13.010 -4.387 467 3HZ LYS 4 3HZ LYS 4 1.378 11.944 -3.120 468 H VAL 5 H VAL 5 2.016 20.051 -0.904 469 HA VAL 5 HA VAL 5 2.196 22.014 -3.069 470 HB VAL 5 HB VAL 5 2.221 22.856 -0.170 471 1HG1 VAL 5 1HG1 VAL 5 3.496 24.143 -2.006 472 2HG1 VAL 5 2HG1 VAL 5 2.433 25.046 -0.925 473 3HG1 VAL 5 3HG1 VAL 5 1.895 24.640 -2.554 474 1HG2 VAL 5 1HG2 VAL 5 -0.019 22.226 -0.597 475 2HG2 VAL 5 2HG2 VAL 5 0.006 22.950 -2.204 476 3HG2 VAL 5 3HG2 VAL 5 0.036 23.980 -0.773 477 H ILE 6 H ILE 6 4.251 22.297 -3.694 478 HA ILE 6 HA ILE 6 6.372 21.208 -1.997 479 HB ILE 6 HB ILE 6 6.629 22.103 -4.862 480 1HG1 ILE 6 1HG1 ILE 6 6.135 19.284 -3.885 481 2HG1 ILE 6 2HG1 ILE 6 4.875 20.320 -4.547 482 1HG2 ILE 6 1HG2 ILE 6 8.574 20.595 -4.845 483 2HG2 ILE 6 2HG2 ILE 6 8.295 20.281 -3.132 484 3HG2 ILE 6 3HG2 ILE 6 8.725 21.903 -3.674 485 1HD1 ILE 6 1HD1 ILE 6 7.031 18.857 -5.903 486 2HD1 ILE 6 2HD1 ILE 6 6.694 20.474 -6.518 487 3HD1 ILE 6 3HD1 ILE 6 5.408 19.270 -6.455 488 H LEU 7 H LEU 7 7.727 22.509 -0.919 489 HA LEU 7 HA LEU 7 8.192 25.224 -1.928 490 1HB LEU 7 1HB LEU 7 7.103 24.416 0.710 491 2HB LEU 7 2HB LEU 7 8.332 25.667 0.729 492 HG LEU 7 HG LEU 7 6.753 26.710 -1.152 493 1HD1 LEU 7 1HD1 LEU 7 4.588 26.086 -1.134 494 2HD1 LEU 7 2HD1 LEU 7 4.600 25.695 0.586 495 3HD1 LEU 7 3HD1 LEU 7 5.261 24.552 -0.583 496 1HD2 LEU 7 1HD2 LEU 7 5.758 28.095 0.584 497 2HD2 LEU 7 2HD2 LEU 7 7.457 27.786 0.943 498 3HD2 LEU 7 3HD2 LEU 7 6.199 26.905 1.808 499 H ASN 8 H ASN 8 10.316 25.356 -2.342 500 HA ASN 8 HA ASN 8 12.169 23.637 -0.893 501 1HB ASN 8 1HB ASN 8 12.439 25.357 -3.356 502 2HB ASN 8 2HB ASN 8 13.826 24.592 -2.586 503 1HD2 ASN 8 1HD2 ASN 8 12.510 24.214 -5.233 504 2HD2 ASN 8 2HD2 ASN 8 12.193 22.518 -5.331 505 H GLY 9 H GLY 9 12.835 24.413 1.005 506 1HA GLY 9 1HA GLY 9 13.302 27.297 1.283 507 2HA GLY 9 2HA GLY 9 13.148 26.147 2.604 508 H LYS 10 H LYS 10 15.239 26.504 -0.270 509 HA LYS 10 HA LYS 10 17.581 26.776 1.368 510 1HB LYS 10 1HB LYS 10 18.687 24.747 0.273 511 2HB LYS 10 2HB LYS 10 17.545 24.439 1.573 512 1HG LYS 10 1HG LYS 10 15.935 23.605 0.138 513 2HG LYS 10 2HG LYS 10 16.632 24.407 -1.270 514 1HD LYS 10 1HD LYS 10 18.465 22.876 -1.325 515 2HD LYS 10 2HD LYS 10 18.006 22.186 0.232 516 1HE LYS 10 1HE LYS 10 16.048 21.199 -0.692 517 2HE LYS 10 2HE LYS 10 16.240 22.087 -2.203 518 1HZ LYS 10 1HZ LYS 10 17.016 19.590 -1.925 519 2HZ LYS 10 2HZ LYS 10 18.435 20.343 -1.394 520 3HZ LYS 10 3HZ LYS 10 17.830 20.674 -2.937 521 H THR 11 H THR 11 17.501 28.731 0.076 522 HA THR 11 HA THR 11 18.927 28.367 -2.451 523 HB THR 11 HB THR 11 16.805 30.464 -2.379 524 HG1 THR 11 HG1 THR 11 15.217 29.091 -2.686 525 1HG2 THR 11 1HG2 THR 11 16.827 29.049 -4.797 526 2HG2 THR 11 2HG2 THR 11 18.513 29.302 -4.347 527 3HG2 THR 11 3HG2 THR 11 17.422 30.680 -4.485 528 H LEU 12 H LEU 12 20.194 30.176 -3.080 529 HA LEU 12 HA LEU 12 20.854 31.928 -0.822 530 1HB LEU 12 1HB LEU 12 22.382 30.837 -3.134 531 2HB LEU 12 2HB LEU 12 22.875 32.387 -2.477 532 HG LEU 12 HG LEU 12 22.535 30.027 -0.661 533 1HD1 LEU 12 1HD1 LEU 12 24.889 30.633 -2.432 534 2HD1 LEU 12 2HD1 LEU 12 23.979 29.128 -2.307 535 3HD1 LEU 12 3HD1 LEU 12 25.006 29.651 -0.973 536 1HD2 LEU 12 1HD2 LEU 12 23.743 31.250 0.842 537 2HD2 LEU 12 2HD2 LEU 12 22.962 32.559 -0.046 538 3HD2 LEU 12 3HD2 LEU 12 24.631 32.119 -0.407 539 H LYS 13 H LYS 13 18.946 33.240 -1.320 540 HA LYS 13 HA LYS 13 19.409 35.065 -3.588 541 1HB LYS 13 1HB LYS 13 16.906 34.007 -2.340 542 2HB LYS 13 2HB LYS 13 16.878 35.598 -3.089 543 1HG LYS 13 1HG LYS 13 18.048 33.380 -4.662 544 2HG LYS 13 2HG LYS 13 16.300 33.376 -4.419 545 1HD LYS 13 1HD LYS 13 15.982 35.227 -5.696 546 2HD LYS 13 2HD LYS 13 17.523 35.946 -5.224 547 1HE LYS 13 1HE LYS 13 17.373 33.536 -7.009 548 2HE LYS 13 2HE LYS 13 17.262 35.175 -7.650 549 1HZ LYS 13 1HZ LYS 13 19.502 34.714 -7.801 550 2HZ LYS 13 2HZ LYS 13 19.548 33.847 -6.349 551 3HZ LYS 13 3HZ LYS 13 19.426 35.533 -6.322 552 H GLY 14 H GLY 14 20.730 36.528 -2.526 553 1HA GLY 14 1HA GLY 14 19.880 37.673 0.002 554 2HA GLY 14 2HA GLY 14 21.345 38.067 -0.882 555 H GLU 15 H GLU 15 21.269 40.225 -1.070 556 HA GLU 15 HA GLU 15 20.612 42.295 -1.736 557 1HB GLU 15 1HB GLU 15 19.018 40.560 -3.604 558 2HB GLU 15 2HB GLU 15 18.880 42.313 -3.651 559 1HG GLU 15 1HG GLU 15 21.443 42.292 -3.866 560 2HG GLU 15 2HG GLU 15 21.242 40.592 -4.290 561 H THR 16 H THR 16 19.359 41.133 0.541 562 HA THR 16 HA THR 16 17.560 41.310 1.931 563 HB THR 16 HB THR 16 18.528 43.585 1.898 564 HG1 THR 16 HG1 THR 16 17.019 43.771 3.336 565 1HG2 THR 16 1HG2 THR 16 17.205 45.370 0.749 566 2HG2 THR 16 2HG2 THR 16 16.439 44.094 -0.198 567 3HG2 THR 16 3HG2 THR 16 18.180 44.353 -0.312 568 H THR 17 H THR 17 16.875 40.046 -0.541 569 HA THR 17 HA THR 17 14.225 41.092 -1.188 570 HB THR 17 HB THR 17 15.629 38.696 -2.378 571 HG1 THR 17 HG1 THR 17 16.907 40.171 -3.158 572 1HG2 THR 17 1HG2 THR 17 14.200 39.225 -4.346 573 2HG2 THR 17 2HG2 THR 17 13.317 40.362 -3.327 574 3HG2 THR 17 3HG2 THR 17 13.320 38.643 -2.933 575 H THR 18 H THR 18 15.739 38.105 -0.011 576 HA THR 18 HA THR 18 14.929 36.319 1.137 577 HB THR 18 HB THR 18 13.507 36.788 2.997 578 HG1 THR 18 HG1 THR 18 11.919 38.126 2.838 579 1HG2 THR 18 1HG2 THR 18 14.918 38.118 4.065 580 2HG2 THR 18 2HG2 THR 18 14.542 39.486 3.015 581 3HG2 THR 18 3HG2 THR 18 15.759 38.307 2.526 582 H GLU 19 H GLU 19 12.584 35.340 1.888 583 HA GLU 19 HA GLU 19 10.740 34.218 1.190 584 1HB GLU 19 1HB GLU 19 10.525 36.775 -0.347 585 2HB GLU 19 2HB GLU 19 9.419 35.459 -0.718 586 1HG GLU 19 1HG GLU 19 8.343 35.607 1.289 587 2HG GLU 19 2HG GLU 19 9.754 36.259 2.122 588 H ALA 20 H ALA 20 10.887 32.373 0.139 589 HA ALA 20 HA ALA 20 11.106 32.166 -2.671 590 1HB ALA 20 1HB ALA 20 13.272 31.497 -3.053 591 2HB ALA 20 2HB ALA 20 13.534 31.013 -1.378 592 3HB ALA 20 3HB ALA 20 13.511 32.723 -1.807 593 H VAL 21 H VAL 21 9.210 31.141 -1.319 594 HA VAL 21 HA VAL 21 8.082 29.297 -0.540 595 HB VAL 21 HB VAL 21 8.588 27.179 -1.860 596 1HG1 VAL 21 1HG1 VAL 21 6.895 28.034 -3.017 597 2HG1 VAL 21 2HG1 VAL 21 8.077 28.801 -4.078 598 3HG1 VAL 21 3HG1 VAL 21 7.434 29.682 -2.692 599 1HG2 VAL 21 1HG2 VAL 21 10.952 27.740 -2.337 600 2HG2 VAL 21 2HG2 VAL 21 10.397 29.031 -3.403 601 3HG2 VAL 21 3HG2 VAL 21 10.026 27.351 -3.786 602 H ASP 22 H ASP 22 9.258 29.595 1.511 603 HA ASP 22 HA ASP 22 11.270 27.524 2.062 604 1HB ASP 22 1HB ASP 22 10.547 30.126 3.357 605 2HB ASP 22 2HB ASP 22 11.360 28.882 4.302 606 H ALA 23 H ALA 23 11.074 26.059 3.662 607 HA ALA 23 HA ALA 23 8.660 24.851 4.149 608 1HB ALA 23 1HB ALA 23 9.934 23.352 5.201 609 2HB ALA 23 2HB ALA 23 10.510 24.541 6.371 610 3HB ALA 23 3HB ALA 23 11.295 24.399 4.796 611 H ALA 24 H ALA 24 10.329 27.253 6.158 612 HA ALA 24 HA ALA 24 8.438 27.252 8.268 613 1HB ALA 24 1HB ALA 24 10.748 28.083 8.499 614 2HB ALA 24 2HB ALA 24 9.547 29.257 9.037 615 3HB ALA 24 3HB ALA 24 10.336 29.456 7.472 616 H THR 25 H THR 25 8.605 28.902 5.202 617 HA THR 25 HA THR 25 6.799 30.995 5.705 618 HB THR 25 HB THR 25 7.451 29.535 3.138 619 HG1 THR 25 HG1 THR 25 8.415 31.942 4.279 620 1HG2 THR 25 1HG2 THR 25 5.717 30.629 2.265 621 2HG2 THR 25 2HG2 THR 25 6.784 32.033 2.361 622 3HG2 THR 25 3HG2 THR 25 5.597 31.741 3.632 623 H PHE 26 H PHE 26 6.324 27.681 4.644 624 HA PHE 26 HA PHE 26 3.541 27.905 4.116 625 1HB PHE 26 1HB PHE 26 5.182 26.053 3.371 626 2HB PHE 26 2HB PHE 26 4.883 25.346 4.955 627 HD1 PHE 26 HD1 PHE 26 3.219 26.448 1.838 628 HD2 PHE 26 HD2 PHE 26 2.968 24.061 5.352 629 HE1 PHE 26 HE1 PHE 26 1.180 25.386 0.965 630 HE2 PHE 26 HE2 PHE 26 0.927 22.992 4.484 631 HZ PHE 26 HZ PHE 26 0.031 23.655 2.288 632 H GLU 27 H GLU 27 5.404 26.858 6.924 633 HA GLU 27 HA GLU 27 3.320 25.995 8.551 634 1HB GLU 27 1HB GLU 27 5.700 25.599 9.019 635 2HB GLU 27 2HB GLU 27 5.913 27.307 9.376 636 1HG GLU 27 1HG GLU 27 3.836 26.558 11.026 637 2HG GLU 27 2HG GLU 27 4.914 25.163 11.050 638 H LYS 28 H LYS 28 4.883 29.208 8.552 639 HA LYS 28 HA LYS 28 3.133 30.296 10.481 640 1HB LYS 28 1HB LYS 28 5.445 31.125 9.817 641 2HB LYS 28 2HB LYS 28 4.664 31.896 8.443 642 1HG LYS 28 1HG LYS 28 3.292 33.226 9.932 643 2HG LYS 28 2HG LYS 28 3.991 32.411 11.333 644 1HD LYS 28 1HD LYS 28 5.680 33.902 9.343 645 2HD LYS 28 2HD LYS 28 4.932 34.704 10.726 646 1HE LYS 28 1HE LYS 28 6.045 32.802 12.099 647 2HE LYS 28 2HE LYS 28 7.069 32.610 10.676 648 1HZ LYS 28 1HZ LYS 28 7.576 35.029 10.879 649 2HZ LYS 28 2HZ LYS 28 8.161 34.083 12.153 650 3HZ LYS 28 3HZ LYS 28 6.774 35.027 12.368 651 H VAL 29 H VAL 29 3.146 30.608 6.913 652 HA VAL 29 HA VAL 29 0.985 32.397 6.778 653 HB VAL 29 HB VAL 29 1.864 30.383 4.709 654 1HG1 VAL 29 1HG1 VAL 29 -0.398 31.298 4.327 655 2HG1 VAL 29 2HG1 VAL 29 0.758 31.808 3.095 656 3HG1 VAL 29 3HG1 VAL 29 0.278 32.928 4.370 657 1HG2 VAL 29 1HG2 VAL 29 3.437 32.294 5.720 658 2HG2 VAL 29 2HG2 VAL 29 2.586 33.244 4.503 659 3HG2 VAL 29 3HG2 VAL 29 3.489 31.807 4.027 660 H VAL 30 H VAL 30 1.085 28.860 6.638 661 HA VAL 30 HA VAL 30 -1.703 28.595 6.117 662 HB VAL 30 HB VAL 30 0.203 26.506 7.180 663 1HG1 VAL 30 1HG1 VAL 30 -1.398 24.880 6.431 664 2HG1 VAL 30 2HG1 VAL 30 -2.427 26.140 5.750 665 3HG1 VAL 30 3HG1 VAL 30 -2.222 26.019 7.497 666 1HG2 VAL 30 1HG2 VAL 30 -0.687 26.661 4.338 667 2HG2 VAL 30 2HG2 VAL 30 0.786 25.973 5.022 668 3HG2 VAL 30 3HG2 VAL 30 0.610 27.722 4.889 669 H LYS 31 H LYS 31 0.235 28.314 9.123 670 HA LYS 31 HA LYS 31 -1.903 27.488 10.742 671 1HB LYS 31 1HB LYS 31 0.487 27.327 11.370 672 2HB LYS 31 2HB LYS 31 0.555 29.078 11.505 673 1HG LYS 31 1HG LYS 31 -0.648 29.114 13.456 674 2HG LYS 31 2HG LYS 31 -1.461 27.587 13.109 675 1HD LYS 31 1HD LYS 31 1.496 27.667 13.582 676 2HD LYS 31 2HD LYS 31 0.371 27.655 14.942 677 1HE LYS 31 1HE LYS 31 -0.686 25.633 13.662 678 2HE LYS 31 2HE LYS 31 0.897 25.550 12.889 679 1HZ LYS 31 1HZ LYS 31 0.363 25.412 15.809 680 2HZ LYS 31 2HZ LYS 31 1.901 25.403 15.103 681 3HZ LYS 31 3HZ LYS 31 0.831 24.125 14.814 682 H GLN 32 H GLN 32 -0.581 30.701 10.041 683 HA GLN 32 HA GLN 32 -2.326 32.130 11.732 684 1HB GLN 32 1HB GLN 32 -0.206 33.033 10.797 685 2HB GLN 32 2HB GLN 32 -0.967 33.106 9.213 686 1HG GLN 32 1HG GLN 32 -1.033 35.285 10.141 687 2HG GLN 32 2HG GLN 32 -2.674 34.640 10.187 688 1HE2 GLN 32 1HE2 GLN 32 -3.226 36.114 11.816 689 2HE2 GLN 32 2HE2 GLN 32 -2.714 35.891 13.451 690 H PHE 33 H PHE 33 -2.535 31.314 8.254 691 HA PHE 33 HA PHE 33 -4.928 32.734 7.807 692 1HB PHE 33 1HB PHE 33 -3.707 32.382 5.896 693 2HB PHE 33 2HB PHE 33 -3.280 30.737 6.336 694 HD1 PHE 33 HD1 PHE 33 -6.477 32.589 5.660 695 HD2 PHE 33 HD2 PHE 33 -4.037 29.186 4.906 696 HE1 PHE 33 HE1 PHE 33 -8.177 31.716 4.102 697 HE2 PHE 33 HE2 PHE 33 -5.732 28.304 3.357 698 HZ PHE 33 HZ PHE 33 -7.803 29.562 2.954 699 H PHE 34 H PHE 34 -4.320 29.273 8.432 700 HA PHE 34 HA PHE 34 -7.103 28.651 8.286 701 1HB PHE 34 1HB PHE 34 -4.652 27.095 8.982 702 2HB PHE 34 2HB PHE 34 -6.243 26.427 9.351 703 HD1 PHE 34 HD1 PHE 34 -4.023 27.567 6.643 704 HD2 PHE 34 HD2 PHE 34 -7.710 25.685 7.629 705 HE1 PHE 34 HE1 PHE 34 -4.305 26.894 4.293 706 HE2 PHE 34 HE2 PHE 34 -7.997 25.004 5.284 707 HZ PHE 34 HZ PHE 34 -6.301 25.618 3.608 708 H ASN 35 H ASN 35 -4.941 29.482 10.926 709 HA ASN 35 HA ASN 35 -6.516 28.593 13.068 710 1HB ASN 35 1HB ASN 35 -4.515 30.812 12.783 711 2HB ASN 35 2HB ASN 35 -5.450 30.665 14.267 712 1HD2 ASN 35 1HD2 ASN 35 -4.519 27.860 12.402 713 2HD2 ASN 35 2HD2 ASN 35 -3.354 27.266 13.526 714 H ASP 36 H ASP 36 -6.847 31.341 10.974 715 HA ASP 36 HA ASP 36 -8.618 32.905 12.481 716 1HB ASP 36 1HB ASP 36 -8.176 32.645 9.510 717 2HB ASP 36 2HB ASP 36 -9.313 33.799 10.199 718 H ASN 37 H ASN 37 -9.112 29.909 10.925 719 HA ASN 37 HA ASN 37 -12.028 30.305 10.954 720 1HB ASN 37 1HB ASN 37 -12.223 28.410 9.455 721 2HB ASN 37 2HB ASN 37 -11.089 29.583 8.795 722 1HD2 ASN 37 1HD2 ASN 37 -9.409 28.686 7.892 723 2HD2 ASN 37 2HD2 ASN 37 -8.632 27.227 8.391 724 H GLY 38 H GLY 38 -9.475 28.571 12.517 725 1HA GLY 38 1HA GLY 38 -10.339 27.830 14.789 726 2HA GLY 38 2HA GLY 38 -11.494 26.887 13.867 727 H VAL 39 H VAL 39 -8.393 27.024 12.426 728 HA VAL 39 HA VAL 39 -7.969 24.229 13.113 729 HB VAL 39 HB VAL 39 -6.302 25.958 11.282 730 1HG1 VAL 39 1HG1 VAL 39 -5.026 24.080 11.792 731 2HG1 VAL 39 2HG1 VAL 39 -5.844 23.615 10.301 732 3HG1 VAL 39 3HG1 VAL 39 -6.433 23.019 11.852 733 1HG2 VAL 39 1HG2 VAL 39 -8.140 26.001 9.997 734 2HG2 VAL 39 2HG2 VAL 39 -8.923 24.705 10.901 735 3HG2 VAL 39 3HG2 VAL 39 -7.740 24.319 9.650 736 H ASP 40 H ASP 40 -6.184 23.419 14.206 737 HA ASP 40 HA ASP 40 -4.071 25.169 15.078 738 1HB ASP 40 1HB ASP 40 -6.212 24.234 16.962 739 2HB ASP 40 2HB ASP 40 -4.571 24.495 17.543 740 H GLY 41 H GLY 41 -2.778 23.863 16.891 741 1HA GLY 41 1HA GLY 41 -2.230 21.543 17.572 742 2HA GLY 41 2HA GLY 41 -2.548 21.082 15.907 743 H GLU 42 H GLU 42 -0.526 20.240 15.471 744 HA GLU 42 HA GLU 42 1.558 22.227 15.043 745 1HB GLU 42 1HB GLU 42 1.986 19.737 16.702 746 2HB GLU 42 2HB GLU 42 3.274 20.777 16.113 747 1HG GLU 42 1HG GLU 42 2.015 22.653 17.360 748 2HG GLU 42 2HG GLU 42 1.212 21.328 18.202 749 H TRP 43 H TRP 43 3.212 21.530 13.588 750 HA TRP 43 HA TRP 43 2.221 19.808 11.532 751 1HB TRP 43 1HB TRP 43 4.881 21.204 11.861 752 2HB TRP 43 2HB TRP 43 4.395 20.319 10.417 753 HD1 TRP 43 HD1 TRP 43 3.676 23.550 12.335 754 HE1 TRP 43 HE1 TRP 43 2.377 25.152 10.794 755 HE3 TRP 43 HE3 TRP 43 2.817 20.385 8.413 756 HZ2 TRP 43 HZ2 TRP 43 1.151 25.081 8.252 757 HZ3 TRP 43 HZ3 TRP 43 1.573 21.229 6.465 758 HH2 TRP 43 HH2 TRP 43 0.758 23.530 6.389 759 H THR 44 H THR 44 2.354 17.713 11.477 760 HA THR 44 HA THR 44 4.531 16.392 12.948 761 HB THR 44 HB THR 44 3.073 14.421 13.052 762 HG1 THR 44 HG1 THR 44 1.786 14.533 11.311 763 1HG2 THR 44 1HG2 THR 44 1.346 15.223 14.536 764 2HG2 THR 44 2HG2 THR 44 1.593 16.874 13.967 765 3HG2 THR 44 3HG2 THR 44 2.868 16.050 14.865 766 H TYR 45 H TYR 45 5.767 14.888 11.954 767 HA TYR 45 HA TYR 45 6.026 15.056 9.121 768 1HB TYR 45 1HB TYR 45 7.398 13.456 11.259 769 2HB TYR 45 2HB TYR 45 7.679 13.086 9.561 770 HD1 TYR 45 HD1 TYR 45 8.394 15.365 12.284 771 HD2 TYR 45 HD2 TYR 45 8.694 14.808 8.077 772 HE1 TYR 45 HE1 TYR 45 10.077 17.155 12.172 773 HE2 TYR 45 HE2 TYR 45 10.377 16.595 7.954 774 HH TYR 45 HH TYR 45 10.838 18.838 10.073 775 H ASP 46 H ASP 46 5.487 13.600 7.541 776 HA ASP 46 HA ASP 46 3.258 11.910 8.061 777 1HB ASP 46 1HB ASP 46 4.983 12.058 5.578 778 2HB ASP 46 2HB ASP 46 3.375 11.348 5.688 779 H ASP 47 H ASP 47 3.158 9.607 7.484 780 HA ASP 47 HA ASP 47 5.108 8.107 8.870 781 1HB ASP 47 1HB ASP 47 2.891 7.247 7.003 782 2HB ASP 47 2HB ASP 47 3.880 6.121 7.929 783 H ALA 48 H ALA 48 6.977 7.259 8.222 784 HA ALA 48 HA ALA 48 8.176 7.851 5.798 785 1HB ALA 48 1HB ALA 48 8.989 5.386 7.262 786 2HB ALA 48 2HB ALA 48 9.148 6.953 8.054 787 3HB ALA 48 3HB ALA 48 9.985 6.645 6.533 788 H THR 49 H THR 49 8.526 6.768 3.905 789 HA THR 49 HA THR 49 7.210 4.189 3.480 790 HB THR 49 HB THR 49 6.851 6.468 1.534 791 HG1 THR 49 HG1 THR 49 5.068 7.033 2.531 792 1HG2 THR 49 1HG2 THR 49 5.106 5.156 0.578 793 2HG2 THR 49 2HG2 THR 49 5.262 3.936 1.842 794 3HG2 THR 49 3HG2 THR 49 6.560 4.162 0.669 795 H LYS 50 H LYS 50 7.991 3.064 1.566 796 HA LYS 50 HA LYS 50 10.618 4.063 0.676 797 1HB LYS 50 1HB LYS 50 9.778 1.381 1.657 798 2HB LYS 50 2HB LYS 50 10.978 1.444 0.373 799 1HG LYS 50 1HG LYS 50 12.429 2.803 1.753 800 2HG LYS 50 2HG LYS 50 11.212 2.841 3.030 801 1HD LYS 50 1HD LYS 50 11.974 0.155 2.102 802 2HD LYS 50 2HD LYS 50 13.254 1.062 2.912 803 1HE LYS 50 1HE LYS 50 11.306 1.551 4.637 804 2HE LYS 50 2HE LYS 50 10.671 0.045 3.975 805 1HZ LYS 50 1HZ LYS 50 12.012 -0.441 5.876 806 2HZ LYS 50 2HZ LYS 50 13.317 0.442 5.262 807 3HZ LYS 50 3HZ LYS 50 12.834 -0.990 4.503 808 H THR 51 H THR 51 10.806 4.380 -1.419 809 HA THR 51 HA THR 51 8.877 3.100 -3.233 810 HB THR 51 HB THR 51 10.467 5.661 -3.496 811 HG1 THR 51 HG1 THR 51 8.423 6.595 -3.465 812 1HG2 THR 51 1HG2 THR 51 9.446 6.066 -5.602 813 2HG2 THR 51 2HG2 THR 51 8.485 4.592 -5.487 814 3HG2 THR 51 3HG2 THR 51 10.234 4.490 -5.689 815 H PHE 52 H PHE 52 9.579 1.723 -4.770 816 HA PHE 52 HA PHE 52 12.364 0.976 -4.784 817 1HB PHE 52 1HB PHE 52 10.513 -0.696 -4.909 818 2HB PHE 52 2HB PHE 52 10.121 -0.083 -6.512 819 HD1 PHE 52 HD1 PHE 52 12.648 -1.867 -4.519 820 HD2 PHE 52 HD2 PHE 52 11.404 -0.689 -8.415 821 HE1 PHE 52 HE1 PHE 52 14.286 -3.416 -5.505 822 HE2 PHE 52 HE2 PHE 52 13.040 -2.236 -9.408 823 HZ PHE 52 HZ PHE 52 14.482 -3.603 -7.953 824 H THR 53 H THR 53 13.852 1.867 -6.039 825 HA THR 53 HA THR 53 13.021 3.392 -8.390 826 HB THR 53 HB THR 53 15.711 3.197 -7.020 827 HG1 THR 53 HG1 THR 53 13.705 5.196 -6.966 828 1HG2 THR 53 1HG2 THR 53 14.807 4.710 -9.413 829 2HG2 THR 53 2HG2 THR 53 16.350 3.918 -9.090 830 3HG2 THR 53 3HG2 THR 53 15.966 5.452 -8.309 831 H VAL 54 H VAL 54 13.184 2.572 -10.380 832 HA VAL 54 HA VAL 54 14.225 -0.040 -10.818 833 HB VAL 54 HB VAL 54 13.598 1.935 -12.998 834 1HG1 VAL 54 1HG1 VAL 54 14.458 0.057 -14.008 835 2HG1 VAL 54 2HG1 VAL 54 12.738 -0.327 -13.982 836 3HG1 VAL 54 3HG1 VAL 54 13.816 -1.031 -12.777 837 1HG2 VAL 54 1HG2 VAL 54 11.730 0.427 -11.208 838 2HG2 VAL 54 2HG2 VAL 54 11.275 0.799 -12.871 839 3HG2 VAL 54 3HG2 VAL 54 11.649 2.106 -11.747 840 H THR 55 H THR 55 15.907 -0.631 -12.299 841 HA THR 55 HA THR 55 17.885 1.381 -12.979 842 HB THR 55 HB THR 55 18.590 -0.981 -11.234 843 HG1 THR 55 HG1 THR 55 18.456 1.788 -10.643 844 1HG2 THR 55 1HG2 THR 55 20.363 1.331 -11.938 845 2HG2 THR 55 2HG2 THR 55 20.354 -0.177 -12.853 846 3HG2 THR 55 3HG2 THR 55 20.792 -0.185 -11.145 847 H GLU 56 H GLU 56 17.812 -2.152 -12.653 848 HA GLU 56 HA GLU 56 18.188 -3.835 -14.136 849 1HB GLU 56 1HB GLU 56 16.999 -1.739 -15.938 850 2HB GLU 56 2HB GLU 56 17.507 -3.302 -16.564 851 1HG GLU 56 1HG GLU 56 15.913 -4.453 -15.276 852 2HG GLU 56 2HG GLU 56 15.593 -3.043 -14.269 853 1H MET 1 1H MET 1 5.752 -0.500 9.056 854 2H MET 1 2H MET 1 4.837 -1.385 7.905 855 3H MET 1 3H MET 1 4.331 0.183 8.385 856 HA MET 1 HA MET 1 6.236 1.154 7.403 857 1HB MET 1 1HB MET 1 7.709 -0.798 7.869 858 2HB MET 1 2HB MET 1 6.914 -1.674 6.567 859 1HG MET 1 1HG MET 1 8.917 -0.862 5.663 860 2HG MET 1 2HG MET 1 7.650 0.188 5.033 861 1HE MET 1 1HE MET 1 7.537 2.352 5.054 862 2HE MET 1 2HE MET 1 8.623 3.534 5.783 863 3HE MET 1 3HE MET 1 7.269 2.890 6.712 864 H GLN 2 H GLN 2 5.487 2.186 5.675 865 HA GLN 2 HA GLN 2 3.521 0.881 3.969 866 1HB GLN 2 1HB GLN 2 3.309 3.253 4.943 867 2HB GLN 2 2HB GLN 2 4.476 3.727 3.716 868 1HG GLN 2 1HG GLN 2 3.002 3.139 1.958 869 2HG GLN 2 2HG GLN 2 1.896 2.332 3.069 870 1HE2 GLN 2 1HE2 GLN 2 2.743 5.248 1.557 871 2HE2 GLN 2 2HE2 GLN 2 1.587 6.268 2.336 872 H TYR 3 H TYR 3 4.037 -0.026 2.088 873 HA TYR 3 HA TYR 3 6.599 0.721 0.856 874 1HB TYR 3 1HB TYR 3 5.109 -1.871 0.985 875 2HB TYR 3 2HB TYR 3 6.237 -1.571 -0.332 876 HD1 TYR 3 HD1 TYR 3 5.905 -2.120 3.279 877 HD2 TYR 3 HD2 TYR 3 8.619 -1.435 0.075 878 HE1 TYR 3 HE1 TYR 3 7.777 -2.797 4.725 879 HE2 TYR 3 HE2 TYR 3 10.497 -2.110 1.511 880 HH TYR 3 HH TYR 3 10.975 -2.190 3.996 881 H LYS 4 H LYS 4 6.729 1.394 -1.133 882 HA LYS 4 HA LYS 4 4.238 1.713 -2.674 883 1HB LYS 4 1HB LYS 4 6.721 3.346 -2.427 884 2HB LYS 4 2HB LYS 4 5.851 3.387 -3.956 885 1HG LYS 4 1HG LYS 4 3.782 3.915 -2.537 886 2HG LYS 4 2HG LYS 4 4.932 4.275 -1.249 887 1HD LYS 4 1HD LYS 4 6.083 5.810 -2.925 888 2HD LYS 4 2HD LYS 4 4.638 5.622 -3.921 889 1HE LYS 4 1HE LYS 4 3.261 6.615 -2.271 890 2HE LYS 4 2HE LYS 4 4.533 6.521 -1.052 891 1HZ LYS 4 1HZ LYS 4 4.590 8.228 -3.482 892 2HZ LYS 4 2HZ LYS 4 5.810 8.138 -2.314 893 3HZ LYS 4 3HZ LYS 4 4.294 8.764 -1.905 894 H VAL 5 H VAL 5 4.005 0.791 -4.626 895 HA VAL 5 HA VAL 5 6.363 -0.217 -6.038 896 HB VAL 5 HB VAL 5 3.947 -1.965 -5.561 897 1HG1 VAL 5 1HG1 VAL 5 5.451 -2.204 -7.644 898 2HG1 VAL 5 2HG1 VAL 5 5.081 -3.647 -6.699 899 3HG1 VAL 5 3HG1 VAL 5 6.644 -2.850 -6.519 900 1HG2 VAL 5 1HG2 VAL 5 4.989 -1.782 -3.446 901 2HG2 VAL 5 2HG2 VAL 5 6.603 -1.887 -4.149 902 3HG2 VAL 5 3HG2 VAL 5 5.552 -3.303 -4.136 903 H ILE 6 H ILE 6 6.253 0.226 -8.155 904 HA ILE 6 HA ILE 6 3.698 1.151 -9.243 905 HB ILE 6 HB ILE 6 6.405 1.368 -10.548 906 1HG1 ILE 6 1HG1 ILE 6 5.022 3.482 -8.888 907 2HG1 ILE 6 2HG1 ILE 6 6.324 2.463 -8.282 908 1HG2 ILE 6 1HG2 ILE 6 5.328 3.199 -11.791 909 2HG2 ILE 6 2HG2 ILE 6 3.808 2.837 -10.972 910 3HG2 ILE 6 3HG2 ILE 6 4.532 1.646 -12.053 911 1HD1 ILE 6 1HD1 ILE 6 6.413 4.773 -10.092 912 2HD1 ILE 6 2HD1 ILE 6 7.476 3.429 -10.510 913 3HD1 ILE 6 3HD1 ILE 6 7.599 4.191 -8.925 914 H LEU 7 H LEU 7 2.553 -0.075 -10.611 915 HA LEU 7 HA LEU 7 3.947 -2.091 -12.221 916 1HB LEU 7 1HB LEU 7 1.768 -2.513 -10.254 917 2HB LEU 7 2HB LEU 7 1.610 -3.361 -11.779 918 HG LEU 7 HG LEU 7 4.125 -4.051 -11.219 919 1HD1 LEU 7 1HD1 LEU 7 4.743 -4.003 -9.052 920 2HD1 LEU 7 2HD1 LEU 7 3.097 -4.235 -8.463 921 3HD1 LEU 7 3HD1 LEU 7 3.629 -2.637 -8.989 922 1HD2 LEU 7 1HD2 LEU 7 3.257 -6.138 -10.324 923 2HD2 LEU 7 2HD2 LEU 7 2.237 -5.569 -11.646 924 3HD2 LEU 7 3HD2 LEU 7 1.709 -5.365 -9.976 925 H ASN 8 H ASN 8 3.588 -1.565 -14.292 926 HA ASN 8 HA ASN 8 1.209 -0.036 -14.986 927 1HB ASN 8 1HB ASN 8 3.744 -0.709 -16.472 928 2HB ASN 8 2HB ASN 8 2.369 0.054 -17.264 929 1HD2 ASN 8 1HD2 ASN 8 5.130 0.987 -16.665 930 2HD2 ASN 8 2HD2 ASN 8 4.922 2.489 -15.836 931 H GLY 9 H GLY 9 -0.574 -1.120 -15.466 932 1HA GLY 9 1HA GLY 9 -0.506 -3.851 -16.367 933 2HA GLY 9 2HA GLY 9 -1.940 -2.865 -16.132 934 H LYS 10 H LYS 10 0.746 -3.492 -18.340 935 HA LYS 10 HA LYS 10 -0.495 -2.042 -20.500 936 1HB LYS 10 1HB LYS 10 2.046 -2.476 -20.042 937 2HB LYS 10 2HB LYS 10 1.749 -3.991 -20.885 938 1HG LYS 10 1HG LYS 10 2.361 -2.739 -22.662 939 2HG LYS 10 2HG LYS 10 0.645 -2.330 -22.647 940 1HD LYS 10 1HD LYS 10 1.016 -0.225 -21.800 941 2HD LYS 10 2HD LYS 10 2.529 -0.690 -21.022 942 1HE LYS 10 1HE LYS 10 3.760 -0.338 -22.896 943 2HE LYS 10 2HE LYS 10 2.457 -0.836 -23.974 944 1HZ LYS 10 1HZ LYS 10 3.204 1.660 -23.782 945 2HZ LYS 10 2HZ LYS 10 2.121 1.659 -22.485 946 3HZ LYS 10 3HZ LYS 10 1.582 1.246 -24.034 947 H THR 11 H THR 11 -1.448 -2.889 -22.334 948 HA THR 11 HA THR 11 -1.708 -5.727 -22.720 949 HB THR 11 HB THR 11 -3.414 -5.325 -20.985 950 HG1 THR 11 HG1 THR 11 -4.383 -5.902 -23.582 951 1HG2 THR 11 1HG2 THR 11 -3.878 -2.920 -22.074 952 2HG2 THR 11 2HG2 THR 11 -5.032 -3.773 -21.049 953 3HG2 THR 11 3HG2 THR 11 -5.188 -3.847 -22.804 954 H LEU 12 H LEU 12 -1.232 -5.754 -24.822 955 HA LEU 12 HA LEU 12 -2.928 -4.224 -26.644 956 1HB LEU 12 1HB LEU 12 0.074 -4.110 -26.550 957 2HB LEU 12 2HB LEU 12 -0.816 -3.740 -28.014 958 HG LEU 12 HG LEU 12 -1.296 -2.298 -25.413 959 1HD1 LEU 12 1HD1 LEU 12 1.088 -2.146 -26.377 960 2HD1 LEU 12 2HD1 LEU 12 0.237 -0.652 -25.989 961 3HD1 LEU 12 3HD1 LEU 12 0.344 -1.196 -27.662 962 1HD2 LEU 12 1HD2 LEU 12 -2.005 -1.719 -28.285 963 2HD2 LEU 12 2HD2 LEU 12 -2.224 -0.582 -26.954 964 3HD2 LEU 12 3HD2 LEU 12 -3.113 -2.105 -26.968 965 H LYS 13 H LYS 13 -2.754 -4.984 -28.897 966 HA LYS 13 HA LYS 13 -2.759 -7.845 -28.981 967 1HB LYS 13 1HB LYS 13 -3.328 -5.652 -30.930 968 2HB LYS 13 2HB LYS 13 -3.054 -7.277 -31.541 969 1HG LYS 13 1HG LYS 13 -5.301 -7.372 -31.291 970 2HG LYS 13 2HG LYS 13 -4.834 -7.870 -29.664 971 1HD LYS 13 1HD LYS 13 -6.462 -6.236 -29.301 972 2HD LYS 13 2HD LYS 13 -4.940 -5.368 -29.088 973 1HE LYS 13 1HE LYS 13 -5.276 -4.956 -31.697 974 2HE LYS 13 2HE LYS 13 -6.967 -5.164 -31.244 975 1HZ LYS 13 1HZ LYS 13 -5.057 -3.151 -30.201 976 2HZ LYS 13 2HZ LYS 13 -6.566 -3.444 -29.496 977 3HZ LYS 13 3HZ LYS 13 -6.471 -2.872 -31.085 978 H GLY 14 H GLY 14 -0.907 -8.943 -28.989 979 1HA GLY 14 1HA GLY 14 0.850 -9.094 -31.076 980 2HA GLY 14 2HA GLY 14 1.532 -7.847 -30.042 981 H GLU 15 H GLU 15 1.023 -8.787 -27.538 982 HA GLU 15 HA GLU 15 1.858 -10.158 -25.931 983 1HB GLU 15 1HB GLU 15 1.340 -12.208 -28.086 984 2HB GLU 15 2HB GLU 15 1.850 -12.627 -26.458 985 1HG GLU 15 1HG GLU 15 -0.482 -10.854 -26.609 986 2HG GLU 15 2HG GLU 15 -0.721 -12.470 -27.270 987 H THR 16 H THR 16 3.718 -8.789 -27.613 988 HA THR 16 HA THR 16 5.932 -10.707 -27.823 989 HB THR 16 HB THR 16 5.853 -7.879 -28.881 990 HG1 THR 16 HG1 THR 16 5.204 -10.306 -30.196 991 1HG2 THR 16 1HG2 THR 16 7.434 -9.919 -30.255 992 2HG2 THR 16 2HG2 THR 16 8.007 -9.503 -28.640 993 3HG2 THR 16 3HG2 THR 16 7.824 -8.244 -29.862 994 H THR 17 H THR 17 6.471 -10.820 -25.637 995 HA THR 17 HA THR 17 7.537 -10.248 -23.714 996 HB THR 17 HB THR 17 9.457 -8.896 -23.884 997 HG1 THR 17 HG1 THR 17 9.681 -7.272 -25.405 998 1HG2 THR 17 1HG2 THR 17 9.502 -9.350 -26.756 999 2HG2 THR 17 2HG2 THR 17 9.032 -10.771 -25.823 1000 3HG2 THR 17 3HG2 THR 17 10.564 -9.962 -25.488 1001 H THR 18 H THR 18 8.170 -8.083 -22.363 1002 HA THR 18 HA THR 18 7.297 -6.491 -20.994 1003 HB THR 18 HB THR 18 6.332 -4.570 -22.043 1004 HG1 THR 18 HG1 THR 18 5.081 -4.700 -23.721 1005 1HG2 THR 18 1HG2 THR 18 8.105 -5.772 -24.149 1006 2HG2 THR 18 2HG2 THR 18 8.700 -5.056 -22.651 1007 3HG2 THR 18 3HG2 THR 18 7.823 -4.063 -23.816 1008 H GLU 19 H GLU 19 6.059 -8.069 -19.826 1009 HA GLU 19 HA GLU 19 3.354 -7.374 -19.515 1010 1HB GLU 19 1HB GLU 19 2.373 -9.604 -20.210 1011 2HB GLU 19 2HB GLU 19 2.852 -8.533 -21.520 1012 1HG GLU 19 1HG GLU 19 5.061 -9.846 -21.504 1013 2HG GLU 19 2HG GLU 19 4.168 -11.044 -20.566 1014 H ALA 20 H ALA 20 3.608 -7.397 -17.339 1015 HA ALA 20 HA ALA 20 3.455 -9.828 -15.941 1016 1HB ALA 20 1HB ALA 20 5.953 -9.644 -16.705 1017 2HB ALA 20 2HB ALA 20 5.545 -10.221 -15.090 1018 3HB ALA 20 3HB ALA 20 6.073 -8.555 -15.323 1019 H VAL 21 H VAL 21 4.572 -6.477 -15.705 1020 HA VAL 21 HA VAL 21 3.700 -6.246 -12.969 1021 HB VAL 21 HB VAL 21 4.245 -3.804 -13.265 1022 1HG1 VAL 21 1HG1 VAL 21 6.094 -4.603 -12.318 1023 2HG1 VAL 21 2HG1 VAL 21 6.795 -4.650 -13.936 1024 3HG1 VAL 21 3HG1 VAL 21 6.027 -6.089 -13.266 1025 1HG2 VAL 21 1HG2 VAL 21 3.880 -3.804 -15.743 1026 2HG2 VAL 21 2HG2 VAL 21 5.399 -4.684 -15.906 1027 3HG2 VAL 21 3HG2 VAL 21 5.391 -3.059 -15.223 1028 H ASP 22 H ASP 22 1.493 -7.004 -13.668 1029 HA ASP 22 HA ASP 22 -0.183 -4.812 -14.685 1030 1HB ASP 22 1HB ASP 22 -0.492 -7.789 -14.569 1031 2HB ASP 22 2HB ASP 22 -1.930 -6.772 -14.636 1032 H ALA 23 H ALA 23 -1.927 -4.059 -13.594 1033 HA ALA 23 HA ALA 23 -1.788 -3.699 -10.878 1034 1HB ALA 23 1HB ALA 23 -3.554 -2.385 -11.240 1035 2HB ALA 23 2HB ALA 23 -4.531 -3.726 -11.839 1036 3HB ALA 23 3HB ALA 23 -3.428 -2.882 -12.929 1037 H ALA 24 H ALA 24 -3.616 -6.170 -12.648 1038 HA ALA 24 HA ALA 24 -4.838 -7.335 -10.371 1039 1HB ALA 24 1HB ALA 24 -5.674 -7.615 -12.676 1040 2HB ALA 24 2HB ALA 24 -5.450 -9.151 -11.840 1041 3HB ALA 24 3HB ALA 24 -4.272 -8.620 -13.040 1042 H THR 25 H THR 25 -1.738 -7.756 -11.911 1043 HA THR 25 HA THR 25 -1.033 -10.263 -10.853 1044 HB THR 25 HB THR 25 0.692 -7.907 -11.644 1045 HG1 THR 25 HG1 THR 25 -0.105 -10.253 -13.016 1046 1HG2 THR 25 1HG2 THR 25 2.367 -9.020 -10.686 1047 2HG2 THR 25 2HG2 THR 25 2.236 -10.075 -12.096 1048 3HG2 THR 25 3HG2 THR 25 1.448 -10.525 -10.583 1049 H PHE 26 H PHE 26 -0.704 -7.001 -9.592 1050 HA PHE 26 HA PHE 26 0.831 -7.692 -7.302 1051 1HB PHE 26 1HB PHE 26 0.463 -5.362 -8.358 1052 2HB PHE 26 2HB PHE 26 -1.026 -5.327 -7.420 1053 HD1 PHE 26 HD1 PHE 26 2.647 -5.672 -7.137 1054 HD2 PHE 26 HD2 PHE 26 -1.002 -4.751 -5.152 1055 HE1 PHE 26 HE1 PHE 26 3.916 -4.896 -5.177 1056 HE2 PHE 26 HE2 PHE 26 0.260 -3.972 -3.187 1057 HZ PHE 26 HZ PHE 26 2.722 -4.043 -3.199 1058 H GLU 27 H GLU 27 -2.625 -7.246 -7.867 1059 HA GLU 27 HA GLU 27 -3.544 -7.513 -5.256 1060 1HB GLU 27 1HB GLU 27 -4.921 -6.740 -7.140 1061 2HB GLU 27 2HB GLU 27 -4.910 -8.365 -7.812 1062 1HG GLU 27 1HG GLU 27 -5.825 -8.736 -5.238 1063 2HG GLU 27 2HG GLU 27 -6.572 -7.219 -5.735 1064 H LYS 28 H LYS 28 -3.337 -10.060 -7.751 1065 HA LYS 28 HA LYS 28 -4.180 -12.125 -6.022 1066 1HB LYS 28 1HB LYS 28 -4.211 -12.094 -8.569 1067 2HB LYS 28 2HB LYS 28 -2.509 -12.529 -8.491 1068 1HG LYS 28 1HG LYS 28 -3.056 -14.567 -7.299 1069 2HG LYS 28 2HG LYS 28 -4.763 -14.122 -7.287 1070 1HD LYS 28 1HD LYS 28 -3.211 -14.403 -9.844 1071 2HD LYS 28 2HD LYS 28 -3.991 -15.783 -9.070 1072 1HE LYS 28 1HE LYS 28 -6.094 -14.261 -9.062 1073 2HE LYS 28 2HE LYS 28 -5.228 -13.352 -10.300 1074 1HZ LYS 28 1HZ LYS 28 -4.997 -15.497 -11.525 1075 2HZ LYS 28 2HZ LYS 28 -6.587 -14.935 -11.393 1076 3HZ LYS 28 3HZ LYS 28 -6.055 -16.199 -10.404 1077 H VAL 29 H VAL 29 -0.896 -11.195 -7.104 1078 HA VAL 29 HA VAL 29 0.437 -13.294 -5.798 1079 HB VAL 29 HB VAL 29 1.499 -10.549 -6.468 1080 1HG1 VAL 29 1HG1 VAL 29 2.880 -11.793 -4.843 1081 2HG1 VAL 29 2HG1 VAL 29 3.695 -11.562 -6.390 1082 3HG1 VAL 29 3HG1 VAL 29 2.989 -13.128 -5.992 1083 1HG2 VAL 29 1HG2 VAL 29 0.480 -12.253 -8.259 1084 2HG2 VAL 29 2HG2 VAL 29 2.113 -12.909 -8.143 1085 3HG2 VAL 29 3HG2 VAL 29 1.869 -11.223 -8.600 1086 H VAL 30 H VAL 30 -0.324 -10.004 -4.729 1087 HA VAL 30 HA VAL 30 1.087 -10.255 -2.268 1088 HB VAL 30 HB VAL 30 -1.062 -8.259 -2.991 1089 1HG1 VAL 30 1HG1 VAL 30 -0.204 -6.910 -1.200 1090 2HG1 VAL 30 2HG1 VAL 30 1.088 -8.068 -0.884 1091 3HG1 VAL 30 3HG1 VAL 30 -0.587 -8.506 -0.554 1092 1HG2 VAL 30 1HG2 VAL 30 1.856 -7.651 -3.012 1093 2HG2 VAL 30 2HG2 VAL 30 0.543 -6.901 -3.918 1094 3HG2 VAL 30 3HG2 VAL 30 1.146 -8.490 -4.390 1095 H LYS 31 H LYS 31 -2.388 -10.554 -3.105 1096 HA LYS 31 HA LYS 31 -3.276 -10.866 -0.461 1097 1HB LYS 31 1HB LYS 31 -4.741 -10.360 -2.393 1098 2HB LYS 31 2HB LYS 31 -4.466 -11.983 -3.007 1099 1HG LYS 31 1HG LYS 31 -5.784 -12.963 -1.408 1100 2HG LYS 31 2HG LYS 31 -5.542 -11.652 -0.252 1101 1HD LYS 31 1HD LYS 31 -7.017 -11.172 -2.815 1102 2HD LYS 31 2HD LYS 31 -7.839 -11.892 -1.429 1103 1HE LYS 31 1HE LYS 31 -6.787 -9.875 -0.139 1104 2HE LYS 31 2HE LYS 31 -6.682 -9.157 -1.746 1105 1HZ LYS 31 1HZ LYS 31 -9.154 -10.148 -0.431 1106 2HZ LYS 31 2HZ LYS 31 -9.074 -9.525 -2.001 1107 3HZ LYS 31 3HZ LYS 31 -8.734 -8.528 -0.678 1108 H GLN 32 H GLN 32 -2.346 -13.232 -2.930 1109 HA GLN 32 HA GLN 32 -2.895 -15.525 -1.384 1110 1HB GLN 32 1HB GLN 32 -2.599 -15.519 -3.853 1111 2HB GLN 32 2HB GLN 32 -0.880 -15.234 -3.620 1112 1HG GLN 32 1HG GLN 32 -1.171 -17.546 -4.047 1113 2HG GLN 32 2HG GLN 32 -0.778 -17.370 -2.338 1114 1HE2 GLN 32 1HE2 GLN 32 -1.694 -19.392 -1.895 1115 2HE2 GLN 32 2HE2 GLN 32 -3.406 -19.619 -1.841 1116 H PHE 33 H PHE 33 0.118 -13.653 -1.861 1117 HA PHE 33 HA PHE 33 1.726 -15.368 -0.304 1118 1HB PHE 33 1HB PHE 33 2.924 -14.106 -1.802 1119 2HB PHE 33 2HB PHE 33 1.976 -12.658 -1.513 1120 HD1 PHE 33 HD1 PHE 33 4.186 -14.877 0.562 1121 HD2 PHE 33 HD2 PHE 33 3.162 -10.941 -0.693 1122 HE1 PHE 33 HE1 PHE 33 5.991 -13.959 1.970 1123 HE2 PHE 33 HE2 PHE 33 4.955 -10.019 0.717 1124 HZ PHE 33 HZ PHE 33 6.368 -11.520 2.051 1125 H PHE 34 H PHE 34 0.110 -12.286 0.488 1126 HA PHE 34 HA PHE 34 1.094 -12.339 3.167 1127 1HB PHE 34 1HB PHE 34 -0.792 -10.571 1.672 1128 2HB PHE 34 2HB PHE 34 -0.711 -10.471 3.432 1129 HD1 PHE 34 HD1 PHE 34 1.202 -10.056 0.313 1130 HD2 PHE 34 HD2 PHE 34 1.191 -9.560 4.540 1131 HE1 PHE 34 HE1 PHE 34 3.257 -8.711 0.159 1132 HE2 PHE 34 HE2 PHE 34 3.241 -8.213 4.393 1133 HZ PHE 34 HZ PHE 34 4.285 -7.794 2.203 1134 H ASN 35 H ASN 35 -1.863 -13.471 1.650 1135 HA ASN 35 HA ASN 35 -3.439 -13.766 3.950 1136 1HB ASN 35 1HB ASN 35 -3.369 -15.210 1.319 1137 2HB ASN 35 2HB ASN 35 -4.405 -15.803 2.613 1138 1HD2 ASN 35 1HD2 ASN 35 -3.735 -12.396 2.220 1139 2HD2 ASN 35 2HD2 ASN 35 -5.312 -11.957 1.675 1140 H ASP 36 H ASP 36 -0.771 -15.637 2.752 1141 HA ASP 36 HA ASP 36 -1.113 -17.994 4.229 1142 1HB ASP 36 1HB ASP 36 1.343 -16.646 3.118 1143 2HB ASP 36 2HB ASP 36 1.405 -18.205 3.933 1144 H ASN 37 H ASN 37 -0.255 -14.859 5.266 1145 HA ASN 37 HA ASN 37 0.868 -15.927 7.768 1146 1HB ASN 37 1HB ASN 37 1.831 -13.742 8.179 1147 2HB ASN 37 2HB ASN 37 2.300 -14.311 6.580 1148 1HD2 ASN 37 1HD2 ASN 37 2.282 -12.791 5.121 1149 2HD2 ASN 37 2HD2 ASN 37 1.202 -11.444 5.054 1150 H GLY 38 H GLY 38 -1.879 -14.270 6.475 1151 1HA GLY 38 1HA GLY 38 -3.795 -14.574 8.116 1152 2HA GLY 38 2HA GLY 38 -2.775 -13.681 9.228 1153 H VAL 39 H VAL 39 -2.563 -12.572 5.997 1154 HA VAL 39 HA VAL 39 -4.005 -10.160 6.749 1155 HB VAL 39 HB VAL 39 -2.542 -10.710 4.165 1156 1HG1 VAL 39 1HG1 VAL 39 -3.917 -8.868 3.793 1157 2HG1 VAL 39 2HG1 VAL 39 -2.387 -8.137 4.278 1158 3HG1 VAL 39 3HG1 VAL 39 -3.711 -8.260 5.436 1159 1HG2 VAL 39 1HG2 VAL 39 -0.711 -10.757 5.462 1160 2HG2 VAL 39 2HG2 VAL 39 -1.555 -10.068 6.849 1161 3HG2 VAL 39 3HG2 VAL 39 -0.946 -9.014 5.574 1162 H ASP 40 H ASP 40 -5.831 -9.366 5.711 1163 HA ASP 40 HA ASP 40 -6.957 -10.746 3.448 1164 1HB ASP 40 1HB ASP 40 -8.107 -11.050 6.205 1165 2HB ASP 40 2HB ASP 40 -9.160 -11.090 4.795 1166 H GLY 41 H GLY 41 -9.371 -9.863 3.213 1167 1HA GLY 41 1HA GLY 41 -10.743 -7.854 3.690 1168 2HA GLY 41 2HA GLY 41 -9.239 -6.945 3.683 1169 H GLU 42 H GLU 42 -9.784 -5.546 2.030 1170 HA GLU 42 HA GLU 42 -9.669 -6.707 -0.639 1171 1HB GLU 42 1HB GLU 42 -11.917 -4.900 0.267 1172 2HB GLU 42 2HB GLU 42 -11.601 -5.343 -1.406 1173 1HG GLU 42 1HG GLU 42 -11.815 -7.773 -0.555 1174 2HG GLU 42 2HG GLU 42 -12.611 -7.037 0.836 1175 H TRP 43 H TRP 43 -9.123 -5.183 -2.285 1176 HA TRP 43 HA TRP 43 -7.326 -3.157 -1.365 1177 1HB TRP 43 1HB TRP 43 -8.245 -3.902 -4.146 1178 2HB TRP 43 2HB TRP 43 -6.982 -2.724 -3.799 1179 HD1 TRP 43 HD1 TRP 43 -7.670 -6.486 -3.724 1180 HE1 TRP 43 HE1 TRP 43 -5.428 -7.728 -3.511 1181 HE3 TRP 43 HE3 TRP 43 -4.593 -2.479 -2.943 1182 HZ2 TRP 43 HZ2 TRP 43 -2.711 -7.095 -3.070 1183 HZ3 TRP 43 HZ3 TRP 43 -2.184 -2.884 -2.634 1184 HH2 TRP 43 HH2 TRP 43 -1.266 -5.144 -2.696 1185 H THR 44 H THR 44 -7.830 -1.199 -0.792 1186 HA THR 44 HA THR 44 -10.259 0.025 -1.911 1187 HB THR 44 HB THR 44 -10.303 1.433 0.097 1188 HG1 THR 44 HG1 THR 44 -8.241 1.614 0.746 1189 1HG2 THR 44 1HG2 THR 44 -10.818 -0.216 1.786 1190 2HG2 THR 44 2HG2 THR 44 -10.001 -1.465 0.845 1191 3HG2 THR 44 3HG2 THR 44 -11.470 -0.712 0.225 1192 H TYR 45 H TYR 45 -10.173 2.026 -2.785 1193 HA TYR 45 HA TYR 45 -7.674 2.897 -3.841 1194 1HB TYR 45 1HB TYR 45 -10.480 3.956 -3.960 1195 2HB TYR 45 2HB TYR 45 -9.142 4.936 -4.547 1196 HD1 TYR 45 HD1 TYR 45 -11.304 2.111 -5.224 1197 HD2 TYR 45 HD2 TYR 45 -7.754 4.113 -6.444 1198 HE1 TYR 45 HE1 TYR 45 -11.378 0.921 -7.376 1199 HE2 TYR 45 HE2 TYR 45 -7.819 2.931 -8.599 1200 HH TYR 45 HH TYR 45 -9.355 0.282 -9.198 1201 H ASP 46 H ASP 46 -6.408 4.630 -3.294 1202 HA ASP 46 HA ASP 46 -6.478 5.458 -0.572 1203 1HB ASP 46 1HB ASP 46 -4.827 6.576 -2.849 1204 2HB ASP 46 2HB ASP 46 -4.517 6.802 -1.131 1205 H ASP 47 H ASP 47 -6.474 7.723 0.141 1206 HA ASP 47 HA ASP 47 -8.785 9.092 -0.737 1207 1HB ASP 47 1HB ASP 47 -6.511 9.972 1.052 1208 2HB ASP 47 2HB ASP 47 -7.976 10.913 0.796 1209 H ALA 48 H ALA 48 -9.070 10.537 -2.302 1210 HA ALA 48 HA ALA 48 -7.167 11.105 -4.234 1211 1HB ALA 48 1HB ALA 48 -9.378 13.044 -3.746 1212 2HB ALA 48 2HB ALA 48 -9.767 11.386 -4.206 1213 3HB ALA 48 3HB ALA 48 -8.770 12.384 -5.265 1214 H THR 49 H THR 49 -5.856 12.813 -4.696 1215 HA THR 49 HA THR 49 -5.622 14.988 -2.755 1216 HB THR 49 HB THR 49 -3.188 13.492 -3.731 1217 HG1 THR 49 HG1 THR 49 -3.311 12.204 -2.052 1218 1HG2 THR 49 1HG2 THR 49 -2.019 14.587 -1.968 1219 2HG2 THR 49 2HG2 THR 49 -3.509 15.299 -1.351 1220 3HG2 THR 49 3HG2 THR 49 -2.867 15.810 -2.912 1221 H LYS 50 H LYS 50 -4.457 16.846 -3.599 1222 HA LYS 50 HA LYS 50 -4.362 16.867 -6.545 1223 1HB LYS 50 1HB LYS 50 -5.591 18.775 -4.618 1224 2HB LYS 50 2HB LYS 50 -4.856 19.437 -6.071 1225 1HG LYS 50 1HG LYS 50 -6.293 18.071 -7.459 1226 2HG LYS 50 2HG LYS 50 -6.994 17.318 -6.025 1227 1HD LYS 50 1HD LYS 50 -7.084 20.257 -6.065 1228 2HD LYS 50 2HD LYS 50 -8.055 19.461 -7.304 1229 1HE LYS 50 1HE LYS 50 -8.787 17.968 -5.242 1230 2HE LYS 50 2HE LYS 50 -8.327 19.414 -4.344 1231 1HZ LYS 50 1HZ LYS 50 -10.641 19.528 -4.876 1232 2HZ LYS 50 2HZ LYS 50 -10.344 19.239 -6.516 1233 3HZ LYS 50 3HZ LYS 50 -9.834 20.688 -5.807 1234 H THR 51 H THR 51 -2.466 17.333 -7.387 1235 HA THR 51 HA THR 51 -0.444 18.650 -5.706 1236 HB THR 51 HB THR 51 -0.168 16.792 -8.078 1237 HG1 THR 51 HG1 THR 51 0.774 15.444 -6.541 1238 1HG2 THR 51 1HG2 THR 51 2.197 16.889 -7.863 1239 2HG2 THR 51 2HG2 THR 51 2.086 17.968 -6.473 1240 3HG2 THR 51 3HG2 THR 51 1.611 18.539 -8.072 1241 H PHE 52 H PHE 52 0.355 20.593 -6.287 1242 HA PHE 52 HA PHE 52 -0.818 21.946 -8.546 1243 1HB PHE 52 1HB PHE 52 -0.436 23.064 -6.347 1244 2HB PHE 52 2HB PHE 52 1.297 22.957 -6.636 1245 HD1 PHE 52 HD1 PHE 52 -1.843 24.509 -7.768 1246 HD2 PHE 52 HD2 PHE 52 2.399 24.459 -8.107 1247 HE1 PHE 52 HE1 PHE 52 -1.920 26.643 -8.990 1248 HE2 PHE 52 HE2 PHE 52 2.330 26.594 -9.328 1249 HZ PHE 52 HZ PHE 52 0.169 27.689 -9.771 1250 H THR 53 H THR 53 -0.013 21.915 -10.529 1251 HA THR 53 HA THR 53 2.771 21.125 -10.937 1252 HB THR 53 HB THR 53 0.516 21.487 -12.924 1253 HG1 THR 53 HG1 THR 53 1.672 19.163 -11.784 1254 1HG2 THR 53 1HG2 THR 53 3.362 20.700 -13.269 1255 2HG2 THR 53 2HG2 THR 53 2.325 21.682 -14.304 1256 3HG2 THR 53 3HG2 THR 53 2.127 19.929 -14.265 1257 H VAL 54 H VAL 54 4.308 22.582 -11.347 1258 HA VAL 54 HA VAL 54 3.702 25.358 -11.519 1259 HB VAL 54 HB VAL 54 6.365 24.146 -12.217 1260 1HG1 VAL 54 1HG1 VAL 54 6.527 26.399 -12.624 1261 2HG1 VAL 54 2HG1 VAL 54 7.016 26.330 -10.931 1262 3HG1 VAL 54 3HG1 VAL 54 5.377 26.821 -11.356 1263 1HG2 VAL 54 1HG2 VAL 54 5.068 24.461 -9.536 1264 2HG2 VAL 54 2HG2 VAL 54 6.820 24.575 -9.704 1265 3HG2 VAL 54 3HG2 VAL 54 5.983 23.097 -10.179 1266 H THR 55 H THR 55 4.287 26.799 -13.235 1267 HA THR 55 HA THR 55 4.668 25.675 -15.884 1268 HB THR 55 HB THR 55 2.273 27.401 -15.247 1269 HG1 THR 55 HG1 THR 55 2.452 24.652 -15.909 1270 1HG2 THR 55 1HG2 THR 55 2.818 25.964 -17.819 1271 2HG2 THR 55 2HG2 THR 55 3.293 27.640 -17.547 1272 3HG2 THR 55 3HG2 THR 55 1.592 27.183 -17.476 1273 H GLU 56 H GLU 56 3.551 28.760 -14.533 1274 HA GLU 56 HA GLU 56 4.348 30.884 -14.703 1275 1HB GLU 56 1HB GLU 56 6.903 29.302 -14.825 1276 2HB GLU 56 2HB GLU 56 6.910 31.057 -14.925 1277 1HG GLU 56 1HG GLU 56 6.054 31.291 -12.750 1278 2HG GLU 56 2HG GLU 56 5.586 29.593 -12.666 1279 1H MET 1 1H MET 1 0.216 1.924 -13.053 1280 2H MET 1 2H MET 1 1.415 1.077 -12.164 1281 3H MET 1 3H MET 1 1.384 2.793 -12.148 1282 HA MET 1 HA MET 1 -0.682 2.795 -11.020 1283 1HB MET 1 1HB MET 1 -1.488 0.697 -12.097 1284 2HB MET 1 2HB MET 1 -0.402 -0.218 -11.060 1285 1HG MET 1 1HG MET 1 -2.519 -0.365 -10.064 1286 2HG MET 1 2HG MET 1 -1.615 0.799 -9.098 1287 1HE MET 1 1HE MET 1 -2.172 2.803 -8.503 1288 2HE MET 1 2HE MET 1 -3.612 3.741 -8.900 1289 3HE MET 1 3HE MET 1 -2.176 3.854 -9.919 1290 H GLN 2 H GLN 2 -0.214 3.465 -9.035 1291 HA GLN 2 HA GLN 2 2.140 2.411 -7.683 1292 1HB GLN 2 1HB GLN 2 1.552 4.904 -7.927 1293 2HB GLN 2 2HB GLN 2 0.354 4.616 -6.672 1294 1HG GLN 2 1HG GLN 2 2.019 4.046 -5.089 1295 2HG GLN 2 2HG GLN 2 3.269 3.977 -6.331 1296 1HE2 GLN 2 1HE2 GLN 2 1.633 5.919 -4.086 1297 2HE2 GLN 2 2HE2 GLN 2 2.372 7.429 -4.489 1298 H TYR 3 H TYR 3 2.022 0.888 -6.169 1299 HA TYR 3 HA TYR 3 -0.586 0.409 -4.898 1300 1HB TYR 3 1HB TYR 3 1.633 -1.434 -5.695 1301 2HB TYR 3 2HB TYR 3 0.531 -1.895 -4.402 1302 HD1 TYR 3 HD1 TYR 3 0.852 -1.254 -7.998 1303 HD2 TYR 3 HD2 TYR 3 -1.793 -2.392 -4.866 1304 HE1 TYR 3 HE1 TYR 3 -0.778 -2.035 -9.666 1305 HE2 TYR 3 HE2 TYR 3 -3.429 -3.177 -6.524 1306 HH TYR 3 HH TYR 3 -3.972 -2.687 -8.951 1307 H LYS 4 H LYS 4 -0.827 0.410 -2.807 1308 HA LYS 4 HA LYS 4 1.510 1.035 -1.124 1309 1HB LYS 4 1HB LYS 4 -1.366 1.815 -1.013 1310 2HB LYS 4 2HB LYS 4 -0.489 1.679 0.504 1311 1HG LYS 4 1HG LYS 4 1.252 3.210 -0.588 1312 2HG LYS 4 2HG LYS 4 -0.003 3.550 -1.782 1313 1HD LYS 4 1HD LYS 4 -1.510 4.098 0.199 1314 2HD LYS 4 2HD LYS 4 -0.039 4.095 1.175 1315 1HE LYS 4 1HE LYS 4 0.886 5.898 -0.048 1316 2HE LYS 4 2HE LYS 4 -0.339 5.763 -1.310 1317 1HZ LYS 4 1HZ LYS 4 -0.835 6.596 1.498 1318 2HZ LYS 4 2HZ LYS 4 -2.010 6.467 0.288 1319 3HZ LYS 4 3HZ LYS 4 -0.785 7.626 0.156 1320 H VAL 5 H VAL 5 2.109 -0.286 0.491 1321 HA VAL 5 HA VAL 5 0.253 -2.342 1.442 1322 HB VAL 5 HB VAL 5 3.071 -3.028 0.601 1323 1HG1 VAL 5 1HG1 VAL 5 1.817 -4.315 2.452 1324 2HG1 VAL 5 2HG1 VAL 5 2.576 -5.233 1.150 1325 3HG1 VAL 5 3HG1 VAL 5 0.835 -4.950 1.131 1326 1HG2 VAL 5 1HG2 VAL 5 1.929 -2.582 -1.422 1327 2HG2 VAL 5 2HG2 VAL 5 0.464 -3.384 -0.858 1328 3HG2 VAL 5 3HG2 VAL 5 1.904 -4.334 -1.224 1329 H ILE 6 H ILE 6 0.319 -2.509 3.601 1330 HA ILE 6 HA ILE 6 2.507 -1.185 5.025 1331 HB ILE 6 HB ILE 6 -0.068 -2.206 6.210 1332 1HG1 ILE 6 1HG1 ILE 6 0.506 0.617 5.293 1333 2HG1 ILE 6 2HG1 ILE 6 -0.437 -0.539 4.358 1334 1HG2 ILE 6 1HG2 ILE 6 0.442 -0.569 7.975 1335 2HG2 ILE 6 2HG2 ILE 6 1.956 -0.182 7.157 1336 3HG2 ILE 6 3HG2 ILE 6 1.698 -1.798 7.815 1337 1HD1 ILE 6 1HD1 ILE 6 -1.162 1.007 6.747 1338 2HD1 ILE 6 2HD1 ILE 6 -1.730 -0.662 6.713 1339 3HD1 ILE 6 3HD1 ILE 6 -2.159 0.442 5.407 1340 H LEU 7 H LEU 7 4.040 -2.328 6.037 1341 HA LEU 7 HA LEU 7 3.423 -5.053 6.932 1342 1HB LEU 7 1HB LEU 7 5.527 -4.187 5.030 1343 2HB LEU 7 2HB LEU 7 6.018 -5.342 6.253 1344 HG LEU 7 HG LEU 7 3.824 -6.599 5.404 1345 1HD1 LEU 7 1HD1 LEU 7 3.117 -6.129 3.316 1346 2HD1 LEU 7 2HD1 LEU 7 4.722 -5.651 2.763 1347 3HD1 LEU 7 3HD1 LEU 7 3.740 -4.524 3.699 1348 1HD2 LEU 7 1HD2 LEU 7 5.260 -7.958 3.989 1349 2HD2 LEU 7 2HD2 LEU 7 6.114 -7.498 5.463 1350 3HD2 LEU 7 3HD2 LEU 7 6.466 -6.671 3.947 1351 H ASN 8 H ASN 8 3.697 -5.060 9.081 1352 HA ASN 8 HA ASN 8 5.547 -3.160 10.299 1353 1HB ASN 8 1HB ASN 8 3.384 -4.941 11.422 1354 2HB ASN 8 2HB ASN 8 4.494 -4.038 12.447 1355 1HD2 ASN 8 1HD2 ASN 8 1.557 -3.878 12.012 1356 2HD2 ASN 8 2HD2 ASN 8 1.251 -2.220 11.637 1357 H GLY 9 H GLY 9 7.594 -3.815 10.539 1358 1HA GLY 9 1HA GLY 9 8.074 -6.669 11.125 1359 2HA GLY 9 2HA GLY 9 9.228 -5.606 10.334 1360 H LYS 10 H LYS 10 7.302 -5.075 13.272 1361 HA LYS 10 HA LYS 10 9.837 -4.809 14.755 1362 1HB LYS 10 1HB LYS 10 8.299 -2.724 14.282 1363 2HB LYS 10 2HB LYS 10 7.362 -3.371 15.622 1364 1HG LYS 10 1HG LYS 10 8.803 -1.823 16.601 1365 2HG LYS 10 2HG LYS 10 9.551 -3.388 16.926 1366 1HD LYS 10 1HD LYS 10 11.392 -2.294 16.165 1367 2HD LYS 10 2HD LYS 10 10.753 -2.834 14.610 1368 1HE LYS 10 1HE LYS 10 9.542 -0.643 14.455 1369 2HE LYS 10 2HE LYS 10 10.430 -0.124 15.888 1370 1HZ LYS 10 1HZ LYS 10 11.389 0.530 13.663 1371 2HZ LYS 10 2HZ LYS 10 11.799 -1.097 13.451 1372 3HZ LYS 10 3HZ LYS 10 12.456 -0.223 14.740 1373 H THR 11 H THR 11 9.804 -5.390 16.990 1374 HA THR 11 HA THR 11 7.611 -7.215 17.727 1375 HB THR 11 HB THR 11 10.457 -7.667 18.587 1376 HG1 THR 11 HG1 THR 11 10.709 -9.025 16.821 1377 1HG2 THR 11 1HG2 THR 11 9.024 -9.036 19.817 1378 2HG2 THR 11 2HG2 THR 11 9.629 -10.069 18.522 1379 3HG2 THR 11 3HG2 THR 11 8.007 -9.381 18.418 1380 H LEU 12 H LEU 12 6.602 -5.657 19.006 1381 HA LEU 12 HA LEU 12 8.139 -4.533 21.230 1382 1HB LEU 12 1HB LEU 12 6.567 -3.180 19.688 1383 2HB LEU 12 2HB LEU 12 5.269 -3.911 20.613 1384 HG LEU 12 HG LEU 12 6.536 -2.973 22.681 1385 1HD1 LEU 12 1HD1 LEU 12 7.731 -1.392 20.421 1386 2HD1 LEU 12 2HD1 LEU 12 8.566 -2.265 21.706 1387 3HD1 LEU 12 3HD1 LEU 12 7.665 -0.796 22.079 1388 1HD2 LEU 12 1HD2 LEU 12 5.082 -1.198 22.709 1389 2HD2 LEU 12 2HD2 LEU 12 4.336 -2.216 21.478 1390 3HD2 LEU 12 3HD2 LEU 12 5.320 -0.833 21.000 1391 H LYS 13 H LYS 13 7.364 -4.652 23.391 1392 HA LYS 13 HA LYS 13 6.511 -7.221 24.171 1393 1HB LYS 13 1HB LYS 13 7.888 -5.564 25.517 1394 2HB LYS 13 2HB LYS 13 6.379 -4.736 25.877 1395 1HG LYS 13 1HG LYS 13 5.550 -6.563 27.106 1396 2HG LYS 13 2HG LYS 13 6.799 -7.645 26.486 1397 1HD LYS 13 1HD LYS 13 8.413 -5.908 27.621 1398 2HD LYS 13 2HD LYS 13 6.981 -5.530 28.581 1399 1HE LYS 13 1HE LYS 13 6.819 -7.789 29.349 1400 2HE LYS 13 2HE LYS 13 8.077 -8.314 28.232 1401 1HZ LYS 13 1HZ LYS 13 8.815 -8.014 30.576 1402 2HZ LYS 13 2HZ LYS 13 8.539 -6.354 30.409 1403 3HZ LYS 13 3HZ LYS 13 9.704 -7.116 29.449 1404 H GLY 14 H GLY 14 4.533 -7.947 23.645 1405 1HA GLY 14 1HA GLY 14 2.234 -6.734 24.860 1406 2HA GLY 14 2HA GLY 14 2.244 -6.543 23.114 1407 H GLU 15 H GLU 15 1.144 -8.038 22.051 1408 HA GLU 15 HA GLU 15 1.055 -10.767 23.152 1409 1HB GLU 15 1HB GLU 15 -1.239 -9.300 21.835 1410 2HB GLU 15 2HB GLU 15 -1.275 -10.959 22.415 1411 1HG GLU 15 1HG GLU 15 -0.708 -8.630 24.220 1412 2HG GLU 15 2HG GLU 15 -2.341 -9.210 23.893 1413 H THR 16 H THR 16 2.799 -9.652 21.120 1414 HA THR 16 HA THR 16 1.798 -10.858 18.649 1415 HB THR 16 HB THR 16 4.380 -9.342 19.057 1416 HG1 THR 16 HG1 THR 16 1.814 -8.392 18.321 1417 1HG2 THR 16 1HG2 THR 16 4.474 -9.054 16.750 1418 2HG2 THR 16 2HG2 THR 16 2.799 -9.560 16.525 1419 3HG2 THR 16 3HG2 THR 16 4.029 -10.748 16.960 1420 H THR 17 H THR 17 2.365 -12.842 18.071 1421 HA THR 17 HA THR 17 4.649 -14.099 19.430 1422 HB THR 17 HB THR 17 2.627 -15.669 17.885 1423 HG1 THR 17 HG1 THR 17 2.222 -14.613 20.484 1424 1HG2 THR 17 1HG2 THR 17 4.756 -16.399 19.436 1425 2HG2 THR 17 2HG2 THR 17 3.389 -17.428 19.010 1426 3HG2 THR 17 3HG2 THR 17 3.395 -16.559 20.545 1427 H THR 18 H THR 18 3.030 -14.013 16.258 1428 HA THR 18 HA THR 18 5.525 -14.894 15.000 1429 HB THR 18 HB THR 18 3.532 -16.148 14.389 1430 HG1 THR 18 HG1 THR 18 4.010 -16.175 12.317 1431 1HG2 THR 18 1HG2 THR 18 2.377 -13.476 13.970 1432 2HG2 THR 18 2HG2 THR 18 1.613 -14.985 14.470 1433 3HG2 THR 18 3HG2 THR 18 1.972 -14.699 12.767 1434 H GLU 19 H GLU 19 5.787 -13.883 12.693 1435 HA GLU 19 HA GLU 19 4.994 -11.173 12.341 1436 1HB GLU 19 1HB GLU 19 7.240 -10.154 12.560 1437 2HB GLU 19 2HB GLU 19 6.610 -10.745 14.092 1438 1HG GLU 19 1HG GLU 19 7.973 -12.894 13.453 1439 2HG GLU 19 2HG GLU 19 8.871 -11.756 12.450 1440 H ALA 20 H ALA 20 4.459 -11.839 10.278 1441 HA ALA 20 HA ALA 20 6.635 -12.819 8.568 1442 1HB ALA 20 1HB ALA 20 3.821 -12.676 7.612 1443 2HB ALA 20 2HB ALA 20 4.250 -13.908 8.799 1444 3HB ALA 20 3HB ALA 20 5.082 -13.853 7.244 1445 H VAL 21 H VAL 21 4.361 -10.190 8.977 1446 HA VAL 21 HA VAL 21 5.001 -8.947 6.463 1447 HB VAL 21 HB VAL 21 3.730 -6.984 7.414 1448 1HG1 VAL 21 1HG1 VAL 21 2.174 -8.015 6.204 1449 2HG1 VAL 21 2HG1 VAL 21 1.614 -8.754 7.703 1450 3HG1 VAL 21 3HG1 VAL 21 2.762 -9.609 6.674 1451 1HG2 VAL 21 1HG2 VAL 21 4.199 -7.583 9.805 1452 2HG2 VAL 21 2HG2 VAL 21 3.028 -8.891 9.639 1453 3HG2 VAL 21 3HG2 VAL 21 2.511 -7.217 9.449 1454 H ASP 22 H ASP 22 7.364 -9.140 7.025 1455 HA ASP 22 HA ASP 22 8.315 -6.920 8.703 1456 1HB ASP 22 1HB ASP 22 9.529 -9.491 7.758 1457 2HB ASP 22 2HB ASP 22 10.583 -8.141 8.171 1458 H ALA 23 H ALA 23 9.683 -5.381 7.956 1459 HA ALA 23 HA ALA 23 9.313 -4.322 5.455 1460 1HB ALA 23 1HB ALA 23 10.594 -2.683 6.259 1461 2HB ALA 23 2HB ALA 23 11.969 -3.765 6.498 1462 3HB ALA 23 3HB ALA 23 10.707 -3.655 7.728 1463 H ALA 24 H ALA 24 11.903 -6.494 6.527 1464 HA ALA 24 HA ALA 24 13.318 -6.515 4.071 1465 1HB ALA 24 1HB ALA 24 14.315 -7.166 6.229 1466 2HB ALA 24 2HB ALA 24 14.533 -8.395 4.984 1467 3HB ALA 24 3HB ALA 24 13.309 -8.615 6.235 1468 H THR 25 H THR 25 10.583 -8.307 5.279 1469 HA THR 25 HA THR 25 10.650 -10.495 3.515 1470 HB THR 25 HB THR 25 8.312 -9.129 4.865 1471 HG1 THR 25 HG1 THR 25 9.868 -11.396 5.544 1472 1HG2 THR 25 1HG2 THR 25 7.030 -10.389 3.546 1473 2HG2 THR 25 2HG2 THR 25 7.547 -11.704 4.605 1474 3HG2 THR 25 3HG2 THR 25 8.368 -11.436 3.068 1475 H PHE 26 H PHE 26 9.253 -7.284 3.228 1476 HA PHE 26 HA PHE 26 7.909 -7.734 0.767 1477 1HB PHE 26 1HB PHE 26 7.576 -5.812 2.462 1478 2HB PHE 26 2HB PHE 26 8.934 -5.044 1.643 1479 HD1 PHE 26 HD1 PHE 26 5.544 -6.428 1.101 1480 HD2 PHE 26 HD2 PHE 26 8.624 -3.881 -0.364 1481 HE1 PHE 26 HE1 PHE 26 4.007 -5.562 -0.613 1482 HE2 PHE 26 HE2 PHE 26 7.091 -3.011 -2.080 1483 HZ PHE 26 HZ PHE 26 4.780 -3.851 -2.206 1484 H GLU 27 H GLU 27 11.072 -6.412 1.598 1485 HA GLU 27 HA GLU 27 11.906 -5.616 -0.934 1486 1HB GLU 27 1HB GLU 27 13.060 -5.027 1.156 1487 2HB GLU 27 2HB GLU 27 13.587 -6.694 1.334 1488 1HG GLU 27 1HG GLU 27 14.454 -6.011 -1.193 1489 2HG GLU 27 2HG GLU 27 14.711 -4.543 -0.250 1490 H LYS 28 H LYS 28 12.622 -8.704 0.714 1491 HA LYS 28 HA LYS 28 13.987 -9.815 -1.492 1492 1HB LYS 28 1HB LYS 28 14.124 -10.505 0.957 1493 2HB LYS 28 2HB LYS 28 12.643 -11.411 0.674 1494 1HG LYS 28 1HG LYS 28 13.748 -12.743 -1.022 1495 2HG LYS 28 2HG LYS 28 15.226 -11.800 -0.826 1496 1HD LYS 28 1HD LYS 28 13.963 -13.272 1.470 1497 2HD LYS 28 2HD LYS 28 15.098 -14.058 0.369 1498 1HE LYS 28 1HE LYS 28 16.615 -12.018 0.894 1499 2HE LYS 28 2HE LYS 28 15.570 -11.821 2.300 1500 1HZ LYS 28 1HZ LYS 28 16.082 -14.184 2.848 1501 2HZ LYS 28 2HZ LYS 28 17.409 -13.140 2.952 1502 3HZ LYS 28 3HZ LYS 28 17.247 -14.170 1.620 1503 H VAL 29 H VAL 29 10.630 -10.308 -0.346 1504 HA VAL 29 HA VAL 29 9.963 -12.254 -2.259 1505 HB VAL 29 HB VAL 29 8.128 -10.292 -0.881 1506 1HG1 VAL 29 1HG1 VAL 29 7.131 -11.388 -2.859 1507 2HG1 VAL 29 2HG1 VAL 29 6.358 -11.877 -1.349 1508 3HG1 VAL 29 3HG1 VAL 29 7.499 -12.959 -2.145 1509 1HG2 VAL 29 1HG2 VAL 29 9.712 -12.025 0.395 1510 2HG2 VAL 29 2HG2 VAL 29 8.367 -13.101 0.016 1511 3HG2 VAL 29 3HG2 VAL 29 8.084 -11.630 0.948 1512 H VAL 30 H VAL 30 9.602 -8.730 -2.303 1513 HA VAL 30 HA VAL 30 8.227 -8.695 -4.796 1514 HB VAL 30 HB VAL 30 9.674 -6.421 -3.434 1515 1HG1 VAL 30 1HG1 VAL 30 8.354 -4.956 -4.801 1516 2HG1 VAL 30 2HG1 VAL 30 7.473 -6.318 -5.492 1517 3HG1 VAL 30 3HG1 VAL 30 9.183 -6.097 -5.859 1518 1HG2 VAL 30 1HG2 VAL 30 6.717 -6.795 -3.374 1519 2HG2 VAL 30 2HG2 VAL 30 7.770 -5.957 -2.234 1520 3HG2 VAL 30 3HG2 VAL 30 7.723 -7.720 -2.259 1521 H LYS 31 H LYS 31 11.655 -8.117 -3.918 1522 HA LYS 31 HA LYS 31 12.470 -7.365 -6.496 1523 1HB LYS 31 1HB LYS 31 13.793 -6.999 -4.435 1524 2HB LYS 31 2HB LYS 31 14.070 -8.731 -4.323 1525 1HG LYS 31 1HG LYS 31 15.548 -8.749 -6.075 1526 2HG LYS 31 2HG LYS 31 14.857 -7.304 -6.815 1527 1HD LYS 31 1HD LYS 31 16.225 -7.146 -4.155 1528 2HD LYS 31 2HD LYS 31 17.167 -7.149 -5.647 1529 1HE LYS 31 1HE LYS 31 15.488 -5.276 -6.360 1530 2HE LYS 31 2HE LYS 31 15.233 -5.118 -4.622 1531 1HZ LYS 31 1HZ LYS 31 17.830 -4.871 -6.042 1532 2HZ LYS 31 2HZ LYS 31 17.632 -4.787 -4.365 1533 3HZ LYS 31 3HZ LYS 31 16.940 -3.606 -5.359 1534 H GLN 32 H GLN 32 12.445 -10.506 -4.855 1535 HA GLN 32 HA GLN 32 13.612 -11.967 -6.965 1536 1HB GLN 32 1HB GLN 32 13.447 -12.761 -4.614 1537 2HB GLN 32 2HB GLN 32 11.715 -12.974 -4.837 1538 1HG GLN 32 1HG GLN 32 12.735 -15.099 -5.076 1539 2HG GLN 32 2HG GLN 32 12.224 -14.574 -6.680 1540 1HE2 GLN 32 1HE2 GLN 32 13.704 -15.993 -7.639 1541 2HE2 GLN 32 2HE2 GLN 32 15.396 -15.647 -7.679 1542 H PHE 33 H PHE 33 10.191 -11.350 -6.115 1543 HA PHE 33 HA PHE 33 9.129 -12.962 -8.171 1544 1HB PHE 33 1HB PHE 33 7.669 -12.623 -6.432 1545 2HB PHE 33 2HB PHE 33 8.100 -10.932 -6.249 1546 HD1 PHE 33 HD1 PHE 33 6.602 -13.041 -8.973 1547 HD2 PHE 33 HD2 PHE 33 6.398 -9.515 -6.599 1548 HE1 PHE 33 HE1 PHE 33 4.535 -12.374 -10.142 1549 HE2 PHE 33 HE2 PHE 33 4.341 -8.840 -7.766 1550 HZ PHE 33 HZ PHE 33 3.408 -10.263 -9.537 1551 H PHE 34 H PHE 34 9.657 -9.438 -7.968 1552 HA PHE 34 HA PHE 34 8.614 -9.024 -10.593 1553 1HB PHE 34 1HB PHE 34 9.920 -7.262 -8.566 1554 2HB PHE 34 2HB PHE 34 9.729 -6.692 -10.226 1555 HD1 PHE 34 HD1 PHE 34 7.932 -7.812 -7.211 1556 HD2 PHE 34 HD2 PHE 34 7.588 -6.147 -11.114 1557 HE1 PHE 34 HE1 PHE 34 5.568 -7.285 -6.776 1558 HE2 PHE 34 HE2 PHE 34 5.227 -5.614 -10.684 1559 HZ PHE 34 HZ PHE 34 4.208 -6.192 -8.518 1560 H ASN 35 H ASN 35 11.845 -9.560 -9.328 1561 HA ASN 35 HA ASN 35 13.324 -8.674 -11.539 1562 1HB ASN 35 1HB ASN 35 13.835 -10.755 -9.439 1563 2HB ASN 35 2HB ASN 35 14.941 -10.598 -10.799 1564 1HD2 ASN 35 1HD2 ASN 35 13.258 -7.835 -9.476 1565 2HD2 ASN 35 2HD2 ASN 35 14.642 -7.100 -8.756 1566 H ASP 36 H ASP 36 11.433 -11.544 -11.055 1567 HA ASP 36 HA ASP 36 12.427 -13.150 -13.126 1568 1HB ASP 36 1HB ASP 36 9.726 -13.014 -11.794 1569 2HB ASP 36 2HB ASP 36 10.117 -14.214 -13.022 1570 H ASN 37 H ASN 37 10.582 -10.282 -13.262 1571 HA ASN 37 HA ASN 37 9.736 -10.885 -16.015 1572 1HB ASN 37 1HB ASN 37 8.118 -9.090 -15.828 1573 2HB ASN 37 2HB ASN 37 7.928 -10.211 -14.484 1574 1HD2 ASN 37 1HD2 ASN 37 7.526 -9.242 -12.656 1575 2HD2 ASN 37 2HD2 ASN 37 8.136 -7.706 -12.153 1576 H GLY 38 H GLY 38 11.884 -8.895 -14.175 1577 1HA GLY 38 1HA GLY 38 13.717 -8.098 -15.745 1578 2HA GLY 38 2HA GLY 38 12.417 -7.289 -16.598 1579 H VAL 39 H VAL 39 12.022 -7.282 -13.199 1580 HA VAL 39 HA VAL 39 12.604 -4.432 -13.156 1581 HB VAL 39 HB VAL 39 11.509 -6.131 -10.911 1582 1HG1 VAL 39 1HG1 VAL 39 12.254 -4.141 -9.960 1583 2HG1 VAL 39 2HG1 VAL 39 10.551 -3.817 -10.288 1584 3HG1 VAL 39 3HG1 VAL 39 11.794 -3.183 -11.368 1585 1HG2 VAL 39 1HG2 VAL 39 9.725 -6.373 -12.249 1586 2HG2 VAL 39 2HG2 VAL 39 10.244 -5.089 -13.341 1587 3HG2 VAL 39 3HG2 VAL 39 9.398 -4.688 -11.847 1588 H ASP 40 H ASP 40 14.135 -3.442 -11.851 1589 HA ASP 40 HA ASP 40 15.744 -4.989 -10.031 1590 1HB ASP 40 1HB ASP 40 16.796 -4.108 -12.700 1591 2HB ASP 40 2HB ASP 40 17.876 -4.221 -11.314 1592 H GLY 41 H GLY 41 17.771 -3.498 -9.443 1593 1HA GLY 41 1HA GLY 41 18.416 -1.112 -9.256 1594 2HA GLY 41 2HA GLY 41 16.705 -0.765 -9.057 1595 H GLU 42 H GLU 42 16.861 0.197 -7.049 1596 HA GLU 42 HA GLU 42 17.245 -1.654 -4.834 1597 1HB GLU 42 1HB GLU 42 18.766 0.948 -5.077 1598 2HB GLU 42 2HB GLU 42 18.688 -0.034 -3.620 1599 1HG GLU 42 1HG GLU 42 19.613 -1.917 -5.126 1600 2HG GLU 42 2HG GLU 42 20.070 -0.601 -6.206 1601 H TRP 43 H TRP 43 16.328 -0.915 -2.846 1602 HA TRP 43 HA TRP 43 13.947 0.619 -3.231 1603 1HB TRP 43 1HB TRP 43 15.183 -0.562 -0.740 1604 2HB TRP 43 2HB TRP 43 13.600 0.209 -0.794 1605 HD1 TRP 43 HD1 TRP 43 15.425 -2.961 -1.911 1606 HE1 TRP 43 HE1 TRP 43 13.676 -4.728 -2.574 1607 HE3 TRP 43 HE3 TRP 43 11.215 -0.072 -1.654 1608 HZ2 TRP 43 HZ2 TRP 43 10.881 -4.878 -2.941 1609 HZ3 TRP 43 HZ3 TRP 43 9.044 -1.103 -2.178 1610 HH2 TRP 43 HH2 TRP 43 8.882 -3.457 -2.808 1611 H THR 44 H THR 44 13.784 2.714 -3.197 1612 HA THR 44 HA THR 44 15.757 4.262 -1.663 1613 HB THR 44 HB THR 44 15.266 6.126 -3.179 1614 HG1 THR 44 HG1 THR 44 13.226 5.840 -3.852 1615 1HG2 THR 44 1HG2 THR 44 16.191 5.280 -5.242 1616 2HG2 THR 44 2HG2 THR 44 15.847 3.624 -4.743 1617 3HG2 THR 44 3HG2 THR 44 17.036 4.581 -3.860 1618 H TYR 45 H TYR 45 15.092 5.798 -0.257 1619 HA TYR 45 HA TYR 45 12.497 5.502 0.885 1620 1HB TYR 45 1HB TYR 45 14.833 7.306 1.432 1621 2HB TYR 45 2HB TYR 45 13.283 7.608 2.211 1622 HD1 TYR 45 HD1 TYR 45 16.253 5.534 2.155 1623 HD2 TYR 45 HD2 TYR 45 12.315 5.885 3.728 1624 HE1 TYR 45 HE1 TYR 45 16.797 3.866 3.878 1625 HE2 TYR 45 HE2 TYR 45 12.850 4.220 5.455 1626 HH TYR 45 HH TYR 45 15.172 2.133 5.344 1627 H ASP 46 H ASP 46 10.727 6.833 0.798 1628 HA ASP 46 HA ASP 46 10.406 8.380 -1.568 1629 1HB ASP 46 1HB ASP 46 8.599 8.228 0.855 1630 2HB ASP 46 2HB ASP 46 8.151 8.825 -0.740 1631 H ASP 47 H ASP 47 9.663 10.636 -1.604 1632 HA ASP 47 HA ASP 47 11.470 12.344 -0.266 1633 1HB ASP 47 1HB ASP 47 8.952 12.942 -1.829 1634 2HB ASP 47 2HB ASP 47 10.055 14.183 -1.241 1635 H ALA 48 H ALA 48 11.369 13.288 1.664 1636 HA ALA 48 HA ALA 48 9.481 12.653 3.586 1637 1HB ALA 48 1HB ALA 48 10.951 15.240 3.772 1638 2HB ALA 48 2HB ALA 48 11.857 13.727 3.766 1639 3HB ALA 48 3HB ALA 48 10.647 14.025 5.013 1640 H THR 49 H THR 49 7.725 13.661 4.466 1641 HA THR 49 HA THR 49 6.729 16.114 3.222 1642 HB THR 49 HB THR 49 4.933 13.720 3.613 1643 HG1 THR 49 HG1 THR 49 5.368 13.075 1.641 1644 1HG2 THR 49 1HG2 THR 49 3.398 14.854 2.185 1645 2HG2 THR 49 2HG2 THR 49 4.561 16.141 1.872 1646 3HG2 THR 49 3HG2 THR 49 3.864 15.955 3.481 1647 H LYS 50 H LYS 50 5.081 17.190 4.505 1648 HA LYS 50 HA LYS 50 5.124 16.337 7.327 1649 1HB LYS 50 1HB LYS 50 5.599 19.000 6.083 1650 2HB LYS 50 2HB LYS 50 4.761 18.956 7.628 1651 1HG LYS 50 1HG LYS 50 6.620 17.775 8.637 1652 2HG LYS 50 2HG LYS 50 7.454 17.723 7.083 1653 1HD LYS 50 1HD LYS 50 6.614 20.400 7.964 1654 2HD LYS 50 2HD LYS 50 7.845 19.631 8.969 1655 1HE LYS 50 1HE LYS 50 8.909 19.100 6.601 1656 2HE LYS 50 2HE LYS 50 7.979 20.524 6.137 1657 1HZ LYS 50 1HZ LYS 50 10.168 21.189 6.790 1658 2HZ LYS 50 2HZ LYS 50 10.043 20.372 8.266 1659 3HZ LYS 50 3HZ LYS 50 9.080 21.730 7.966 1660 H THR 51 H THR 51 3.218 15.925 8.177 1661 HA THR 51 HA THR 51 0.811 16.969 6.851 1662 HB THR 51 HB THR 51 1.238 14.516 8.571 1663 HG1 THR 51 HG1 THR 51 0.687 13.446 6.667 1664 1HG2 THR 51 1HG2 THR 51 -1.047 13.932 8.292 1665 2HG2 THR 51 2HG2 THR 51 -1.343 15.335 7.266 1666 3HG2 THR 51 3HG2 THR 51 -0.997 15.555 8.980 1667 H PHE 52 H PHE 52 -0.529 18.311 7.927 1668 HA PHE 52 HA PHE 52 0.265 19.254 10.532 1669 1HB PHE 52 1HB PHE 52 -0.549 20.777 8.730 1670 2HB PHE 52 2HB PHE 52 -2.145 20.054 8.894 1671 HD1 PHE 52 HD1 PHE 52 0.398 22.123 10.566 1672 HD2 PHE 52 HD2 PHE 52 -3.593 20.649 10.680 1673 HE1 PHE 52 HE1 PHE 52 -0.142 23.733 12.346 1674 HE2 PHE 52 HE2 PHE 52 -4.140 22.257 12.460 1675 HZ PHE 52 HZ PHE 52 -2.414 23.802 13.295 1676 H THR 53 H THR 53 -0.399 18.410 12.383 1677 HA THR 53 HA THR 53 -2.773 16.706 12.415 1678 HB THR 53 HB THR 53 -0.658 17.171 14.527 1679 HG1 THR 53 HG1 THR 53 -1.076 15.024 12.725 1680 1HG2 THR 53 1HG2 THR 53 -3.089 15.461 14.494 1681 2HG2 THR 53 2HG2 THR 53 -2.373 16.386 15.814 1682 3HG2 THR 53 3HG2 THR 53 -1.630 14.874 15.291 1683 H VAL 54 H VAL 54 -4.669 17.430 13.150 1684 HA VAL 54 HA VAL 54 -4.952 20.084 14.139 1685 HB VAL 54 HB VAL 54 -7.070 17.957 14.333 1686 1HG1 VAL 54 1HG1 VAL 54 -7.896 19.839 15.364 1687 2HG1 VAL 54 2HG1 VAL 54 -8.433 20.095 13.704 1688 3HG1 VAL 54 3HG1 VAL 54 -7.008 20.938 14.309 1689 1HG2 VAL 54 1HG2 VAL 54 -6.052 19.403 11.919 1690 2HG2 VAL 54 2HG2 VAL 54 -7.750 18.935 12.029 1691 3HG2 VAL 54 3HG2 VAL 54 -6.489 17.704 12.103 1692 H THR 55 H THR 55 -5.872 20.717 16.166 1693 HA THR 55 HA THR 55 -5.760 18.819 18.359 1694 HB THR 55 HB THR 55 -4.058 21.315 18.358 1695 HG1 THR 55 HG1 THR 55 -3.342 18.578 18.188 1696 1HG2 THR 55 1HG2 THR 55 -4.008 19.103 20.381 1697 2HG2 THR 55 2HG2 THR 55 -4.991 20.553 20.581 1698 3HG2 THR 55 3HG2 THR 55 -3.237 20.686 20.461 1699 H GLU 56 H GLU 56 -5.730 22.350 18.004 1700 HA GLU 56 HA GLU 56 -7.144 23.975 18.739 1701 1HB GLU 56 1HB GLU 56 -9.067 21.706 18.286 1702 2HB GLU 56 2HB GLU 56 -9.618 23.265 18.882 1703 1HG GLU 56 1HG GLU 56 -8.978 24.367 16.907 1704 2HG GLU 56 2HG GLU 56 -8.013 22.996 16.362 Start of MODEL 19 1 1H MET 1 1H MET 1 10.092 21.164 -0.536 2 2H MET 1 2H MET 1 10.262 19.518 -0.990 3 3H MET 1 3H MET 1 11.403 20.241 0.068 4 HA MET 1 HA MET 1 9.969 18.879 1.310 5 1HB MET 1 1HB MET 1 10.578 21.492 1.806 6 2HB MET 1 2HB MET 1 8.829 21.517 1.980 7 1HG MET 1 1HG MET 1 10.461 19.444 3.382 8 2HG MET 1 2HG MET 1 10.306 21.070 4.046 9 1HE MET 1 1HE MET 1 8.984 17.695 4.737 10 2HE MET 1 2HE MET 1 8.643 17.820 3.011 11 3HE MET 1 3HE MET 1 7.316 17.688 4.165 12 H GLN 2 H GLN 2 8.236 17.675 0.962 13 HA GLN 2 HA GLN 2 5.961 18.734 -0.506 14 1HB GLN 2 1HB GLN 2 6.921 16.443 -0.933 15 2HB GLN 2 2HB GLN 2 6.313 15.962 0.645 16 1HG GLN 2 1HG GLN 2 4.028 16.554 -0.116 17 2HG GLN 2 2HG GLN 2 4.690 16.869 -1.720 18 1HE2 GLN 2 1HE2 GLN 2 6.162 14.961 -2.466 19 2HE2 GLN 2 2HE2 GLN 2 5.445 13.396 -2.312 20 H TYR 3 H TYR 3 4.203 19.539 0.431 21 HA TYR 3 HA TYR 3 3.812 19.019 3.297 22 1HB TYR 3 1HB TYR 3 3.218 21.390 1.564 23 2HB TYR 3 2HB TYR 3 2.326 21.147 3.064 24 HD1 TYR 3 HD1 TYR 3 5.375 22.323 1.585 25 HD2 TYR 3 HD2 TYR 3 3.645 20.962 5.225 26 HE1 TYR 3 HE1 TYR 3 7.223 23.352 2.841 27 HE2 TYR 3 HE2 TYR 3 5.487 21.988 6.492 28 HH TYR 3 HH TYR 3 7.147 23.770 6.212 29 H LYS 4 H LYS 4 2.152 17.930 3.946 30 HA LYS 4 HA LYS 4 -0.066 17.412 2.079 31 1HB LYS 4 1HB LYS 4 1.372 15.752 4.016 32 2HB LYS 4 2HB LYS 4 -0.376 15.611 4.145 33 1HG LYS 4 1HG LYS 4 -0.584 14.839 1.935 34 2HG LYS 4 2HG LYS 4 1.057 15.338 1.522 35 1HD LYS 4 1HD LYS 4 1.297 13.054 1.792 36 2HD LYS 4 2HD LYS 4 1.753 13.662 3.385 37 1HE LYS 4 1HE LYS 4 -0.549 13.233 4.168 38 2HE LYS 4 2HE LYS 4 -0.939 12.555 2.588 39 1HZ LYS 4 1HZ LYS 4 -0.425 10.699 3.825 40 2HZ LYS 4 2HZ LYS 4 0.809 11.464 4.691 41 3HZ LYS 4 3HZ LYS 4 1.059 11.021 3.079 42 H VAL 5 H VAL 5 -1.925 18.402 2.462 43 HA VAL 5 HA VAL 5 -2.735 18.919 5.232 44 HB VAL 5 HB VAL 5 -2.926 21.049 3.104 45 1HG1 VAL 5 1HG1 VAL 5 -4.588 21.548 4.611 46 2HG1 VAL 5 2HG1 VAL 5 -3.222 22.415 5.316 47 3HG1 VAL 5 3HG1 VAL 5 -3.710 20.853 5.974 48 1HG2 VAL 5 1HG2 VAL 5 -0.864 20.594 5.241 49 2HG2 VAL 5 2HG2 VAL 5 -1.178 22.195 4.574 50 3HG2 VAL 5 3HG2 VAL 5 -0.622 20.895 3.520 51 H ILE 6 H ILE 6 -4.785 18.437 5.602 52 HA ILE 6 HA ILE 6 -6.498 17.715 3.351 53 HB ILE 6 HB ILE 6 -7.080 17.381 6.293 54 1HG1 ILE 6 1HG1 ILE 6 -5.849 15.383 4.381 55 2HG1 ILE 6 2HG1 ILE 6 -4.982 16.226 5.661 56 1HG2 ILE 6 1HG2 ILE 6 -8.241 16.085 3.833 57 2HG2 ILE 6 2HG2 ILE 6 -9.042 17.243 4.893 58 3HG2 ILE 6 3HG2 ILE 6 -8.629 15.638 5.494 59 1HD1 ILE 6 1HD1 ILE 6 -5.905 13.788 5.989 60 2HD1 ILE 6 2HD1 ILE 6 -7.386 14.652 6.399 61 3HD1 ILE 6 3HD1 ILE 6 -5.907 14.957 7.309 62 H LEU 7 H LEU 7 -7.865 19.179 2.544 63 HA LEU 7 HA LEU 7 -9.200 21.025 4.400 64 1HB LEU 7 1HB LEU 7 -7.205 21.920 2.861 65 2HB LEU 7 2HB LEU 7 -8.507 22.039 1.694 66 HG LEU 7 HG LEU 7 -9.766 23.400 3.439 67 1HD1 LEU 7 1HD1 LEU 7 -8.598 24.354 5.243 68 2HD1 LEU 7 2HD1 LEU 7 -7.042 23.779 4.646 69 3HD1 LEU 7 3HD1 LEU 7 -8.214 22.633 5.295 70 1HD2 LEU 7 1HD2 LEU 7 -8.850 24.490 1.527 71 2HD2 LEU 7 2HD2 LEU 7 -7.218 24.413 2.190 72 3HD2 LEU 7 3HD2 LEU 7 -8.426 25.461 2.938 73 H ASN 8 H ASN 8 -11.278 20.514 4.308 74 HA ASN 8 HA ASN 8 -12.654 20.535 1.768 75 1HB ASN 8 1HB ASN 8 -13.786 18.333 2.225 76 2HB ASN 8 2HB ASN 8 -12.086 18.214 1.784 77 1HD2 ASN 8 1HD2 ASN 8 -13.154 16.098 2.963 78 2HD2 ASN 8 2HD2 ASN 8 -12.621 15.948 4.600 79 H GLY 9 H GLY 9 -12.969 19.791 5.217 80 1HA GLY 9 1HA GLY 9 -14.304 21.053 6.716 81 2HA GLY 9 2HA GLY 9 -15.231 21.649 5.347 82 H LYS 10 H LYS 10 -14.574 18.719 7.236 83 HA LYS 10 HA LYS 10 -17.142 17.603 6.389 84 1HB LYS 10 1HB LYS 10 -14.995 16.241 6.393 85 2HB LYS 10 2HB LYS 10 -15.075 16.286 8.148 86 1HG LYS 10 1HG LYS 10 -17.068 15.027 8.191 87 2HG LYS 10 2HG LYS 10 -17.325 15.238 6.457 88 1HD LYS 10 1HD LYS 10 -15.406 13.859 5.962 89 2HD LYS 10 2HD LYS 10 -15.008 13.739 7.677 90 1HE LYS 10 1HE LYS 10 -17.336 12.712 7.954 91 2HE LYS 10 2HE LYS 10 -17.329 12.535 6.200 92 1HZ LYS 10 1HZ LYS 10 -15.093 11.502 7.822 93 2HZ LYS 10 2HZ LYS 10 -15.592 11.028 6.277 94 3HZ LYS 10 3HZ LYS 10 -16.508 10.594 7.630 95 H THR 11 H THR 11 -18.886 17.564 7.663 96 HA THR 11 HA THR 11 -18.566 18.460 10.450 97 HB THR 11 HB THR 11 -19.909 20.020 9.249 98 HG1 THR 11 HG1 THR 11 -20.926 19.806 11.117 99 1HG2 THR 11 1HG2 THR 11 -22.107 19.208 8.224 100 2HG2 THR 11 2HG2 THR 11 -21.332 17.624 8.164 101 3HG2 THR 11 3HG2 THR 11 -20.622 18.986 7.297 102 H LEU 12 H LEU 12 -20.011 17.532 12.051 103 HA LEU 12 HA LEU 12 -21.090 14.896 11.355 104 1HB LEU 12 1HB LEU 12 -19.423 15.376 13.819 105 2HB LEU 12 2HB LEU 12 -20.066 13.847 13.253 106 HG LEU 12 HG LEU 12 -18.131 15.368 11.546 107 1HD1 LEU 12 1HD1 LEU 12 -16.276 14.228 12.605 108 2HD1 LEU 12 2HD1 LEU 12 -17.368 13.490 13.777 109 3HD1 LEU 12 3HD1 LEU 12 -17.120 15.236 13.781 110 1HD2 LEU 12 1HD2 LEU 12 -18.943 13.570 10.363 111 2HD2 LEU 12 2HD2 LEU 12 -19.118 12.564 11.801 112 3HD2 LEU 12 3HD2 LEU 12 -17.517 12.864 11.124 113 H LYS 13 H LYS 13 -22.406 17.406 11.819 114 HA LYS 13 HA LYS 13 -24.235 18.227 12.892 115 1HB LYS 13 1HB LYS 13 -24.440 15.595 14.346 116 2HB LYS 13 2HB LYS 13 -25.733 16.717 13.946 117 1HG LYS 13 1HG LYS 13 -25.757 16.086 11.708 118 2HG LYS 13 2HG LYS 13 -24.147 15.369 11.795 119 1HD LYS 13 1HD LYS 13 -25.780 13.604 11.695 120 2HD LYS 13 2HD LYS 13 -25.062 13.624 13.306 121 1HE LYS 13 1HE LYS 13 -27.279 13.436 13.848 122 2HE LYS 13 2HE LYS 13 -27.103 15.191 13.841 123 1HZ LYS 13 1HZ LYS 13 -29.080 14.260 12.621 124 2HZ LYS 13 2HZ LYS 13 -27.999 13.676 11.460 125 3HZ LYS 13 3HZ LYS 13 -28.117 15.339 11.742 126 H GLY 14 H GLY 14 -24.160 19.707 14.440 127 1HA GLY 14 1HA GLY 14 -24.113 19.639 17.061 128 2HA GLY 14 2HA GLY 14 -22.430 19.236 16.758 129 H GLU 15 H GLU 15 -22.000 21.188 18.012 130 HA GLU 15 HA GLU 15 -22.762 23.752 17.047 131 1HB GLU 15 1HB GLU 15 -20.830 22.727 19.080 132 2HB GLU 15 2HB GLU 15 -20.675 24.393 18.541 133 1HG GLU 15 1HG GLU 15 -23.094 24.702 19.134 134 2HG GLU 15 2HG GLU 15 -23.034 23.108 19.884 135 H THR 16 H THR 16 -22.003 24.814 15.351 136 HA THR 16 HA THR 16 -19.697 23.840 13.916 137 HB THR 16 HB THR 16 -21.242 26.350 13.289 138 HG1 THR 16 HG1 THR 16 -22.875 25.207 12.625 139 1HG2 THR 16 1HG2 THR 16 -20.810 25.611 10.946 140 2HG2 THR 16 2HG2 THR 16 -19.733 24.377 11.601 141 3HG2 THR 16 3HG2 THR 16 -19.375 26.086 11.854 142 H THR 17 H THR 17 -20.604 26.868 15.540 143 HA THR 17 HA THR 17 -19.366 28.491 16.535 144 HB THR 17 HB THR 17 -16.972 26.675 16.232 145 HG1 THR 17 HG1 THR 17 -18.685 25.579 17.273 146 1HG2 THR 17 1HG2 THR 17 -15.865 28.141 17.455 147 2HG2 THR 17 2HG2 THR 17 -17.110 28.080 18.705 148 3HG2 THR 17 3HG2 THR 17 -17.251 29.228 17.372 149 H THR 18 H THR 18 -17.000 27.047 14.276 150 HA THR 18 HA THR 18 -17.256 29.131 12.368 151 HB THR 18 HB THR 18 -16.147 30.553 13.903 152 HG1 THR 18 HG1 THR 18 -14.489 31.126 12.680 153 1HG2 THR 18 1HG2 THR 18 -13.771 28.820 14.254 154 2HG2 THR 18 2HG2 THR 18 -15.208 28.464 15.213 155 3HG2 THR 18 3HG2 THR 18 -14.449 30.052 15.318 156 H GLU 19 H GLU 19 -16.486 28.466 10.465 157 HA GLU 19 HA GLU 19 -14.164 26.858 10.151 158 1HB GLU 19 1HB GLU 19 -15.375 24.882 9.151 159 2HB GLU 19 2HB GLU 19 -15.485 25.027 10.900 160 1HG GLU 19 1HG GLU 19 -17.716 25.947 10.714 161 2HG GLU 19 2HG GLU 19 -17.607 25.906 8.955 162 H ALA 20 H ALA 20 -13.507 26.728 8.002 163 HA ALA 20 HA ALA 20 -15.225 27.373 5.821 164 1HB ALA 20 1HB ALA 20 -14.619 29.597 7.130 165 2HB ALA 20 2HB ALA 20 -14.743 29.553 5.372 166 3HB ALA 20 3HB ALA 20 -13.160 29.479 6.146 167 H VAL 21 H VAL 21 -13.477 25.259 6.330 168 HA VAL 21 HA VAL 21 -11.085 25.756 4.736 169 HB VAL 21 HB VAL 21 -10.573 23.342 5.290 170 1HG1 VAL 21 1HG1 VAL 21 -9.597 23.918 7.293 171 2HG1 VAL 21 2HG1 VAL 21 -10.995 24.850 7.830 172 3HG1 VAL 21 3HG1 VAL 21 -9.917 25.508 6.599 173 1HG2 VAL 21 1HG2 VAL 21 -13.182 23.115 5.897 174 2HG2 VAL 21 2HG2 VAL 21 -12.526 23.427 7.504 175 3HG2 VAL 21 3HG2 VAL 21 -11.937 22.058 6.561 176 H ASP 22 H ASP 22 -12.156 26.100 2.721 177 HA ASP 22 HA ASP 22 -13.442 23.743 1.536 178 1HB ASP 22 1HB ASP 22 -14.512 26.084 1.508 179 2HB ASP 22 2HB ASP 22 -13.306 26.476 0.285 180 H ALA 23 H ALA 23 -12.731 22.779 -0.273 181 HA ALA 23 HA ALA 23 -10.026 22.618 -0.803 182 1HB ALA 23 1HB ALA 23 -11.628 22.003 -3.137 183 2HB ALA 23 2HB ALA 23 -12.336 21.358 -1.655 184 3HB ALA 23 3HB ALA 23 -10.683 20.933 -2.100 185 H ALA 24 H ALA 24 -12.496 24.576 -2.425 186 HA ALA 24 HA ALA 24 -10.819 25.594 -4.464 187 1HB ALA 24 1HB ALA 24 -13.376 25.602 -4.352 188 2HB ALA 24 2HB ALA 24 -12.583 27.029 -5.018 189 3HB ALA 24 3HB ALA 24 -13.202 27.053 -3.367 190 H THR 25 H THR 25 -11.461 26.561 -1.167 191 HA THR 25 HA THR 25 -10.395 29.165 -1.258 192 HB THR 25 HB THR 25 -10.653 27.165 0.992 193 HG1 THR 25 HG1 THR 25 -12.120 29.509 0.371 194 1HG2 THR 25 1HG2 THR 25 -9.277 28.442 2.184 195 2HG2 THR 25 2HG2 THR 25 -10.618 29.588 2.218 196 3HG2 THR 25 3HG2 THR 25 -9.337 29.766 1.019 197 H PHE 26 H PHE 26 -8.949 26.008 -0.825 198 HA PHE 26 HA PHE 26 -6.367 26.860 -0.050 199 1HB PHE 26 1HB PHE 26 -7.348 24.504 0.098 200 2HB PHE 26 2HB PHE 26 -6.958 24.348 -1.612 201 HD1 PHE 26 HD1 PHE 26 -5.390 25.230 1.647 202 HD2 PHE 26 HD2 PHE 26 -4.884 23.552 -2.231 203 HE1 PHE 26 HE1 PHE 26 -3.096 24.567 2.238 204 HE2 PHE 26 HE2 PHE 26 -2.588 22.885 -1.647 205 HZ PHE 26 HZ PHE 26 -1.692 23.392 0.591 206 H GLU 27 H GLU 27 -7.746 26.019 -3.212 207 HA GLU 27 HA GLU 27 -5.437 26.349 -4.744 208 1HB GLU 27 1HB GLU 27 -8.322 26.796 -5.522 209 2HB GLU 27 2HB GLU 27 -6.986 26.666 -6.658 210 1HG GLU 27 1HG GLU 27 -6.542 24.385 -5.779 211 2HG GLU 27 2HG GLU 27 -8.001 24.531 -4.799 212 H LYS 28 H LYS 28 -8.010 28.723 -4.057 213 HA LYS 28 HA LYS 28 -6.832 30.807 -5.540 214 1HB LYS 28 1HB LYS 28 -9.230 30.671 -4.833 215 2HB LYS 28 2HB LYS 28 -8.720 31.100 -3.205 216 1HG LYS 28 1HG LYS 28 -7.980 33.246 -3.915 217 2HG LYS 28 2HG LYS 28 -8.179 32.816 -5.616 218 1HD LYS 28 1HD LYS 28 -10.521 32.708 -3.759 219 2HD LYS 28 2HD LYS 28 -9.993 34.254 -4.425 220 1HE LYS 28 1HE LYS 28 -10.523 31.861 -6.162 221 2HE LYS 28 2HE LYS 28 -11.802 32.983 -5.700 222 1HZ LYS 28 1HZ LYS 28 -9.378 33.554 -7.303 223 2HZ LYS 28 2HZ LYS 28 -10.339 34.778 -6.640 224 3HZ LYS 28 3HZ LYS 28 -10.997 33.707 -7.771 225 H VAL 29 H VAL 29 -6.794 30.206 -2.000 226 HA VAL 29 HA VAL 29 -5.258 32.476 -1.365 227 HB VAL 29 HB VAL 29 -5.469 29.870 0.147 228 1HG1 VAL 29 1HG1 VAL 29 -4.771 31.140 2.095 229 2HG1 VAL 29 2HG1 VAL 29 -4.629 32.600 1.118 230 3HG1 VAL 29 3HG1 VAL 29 -3.541 31.240 0.832 231 1HG2 VAL 29 1HG2 VAL 29 -6.946 32.262 1.032 232 2HG2 VAL 29 2HG2 VAL 29 -7.423 30.564 1.037 233 3HG2 VAL 29 3HG2 VAL 29 -7.525 31.505 -0.452 234 H VAL 30 H VAL 30 -4.314 29.130 -2.033 235 HA VAL 30 HA VAL 30 -1.566 29.532 -1.444 236 HB VAL 30 HB VAL 30 -2.852 27.356 -3.101 237 1HG1 VAL 30 1HG1 VAL 30 -0.828 26.073 -2.674 238 2HG1 VAL 30 2HG1 VAL 30 -0.132 27.435 -1.797 239 3HG1 VAL 30 3HG1 VAL 30 -0.441 27.567 -3.528 240 1HG2 VAL 30 1HG2 VAL 30 -3.069 26.098 -1.156 241 2HG2 VAL 30 2HG2 VAL 30 -3.533 27.718 -0.637 242 3HG2 VAL 30 3HG2 VAL 30 -1.923 27.100 -0.265 243 H LYS 31 H LYS 31 -3.358 29.478 -4.538 244 HA LYS 31 HA LYS 31 -1.069 29.837 -6.153 245 1HB LYS 31 1HB LYS 31 -3.263 29.052 -7.003 246 2HB LYS 31 2HB LYS 31 -3.926 30.655 -6.721 247 1HG LYS 31 1HG LYS 31 -2.079 31.488 -8.286 248 2HG LYS 31 2HG LYS 31 -1.899 29.795 -8.751 249 1HD LYS 31 1HD LYS 31 -4.218 29.705 -9.444 250 2HD LYS 31 2HD LYS 31 -4.478 31.357 -8.880 251 1HE LYS 31 1HE LYS 31 -2.932 32.201 -10.541 252 2HE LYS 31 2HE LYS 31 -2.549 30.560 -11.056 253 1HZ LYS 31 1HZ LYS 31 -4.639 30.292 -12.009 254 2HZ LYS 31 2HZ LYS 31 -4.219 31.875 -12.430 255 3HZ LYS 31 3HZ LYS 31 -5.312 31.598 -11.169 256 H GLN 32 H GLN 32 -3.391 32.113 -4.753 257 HA GLN 32 HA GLN 32 -2.295 34.443 -5.905 258 1HB GLN 32 1HB GLN 32 -4.579 34.190 -4.836 259 2HB GLN 32 2HB GLN 32 -3.773 34.304 -3.278 260 1HG GLN 32 1HG GLN 32 -4.379 36.475 -3.575 261 2HG GLN 32 2HG GLN 32 -2.780 36.501 -4.318 262 1HE2 GLN 32 1HE2 GLN 32 -2.905 37.893 -5.936 263 2HE2 GLN 32 2HE2 GLN 32 -4.110 37.896 -7.175 264 H PHE 33 H PHE 33 -1.713 32.841 -2.771 265 HA PHE 33 HA PHE 33 0.034 34.822 -1.785 266 1HB PHE 33 1HB PHE 33 -0.910 33.558 -0.125 267 2HB PHE 33 2HB PHE 33 -0.751 32.057 -1.019 268 HD1 PHE 33 HD1 PHE 33 1.633 34.628 0.333 269 HD2 PHE 33 HD2 PHE 33 0.526 30.533 0.005 270 HE1 PHE 33 HE1 PHE 33 3.569 33.994 1.723 271 HE2 PHE 33 HE2 PHE 33 2.463 29.891 1.379 272 HZ PHE 33 HZ PHE 33 3.989 31.617 2.240 273 H PHE 34 H PHE 34 0.689 31.716 -3.402 274 HA PHE 34 HA PHE 34 3.520 32.150 -3.230 275 1HB PHE 34 1HB PHE 34 1.829 30.005 -4.456 276 2HB PHE 34 2HB PHE 34 3.562 30.084 -4.776 277 HD1 PHE 34 HD1 PHE 34 1.255 28.522 -2.781 278 HD2 PHE 34 HD2 PHE 34 4.918 30.665 -2.468 279 HE1 PHE 34 HE1 PHE 34 1.699 27.447 -0.609 280 HE2 PHE 34 HE2 PHE 34 5.372 29.591 -0.306 281 HZ PHE 34 HZ PHE 34 3.763 27.982 0.631 282 H ASN 35 H ASN 35 1.088 32.733 -5.701 283 HA ASN 35 HA ASN 35 2.737 32.985 -7.935 284 1HB ASN 35 1HB ASN 35 0.148 34.284 -7.170 285 2HB ASN 35 2HB ASN 35 1.000 34.843 -8.607 286 1HD2 ASN 35 1HD2 ASN 35 1.147 31.504 -7.582 287 2HD2 ASN 35 2HD2 ASN 35 0.180 30.873 -8.864 288 H ASP 36 H ASP 36 2.351 35.095 -5.216 289 HA ASP 36 HA ASP 36 3.441 37.462 -6.253 290 1HB ASP 36 1HB ASP 36 3.595 36.459 -3.405 291 2HB ASP 36 2HB ASP 36 3.784 38.127 -3.938 292 H ASN 37 H ASN 37 4.937 34.495 -5.574 293 HA ASN 37 HA ASN 37 7.589 35.762 -5.403 294 1HB ASN 37 1HB ASN 37 8.456 33.773 -4.441 295 2HB ASN 37 2HB ASN 37 6.934 34.106 -3.623 296 1HD2 ASN 37 1HD2 ASN 37 5.765 32.387 -3.277 297 2HD2 ASN 37 2HD2 ASN 37 5.699 30.973 -4.268 298 H GLY 38 H GLY 38 5.587 33.970 -7.551 299 1HA GLY 38 1HA GLY 38 6.492 34.224 -9.891 300 2HA GLY 38 2HA GLY 38 7.941 33.460 -9.266 301 H VAL 39 H VAL 39 5.014 32.201 -7.996 302 HA VAL 39 HA VAL 39 5.447 29.734 -9.479 303 HB VAL 39 HB VAL 39 3.414 30.268 -7.309 304 1HG1 VAL 39 1HG1 VAL 39 3.557 27.774 -7.051 305 2HG1 VAL 39 2HG1 VAL 39 4.482 27.741 -8.553 306 3HG1 VAL 39 3HG1 VAL 39 2.819 28.327 -8.555 307 1HG2 VAL 39 1HG2 VAL 39 5.422 30.648 -6.212 308 2HG2 VAL 39 2HG2 VAL 39 6.290 29.454 -7.175 309 3HG2 VAL 39 3HG2 VAL 39 5.150 28.928 -5.938 310 H ASP 40 H ASP 40 3.960 28.774 -10.858 311 HA ASP 40 HA ASP 40 1.388 30.014 -11.310 312 1HB ASP 40 1HB ASP 40 3.520 30.019 -13.454 313 2HB ASP 40 2HB ASP 40 1.817 30.361 -13.744 314 H GLY 41 H GLY 41 0.451 28.901 -13.459 315 1HA GLY 41 1HA GLY 41 0.542 26.767 -14.710 316 2HA GLY 41 2HA GLY 41 1.028 26.011 -13.200 317 H GLU 42 H GLU 42 -0.666 24.573 -13.043 318 HA GLU 42 HA GLU 42 -3.194 25.735 -12.201 319 1HB GLU 42 1HB GLU 42 -2.891 23.957 -14.604 320 2HB GLU 42 2HB GLU 42 -4.388 23.981 -13.684 321 1HG GLU 42 1HG GLU 42 -4.213 26.564 -14.026 322 2HG GLU 42 2HG GLU 42 -3.161 26.110 -15.365 323 H TRP 43 H TRP 43 -4.577 24.222 -11.092 324 HA TRP 43 HA TRP 43 -3.091 22.391 -9.478 325 1HB TRP 43 1HB TRP 43 -5.998 23.150 -9.626 326 2HB TRP 43 2HB TRP 43 -5.438 21.859 -8.568 327 HD1 TRP 43 HD1 TRP 43 -5.709 25.593 -8.791 328 HE1 TRP 43 HE1 TRP 43 -4.728 26.664 -6.668 329 HE3 TRP 43 HE3 TRP 43 -3.463 21.471 -6.765 330 HZ2 TRP 43 HZ2 TRP 43 -3.202 25.868 -4.429 331 HZ3 TRP 43 HZ3 TRP 43 -2.263 21.710 -4.631 332 HH2 TRP 43 HH2 TRP 43 -2.135 23.864 -3.489 333 H THR 44 H THR 44 -2.593 20.394 -9.949 334 HA THR 44 HA THR 44 -4.304 18.925 -11.838 335 HB THR 44 HB THR 44 -2.316 17.582 -12.384 336 HG1 THR 44 HG1 THR 44 -0.593 17.702 -11.213 337 1HG2 THR 44 1HG2 THR 44 -2.819 19.993 -13.384 338 2HG2 THR 44 2HG2 THR 44 -1.421 19.031 -13.863 339 3HG2 THR 44 3HG2 THR 44 -1.240 20.316 -12.668 340 H TYR 45 H TYR 45 -5.008 16.937 -11.330 341 HA TYR 45 HA TYR 45 -5.148 16.230 -8.565 342 1HB TYR 45 1HB TYR 45 -6.173 14.998 -11.102 343 2HB TYR 45 2HB TYR 45 -6.245 14.097 -9.592 344 HD1 TYR 45 HD1 TYR 45 -7.733 16.722 -11.573 345 HD2 TYR 45 HD2 TYR 45 -7.548 15.040 -7.669 346 HE1 TYR 45 HE1 TYR 45 -9.818 17.883 -10.980 347 HE2 TYR 45 HE2 TYR 45 -9.632 16.195 -7.066 348 HH TYR 45 HH TYR 45 -11.739 17.419 -9.187 349 H ASP 46 H ASP 46 -4.266 14.447 -7.508 350 HA ASP 46 HA ASP 46 -1.657 13.692 -8.369 351 1HB ASP 46 1HB ASP 46 -3.408 12.940 -6.048 352 2HB ASP 46 2HB ASP 46 -1.918 12.054 -6.356 353 H ASP 47 H ASP 47 -0.904 11.518 -8.747 354 HA ASP 47 HA ASP 47 -2.514 10.091 -10.587 355 1HB ASP 47 1HB ASP 47 0.061 9.307 -9.204 356 2HB ASP 47 2HB ASP 47 -0.672 8.407 -10.529 357 H ALA 48 H ALA 48 -3.748 8.291 -10.369 358 HA ALA 48 HA ALA 48 -4.961 7.689 -7.957 359 1HB ALA 48 1HB ALA 48 -6.050 7.108 -9.984 360 2HB ALA 48 2HB ALA 48 -5.747 5.604 -9.112 361 3HB ALA 48 3HB ALA 48 -4.720 6.057 -10.472 362 H THR 49 H THR 49 -4.641 6.277 -6.341 363 HA THR 49 HA THR 49 -2.378 4.412 -6.524 364 HB THR 49 HB THR 49 -2.999 6.073 -4.076 365 HG1 THR 49 HG1 THR 49 -2.143 7.543 -5.386 366 1HG2 THR 49 1HG2 THR 49 -1.832 3.978 -3.604 367 2HG2 THR 49 2HG2 THR 49 -0.817 5.387 -3.296 368 3HG2 THR 49 3HG2 THR 49 -0.575 4.428 -4.756 369 H LYS 50 H LYS 50 -2.503 2.604 -5.038 370 HA LYS 50 HA LYS 50 -5.281 2.024 -4.238 371 1HB LYS 50 1HB LYS 50 -3.965 0.676 -6.124 372 2HB LYS 50 2HB LYS 50 -3.350 -0.190 -4.722 373 1HG LYS 50 1HG LYS 50 -5.182 -1.451 -5.285 374 2HG LYS 50 2HG LYS 50 -5.859 -0.370 -4.065 375 1HD LYS 50 1HD LYS 50 -7.402 -0.423 -5.873 376 2HD LYS 50 2HD LYS 50 -6.575 1.133 -5.953 377 1HE LYS 50 1HE LYS 50 -6.264 0.613 -8.113 378 2HE LYS 50 2HE LYS 50 -4.962 -0.408 -7.504 379 1HZ LYS 50 1HZ LYS 50 -6.278 -2.305 -7.663 380 2HZ LYS 50 2HZ LYS 50 -6.654 -1.450 -9.074 381 3HZ LYS 50 3HZ LYS 50 -7.723 -1.430 -7.763 382 H THR 51 H THR 51 -5.657 0.969 -2.298 383 HA THR 51 HA THR 51 -3.388 0.512 -0.511 384 HB THR 51 HB THR 51 -5.727 2.341 0.074 385 HG1 THR 51 HG1 THR 51 -2.919 2.717 0.064 386 1HG2 THR 51 1HG2 THR 51 -3.660 1.282 1.988 387 2HG2 THR 51 2HG2 THR 51 -5.407 1.058 2.074 388 3HG2 THR 51 3HG2 THR 51 -4.711 2.662 2.304 389 H PHE 52 H PHE 52 -3.599 -1.384 0.502 390 HA PHE 52 HA PHE 52 -6.051 -2.878 0.233 391 1HB PHE 52 1HB PHE 52 -3.795 -3.914 -0.054 392 2HB PHE 52 2HB PHE 52 -3.511 -3.671 1.667 393 HD1 PHE 52 HD1 PHE 52 -5.512 -5.505 -0.814 394 HD2 PHE 52 HD2 PHE 52 -4.494 -5.097 3.297 395 HE1 PHE 52 HE1 PHE 52 -6.603 -7.659 -0.335 396 HE2 PHE 52 HE2 PHE 52 -5.579 -7.250 3.784 397 HZ PHE 52 HZ PHE 52 -6.635 -8.534 1.968 398 H THR 53 H THR 53 -7.669 -2.752 1.635 399 HA THR 53 HA THR 53 -7.157 -1.772 4.338 400 HB THR 53 HB THR 53 -9.767 -2.338 2.912 401 HG1 THR 53 HG1 THR 53 -9.867 -0.039 2.850 402 1HG2 THR 53 1HG2 THR 53 -10.200 -0.490 4.937 403 2HG2 THR 53 2HG2 THR 53 -9.228 -1.762 5.680 404 3HG2 THR 53 3HG2 THR 53 -10.750 -2.165 4.885 405 H VAL 54 H VAL 54 -6.952 -3.118 6.010 406 HA VAL 54 HA VAL 54 -7.209 -5.933 5.687 407 HB VAL 54 HB VAL 54 -7.020 -4.543 8.348 408 1HG1 VAL 54 1HG1 VAL 54 -6.140 -7.223 7.297 409 2HG1 VAL 54 2HG1 VAL 54 -7.346 -6.888 8.541 410 3HG1 VAL 54 3HG1 VAL 54 -5.639 -6.577 8.861 411 1HG2 VAL 54 1HG2 VAL 54 -4.896 -4.915 6.260 412 2HG2 VAL 54 2HG2 VAL 54 -4.493 -4.831 7.976 413 3HG2 VAL 54 3HG2 VAL 54 -5.295 -3.471 7.191 414 H THR 55 H THR 55 -8.572 -7.354 6.913 415 HA THR 55 HA THR 55 -10.985 -6.221 8.074 416 HB THR 55 HB THR 55 -11.090 -8.151 5.751 417 HG1 THR 55 HG1 THR 55 -12.098 -6.395 4.695 418 1HG2 THR 55 1HG2 THR 55 -13.372 -8.241 5.918 419 2HG2 THR 55 2HG2 THR 55 -13.471 -6.760 6.870 420 3HG2 THR 55 3HG2 THR 55 -12.897 -8.251 7.616 421 H GLU 56 H GLU 56 -10.027 -9.414 6.854 422 HA GLU 56 HA GLU 56 -10.625 -10.530 9.498 423 1HB GLU 56 1HB GLU 56 -10.558 -11.661 6.728 424 2HB GLU 56 2HB GLU 56 -10.331 -12.736 8.101 425 1HG GLU 56 1HG GLU 56 -12.488 -11.783 9.023 426 2HG GLU 56 2HG GLU 56 -12.725 -11.054 7.435 427 1H MET 1 1H MET 1 -10.197 17.440 2.141 428 2H MET 1 2H MET 1 -9.827 15.764 2.094 429 3H MET 1 3H MET 1 -11.185 16.370 1.235 430 HA MET 1 HA MET 1 -9.456 15.938 -0.276 431 1HB MET 1 1HB MET 1 -10.873 18.257 -0.031 432 2HB MET 1 2HB MET 1 -9.230 18.876 -0.107 433 1HG MET 1 1HG MET 1 -10.198 16.890 -2.119 434 2HG MET 1 2HG MET 1 -10.589 18.601 -2.282 435 1HE MET 1 1HE MET 1 -8.315 16.156 -3.849 436 2HE MET 1 2HE MET 1 -7.949 15.879 -2.146 437 3HE MET 1 3HE MET 1 -6.702 16.504 -3.225 438 H GLN 2 H GLN 2 -7.419 15.290 -0.208 439 HA GLN 2 HA GLN 2 -5.521 16.538 1.607 440 1HB GLN 2 1HB GLN 2 -5.701 14.040 1.310 441 2HB GLN 2 2HB GLN 2 -5.044 14.248 -0.307 442 1HG GLN 2 1HG GLN 2 -3.027 15.277 0.705 443 2HG GLN 2 2HG GLN 2 -3.681 14.891 2.296 444 1HE2 GLN 2 1HE2 GLN 2 -4.443 12.492 2.393 445 2HE2 GLN 2 2HE2 GLN 2 -3.283 11.344 1.828 446 H TYR 3 H TYR 3 -4.147 18.082 1.023 447 HA TYR 3 HA TYR 3 -3.750 18.556 -1.850 448 1HB TYR 3 1HB TYR 3 -3.844 20.392 0.516 449 2HB TYR 3 2HB TYR 3 -2.994 20.881 -0.947 450 HD1 TYR 3 HD1 TYR 3 -6.184 20.569 0.663 451 HD2 TYR 3 HD2 TYR 3 -4.290 20.919 -3.130 452 HE1 TYR 3 HE1 TYR 3 -8.318 21.282 -0.328 453 HE2 TYR 3 HE2 TYR 3 -6.419 21.636 -4.132 454 HH TYR 3 HH TYR 3 -8.537 22.650 -3.431 455 H LYS 4 H LYS 4 -1.866 18.272 -2.705 456 HA LYS 4 HA LYS 4 0.489 17.959 -0.962 457 1HB LYS 4 1HB LYS 4 -0.449 16.564 -3.362 458 2HB LYS 4 2HB LYS 4 1.248 17.016 -3.440 459 1HG LYS 4 1HG LYS 4 1.785 15.746 -1.537 460 2HG LYS 4 2HG LYS 4 0.090 15.568 -1.080 461 1HD LYS 4 1HD LYS 4 0.561 13.502 -2.007 462 2HD LYS 4 2HD LYS 4 -0.130 14.371 -3.379 463 1HE LYS 4 1HE LYS 4 2.151 14.921 -4.138 464 2HE LYS 4 2HE LYS 4 2.804 13.976 -2.800 465 1HZ LYS 4 1HZ LYS 4 2.840 12.486 -4.537 466 2HZ LYS 4 2HZ LYS 4 1.394 13.047 -5.212 467 3HZ LYS 4 3HZ LYS 4 1.361 12.105 -3.808 468 H VAL 5 H VAL 5 1.925 19.546 -0.958 469 HA VAL 5 HA VAL 5 2.403 21.061 -3.423 470 HB VAL 5 HB VAL 5 2.020 22.440 -0.766 471 1HG1 VAL 5 1HG1 VAL 5 3.369 23.843 -1.989 472 2HG1 VAL 5 2HG1 VAL 5 1.770 24.403 -2.479 473 3HG1 VAL 5 3HG1 VAL 5 2.690 23.328 -3.533 474 1HG2 VAL 5 1HG2 VAL 5 0.104 21.991 -3.035 475 2HG2 VAL 5 2HG2 VAL 5 -0.064 23.355 -1.931 476 3HG2 VAL 5 3HG2 VAL 5 -0.138 21.706 -1.312 477 H ILE 6 H ILE 6 4.482 21.369 -3.819 478 HA ILE 6 HA ILE 6 6.438 20.603 -1.791 479 HB ILE 6 HB ILE 6 6.956 21.324 -4.675 480 1HG1 ILE 6 1HG1 ILE 6 6.500 18.582 -3.475 481 2HG1 ILE 6 2HG1 ILE 6 5.353 19.443 -4.498 482 1HG2 ILE 6 1HG2 ILE 6 8.576 19.810 -2.635 483 2HG2 ILE 6 2HG2 ILE 6 8.928 21.410 -3.290 484 3HG2 ILE 6 3HG2 ILE 6 9.004 19.992 -4.335 485 1HD1 ILE 6 1HD1 ILE 6 6.975 17.615 -5.467 486 2HD1 ILE 6 2HD1 ILE 6 8.090 18.978 -5.546 487 3HD1 ILE 6 3HD1 ILE 6 6.547 19.052 -6.396 488 H LEU 7 H LEU 7 7.315 22.124 -0.536 489 HA LEU 7 HA LEU 7 7.920 24.744 -1.718 490 1HB LEU 7 1HB LEU 7 5.818 24.493 -0.085 491 2HB LEU 7 2HB LEU 7 7.071 24.671 1.127 492 HG LEU 7 HG LEU 7 7.761 26.796 -0.092 493 1HD1 LEU 7 1HD1 LEU 7 6.273 27.815 -1.601 494 2HD1 LEU 7 2HD1 LEU 7 5.002 26.638 -1.268 495 3HD1 LEU 7 3HD1 LEU 7 6.443 26.151 -2.162 496 1HD2 LEU 7 1HD2 LEU 7 6.643 26.952 2.007 497 2HD2 LEU 7 2HD2 LEU 7 5.087 26.562 1.274 498 3HD2 LEU 7 3HD2 LEU 7 5.869 28.101 0.914 499 H ASN 8 H ASN 8 10.055 24.903 -1.678 500 HA ASN 8 HA ASN 8 11.472 24.623 0.823 501 1HB ASN 8 1HB ASN 8 13.210 23.110 -0.188 502 2HB ASN 8 2HB ASN 8 11.652 22.346 0.114 503 1HD2 ASN 8 1HD2 ASN 8 13.277 21.103 -1.570 504 2HD2 ASN 8 2HD2 ASN 8 12.743 21.273 -3.205 505 H GLY 9 H GLY 9 11.806 25.057 -2.673 506 1HA GLY 9 1HA GLY 9 12.783 26.804 -3.837 507 2HA GLY 9 2HA GLY 9 13.126 27.586 -2.302 508 H LYS 10 H LYS 10 14.172 24.839 -4.302 509 HA LYS 10 HA LYS 10 16.901 25.616 -4.194 510 1HB LYS 10 1HB LYS 10 16.158 24.363 -1.905 511 2HB LYS 10 2HB LYS 10 16.644 22.983 -2.880 512 1HG LYS 10 1HG LYS 10 18.558 23.607 -1.688 513 2HG LYS 10 2HG LYS 10 18.805 24.236 -3.318 514 1HD LYS 10 1HD LYS 10 18.518 26.424 -2.662 515 2HD LYS 10 2HD LYS 10 17.526 25.988 -1.270 516 1HE LYS 10 1HE LYS 10 20.321 25.033 -1.241 517 2HE LYS 10 2HE LYS 10 20.089 26.774 -1.082 518 1HZ LYS 10 1HZ LYS 10 18.532 26.302 0.759 519 2HZ LYS 10 2HZ LYS 10 20.112 25.796 1.081 520 3HZ LYS 10 3HZ LYS 10 18.933 24.662 0.653 521 H THR 11 H THR 11 16.665 25.361 -6.431 522 HA THR 11 HA THR 11 15.752 22.988 -7.667 523 HB THR 11 HB THR 11 15.798 25.126 -8.848 524 HG1 THR 11 HG1 THR 11 15.918 23.858 -10.500 525 1HG2 THR 11 1HG2 THR 11 17.544 26.471 -8.698 526 2HG2 THR 11 2HG2 THR 11 18.418 25.363 -9.756 527 3HG2 THR 11 3HG2 THR 11 18.542 25.192 -8.006 528 H LEU 12 H LEU 12 17.095 21.590 -9.073 529 HA LEU 12 HA LEU 12 19.279 20.503 -7.557 530 1HB LEU 12 1HB LEU 12 17.459 19.337 -9.087 531 2HB LEU 12 2HB LEU 12 18.667 19.599 -10.330 532 HG LEU 12 HG LEU 12 20.298 18.403 -8.746 533 1HD1 LEU 12 1HD1 LEU 12 19.423 17.002 -7.069 534 2HD1 LEU 12 2HD1 LEU 12 17.761 17.282 -7.590 535 3HD1 LEU 12 3HD1 LEU 12 18.671 18.576 -6.809 536 1HD2 LEU 12 1HD2 LEU 12 19.172 17.522 -10.865 537 2HD2 LEU 12 2HD2 LEU 12 18.076 16.668 -9.777 538 3HD2 LEU 12 3HD2 LEU 12 19.807 16.334 -9.725 539 H LYS 13 H LYS 13 18.904 22.423 -10.459 540 HA LYS 13 HA LYS 13 21.783 22.907 -10.471 541 1HB LYS 13 1HB LYS 13 21.339 21.065 -12.088 542 2HB LYS 13 2HB LYS 13 20.267 22.142 -12.971 543 1HG LYS 13 1HG LYS 13 22.085 23.592 -13.536 544 2HG LYS 13 2HG LYS 13 23.188 22.687 -12.496 545 1HD LYS 13 1HD LYS 13 22.470 20.671 -14.009 546 2HD LYS 13 2HD LYS 13 22.036 21.946 -15.149 547 1HE LYS 13 1HE LYS 13 24.736 21.769 -13.832 548 2HE LYS 13 2HE LYS 13 24.369 20.993 -15.372 549 1HZ LYS 13 1HZ LYS 13 23.552 23.388 -15.971 550 2HZ LYS 13 2HZ LYS 13 25.191 22.985 -16.078 551 3HZ LYS 13 3HZ LYS 13 24.618 23.845 -14.739 552 H GLY 14 H GLY 14 22.168 25.018 -10.592 553 1HA GLY 14 1HA GLY 14 21.730 27.014 -12.085 554 2HA GLY 14 2HA GLY 14 20.040 26.751 -11.681 555 H GLU 15 H GLU 15 19.264 27.356 -9.670 556 HA GLU 15 HA GLU 15 19.127 28.584 -7.763 557 1HB GLU 15 1HB GLU 15 20.999 26.910 -7.161 558 2HB GLU 15 2HB GLU 15 22.094 28.267 -7.395 559 1HG GLU 15 1HG GLU 15 21.546 28.020 -5.058 560 2HG GLU 15 2HG GLU 15 20.887 29.531 -5.684 561 H THR 16 H THR 16 19.523 29.950 -10.219 562 HA THR 16 HA THR 16 21.285 32.184 -9.535 563 HB THR 16 HB THR 16 19.730 31.773 -12.091 564 HG1 THR 16 HG1 THR 16 21.117 30.297 -12.564 565 1HG2 THR 16 1HG2 THR 16 21.893 33.061 -12.880 566 2HG2 THR 16 2HG2 THR 16 21.834 33.668 -11.225 567 3HG2 THR 16 3HG2 THR 16 20.459 33.909 -12.303 568 H THR 17 H THR 17 17.915 31.568 -10.491 569 HA THR 17 HA THR 17 17.100 34.271 -10.008 570 HB THR 17 HB THR 17 14.832 33.443 -10.409 571 HG1 THR 17 HG1 THR 17 15.992 30.862 -10.539 572 1HG2 THR 17 1HG2 THR 17 16.485 33.738 -12.335 573 2HG2 THR 17 2HG2 THR 17 15.017 32.807 -12.634 574 3HG2 THR 17 3HG2 THR 17 16.551 31.976 -12.368 575 H THR 18 H THR 18 15.794 35.053 -8.329 576 HA THR 18 HA THR 18 16.237 33.716 -5.791 577 HB THR 18 HB THR 18 15.212 35.825 -4.855 578 HG1 THR 18 HG1 THR 18 14.168 36.984 -6.240 579 1HG2 THR 18 1HG2 THR 18 17.129 37.297 -6.069 580 2HG2 THR 18 2HG2 THR 18 17.722 35.661 -6.349 581 3HG2 THR 18 3HG2 THR 18 17.407 36.215 -4.705 582 H GLU 19 H GLU 19 14.536 33.385 -4.240 583 HA GLU 19 HA GLU 19 11.801 33.343 -5.222 584 1HB GLU 19 1HB GLU 19 11.462 30.980 -4.700 585 2HB GLU 19 2HB GLU 19 12.689 31.174 -5.944 586 1HG GLU 19 1HG GLU 19 13.314 30.774 -3.031 587 2HG GLU 19 2HG GLU 19 13.203 29.462 -4.204 588 H ALA 20 H ALA 20 10.379 32.273 -3.360 589 HA ALA 20 HA ALA 20 11.447 32.984 -0.732 590 1HB ALA 20 1HB ALA 20 10.452 35.039 -1.388 591 2HB ALA 20 2HB ALA 20 9.355 34.279 -0.235 592 3HB ALA 20 3HB ALA 20 8.997 34.226 -1.960 593 H VAL 21 H VAL 21 10.570 30.480 -2.144 594 HA VAL 21 HA VAL 21 8.216 29.710 -0.600 595 HB VAL 21 HB VAL 21 8.466 27.527 -1.848 596 1HG1 VAL 21 1HG1 VAL 21 7.265 28.317 -3.645 597 2HG1 VAL 21 2HG1 VAL 21 8.271 29.754 -3.824 598 3HG1 VAL 21 3HG1 VAL 21 7.100 29.656 -2.508 599 1HG2 VAL 21 1HG2 VAL 21 10.982 28.315 -2.368 600 2HG2 VAL 21 2HG2 VAL 21 10.188 28.854 -3.847 601 3HG2 VAL 21 3HG2 VAL 21 10.101 27.159 -3.366 602 H ASP 22 H ASP 22 9.222 29.782 1.479 603 HA ASP 22 HA ASP 22 11.234 27.707 1.997 604 1HB ASP 22 1HB ASP 22 11.523 30.153 2.746 605 2HB ASP 22 2HB ASP 22 10.313 29.782 3.971 606 H ALA 23 H ALA 23 10.945 26.093 3.417 607 HA ALA 23 HA ALA 23 8.454 24.953 3.753 608 1HB ALA 23 1HB ALA 23 10.275 24.226 5.883 609 2HB ALA 23 2HB ALA 23 11.077 24.286 4.312 610 3HB ALA 23 3HB ALA 23 9.660 23.258 4.541 611 H ALA 24 H ALA 24 10.263 27.027 5.984 612 HA ALA 24 HA ALA 24 8.451 26.842 8.148 613 1HB ALA 24 1HB ALA 24 10.870 27.679 8.161 614 2HB ALA 24 2HB ALA 24 9.705 28.531 9.173 615 3HB ALA 24 3HB ALA 24 10.205 29.223 7.630 616 H THR 25 H THR 25 8.603 28.865 5.302 617 HA THR 25 HA THR 25 6.783 30.865 6.087 618 HB THR 25 HB THR 25 7.547 29.781 3.371 619 HG1 THR 25 HG1 THR 25 8.235 32.184 4.705 620 1HG2 THR 25 1HG2 THR 25 5.786 30.850 2.534 621 2HG2 THR 25 2HG2 THR 25 6.700 32.316 2.894 622 3HG2 THR 25 3HG2 THR 25 5.485 31.733 4.032 623 H PHE 26 H PHE 26 6.375 27.679 4.699 624 HA PHE 26 HA PHE 26 3.623 27.868 4.081 625 1HB PHE 26 1HB PHE 26 5.281 26.083 3.309 626 2HB PHE 26 2HB PHE 26 5.040 25.328 4.881 627 HD1 PHE 26 HD1 PHE 26 3.122 26.576 1.944 628 HD2 PHE 26 HD2 PHE 26 3.350 23.781 5.144 629 HE1 PHE 26 HE1 PHE 26 1.124 25.431 1.081 630 HE2 PHE 26 HE2 PHE 26 1.352 22.629 4.286 631 HZ PHE 26 HZ PHE 26 0.236 23.454 2.251 632 H GLU 27 H GLU 27 5.342 26.629 6.929 633 HA GLU 27 HA GLU 27 3.120 25.768 8.380 634 1HB GLU 27 1HB GLU 27 5.755 26.850 9.390 635 2HB GLU 27 2HB GLU 27 4.582 25.987 10.375 636 1HG GLU 27 1HG GLU 27 4.832 24.036 8.857 637 2HG GLU 27 2HG GLU 27 6.124 24.906 8.030 638 H LYS 28 H LYS 28 4.789 28.918 8.525 639 HA LYS 28 HA LYS 28 3.092 30.013 10.487 640 1HB LYS 28 1HB LYS 28 5.376 30.840 9.887 641 2HB LYS 28 2HB LYS 28 4.686 31.534 8.426 642 1HG LYS 28 1HG LYS 28 3.346 33.047 9.680 643 2HG LYS 28 2HG LYS 28 3.744 32.233 11.195 644 1HD LYS 28 1HD LYS 28 5.917 33.397 9.499 645 2HD LYS 28 2HD LYS 28 4.966 34.441 10.557 646 1HE LYS 28 1HE LYS 28 6.293 31.936 11.554 647 2HE LYS 28 2HE LYS 28 7.140 33.481 11.492 648 1HZ LYS 28 1HZ LYS 28 4.742 32.785 13.084 649 2HZ LYS 28 2HZ LYS 28 5.233 34.385 12.838 650 3HZ LYS 28 3HZ LYS 28 6.252 33.304 13.645 651 H VAL 29 H VAL 29 3.077 30.470 6.926 652 HA VAL 29 HA VAL 29 0.883 32.232 6.896 653 HB VAL 29 HB VAL 29 1.824 30.370 4.713 654 1HG1 VAL 29 1HG1 VAL 29 0.676 31.861 3.180 655 2HG1 VAL 29 2HG1 VAL 29 0.131 32.861 4.527 656 3HG1 VAL 29 3HG1 VAL 29 -0.465 31.208 4.359 657 1HG2 VAL 29 1HG2 VAL 29 2.439 33.252 4.623 658 2HG2 VAL 29 2HG2 VAL 29 3.420 31.864 4.151 659 3HG2 VAL 29 3HG2 VAL 29 3.296 32.319 5.850 660 H VAL 30 H VAL 30 1.060 28.716 6.531 661 HA VAL 30 HA VAL 30 -1.701 28.393 5.954 662 HB VAL 30 HB VAL 30 0.277 26.346 6.976 663 1HG1 VAL 30 1HG1 VAL 30 -1.264 24.675 6.104 664 2HG1 VAL 30 2HG1 VAL 30 -2.391 25.943 5.622 665 3HG1 VAL 30 3HG1 VAL 30 -2.057 25.663 7.331 666 1HG2 VAL 30 1HG2 VAL 30 0.779 25.830 4.762 667 2HG2 VAL 30 2HG2 VAL 30 0.697 27.592 4.755 668 3HG2 VAL 30 3HG2 VAL 30 -0.659 26.644 4.145 669 H LYS 31 H LYS 31 0.162 28.013 8.983 670 HA LYS 31 HA LYS 31 -2.045 27.162 10.522 671 1HB LYS 31 1HB LYS 31 0.320 26.890 11.215 672 2HB LYS 31 2HB LYS 31 0.439 28.629 11.435 673 1HG LYS 31 1HG LYS 31 -1.502 28.362 13.085 674 2HG LYS 31 2HG LYS 31 -1.123 26.639 13.038 675 1HD LYS 31 1HD LYS 31 1.139 27.082 13.782 676 2HD LYS 31 2HD LYS 31 0.845 28.821 13.727 677 1HE LYS 31 1HE LYS 31 -0.805 28.632 15.486 678 2HE LYS 31 2HE LYS 31 -0.639 26.877 15.492 679 1HZ LYS 31 1HZ LYS 31 1.478 27.008 16.421 680 2HZ LYS 31 2HZ LYS 31 0.605 28.188 17.262 681 3HZ LYS 31 3HZ LYS 31 1.669 28.644 16.029 682 H GLN 32 H GLN 32 -0.616 30.349 9.946 683 HA GLN 32 HA GLN 32 -2.329 31.788 11.666 684 1HB GLN 32 1HB GLN 32 -0.132 32.575 10.677 685 2HB GLN 32 2HB GLN 32 -1.007 32.875 9.182 686 1HG GLN 32 1HG GLN 32 -1.092 34.946 10.118 687 2HG GLN 32 2HG GLN 32 -2.583 34.258 10.761 688 1HE2 GLN 32 1HE2 GLN 32 -2.822 35.095 12.714 689 2HE2 GLN 32 2HE2 GLN 32 -1.622 35.116 13.956 690 H PHE 33 H PHE 33 -2.530 31.054 8.180 691 HA PHE 33 HA PHE 33 -4.851 32.588 7.724 692 1HB PHE 33 1HB PHE 33 -3.638 32.213 5.816 693 2HB PHE 33 2HB PHE 33 -3.280 30.547 6.234 694 HD1 PHE 33 HD1 PHE 33 -6.407 32.522 5.568 695 HD2 PHE 33 HD2 PHE 33 -4.066 29.063 4.755 696 HE1 PHE 33 HE1 PHE 33 -8.112 31.746 3.964 697 HE2 PHE 33 HE2 PHE 33 -5.769 28.274 3.164 698 HZ PHE 33 HZ PHE 33 -7.794 29.610 2.766 699 H PHE 34 H PHE 34 -4.428 29.105 8.347 700 HA PHE 34 HA PHE 34 -7.258 28.666 8.176 701 1HB PHE 34 1HB PHE 34 -4.927 26.898 8.810 702 2HB PHE 34 2HB PHE 34 -6.582 26.337 9.058 703 HD1 PHE 34 HD1 PHE 34 -3.999 26.214 6.809 704 HD2 PHE 34 HD2 PHE 34 -8.157 27.105 6.953 705 HE1 PHE 34 HE1 PHE 34 -4.188 25.726 4.401 706 HE2 PHE 34 HE2 PHE 34 -8.356 26.613 4.555 707 HZ PHE 34 HZ PHE 34 -6.373 25.927 3.272 708 H ASN 35 H ASN 35 -5.016 29.244 10.821 709 HA ASN 35 HA ASN 35 -6.554 28.315 12.952 710 1HB ASN 35 1HB ASN 35 -4.537 30.517 12.717 711 2HB ASN 35 2HB ASN 35 -5.452 30.345 14.210 712 1HD2 ASN 35 1HD2 ASN 35 -4.601 27.569 12.264 713 2HD2 ASN 35 2HD2 ASN 35 -3.426 26.930 13.354 714 H ASP 36 H ASP 36 -6.974 31.127 10.977 715 HA ASP 36 HA ASP 36 -8.697 32.633 12.598 716 1HB ASP 36 1HB ASP 36 -8.664 32.495 9.577 717 2HB ASP 36 2HB ASP 36 -9.338 33.794 10.558 718 H ASN 37 H ASN 37 -9.223 29.676 11.024 719 HA ASN 37 HA ASN 37 -12.142 30.045 11.099 720 1HB ASN 37 1HB ASN 37 -12.391 28.251 9.566 721 2HB ASN 37 2HB ASN 37 -11.089 29.262 8.952 722 1HD2 ASN 37 1HD2 ASN 37 -9.459 28.166 8.183 723 2HD2 ASN 37 2HD2 ASN 37 -8.910 26.622 8.727 724 H GLY 38 H GLY 38 -9.586 28.430 12.736 725 1HA GLY 38 1HA GLY 38 -10.413 27.705 15.005 726 2HA GLY 38 2HA GLY 38 -11.580 26.742 14.119 727 H VAL 39 H VAL 39 -8.469 26.879 12.680 728 HA VAL 39 HA VAL 39 -8.042 24.083 13.370 729 HB VAL 39 HB VAL 39 -6.380 25.825 11.544 730 1HG1 VAL 39 1HG1 VAL 39 -5.755 23.592 10.572 731 2HG1 VAL 39 2HG1 VAL 39 -6.545 22.847 11.963 732 3HG1 VAL 39 3HG1 VAL 39 -5.148 23.898 12.200 733 1HG2 VAL 39 1HG2 VAL 39 -8.456 25.857 10.506 734 2HG2 VAL 39 2HG2 VAL 39 -8.863 24.228 11.046 735 3HG2 VAL 39 3HG2 VAL 39 -7.674 24.461 9.765 736 H ASP 40 H ASP 40 -6.267 23.281 14.483 737 HA ASP 40 HA ASP 40 -4.192 25.076 15.393 738 1HB ASP 40 1HB ASP 40 -6.116 23.800 17.346 739 2HB ASP 40 2HB ASP 40 -4.593 24.558 17.801 740 H GLY 41 H GLY 41 -2.855 23.742 17.173 741 1HA GLY 41 1HA GLY 41 -2.219 21.421 17.753 742 2HA GLY 41 2HA GLY 41 -2.513 21.019 16.068 743 H GLU 42 H GLU 42 -0.466 20.290 15.586 744 HA GLU 42 HA GLU 42 1.531 22.372 15.233 745 1HB GLU 42 1HB GLU 42 1.912 19.977 17.007 746 2HB GLU 42 2HB GLU 42 3.282 20.731 16.204 747 1HG GLU 42 1HG GLU 42 2.325 22.916 17.266 748 2HG GLU 42 2HG GLU 42 1.534 21.791 18.368 749 H TRP 43 H TRP 43 3.264 21.752 13.801 750 HA TRP 43 HA TRP 43 2.349 20.093 11.662 751 1HB TRP 43 1HB TRP 43 4.879 21.645 12.158 752 2HB TRP 43 2HB TRP 43 4.699 20.604 10.750 753 HD1 TRP 43 HD1 TRP 43 3.802 24.007 12.049 754 HE1 TRP 43 HE1 TRP 43 2.439 25.282 10.278 755 HE3 TRP 43 HE3 TRP 43 2.864 20.156 8.819 756 HZ2 TRP 43 HZ2 TRP 43 1.136 24.728 7.834 757 HZ3 TRP 43 HZ3 TRP 43 1.552 20.613 6.789 758 HH2 TRP 43 HH2 TRP 43 0.706 22.852 6.308 759 H THR 44 H THR 44 2.519 17.995 11.518 760 HA THR 44 HA THR 44 4.690 16.656 12.982 761 HB THR 44 HB THR 44 3.246 14.662 13.028 762 HG1 THR 44 HG1 THR 44 1.514 14.570 11.866 763 1HG2 THR 44 1HG2 THR 44 3.020 16.716 14.700 764 2HG2 THR 44 2HG2 THR 44 2.014 15.272 14.816 765 3HG2 THR 44 3HG2 THR 44 1.388 16.723 14.032 766 H TYR 45 H TYR 45 5.954 15.220 11.960 767 HA TYR 45 HA TYR 45 6.178 15.417 9.119 768 1HB TYR 45 1HB TYR 45 7.653 13.893 11.240 769 2HB TYR 45 2HB TYR 45 7.931 13.531 9.540 770 HD1 TYR 45 HD1 TYR 45 8.616 15.806 12.258 771 HD2 TYR 45 HD2 TYR 45 8.786 15.341 8.032 772 HE1 TYR 45 HE1 TYR 45 10.207 17.677 12.121 773 HE2 TYR 45 HE2 TYR 45 10.377 17.210 7.884 774 HH TYR 45 HH TYR 45 12.099 18.361 10.349 775 H ASP 46 H ASP 46 5.846 13.832 7.553 776 HA ASP 46 HA ASP 46 3.643 12.087 8.039 777 1HB ASP 46 1HB ASP 46 5.432 12.618 5.683 778 2HB ASP 46 2HB ASP 46 4.308 11.263 5.654 779 H ASP 47 H ASP 47 3.625 9.775 7.743 780 HA ASP 47 HA ASP 47 5.683 8.456 9.170 781 1HB ASP 47 1HB ASP 47 3.421 7.339 7.501 782 2HB ASP 47 2HB ASP 47 4.457 6.373 8.546 783 H ALA 48 H ALA 48 7.406 7.275 8.504 784 HA ALA 48 HA ALA 48 8.633 7.799 6.081 785 1HB ALA 48 1HB ALA 48 9.940 7.029 7.906 786 2HB ALA 48 2HB ALA 48 10.083 5.824 6.626 787 3HB ALA 48 3HB ALA 48 9.029 5.521 8.007 788 H THR 49 H THR 49 8.693 6.881 4.114 789 HA THR 49 HA THR 49 7.135 4.434 3.648 790 HB THR 49 HB THR 49 7.090 6.835 1.813 791 HG1 THR 49 HG1 THR 49 5.881 7.520 3.450 792 1HG2 THR 49 1HG2 THR 49 6.616 4.710 0.702 793 2HG2 THR 49 2HG2 THR 49 5.195 5.755 0.767 794 3HG2 THR 49 3HG2 THR 49 5.339 4.389 1.875 795 H LYS 50 H LYS 50 7.746 3.263 1.713 796 HA LYS 50 HA LYS 50 10.526 3.831 0.912 797 1HB LYS 50 1HB LYS 50 9.787 1.659 2.266 798 2HB LYS 50 2HB LYS 50 9.404 1.086 0.648 799 1HG LYS 50 1HG LYS 50 11.561 0.351 0.907 800 2HG LYS 50 2HG LYS 50 11.811 1.892 0.083 801 1HD LYS 50 1HD LYS 50 13.378 1.801 1.868 802 2HD LYS 50 2HD LYS 50 12.115 2.933 2.354 803 1HE LYS 50 1HE LYS 50 12.079 1.744 4.256 804 2HE LYS 50 2HE LYS 50 11.134 0.588 3.318 805 1HZ LYS 50 1HZ LYS 50 12.982 -0.765 2.990 806 2HZ LYS 50 2HZ LYS 50 13.137 -0.280 4.602 807 3HZ LYS 50 3HZ LYS 50 14.085 0.449 3.407 808 H THR 51 H THR 51 11.121 3.550 -1.231 809 HA THR 51 HA THR 51 9.026 2.942 -3.178 810 HB THR 51 HB THR 51 10.649 5.496 -3.103 811 HG1 THR 51 HG1 THR 51 7.867 4.957 -3.115 812 1HG2 THR 51 1HG2 THR 51 8.929 4.442 -5.337 813 2HG2 THR 51 2HG2 THR 51 10.653 4.808 -5.400 814 3HG2 THR 51 3HG2 THR 51 9.483 6.111 -5.194 815 H PHE 52 H PHE 52 9.771 1.582 -4.682 816 HA PHE 52 HA PHE 52 12.576 0.915 -4.739 817 1HB PHE 52 1HB PHE 52 10.772 -0.808 -4.867 818 2HB PHE 52 2HB PHE 52 10.344 -0.183 -6.457 819 HD1 PHE 52 HD1 PHE 52 12.931 -1.937 -4.517 820 HD2 PHE 52 HD2 PHE 52 11.645 -0.698 -8.381 821 HE1 PHE 52 HE1 PHE 52 14.611 -3.411 -5.544 822 HE2 PHE 52 HE2 PHE 52 13.322 -2.172 -9.415 823 HZ PHE 52 HZ PHE 52 14.808 -3.531 -7.996 824 H THR 53 H THR 53 14.006 1.937 -5.968 825 HA THR 53 HA THR 53 13.088 3.440 -8.297 826 HB THR 53 HB THR 53 15.808 3.330 -6.972 827 HG1 THR 53 HG1 THR 53 15.193 5.428 -6.251 828 1HG2 THR 53 1HG2 THR 53 15.551 5.719 -8.362 829 2HG2 THR 53 2HG2 THR 53 14.991 4.477 -9.481 830 3HG2 THR 53 3HG2 THR 53 16.598 4.357 -8.764 831 H VAL 54 H VAL 54 13.234 2.638 -10.294 832 HA VAL 54 HA VAL 54 14.369 0.073 -10.779 833 HB VAL 54 HB VAL 54 13.631 2.037 -12.935 834 1HG1 VAL 54 1HG1 VAL 54 13.686 -0.965 -12.743 835 2HG1 VAL 54 2HG1 VAL 54 14.664 0.073 -13.780 836 3HG1 VAL 54 3HG1 VAL 54 12.933 -0.088 -14.075 837 1HG2 VAL 54 1HG2 VAL 54 11.832 0.441 -11.142 838 2HG2 VAL 54 2HG2 VAL 54 11.342 0.875 -12.780 839 3HG2 VAL 54 3HG2 VAL 54 11.714 2.138 -11.606 840 H THR 55 H THR 55 16.047 -0.437 -12.301 841 HA THR 55 HA THR 55 17.931 1.673 -12.970 842 HB THR 55 HB THR 55 18.738 -0.710 -11.297 843 HG1 THR 55 HG1 THR 55 19.200 0.892 -9.736 844 1HG2 THR 55 1HG2 THR 55 20.926 -0.035 -11.374 845 2HG2 THR 55 2HG2 THR 55 20.516 1.611 -11.859 846 3HG2 THR 55 3HG2 THR 55 20.399 0.293 -13.025 847 H GLU 56 H GLU 56 18.074 -1.868 -12.764 848 HA GLU 56 HA GLU 56 18.865 -1.934 -15.587 849 1HB GLU 56 1HB GLU 56 19.284 -3.774 -13.265 850 2HB GLU 56 2HB GLU 56 19.340 -4.425 -14.898 851 1HG GLU 56 1HG GLU 56 21.048 -2.624 -15.403 852 2HG GLU 56 2HG GLU 56 21.118 -2.347 -13.662 853 1H MET 1 1H MET 1 5.041 -0.797 8.083 854 2H MET 1 2H MET 1 4.551 0.833 8.305 855 3H MET 1 3H MET 1 5.959 0.242 9.090 856 HA MET 1 HA MET 1 6.596 1.563 7.269 857 1HB MET 1 1HB MET 1 7.438 -0.972 7.828 858 2HB MET 1 2HB MET 1 7.062 -1.113 6.116 859 1HG MET 1 1HG MET 1 8.752 1.139 7.116 860 2HG MET 1 2HG MET 1 9.448 -0.458 6.843 861 1HE MET 1 1HE MET 1 9.451 2.845 5.202 862 2HE MET 1 2HE MET 1 7.716 2.607 5.421 863 3HE MET 1 3HE MET 1 8.395 2.704 3.797 864 H GLN 2 H GLN 2 5.640 2.620 5.673 865 HA GLN 2 HA GLN 2 3.619 1.328 4.033 866 1HB GLN 2 1HB GLN 2 3.350 3.656 4.959 867 2HB GLN 2 2HB GLN 2 4.622 4.173 3.860 868 1HG GLN 2 1HG GLN 2 3.231 3.380 1.965 869 2HG GLN 2 2HG GLN 2 1.940 3.032 3.114 870 1HE2 GLN 2 1HE2 GLN 2 1.555 5.000 4.645 871 2HE2 GLN 2 2HE2 GLN 2 1.367 6.514 3.835 872 H TYR 3 H TYR 3 4.018 0.449 2.112 873 HA TYR 3 HA TYR 3 6.577 1.085 0.816 874 1HB TYR 3 1HB TYR 3 4.917 -1.408 0.919 875 2HB TYR 3 2HB TYR 3 6.046 -1.153 -0.409 876 HD1 TYR 3 HD1 TYR 3 5.673 -2.183 3.005 877 HD2 TYR 3 HD2 TYR 3 8.491 -0.761 0.154 878 HE1 TYR 3 HE1 TYR 3 7.509 -3.011 4.416 879 HE2 TYR 3 HE2 TYR 3 10.336 -1.586 1.555 880 HH TYR 3 HH TYR 3 10.710 -3.259 3.309 881 H LYS 4 H LYS 4 6.600 2.085 -1.017 882 HA LYS 4 HA LYS 4 4.105 2.346 -2.562 883 1HB LYS 4 1HB LYS 4 6.269 4.202 -1.892 884 2HB LYS 4 2HB LYS 4 5.838 4.226 -3.596 885 1HG LYS 4 1HG LYS 4 3.623 4.864 -3.139 886 2HG LYS 4 2HG LYS 4 3.778 4.464 -1.427 887 1HD LYS 4 1HD LYS 4 3.945 6.771 -1.403 888 2HD LYS 4 2HD LYS 4 5.640 6.281 -1.442 889 1HE LYS 4 1HE LYS 4 5.637 6.582 -3.891 890 2HE LYS 4 2HE LYS 4 3.969 7.147 -3.799 891 1HZ LYS 4 1HZ LYS 4 5.162 9.099 -3.795 892 2HZ LYS 4 2HZ LYS 4 6.428 8.470 -2.867 893 3HZ LYS 4 3HZ LYS 4 4.949 8.843 -2.136 894 H VAL 5 H VAL 5 3.964 1.245 -4.392 895 HA VAL 5 HA VAL 5 6.377 0.815 -6.003 896 HB VAL 5 HB VAL 5 4.449 -1.427 -5.405 897 1HG1 VAL 5 1HG1 VAL 5 5.399 -1.965 -7.429 898 2HG1 VAL 5 2HG1 VAL 5 6.550 -2.697 -6.312 899 3HG1 VAL 5 3HG1 VAL 5 6.914 -1.143 -7.060 900 1HG2 VAL 5 1HG2 VAL 5 7.080 -0.716 -4.144 901 2HG2 VAL 5 2HG2 VAL 5 6.469 -2.371 -4.154 902 3HG2 VAL 5 3HG2 VAL 5 5.546 -1.094 -3.360 903 H ILE 6 H ILE 6 6.056 1.171 -8.087 904 HA ILE 6 HA ILE 6 3.340 1.651 -9.038 905 HB ILE 6 HB ILE 6 5.922 2.098 -10.533 906 1HG1 ILE 6 1HG1 ILE 6 4.345 4.077 -8.870 907 2HG1 ILE 6 2HG1 ILE 6 5.887 3.365 -8.404 908 1HG2 ILE 6 1HG2 ILE 6 3.135 3.175 -10.926 909 2HG2 ILE 6 2HG2 ILE 6 3.977 2.021 -11.961 910 3HG2 ILE 6 3HG2 ILE 6 4.557 3.683 -11.839 911 1HD1 ILE 6 1HD1 ILE 6 5.741 5.744 -9.506 912 2HD1 ILE 6 2HD1 ILE 6 5.733 4.800 -10.996 913 3HD1 ILE 6 3HD1 ILE 6 7.075 4.647 -9.862 914 H LEU 7 H LEU 7 2.254 0.055 -10.004 915 HA LEU 7 HA LEU 7 3.728 -1.782 -11.759 916 1HB LEU 7 1HB LEU 7 2.958 -2.613 -9.338 917 2HB LEU 7 2HB LEU 7 1.454 -2.884 -10.197 918 HG LEU 7 HG LEU 7 2.813 -4.238 -11.873 919 1HD1 LEU 7 1HD1 LEU 7 4.954 -5.011 -11.288 920 2HD1 LEU 7 2HD1 LEU 7 4.833 -4.360 -9.653 921 3HD1 LEU 7 3HD1 LEU 7 4.999 -3.268 -11.029 922 1HD2 LEU 7 1HD2 LEU 7 1.366 -5.365 -10.353 923 2HD2 LEU 7 2HD2 LEU 7 2.489 -5.131 -9.014 924 3HD2 LEU 7 3HD2 LEU 7 2.908 -6.221 -10.336 925 H ASN 8 H ASN 8 2.956 -1.428 -13.724 926 HA ASN 8 HA ASN 8 0.119 -1.674 -14.219 927 1HB ASN 8 1HB ASN 8 0.055 0.450 -15.574 928 2HB ASN 8 2HB ASN 8 0.153 0.681 -13.831 929 1HD2 ASN 8 1HD2 ASN 8 0.796 2.764 -15.319 930 2HD2 ASN 8 2HD2 ASN 8 2.504 3.030 -15.341 931 H GLY 9 H GLY 9 3.269 -0.875 -15.622 932 1HA GLY 9 1HA GLY 9 4.305 -2.286 -17.251 933 2HA GLY 9 2HA GLY 9 2.709 -2.817 -17.755 934 H LYS 10 H LYS 10 3.853 0.501 -17.274 935 HA LYS 10 HA LYS 10 4.354 1.076 -19.980 936 1HB LYS 10 1HB LYS 10 2.316 2.534 -20.365 937 2HB LYS 10 2HB LYS 10 2.052 0.797 -20.446 938 1HG LYS 10 1HG LYS 10 0.906 0.747 -18.432 939 2HG LYS 10 2HG LYS 10 1.578 2.289 -17.901 940 1HD LYS 10 1HD LYS 10 0.309 3.277 -19.923 941 2HD LYS 10 2HD LYS 10 -0.599 1.764 -19.893 942 1HE LYS 10 1HE LYS 10 -0.284 3.598 -17.522 943 2HE LYS 10 2HE LYS 10 -1.662 3.634 -18.623 944 1HZ LYS 10 1HZ LYS 10 -0.869 1.153 -17.226 945 2HZ LYS 10 2HZ LYS 10 -2.357 1.536 -17.932 946 3HZ LYS 10 3HZ LYS 10 -1.887 2.289 -16.494 947 H THR 11 H THR 11 5.719 2.715 -19.879 948 HA THR 11 HA THR 11 5.192 4.901 -17.992 949 HB THR 11 HB THR 11 7.727 4.992 -17.648 950 HG1 THR 11 HG1 THR 11 8.884 3.218 -18.141 951 1HG2 THR 11 1HG2 THR 11 6.678 2.445 -16.520 952 2HG2 THR 11 2HG2 THR 11 5.954 3.980 -16.041 953 3HG2 THR 11 3HG2 THR 11 7.671 3.691 -15.762 954 H LEU 12 H LEU 12 4.775 6.563 -19.304 955 HA LEU 12 HA LEU 12 5.019 8.161 -20.900 956 1HB LEU 12 1HB LEU 12 7.757 7.327 -20.250 957 2HB LEU 12 2HB LEU 12 7.594 8.071 -21.830 958 HG LEU 12 HG LEU 12 8.210 9.698 -20.092 959 1HD1 LEU 12 1HD1 LEU 12 5.415 10.159 -21.120 960 2HD1 LEU 12 2HD1 LEU 12 6.882 10.364 -22.076 961 3HD1 LEU 12 3HD1 LEU 12 6.599 11.385 -20.667 962 1HD2 LEU 12 1HD2 LEU 12 6.488 10.338 -18.418 963 2HD2 LEU 12 2HD2 LEU 12 7.162 8.729 -18.163 964 3HD2 LEU 12 3HD2 LEU 12 5.564 8.911 -18.883 965 H LYS 13 H LYS 13 3.839 7.610 -22.625 966 HA LYS 13 HA LYS 13 3.282 6.843 -24.690 967 1HB LYS 13 1HB LYS 13 5.646 7.851 -25.109 968 2HB LYS 13 2HB LYS 13 6.157 6.173 -25.227 969 1HG LYS 13 1HG LYS 13 4.647 5.791 -27.063 970 2HG LYS 13 2HG LYS 13 3.982 7.417 -26.896 971 1HD LYS 13 1HD LYS 13 6.240 8.330 -27.390 972 2HD LYS 13 2HD LYS 13 6.798 6.683 -27.688 973 1HE LYS 13 1HE LYS 13 6.288 7.324 -29.824 974 2HE LYS 13 2HE LYS 13 4.740 6.640 -29.328 975 1HZ LYS 13 1HZ LYS 13 4.202 9.026 -28.617 976 2HZ LYS 13 2HZ LYS 13 4.173 8.663 -30.268 977 3HZ LYS 13 3HZ LYS 13 5.500 9.477 -29.605 978 H GLY 14 H GLY 14 2.811 4.916 -25.797 979 1HA GLY 14 1HA GLY 14 4.088 2.445 -25.312 980 2HA GLY 14 2HA GLY 14 2.704 2.598 -24.239 981 H GLU 15 H GLU 15 2.254 0.578 -25.626 982 HA GLU 15 HA GLU 15 0.524 1.425 -27.844 983 1HB GLU 15 1HB GLU 15 2.402 -0.944 -27.850 984 2HB GLU 15 2HB GLU 15 1.161 -0.657 -29.063 985 1HG GLU 15 1HG GLU 15 2.569 1.718 -28.992 986 2HG GLU 15 2HG GLU 15 3.812 0.481 -28.806 987 H THR 16 H THR 16 -0.814 -0.692 -28.521 988 HA THR 16 HA THR 16 -2.353 -1.339 -26.175 989 HB THR 16 HB THR 16 -3.561 -0.872 -28.196 990 HG1 THR 16 HG1 THR 16 -4.872 -2.621 -28.203 991 1HG2 THR 16 1HG2 THR 16 -1.602 -2.641 -29.436 992 2HG2 THR 16 2HG2 THR 16 -2.560 -1.334 -30.131 993 3HG2 THR 16 3HG2 THR 16 -3.265 -2.939 -29.941 994 H THR 17 H THR 17 -0.790 -2.563 -24.991 995 HA THR 17 HA THR 17 -0.924 -5.382 -25.589 996 HB THR 17 HB THR 17 1.706 -5.408 -25.157 997 HG1 THR 17 HG1 THR 17 2.423 -3.439 -25.247 998 1HG2 THR 17 1HG2 THR 17 0.611 -4.787 -27.886 999 2HG2 THR 17 2HG2 THR 17 0.566 -6.376 -27.123 1000 3HG2 THR 17 3HG2 THR 17 2.115 -5.623 -27.504 1001 H THR 18 H THR 18 -0.162 -6.714 -23.815 1002 HA THR 18 HA THR 18 -0.311 -5.273 -21.256 1003 HB THR 18 HB THR 18 -1.000 -7.448 -20.294 1004 HG1 THR 18 HG1 THR 18 -0.276 -9.037 -21.511 1005 1HG2 THR 18 1HG2 THR 18 -2.723 -5.900 -21.179 1006 2HG2 THR 18 2HG2 THR 18 -3.194 -7.599 -21.213 1007 3HG2 THR 18 3HG2 THR 18 -2.682 -6.795 -22.697 1008 H GLU 19 H GLU 19 1.195 -5.619 -19.644 1009 HA GLU 19 HA GLU 19 3.628 -7.042 -20.497 1010 1HB GLU 19 1HB GLU 19 3.173 -4.519 -18.993 1011 2HB GLU 19 2HB GLU 19 4.554 -5.500 -18.519 1012 1HG GLU 19 1HG GLU 19 4.245 -5.022 -21.408 1013 2HG GLU 19 2HG GLU 19 4.638 -3.613 -20.423 1014 H ALA 20 H ALA 20 5.017 -7.464 -18.329 1015 HA ALA 20 HA ALA 20 3.586 -9.538 -16.980 1016 1HB ALA 20 1HB ALA 20 6.382 -8.495 -16.871 1017 2HB ALA 20 2HB ALA 20 5.797 -10.092 -17.335 1018 3HB ALA 20 3HB ALA 20 5.806 -9.615 -15.638 1019 H VAL 21 H VAL 21 4.560 -6.263 -16.172 1020 HA VAL 21 HA VAL 21 3.788 -6.603 -13.391 1021 HB VAL 21 HB VAL 21 4.316 -4.137 -13.238 1022 1HG1 VAL 21 1HG1 VAL 21 6.551 -4.550 -12.906 1023 2HG1 VAL 21 2HG1 VAL 21 6.694 -5.545 -14.354 1024 3HG1 VAL 21 3HG1 VAL 21 5.909 -6.191 -12.914 1025 1HG2 VAL 21 1HG2 VAL 21 4.052 -4.093 -15.914 1026 2HG2 VAL 21 2HG2 VAL 21 5.801 -4.275 -15.785 1027 3HG2 VAL 21 3HG2 VAL 21 4.998 -2.911 -15.010 1028 H ASP 22 H ASP 22 1.575 -7.133 -13.770 1029 HA ASP 22 HA ASP 22 -0.113 -4.939 -14.741 1030 1HB ASP 22 1HB ASP 22 -0.302 -7.350 -15.625 1031 2HB ASP 22 2HB ASP 22 -1.062 -7.717 -14.079 1032 H ALA 23 H ALA 23 -1.675 -4.020 -13.551 1033 HA ALA 23 HA ALA 23 -1.350 -3.695 -10.829 1034 1HB ALA 23 1HB ALA 23 -4.104 -3.318 -11.646 1035 2HB ALA 23 2HB ALA 23 -2.965 -2.649 -12.816 1036 3HB ALA 23 3HB ALA 23 -2.905 -2.131 -11.130 1037 H ALA 24 H ALA 24 -3.513 -5.905 -12.559 1038 HA ALA 24 HA ALA 24 -4.852 -6.908 -10.277 1039 1HB ALA 24 1HB ALA 24 -5.538 -7.091 -12.735 1040 2HB ALA 24 2HB ALA 24 -5.822 -8.490 -11.700 1041 3HB ALA 24 3HB ALA 24 -4.447 -8.474 -12.804 1042 H THR 25 H THR 25 -1.856 -7.744 -11.870 1043 HA THR 25 HA THR 25 -1.424 -10.268 -10.699 1044 HB THR 25 HB THR 25 0.489 -8.174 -11.746 1045 HG1 THR 25 HG1 THR 25 -0.390 -10.640 -12.830 1046 1HG2 THR 25 1HG2 THR 25 2.131 -9.292 -10.748 1047 2HG2 THR 25 2HG2 THR 25 1.833 -10.519 -11.980 1048 3HG2 THR 25 3HG2 THR 25 1.102 -10.678 -10.382 1049 H PHE 26 H PHE 26 -0.791 -6.998 -9.625 1050 HA PHE 26 HA PHE 26 0.803 -7.623 -7.377 1051 1HB PHE 26 1HB PHE 26 0.472 -5.338 -8.476 1052 2HB PHE 26 2HB PHE 26 -1.039 -5.243 -7.576 1053 HD1 PHE 26 HD1 PHE 26 2.599 -5.844 -7.068 1054 HD2 PHE 26 HD2 PHE 26 -1.038 -4.331 -5.457 1055 HE1 PHE 26 HE1 PHE 26 3.825 -4.989 -5.113 1056 HE2 PHE 26 HE2 PHE 26 0.181 -3.473 -3.499 1057 HZ PHE 26 HZ PHE 26 2.616 -3.801 -3.326 1058 H GLU 27 H GLU 27 -2.681 -7.045 -7.735 1059 HA GLU 27 HA GLU 27 -3.395 -7.290 -5.049 1060 1HB GLU 27 1HB GLU 27 -4.995 -7.979 -7.517 1061 2HB GLU 27 2HB GLU 27 -5.666 -7.813 -5.902 1062 1HG GLU 27 1HG GLU 27 -4.858 -5.464 -5.873 1063 2HG GLU 27 2HG GLU 27 -4.369 -5.662 -7.556 1064 H LYS 28 H LYS 28 -3.371 -9.801 -7.582 1065 HA LYS 28 HA LYS 28 -4.264 -11.870 -5.893 1066 1HB LYS 28 1HB LYS 28 -4.348 -11.869 -8.396 1067 2HB LYS 28 2HB LYS 28 -2.616 -12.175 -8.402 1068 1HG LYS 28 1HG LYS 28 -2.905 -14.297 -7.368 1069 2HG LYS 28 2HG LYS 28 -4.609 -13.971 -7.044 1070 1HD LYS 28 1HD LYS 28 -3.582 -13.933 -9.853 1071 2HD LYS 28 2HD LYS 28 -3.941 -15.471 -9.064 1072 1HE LYS 28 1HE LYS 28 -5.922 -13.214 -9.144 1073 2HE LYS 28 2HE LYS 28 -5.800 -14.397 -10.445 1074 1HZ LYS 28 1HZ LYS 28 -6.530 -14.878 -7.615 1075 2HZ LYS 28 2HZ LYS 28 -6.109 -16.132 -8.670 1076 3HZ LYS 28 3HZ LYS 28 -7.463 -15.172 -8.997 1077 H VAL 29 H VAL 29 -0.939 -11.085 -6.999 1078 HA VAL 29 HA VAL 29 0.302 -13.204 -5.627 1079 HB VAL 29 HB VAL 29 1.483 -10.546 -6.435 1080 1HG1 VAL 29 1HG1 VAL 29 3.637 -11.662 -6.321 1081 2HG1 VAL 29 2HG1 VAL 29 2.858 -13.156 -5.801 1082 3HG1 VAL 29 3HG1 VAL 29 2.829 -11.736 -4.752 1083 1HG2 VAL 29 1HG2 VAL 29 2.034 -12.989 -7.991 1084 2HG2 VAL 29 2HG2 VAL 29 1.771 -11.331 -8.531 1085 3HG2 VAL 29 3HG2 VAL 29 0.394 -12.351 -8.113 1086 H VAL 30 H VAL 30 -0.277 -9.839 -4.694 1087 HA VAL 30 HA VAL 30 1.163 -10.014 -2.253 1088 HB VAL 30 HB VAL 30 -0.962 -8.022 -3.064 1089 1HG1 VAL 30 1HG1 VAL 30 -0.020 -6.578 -1.346 1090 2HG1 VAL 30 2HG1 VAL 30 1.124 -7.840 -0.890 1091 3HG1 VAL 30 3HG1 VAL 30 -0.604 -8.083 -0.634 1092 1HG2 VAL 30 1HG2 VAL 30 0.726 -6.683 -3.943 1093 2HG2 VAL 30 2HG2 VAL 30 1.187 -8.304 -4.466 1094 3HG2 VAL 30 3HG2 VAL 30 1.998 -7.557 -3.088 1095 H LYS 31 H LYS 31 -2.330 -10.247 -2.983 1096 HA LYS 31 HA LYS 31 -3.125 -10.524 -0.288 1097 1HB LYS 31 1HB LYS 31 -4.669 -9.941 -2.138 1098 2HB LYS 31 2HB LYS 31 -4.493 -11.570 -2.776 1099 1HG LYS 31 1HG LYS 31 -5.343 -12.355 -0.494 1100 2HG LYS 31 2HG LYS 31 -5.849 -10.680 -0.258 1101 1HD LYS 31 1HD LYS 31 -7.232 -10.785 -2.243 1102 2HD LYS 31 2HD LYS 31 -6.661 -12.419 -2.588 1103 1HE LYS 31 1HE LYS 31 -7.692 -13.242 -0.557 1104 2HE LYS 31 2HE LYS 31 -8.182 -11.607 -0.113 1105 1HZ LYS 31 1HZ LYS 31 -9.751 -11.538 -1.813 1106 2HZ LYS 31 2HZ LYS 31 -9.908 -13.106 -1.199 1107 3HZ LYS 31 3HZ LYS 31 -9.070 -12.845 -2.645 1108 H GLN 32 H GLN 32 -2.356 -12.884 -2.812 1109 HA GLN 32 HA GLN 32 -2.944 -15.187 -1.290 1110 1HB GLN 32 1HB GLN 32 -2.657 -15.041 -3.805 1111 2HB GLN 32 2HB GLN 32 -0.921 -15.019 -3.524 1112 1HG GLN 32 1HG GLN 32 -1.240 -17.239 -3.895 1113 2HG GLN 32 2HG GLN 32 -1.443 -17.190 -2.144 1114 1HE2 GLN 32 1HE2 GLN 32 -2.919 -18.666 -1.680 1115 2HE2 GLN 32 2HE2 GLN 32 -4.467 -18.817 -2.432 1116 H PHE 33 H PHE 33 0.094 -13.388 -1.805 1117 HA PHE 33 HA PHE 33 1.712 -15.186 -0.355 1118 1HB PHE 33 1HB PHE 33 2.904 -13.909 -1.837 1119 2HB PHE 33 2HB PHE 33 1.998 -12.448 -1.483 1120 HD1 PHE 33 HD1 PHE 33 4.200 -14.772 0.488 1121 HD2 PHE 33 HD2 PHE 33 3.258 -10.787 -0.672 1122 HE1 PHE 33 HE1 PHE 33 6.073 -13.930 1.855 1123 HE2 PHE 33 HE2 PHE 33 5.115 -9.939 0.701 1124 HZ PHE 33 HZ PHE 33 6.525 -11.505 1.967 1125 H PHE 34 H PHE 34 0.162 -12.127 0.612 1126 HA PHE 34 HA PHE 34 1.232 -12.351 3.264 1127 1HB PHE 34 1HB PHE 34 -0.602 -10.395 1.933 1128 2HB PHE 34 2HB PHE 34 -0.365 -10.367 3.683 1129 HD1 PHE 34 HD1 PHE 34 0.706 -8.875 0.789 1130 HD2 PHE 34 HD2 PHE 34 2.282 -10.732 4.277 1131 HE1 PHE 34 HE1 PHE 34 2.828 -7.661 0.476 1132 HE2 PHE 34 HE2 PHE 34 4.398 -9.520 3.977 1133 HZ PHE 34 HZ PHE 34 4.679 -7.987 2.076 1134 H ASN 35 H ASN 35 -1.822 -13.233 1.764 1135 HA ASN 35 HA ASN 35 -3.411 -13.478 4.042 1136 1HB ASN 35 1HB ASN 35 -3.397 -14.918 1.415 1137 2HB ASN 35 2HB ASN 35 -4.455 -15.486 2.702 1138 1HD2 ASN 35 1HD2 ASN 35 -3.675 -12.098 2.348 1139 2HD2 ASN 35 2HD2 ASN 35 -5.234 -11.604 1.800 1140 H ASP 36 H ASP 36 -0.804 -15.468 2.933 1141 HA ASP 36 HA ASP 36 -1.281 -17.802 4.414 1142 1HB ASP 36 1HB ASP 36 1.395 -16.645 3.612 1143 2HB ASP 36 2HB ASP 36 1.068 -18.320 4.048 1144 H ASN 37 H ASN 37 -0.383 -14.706 5.466 1145 HA ASN 37 HA ASN 37 0.691 -15.770 7.991 1146 1HB ASN 37 1HB ASN 37 1.732 -13.679 8.408 1147 2HB ASN 37 2HB ASN 37 2.058 -14.076 6.726 1148 1HD2 ASN 37 1HD2 ASN 37 1.899 -12.430 5.420 1149 2HD2 ASN 37 2HD2 ASN 37 0.840 -11.076 5.597 1150 H GLY 38 H GLY 38 -2.095 -14.239 6.678 1151 1HA GLY 38 1HA GLY 38 -4.015 -14.548 8.283 1152 2HA GLY 38 2HA GLY 38 -3.027 -13.651 9.421 1153 H VAL 39 H VAL 39 -2.818 -12.541 6.181 1154 HA VAL 39 HA VAL 39 -4.265 -10.128 6.929 1155 HB VAL 39 HB VAL 39 -2.802 -10.697 4.347 1156 1HG1 VAL 39 1HG1 VAL 39 -2.687 -8.187 4.277 1157 2HG1 VAL 39 2HG1 VAL 39 -3.832 -8.168 5.618 1158 3HG1 VAL 39 3HG1 VAL 39 -4.300 -8.869 4.069 1159 1HG2 VAL 39 1HG2 VAL 39 -1.112 -10.876 5.928 1160 2HG2 VAL 39 2HG2 VAL 39 -1.839 -9.671 6.990 1161 3HG2 VAL 39 3HG2 VAL 39 -1.057 -9.168 5.491 1162 H ASP 40 H ASP 40 -6.102 -9.349 5.902 1163 HA ASP 40 HA ASP 40 -7.241 -10.791 3.670 1164 1HB ASP 40 1HB ASP 40 -8.610 -10.756 6.367 1165 2HB ASP 40 2HB ASP 40 -9.391 -11.231 4.862 1166 H GLY 41 H GLY 41 -9.649 -9.859 3.403 1167 1HA GLY 41 1HA GLY 41 -10.960 -7.792 3.772 1168 2HA GLY 41 2HA GLY 41 -9.431 -6.926 3.719 1169 H GLU 42 H GLU 42 -9.909 -5.607 1.990 1170 HA GLU 42 HA GLU 42 -9.812 -6.901 -0.611 1171 1HB GLU 42 1HB GLU 42 -12.122 -5.232 0.339 1172 2HB GLU 42 2HB GLU 42 -11.712 -5.316 -1.370 1173 1HG GLU 42 1HG GLU 42 -11.799 -7.893 -0.962 1174 2HG GLU 42 2HG GLU 42 -12.776 -7.434 0.432 1175 H TRP 43 H TRP 43 -9.295 -5.436 -2.349 1176 HA TRP 43 HA TRP 43 -7.435 -3.423 -1.541 1177 1HB TRP 43 1HB TRP 43 -8.424 -4.395 -4.213 1178 2HB TRP 43 2HB TRP 43 -7.339 -3.014 -4.080 1179 HD1 TRP 43 HD1 TRP 43 -7.369 -6.764 -4.073 1180 HE1 TRP 43 HE1 TRP 43 -4.975 -7.652 -3.755 1181 HE3 TRP 43 HE3 TRP 43 -5.045 -2.394 -2.796 1182 HZ2 TRP 43 HZ2 TRP 43 -2.436 -6.635 -3.055 1183 HZ3 TRP 43 HZ3 TRP 43 -2.631 -2.436 -2.317 1184 HH2 TRP 43 HH2 TRP 43 -1.356 -4.515 -2.444 1185 H THR 44 H THR 44 -7.869 -1.424 -1.023 1186 HA THR 44 HA THR 44 -10.295 -0.179 -2.127 1187 HB THR 44 HB THR 44 -10.292 1.271 -0.139 1188 HG1 THR 44 HG1 THR 44 -8.637 1.336 1.131 1189 1HG2 THR 44 1HG2 THR 44 -11.219 -1.222 -0.179 1190 2HG2 THR 44 2HG2 THR 44 -11.315 -0.185 1.244 1191 3HG2 THR 44 3HG2 THR 44 -10.031 -1.387 1.113 1192 H TYR 45 H TYR 45 -10.174 1.776 -3.057 1193 HA TYR 45 HA TYR 45 -7.648 2.614 -4.095 1194 1HB TYR 45 1HB TYR 45 -10.458 3.635 -4.333 1195 2HB TYR 45 2HB TYR 45 -9.114 4.608 -4.921 1196 HD1 TYR 45 HD1 TYR 45 -11.262 1.781 -5.575 1197 HD2 TYR 45 HD2 TYR 45 -7.628 3.679 -6.712 1198 HE1 TYR 45 HE1 TYR 45 -11.262 0.508 -7.679 1199 HE2 TYR 45 HE2 TYR 45 -7.618 2.413 -8.819 1200 HH TYR 45 HH TYR 45 -10.188 0.937 -10.091 1201 H ASP 46 H ASP 46 -6.499 4.507 -3.683 1202 HA ASP 46 HA ASP 46 -6.560 5.399 -0.976 1203 1HB ASP 46 1HB ASP 46 -4.955 6.145 -3.405 1204 2HB ASP 46 2HB ASP 46 -4.848 7.117 -1.941 1205 H ASP 47 H ASP 47 -6.841 7.599 -0.254 1206 HA ASP 47 HA ASP 47 -9.186 8.811 -1.276 1207 1HB ASP 47 1HB ASP 47 -7.133 9.846 0.691 1208 2HB ASP 47 2HB ASP 47 -8.679 10.623 0.365 1209 H ALA 48 H ALA 48 -9.493 10.527 -2.608 1210 HA ALA 48 HA ALA 48 -7.626 11.166 -4.546 1211 1HB ALA 48 1HB ALA 48 -9.926 11.563 -4.970 1212 2HB ALA 48 2HB ALA 48 -9.114 13.127 -5.033 1213 3HB ALA 48 3HB ALA 48 -10.052 12.678 -3.609 1214 H THR 49 H THR 49 -6.094 12.678 -4.822 1215 HA THR 49 HA THR 49 -5.696 14.687 -2.714 1216 HB THR 49 HB THR 49 -3.453 13.112 -3.988 1217 HG1 THR 49 HG1 THR 49 -4.319 11.645 -2.685 1218 1HG2 THR 49 1HG2 THR 49 -2.788 15.308 -3.144 1219 2HG2 THR 49 2HG2 THR 49 -2.082 13.995 -2.203 1220 3HG2 THR 49 3HG2 THR 49 -3.458 14.896 -1.565 1221 H LYS 50 H LYS 50 -4.454 16.556 -3.395 1222 HA LYS 50 HA LYS 50 -4.601 16.976 -6.309 1223 1HB LYS 50 1HB LYS 50 -6.076 18.317 -4.541 1224 2HB LYS 50 2HB LYS 50 -4.618 19.293 -4.440 1225 1HG LYS 50 1HG LYS 50 -5.806 20.393 -6.066 1226 2HG LYS 50 2HG LYS 50 -4.784 19.330 -7.035 1227 1HD LYS 50 1HD LYS 50 -6.981 19.185 -7.932 1228 2HD LYS 50 2HD LYS 50 -6.691 17.687 -7.047 1229 1HE LYS 50 1HE LYS 50 -8.678 18.116 -6.095 1230 2HE LYS 50 2HE LYS 50 -7.768 19.257 -5.106 1231 1HZ LYS 50 1HZ LYS 50 -8.465 21.045 -6.395 1232 2HZ LYS 50 2HZ LYS 50 -9.856 20.093 -6.269 1233 3HZ LYS 50 3HZ LYS 50 -8.943 20.068 -7.693 1234 H THR 51 H THR 51 -2.954 18.103 -7.330 1235 HA THR 51 HA THR 51 -0.587 18.813 -5.765 1236 HB THR 51 HB THR 51 -0.627 16.855 -8.072 1237 HG1 THR 51 HG1 THR 51 0.259 16.679 -5.386 1238 1HG2 THR 51 1HG2 THR 51 1.752 18.159 -6.771 1239 2HG2 THR 51 2HG2 THR 51 1.276 18.255 -8.467 1240 3HG2 THR 51 3HG2 THR 51 1.827 16.722 -7.790 1241 H PHE 52 H PHE 52 0.173 20.738 -6.382 1242 HA PHE 52 HA PHE 52 -0.949 22.038 -8.698 1243 1HB PHE 52 1HB PHE 52 -0.594 23.216 -6.523 1244 2HB PHE 52 2HB PHE 52 1.143 23.082 -6.781 1245 HD1 PHE 52 HD1 PHE 52 -1.961 24.641 -7.992 1246 HD2 PHE 52 HD2 PHE 52 2.282 24.514 -8.301 1247 HE1 PHE 52 HE1 PHE 52 -1.996 26.734 -9.287 1248 HE2 PHE 52 HE2 PHE 52 2.254 26.607 -9.595 1249 HZ PHE 52 HZ PHE 52 0.114 27.720 -10.088 1250 H THR 53 H THR 53 -0.112 21.867 -10.667 1251 HA THR 53 HA THR 53 2.678 21.067 -10.979 1252 HB THR 53 HB THR 53 0.477 21.371 -13.033 1253 HG1 THR 53 HG1 THR 53 0.555 19.070 -12.994 1254 1HG2 THR 53 1HG2 THR 53 2.398 19.607 -13.986 1255 2HG2 THR 53 2HG2 THR 53 3.309 20.984 -13.365 1256 3HG2 THR 53 3HG2 THR 53 2.053 21.232 -14.578 1257 H VAL 54 H VAL 54 4.233 22.507 -11.379 1258 HA VAL 54 HA VAL 54 3.645 25.277 -11.664 1259 HB VAL 54 HB VAL 54 6.325 24.041 -12.249 1260 1HG1 VAL 54 1HG1 VAL 54 5.414 26.722 -11.232 1261 2HG1 VAL 54 2HG1 VAL 54 6.244 26.362 -12.745 1262 3HG1 VAL 54 3HG1 VAL 54 7.096 26.194 -11.209 1263 1HG2 VAL 54 1HG2 VAL 54 4.978 24.460 -9.601 1264 2HG2 VAL 54 2HG2 VAL 54 6.736 24.495 -9.753 1265 3HG2 VAL 54 3HG2 VAL 54 5.841 23.041 -10.195 1266 H THR 55 H THR 55 4.289 26.660 -13.415 1267 HA THR 55 HA THR 55 4.715 25.419 -16.009 1268 HB THR 55 HB THR 55 2.346 27.216 -15.476 1269 HG1 THR 55 HG1 THR 55 1.156 25.342 -16.012 1270 1HG2 THR 55 1HG2 THR 55 1.789 27.157 -17.696 1271 2HG2 THR 55 2HG2 THR 55 2.761 25.720 -18.015 1272 3HG2 THR 55 3HG2 THR 55 3.545 27.283 -17.782 1273 H GLU 56 H GLU 56 3.630 28.607 -14.884 1274 HA GLU 56 HA GLU 56 5.872 29.811 -16.340 1275 1HB GLU 56 1HB GLU 56 3.189 30.800 -15.462 1276 2HB GLU 56 2HB GLU 56 4.484 31.958 -15.735 1277 1HG GLU 56 1HG GLU 56 4.752 30.902 -18.021 1278 2HG GLU 56 2HG GLU 56 3.225 30.080 -17.706 1279 1H MET 1 1H MET 1 1.034 1.599 -12.176 1280 2H MET 1 2H MET 1 0.981 3.291 -11.897 1281 3H MET 1 3H MET 1 -0.207 2.543 -12.884 1282 HA MET 1 HA MET 1 -1.140 3.019 -10.794 1283 1HB MET 1 1HB MET 1 -1.174 0.621 -12.095 1284 2HB MET 1 2HB MET 1 -0.692 0.118 -10.480 1285 1HG MET 1 1HG MET 1 -3.045 1.918 -10.868 1286 2HG MET 1 2HG MET 1 -3.196 0.178 -11.102 1287 1HE MET 1 1HE MET 1 -4.153 2.692 -8.575 1288 2HE MET 1 2HE MET 1 -2.446 3.081 -8.778 1289 3HE MET 1 3HE MET 1 -3.037 2.489 -7.226 1290 H GLN 2 H GLN 2 -0.487 3.817 -8.919 1291 HA GLN 2 HA GLN 2 1.910 2.804 -7.624 1292 1HB GLN 2 1HB GLN 2 1.396 5.263 -7.830 1293 2HB GLN 2 2HB GLN 2 0.081 5.021 -6.688 1294 1HG GLN 2 1HG GLN 2 1.738 4.191 -5.040 1295 2HG GLN 2 2HG GLN 2 3.017 4.607 -6.180 1296 1HE2 GLN 2 1HE2 GLN 2 2.701 6.948 -7.062 1297 2HE2 GLN 2 2HE2 GLN 2 2.448 8.147 -5.844 1298 H TYR 3 H TYR 3 1.893 1.333 -6.058 1299 HA TYR 3 HA TYR 3 -0.672 0.739 -4.755 1300 1HB TYR 3 1HB TYR 3 1.675 -0.971 -5.492 1301 2HB TYR 3 2HB TYR 3 0.587 -1.473 -4.201 1302 HD1 TYR 3 HD1 TYR 3 1.102 -1.308 -7.747 1303 HD2 TYR 3 HD2 TYR 3 -1.881 -1.721 -4.742 1304 HE1 TYR 3 HE1 TYR 3 -0.449 -2.227 -9.420 1305 HE2 TYR 3 HE2 TYR 3 -3.440 -2.642 -6.406 1306 HH TYR 3 HH TYR 3 -3.352 -3.773 -8.585 1307 H LYS 4 H LYS 4 -0.919 1.111 -2.715 1308 HA LYS 4 HA LYS 4 1.439 1.680 -1.045 1309 1HB LYS 4 1HB LYS 4 -1.223 2.881 -1.253 1310 2HB LYS 4 2HB LYS 4 -0.742 2.545 0.404 1311 1HG LYS 4 1HG LYS 4 1.139 3.944 0.256 1312 2HG LYS 4 2HG LYS 4 1.041 4.026 -1.503 1313 1HD LYS 4 1HD LYS 4 0.161 6.071 -0.875 1314 2HD LYS 4 2HD LYS 4 -1.293 5.087 -1.057 1315 1HE LYS 4 1HE LYS 4 -1.266 4.660 1.376 1316 2HE LYS 4 2HE LYS 4 0.133 5.723 1.524 1317 1HZ LYS 4 1HZ LYS 4 -1.613 7.114 2.025 1318 2HZ LYS 4 2HZ LYS 4 -2.658 6.414 0.894 1319 3HZ LYS 4 3HZ LYS 4 -1.405 7.426 0.374 1320 H VAL 5 H VAL 5 2.002 0.206 0.399 1321 HA VAL 5 HA VAL 5 -0.077 -1.401 1.702 1322 HB VAL 5 HB VAL 5 2.425 -2.658 0.577 1323 1HG1 VAL 5 1HG1 VAL 5 1.788 -4.025 2.312 1324 2HG1 VAL 5 2HG1 VAL 5 0.869 -4.725 0.978 1325 3HG1 VAL 5 3HG1 VAL 5 0.076 -3.645 2.125 1326 1HG2 VAL 5 1HG2 VAL 5 -0.351 -2.473 -0.551 1327 2HG2 VAL 5 2HG2 VAL 5 0.745 -3.784 -0.988 1328 3HG2 VAL 5 3HG2 VAL 5 1.186 -2.111 -1.337 1329 H ILE 6 H ILE 6 0.213 -1.578 3.813 1330 HA ILE 6 HA ILE 6 2.686 -0.569 4.990 1331 HB ILE 6 HB ILE 6 0.166 -1.400 6.426 1332 1HG1 ILE 6 1HG1 ILE 6 0.967 1.361 5.477 1333 2HG1 ILE 6 2HG1 ILE 6 -0.296 0.370 4.754 1334 1HG2 ILE 6 1HG2 ILE 6 2.494 0.332 7.241 1335 2HG2 ILE 6 2HG2 ILE 6 2.103 -1.271 7.861 1336 3HG2 ILE 6 3HG2 ILE 6 1.029 0.088 8.193 1337 1HD1 ILE 6 1HD1 ILE 6 -0.848 2.254 6.498 1338 2HD1 ILE 6 2HD1 ILE 6 -0.476 0.974 7.653 1339 3HD1 ILE 6 3HD1 ILE 6 -1.755 0.742 6.461 1340 H LEU 7 H LEU 7 4.260 -1.955 5.509 1341 HA LEU 7 HA LEU 7 3.514 -4.583 6.588 1342 1HB LEU 7 1HB LEU 7 4.395 -4.398 4.071 1343 2HB LEU 7 2HB LEU 7 5.945 -4.421 4.889 1344 HG LEU 7 HG LEU 7 5.157 -6.554 6.035 1345 1HD1 LEU 7 1HD1 LEU 7 3.340 -7.754 5.149 1346 2HD1 LEU 7 2HD1 LEU 7 3.176 -6.655 3.779 1347 3HD1 LEU 7 3HD1 LEU 7 2.740 -6.115 5.401 1348 1HD2 LEU 7 1HD2 LEU 7 6.812 -6.685 4.328 1349 2HD2 LEU 7 2HD2 LEU 7 5.612 -6.436 3.060 1350 3HD2 LEU 7 3HD2 LEU 7 5.615 -7.936 3.988 1351 H ASN 8 H ASN 8 4.225 -4.587 8.611 1352 HA ASN 8 HA ASN 8 7.016 -4.071 9.151 1353 1HB ASN 8 1HB ASN 8 6.485 -2.501 11.046 1354 2HB ASN 8 2HB ASN 8 6.235 -1.832 9.437 1355 1HD2 ASN 8 1HD2 ASN 8 5.051 -0.568 11.437 1356 2HD2 ASN 8 2HD2 ASN 8 3.349 -0.862 11.454 1357 H GLY 9 H GLY 9 3.848 -4.670 10.622 1358 1HA GLY 9 1HA GLY 9 4.513 -7.166 11.684 1359 2HA GLY 9 2HA GLY 9 4.833 -5.970 12.929 1360 H LYS 10 H LYS 10 3.004 -7.892 13.439 1361 HA LYS 10 HA LYS 10 0.349 -6.899 12.826 1362 1HB LYS 10 1HB LYS 10 1.423 -9.299 14.272 1363 2HB LYS 10 2HB LYS 10 -0.269 -8.849 14.434 1364 1HG LYS 10 1HG LYS 10 0.838 -9.054 11.692 1365 2HG LYS 10 2HG LYS 10 0.575 -10.550 12.592 1366 1HD LYS 10 1HD LYS 10 -1.477 -10.334 11.615 1367 2HD LYS 10 2HD LYS 10 -1.763 -9.406 13.088 1368 1HE LYS 10 1HE LYS 10 -0.615 -7.769 10.994 1369 2HE LYS 10 2HE LYS 10 -2.112 -8.538 10.471 1370 1HZ LYS 10 1HZ LYS 10 -3.286 -7.153 11.720 1371 2HZ LYS 10 2HZ LYS 10 -1.869 -6.283 12.027 1372 3HZ LYS 10 3HZ LYS 10 -2.367 -7.490 13.101 1373 H THR 11 H THR 11 -1.122 -6.089 14.308 1374 HA THR 11 HA THR 11 -1.845 -4.889 16.098 1375 HB THR 11 HB THR 11 0.292 -6.111 17.810 1376 HG1 THR 11 HG1 THR 11 -0.355 -7.919 16.840 1377 1HG2 THR 11 1HG2 THR 11 -0.984 -5.122 19.340 1378 2HG2 THR 11 2HG2 THR 11 -2.104 -6.454 19.056 1379 3HG2 THR 11 3HG2 THR 11 -2.333 -4.917 18.223 1380 H LEU 12 H LEU 12 -1.411 -2.983 17.241 1381 HA LEU 12 HA LEU 12 1.055 -1.664 16.420 1382 1HB LEU 12 1HB LEU 12 -1.422 -0.543 17.726 1383 2HB LEU 12 2HB LEU 12 -0.060 0.402 17.157 1384 HG LEU 12 HG LEU 12 -1.424 -1.358 15.186 1385 1HD1 LEU 12 1HD1 LEU 12 -2.976 0.650 14.758 1386 2HD1 LEU 12 2HD1 LEU 12 -2.632 1.082 16.433 1387 3HD1 LEU 12 3HD1 LEU 12 -3.385 -0.468 16.059 1388 1HD2 LEU 12 1HD2 LEU 12 -0.926 0.581 13.725 1389 2HD2 LEU 12 2HD2 LEU 12 0.508 -0.104 14.489 1390 3HD2 LEU 12 3HD2 LEU 12 -0.191 1.392 15.108 1391 H LYS 13 H LYS 13 -0.867 -2.062 19.373 1392 HA LYS 13 HA LYS 13 1.540 -1.480 20.956 1393 1HB LYS 13 1HB LYS 13 -0.657 -0.180 21.280 1394 2HB LYS 13 2HB LYS 13 -1.263 -1.645 22.040 1395 1HG LYS 13 1HG LYS 13 -0.507 -0.622 23.899 1396 2HG LYS 13 2HG LYS 13 1.014 -1.369 23.409 1397 1HD LYS 13 1HD LYS 13 1.945 0.607 22.799 1398 2HD LYS 13 2HD LYS 13 0.411 1.278 22.241 1399 1HE LYS 13 1HE LYS 13 -0.066 2.187 24.245 1400 2HE LYS 13 2HE LYS 13 0.575 0.807 25.135 1401 1HZ LYS 13 1HZ LYS 13 2.246 2.891 23.839 1402 2HZ LYS 13 2HZ LYS 13 2.790 1.632 24.827 1403 3HZ LYS 13 3HZ LYS 13 1.845 2.871 25.483 1404 H GLY 14 H GLY 14 2.625 -3.248 21.519 1405 1HA GLY 14 1HA GLY 14 1.786 -5.175 23.260 1406 2HA GLY 14 2HA GLY 14 1.367 -5.828 21.683 1407 H GLU 15 H GLU 15 2.968 -7.444 22.773 1408 HA GLU 15 HA GLU 15 5.579 -6.921 21.557 1409 1HB GLU 15 1HB GLU 15 6.635 -8.052 23.586 1410 2HB GLU 15 2HB GLU 15 6.080 -6.397 23.798 1411 1HG GLU 15 1HG GLU 15 4.183 -8.567 24.473 1412 2HG GLU 15 2HG GLU 15 5.557 -8.316 25.549 1413 H THR 16 H THR 16 4.827 -8.352 19.917 1414 HA THR 16 HA THR 16 4.537 -11.158 20.736 1415 HB THR 16 HB THR 16 3.888 -9.888 18.070 1416 HG1 THR 16 HG1 THR 16 2.247 -10.530 20.286 1417 1HG2 THR 16 1HG2 THR 16 2.653 -12.423 18.961 1418 2HG2 THR 16 2HG2 THR 16 4.321 -12.482 18.388 1419 3HG2 THR 16 3HG2 THR 16 3.049 -11.856 17.338 1420 H THR 17 H THR 17 6.216 -12.462 20.490 1421 HA THR 17 HA THR 17 8.635 -11.646 19.282 1422 HB THR 17 HB THR 17 7.914 -14.519 19.810 1423 HG1 THR 17 HG1 THR 17 7.380 -13.803 21.729 1424 1HG2 THR 17 1HG2 THR 17 10.199 -14.758 20.474 1425 2HG2 THR 17 2HG2 THR 17 10.477 -13.025 20.299 1426 3HG2 THR 17 3HG2 THR 17 10.145 -14.013 18.876 1427 H THR 18 H THR 18 6.362 -14.220 18.306 1428 HA THR 18 HA THR 18 7.590 -14.694 15.812 1429 HB THR 18 HB THR 18 6.208 -16.400 16.755 1430 HG1 THR 18 HG1 THR 18 5.852 -16.755 14.713 1431 1HG2 THR 18 1HG2 THR 18 3.574 -15.610 16.453 1432 2HG2 THR 18 2HG2 THR 18 4.355 -14.249 17.258 1433 3HG2 THR 18 3HG2 THR 18 4.440 -15.861 17.969 1434 H GLU 19 H GLU 19 7.505 -13.616 13.959 1435 HA GLU 19 HA GLU 19 5.335 -11.660 13.568 1436 1HB GLU 19 1HB GLU 19 6.958 -10.288 12.288 1437 2HB GLU 19 2HB GLU 19 7.396 -10.466 13.982 1438 1HG GLU 19 1HG GLU 19 9.227 -11.742 13.523 1439 2HG GLU 19 2HG GLU 19 8.543 -12.387 12.032 1440 H ALA 20 H ALA 20 5.533 -10.963 11.032 1441 HA ALA 20 HA ALA 20 6.016 -13.217 9.303 1442 1HB ALA 20 1HB ALA 20 3.884 -13.824 8.755 1443 2HB ALA 20 2HB ALA 20 3.210 -12.252 9.182 1444 3HB ALA 20 3HB ALA 20 3.649 -13.397 10.450 1445 H VAL 21 H VAL 21 4.332 -10.104 9.546 1446 HA VAL 21 HA VAL 21 5.042 -9.463 6.793 1447 HB VAL 21 HB VAL 21 3.774 -7.324 7.284 1448 1HG1 VAL 21 1HG1 VAL 21 1.756 -8.296 6.753 1449 2HG1 VAL 21 2HG1 VAL 21 2.003 -9.661 7.843 1450 3HG1 VAL 21 3HG1 VAL 21 2.883 -9.582 6.317 1451 1HG2 VAL 21 1HG2 VAL 21 4.109 -7.938 9.879 1452 2HG2 VAL 21 2HG2 VAL 21 2.500 -8.611 9.615 1453 3HG2 VAL 21 3HG2 VAL 21 2.808 -6.905 9.286 1454 H ASP 22 H ASP 22 7.321 -9.337 7.085 1455 HA ASP 22 HA ASP 22 8.290 -7.098 8.715 1456 1HB ASP 22 1HB ASP 22 9.262 -9.476 8.877 1457 2HB ASP 22 2HB ASP 22 10.022 -9.128 7.328 1458 H ALA 23 H ALA 23 9.427 -5.438 7.912 1459 HA ALA 23 HA ALA 23 8.890 -4.463 5.386 1460 1HB ALA 23 1HB ALA 23 11.423 -3.497 6.405 1461 2HB ALA 23 2HB ALA 23 10.188 -3.583 7.664 1462 3HB ALA 23 3HB ALA 23 9.890 -2.648 6.196 1463 H ALA 24 H ALA 24 11.714 -6.285 6.510 1464 HA ALA 24 HA ALA 24 13.190 -6.120 4.102 1465 1HB ALA 24 1HB ALA 24 14.014 -6.777 6.434 1466 2HB ALA 24 2HB ALA 24 14.671 -7.660 5.057 1467 3HB ALA 24 3HB ALA 24 13.412 -8.391 6.052 1468 H THR 25 H THR 25 10.682 -8.270 5.246 1469 HA THR 25 HA THR 25 11.005 -10.354 3.378 1470 HB THR 25 HB THR 25 8.587 -9.356 4.893 1471 HG1 THR 25 HG1 THR 25 10.241 -11.627 5.260 1472 1HG2 THR 25 1HG2 THR 25 7.330 -10.592 3.539 1473 2HG2 THR 25 2HG2 THR 25 8.052 -11.966 4.378 1474 3HG2 THR 25 3HG2 THR 25 8.721 -11.422 2.840 1475 H PHE 26 H PHE 26 9.335 -7.281 3.261 1476 HA PHE 26 HA PHE 26 7.911 -7.697 0.855 1477 1HB PHE 26 1HB PHE 26 7.566 -5.842 2.579 1478 2HB PHE 26 2HB PHE 26 8.927 -5.025 1.818 1479 HD1 PHE 26 HD1 PHE 26 5.638 -6.559 0.987 1480 HD2 PHE 26 HD2 PHE 26 8.541 -3.591 0.052 1481 HE1 PHE 26 HE1 PHE 26 4.116 -5.606 -0.696 1482 HE2 PHE 26 HE2 PHE 26 7.025 -2.632 -1.631 1483 HZ PHE 26 HZ PHE 26 4.809 -3.639 -2.006 1484 H GLU 27 H GLU 27 11.055 -6.193 1.528 1485 HA GLU 27 HA GLU 27 11.682 -5.419 -1.078 1486 1HB GLU 27 1HB GLU 27 13.532 -6.255 1.160 1487 2HB GLU 27 2HB GLU 27 14.041 -5.429 -0.306 1488 1HG GLU 27 1HG GLU 27 12.539 -3.547 0.307 1489 2HG GLU 27 2HG GLU 27 12.218 -4.364 1.835 1490 H LYS 28 H LYS 28 12.563 -8.429 0.623 1491 HA LYS 28 HA LYS 28 13.975 -9.540 -1.545 1492 1HB LYS 28 1HB LYS 28 14.170 -10.231 0.853 1493 2HB LYS 28 2HB LYS 28 12.624 -11.051 0.689 1494 1HG LYS 28 1HG LYS 28 13.513 -12.584 -0.898 1495 2HG LYS 28 2HG LYS 28 15.013 -11.664 -1.031 1496 1HD LYS 28 1HD LYS 28 14.158 -12.758 1.618 1497 2HD LYS 28 2HD LYS 28 14.939 -13.812 0.438 1498 1HE LYS 28 1HE LYS 28 16.121 -11.175 1.260 1499 2HE LYS 28 2HE LYS 28 16.436 -12.662 2.154 1500 1HZ LYS 28 1HZ LYS 28 17.141 -12.046 -0.657 1501 2HZ LYS 28 2HZ LYS 28 17.186 -13.617 -0.032 1502 3HZ LYS 28 3HZ LYS 28 18.185 -12.419 0.621 1503 H VAL 29 H VAL 29 10.626 -10.183 -0.418 1504 HA VAL 29 HA VAL 29 10.046 -12.096 -2.398 1505 HB VAL 29 HB VAL 29 8.134 -10.289 -0.917 1506 1HG1 VAL 29 1HG1 VAL 29 6.432 -11.937 -1.449 1507 2HG1 VAL 29 2HG1 VAL 29 7.612 -12.900 -2.337 1508 3HG1 VAL 29 3HG1 VAL 29 7.148 -11.304 -2.933 1509 1HG2 VAL 29 1HG2 VAL 29 8.443 -13.119 -0.157 1510 2HG2 VAL 29 2HG2 VAL 29 8.205 -11.690 0.850 1511 3HG2 VAL 29 3HG2 VAL 29 9.808 -12.068 0.219 1512 H VAL 30 H VAL 30 9.503 -8.599 -2.298 1513 HA VAL 30 HA VAL 30 8.076 -8.506 -4.750 1514 HB VAL 30 HB VAL 30 9.510 -6.272 -3.303 1515 1HG1 VAL 30 1HG1 VAL 30 8.085 -4.765 -4.578 1516 2HG1 VAL 30 2HG1 VAL 30 7.372 -6.134 -5.430 1517 3HG1 VAL 30 3HG1 VAL 30 9.076 -5.740 -5.662 1518 1HG2 VAL 30 1HG2 VAL 30 7.531 -5.838 -2.158 1519 2HG2 VAL 30 2HG2 VAL 30 7.624 -7.599 -2.144 1520 3HG2 VAL 30 3HG2 VAL 30 6.558 -6.781 -3.286 1521 H LYS 31 H LYS 31 11.498 -7.835 -3.955 1522 HA LYS 31 HA LYS 31 12.213 -7.066 -6.574 1523 1HB LYS 31 1HB LYS 31 13.582 -6.588 -4.565 1524 2HB LYS 31 2HB LYS 31 13.951 -8.302 -4.430 1525 1HG LYS 31 1HG LYS 31 14.896 -8.092 -6.800 1526 2HG LYS 31 2HG LYS 31 14.845 -6.351 -6.520 1527 1HD LYS 31 1HD LYS 31 16.282 -6.586 -4.584 1528 2HD LYS 31 2HD LYS 31 16.267 -8.343 -4.755 1529 1HE LYS 31 1HE LYS 31 17.410 -8.182 -6.880 1530 2HE LYS 31 2HE LYS 31 17.338 -6.421 -6.816 1531 1HZ LYS 31 1HZ LYS 31 18.883 -6.348 -5.094 1532 2HZ LYS 31 2HZ LYS 31 19.498 -7.540 -6.122 1533 3HZ LYS 31 3HZ LYS 31 18.691 -7.983 -4.703 1534 H GLN 32 H GLN 32 12.337 -10.168 -4.875 1535 HA GLN 32 HA GLN 32 13.541 -11.634 -6.964 1536 1HB GLN 32 1HB GLN 32 13.340 -12.313 -4.529 1537 2HB GLN 32 2HB GLN 32 11.673 -12.754 -4.875 1538 1HG GLN 32 1HG GLN 32 12.685 -14.772 -5.142 1539 2HG GLN 32 2HG GLN 32 12.782 -14.160 -6.793 1540 1HE2 GLN 32 1HE2 GLN 32 14.622 -14.904 -7.591 1541 2HE2 GLN 32 2HE2 GLN 32 16.173 -14.774 -6.840 1542 H PHE 33 H PHE 33 10.121 -11.100 -6.098 1543 HA PHE 33 HA PHE 33 9.079 -12.817 -8.078 1544 1HB PHE 33 1HB PHE 33 7.618 -12.457 -6.350 1545 2HB PHE 33 2HB PHE 33 8.006 -10.751 -6.226 1546 HD1 PHE 33 HD1 PHE 33 6.548 -12.975 -8.881 1547 HD2 PHE 33 HD2 PHE 33 6.254 -9.406 -6.584 1548 HE1 PHE 33 HE1 PHE 33 4.444 -12.407 -10.036 1549 HE2 PHE 33 HE2 PHE 33 4.163 -8.823 -7.742 1550 HZ PHE 33 HZ PHE 33 3.254 -10.319 -9.468 1551 H PHE 34 H PHE 34 9.551 -9.286 -8.052 1552 HA PHE 34 HA PHE 34 8.480 -9.061 -10.704 1553 1HB PHE 34 1HB PHE 34 9.673 -7.100 -8.783 1554 2HB PHE 34 2HB PHE 34 9.358 -6.646 -10.459 1555 HD1 PHE 34 HD1 PHE 34 8.011 -6.459 -7.313 1556 HD2 PHE 34 HD2 PHE 34 6.931 -7.630 -11.258 1557 HE1 PHE 34 HE1 PHE 34 5.635 -6.111 -6.765 1558 HE2 PHE 34 HE2 PHE 34 4.559 -7.278 -10.723 1559 HZ PHE 34 HZ PHE 34 3.904 -6.523 -8.477 1560 H ASN 35 H ASN 35 11.724 -9.337 -9.378 1561 HA ASN 35 HA ASN 35 13.202 -8.410 -11.553 1562 1HB ASN 35 1HB ASN 35 13.760 -10.473 -9.453 1563 2HB ASN 35 2HB ASN 35 14.881 -10.289 -10.799 1564 1HD2 ASN 35 1HD2 ASN 35 13.102 -7.564 -9.525 1565 2HD2 ASN 35 2HD2 ASN 35 14.453 -6.788 -8.784 1566 H ASP 36 H ASP 36 11.400 -11.345 -11.185 1567 HA ASP 36 HA ASP 36 12.511 -12.883 -13.251 1568 1HB ASP 36 1HB ASP 36 9.649 -12.900 -12.277 1569 2HB ASP 36 2HB ASP 36 10.460 -14.190 -13.160 1570 H ASN 37 H ASN 37 10.644 -10.057 -13.410 1571 HA ASN 37 HA ASN 37 9.838 -10.631 -16.182 1572 1HB ASN 37 1HB ASN 37 8.179 -8.941 -16.031 1573 2HB ASN 37 2HB ASN 37 8.072 -9.886 -14.550 1574 1HD2 ASN 37 1HD2 ASN 37 7.772 -8.720 -12.820 1575 2HD2 ASN 37 2HD2 ASN 37 8.346 -7.113 -12.551 1576 H GLY 38 H GLY 38 12.065 -8.752 -14.354 1577 1HA GLY 38 1HA GLY 38 13.909 -7.972 -15.889 1578 2HA GLY 38 2HA GLY 38 12.638 -7.142 -16.767 1579 H VAL 39 H VAL 39 12.247 -7.132 -13.358 1580 HA VAL 39 HA VAL 39 12.834 -4.281 -13.313 1581 HB VAL 39 HB VAL 39 11.742 -5.992 -11.075 1582 1HG1 VAL 39 1HG1 VAL 39 10.853 -3.772 -10.295 1583 2HG1 VAL 39 2HG1 VAL 39 11.876 -3.016 -11.517 1584 3HG1 VAL 39 3HG1 VAL 39 12.605 -3.951 -10.211 1585 1HG2 VAL 39 1HG2 VAL 39 10.120 -6.228 -12.718 1586 2HG2 VAL 39 2HG2 VAL 39 10.386 -4.604 -13.355 1587 3HG2 VAL 39 3HG2 VAL 39 9.557 -4.823 -11.813 1588 H ASP 40 H ASP 40 14.382 -3.298 -12.019 1589 HA ASP 40 HA ASP 40 16.015 -4.890 -10.243 1590 1HB ASP 40 1HB ASP 40 17.177 -3.659 -12.749 1591 2HB ASP 40 2HB ASP 40 18.138 -4.275 -11.408 1592 H GLY 41 H GLY 41 18.022 -3.373 -9.606 1593 1HA GLY 41 1HA GLY 41 18.604 -0.987 -9.303 1594 2HA GLY 41 2HA GLY 41 16.886 -0.694 -9.076 1595 H GLU 42 H GLU 42 17.010 0.156 -7.022 1596 HA GLU 42 HA GLU 42 17.443 -1.793 -4.909 1597 1HB GLU 42 1HB GLU 42 19.071 0.711 -5.231 1598 2HB GLU 42 2HB GLU 42 18.787 0.019 -3.639 1599 1HG GLU 42 1HG GLU 42 19.655 -2.174 -4.759 1600 2HG GLU 42 2HG GLU 42 20.373 -1.056 -5.918 1601 H TRP 43 H TRP 43 16.577 -1.127 -2.850 1602 HA TRP 43 HA TRP 43 14.146 0.347 -3.134 1603 1HB TRP 43 1HB TRP 43 15.511 -0.989 -0.810 1604 2HB TRP 43 2HB TRP 43 14.044 -0.039 -0.592 1605 HD1 TRP 43 HD1 TRP 43 15.244 -3.424 -1.674 1606 HE1 TRP 43 HE1 TRP 43 13.236 -4.885 -2.345 1607 HE3 TRP 43 HE3 TRP 43 11.614 0.174 -1.750 1608 HZ2 TRP 43 HZ2 TRP 43 10.475 -4.555 -2.842 1609 HZ3 TRP 43 HZ3 TRP 43 9.316 -0.480 -2.333 1610 HH2 TRP 43 HH2 TRP 43 8.759 -2.796 -2.869 1611 H THR 44 H THR 44 13.910 2.442 -3.035 1612 HA THR 44 HA THR 44 15.876 4.010 -1.507 1613 HB THR 44 HB THR 44 15.324 5.893 -2.993 1614 HG1 THR 44 HG1 THR 44 13.680 5.797 -4.276 1615 1HG2 THR 44 1HG2 THR 44 16.990 3.921 -3.625 1616 2HG2 THR 44 2HG2 THR 44 16.683 5.293 -4.689 1617 3HG2 THR 44 3HG2 THR 44 15.853 3.761 -4.963 1618 H TYR 45 H TYR 45 15.194 5.476 -0.062 1619 HA TYR 45 HA TYR 45 12.584 5.147 1.053 1620 1HB TYR 45 1HB TYR 45 14.944 6.882 1.707 1621 2HB TYR 45 2HB TYR 45 13.391 7.174 2.484 1622 HD1 TYR 45 HD1 TYR 45 16.344 5.099 2.402 1623 HD2 TYR 45 HD2 TYR 45 12.355 5.352 3.860 1624 HE1 TYR 45 HE1 TYR 45 16.840 3.343 4.051 1625 HE2 TYR 45 HE2 TYR 45 12.839 3.598 5.511 1626 HH TYR 45 HH TYR 45 15.797 2.702 6.430 1627 H ASP 46 H ASP 46 10.883 6.622 1.148 1628 HA ASP 46 HA ASP 46 10.535 8.227 -1.182 1629 1HB ASP 46 1HB ASP 46 8.894 7.703 1.280 1630 2HB ASP 46 2HB ASP 46 8.421 8.972 0.155 1631 H ASP 47 H ASP 47 10.082 10.514 -1.226 1632 HA ASP 47 HA ASP 47 11.979 12.049 0.208 1633 1HB ASP 47 1HB ASP 47 9.613 12.912 -1.470 1634 2HB ASP 47 2HB ASP 47 10.855 14.003 -0.863 1635 H ALA 48 H ALA 48 11.799 13.316 1.991 1636 HA ALA 48 HA ALA 48 9.921 12.757 3.943 1637 1HB ALA 48 1HB ALA 48 12.000 13.714 4.569 1638 2HB ALA 48 2HB ALA 48 10.744 14.859 5.042 1639 3HB ALA 48 3HB ALA 48 11.706 15.154 3.593 1640 H THR 49 H THR 49 8.005 13.567 4.566 1641 HA THR 49 HA THR 49 6.903 15.869 3.108 1642 HB THR 49 HB THR 49 5.324 13.378 3.770 1643 HG1 THR 49 HG1 THR 49 6.545 12.692 2.145 1644 1HG2 THR 49 1HG2 THR 49 3.971 15.402 3.559 1645 2HG2 THR 49 2HG2 THR 49 3.665 14.262 2.249 1646 3HG2 THR 49 3HG2 THR 49 4.660 15.690 1.962 1647 H LYS 50 H LYS 50 5.174 16.980 4.236 1648 HA LYS 50 HA LYS 50 5.317 16.571 7.152 1649 1HB LYS 50 1HB LYS 50 6.216 18.752 5.915 1650 2HB LYS 50 2HB LYS 50 4.524 19.212 6.029 1651 1HG LYS 50 1HG LYS 50 5.381 20.112 7.956 1652 2HG LYS 50 2HG LYS 50 4.789 18.551 8.530 1653 1HD LYS 50 1HD LYS 50 6.960 18.851 9.453 1654 2HD LYS 50 2HD LYS 50 7.111 17.655 8.163 1655 1HE LYS 50 1HE LYS 50 8.818 18.936 7.469 1656 2HE LYS 50 2HE LYS 50 7.553 19.969 6.806 1657 1HZ LYS 50 1HZ LYS 50 7.716 21.436 8.589 1658 2HZ LYS 50 2HZ LYS 50 9.327 21.047 8.256 1659 3HZ LYS 50 3HZ LYS 50 8.538 20.329 9.568 1660 H THR 51 H THR 51 3.450 16.784 8.375 1661 HA THR 51 HA THR 51 0.911 17.139 6.968 1662 HB THR 51 HB THR 51 1.667 14.715 8.616 1663 HG1 THR 51 HG1 THR 51 0.750 15.049 5.955 1664 1HG2 THR 51 1HG2 THR 51 -1.059 15.531 7.634 1665 2HG2 THR 51 2HG2 THR 51 -0.557 15.276 9.305 1666 3HG2 THR 51 3HG2 THR 51 -0.634 13.912 8.191 1667 H PHE 52 H PHE 52 -0.383 18.468 8.075 1668 HA PHE 52 HA PHE 52 0.384 19.329 10.719 1669 1HB PHE 52 1HB PHE 52 -0.421 20.912 8.961 1670 2HB PHE 52 2HB PHE 52 -2.014 20.174 9.085 1671 HD1 PHE 52 HD1 PHE 52 0.499 22.204 10.843 1672 HD2 PHE 52 HD2 PHE 52 -3.474 20.680 10.894 1673 HE1 PHE 52 HE1 PHE 52 -0.061 23.737 12.684 1674 HE2 PHE 52 HE2 PHE 52 -4.042 22.210 12.735 1675 HZ PHE 52 HZ PHE 52 -2.335 23.742 13.632 1676 H THR 53 H THR 53 -0.265 18.348 12.513 1677 HA THR 53 HA THR 53 -2.648 16.664 12.450 1678 HB THR 53 HB THR 53 -0.558 17.036 14.608 1679 HG1 THR 53 HG1 THR 53 0.086 14.941 13.906 1680 1HG2 THR 53 1HG2 THR 53 -1.786 14.565 14.919 1681 2HG2 THR 53 2HG2 THR 53 -3.109 15.708 14.680 1682 3HG2 THR 53 3HG2 THR 53 -1.936 15.972 15.971 1683 H VAL 54 H VAL 54 -4.553 17.369 13.174 1684 HA VAL 54 HA VAL 54 -4.848 19.978 14.269 1685 HB VAL 54 HB VAL 54 -6.977 17.854 14.350 1686 1HG1 VAL 54 1HG1 VAL 54 -6.995 20.859 14.189 1687 2HG1 VAL 54 2HG1 VAL 54 -7.603 19.839 15.492 1688 3HG1 VAL 54 3HG1 VAL 54 -8.428 19.864 13.934 1689 1HG2 VAL 54 1HG2 VAL 54 -5.953 19.411 11.999 1690 2HG2 VAL 54 2HG2 VAL 54 -7.626 18.856 12.071 1691 3HG2 VAL 54 3HG2 VAL 54 -6.306 17.687 12.120 1692 H THR 55 H THR 55 -5.803 20.528 16.312 1693 HA THR 55 HA THR 55 -5.703 18.527 18.416 1694 HB THR 55 HB THR 55 -4.039 21.046 18.536 1695 HG1 THR 55 HG1 THR 55 -2.300 19.564 18.565 1696 1HG2 THR 55 1HG2 THR 55 -3.388 20.525 20.670 1697 2HG2 THR 55 2HG2 THR 55 -3.847 18.830 20.514 1698 3HG2 THR 55 3HG2 THR 55 -5.091 20.067 20.703 1699 H GLU 56 H GLU 56 -5.718 22.075 18.305 1700 HA GLU 56 HA GLU 56 -8.155 22.047 19.937 1701 1HB GLU 56 1HB GLU 56 -5.958 24.033 19.511 1702 2HB GLU 56 2HB GLU 56 -7.535 24.599 20.043 1703 1HG GLU 56 1HG GLU 56 -7.357 22.903 21.914 1704 2HG GLU 56 2HG GLU 56 -5.667 22.721 21.449 Start of MODEL 20 1 1H MET 1 1H MET 1 10.302 21.583 -0.022 2 2H MET 1 2H MET 1 10.213 20.379 -1.242 3 3H MET 1 3H MET 1 11.531 20.394 -0.144 4 HA MET 1 HA MET 1 10.192 18.730 0.615 5 1HB MET 1 1HB MET 1 10.129 21.324 2.015 6 2HB MET 1 2HB MET 1 8.949 20.150 2.584 7 1HG MET 1 1HG MET 1 11.914 19.675 2.374 8 2HG MET 1 2HG MET 1 11.043 20.076 3.853 9 1HE MET 1 1HE MET 1 8.273 17.898 2.846 10 2HE MET 1 2HE MET 1 8.764 18.806 4.277 11 3HE MET 1 3HE MET 1 8.709 17.044 4.326 12 H GLN 2 H GLN 2 8.234 17.728 0.827 13 HA GLN 2 HA GLN 2 6.017 18.980 -0.626 14 1HB GLN 2 1HB GLN 2 5.038 16.717 -0.716 15 2HB GLN 2 2HB GLN 2 6.651 16.776 -1.416 16 1HG GLN 2 1HG GLN 2 7.548 15.872 0.713 17 2HG GLN 2 2HG GLN 2 5.888 15.694 1.283 18 1HE2 GLN 2 1HE2 GLN 2 8.248 14.600 -1.051 19 2HE2 GLN 2 2HE2 GLN 2 7.454 13.120 -1.453 20 H TYR 3 H TYR 3 4.257 19.721 0.370 21 HA TYR 3 HA TYR 3 3.956 19.115 3.229 22 1HB TYR 3 1HB TYR 3 3.308 21.530 1.585 23 2HB TYR 3 2HB TYR 3 2.452 21.243 3.097 24 HD1 TYR 3 HD1 TYR 3 5.413 22.552 1.597 25 HD2 TYR 3 HD2 TYR 3 3.869 20.910 5.204 26 HE1 TYR 3 HE1 TYR 3 7.285 23.548 2.845 27 HE2 TYR 3 HE2 TYR 3 5.733 21.902 6.463 28 HH TYR 3 HH TYR 3 8.055 22.677 6.008 29 H LYS 4 H LYS 4 2.247 18.152 3.993 30 HA LYS 4 HA LYS 4 0.013 17.558 2.169 31 1HB LYS 4 1HB LYS 4 1.372 15.658 3.168 32 2HB LYS 4 2HB LYS 4 0.679 16.099 4.723 33 1HG LYS 4 1HG LYS 4 -1.460 15.444 4.097 34 2HG LYS 4 2HG LYS 4 -1.077 15.501 2.376 35 1HD LYS 4 1HD LYS 4 0.364 13.557 2.611 36 2HD LYS 4 2HD LYS 4 0.062 13.521 4.348 37 1HE LYS 4 1HE LYS 4 -2.281 13.057 3.967 38 2HE LYS 4 2HE LYS 4 -2.055 13.206 2.225 39 1HZ LYS 4 1HZ LYS 4 -0.466 11.309 2.403 40 2HZ LYS 4 2HZ LYS 4 -2.073 10.910 2.752 41 3HZ LYS 4 3HZ LYS 4 -0.959 11.107 4.009 42 H VAL 5 H VAL 5 -1.883 18.481 2.539 43 HA VAL 5 HA VAL 5 -2.654 19.174 5.281 44 HB VAL 5 HB VAL 5 -2.920 21.165 3.026 45 1HG1 VAL 5 1HG1 VAL 5 -3.839 22.632 4.561 46 2HG1 VAL 5 2HG1 VAL 5 -3.167 21.767 5.945 47 3HG1 VAL 5 3HG1 VAL 5 -4.534 21.090 5.062 48 1HG2 VAL 5 1HG2 VAL 5 -0.605 21.062 3.464 49 2HG2 VAL 5 2HG2 VAL 5 -0.860 20.929 5.205 50 3HG2 VAL 5 3HG2 VAL 5 -1.197 22.450 4.378 51 H ILE 6 H ILE 6 -4.669 18.529 5.697 52 HA ILE 6 HA ILE 6 -6.383 17.768 3.457 53 HB ILE 6 HB ILE 6 -6.828 17.239 6.393 54 1HG1 ILE 6 1HG1 ILE 6 -5.630 15.364 4.346 55 2HG1 ILE 6 2HG1 ILE 6 -4.679 16.276 5.513 56 1HG2 ILE 6 1HG2 ILE 6 -8.850 17.022 5.148 57 2HG2 ILE 6 2HG2 ILE 6 -8.259 15.398 5.494 58 3HG2 ILE 6 3HG2 ILE 6 -8.040 16.093 3.887 59 1HD1 ILE 6 1HD1 ILE 6 -5.883 15.134 7.332 60 2HD1 ILE 6 2HD1 ILE 6 -4.995 14.022 6.288 61 3HD1 ILE 6 3HD1 ILE 6 -6.742 14.175 6.128 62 H LEU 7 H LEU 7 -7.864 19.152 2.765 63 HA LEU 7 HA LEU 7 -8.926 21.164 4.628 64 1HB LEU 7 1HB LEU 7 -8.339 21.144 1.747 65 2HB LEU 7 2HB LEU 7 -9.880 21.872 2.155 66 HG LEU 7 HG LEU 7 -8.212 23.071 3.965 67 1HD1 LEU 7 1HD1 LEU 7 -6.298 21.947 2.749 68 2HD1 LEU 7 2HD1 LEU 7 -6.188 23.698 2.938 69 3HD1 LEU 7 3HD1 LEU 7 -6.669 23.007 1.388 70 1HD2 LEU 7 1HD2 LEU 7 -8.991 23.969 1.194 71 2HD2 LEU 7 2HD2 LEU 7 -8.313 25.030 2.432 72 3HD2 LEU 7 3HD2 LEU 7 -9.873 24.249 2.696 73 H ASN 8 H ASN 8 -10.953 20.967 5.364 74 HA ASN 8 HA ASN 8 -13.018 19.734 3.766 75 1HB ASN 8 1HB ASN 8 -11.750 17.859 4.987 76 2HB ASN 8 2HB ASN 8 -12.475 18.499 6.460 77 1HD2 ASN 8 1HD2 ASN 8 -12.810 15.935 4.982 78 2HD2 ASN 8 2HD2 ASN 8 -14.513 15.782 4.740 79 H GLY 9 H GLY 9 -14.631 21.141 3.980 80 1HA GLY 9 1HA GLY 9 -14.922 22.640 6.473 81 2HA GLY 9 2HA GLY 9 -15.730 22.988 4.953 82 H LYS 10 H LYS 10 -15.583 19.967 6.821 83 HA LYS 10 HA LYS 10 -17.208 18.636 7.690 84 1HB LYS 10 1HB LYS 10 -18.672 21.269 7.943 85 2HB LYS 10 2HB LYS 10 -19.190 19.762 8.686 86 1HG LYS 10 1HG LYS 10 -17.565 19.822 10.277 87 2HG LYS 10 2HG LYS 10 -16.434 20.702 9.248 88 1HD LYS 10 1HD LYS 10 -17.264 22.731 9.841 89 2HD LYS 10 2HD LYS 10 -18.911 22.123 10.023 90 1HE LYS 10 1HE LYS 10 -18.168 22.714 12.194 91 2HE LYS 10 2HE LYS 10 -18.125 20.952 12.111 92 1HZ LYS 10 1HZ LYS 10 -15.687 21.296 11.460 93 2HZ LYS 10 2HZ LYS 10 -16.114 21.509 13.083 94 3HZ LYS 10 3HZ LYS 10 -15.871 22.856 12.090 95 H THR 11 H THR 11 -19.616 18.006 7.427 96 HA THR 11 HA THR 11 -20.157 17.968 4.558 97 HB THR 11 HB THR 11 -21.828 16.415 6.465 98 HG1 THR 11 HG1 THR 11 -20.221 14.895 6.766 99 1HG2 THR 11 1HG2 THR 11 -20.774 16.083 3.720 100 2HG2 THR 11 2HG2 THR 11 -22.379 15.748 4.372 101 3HG2 THR 11 3HG2 THR 11 -21.049 14.631 4.683 102 H LEU 12 H LEU 12 -22.689 17.720 4.158 103 HA LEU 12 HA LEU 12 -23.790 20.285 4.659 104 1HB LEU 12 1HB LEU 12 -25.804 19.387 3.530 105 2HB LEU 12 2HB LEU 12 -24.325 19.146 2.618 106 HG LEU 12 HG LEU 12 -24.963 16.871 4.328 107 1HD1 LEU 12 1HD1 LEU 12 -27.247 17.408 3.940 108 2HD1 LEU 12 2HD1 LEU 12 -26.824 16.088 2.852 109 3HD1 LEU 12 3HD1 LEU 12 -26.944 17.735 2.233 110 1HD2 LEU 12 1HD2 LEU 12 -24.770 15.776 1.997 111 2HD2 LEU 12 2HD2 LEU 12 -23.335 16.500 2.719 112 3HD2 LEU 12 3HD2 LEU 12 -24.228 17.370 1.469 113 H LYS 13 H LYS 13 -24.132 17.173 6.197 114 HA LYS 13 HA LYS 13 -26.384 18.090 7.806 115 1HB LYS 13 1HB LYS 13 -24.946 15.432 7.877 116 2HB LYS 13 2HB LYS 13 -26.476 15.816 8.655 117 1HG LYS 13 1HG LYS 13 -27.441 16.236 6.399 118 2HG LYS 13 2HG LYS 13 -25.929 15.653 5.701 119 1HD LYS 13 1HD LYS 13 -26.244 13.485 6.688 120 2HD LYS 13 2HD LYS 13 -27.659 14.052 7.581 121 1HE LYS 13 1HE LYS 13 -27.412 13.864 4.581 122 2HE LYS 13 2HE LYS 13 -28.307 12.751 5.616 123 1HZ LYS 13 1HZ LYS 13 -29.867 14.254 4.726 124 2HZ LYS 13 2HZ LYS 13 -28.905 15.602 5.073 125 3HZ LYS 13 3HZ LYS 13 -29.636 14.740 6.331 126 H GLY 14 H GLY 14 -26.045 19.174 9.617 127 1HA GLY 14 1HA GLY 14 -24.807 18.499 11.871 128 2HA GLY 14 2HA GLY 14 -23.440 19.064 10.919 129 H GLU 15 H GLU 15 -22.994 21.180 10.902 130 HA GLU 15 HA GLU 15 -25.086 23.080 11.671 131 1HB GLU 15 1HB GLU 15 -22.522 22.564 13.101 132 2HB GLU 15 2HB GLU 15 -23.082 24.225 12.991 133 1HG GLU 15 1HG GLU 15 -25.136 23.664 14.099 134 2HG GLU 15 2HG GLU 15 -24.723 21.951 14.082 135 H THR 16 H THR 16 -24.922 25.084 10.745 136 HA THR 16 HA THR 16 -24.473 26.509 9.029 137 HB THR 16 HB THR 16 -22.818 27.131 10.761 138 HG1 THR 16 HG1 THR 16 -22.740 28.540 9.154 139 1HG2 THR 16 1HG2 THR 16 -20.404 26.628 10.197 140 2HG2 THR 16 2HG2 THR 16 -21.020 25.298 9.216 141 3HG2 THR 16 3HG2 THR 16 -21.334 25.334 10.951 142 H THR 17 H THR 17 -22.528 26.912 7.228 143 HA THR 17 HA THR 17 -21.751 24.457 5.930 144 HB THR 17 HB THR 17 -23.024 25.384 3.785 145 HG1 THR 17 HG1 THR 17 -23.992 27.131 4.825 146 1HG2 THR 17 1HG2 THR 17 -24.657 23.753 4.025 147 2HG2 THR 17 2HG2 THR 17 -24.692 23.912 5.781 148 3HG2 THR 17 3HG2 THR 17 -23.313 23.149 4.992 149 H THR 18 H THR 18 -21.012 25.115 3.543 150 HA THR 18 HA THR 18 -19.528 26.218 2.240 151 HB THR 18 HB THR 18 -19.545 28.545 2.128 152 HG1 THR 18 HG1 THR 18 -18.926 29.318 4.018 153 1HG2 THR 18 1HG2 THR 18 -21.870 27.505 1.977 154 2HG2 THR 18 2HG2 THR 18 -21.755 29.249 2.214 155 3HG2 THR 18 3HG2 THR 18 -22.139 28.197 3.577 156 H GLU 19 H GLU 19 -19.048 27.647 5.493 157 HA GLU 19 HA GLU 19 -17.198 27.801 6.812 158 1HB GLU 19 1HB GLU 19 -16.878 25.163 5.464 159 2HB GLU 19 2HB GLU 19 -15.504 25.800 6.358 160 1HG GLU 19 1HG GLU 19 -18.103 25.861 7.746 161 2HG GLU 19 2HG GLU 19 -17.404 24.269 7.453 162 H ALA 20 H ALA 20 -14.641 27.733 6.692 163 HA ALA 20 HA ALA 20 -13.939 29.347 4.352 164 1HB ALA 20 1HB ALA 20 -13.374 30.610 6.176 165 2HB ALA 20 2HB ALA 20 -11.848 29.776 5.884 166 3HB ALA 20 3HB ALA 20 -12.937 29.206 7.150 167 H VAL 21 H VAL 21 -12.971 26.468 6.117 168 HA VAL 21 HA VAL 21 -10.626 26.011 4.534 169 HB VAL 21 HB VAL 21 -10.736 25.158 6.817 170 1HG1 VAL 21 1HG1 VAL 21 -12.186 22.890 6.882 171 2HG1 VAL 21 2HG1 VAL 21 -13.201 23.883 5.834 172 3HG1 VAL 21 3HG1 VAL 21 -12.775 24.453 7.447 173 1HG2 VAL 21 1HG2 VAL 21 -10.215 22.677 6.220 174 2HG2 VAL 21 2HG2 VAL 21 -9.172 23.966 5.621 175 3HG2 VAL 21 3HG2 VAL 21 -10.377 23.240 4.556 176 H ASP 22 H ASP 22 -11.992 26.388 2.558 177 HA ASP 22 HA ASP 22 -13.317 23.935 1.624 178 1HB ASP 22 1HB ASP 22 -13.603 26.817 0.966 179 2HB ASP 22 2HB ASP 22 -13.832 25.671 -0.353 180 H ALA 23 H ALA 23 -12.771 22.971 -0.287 181 HA ALA 23 HA ALA 23 -10.104 22.696 -0.909 182 1HB ALA 23 1HB ALA 23 -11.766 22.179 -3.206 183 2HB ALA 23 2HB ALA 23 -12.523 21.598 -1.722 184 3HB ALA 23 3HB ALA 23 -10.906 21.046 -2.163 185 H ALA 24 H ALA 24 -12.527 24.770 -2.455 186 HA ALA 24 HA ALA 24 -10.828 25.761 -4.497 187 1HB ALA 24 1HB ALA 24 -13.445 25.842 -4.206 188 2HB ALA 24 2HB ALA 24 -12.592 27.075 -5.133 189 3HB ALA 24 3HB ALA 24 -13.088 27.405 -3.473 190 H THR 25 H THR 25 -11.482 26.736 -1.198 191 HA THR 25 HA THR 25 -10.343 29.308 -1.271 192 HB THR 25 HB THR 25 -10.756 27.309 0.951 193 HG1 THR 25 HG1 THR 25 -12.031 29.716 0.184 194 1HG2 THR 25 1HG2 THR 25 -10.519 29.787 2.154 195 2HG2 THR 25 2HG2 THR 25 -9.128 29.690 1.074 196 3HG2 THR 25 3HG2 THR 25 -9.395 28.432 2.285 197 H PHE 26 H PHE 26 -8.977 26.119 -0.724 198 HA PHE 26 HA PHE 26 -6.385 26.948 0.034 199 1HB PHE 26 1HB PHE 26 -7.275 24.651 0.374 200 2HB PHE 26 2HB PHE 26 -7.171 24.384 -1.364 201 HD1 PHE 26 HD1 PHE 26 -5.139 25.177 1.632 202 HD2 PHE 26 HD2 PHE 26 -5.184 23.652 -2.340 203 HE1 PHE 26 HE1 PHE 26 -2.804 24.444 1.892 204 HE2 PHE 26 HE2 PHE 26 -2.851 22.915 -2.087 205 HZ PHE 26 HZ PHE 26 -1.657 23.310 0.030 206 H GLU 27 H GLU 27 -7.680 25.890 -3.106 207 HA GLU 27 HA GLU 27 -5.373 26.167 -4.620 208 1HB GLU 27 1HB GLU 27 -8.252 26.578 -5.433 209 2HB GLU 27 2HB GLU 27 -6.914 26.435 -6.564 210 1HG GLU 27 1HG GLU 27 -6.504 24.187 -5.930 211 2HG GLU 27 2HG GLU 27 -7.605 24.310 -4.557 212 H LYS 28 H LYS 28 -7.932 28.589 -4.075 213 HA LYS 28 HA LYS 28 -6.708 30.598 -5.634 214 1HB LYS 28 1HB LYS 28 -9.121 30.514 -4.990 215 2HB LYS 28 2HB LYS 28 -8.656 30.991 -3.363 216 1HG LYS 28 1HG LYS 28 -7.743 33.082 -4.229 217 2HG LYS 28 2HG LYS 28 -8.198 32.603 -5.865 218 1HD LYS 28 1HD LYS 28 -10.314 32.588 -3.779 219 2HD LYS 28 2HD LYS 28 -9.745 34.155 -4.363 220 1HE LYS 28 1HE LYS 28 -10.584 31.959 -6.233 221 2HE LYS 28 2HE LYS 28 -11.741 33.109 -5.563 222 1HZ LYS 28 1HZ LYS 28 -9.429 33.683 -7.326 223 2HZ LYS 28 2HZ LYS 28 -10.260 34.893 -6.486 224 3HZ LYS 28 3HZ LYS 28 -11.070 33.957 -7.639 225 H VAL 29 H VAL 29 -6.740 30.117 -2.080 226 HA VAL 29 HA VAL 29 -5.211 32.408 -1.488 227 HB VAL 29 HB VAL 29 -5.460 29.856 0.107 228 1HG1 VAL 29 1HG1 VAL 29 -4.646 32.619 1.010 229 2HG1 VAL 29 2HG1 VAL 29 -3.546 31.255 0.786 230 3HG1 VAL 29 3HG1 VAL 29 -4.801 31.186 2.025 231 1HG2 VAL 29 1HG2 VAL 29 -7.542 31.315 -0.575 232 2HG2 VAL 29 2HG2 VAL 29 -6.965 32.345 0.736 233 3HG2 VAL 29 3HG2 VAL 29 -7.382 30.661 1.055 234 H VAL 30 H VAL 30 -4.280 29.037 -2.024 235 HA VAL 30 HA VAL 30 -1.539 29.416 -1.398 236 HB VAL 30 HB VAL 30 -2.814 27.238 -3.063 237 1HG1 VAL 30 1HG1 VAL 30 -0.394 27.404 -3.435 238 2HG1 VAL 30 2HG1 VAL 30 -0.818 25.933 -2.559 239 3HG1 VAL 30 3HG1 VAL 30 -0.124 27.303 -1.694 240 1HG2 VAL 30 1HG2 VAL 30 -3.277 26.094 -1.153 241 2HG2 VAL 30 2HG2 VAL 30 -3.406 27.733 -0.514 242 3HG2 VAL 30 3HG2 VAL 30 -1.928 26.805 -0.268 243 H LYS 31 H LYS 31 -3.304 29.389 -4.491 244 HA LYS 31 HA LYS 31 -1.003 29.686 -6.106 245 1HB LYS 31 1HB LYS 31 -3.241 28.943 -6.926 246 2HB LYS 31 2HB LYS 31 -3.820 30.591 -6.723 247 1HG LYS 31 1HG LYS 31 -1.778 31.162 -8.266 248 2HG LYS 31 2HG LYS 31 -1.948 29.472 -8.744 249 1HD LYS 31 1HD LYS 31 -4.214 29.830 -9.438 250 2HD LYS 31 2HD LYS 31 -4.211 31.463 -8.770 251 1HE LYS 31 1HE LYS 31 -2.275 31.911 -10.393 252 2HE LYS 31 2HE LYS 31 -2.771 30.418 -11.188 253 1HZ LYS 31 1HZ LYS 31 -4.666 32.632 -10.670 254 2HZ LYS 31 2HZ LYS 31 -4.850 31.326 -11.727 255 3HZ LYS 31 3HZ LYS 31 -3.739 32.551 -12.084 256 H GLN 32 H GLN 32 -3.278 32.024 -4.726 257 HA GLN 32 HA GLN 32 -2.117 34.316 -5.903 258 1HB GLN 32 1HB GLN 32 -4.401 34.252 -4.942 259 2HB GLN 32 2HB GLN 32 -3.697 34.138 -3.334 260 1HG GLN 32 1HG GLN 32 -4.054 36.370 -3.400 261 2HG GLN 32 2HG GLN 32 -2.450 36.334 -4.134 262 1HE2 GLN 32 1HE2 GLN 32 -2.825 38.265 -5.225 263 2HE2 GLN 32 2HE2 GLN 32 -3.863 38.354 -6.603 264 H PHE 33 H PHE 33 -1.567 32.681 -2.790 265 HA PHE 33 HA PHE 33 0.218 34.612 -1.772 266 1HB PHE 33 1HB PHE 33 -0.779 33.382 -0.128 267 2HB PHE 33 2HB PHE 33 -0.706 31.888 -1.039 268 HD1 PHE 33 HD1 PHE 33 1.846 34.282 0.361 269 HD2 PHE 33 HD2 PHE 33 0.444 30.282 -0.017 270 HE1 PHE 33 HE1 PHE 33 3.714 33.489 1.766 271 HE2 PHE 33 HE2 PHE 33 2.311 29.483 1.368 272 HZ PHE 33 HZ PHE 33 3.953 31.082 2.259 273 H PHE 34 H PHE 34 0.803 31.468 -3.345 274 HA PHE 34 HA PHE 34 3.638 31.860 -3.181 275 1HB PHE 34 1HB PHE 34 1.905 29.714 -4.334 276 2HB PHE 34 2HB PHE 34 3.629 29.765 -4.711 277 HD1 PHE 34 HD1 PHE 34 1.373 28.263 -2.610 278 HD2 PHE 34 HD2 PHE 34 5.057 30.390 -2.457 279 HE1 PHE 34 HE1 PHE 34 1.873 27.240 -0.425 280 HE2 PHE 34 HE2 PHE 34 5.566 29.366 -0.281 281 HZ PHE 34 HZ PHE 34 3.977 27.793 0.741 282 H ASN 35 H ASN 35 1.221 32.488 -5.650 283 HA ASN 35 HA ASN 35 2.893 32.674 -7.884 284 1HB ASN 35 1HB ASN 35 0.316 34.016 -7.153 285 2HB ASN 35 2HB ASN 35 1.189 34.554 -8.584 286 1HD2 ASN 35 1HD2 ASN 35 1.233 31.216 -7.518 287 2HD2 ASN 35 2HD2 ASN 35 0.283 30.599 -8.817 288 H ASP 36 H ASP 36 2.545 34.790 -5.174 289 HA ASP 36 HA ASP 36 3.647 37.151 -6.204 290 1HB ASP 36 1HB ASP 36 3.771 36.092 -3.374 291 2HB ASP 36 2HB ASP 36 4.081 37.756 -3.861 292 H ASN 37 H ASN 37 5.133 34.169 -5.570 293 HA ASN 37 HA ASN 37 7.796 35.423 -5.435 294 1HB ASN 37 1HB ASN 37 8.671 33.415 -4.495 295 2HB ASN 37 2HB ASN 37 7.184 33.788 -3.633 296 1HD2 ASN 37 1HD2 ASN 37 5.941 32.121 -3.266 297 2HD2 ASN 37 2HD2 ASN 37 5.832 30.691 -4.231 298 H GLY 38 H GLY 38 5.740 33.741 -7.589 299 1HA GLY 38 1HA GLY 38 6.631 33.948 -9.924 300 2HA GLY 38 2HA GLY 38 8.064 33.136 -9.313 301 H VAL 39 H VAL 39 5.089 31.996 -8.027 302 HA VAL 39 HA VAL 39 5.436 29.498 -9.484 303 HB VAL 39 HB VAL 39 3.389 30.096 -7.349 304 1HG1 VAL 39 1HG1 VAL 39 3.715 27.546 -7.053 305 2HG1 VAL 39 2HG1 VAL 39 4.392 27.608 -8.681 306 3HG1 VAL 39 3HG1 VAL 39 2.731 28.130 -8.395 307 1HG2 VAL 39 1HG2 VAL 39 5.080 28.806 -5.899 308 2HG2 VAL 39 2HG2 VAL 39 5.395 30.507 -6.239 309 3HG2 VAL 39 3HG2 VAL 39 6.257 29.255 -7.133 310 H ASP 40 H ASP 40 3.934 28.573 -10.839 311 HA ASP 40 HA ASP 40 1.389 29.853 -11.323 312 1HB ASP 40 1HB ASP 40 3.649 30.001 -13.296 313 2HB ASP 40 2HB ASP 40 1.977 29.991 -13.847 314 H GLY 41 H GLY 41 0.446 28.745 -13.475 315 1HA GLY 41 1HA GLY 41 0.518 26.611 -14.720 316 2HA GLY 41 2HA GLY 41 0.993 25.852 -13.208 317 H GLU 42 H GLU 42 -0.708 24.435 -13.049 318 HA GLU 42 HA GLU 42 -3.224 25.607 -12.198 319 1HB GLU 42 1HB GLU 42 -3.059 23.674 -14.515 320 2HB GLU 42 2HB GLU 42 -4.549 24.109 -13.688 321 1HG GLU 42 1HG GLU 42 -3.842 26.542 -14.286 322 2HG GLU 42 2HG GLU 42 -2.837 25.746 -15.497 323 H TRP 43 H TRP 43 -4.623 24.071 -11.116 324 HA TRP 43 HA TRP 43 -3.122 22.213 -9.543 325 1HB TRP 43 1HB TRP 43 -6.046 22.937 -9.636 326 2HB TRP 43 2HB TRP 43 -5.413 21.698 -8.556 327 HD1 TRP 43 HD1 TRP 43 -5.778 25.421 -8.903 328 HE1 TRP 43 HE1 TRP 43 -4.768 26.586 -6.841 329 HE3 TRP 43 HE3 TRP 43 -3.406 21.417 -6.784 330 HZ2 TRP 43 HZ2 TRP 43 -3.177 25.900 -4.614 331 HZ3 TRP 43 HZ3 TRP 43 -2.161 21.756 -4.689 332 HH2 TRP 43 HH2 TRP 43 -2.050 23.953 -3.628 333 H THR 44 H THR 44 -2.590 20.265 -10.139 334 HA THR 44 HA THR 44 -4.342 18.822 -12.004 335 HB THR 44 HB THR 44 -2.389 17.533 -12.666 336 HG1 THR 44 HG1 THR 44 -1.016 17.363 -11.058 337 1HG2 THR 44 1HG2 THR 44 -1.653 20.450 -12.620 338 2HG2 THR 44 2HG2 THR 44 -2.715 19.688 -13.802 339 3HG2 THR 44 3HG2 THR 44 -1.019 19.214 -13.706 340 H TYR 45 H TYR 45 -5.022 16.807 -11.542 341 HA TYR 45 HA TYR 45 -5.157 16.048 -8.793 342 1HB TYR 45 1HB TYR 45 -6.162 14.852 -11.353 343 2HB TYR 45 2HB TYR 45 -6.225 13.920 -9.860 344 HD1 TYR 45 HD1 TYR 45 -7.666 16.673 -11.742 345 HD2 TYR 45 HD2 TYR 45 -7.613 14.704 -7.972 346 HE1 TYR 45 HE1 TYR 45 -9.763 17.803 -11.129 347 HE2 TYR 45 HE2 TYR 45 -9.709 15.826 -7.348 348 HH TYR 45 HH TYR 45 -11.721 16.856 -8.705 349 H ASP 46 H ASP 46 -4.180 14.359 -7.726 350 HA ASP 46 HA ASP 46 -1.595 13.588 -8.656 351 1HB ASP 46 1HB ASP 46 -3.237 12.672 -6.285 352 2HB ASP 46 2HB ASP 46 -1.576 12.167 -6.582 353 H ASP 47 H ASP 47 -0.857 11.345 -8.849 354 HA ASP 47 HA ASP 47 -2.455 9.852 -10.646 355 1HB ASP 47 1HB ASP 47 0.182 9.463 -9.310 356 2HB ASP 47 2HB ASP 47 -0.599 8.048 -10.005 357 H ALA 48 H ALA 48 -3.809 8.162 -10.341 358 HA ALA 48 HA ALA 48 -5.046 7.714 -7.908 359 1HB ALA 48 1HB ALA 48 -4.895 5.832 -10.258 360 2HB ALA 48 2HB ALA 48 -6.052 7.147 -10.054 361 3HB ALA 48 3HB ALA 48 -6.082 5.769 -8.955 362 H THR 49 H THR 49 -4.853 6.281 -6.275 363 HA THR 49 HA THR 49 -2.626 4.362 -6.368 364 HB THR 49 HB THR 49 -3.356 5.982 -3.926 365 HG1 THR 49 HG1 THR 49 -2.292 7.534 -4.819 366 1HG2 THR 49 1HG2 THR 49 -0.769 5.293 -3.632 367 2HG2 THR 49 2HG2 THR 49 -1.388 3.882 -4.489 368 3HG2 THR 49 3HG2 THR 49 -2.123 4.382 -2.964 369 H LYS 50 H LYS 50 -2.854 2.543 -4.908 370 HA LYS 50 HA LYS 50 -5.642 2.054 -4.093 371 1HB LYS 50 1HB LYS 50 -3.743 0.262 -5.581 372 2HB LYS 50 2HB LYS 50 -5.065 -0.409 -4.634 373 1HG LYS 50 1HG LYS 50 -6.689 0.493 -6.022 374 2HG LYS 50 2HG LYS 50 -5.585 1.696 -6.692 375 1HD LYS 50 1HD LYS 50 -4.292 -0.376 -7.584 376 2HD LYS 50 2HD LYS 50 -5.816 -1.223 -7.313 377 1HE LYS 50 1HE LYS 50 -6.956 0.082 -8.877 378 2HE LYS 50 2HE LYS 50 -5.726 1.347 -8.855 379 1HZ LYS 50 1HZ LYS 50 -5.588 -1.314 -10.138 380 2HZ LYS 50 2HZ LYS 50 -4.199 -0.400 -9.836 381 3HZ LYS 50 3HZ LYS 50 -5.406 0.209 -10.854 382 H THR 51 H THR 51 -5.822 1.741 -1.994 383 HA THR 51 HA THR 51 -3.504 0.709 -0.502 384 HB THR 51 HB THR 51 -5.770 2.530 0.332 385 HG1 THR 51 HG1 THR 51 -4.056 3.953 0.721 386 1HG2 THR 51 1HG2 THR 51 -4.956 2.604 2.542 387 2HG2 THR 51 2HG2 THR 51 -3.555 1.613 2.141 388 3HG2 THR 51 3HG2 THR 51 -5.168 0.896 2.153 389 H PHE 52 H PHE 52 -3.676 -1.174 0.567 390 HA PHE 52 HA PHE 52 -6.082 -2.731 0.256 391 1HB PHE 52 1HB PHE 52 -3.797 -3.703 -0.002 392 2HB PHE 52 2HB PHE 52 -3.536 -3.452 1.721 393 HD1 PHE 52 HD1 PHE 52 -5.380 -5.388 -0.790 394 HD2 PHE 52 HD2 PHE 52 -4.558 -4.874 3.354 395 HE1 PHE 52 HE1 PHE 52 -6.395 -7.580 -0.321 396 HE2 PHE 52 HE2 PHE 52 -5.570 -7.065 3.830 397 HZ PHE 52 HZ PHE 52 -6.490 -8.422 1.990 398 H THR 53 H THR 53 -7.736 -2.579 1.619 399 HA THR 53 HA THR 53 -7.302 -1.618 4.334 400 HB THR 53 HB THR 53 -9.865 -2.285 2.869 401 HG1 THR 53 HG1 THR 53 -8.600 -0.439 2.121 402 1HG2 THR 53 1HG2 THR 53 -10.923 -0.853 4.617 403 2HG2 THR 53 2HG2 THR 53 -9.414 -0.961 5.526 404 3HG2 THR 53 3HG2 THR 53 -10.346 -2.420 5.186 405 H VAL 54 H VAL 54 -7.073 -2.949 6.017 406 HA VAL 54 HA VAL 54 -7.243 -5.774 5.702 407 HB VAL 54 HB VAL 54 -7.121 -4.395 8.369 408 1HG1 VAL 54 1HG1 VAL 54 -7.169 -6.614 8.844 409 2HG1 VAL 54 2HG1 VAL 54 -5.438 -6.448 8.556 410 3HG1 VAL 54 3HG1 VAL 54 -6.487 -7.076 7.286 411 1HG2 VAL 54 1HG2 VAL 54 -5.035 -4.521 6.244 412 2HG2 VAL 54 2HG2 VAL 54 -4.547 -4.670 7.932 413 3HG2 VAL 54 3HG2 VAL 54 -5.402 -3.229 7.387 414 H THR 55 H THR 55 -8.584 -7.231 6.896 415 HA THR 55 HA THR 55 -11.027 -6.161 8.058 416 HB THR 55 HB THR 55 -11.072 -8.099 5.740 417 HG1 THR 55 HG1 THR 55 -11.861 -5.387 5.948 418 1HG2 THR 55 1HG2 THR 55 -13.015 -8.743 6.629 419 2HG2 THR 55 2HG2 THR 55 -13.613 -7.200 6.024 420 3HG2 THR 55 3HG2 THR 55 -13.099 -7.348 7.706 421 H GLU 56 H GLU 56 -9.958 -9.323 6.849 422 HA GLU 56 HA GLU 56 -9.711 -11.345 7.860 423 1HB GLU 56 1HB GLU 56 -9.280 -9.778 10.406 424 2HB GLU 56 2HB GLU 56 -8.727 -11.410 10.054 425 1HG GLU 56 1HG GLU 56 -7.198 -10.575 8.383 426 2HG GLU 56 2HG GLU 56 -7.802 -8.934 8.616 427 1H MET 1 1H MET 1 -10.549 17.914 1.756 428 2H MET 1 2H MET 1 -10.042 16.493 2.576 429 3H MET 1 3H MET 1 -11.346 16.426 1.464 430 HA MET 1 HA MET 1 -9.589 15.546 0.327 431 1HB MET 1 1HB MET 1 -10.395 18.322 -0.263 432 2HB MET 1 2HB MET 1 -8.939 17.782 -1.089 433 1HG MET 1 1HG MET 1 -11.603 16.382 -1.163 434 2HG MET 1 2HG MET 1 -10.965 17.437 -2.422 435 1HE MET 1 1HE MET 1 -7.618 16.017 -1.954 436 2HE MET 1 2HE MET 1 -8.427 17.103 -3.083 437 3HE MET 1 3HE MET 1 -7.839 15.535 -3.635 438 H GLN 2 H GLN 2 -7.429 15.308 -0.071 439 HA GLN 2 HA GLN 2 -5.647 16.711 1.787 440 1HB GLN 2 1HB GLN 2 -4.012 14.937 1.267 441 2HB GLN 2 2HB GLN 2 -5.525 14.291 1.878 442 1HG GLN 2 1HG GLN 2 -6.197 13.808 -0.461 443 2HG GLN 2 2HG GLN 2 -4.592 14.323 -0.981 444 1HE2 GLN 2 1HE2 GLN 2 -6.393 11.926 0.814 445 2HE2 GLN 2 2HE2 GLN 2 -5.160 10.715 0.817 446 H TYR 3 H TYR 3 -4.247 18.213 1.132 447 HA TYR 3 HA TYR 3 -3.910 18.582 -1.762 448 1HB TYR 3 1HB TYR 3 -3.970 20.500 0.535 449 2HB TYR 3 2HB TYR 3 -3.139 20.941 -0.954 450 HD1 TYR 3 HD1 TYR 3 -6.290 20.768 0.717 451 HD2 TYR 3 HD2 TYR 3 -4.477 20.807 -3.132 452 HE1 TYR 3 HE1 TYR 3 -8.433 21.445 -0.280 453 HE2 TYR 3 HE2 TYR 3 -6.614 21.487 -4.139 454 HH TYR 3 HH TYR 3 -9.035 21.336 -3.597 455 H LYS 4 H LYS 4 -2.025 18.458 -2.689 456 HA LYS 4 HA LYS 4 0.368 18.092 -1.011 457 1HB LYS 4 1HB LYS 4 -0.377 16.234 -2.575 458 2HB LYS 4 2HB LYS 4 0.063 17.296 -3.907 459 1HG LYS 4 1HG LYS 4 2.330 17.193 -3.403 460 2HG LYS 4 2HG LYS 4 2.037 16.632 -1.756 461 1HD LYS 4 1HD LYS 4 1.259 14.488 -2.606 462 2HD LYS 4 2HD LYS 4 1.477 15.049 -4.264 463 1HE LYS 4 1HE LYS 4 3.864 15.248 -3.916 464 2HE LYS 4 2HE LYS 4 3.682 14.810 -2.220 465 1HZ LYS 4 1HZ LYS 4 2.762 12.649 -3.010 466 2HZ LYS 4 2HZ LYS 4 4.390 12.891 -3.389 467 3HZ LYS 4 3HZ LYS 4 3.208 13.082 -4.584 468 H VAL 5 H VAL 5 1.857 19.627 -1.010 469 HA VAL 5 HA VAL 5 2.248 21.282 -3.400 470 HB VAL 5 HB VAL 5 1.982 22.522 -0.660 471 1HG1 VAL 5 1HG1 VAL 5 2.328 24.575 -1.663 472 2HG1 VAL 5 2HG1 VAL 5 1.889 23.983 -3.266 473 3HG1 VAL 5 3HG1 VAL 5 3.441 23.539 -2.557 474 1HG2 VAL 5 1HG2 VAL 5 -0.203 21.835 -1.213 475 2HG2 VAL 5 2HG2 VAL 5 0.000 22.281 -2.907 476 3HG2 VAL 5 3HG2 VAL 5 -0.116 23.536 -1.672 477 H ILE 6 H ILE 6 4.342 21.442 -3.888 478 HA ILE 6 HA ILE 6 6.307 20.645 -1.879 479 HB ILE 6 HB ILE 6 6.762 21.147 -4.820 480 1HG1 ILE 6 1HG1 ILE 6 6.310 18.487 -3.453 481 2HG1 ILE 6 2HG1 ILE 6 5.063 19.350 -4.350 482 1HG2 ILE 6 1HG2 ILE 6 8.805 21.227 -3.592 483 2HG2 ILE 6 2HG2 ILE 6 8.736 19.668 -4.415 484 3HG2 ILE 6 3HG2 ILE 6 8.386 19.770 -2.691 485 1HD1 ILE 6 1HD1 ILE 6 6.481 19.220 -6.364 486 2HD1 ILE 6 2HD1 ILE 6 6.021 17.639 -5.733 487 3HD1 ILE 6 3HD1 ILE 6 7.645 18.265 -5.447 488 H LEU 7 H LEU 7 7.311 22.161 -0.749 489 HA LEU 7 HA LEU 7 7.610 24.851 -1.900 490 1HB LEU 7 1HB LEU 7 7.187 23.820 0.821 491 2HB LEU 7 2HB LEU 7 8.407 25.075 0.715 492 HG LEU 7 HG LEU 7 6.371 26.168 -0.751 493 1HD1 LEU 7 1HD1 LEU 7 4.953 24.208 -0.014 494 2HD1 LEU 7 2HD1 LEU 7 4.299 25.811 0.311 495 3HD1 LEU 7 3HD1 LEU 7 5.039 24.880 1.614 496 1HD2 LEU 7 1HD2 LEU 7 6.952 26.420 2.196 497 2HD2 LEU 7 2HD2 LEU 7 5.923 27.528 1.285 498 3HD2 LEU 7 3HD2 LEU 7 7.635 27.382 0.885 499 H ASN 8 H ASN 8 9.567 25.518 -2.558 500 HA ASN 8 HA ASN 8 11.976 24.567 -1.280 501 1HB ASN 8 1HB ASN 8 11.299 22.841 -3.060 502 2HB ASN 8 2HB ASN 8 11.733 24.073 -4.241 503 1HD2 ASN 8 1HD2 ASN 8 12.899 21.420 -3.563 504 2HD2 ASN 8 2HD2 ASN 8 14.575 21.730 -3.280 505 H GLY 9 H GLY 9 13.073 26.388 -0.985 506 1HA GLY 9 1HA GLY 9 12.663 28.766 -2.442 507 2HA GLY 9 2HA GLY 9 14.008 28.451 -1.356 508 H LYS 10 H LYS 10 14.922 26.124 -2.882 509 HA LYS 10 HA LYS 10 16.429 25.645 -4.516 510 1HB LYS 10 1HB LYS 10 14.565 27.509 -5.963 511 2HB LYS 10 2HB LYS 10 15.974 26.833 -6.766 512 1HG LYS 10 1HG LYS 10 14.254 24.898 -5.366 513 2HG LYS 10 2HG LYS 10 13.543 25.689 -6.772 514 1HD LYS 10 1HD LYS 10 16.186 24.230 -6.730 515 2HD LYS 10 2HD LYS 10 14.670 23.585 -7.364 516 1HE LYS 10 1HE LYS 10 14.673 25.708 -8.847 517 2HE LYS 10 2HE LYS 10 16.386 25.790 -8.442 518 1HZ LYS 10 1HZ LYS 10 16.836 23.849 -9.562 519 2HZ LYS 10 2HZ LYS 10 15.630 24.516 -10.542 520 3HZ LYS 10 3HZ LYS 10 15.248 23.275 -9.460 521 H THR 11 H THR 11 18.368 26.341 -3.803 522 HA THR 11 HA THR 11 19.206 29.033 -4.642 523 HB THR 11 HB THR 11 20.467 27.923 -2.202 524 HG1 THR 11 HG1 THR 11 17.852 29.018 -2.154 525 1HG2 THR 11 1HG2 THR 11 20.066 30.319 -1.454 526 2HG2 THR 11 2HG2 THR 11 19.589 30.635 -3.120 527 3HG2 THR 11 3HG2 THR 11 21.219 30.059 -2.763 528 H LEU 12 H LEU 12 20.522 28.581 -6.312 529 HA LEU 12 HA LEU 12 22.811 26.825 -5.783 530 1HB LEU 12 1HB LEU 12 22.607 26.005 -8.168 531 2HB LEU 12 2HB LEU 12 21.427 25.386 -7.026 532 HG LEU 12 HG LEU 12 20.645 27.793 -8.575 533 1HD1 LEU 12 1HD1 LEU 12 21.039 25.073 -9.786 534 2HD1 LEU 12 2HD1 LEU 12 21.591 26.637 -10.386 535 3HD1 LEU 12 3HD1 LEU 12 19.875 26.233 -10.427 536 1HD2 LEU 12 1HD2 LEU 12 19.032 25.314 -8.191 537 2HD2 LEU 12 2HD2 LEU 12 18.510 26.995 -8.269 538 3HD2 LEU 12 3HD2 LEU 12 19.313 26.387 -6.820 539 H LYS 13 H LYS 13 22.560 29.717 -5.802 540 HA LYS 13 HA LYS 13 24.845 30.353 -7.321 541 1HB LYS 13 1HB LYS 13 23.887 31.861 -8.982 542 2HB LYS 13 2HB LYS 13 23.289 30.222 -9.212 543 1HG LYS 13 1HG LYS 13 21.224 30.884 -7.977 544 2HG LYS 13 2HG LYS 13 21.822 32.543 -7.987 545 1HD LYS 13 1HD LYS 13 21.981 32.333 -10.503 546 2HD LYS 13 2HD LYS 13 21.079 30.826 -10.344 547 1HE LYS 13 1HE LYS 13 19.404 32.287 -8.992 548 2HE LYS 13 2HE LYS 13 20.194 33.632 -9.812 549 1HZ LYS 13 1HZ LYS 13 18.563 31.465 -10.948 550 2HZ LYS 13 2HZ LYS 13 19.739 32.209 -11.911 551 3HZ LYS 13 3HZ LYS 13 18.490 33.131 -11.243 552 H GLY 14 H GLY 14 25.579 32.504 -6.989 553 1HA GLY 14 1HA GLY 14 24.831 33.580 -4.470 554 2HA GLY 14 2HA GLY 14 25.961 34.299 -5.607 555 H GLU 15 H GLU 15 24.004 35.641 -3.970 556 HA GLU 15 HA GLU 15 22.468 37.310 -4.092 557 1HB GLU 15 1HB GLU 15 23.659 37.350 -6.846 558 2HB GLU 15 2HB GLU 15 22.334 38.432 -6.435 559 1HG GLU 15 1HG GLU 15 23.606 39.547 -4.807 560 2HG GLU 15 2HG GLU 15 24.842 38.290 -4.797 561 H THR 16 H THR 16 20.678 35.988 -3.663 562 HA THR 16 HA THR 16 19.074 35.240 -6.016 563 HB THR 16 HB THR 16 18.867 34.155 -3.201 564 HG1 THR 16 HG1 THR 16 20.771 33.451 -4.164 565 1HG2 THR 16 1HG2 THR 16 16.916 33.342 -3.860 566 2HG2 THR 16 2HG2 THR 16 17.816 32.315 -4.973 567 3HG2 THR 16 3HG2 THR 16 17.178 33.866 -5.523 568 H THR 17 H THR 17 18.499 36.112 -2.603 569 HA THR 17 HA THR 17 16.889 37.376 -1.609 570 HB THR 17 HB THR 17 16.593 39.592 -2.490 571 HG1 THR 17 HG1 THR 17 16.295 39.746 -4.549 572 1HG2 THR 17 1HG2 THR 17 19.301 39.097 -3.567 573 2HG2 THR 17 2HG2 THR 17 19.012 38.693 -1.875 574 3HG2 THR 17 3HG2 THR 17 18.728 40.336 -2.452 575 H THR 18 H THR 18 14.772 38.853 -2.461 576 HA THR 18 HA THR 18 12.544 38.583 -2.846 577 HB THR 18 HB THR 18 13.432 39.100 -5.101 578 HG1 THR 18 HG1 THR 18 11.503 38.839 -5.926 579 1HG2 THR 18 1HG2 THR 18 13.443 36.117 -5.421 580 2HG2 THR 18 2HG2 THR 18 14.768 37.249 -5.687 581 3HG2 THR 18 3HG2 THR 18 13.382 37.240 -6.779 582 H GLU 19 H GLU 19 10.903 36.857 -4.011 583 HA GLU 19 HA GLU 19 9.773 34.909 -3.694 584 1HB GLU 19 1HB GLU 19 12.549 33.739 -3.446 585 2HB GLU 19 2HB GLU 19 11.071 32.820 -3.700 586 1HG GLU 19 1HG GLU 19 10.879 33.465 -5.886 587 2HG GLU 19 2HG GLU 19 11.771 34.965 -5.637 588 H ALA 20 H ALA 20 9.274 33.174 -2.093 589 HA ALA 20 HA ALA 20 10.497 33.357 0.503 590 1HB ALA 20 1HB ALA 20 8.500 34.112 1.699 591 2HB ALA 20 2HB ALA 20 7.677 34.367 0.160 592 3HB ALA 20 3HB ALA 20 9.092 35.338 0.576 593 H VAL 21 H VAL 21 9.739 31.332 -1.575 594 HA VAL 21 HA VAL 21 7.690 29.727 -0.336 595 HB VAL 21 HB VAL 21 7.958 29.659 -2.762 596 1HG1 VAL 21 1HG1 VAL 21 10.048 28.081 -3.399 597 2HG1 VAL 21 2HG1 VAL 21 10.740 29.006 -2.067 598 3HG1 VAL 21 3HG1 VAL 21 10.081 29.842 -3.472 599 1HG2 VAL 21 1HG2 VAL 21 8.283 27.075 -2.931 600 2HG2 VAL 21 2HG2 VAL 21 6.905 27.741 -2.058 601 3HG2 VAL 21 3HG2 VAL 21 8.314 27.161 -1.171 602 H ASP 22 H ASP 22 8.976 29.934 1.725 603 HA ASP 22 HA ASP 22 11.045 27.857 1.965 604 1HB ASP 22 1HB ASP 22 10.456 30.368 3.440 605 2HB ASP 22 2HB ASP 22 11.091 29.023 4.382 606 H ALA 23 H ALA 23 10.922 26.266 3.494 607 HA ALA 23 HA ALA 23 8.508 25.005 3.890 608 1HB ALA 23 1HB ALA 23 10.357 24.399 6.017 609 2HB ALA 23 2HB ALA 23 11.188 24.537 4.466 610 3HB ALA 23 3HB ALA 23 9.847 23.404 4.652 611 H ALA 24 H ALA 24 10.233 27.198 6.077 612 HA ALA 24 HA ALA 24 8.406 26.981 8.236 613 1HB ALA 24 1HB ALA 24 10.854 27.958 8.093 614 2HB ALA 24 2HB ALA 24 9.706 28.530 9.305 615 3HB ALA 24 3HB ALA 24 9.984 29.471 7.840 616 H THR 25 H THR 25 8.570 29.015 5.389 617 HA THR 25 HA THR 25 6.690 30.969 6.143 618 HB THR 25 HB THR 25 7.602 29.924 3.462 619 HG1 THR 25 HG1 THR 25 8.090 32.296 4.930 620 1HG2 THR 25 1HG2 THR 25 6.553 32.442 3.012 621 2HG2 THR 25 2HG2 THR 25 5.313 31.612 3.952 622 3HG2 THR 25 3HG2 THR 25 5.899 30.904 2.445 623 H PHE 26 H PHE 26 6.363 27.811 4.635 624 HA PHE 26 HA PHE 26 3.609 27.975 4.026 625 1HB PHE 26 1HB PHE 26 5.153 26.268 3.082 626 2HB PHE 26 2HB PHE 26 5.218 25.493 4.664 627 HD1 PHE 26 HD1 PHE 26 2.902 26.444 1.928 628 HD2 PHE 26 HD2 PHE 26 3.603 23.934 5.293 629 HE1 PHE 26 HE1 PHE 26 0.902 25.130 1.360 630 HE2 PHE 26 HE2 PHE 26 1.605 22.614 4.730 631 HZ PHE 26 HZ PHE 26 0.251 23.211 2.761 632 H GLU 27 H GLU 27 5.313 26.518 6.789 633 HA GLU 27 HA GLU 27 3.104 25.617 8.204 634 1HB GLU 27 1HB GLU 27 5.749 26.646 9.239 635 2HB GLU 27 2HB GLU 27 4.573 25.779 10.217 636 1HG GLU 27 1HG GLU 27 4.849 23.796 8.945 637 2HG GLU 27 2HG GLU 27 5.795 24.640 7.721 638 H LYS 28 H LYS 28 4.756 28.763 8.501 639 HA LYS 28 HA LYS 28 3.042 29.753 10.511 640 1HB LYS 28 1HB LYS 28 5.328 30.614 9.990 641 2HB LYS 28 2HB LYS 28 4.665 31.369 8.547 642 1HG LYS 28 1HG LYS 28 3.184 32.728 9.931 643 2HG LYS 28 2HG LYS 28 3.844 31.967 11.382 644 1HD LYS 28 1HD LYS 28 5.754 33.216 9.479 645 2HD LYS 28 2HD LYS 28 4.754 34.288 10.462 646 1HE LYS 28 1HE LYS 28 6.333 32.026 11.654 647 2HE LYS 28 2HE LYS 28 7.029 33.627 11.403 648 1HZ LYS 28 1HZ LYS 28 4.747 32.893 13.145 649 2HZ LYS 28 2HZ LYS 28 5.103 34.494 12.734 650 3HZ LYS 28 3HZ LYS 28 6.226 33.575 13.602 651 H VAL 29 H VAL 29 3.058 30.347 6.974 652 HA VAL 29 HA VAL 29 0.866 32.119 6.993 653 HB VAL 29 HB VAL 29 1.824 30.344 4.746 654 1HG1 VAL 29 1HG1 VAL 29 0.140 32.847 4.647 655 2HG1 VAL 29 2HG1 VAL 29 -0.455 31.202 4.396 656 3HG1 VAL 29 3HG1 VAL 29 0.699 31.907 3.264 657 1HG2 VAL 29 1HG2 VAL 29 3.378 32.116 5.916 658 2HG2 VAL 29 2HG2 VAL 29 2.449 33.248 4.935 659 3HG2 VAL 29 3HG2 VAL 29 3.352 31.946 4.161 660 H VAL 30 H VAL 30 1.057 28.621 6.492 661 HA VAL 30 HA VAL 30 -1.693 28.292 5.877 662 HB VAL 30 HB VAL 30 0.273 26.238 6.902 663 1HG1 VAL 30 1HG1 VAL 30 -2.057 25.527 7.192 664 2HG1 VAL 30 2HG1 VAL 30 -1.240 24.579 5.951 665 3HG1 VAL 30 3HG1 VAL 30 -2.366 25.854 5.486 666 1HG2 VAL 30 1HG2 VAL 30 0.981 25.897 4.769 667 2HG2 VAL 30 2HG2 VAL 30 0.557 27.603 4.632 668 3HG2 VAL 30 3HG2 VAL 30 -0.565 26.367 4.062 669 H LYS 31 H LYS 31 0.138 27.933 8.909 670 HA LYS 31 HA LYS 31 -2.062 27.017 10.431 671 1HB LYS 31 1HB LYS 31 0.333 26.810 11.107 672 2HB LYS 31 2HB LYS 31 0.356 28.540 11.416 673 1HG LYS 31 1HG LYS 31 -1.690 27.967 12.957 674 2HG LYS 31 2HG LYS 31 -0.968 26.356 12.938 675 1HD LYS 31 1HD LYS 31 1.095 27.201 13.815 676 2HD LYS 31 2HD LYS 31 0.543 28.868 13.642 677 1HE LYS 31 1HE LYS 31 -1.353 28.206 15.230 678 2HE LYS 31 2HE LYS 31 -0.386 26.776 15.584 679 1HZ LYS 31 1HZ LYS 31 0.717 29.512 15.818 680 2HZ LYS 31 2HZ LYS 31 1.326 28.077 16.474 681 3HZ LYS 31 3HZ LYS 31 -0.090 28.757 17.100 682 H GLN 32 H GLN 32 -0.698 30.243 9.889 683 HA GLN 32 HA GLN 32 -2.461 31.616 11.621 684 1HB GLN 32 1HB GLN 32 -0.317 32.545 10.791 685 2HB GLN 32 2HB GLN 32 -1.029 32.691 9.187 686 1HG GLN 32 1HG GLN 32 -1.372 34.802 9.921 687 2HG GLN 32 2HG GLN 32 -2.854 34.060 10.524 688 1HE2 GLN 32 1HE2 GLN 32 -3.045 35.618 12.142 689 2HE2 GLN 32 2HE2 GLN 32 -2.036 35.609 13.543 690 H PHE 33 H PHE 33 -2.618 30.855 8.147 691 HA PHE 33 HA PHE 33 -4.959 32.344 7.642 692 1HB PHE 33 1HB PHE 33 -3.707 32.011 5.764 693 2HB PHE 33 2HB PHE 33 -3.268 30.372 6.204 694 HD1 PHE 33 HD1 PHE 33 -6.499 32.150 5.429 695 HD2 PHE 33 HD2 PHE 33 -3.905 28.854 4.709 696 HE1 PHE 33 HE1 PHE 33 -8.090 31.255 3.767 697 HE2 PHE 33 HE2 PHE 33 -5.492 27.948 3.066 698 HZ PHE 33 HZ PHE 33 -7.590 29.142 2.592 699 H PHE 34 H PHE 34 -4.466 28.859 8.214 700 HA PHE 34 HA PHE 34 -7.285 28.382 8.038 701 1HB PHE 34 1HB PHE 34 -4.922 26.644 8.607 702 2HB PHE 34 2HB PHE 34 -6.555 26.046 8.900 703 HD1 PHE 34 HD1 PHE 34 -4.043 25.992 6.566 704 HD2 PHE 34 HD2 PHE 34 -8.209 26.817 6.853 705 HE1 PHE 34 HE1 PHE 34 -4.300 25.537 4.158 706 HE2 PHE 34 HE2 PHE 34 -8.473 26.356 4.453 707 HZ PHE 34 HZ PHE 34 -6.521 25.720 3.100 708 H ASN 35 H ASN 35 -5.076 28.998 10.693 709 HA ASN 35 HA ASN 35 -6.616 28.001 12.804 710 1HB ASN 35 1HB ASN 35 -4.621 30.228 12.613 711 2HB ASN 35 2HB ASN 35 -5.550 30.034 14.095 712 1HD2 ASN 35 1HD2 ASN 35 -4.605 27.302 12.115 713 2HD2 ASN 35 2HD2 ASN 35 -3.452 26.663 13.227 714 H ASP 36 H ASP 36 -7.069 30.807 10.837 715 HA ASP 36 HA ASP 36 -8.802 32.306 12.448 716 1HB ASP 36 1HB ASP 36 -8.711 32.122 9.431 717 2HB ASP 36 2HB ASP 36 -9.515 33.388 10.355 718 H ASN 37 H ASN 37 -9.315 29.325 10.914 719 HA ASN 37 HA ASN 37 -12.239 29.672 11.021 720 1HB ASN 37 1HB ASN 37 -12.490 27.855 9.501 721 2HB ASN 37 2HB ASN 37 -11.233 28.902 8.854 722 1HD2 ASN 37 1HD2 ASN 37 -9.554 27.882 8.082 723 2HD2 ASN 37 2HD2 ASN 37 -8.961 26.345 8.598 724 H GLY 38 H GLY 38 -9.667 28.167 12.693 725 1HA GLY 38 1HA GLY 38 -10.469 27.402 14.943 726 2HA GLY 38 2HA GLY 38 -11.604 26.400 14.057 727 H VAL 39 H VAL 39 -8.480 26.664 12.647 728 HA VAL 39 HA VAL 39 -7.969 23.873 13.303 729 HB VAL 39 HB VAL 39 -6.311 25.664 11.528 730 1HG1 VAL 39 1HG1 VAL 39 -5.834 23.342 10.496 731 2HG1 VAL 39 2HG1 VAL 39 -6.428 22.715 12.034 732 3HG1 VAL 39 3HG1 VAL 39 -5.028 23.786 12.001 733 1HG2 VAL 39 1HG2 VAL 39 -7.586 24.365 9.695 734 2HG2 VAL 39 2HG2 VAL 39 -8.383 25.733 10.475 735 3HG2 VAL 39 3HG2 VAL 39 -8.791 24.088 10.953 736 H ASP 40 H ASP 40 -6.193 23.112 14.406 737 HA ASP 40 HA ASP 40 -4.154 24.927 15.356 738 1HB ASP 40 1HB ASP 40 -6.246 23.779 17.183 739 2HB ASP 40 2HB ASP 40 -4.634 24.152 17.782 740 H GLY 41 H GLY 41 -2.819 23.590 17.151 741 1HA GLY 41 1HA GLY 41 -2.163 21.277 17.718 742 2HA GLY 41 2HA GLY 41 -2.446 20.880 16.030 743 H GLU 42 H GLU 42 -0.398 20.170 15.554 744 HA GLU 42 HA GLU 42 1.584 22.260 15.195 745 1HB GLU 42 1HB GLU 42 2.145 19.790 16.844 746 2HB GLU 42 2HB GLU 42 3.379 20.899 16.258 747 1HG GLU 42 1HG GLU 42 1.959 22.693 17.500 748 2HG GLU 42 2HG GLU 42 1.321 21.302 18.375 749 H TRP 43 H TRP 43 3.343 21.615 13.786 750 HA TRP 43 HA TRP 43 2.425 19.916 11.676 751 1HB TRP 43 1HB TRP 43 4.979 21.458 12.112 752 2HB TRP 43 2HB TRP 43 4.714 20.447 10.693 753 HD1 TRP 43 HD1 TRP 43 3.921 23.836 12.107 754 HE1 TRP 43 HE1 TRP 43 2.504 25.168 10.422 755 HE3 TRP 43 HE3 TRP 43 2.810 20.075 8.826 756 HZ2 TRP 43 HZ2 TRP 43 1.100 24.689 8.021 757 HZ3 TRP 43 HZ3 TRP 43 1.423 20.596 6.861 758 HH2 TRP 43 HH2 TRP 43 0.586 22.856 6.468 759 H THR 44 H THR 44 2.556 17.815 11.661 760 HA THR 44 HA THR 44 4.755 16.518 13.116 761 HB THR 44 HB THR 44 3.333 14.553 13.285 762 HG1 THR 44 HG1 THR 44 2.026 14.450 11.610 763 1HG2 THR 44 1HG2 THR 44 1.717 16.973 14.042 764 2HG2 THR 44 2HG2 THR 44 3.025 16.285 15.006 765 3HG2 THR 44 3HG2 THR 44 1.564 15.345 14.703 766 H TYR 45 H TYR 45 6.007 15.038 12.128 767 HA TYR 45 HA TYR 45 6.244 15.181 9.287 768 1HB TYR 45 1HB TYR 45 7.688 13.675 11.441 769 2HB TYR 45 2HB TYR 45 7.970 13.280 9.748 770 HD1 TYR 45 HD1 TYR 45 8.559 15.687 12.408 771 HD2 TYR 45 HD2 TYR 45 8.962 14.961 8.235 772 HE1 TYR 45 HE1 TYR 45 10.167 17.540 12.245 773 HE2 TYR 45 HE2 TYR 45 10.572 16.811 8.062 774 HH TYR 45 HH TYR 45 12.223 17.983 9.781 775 H ASP 46 H ASP 46 5.794 13.653 7.736 776 HA ASP 46 HA ASP 46 3.623 11.887 8.279 777 1HB ASP 46 1HB ASP 46 5.359 12.250 5.827 778 2HB ASP 46 2HB ASP 46 3.956 11.187 5.886 779 H ASP 47 H ASP 47 3.623 9.571 7.792 780 HA ASP 47 HA ASP 47 5.683 8.196 9.158 781 1HB ASP 47 1HB ASP 47 3.239 7.413 7.641 782 2HB ASP 47 2HB ASP 47 4.454 6.170 7.931 783 H ALA 48 H ALA 48 7.486 7.188 8.451 784 HA ALA 48 HA ALA 48 8.691 7.862 6.057 785 1HB ALA 48 1HB ALA 48 9.238 5.443 7.768 786 2HB ALA 48 2HB ALA 48 9.924 7.051 7.992 787 3HB ALA 48 3HB ALA 48 10.323 6.113 6.551 788 H THR 49 H THR 49 8.886 6.968 4.071 789 HA THR 49 HA THR 49 7.375 4.510 3.500 790 HB THR 49 HB THR 49 7.453 6.904 1.663 791 HG1 THR 49 HG1 THR 49 5.984 7.723 2.888 792 1HG2 THR 49 1HG2 THR 49 5.198 5.559 1.059 793 2HG2 THR 49 2HG2 THR 49 6.268 4.228 1.500 794 3HG2 THR 49 3HG2 THR 49 6.736 5.351 0.223 795 H LYS 50 H LYS 50 8.089 3.353 1.590 796 HA LYS 50 HA LYS 50 10.851 4.010 0.801 797 1HB LYS 50 1HB LYS 50 9.674 1.367 1.616 798 2HB LYS 50 2HB LYS 50 11.093 1.445 0.582 799 1HG LYS 50 1HG LYS 50 12.417 2.366 2.249 800 2HG LYS 50 2HG LYS 50 11.026 2.919 3.182 801 1HD LYS 50 1HD LYS 50 10.482 0.383 3.375 802 2HD LYS 50 2HD LYS 50 12.181 0.169 2.949 803 1HE LYS 50 1HE LYS 50 12.924 1.251 4.878 804 2HE LYS 50 2HE LYS 50 11.366 2.026 5.156 805 1HZ LYS 50 1HZ LYS 50 12.115 -0.797 5.621 806 2HZ LYS 50 2HZ LYS 50 10.497 -0.313 5.516 807 3HZ LYS 50 3HZ LYS 50 11.492 0.323 6.727 808 H THR 51 H THR 51 11.024 4.382 -1.290 809 HA THR 51 HA THR 51 9.074 3.156 -3.122 810 HB THR 51 HB THR 51 10.615 5.752 -3.290 811 HG1 THR 51 HG1 THR 51 8.528 6.616 -3.336 812 1HG2 THR 51 1HG2 THR 51 9.721 6.199 -5.424 813 2HG2 THR 51 2HG2 THR 51 8.722 4.746 -5.394 814 3HG2 THR 51 3HG2 THR 51 10.476 4.610 -5.531 815 H PHE 52 H PHE 52 9.772 1.813 -4.681 816 HA PHE 52 HA PHE 52 12.554 1.059 -4.718 817 1HB PHE 52 1HB PHE 52 10.701 -0.605 -4.857 818 2HB PHE 52 2HB PHE 52 10.292 0.037 -6.444 819 HD1 PHE 52 HD1 PHE 52 12.757 -1.874 -4.517 820 HD2 PHE 52 HD2 PHE 52 11.632 -0.456 -8.369 821 HE1 PHE 52 HE1 PHE 52 14.377 -3.409 -5.551 822 HE2 PHE 52 HE2 PHE 52 13.251 -1.990 -9.410 823 HZ PHE 52 HZ PHE 52 14.626 -3.469 -8.000 824 H THR 53 H THR 53 14.013 2.104 -5.902 825 HA THR 53 HA THR 53 13.176 3.620 -8.244 826 HB THR 53 HB THR 53 15.883 3.391 -6.908 827 HG1 THR 53 HG1 THR 53 14.161 4.457 -5.717 828 1HG2 THR 53 1HG2 THR 53 16.362 5.519 -8.124 829 2HG2 THR 53 2HG2 THR 53 14.927 5.207 -9.101 830 3HG2 THR 53 3HG2 THR 53 16.283 4.079 -9.140 831 H VAL 54 H VAL 54 13.295 2.828 -10.246 832 HA VAL 54 HA VAL 54 14.349 0.229 -10.748 833 HB VAL 54 HB VAL 54 13.681 2.208 -12.910 834 1HG1 VAL 54 1HG1 VAL 54 14.393 0.349 -13.999 835 2HG1 VAL 54 2HG1 VAL 54 12.711 -0.122 -13.756 836 3HG1 VAL 54 3HG1 VAL 54 13.963 -0.730 -12.672 837 1HG2 VAL 54 1HG2 VAL 54 11.837 0.834 -11.012 838 2HG2 VAL 54 2HG2 VAL 54 11.344 1.033 -12.691 839 3HG2 VAL 54 3HG2 VAL 54 11.734 2.449 -11.713 840 H THR 55 H THR 55 16.019 -0.328 -12.252 841 HA THR 55 HA THR 55 17.954 1.730 -12.933 842 HB THR 55 HB THR 55 18.703 -0.678 -11.271 843 HG1 THR 55 HG1 THR 55 18.593 2.084 -10.650 844 1HG2 THR 55 1HG2 THR 55 20.711 -0.401 -12.198 845 2HG2 THR 55 2HG2 THR 55 20.819 1.020 -11.161 846 3HG2 THR 55 3HG2 THR 55 20.306 1.190 -12.840 847 H GLU 56 H GLU 56 17.971 -1.811 -12.734 848 HA GLU 56 HA GLU 56 18.320 -3.433 -14.292 849 1HB GLU 56 1HB GLU 56 17.311 -1.418 -16.304 850 2HB GLU 56 2HB GLU 56 17.302 -3.170 -16.454 851 1HG GLU 56 1HG GLU 56 15.671 -3.352 -14.681 852 2HG GLU 56 2HG GLU 56 15.727 -1.608 -14.420 853 1H MET 1 1H MET 1 5.633 -1.174 8.157 854 2H MET 1 2H MET 1 4.355 -0.052 8.385 855 3H MET 1 3H MET 1 5.802 0.093 9.298 856 HA MET 1 HA MET 1 5.990 1.695 7.704 857 1HB MET 1 1HB MET 1 7.488 -0.820 7.336 858 2HB MET 1 2HB MET 1 7.578 0.298 5.982 859 1HG MET 1 1HG MET 1 8.259 0.967 8.835 860 2HG MET 1 2HG MET 1 9.423 0.587 7.567 861 1HE MET 1 1HE MET 1 7.453 2.525 5.144 862 2HE MET 1 2HE MET 1 9.013 1.704 5.211 863 3HE MET 1 3HE MET 1 8.946 3.460 5.055 864 H GLN 2 H GLN 2 5.521 2.563 5.728 865 HA GLN 2 HA GLN 2 3.545 1.083 4.145 866 1HB GLN 2 1HB GLN 2 2.993 3.262 3.129 867 2HB GLN 2 2HB GLN 2 2.833 3.282 4.880 868 1HG GLN 2 1HG GLN 2 5.069 4.354 5.012 869 2HG GLN 2 2HG GLN 2 5.076 4.448 3.251 870 1HE2 GLN 2 1HE2 GLN 2 3.530 5.578 6.174 871 2HE2 GLN 2 2HE2 GLN 2 2.792 6.975 5.478 872 H TYR 3 H TYR 3 3.996 0.271 2.201 873 HA TYR 3 HA TYR 3 6.571 1.003 0.991 874 1HB TYR 3 1HB TYR 3 4.987 -1.537 1.016 875 2HB TYR 3 2HB TYR 3 6.138 -1.233 -0.284 876 HD1 TYR 3 HD1 TYR 3 5.723 -2.406 3.060 877 HD2 TYR 3 HD2 TYR 3 8.550 -0.680 0.390 878 HE1 TYR 3 HE1 TYR 3 7.556 -3.195 4.498 879 HE2 TYR 3 HE2 TYR 3 10.389 -1.465 1.819 880 HH TYR 3 HH TYR 3 10.729 -2.098 4.199 881 H LYS 4 H LYS 4 6.697 1.882 -0.917 882 HA LYS 4 HA LYS 4 4.233 2.223 -2.494 883 1HB LYS 4 1HB LYS 4 5.466 4.261 -1.615 884 2HB LYS 4 2HB LYS 4 6.761 3.852 -2.732 885 1HG LYS 4 1HG LYS 4 5.472 4.326 -4.604 886 2HG LYS 4 2HG LYS 4 3.954 4.202 -3.707 887 1HD LYS 4 1HD LYS 4 4.469 6.250 -2.507 888 2HD LYS 4 2HD LYS 4 6.030 6.360 -3.324 889 1HE LYS 4 1HE LYS 4 4.927 6.638 -5.461 890 2HE LYS 4 2HE LYS 4 3.351 6.415 -4.707 891 1HZ LYS 4 1HZ LYS 4 3.887 8.423 -3.337 892 2HZ LYS 4 2HZ LYS 4 3.663 8.723 -4.985 893 3HZ LYS 4 3HZ LYS 4 5.226 8.680 -4.340 894 H VAL 5 H VAL 5 4.061 1.182 -4.356 895 HA VAL 5 HA VAL 5 6.470 0.584 -5.916 896 HB VAL 5 HB VAL 5 4.400 -1.541 -5.357 897 1HG1 VAL 5 1HG1 VAL 5 5.675 -2.980 -6.639 898 2HG1 VAL 5 2HG1 VAL 5 7.136 -2.008 -6.465 899 3HG1 VAL 5 3HG1 VAL 5 5.836 -1.465 -7.527 900 1HG2 VAL 5 1HG2 VAL 5 5.523 -1.245 -3.303 901 2HG2 VAL 5 2HG2 VAL 5 7.084 -1.037 -4.097 902 3HG2 VAL 5 3HG2 VAL 5 6.309 -2.620 -4.077 903 H ILE 6 H ILE 6 6.195 1.107 -7.989 904 HA ILE 6 HA ILE 6 3.487 1.627 -8.955 905 HB ILE 6 HB ILE 6 6.102 2.269 -10.317 906 1HG1 ILE 6 1HG1 ILE 6 4.396 4.116 -8.637 907 2HG1 ILE 6 2HG1 ILE 6 5.864 3.337 -8.056 908 1HG2 ILE 6 1HG2 ILE 6 4.284 2.276 -11.860 909 2HG2 ILE 6 2HG2 ILE 6 4.684 3.956 -11.492 910 3HG2 ILE 6 3HG2 ILE 6 3.274 3.203 -10.751 911 1HD1 ILE 6 1HD1 ILE 6 7.132 4.485 -9.831 912 2HD1 ILE 6 2HD1 ILE 6 6.344 5.596 -8.711 913 3HD1 ILE 6 3HD1 ILE 6 5.652 5.317 -10.311 914 H LEU 7 H LEU 7 2.476 0.104 -10.069 915 HA LEU 7 HA LEU 7 4.061 -1.877 -11.556 916 1HB LEU 7 1HB LEU 7 1.513 -1.972 -10.095 917 2HB LEU 7 2HB LEU 7 1.473 -2.784 -11.648 918 HG LEU 7 HG LEU 7 3.796 -3.762 -10.583 919 1HD1 LEU 7 1HD1 LEU 7 3.164 -2.568 -8.442 920 2HD1 LEU 7 2HD1 LEU 7 3.513 -4.291 -8.307 921 3HD1 LEU 7 3HD1 LEU 7 1.842 -3.725 -8.301 922 1HD2 LEU 7 1HD2 LEU 7 0.991 -4.852 -10.408 923 2HD2 LEU 7 2HD2 LEU 7 2.441 -5.797 -10.071 924 3HD2 LEU 7 3HD2 LEU 7 2.176 -5.132 -11.684 925 H ASN 8 H ASN 8 4.117 -1.794 -13.716 926 HA ASN 8 HA ASN 8 1.872 -0.788 -15.230 927 1HB ASN 8 1HB ASN 8 3.322 1.220 -14.527 928 2HB ASN 8 2HB ASN 8 4.520 0.588 -15.651 929 1HD2 ASN 8 1HD2 ASN 8 2.819 3.053 -15.606 930 2HD2 ASN 8 2HD2 ASN 8 2.055 3.082 -17.155 931 H GLY 9 H GLY 9 1.662 -2.443 -16.601 932 1HA GLY 9 1HA GLY 9 3.964 -3.890 -17.587 933 2HA GLY 9 2HA GLY 9 2.280 -4.223 -17.962 934 H LYS 10 H LYS 10 4.922 -1.967 -18.643 935 HA LYS 10 HA LYS 10 3.660 -0.825 -20.931 936 1HB LYS 10 1HB LYS 10 5.488 0.214 -19.484 937 2HB LYS 10 2HB LYS 10 6.618 -0.814 -20.353 938 1HG LYS 10 1HG LYS 10 6.261 0.296 -22.373 939 2HG LYS 10 2HG LYS 10 4.760 1.032 -21.807 940 1HD LYS 10 1HD LYS 10 6.098 2.839 -21.530 941 2HD LYS 10 2HD LYS 10 6.472 2.043 -20.000 942 1HE LYS 10 1HE LYS 10 8.344 0.866 -21.318 943 2HE LYS 10 2HE LYS 10 8.083 2.122 -22.529 944 1HZ LYS 10 1HZ LYS 10 8.273 3.601 -20.334 945 2HZ LYS 10 2HZ LYS 10 9.609 3.193 -21.290 946 3HZ LYS 10 3HZ LYS 10 9.276 2.313 -19.885 947 H THR 11 H THR 11 4.223 -1.076 -23.124 948 HA THR 11 HA THR 11 5.017 -3.793 -23.804 949 HB THR 11 HB THR 11 4.397 -2.931 -26.169 950 HG1 THR 11 HG1 THR 11 3.543 -1.013 -26.313 951 1HG2 THR 11 1HG2 THR 11 2.152 -3.466 -25.917 952 2HG2 THR 11 2HG2 THR 11 2.095 -2.859 -24.262 953 3HG2 THR 11 3HG2 THR 11 2.951 -4.359 -24.623 954 H LEU 12 H LEU 12 7.188 -4.015 -23.766 955 HA LEU 12 HA LEU 12 8.877 -1.937 -24.910 956 1HB LEU 12 1HB LEU 12 9.293 -4.291 -23.154 957 2HB LEU 12 2HB LEU 12 10.633 -3.828 -24.185 958 HG LEU 12 HG LEU 12 9.276 -1.845 -22.376 959 1HD1 LEU 12 1HD1 LEU 12 11.721 -3.462 -21.690 960 2HD1 LEU 12 2HD1 LEU 12 10.103 -3.811 -21.077 961 3HD1 LEU 12 3HD1 LEU 12 10.887 -2.285 -20.675 962 1HD2 LEU 12 1HD2 LEU 12 11.813 -1.955 -23.955 963 2HD2 LEU 12 2HD2 LEU 12 11.688 -0.914 -22.537 964 3HD2 LEU 12 3HD2 LEU 12 10.585 -0.690 -23.895 965 H LYS 13 H LYS 13 10.604 -2.521 -26.424 966 HA LYS 13 HA LYS 13 9.612 -4.434 -28.415 967 1HB LYS 13 1HB LYS 13 10.197 -1.874 -28.823 968 2HB LYS 13 2HB LYS 13 11.818 -2.525 -29.022 969 1HG LYS 13 1HG LYS 13 11.048 -2.557 -31.178 970 2HG LYS 13 2HG LYS 13 10.648 -4.191 -30.648 971 1HD LYS 13 1HD LYS 13 8.699 -3.462 -31.702 972 2HD LYS 13 2HD LYS 13 8.369 -3.192 -29.989 973 1HE LYS 13 1HE LYS 13 9.296 -0.821 -30.426 974 2HE LYS 13 2HE LYS 13 9.020 -1.196 -32.126 975 1HZ LYS 13 1HZ LYS 13 6.752 -1.299 -31.827 976 2HZ LYS 13 2HZ LYS 13 7.172 -0.046 -30.771 977 3HZ LYS 13 3HZ LYS 13 6.861 -1.594 -30.164 978 H GLY 14 H GLY 14 10.584 -6.337 -28.561 979 1HA GLY 14 1HA GLY 14 13.316 -6.760 -28.834 980 2HA GLY 14 2HA GLY 14 12.950 -6.973 -27.128 981 H GLU 15 H GLU 15 11.101 -8.492 -26.659 982 HA GLU 15 HA GLU 15 10.339 -10.430 -28.582 983 1HB GLU 15 1HB GLU 15 12.849 -10.912 -27.940 984 2HB GLU 15 2HB GLU 15 12.127 -11.629 -26.507 985 1HG GLU 15 1HG GLU 15 10.654 -12.926 -28.180 986 2HG GLU 15 2HG GLU 15 11.874 -12.464 -29.365 987 H THR 16 H THR 16 9.088 -8.790 -26.622 988 HA THR 16 HA THR 16 8.403 -10.259 -24.298 989 HB THR 16 HB THR 16 8.119 -7.869 -24.317 990 HG1 THR 16 HG1 THR 16 6.288 -7.897 -23.253 991 1HG2 THR 16 1HG2 THR 16 6.943 -8.282 -26.882 992 2HG2 THR 16 2HG2 THR 16 7.416 -6.775 -26.099 993 3HG2 THR 16 3HG2 THR 16 5.801 -7.435 -25.838 994 H THR 17 H THR 17 6.866 -11.751 -23.931 995 HA THR 17 HA THR 17 5.122 -12.479 -26.193 996 HB THR 17 HB THR 17 5.752 -14.407 -23.997 997 HG1 THR 17 HG1 THR 17 7.789 -14.184 -24.462 998 1HG2 THR 17 1HG2 THR 17 4.692 -14.526 -26.706 999 2HG2 THR 17 2HG2 THR 17 4.518 -15.656 -25.360 1000 3HG2 THR 17 3HG2 THR 17 5.953 -15.716 -26.381 1001 H THR 18 H THR 18 5.315 -12.261 -22.662 1002 HA THR 18 HA THR 18 2.425 -11.772 -22.605 1003 HB THR 18 HB THR 18 2.136 -13.214 -20.666 1004 HG1 THR 18 HG1 THR 18 4.015 -13.291 -19.621 1005 1HG2 THR 18 1HG2 THR 18 1.727 -14.409 -22.647 1006 2HG2 THR 18 2HG2 THR 18 2.750 -15.449 -21.653 1007 3HG2 THR 18 3HG2 THR 18 3.447 -14.558 -23.004 1008 H GLU 19 H GLU 19 1.851 -11.154 -20.176 1009 HA GLU 19 HA GLU 19 3.725 -9.007 -19.476 1010 1HB GLU 19 1HB GLU 19 1.743 -8.119 -18.168 1011 2HB GLU 19 2HB GLU 19 1.569 -8.129 -19.917 1012 1HG GLU 19 1HG GLU 19 0.606 -10.563 -18.629 1013 2HG GLU 19 2HG GLU 19 -0.246 -9.105 -18.127 1014 H ALA 20 H ALA 20 3.602 -8.418 -17.049 1015 HA ALA 20 HA ALA 20 3.335 -10.702 -15.286 1016 1HB ALA 20 1HB ALA 20 5.549 -11.143 -15.945 1017 2HB ALA 20 2HB ALA 20 5.687 -10.311 -14.397 1018 3HB ALA 20 3HB ALA 20 5.988 -9.435 -15.898 1019 H VAL 21 H VAL 21 4.562 -7.387 -15.569 1020 HA VAL 21 HA VAL 21 3.817 -6.812 -12.836 1021 HB VAL 21 HB VAL 21 5.892 -5.872 -13.723 1022 1HG1 VAL 21 1HG1 VAL 21 5.323 -3.729 -15.255 1023 2HG1 VAL 21 2HG1 VAL 21 4.103 -4.865 -15.829 1024 3HG1 VAL 21 3HG1 VAL 21 5.809 -5.299 -15.893 1025 1HG2 VAL 21 1HG2 VAL 21 5.291 -3.388 -13.198 1026 2HG2 VAL 21 2HG2 VAL 21 5.166 -4.618 -11.941 1027 3HG2 VAL 21 3HG2 VAL 21 3.718 -4.064 -12.778 1028 H ASP 22 H ASP 22 1.547 -7.419 -13.529 1029 HA ASP 22 HA ASP 22 0.088 -5.118 -14.639 1030 1HB ASP 22 1HB ASP 22 -0.419 -8.043 -14.565 1031 2HB ASP 22 2HB ASP 22 -1.824 -6.991 -14.422 1032 H ALA 23 H ALA 23 -1.632 -4.219 -13.578 1033 HA ALA 23 HA ALA 23 -1.424 -3.786 -10.868 1034 1HB ALA 23 1HB ALA 23 -4.153 -3.514 -11.763 1035 2HB ALA 23 2HB ALA 23 -3.015 -2.906 -12.967 1036 3HB ALA 23 3HB ALA 23 -2.984 -2.270 -11.320 1037 H ALA 24 H ALA 24 -3.492 -6.108 -12.574 1038 HA ALA 24 HA ALA 24 -4.833 -7.079 -10.272 1039 1HB ALA 24 1HB ALA 24 -5.347 -7.334 -12.849 1040 2HB ALA 24 2HB ALA 24 -5.894 -8.535 -11.679 1041 3HB ALA 24 3HB ALA 24 -4.446 -8.835 -12.640 1042 H THR 25 H THR 25 -1.836 -7.924 -11.873 1043 HA THR 25 HA THR 25 -1.370 -10.408 -10.636 1044 HB THR 25 HB THR 25 0.460 -8.334 -11.839 1045 HG1 THR 25 HG1 THR 25 -0.453 -10.883 -12.669 1046 1HG2 THR 25 1HG2 THR 25 1.855 -10.721 -11.857 1047 2HG2 THR 25 2HG2 THR 25 1.262 -10.570 -10.202 1048 3HG2 THR 25 3HG2 THR 25 2.233 -9.279 -10.912 1049 H PHE 26 H PHE 26 -0.653 -7.103 -9.677 1050 HA PHE 26 HA PHE 26 0.927 -7.709 -7.413 1051 1HB PHE 26 1HB PHE 26 0.813 -5.464 -8.480 1052 2HB PHE 26 2HB PHE 26 -0.823 -5.280 -7.853 1053 HD1 PHE 26 HD1 PHE 26 2.704 -5.768 -6.819 1054 HD2 PHE 26 HD2 PHE 26 -1.188 -4.464 -5.699 1055 HE1 PHE 26 HE1 PHE 26 3.617 -4.858 -4.723 1056 HE2 PHE 26 HE2 PHE 26 -0.283 -3.550 -3.601 1057 HZ PHE 26 HZ PHE 26 2.122 -3.746 -3.112 1058 H GLU 27 H GLU 27 -2.527 -6.914 -7.715 1059 HA GLU 27 HA GLU 27 -3.228 -7.101 -5.037 1060 1HB GLU 27 1HB GLU 27 -4.866 -7.766 -7.487 1061 2HB GLU 27 2HB GLU 27 -5.529 -7.571 -5.869 1062 1HG GLU 27 1HG GLU 27 -4.953 -5.270 -5.818 1063 2HG GLU 27 2HG GLU 27 -3.989 -5.416 -7.286 1064 H LYS 28 H LYS 28 -3.331 -9.670 -7.506 1065 HA LYS 28 HA LYS 28 -4.287 -11.662 -5.754 1066 1HB LYS 28 1HB LYS 28 -4.434 -11.726 -8.243 1067 2HB LYS 28 2HB LYS 28 -2.712 -12.066 -8.296 1068 1HG LYS 28 1HG LYS 28 -3.075 -14.134 -7.053 1069 2HG LYS 28 2HG LYS 28 -4.806 -13.790 -6.986 1070 1HD LYS 28 1HD LYS 28 -3.493 -13.805 -9.652 1071 2HD LYS 28 2HD LYS 28 -3.749 -15.358 -8.851 1072 1HE LYS 28 1HE LYS 28 -5.947 -13.334 -9.171 1073 2HE LYS 28 2HE LYS 28 -5.588 -14.535 -10.412 1074 1HZ LYS 28 1HZ LYS 28 -6.474 -15.027 -7.626 1075 2HZ LYS 28 2HZ LYS 28 -5.881 -16.248 -8.634 1076 3HZ LYS 28 3HZ LYS 28 -7.292 -15.416 -9.054 1077 H VAL 29 H VAL 29 -0.961 -10.995 -6.917 1078 HA VAL 29 HA VAL 29 0.239 -13.140 -5.538 1079 HB VAL 29 HB VAL 29 1.490 -10.530 -6.402 1080 1HG1 VAL 29 1HG1 VAL 29 2.796 -13.176 -5.770 1081 2HG1 VAL 29 2HG1 VAL 29 2.827 -11.749 -4.731 1082 3HG1 VAL 29 3HG1 VAL 29 3.608 -11.708 -6.315 1083 1HG2 VAL 29 1HG2 VAL 29 0.305 -12.160 -8.092 1084 2HG2 VAL 29 2HG2 VAL 29 1.794 -13.084 -7.901 1085 3HG2 VAL 29 3HG2 VAL 29 1.857 -11.419 -8.480 1086 H VAL 30 H VAL 30 -0.224 -9.742 -4.660 1087 HA VAL 30 HA VAL 30 1.240 -9.894 -2.235 1088 HB VAL 30 HB VAL 30 -0.886 -7.901 -3.036 1089 1HG1 VAL 30 1HG1 VAL 30 -0.484 -7.907 -0.619 1090 2HG1 VAL 30 2HG1 VAL 30 0.123 -6.432 -1.371 1091 3HG1 VAL 30 3HG1 VAL 30 1.244 -7.709 -0.906 1092 1HG2 VAL 30 1HG2 VAL 30 0.703 -6.692 -4.128 1093 2HG2 VAL 30 2HG2 VAL 30 1.378 -8.302 -4.374 1094 3HG2 VAL 30 3HG2 VAL 30 2.010 -7.267 -3.092 1095 H LYS 31 H LYS 31 -2.238 -10.161 -2.945 1096 HA LYS 31 HA LYS 31 -3.038 -10.371 -0.241 1097 1HB LYS 31 1HB LYS 31 -4.564 -9.832 -2.139 1098 2HB LYS 31 2HB LYS 31 -4.427 -11.501 -2.677 1099 1HG LYS 31 1HG LYS 31 -5.218 -12.020 -0.229 1100 2HG LYS 31 2HG LYS 31 -5.851 -10.375 -0.322 1101 1HD LYS 31 1HD LYS 31 -7.173 -10.930 -2.246 1102 2HD LYS 31 2HD LYS 31 -6.422 -12.522 -2.361 1103 1HE LYS 31 1HE LYS 31 -7.340 -12.907 0.002 1104 2HE LYS 31 2HE LYS 31 -8.353 -11.499 -0.305 1105 1HZ LYS 31 1HZ LYS 31 -8.279 -13.807 -2.154 1106 2HZ LYS 31 2HZ LYS 31 -9.445 -12.587 -2.047 1107 3HZ LYS 31 3HZ LYS 31 -9.332 -13.756 -0.830 1108 H GLN 32 H GLN 32 -2.266 -12.791 -2.710 1109 HA GLN 32 HA GLN 32 -2.858 -15.053 -1.122 1110 1HB GLN 32 1HB GLN 32 -2.656 -15.100 -3.593 1111 2HB GLN 32 2HB GLN 32 -0.923 -14.854 -3.434 1112 1HG GLN 32 1HG GLN 32 -0.944 -17.106 -3.642 1113 2HG GLN 32 2HG GLN 32 -1.132 -16.993 -1.893 1114 1HE2 GLN 32 1HE2 GLN 32 -2.137 -19.009 -1.814 1115 2HE2 GLN 32 2HE2 GLN 32 -3.767 -19.238 -2.343 1116 H PHE 33 H PHE 33 0.144 -13.217 -1.657 1117 HA PHE 33 HA PHE 33 1.803 -14.961 -0.188 1118 1HB PHE 33 1HB PHE 33 2.961 -13.718 -1.712 1119 2HB PHE 33 2HB PHE 33 2.009 -12.274 -1.433 1120 HD1 PHE 33 HD1 PHE 33 4.305 -14.399 0.668 1121 HD2 PHE 33 HD2 PHE 33 3.215 -10.537 -0.750 1122 HE1 PHE 33 HE1 PHE 33 6.160 -13.400 1.953 1123 HE2 PHE 33 HE2 PHE 33 5.050 -9.533 0.541 1124 HZ PHE 33 HZ PHE 33 6.524 -10.959 1.898 1125 H PHE 34 H PHE 34 0.268 -11.868 0.701 1126 HA PHE 34 HA PHE 34 1.325 -12.051 3.358 1127 1HB PHE 34 1HB PHE 34 -0.463 -10.099 1.972 1128 2HB PHE 34 2HB PHE 34 -0.279 -10.047 3.725 1129 HD1 PHE 34 HD1 PHE 34 0.895 -8.597 0.848 1130 HD2 PHE 34 HD2 PHE 34 2.350 -10.447 4.396 1131 HE1 PHE 34 HE1 PHE 34 3.044 -7.423 0.579 1132 HE2 PHE 34 HE2 PHE 34 4.494 -9.271 4.138 1133 HZ PHE 34 HZ PHE 34 4.846 -7.761 2.227 1134 H ASN 35 H ASN 35 -1.717 -12.980 1.871 1135 HA ASN 35 HA ASN 35 -3.304 -13.165 4.164 1136 1HB ASN 35 1HB ASN 35 -3.308 -14.647 1.561 1137 2HB ASN 35 2HB ASN 35 -4.356 -15.197 2.864 1138 1HD2 ASN 35 1HD2 ASN 35 -3.577 -11.812 2.403 1139 2HD2 ASN 35 2HD2 ASN 35 -5.149 -11.335 1.876 1140 H ASP 36 H ASP 36 -0.688 -15.153 3.095 1141 HA ASP 36 HA ASP 36 -1.153 -17.481 4.583 1142 1HB ASP 36 1HB ASP 36 1.490 -16.263 3.755 1143 2HB ASP 36 2HB ASP 36 1.253 -17.922 4.298 1144 H ASN 37 H ASN 37 -0.306 -14.369 5.642 1145 HA ASN 37 HA ASN 37 0.730 -15.422 8.190 1146 1HB ASN 37 1HB ASN 37 1.747 -13.311 8.621 1147 2HB ASN 37 2HB ASN 37 2.136 -13.745 6.962 1148 1HD2 ASN 37 1HD2 ASN 37 1.984 -12.154 5.583 1149 2HD2 ASN 37 2HD2 ASN 37 0.931 -10.789 5.703 1150 H GLY 38 H GLY 38 -2.069 -14.008 6.826 1151 1HA GLY 38 1HA GLY 38 -3.990 -14.268 8.412 1152 2HA GLY 38 2HA GLY 38 -3.027 -13.329 9.537 1153 H VAL 39 H VAL 39 -2.810 -12.337 6.253 1154 HA VAL 39 HA VAL 39 -4.260 -9.900 6.913 1155 HB VAL 39 HB VAL 39 -2.825 -10.532 4.333 1156 1HG1 VAL 39 1HG1 VAL 39 -2.628 -7.957 4.404 1157 2HG1 VAL 39 2HG1 VAL 39 -3.947 -8.045 5.570 1158 3HG1 VAL 39 3HG1 VAL 39 -4.170 -8.677 3.939 1159 1HG2 VAL 39 1HG2 VAL 39 -1.033 -9.025 5.435 1160 2HG2 VAL 39 2HG2 VAL 39 -1.110 -10.730 5.885 1161 3HG2 VAL 39 3HG2 VAL 39 -1.797 -9.505 6.951 1162 H ASP 40 H ASP 40 -6.077 -9.155 5.869 1163 HA ASP 40 HA ASP 40 -7.232 -10.632 3.671 1164 1HB ASP 40 1HB ASP 40 -8.401 -10.722 6.439 1165 2HB ASP 40 2HB ASP 40 -9.432 -10.874 5.020 1166 H GLY 41 H GLY 41 -9.641 -9.710 3.385 1167 1HA GLY 41 1HA GLY 41 -10.955 -7.647 3.744 1168 2HA GLY 41 2HA GLY 41 -9.430 -6.776 3.677 1169 H GLU 42 H GLU 42 -9.906 -5.481 1.941 1170 HA GLU 42 HA GLU 42 -9.795 -6.785 -0.649 1171 1HB GLU 42 1HB GLU 42 -12.081 -4.970 0.132 1172 2HB GLU 42 2HB GLU 42 -11.726 -5.465 -1.516 1173 1HG GLU 42 1HG GLU 42 -11.896 -7.871 -0.534 1174 2HG GLU 42 2HG GLU 42 -12.796 -7.070 0.755 1175 H TRP 43 H TRP 43 -9.314 -5.295 -2.396 1176 HA TRP 43 HA TRP 43 -7.493 -3.255 -1.559 1177 1HB TRP 43 1HB TRP 43 -8.428 -4.193 -4.266 1178 2HB TRP 43 2HB TRP 43 -7.302 -2.855 -4.068 1179 HD1 TRP 43 HD1 TRP 43 -7.465 -6.607 -4.117 1180 HE1 TRP 43 HE1 TRP 43 -5.114 -7.583 -3.741 1181 HE3 TRP 43 HE3 TRP 43 -5.025 -2.334 -2.727 1182 HZ2 TRP 43 HZ2 TRP 43 -2.562 -6.664 -2.959 1183 HZ3 TRP 43 HZ3 TRP 43 -2.629 -2.469 -2.180 1184 HH2 TRP 43 HH2 TRP 43 -1.425 -4.590 -2.295 1185 H THR 44 H THR 44 -8.033 -1.307 -0.971 1186 HA THR 44 HA THR 44 -10.450 -0.095 -2.123 1187 HB THR 44 HB THR 44 -10.564 1.293 -0.128 1188 HG1 THR 44 HG1 THR 44 -8.601 1.635 0.624 1189 1HG2 THR 44 1HG2 THR 44 -10.086 -1.555 0.711 1190 2HG2 THR 44 2HG2 THR 44 -11.589 -0.938 0.021 1191 3HG2 THR 44 3HG2 THR 44 -11.019 -0.335 1.577 1192 H TYR 45 H TYR 45 -10.368 1.888 -3.015 1193 HA TYR 45 HA TYR 45 -7.857 2.780 -4.042 1194 1HB TYR 45 1HB TYR 45 -10.682 3.763 -4.260 1195 2HB TYR 45 2HB TYR 45 -9.355 4.763 -4.836 1196 HD1 TYR 45 HD1 TYR 45 -11.384 1.816 -5.466 1197 HD2 TYR 45 HD2 TYR 45 -7.935 3.978 -6.703 1198 HE1 TYR 45 HE1 TYR 45 -11.368 0.568 -7.586 1199 HE2 TYR 45 HE2 TYR 45 -7.910 2.739 -8.826 1200 HH TYR 45 HH TYR 45 -9.754 1.491 -10.251 1201 H ASP 46 H ASP 46 -6.668 4.587 -3.535 1202 HA ASP 46 HA ASP 46 -6.808 5.492 -0.834 1203 1HB ASP 46 1HB ASP 46 -5.134 6.413 -3.180 1204 2HB ASP 46 2HB ASP 46 -4.939 7.018 -1.539 1205 H ASP 47 H ASP 47 -6.926 7.764 -0.185 1206 HA ASP 47 HA ASP 47 -9.228 9.046 -1.215 1207 1HB ASP 47 1HB ASP 47 -7.177 9.686 0.852 1208 2HB ASP 47 2HB ASP 47 -8.174 11.009 0.253 1209 H ALA 48 H ALA 48 -9.475 10.644 -2.681 1210 HA ALA 48 HA ALA 48 -7.580 11.124 -4.638 1211 1HB ALA 48 1HB ALA 48 -9.910 12.870 -3.858 1212 2HB ALA 48 2HB ALA 48 -9.957 11.503 -4.970 1213 3HB ALA 48 3HB ALA 48 -9.032 12.946 -5.385 1214 H THR 49 H THR 49 -6.083 12.663 -5.047 1215 HA THR 49 HA THR 49 -5.621 14.728 -3.005 1216 HB THR 49 HB THR 49 -3.410 13.196 -4.379 1217 HG1 THR 49 HG1 THR 49 -3.810 11.673 -3.015 1218 1HG2 THR 49 1HG2 THR 49 -2.393 14.075 -2.041 1219 2HG2 THR 49 2HG2 THR 49 -3.494 15.393 -2.439 1220 3HG2 THR 49 3HG2 THR 49 -2.233 14.921 -3.579 1221 H LYS 50 H LYS 50 -4.437 16.599 -3.771 1222 HA LYS 50 HA LYS 50 -4.560 16.932 -6.695 1223 1HB LYS 50 1HB LYS 50 -5.517 18.771 -4.519 1224 2HB LYS 50 2HB LYS 50 -5.075 19.398 -6.103 1225 1HG LYS 50 1HG LYS 50 -6.826 18.310 -7.164 1226 2HG LYS 50 2HG LYS 50 -7.032 17.152 -5.848 1227 1HD LYS 50 1HD LYS 50 -7.631 19.260 -4.445 1228 2HD LYS 50 2HD LYS 50 -7.914 20.006 -6.019 1229 1HE LYS 50 1HE LYS 50 -9.648 18.530 -6.539 1230 2HE LYS 50 2HE LYS 50 -9.149 17.369 -5.311 1231 1HZ LYS 50 1HZ LYS 50 -10.532 19.956 -4.929 1232 2HZ LYS 50 2HZ LYS 50 -9.742 19.174 -3.654 1233 3HZ LYS 50 3HZ LYS 50 -11.032 18.414 -4.441 1234 H THR 51 H THR 51 -2.650 17.339 -7.538 1235 HA THR 51 HA THR 51 -0.590 18.609 -5.862 1236 HB THR 51 HB THR 51 -0.376 16.674 -8.176 1237 HG1 THR 51 HG1 THR 51 0.638 15.409 -6.594 1238 1HG2 THR 51 1HG2 THR 51 1.979 16.772 -8.094 1239 2HG2 THR 51 2HG2 THR 51 1.962 17.849 -6.698 1240 3HG2 THR 51 3HG2 THR 51 1.421 18.435 -8.274 1241 H PHE 52 H PHE 52 0.233 20.531 -6.458 1242 HA PHE 52 HA PHE 52 -0.924 21.891 -8.720 1243 1HB PHE 52 1HB PHE 52 -0.537 23.009 -6.525 1244 2HB PHE 52 2HB PHE 52 1.196 22.872 -6.800 1245 HD1 PHE 52 HD1 PHE 52 -1.895 24.535 -7.857 1246 HD2 PHE 52 HD2 PHE 52 2.324 24.300 -8.359 1247 HE1 PHE 52 HE1 PHE 52 -1.925 26.672 -9.079 1248 HE2 PHE 52 HE2 PHE 52 2.302 26.436 -9.579 1249 HZ PHE 52 HZ PHE 52 0.176 27.624 -9.941 1250 H THR 53 H THR 53 -0.131 21.701 -10.708 1251 HA THR 53 HA THR 53 2.647 20.918 -11.102 1252 HB THR 53 HB THR 53 0.414 21.325 -13.105 1253 HG1 THR 53 HG1 THR 53 0.220 19.539 -11.582 1254 1HG2 THR 53 1HG2 THR 53 1.847 19.911 -14.581 1255 2HG2 THR 53 2HG2 THR 53 3.169 20.177 -13.442 1256 3HG2 THR 53 3HG2 THR 53 2.451 21.542 -14.295 1257 H VAL 54 H VAL 54 4.217 22.348 -11.480 1258 HA VAL 54 HA VAL 54 3.661 25.135 -11.687 1259 HB VAL 54 HB VAL 54 6.331 23.908 -12.327 1260 1HG1 VAL 54 1HG1 VAL 54 6.603 26.142 -12.636 1261 2HG1 VAL 54 2HG1 VAL 54 6.878 26.083 -10.896 1262 3HG1 VAL 54 3HG1 VAL 54 5.302 26.568 -11.523 1263 1HG2 VAL 54 1HG2 VAL 54 4.949 24.088 -9.689 1264 2HG2 VAL 54 2HG2 VAL 54 6.692 24.333 -9.769 1265 3HG2 VAL 54 3HG2 VAL 54 5.989 22.816 -10.331 1266 H THR 55 H THR 55 4.283 26.554 -13.404 1267 HA THR 55 HA THR 55 4.703 25.378 -16.031 1268 HB THR 55 HB THR 55 2.352 27.184 -15.442 1269 HG1 THR 55 HG1 THR 55 2.498 24.435 -16.115 1270 1HG2 THR 55 1HG2 THR 55 2.544 27.733 -17.596 1271 2HG2 THR 55 2HG2 THR 55 1.895 26.119 -17.892 1272 3HG2 THR 55 3HG2 THR 55 3.636 26.392 -17.945 1273 H GLU 56 H GLU 56 3.659 28.536 -14.789 1274 HA GLU 56 HA GLU 56 4.544 30.623 -14.974 1275 1HB GLU 56 1HB GLU 56 7.208 29.232 -15.278 1276 2HB GLU 56 2HB GLU 56 6.922 30.875 -14.720 1277 1HG GLU 56 1HG GLU 56 5.862 30.048 -12.713 1278 2HG GLU 56 2HG GLU 56 6.027 28.387 -13.282 1279 1H MET 1 1H MET 1 0.580 1.095 -12.380 1280 2H MET 1 2H MET 1 1.430 2.576 -12.219 1281 3H MET 1 3H MET 1 -0.032 2.517 -13.116 1282 HA MET 1 HA MET 1 -0.631 3.454 -11.141 1283 1HB MET 1 1HB MET 1 -1.254 0.603 -11.579 1284 2HB MET 1 2HB MET 1 -1.623 1.202 -9.967 1285 1HG MET 1 1HG MET 1 -2.612 2.414 -12.539 1286 2HG MET 1 2HG MET 1 -3.538 1.343 -11.490 1287 1HE MET 1 1HE MET 1 -2.154 2.998 -8.532 1288 2HE MET 1 2HE MET 1 -3.411 1.814 -8.890 1289 3HE MET 1 3HE MET 1 -3.848 3.391 -8.236 1290 H GLN 2 H GLN 2 -0.365 3.819 -8.978 1291 HA GLN 2 HA GLN 2 2.045 2.642 -7.795 1292 1HB GLN 2 1HB GLN 2 1.936 4.498 -6.174 1293 2HB GLN 2 2HB GLN 2 1.998 5.065 -7.835 1294 1HG GLN 2 1HG GLN 2 -0.467 5.374 -7.755 1295 2HG GLN 2 2HG GLN 2 -0.415 4.959 -6.043 1296 1HE2 GLN 2 1HE2 GLN 2 0.574 7.290 -8.455 1297 2HE2 GLN 2 2HE2 GLN 2 0.866 8.593 -7.358 1298 H TYR 3 H TYR 3 1.960 1.205 -6.193 1299 HA TYR 3 HA TYR 3 -0.653 0.718 -4.944 1300 1HB TYR 3 1HB TYR 3 1.640 -1.080 -5.624 1301 2HB TYR 3 2HB TYR 3 0.516 -1.538 -4.347 1302 HD1 TYR 3 HD1 TYR 3 1.117 -1.513 -7.863 1303 HD2 TYR 3 HD2 TYR 3 -1.978 -1.594 -4.945 1304 HE1 TYR 3 HE1 TYR 3 -0.445 -2.387 -9.551 1305 HE2 TYR 3 HE2 TYR 3 -3.547 -2.469 -6.622 1306 HH TYR 3 HH TYR 3 -3.790 -2.474 -9.090 1307 H LYS 4 H LYS 4 -0.954 0.929 -2.870 1308 HA LYS 4 HA LYS 4 1.353 1.549 -1.151 1309 1HB LYS 4 1HB LYS 4 -0.492 3.266 -1.461 1310 2HB LYS 4 2HB LYS 4 -1.539 2.173 -0.567 1311 1HG LYS 4 1HG LYS 4 -0.366 2.464 1.416 1312 2HG LYS 4 2HG LYS 4 1.067 3.084 0.588 1313 1HD LYS 4 1HD LYS 4 -0.126 5.122 0.009 1314 2HD LYS 4 2HD LYS 4 -1.593 4.499 0.761 1315 1HE LYS 4 1HE LYS 4 -0.512 4.480 2.928 1316 2HE LYS 4 2HE LYS 4 1.010 4.993 2.202 1317 1HZ LYS 4 1HZ LYS 4 -0.188 7.038 1.463 1318 2HZ LYS 4 2HZ LYS 4 -0.008 6.896 3.140 1319 3HZ LYS 4 3HZ LYS 4 -1.500 6.557 2.418 1320 H VAL 5 H VAL 5 1.928 0.128 0.342 1321 HA VAL 5 HA VAL 5 -0.098 -1.613 1.550 1322 HB VAL 5 HB VAL 5 2.503 -2.732 0.499 1323 1HG1 VAL 5 1HG1 VAL 5 1.794 -4.806 1.243 1324 2HG1 VAL 5 2HG1 VAL 5 0.101 -4.317 1.315 1325 3HG1 VAL 5 3HG1 VAL 5 1.238 -3.738 2.531 1326 1HG2 VAL 5 1HG2 VAL 5 1.237 -2.219 -1.429 1327 2HG2 VAL 5 2HG2 VAL 5 -0.265 -2.763 -0.681 1328 3HG2 VAL 5 3HG2 VAL 5 0.975 -3.935 -1.126 1329 H ILE 6 H ILE 6 0.102 -1.653 3.696 1330 HA ILE 6 HA ILE 6 2.558 -0.615 4.890 1331 HB ILE 6 HB ILE 6 -0.056 -1.234 6.265 1332 1HG1 ILE 6 1HG1 ILE 6 0.909 1.449 5.260 1333 2HG1 ILE 6 2HG1 ILE 6 -0.274 0.455 4.418 1334 1HG2 ILE 6 1HG2 ILE 6 1.730 -1.101 7.831 1335 2HG2 ILE 6 2HG2 ILE 6 0.833 0.415 7.927 1336 3HG2 ILE 6 3HG2 ILE 6 2.372 0.353 7.067 1337 1HD1 ILE 6 1HD1 ILE 6 -1.749 0.599 6.380 1338 2HD1 ILE 6 2HD1 ILE 6 -1.388 2.174 5.677 1339 3HD1 ILE 6 3HD1 ILE 6 -0.574 1.659 7.157 1340 H LEU 7 H LEU 7 4.046 -1.996 5.568 1341 HA LEU 7 HA LEU 7 3.235 -4.712 6.351 1342 1HB LEU 7 1HB LEU 7 5.611 -3.580 5.043 1343 2HB LEU 7 2HB LEU 7 5.977 -4.750 6.296 1344 HG LEU 7 HG LEU 7 4.027 -6.051 4.882 1345 1HD1 LEU 7 1HD1 LEU 7 4.168 -4.154 3.209 1346 2HD1 LEU 7 2HD1 LEU 7 4.358 -5.787 2.570 1347 3HD1 LEU 7 3HD1 LEU 7 5.773 -4.763 2.806 1348 1HD2 LEU 7 1HD2 LEU 7 7.021 -6.120 4.534 1349 2HD2 LEU 7 2HD2 LEU 7 5.918 -7.335 3.884 1350 3HD2 LEU 7 3HD2 LEU 7 6.046 -7.101 5.629 1351 H ASN 8 H ASN 8 3.264 -5.274 8.441 1352 HA ASN 8 HA ASN 8 5.154 -4.103 10.283 1353 1HB ASN 8 1HB ASN 8 3.138 -2.512 10.107 1354 2HB ASN 8 2HB ASN 8 2.236 -3.768 10.950 1355 1HD2 ASN 8 1HD2 ASN 8 3.074 -1.005 11.699 1356 2HD2 ASN 8 2HD2 ASN 8 3.873 -1.183 13.221 1357 H GLY 9 H GLY 9 5.901 -5.884 11.233 1358 1HA GLY 9 1HA GLY 9 4.106 -8.134 11.732 1359 2HA GLY 9 2HA GLY 9 5.856 -8.147 11.888 1360 H LYS 10 H LYS 10 2.863 -7.729 13.500 1361 HA LYS 10 HA LYS 10 2.300 -7.493 15.691 1362 1HB LYS 10 1HB LYS 10 5.108 -8.512 15.873 1363 2HB LYS 10 2HB LYS 10 4.293 -7.978 17.334 1364 1HG LYS 10 1HG LYS 10 2.689 -9.657 17.206 1365 2HG LYS 10 2HG LYS 10 3.005 -9.957 15.495 1366 1HD LYS 10 1HD LYS 10 4.893 -11.198 15.924 1367 2HD LYS 10 2HD LYS 10 5.200 -10.396 17.465 1368 1HE LYS 10 1HE LYS 10 2.741 -12.053 17.169 1369 2HE LYS 10 2HE LYS 10 4.293 -12.867 17.366 1370 1HZ LYS 10 1HZ LYS 10 2.970 -12.342 19.452 1371 2HZ LYS 10 2HZ LYS 10 3.423 -10.730 19.213 1372 3HZ LYS 10 3HZ LYS 10 4.608 -11.912 19.454 1373 H THR 11 H THR 11 1.790 -5.435 16.116 1374 HA THR 11 HA THR 11 3.550 -3.251 15.901 1375 HB THR 11 HB THR 11 1.190 -2.878 15.725 1376 HG1 THR 11 HG1 THR 11 2.046 -1.744 18.176 1377 1HG2 THR 11 1HG2 THR 11 -0.278 -3.011 17.743 1378 2HG2 THR 11 2HG2 THR 11 0.996 -3.951 18.522 1379 3HG2 THR 11 3HG2 THR 11 0.213 -4.565 17.066 1380 H LEU 12 H LEU 12 5.100 -2.562 17.189 1381 HA LEU 12 HA LEU 12 6.444 -2.258 18.991 1382 1HB LEU 12 1HB LEU 12 3.971 -1.557 19.812 1383 2HB LEU 12 2HB LEU 12 4.315 -2.839 20.958 1384 HG LEU 12 HG LEU 12 6.454 -1.623 21.527 1385 1HD1 LEU 12 1HD1 LEU 12 6.546 -0.277 19.458 1386 2HD1 LEU 12 2HD1 LEU 12 6.655 0.700 20.922 1387 3HD1 LEU 12 3HD1 LEU 12 5.142 0.632 20.018 1388 1HD2 LEU 12 1HD2 LEU 12 4.958 -1.314 23.203 1389 2HD2 LEU 12 2HD2 LEU 12 3.699 -0.720 22.120 1390 3HD2 LEU 12 3HD2 LEU 12 5.015 0.347 22.610 1391 H LYS 13 H LYS 13 7.192 -4.458 18.152 1392 HA LYS 13 HA LYS 13 7.890 -6.067 20.341 1393 1HB LYS 13 1HB LYS 13 5.507 -6.780 20.127 1394 2HB LYS 13 2HB LYS 13 5.867 -7.364 18.508 1395 1HG LYS 13 1HG LYS 13 5.989 -9.277 19.804 1396 2HG LYS 13 2HG LYS 13 7.677 -8.789 19.653 1397 1HD LYS 13 1HD LYS 13 7.703 -7.884 21.845 1398 2HD LYS 13 2HD LYS 13 5.948 -7.995 21.986 1399 1HE LYS 13 1HE LYS 13 6.001 -10.332 22.187 1400 2HE LYS 13 2HE LYS 13 7.655 -10.430 21.579 1401 1HZ LYS 13 1HZ LYS 13 7.022 -9.040 24.109 1402 2HZ LYS 13 2HZ LYS 13 8.513 -9.637 23.580 1403 3HZ LYS 13 3HZ LYS 13 7.297 -10.708 24.065 1404 H GLY 14 H GLY 14 9.941 -6.016 19.541 1405 1HA GLY 14 1HA GLY 14 10.388 -7.023 16.815 1406 2HA GLY 14 2HA GLY 14 11.546 -6.113 17.773 1407 H GLU 15 H GLU 15 10.032 -9.248 17.316 1408 HA GLU 15 HA GLU 15 12.321 -10.467 18.709 1409 1HB GLU 15 1HB GLU 15 9.836 -10.535 19.737 1410 2HB GLU 15 2HB GLU 15 9.752 -11.948 18.691 1411 1HG GLU 15 1HG GLU 15 12.061 -12.491 19.869 1412 2HG GLU 15 2HG GLU 15 11.359 -11.483 21.135 1413 H THR 16 H THR 16 13.209 -12.285 17.785 1414 HA THR 16 HA THR 16 12.974 -12.590 15.004 1415 HB THR 16 HB THR 16 15.014 -13.182 16.194 1416 HG1 THR 16 HG1 THR 16 15.430 -15.064 15.105 1417 1HG2 THR 16 1HG2 THR 16 13.788 -14.162 18.203 1418 2HG2 THR 16 2HG2 THR 16 15.264 -14.965 17.666 1419 3HG2 THR 16 3HG2 THR 16 13.689 -15.646 17.255 1420 H THR 17 H THR 17 11.160 -13.272 14.051 1421 HA THR 17 HA THR 17 9.912 -15.736 15.077 1422 HB THR 17 HB THR 17 7.752 -14.859 14.176 1423 HG1 THR 17 HG1 THR 17 7.622 -12.880 13.371 1424 1HG2 THR 17 1HG2 THR 17 8.740 -12.804 16.090 1425 2HG2 THR 17 2HG2 THR 17 8.614 -14.489 16.599 1426 3HG2 THR 17 3HG2 THR 17 7.183 -13.630 16.025 1427 H THR 18 H THR 18 8.350 -16.598 13.215 1428 HA THR 18 HA THR 18 10.046 -16.820 10.821 1429 HB THR 18 HB THR 18 8.458 -18.929 10.533 1430 HG1 THR 18 HG1 THR 18 7.230 -19.130 12.216 1431 1HG2 THR 18 1HG2 THR 18 10.684 -19.464 10.662 1432 2HG2 THR 18 2HG2 THR 18 10.052 -20.203 12.134 1433 3HG2 THR 18 3HG2 THR 18 10.899 -18.659 12.216 1434 H GLU 19 H GLU 19 9.315 -15.344 9.394 1435 HA GLU 19 HA GLU 19 7.951 -14.268 7.926 1436 1HB GLU 19 1HB GLU 19 6.348 -16.813 8.228 1437 2HB GLU 19 2HB GLU 19 6.059 -15.597 6.995 1438 1HG GLU 19 1HG GLU 19 8.824 -16.443 7.037 1439 2HG GLU 19 2HG GLU 19 7.720 -17.798 6.801 1440 H ALA 20 H ALA 20 7.183 -12.492 8.942 1441 HA ALA 20 HA ALA 20 4.459 -12.608 9.934 1442 1HB ALA 20 1HB ALA 20 6.579 -11.413 11.703 1443 2HB ALA 20 2HB ALA 20 5.970 -13.057 11.895 1444 3HB ALA 20 3HB ALA 20 4.878 -11.685 12.077 1445 H VAL 21 H VAL 21 4.964 -11.491 7.665 1446 HA VAL 21 HA VAL 21 5.077 -9.595 6.366 1447 HB VAL 21 HB VAL 21 2.827 -9.437 7.220 1448 1HG1 VAL 21 1HG1 VAL 21 2.459 -7.858 9.224 1449 2HG1 VAL 21 2HG1 VAL 21 4.133 -8.225 9.618 1450 3HG1 VAL 21 3HG1 VAL 21 2.946 -9.525 9.522 1451 1HG2 VAL 21 1HG2 VAL 21 2.659 -6.832 7.354 1452 2HG2 VAL 21 2HG2 VAL 21 3.150 -7.623 5.856 1453 3HG2 VAL 21 3HG2 VAL 21 4.364 -6.900 6.912 1454 H ASP 22 H ASP 22 7.403 -9.513 6.852 1455 HA ASP 22 HA ASP 22 8.192 -7.257 8.567 1456 1HB ASP 22 1HB ASP 22 9.547 -9.743 7.665 1457 2HB ASP 22 2HB ASP 22 10.554 -8.312 7.890 1458 H ALA 23 H ALA 23 9.468 -5.619 7.866 1459 HA ALA 23 HA ALA 23 9.000 -4.523 5.383 1460 1HB ALA 23 1HB ALA 23 11.549 -3.674 6.431 1461 2HB ALA 23 2HB ALA 23 10.345 -3.823 7.714 1462 3HB ALA 23 3HB ALA 23 10.027 -2.788 6.321 1463 H ALA 24 H ALA 24 11.770 -6.463 6.452 1464 HA ALA 24 HA ALA 24 13.235 -6.271 4.033 1465 1HB ALA 24 1HB ALA 24 13.939 -7.065 6.441 1466 2HB ALA 24 2HB ALA 24 14.757 -7.681 5.005 1467 3HB ALA 24 3HB ALA 24 13.516 -8.652 5.799 1468 H THR 25 H THR 25 10.733 -8.431 5.187 1469 HA THR 25 HA THR 25 11.004 -10.473 3.269 1470 HB THR 25 HB THR 25 8.677 -9.509 4.932 1471 HG1 THR 25 HG1 THR 25 10.396 -11.755 5.042 1472 1HG2 THR 25 1HG2 THR 25 8.100 -12.112 4.203 1473 2HG2 THR 25 2HG2 THR 25 8.538 -11.321 2.689 1474 3HG2 THR 25 3HG2 THR 25 7.247 -10.655 3.691 1475 H PHE 26 H PHE 26 9.253 -7.425 3.268 1476 HA PHE 26 HA PHE 26 7.830 -7.817 0.858 1477 1HB PHE 26 1HB PHE 26 7.295 -6.052 2.529 1478 2HB PHE 26 2HB PHE 26 8.759 -5.198 2.054 1479 HD1 PHE 26 HD1 PHE 26 5.514 -6.443 0.766 1480 HD2 PHE 26 HD2 PHE 26 8.748 -3.727 0.244 1481 HE1 PHE 26 HE1 PHE 26 4.263 -5.303 -1.019 1482 HE2 PHE 26 HE2 PHE 26 7.502 -2.580 -1.542 1483 HZ PHE 26 HZ PHE 26 5.256 -3.368 -2.175 1484 H GLU 27 H GLU 27 10.875 -6.103 1.528 1485 HA GLU 27 HA GLU 27 11.470 -5.290 -1.055 1486 1HB GLU 27 1HB GLU 27 13.346 -6.082 1.176 1487 2HB GLU 27 2HB GLU 27 13.843 -5.244 -0.288 1488 1HG GLU 27 1HG GLU 27 12.583 -3.318 0.285 1489 2HG GLU 27 2HG GLU 27 11.780 -4.162 1.609 1490 H LYS 28 H LYS 28 12.486 -8.294 0.576 1491 HA LYS 28 HA LYS 28 13.926 -9.298 -1.631 1492 1HB LYS 28 1HB LYS 28 14.200 -10.019 0.746 1493 2HB LYS 28 2HB LYS 28 12.681 -10.894 0.606 1494 1HG LYS 28 1HG LYS 28 13.636 -12.280 -1.163 1495 2HG LYS 28 2HG LYS 28 15.161 -11.399 -1.027 1496 1HD LYS 28 1HD LYS 28 14.036 -12.603 1.444 1497 2HD LYS 28 2HD LYS 28 14.729 -13.696 0.242 1498 1HE LYS 28 1HE LYS 28 16.196 -11.273 1.250 1499 2HE LYS 28 2HE LYS 28 16.286 -12.834 2.065 1500 1HZ LYS 28 1HZ LYS 28 17.171 -12.171 -0.684 1501 2HZ LYS 28 2HZ LYS 28 17.008 -13.763 -0.135 1502 3HZ LYS 28 3HZ LYS 28 18.115 -12.723 0.608 1503 H VAL 29 H VAL 29 10.622 -10.069 -0.473 1504 HA VAL 29 HA VAL 29 10.081 -11.987 -2.463 1505 HB VAL 29 HB VAL 29 8.125 -10.263 -0.941 1506 1HG1 VAL 29 1HG1 VAL 29 7.675 -12.884 -2.367 1507 2HG1 VAL 29 2HG1 VAL 29 7.153 -11.302 -2.953 1508 3HG1 VAL 29 3HG1 VAL 29 6.476 -11.961 -1.462 1509 1HG2 VAL 29 1HG2 VAL 29 9.844 -11.867 0.249 1510 2HG2 VAL 29 2HG2 VAL 29 8.690 -13.102 -0.257 1511 3HG2 VAL 29 3HG2 VAL 29 8.163 -11.774 0.777 1512 H VAL 30 H VAL 30 9.423 -8.514 -2.308 1513 HA VAL 30 HA VAL 30 7.960 -8.413 -4.737 1514 HB VAL 30 HB VAL 30 9.401 -6.174 -3.304 1515 1HG1 VAL 30 1HG1 VAL 30 8.902 -5.611 -5.635 1516 2HG1 VAL 30 2HG1 VAL 30 7.904 -4.680 -4.521 1517 3HG1 VAL 30 3HG1 VAL 30 7.215 -6.056 -5.382 1518 1HG2 VAL 30 1HG2 VAL 30 7.570 -5.885 -1.982 1519 2HG2 VAL 30 2HG2 VAL 30 7.441 -7.625 -2.239 1520 3HG2 VAL 30 3HG2 VAL 30 6.457 -6.517 -3.196 1521 H LYS 31 H LYS 31 11.380 -7.768 -3.975 1522 HA LYS 31 HA LYS 31 12.074 -6.937 -6.587 1523 1HB LYS 31 1HB LYS 31 13.444 -6.522 -4.541 1524 2HB LYS 31 2HB LYS 31 13.865 -8.229 -4.521 1525 1HG LYS 31 1HG LYS 31 14.653 -7.733 -6.976 1526 2HG LYS 31 2HG LYS 31 14.745 -6.079 -6.376 1527 1HD LYS 31 1HD LYS 31 16.271 -6.728 -4.642 1528 2HD LYS 31 2HD LYS 31 16.059 -8.435 -5.030 1529 1HE LYS 31 1HE LYS 31 16.931 -7.811 -7.360 1530 2HE LYS 31 2HE LYS 31 17.467 -6.308 -6.613 1531 1HZ LYS 31 1HZ LYS 31 18.215 -8.955 -5.520 1532 2HZ LYS 31 2HZ LYS 31 18.931 -7.453 -5.213 1533 3HZ LYS 31 3HZ LYS 31 19.130 -8.191 -6.721 1534 H GLN 32 H GLN 32 12.216 -10.080 -4.953 1535 HA GLN 32 HA GLN 32 13.404 -11.486 -7.098 1536 1HB GLN 32 1HB GLN 32 13.349 -12.305 -4.758 1537 2HB GLN 32 2HB GLN 32 11.618 -12.573 -4.915 1538 1HG GLN 32 1HG GLN 32 12.338 -14.668 -5.368 1539 2HG GLN 32 2HG GLN 32 12.408 -14.003 -6.999 1540 1HE2 GLN 32 1HE2 GLN 32 13.986 -15.481 -7.617 1541 2HE2 GLN 32 2HE2 GLN 32 15.625 -15.347 -7.092 1542 H PHE 33 H PHE 33 10.011 -10.916 -6.194 1543 HA PHE 33 HA PHE 33 8.908 -12.589 -8.177 1544 1HB PHE 33 1HB PHE 33 7.496 -12.262 -6.414 1545 2HB PHE 33 2HB PHE 33 7.936 -10.576 -6.224 1546 HD1 PHE 33 HD1 PHE 33 6.317 -12.616 -8.948 1547 HD2 PHE 33 HD2 PHE 33 6.216 -9.183 -6.434 1548 HE1 PHE 33 HE1 PHE 33 4.183 -11.920 -9.974 1549 HE2 PHE 33 HE2 PHE 33 4.101 -8.476 -7.463 1550 HZ PHE 33 HZ PHE 33 3.079 -9.838 -9.237 1551 H PHE 34 H PHE 34 9.364 -9.054 -8.071 1552 HA PHE 34 HA PHE 34 8.287 -8.788 -10.713 1553 1HB PHE 34 1HB PHE 34 9.443 -6.860 -8.743 1554 2HB PHE 34 2HB PHE 34 9.165 -6.366 -10.417 1555 HD1 PHE 34 HD1 PHE 34 7.741 -6.248 -7.301 1556 HD2 PHE 34 HD2 PHE 34 6.764 -7.356 -11.293 1557 HE1 PHE 34 HE1 PHE 34 5.348 -5.933 -6.803 1558 HE2 PHE 34 HE2 PHE 34 4.375 -7.035 -10.805 1559 HZ PHE 34 HZ PHE 34 3.663 -6.328 -8.560 1560 H ASN 35 H ASN 35 11.534 -9.104 -9.418 1561 HA ASN 35 HA ASN 35 12.988 -8.120 -11.592 1562 1HB ASN 35 1HB ASN 35 13.579 -10.206 -9.526 1563 2HB ASN 35 2HB ASN 35 14.683 -10.004 -10.881 1564 1HD2 ASN 35 1HD2 ASN 35 12.906 -7.317 -9.502 1565 2HD2 ASN 35 2HD2 ASN 35 14.273 -6.543 -8.790 1566 H ASP 36 H ASP 36 11.177 -11.045 -11.259 1567 HA ASP 36 HA ASP 36 12.272 -12.583 -13.331 1568 1HB ASP 36 1HB ASP 36 9.427 -12.540 -12.303 1569 2HB ASP 36 2HB ASP 36 10.137 -13.813 -13.295 1570 H ASN 37 H ASN 37 10.451 -9.725 -13.491 1571 HA ASN 37 HA ASN 37 9.670 -10.272 -16.277 1572 1HB ASN 37 1HB ASN 37 8.024 -8.555 -16.132 1573 2HB ASN 37 2HB ASN 37 7.873 -9.544 -14.685 1574 1HD2 ASN 37 1HD2 ASN 37 7.588 -8.449 -12.902 1575 2HD2 ASN 37 2HD2 ASN 37 8.153 -6.850 -12.580 1576 H GLY 38 H GLY 38 11.946 -8.506 -14.439 1577 1HA GLY 38 1HA GLY 38 13.778 -7.689 -15.944 1578 2HA GLY 38 2HA GLY 38 12.517 -6.815 -16.797 1579 H VAL 39 H VAL 39 12.162 -6.927 -13.379 1580 HA VAL 39 HA VAL 39 12.745 -4.077 -13.244 1581 HB VAL 39 HB VAL 39 11.706 -5.836 -11.023 1582 1HG1 VAL 39 1HG1 VAL 39 10.715 -3.554 -10.348 1583 2HG1 VAL 39 2HG1 VAL 39 11.921 -2.877 -11.444 1584 3HG1 VAL 39 3HG1 VAL 39 12.431 -3.844 -10.061 1585 1HG2 VAL 39 1HG2 VAL 39 9.481 -4.725 -11.722 1586 2HG2 VAL 39 2HG2 VAL 39 10.068 -6.106 -12.648 1587 3HG2 VAL 39 3HG2 VAL 39 10.279 -4.471 -13.274 1588 H ASP 40 H ASP 40 14.289 -3.135 -11.945 1589 HA ASP 40 HA ASP 40 15.950 -4.747 -10.215 1590 1HB ASP 40 1HB ASP 40 16.950 -3.674 -12.838 1591 2HB ASP 40 2HB ASP 40 18.047 -3.885 -11.479 1592 H GLY 41 H GLY 41 17.966 -3.239 -9.574 1593 1HA GLY 41 1HA GLY 41 18.552 -0.857 -9.259 1594 2HA GLY 41 2HA GLY 41 16.838 -0.564 -9.018 1595 H GLU 42 H GLU 42 16.974 0.265 -6.963 1596 HA GLU 42 HA GLU 42 17.394 -1.694 -4.863 1597 1HB GLU 42 1HB GLU 42 18.961 0.888 -4.983 1598 2HB GLU 42 2HB GLU 42 18.860 -0.148 -3.567 1599 1HG GLU 42 1HG GLU 42 19.722 -1.988 -5.199 1600 2HG GLU 42 2HG GLU 42 20.263 -0.609 -6.155 1601 H TRP 43 H TRP 43 16.557 -0.999 -2.787 1602 HA TRP 43 HA TRP 43 14.153 0.522 -3.084 1603 1HB TRP 43 1HB TRP 43 15.466 -0.811 -0.720 1604 2HB TRP 43 2HB TRP 43 13.968 0.105 -0.578 1605 HD1 TRP 43 HD1 TRP 43 15.299 -3.256 -1.598 1606 HE1 TRP 43 HE1 TRP 43 13.354 -4.768 -2.344 1607 HE3 TRP 43 HE3 TRP 43 11.580 0.248 -1.815 1608 HZ2 TRP 43 HZ2 TRP 43 10.609 -4.510 -2.945 1609 HZ3 TRP 43 HZ3 TRP 43 9.323 -0.469 -2.485 1610 HH2 TRP 43 HH2 TRP 43 8.850 -2.799 -3.039 1611 H THR 44 H THR 44 14.029 2.623 -3.060 1612 HA THR 44 HA THR 44 15.999 4.146 -1.499 1613 HB THR 44 HB THR 44 15.587 6.009 -3.003 1614 HG1 THR 44 HG1 THR 44 13.577 5.934 -3.709 1615 1HG2 THR 44 1HG2 THR 44 15.958 3.524 -4.655 1616 2HG2 THR 44 2HG2 THR 44 17.233 4.334 -3.747 1617 3HG2 THR 44 3HG2 THR 44 16.437 5.167 -5.083 1618 H TYR 45 H TYR 45 15.343 5.662 -0.082 1619 HA TYR 45 HA TYR 45 12.733 5.388 1.041 1620 1HB TYR 45 1HB TYR 45 15.116 7.101 1.661 1621 2HB TYR 45 2HB TYR 45 13.572 7.427 2.437 1622 HD1 TYR 45 HD1 TYR 45 16.441 5.199 2.279 1623 HD2 TYR 45 HD2 TYR 45 12.567 5.751 3.946 1624 HE1 TYR 45 HE1 TYR 45 16.917 3.457 3.949 1625 HE2 TYR 45 HE2 TYR 45 13.032 4.013 5.620 1626 HH TYR 45 HH TYR 45 15.203 3.032 6.702 1627 H ASP 46 H ASP 46 11.015 6.800 1.025 1628 HA ASP 46 HA ASP 46 10.733 8.439 -1.294 1629 1HB ASP 46 1HB ASP 46 8.970 8.076 1.138 1630 2HB ASP 46 2HB ASP 46 8.517 9.032 -0.269 1631 H ASP 47 H ASP 47 10.103 10.722 -1.253 1632 HA ASP 47 HA ASP 47 11.945 12.303 0.201 1633 1HB ASP 47 1HB ASP 47 9.696 12.836 -1.681 1634 2HB ASP 47 2HB ASP 47 10.257 14.174 -0.682 1635 H ALA 48 H ALA 48 11.767 13.404 2.081 1636 HA ALA 48 HA ALA 48 9.923 12.699 4.015 1637 1HB ALA 48 1HB ALA 48 11.533 15.243 3.866 1638 2HB ALA 48 2HB ALA 48 12.086 13.701 4.521 1639 3HB ALA 48 3HB ALA 48 10.779 14.579 5.315 1640 H THR 49 H THR 49 8.027 13.490 4.766 1641 HA THR 49 HA THR 49 6.843 15.805 3.387 1642 HB THR 49 HB THR 49 5.294 13.332 4.161 1643 HG1 THR 49 HG1 THR 49 6.086 12.470 2.438 1644 1HG2 THR 49 1HG2 THR 49 3.937 14.478 2.133 1645 2HG2 THR 49 2HG2 THR 49 4.588 15.903 2.945 1646 3HG2 THR 49 3HG2 THR 49 3.597 14.753 3.842 1647 H LYS 50 H LYS 50 5.169 16.909 4.601 1648 HA LYS 50 HA LYS 50 5.323 16.412 7.501 1649 1HB LYS 50 1HB LYS 50 5.552 19.003 5.993 1650 2HB LYS 50 2HB LYS 50 5.017 18.975 7.668 1651 1HG LYS 50 1HG LYS 50 7.072 18.223 8.445 1652 2HG LYS 50 2HG LYS 50 7.563 17.630 6.860 1653 1HD LYS 50 1HD LYS 50 7.402 20.132 6.166 1654 2HD LYS 50 2HD LYS 50 7.512 20.433 7.902 1655 1HE LYS 50 1HE LYS 50 9.647 19.512 8.048 1656 2HE LYS 50 2HE LYS 50 9.477 18.637 6.527 1657 1HZ LYS 50 1HZ LYS 50 9.953 21.527 6.932 1658 2HZ LYS 50 2HZ LYS 50 9.388 20.918 5.460 1659 3HZ LYS 50 3HZ LYS 50 10.889 20.420 6.060 1660 H THR 51 H THR 51 3.421 15.940 8.332 1661 HA THR 51 HA THR 51 0.992 16.937 7.002 1662 HB THR 51 HB THR 51 1.497 14.450 8.647 1663 HG1 THR 51 HG1 THR 51 0.870 13.440 6.727 1664 1HG2 THR 51 1HG2 THR 51 -0.770 13.832 8.497 1665 2HG2 THR 51 2HG2 THR 51 -1.158 15.207 7.460 1666 3HG2 THR 51 3HG2 THR 51 -0.754 15.467 9.156 1667 H PHE 52 H PHE 52 -0.360 18.246 8.085 1668 HA PHE 52 HA PHE 52 0.420 19.188 10.696 1669 1HB PHE 52 1HB PHE 52 -0.399 20.712 8.899 1670 2HB PHE 52 2HB PHE 52 -1.989 19.966 9.041 1671 HD1 PHE 52 HD1 PHE 52 0.474 22.135 10.679 1672 HD2 PHE 52 HD2 PHE 52 -3.431 20.457 10.889 1673 HE1 PHE 52 HE1 PHE 52 -0.109 23.726 12.463 1674 HE2 PHE 52 HE2 PHE 52 -4.022 22.046 12.673 1675 HZ PHE 52 HZ PHE 52 -2.360 23.683 13.462 1676 H THR 53 H THR 53 -0.179 18.198 12.507 1677 HA THR 53 HA THR 53 -2.553 16.511 12.527 1678 HB THR 53 HB THR 53 -0.464 16.996 14.663 1679 HG1 THR 53 HG1 THR 53 0.209 15.875 12.711 1680 1HG2 THR 53 1HG2 THR 53 -1.317 14.854 15.612 1681 2HG2 THR 53 2HG2 THR 53 -2.703 14.999 14.533 1682 3HG2 THR 53 3HG2 THR 53 -2.416 16.224 15.769 1683 H VAL 54 H VAL 54 -4.469 17.205 13.233 1684 HA VAL 54 HA VAL 54 -4.799 19.844 14.255 1685 HB VAL 54 HB VAL 54 -6.919 17.717 14.399 1686 1HG1 VAL 54 1HG1 VAL 54 -7.862 19.565 15.319 1687 2HG1 VAL 54 2HG1 VAL 54 -8.180 19.932 13.623 1688 3HG1 VAL 54 3HG1 VAL 54 -6.807 20.675 14.445 1689 1HG2 VAL 54 1HG2 VAL 54 -5.785 19.054 11.986 1690 2HG2 VAL 54 2HG2 VAL 54 -7.516 18.733 12.054 1691 3HG2 VAL 54 3HG2 VAL 54 -6.366 17.401 12.190 1692 H THR 55 H THR 55 -5.744 20.442 16.279 1693 HA THR 55 HA THR 55 -5.645 18.496 18.436 1694 HB THR 55 HB THR 55 -4.008 21.035 18.496 1695 HG1 THR 55 HG1 THR 55 -3.257 18.308 18.337 1696 1HG2 THR 55 1HG2 THR 55 -4.250 20.854 20.705 1697 2HG2 THR 55 2HG2 THR 55 -3.121 19.507 20.553 1698 3HG2 THR 55 3HG2 THR 55 -4.856 19.201 20.605 1699 H GLU 56 H GLU 56 -5.703 22.036 18.200 1700 HA GLU 56 HA GLU 56 -7.185 23.596 18.938 1701 1HB GLU 56 1HB GLU 56 -9.260 21.413 18.709 1702 2HB GLU 56 2HB GLU 56 -9.535 23.147 18.669 1703 1HG GLU 56 1HG GLU 56 -8.374 23.320 16.558 1704 2HG GLU 56 2HG GLU 56 -7.979 21.603 16.608 Start of MODEL 21 1 1H MET 1 1H MET 1 11.371 20.972 0.101 2 2H MET 1 2H MET 1 9.894 21.595 -0.512 3 3H MET 1 3H MET 1 10.495 20.091 -1.080 4 HA MET 1 HA MET 1 10.126 19.059 0.950 5 1HB MET 1 1HB MET 1 9.928 21.885 1.854 6 2HB MET 1 2HB MET 1 8.924 20.710 2.692 7 1HG MET 1 1HG MET 1 11.749 19.963 2.318 8 2HG MET 1 2HG MET 1 11.437 21.314 3.406 9 1HE MET 1 1HE MET 1 10.221 17.615 2.588 10 2HE MET 1 2HE MET 1 8.768 18.574 2.867 11 3HE MET 1 3HE MET 1 9.229 17.317 4.015 12 H GLN 2 H GLN 2 8.307 17.921 0.917 13 HA GLN 2 HA GLN 2 6.005 19.009 -0.498 14 1HB GLN 2 1HB GLN 2 7.016 16.691 -0.912 15 2HB GLN 2 2HB GLN 2 6.270 16.219 0.608 16 1HG GLN 2 1HG GLN 2 4.145 16.344 -0.231 17 2HG GLN 2 2HG GLN 2 4.586 17.519 -1.470 18 1HE2 GLN 2 1HE2 GLN 2 5.748 14.283 -0.582 19 2HE2 GLN 2 2HE2 GLN 2 5.591 13.606 -2.164 20 H TYR 3 H TYR 3 4.288 19.819 0.510 21 HA TYR 3 HA TYR 3 3.946 19.187 3.359 22 1HB TYR 3 1HB TYR 3 3.415 21.670 1.774 23 2HB TYR 3 2HB TYR 3 2.518 21.370 3.261 24 HD1 TYR 3 HD1 TYR 3 5.680 22.401 1.836 25 HD2 TYR 3 HD2 TYR 3 3.757 21.130 5.412 26 HE1 TYR 3 HE1 TYR 3 7.560 23.282 3.155 27 HE2 TYR 3 HE2 TYR 3 5.630 22.008 6.740 28 HH TYR 3 HH TYR 3 8.118 22.488 6.318 29 H LYS 4 H LYS 4 2.194 18.313 4.084 30 HA LYS 4 HA LYS 4 -0.009 17.760 2.208 31 1HB LYS 4 1HB LYS 4 0.748 16.321 4.759 32 2HB LYS 4 2HB LYS 4 -0.581 15.879 3.697 33 1HG LYS 4 1HG LYS 4 2.060 16.071 2.412 34 2HG LYS 4 2HG LYS 4 1.867 14.771 3.590 35 1HD LYS 4 1HD LYS 4 -0.192 15.229 1.462 36 2HD LYS 4 2HD LYS 4 1.277 14.316 1.112 37 1HE LYS 4 1HE LYS 4 0.660 12.963 3.225 38 2HE LYS 4 2HE LYS 4 -0.944 13.665 3.015 39 1HZ LYS 4 1HZ LYS 4 -0.930 12.760 0.727 40 2HZ LYS 4 2HZ LYS 4 -0.880 11.563 1.920 41 3HZ LYS 4 3HZ LYS 4 0.526 11.971 1.073 42 H VAL 5 H VAL 5 -1.928 18.682 2.523 43 HA VAL 5 HA VAL 5 -2.723 19.494 5.222 44 HB VAL 5 HB VAL 5 -2.948 21.382 2.876 45 1HG1 VAL 5 1HG1 VAL 5 -4.645 21.582 4.676 46 2HG1 VAL 5 2HG1 VAL 5 -3.625 23.011 4.508 47 3HG1 VAL 5 3HG1 VAL 5 -3.339 21.874 5.824 48 1HG2 VAL 5 1HG2 VAL 5 -0.866 21.164 5.024 49 2HG2 VAL 5 2HG2 VAL 5 -1.222 22.705 4.244 50 3HG2 VAL 5 3HG2 VAL 5 -0.650 21.343 3.283 51 H ILE 6 H ILE 6 -4.708 18.747 5.606 52 HA ILE 6 HA ILE 6 -6.406 17.991 3.352 53 HB ILE 6 HB ILE 6 -6.887 17.451 6.280 54 1HG1 ILE 6 1HG1 ILE 6 -5.608 15.587 4.272 55 2HG1 ILE 6 2HG1 ILE 6 -4.692 16.541 5.434 56 1HG2 ILE 6 1HG2 ILE 6 -8.223 15.546 5.304 57 2HG2 ILE 6 2HG2 ILE 6 -8.033 16.331 3.735 58 3HG2 ILE 6 3HG2 ILE 6 -8.880 17.162 5.041 59 1HD1 ILE 6 1HD1 ILE 6 -5.030 14.225 6.161 60 2HD1 ILE 6 2HD1 ILE 6 -6.773 14.488 6.143 61 3HD1 ILE 6 3HD1 ILE 6 -5.758 15.389 7.268 62 H LEU 7 H LEU 7 -7.900 19.364 2.660 63 HA LEU 7 HA LEU 7 -9.030 21.321 4.545 64 1HB LEU 7 1HB LEU 7 -8.435 21.370 1.644 65 2HB LEU 7 2HB LEU 7 -9.919 22.164 2.132 66 HG LEU 7 HG LEU 7 -8.130 23.195 3.931 67 1HD1 LEU 7 1HD1 LEU 7 -6.319 23.983 2.172 68 2HD1 LEU 7 2HD1 LEU 7 -6.677 22.406 1.469 69 3HD1 LEU 7 3HD1 LEU 7 -6.109 22.520 3.135 70 1HD2 LEU 7 1HD2 LEU 7 -8.872 24.275 1.212 71 2HD2 LEU 7 2HD2 LEU 7 -8.211 25.229 2.541 72 3HD2 LEU 7 3HD2 LEU 7 -9.794 24.467 2.703 73 H ASN 8 H ASN 8 -11.068 21.030 5.220 74 HA ASN 8 HA ASN 8 -13.041 19.817 3.493 75 1HB ASN 8 1HB ASN 8 -11.900 18.421 5.867 76 2HB ASN 8 2HB ASN 8 -13.628 18.267 5.570 77 1HD2 ASN 8 1HD2 ASN 8 -11.623 16.211 5.468 78 2HD2 ASN 8 2HD2 ASN 8 -11.640 15.574 3.862 79 H GLY 9 H GLY 9 -12.619 20.409 6.970 80 1HA GLY 9 1HA GLY 9 -13.706 22.633 7.654 81 2HA GLY 9 2HA GLY 9 -15.141 21.930 6.924 82 H LYS 10 H LYS 10 -14.854 19.285 7.824 83 HA LYS 10 HA LYS 10 -15.431 17.961 9.582 84 1HB LYS 10 1HB LYS 10 -13.414 19.820 10.699 85 2HB LYS 10 2HB LYS 10 -14.394 18.948 11.870 86 1HG LYS 10 1HG LYS 10 -13.186 17.379 9.667 87 2HG LYS 10 2HG LYS 10 -12.110 17.990 10.925 88 1HD LYS 10 1HD LYS 10 -14.012 17.003 12.494 89 2HD LYS 10 2HD LYS 10 -14.284 15.971 11.089 90 1HE LYS 10 1HE LYS 10 -11.926 15.306 11.130 91 2HE LYS 10 2HE LYS 10 -11.662 16.335 12.537 92 1HZ LYS 10 1HZ LYS 10 -12.867 14.938 13.894 93 2HZ LYS 10 2HZ LYS 10 -12.098 13.832 12.872 94 3HZ LYS 10 3HZ LYS 10 -13.721 14.231 12.616 95 H THR 11 H THR 11 -17.564 18.059 9.916 96 HA THR 11 HA THR 11 -18.841 20.427 10.942 97 HB THR 11 HB THR 11 -20.915 19.063 10.793 98 HG1 THR 11 HG1 THR 11 -20.360 17.010 11.110 99 1HG2 THR 11 1HG2 THR 11 -19.809 20.238 8.775 100 2HG2 THR 11 2HG2 THR 11 -21.109 19.079 8.499 101 3HG2 THR 11 3HG2 THR 11 -19.431 18.598 8.248 102 H LEU 12 H LEU 12 -20.266 20.404 12.813 103 HA LEU 12 HA LEU 12 -19.205 18.707 14.976 104 1HB LEU 12 1HB LEU 12 -19.983 21.585 14.873 105 2HB LEU 12 2HB LEU 12 -20.216 20.714 16.376 106 HG LEU 12 HG LEU 12 -17.560 20.799 14.959 107 1HD1 LEU 12 1HD1 LEU 12 -18.591 22.644 17.109 108 2HD1 LEU 12 2HD1 LEU 12 -18.202 23.086 15.447 109 3HD1 LEU 12 3HD1 LEU 12 -16.923 22.562 16.542 110 1HD2 LEU 12 1HD2 LEU 12 -16.988 20.493 17.540 111 2HD2 LEU 12 2HD2 LEU 12 -17.330 19.127 16.479 112 3HD2 LEU 12 3HD2 LEU 12 -18.592 19.761 17.535 113 H LYS 13 H LYS 13 -20.965 18.973 16.936 114 HA LYS 13 HA LYS 13 -23.400 17.806 15.804 115 1HB LYS 13 1HB LYS 13 -22.123 17.681 18.526 116 2HB LYS 13 2HB LYS 13 -23.786 17.169 18.267 117 1HG LYS 13 1HG LYS 13 -21.397 16.046 16.819 118 2HG LYS 13 2HG LYS 13 -22.173 15.307 18.221 119 1HD LYS 13 1HD LYS 13 -24.331 15.541 16.726 120 2HD LYS 13 2HD LYS 13 -23.148 15.559 15.417 121 1HE LYS 13 1HE LYS 13 -23.255 13.436 17.551 122 2HE LYS 13 2HE LYS 13 -24.063 13.296 15.990 123 1HZ LYS 13 1HZ LYS 13 -22.030 12.212 15.723 124 2HZ LYS 13 2HZ LYS 13 -21.162 13.407 16.547 125 3HZ LYS 13 3HZ LYS 13 -21.780 13.723 15.005 126 H GLY 14 H GLY 14 -23.213 20.564 15.539 127 1HA GLY 14 1HA GLY 14 -25.360 21.425 17.370 128 2HA GLY 14 2HA GLY 14 -23.995 22.479 17.036 129 H GLU 15 H GLU 15 -23.739 23.328 14.904 130 HA GLU 15 HA GLU 15 -25.549 22.883 12.803 131 1HB GLU 15 1HB GLU 15 -26.880 24.932 12.892 132 2HB GLU 15 2HB GLU 15 -27.175 23.930 14.307 133 1HG GLU 15 1HG GLU 15 -25.301 25.446 15.358 134 2HG GLU 15 2HG GLU 15 -25.813 26.560 14.091 135 H THR 16 H THR 16 -24.085 23.163 11.254 136 HA THR 16 HA THR 16 -22.305 25.496 11.377 137 HB THR 16 HB THR 16 -22.037 23.163 9.489 138 HG1 THR 16 HG1 THR 16 -21.697 22.026 11.220 139 1HG2 THR 16 1HG2 THR 16 -19.633 24.367 10.587 140 2HG2 THR 16 2HG2 THR 16 -20.610 25.495 9.648 141 3HG2 THR 16 3HG2 THR 16 -20.056 23.988 8.918 142 H THR 17 H THR 17 -24.018 23.610 8.880 143 HA THR 17 HA THR 17 -25.183 24.230 7.032 144 HB THR 17 HB THR 17 -25.196 27.024 8.185 145 HG1 THR 17 HG1 THR 17 -27.098 24.960 8.571 146 1HG2 THR 17 1HG2 THR 17 -27.099 27.452 6.903 147 2HG2 THR 17 2HG2 THR 17 -27.317 25.749 6.498 148 3HG2 THR 17 3HG2 THR 17 -25.979 26.658 5.795 149 H THR 18 H THR 18 -23.288 27.184 7.691 150 HA THR 18 HA THR 18 -22.524 27.491 4.981 151 HB THR 18 HB THR 18 -22.628 29.390 6.518 152 HG1 THR 18 HG1 THR 18 -20.731 30.355 5.855 153 1HG2 THR 18 1HG2 THR 18 -21.124 29.780 8.271 154 2HG2 THR 18 2HG2 THR 18 -20.113 28.407 7.817 155 3HG2 THR 18 3HG2 THR 18 -21.712 28.134 8.510 156 H GLU 19 H GLU 19 -20.073 27.789 4.475 157 HA GLU 19 HA GLU 19 -18.736 25.297 5.279 158 1HB GLU 19 1HB GLU 19 -17.413 25.621 3.164 159 2HB GLU 19 2HB GLU 19 -19.128 25.318 2.926 160 1HG GLU 19 1HG GLU 19 -18.416 28.150 3.119 161 2HG GLU 19 2HG GLU 19 -17.713 27.307 1.739 162 H ALA 20 H ALA 20 -16.443 25.323 5.596 163 HA ALA 20 HA ALA 20 -15.364 27.967 6.315 164 1HB ALA 20 1HB ALA 20 -15.197 25.387 7.844 165 2HB ALA 20 2HB ALA 20 -15.830 26.941 8.385 166 3HB ALA 20 3HB ALA 20 -14.098 26.734 8.134 167 H VAL 21 H VAL 21 -14.174 24.633 6.079 168 HA VAL 21 HA VAL 21 -11.815 25.616 4.646 169 HB VAL 21 HB VAL 21 -12.278 22.833 5.716 170 1HG1 VAL 21 1HG1 VAL 21 -10.544 22.798 4.126 171 2HG1 VAL 21 2HG1 VAL 21 -9.738 22.866 5.694 172 3HG1 VAL 21 3HG1 VAL 21 -9.871 24.322 4.706 173 1HG2 VAL 21 1HG2 VAL 21 -10.812 23.571 7.610 174 2HG2 VAL 21 2HG2 VAL 21 -12.421 24.294 7.598 175 3HG2 VAL 21 3HG2 VAL 21 -11.030 25.230 7.050 176 H ASP 22 H ASP 22 -12.613 25.906 2.580 177 HA ASP 22 HA ASP 22 -13.810 23.596 1.224 178 1HB ASP 22 1HB ASP 22 -14.944 25.830 1.152 179 2HB ASP 22 2HB ASP 22 -13.562 26.446 0.250 180 H ALA 23 H ALA 23 -12.912 22.591 -0.451 181 HA ALA 23 HA ALA 23 -10.215 22.419 -0.834 182 1HB ALA 23 1HB ALA 23 -12.495 21.304 -1.959 183 2HB ALA 23 2HB ALA 23 -10.823 20.818 -2.254 184 3HB ALA 23 3HB ALA 23 -11.609 21.979 -3.327 185 H ALA 24 H ALA 24 -12.478 24.547 -2.531 186 HA ALA 24 HA ALA 24 -10.602 25.621 -4.364 187 1HB ALA 24 1HB ALA 24 -12.314 27.419 -4.665 188 2HB ALA 24 2HB ALA 24 -13.255 26.658 -3.381 189 3HB ALA 24 3HB ALA 24 -12.928 25.779 -4.875 190 H THR 25 H THR 25 -11.410 26.349 -1.062 191 HA THR 25 HA THR 25 -10.446 28.978 -0.891 192 HB THR 25 HB THR 25 -10.624 26.769 1.165 193 HG1 THR 25 HG1 THR 25 -12.489 28.095 0.061 194 1HG2 THR 25 1HG2 THR 25 -9.559 29.491 1.461 195 2HG2 THR 25 2HG2 THR 25 -9.260 28.032 2.411 196 3HG2 THR 25 3HG2 THR 25 -10.735 28.969 2.666 197 H PHE 26 H PHE 26 -8.840 25.869 -0.666 198 HA PHE 26 HA PHE 26 -6.298 26.900 0.124 199 1HB PHE 26 1HB PHE 26 -7.059 24.496 0.392 200 2HB PHE 26 2HB PHE 26 -6.771 24.299 -1.334 201 HD1 PHE 26 HD1 PHE 26 -5.000 25.651 1.661 202 HD2 PHE 26 HD2 PHE 26 -4.746 23.413 -1.951 203 HE1 PHE 26 HE1 PHE 26 -2.623 25.201 2.111 204 HE2 PHE 26 HE2 PHE 26 -2.369 22.957 -1.505 205 HZ PHE 26 HZ PHE 26 -1.305 23.852 0.528 206 H GLU 27 H GLU 27 -7.630 25.819 -2.985 207 HA GLU 27 HA GLU 27 -5.422 26.219 -4.595 208 1HB GLU 27 1HB GLU 27 -8.275 26.777 -5.407 209 2HB GLU 27 2HB GLU 27 -6.944 26.320 -6.461 210 1HG GLU 27 1HG GLU 27 -6.858 24.194 -4.953 211 2HG GLU 27 2HG GLU 27 -8.514 24.652 -4.555 212 H LYS 28 H LYS 28 -8.023 28.576 -3.941 213 HA LYS 28 HA LYS 28 -6.867 30.651 -5.451 214 1HB LYS 28 1HB LYS 28 -9.249 30.554 -4.795 215 2HB LYS 28 2HB LYS 28 -8.787 30.875 -3.130 216 1HG LYS 28 1HG LYS 28 -7.807 33.034 -3.885 217 2HG LYS 28 2HG LYS 28 -8.466 32.713 -5.491 218 1HD LYS 28 1HD LYS 28 -10.295 32.566 -3.145 219 2HD LYS 28 2HD LYS 28 -9.794 34.156 -3.724 220 1HE LYS 28 1HE LYS 28 -10.573 33.539 -5.985 221 2HE LYS 28 2HE LYS 28 -11.143 31.999 -5.344 222 1HZ LYS 28 1HZ LYS 28 -12.479 33.453 -3.735 223 2HZ LYS 28 2HZ LYS 28 -13.022 33.328 -5.332 224 3HZ LYS 28 3HZ LYS 28 -12.185 34.709 -4.829 225 H VAL 29 H VAL 29 -6.811 30.067 -1.918 226 HA VAL 29 HA VAL 29 -5.312 32.351 -1.270 227 HB VAL 29 HB VAL 29 -5.452 29.719 0.204 228 1HG1 VAL 29 1HG1 VAL 29 -4.799 31.029 2.176 229 2HG1 VAL 29 2HG1 VAL 29 -4.596 32.452 1.155 230 3HG1 VAL 29 3HG1 VAL 29 -3.547 31.051 0.932 231 1HG2 VAL 29 1HG2 VAL 29 -7.527 31.385 -0.344 232 2HG2 VAL 29 2HG2 VAL 29 -6.954 32.039 1.191 233 3HG2 VAL 29 3HG2 VAL 29 -7.427 30.344 1.076 234 H VAL 30 H VAL 30 -4.299 29.058 -2.084 235 HA VAL 30 HA VAL 30 -1.551 29.504 -1.509 236 HB VAL 30 HB VAL 30 -2.790 27.376 -3.263 237 1HG1 VAL 30 1HG1 VAL 30 -0.681 26.135 -2.757 238 2HG1 VAL 30 2HG1 VAL 30 -0.033 27.622 -2.065 239 3HG1 VAL 30 3HG1 VAL 30 -0.456 27.557 -3.776 240 1HG2 VAL 30 1HG2 VAL 30 -3.362 27.650 -0.703 241 2HG2 VAL 30 2HG2 VAL 30 -1.793 26.870 -0.506 242 3HG2 VAL 30 3HG2 VAL 30 -3.072 26.061 -1.411 243 H LYS 31 H LYS 31 -3.404 29.549 -4.576 244 HA LYS 31 HA LYS 31 -1.179 30.027 -6.227 245 1HB LYS 31 1HB LYS 31 -3.398 29.274 -7.038 246 2HB LYS 31 2HB LYS 31 -4.060 30.853 -6.639 247 1HG LYS 31 1HG LYS 31 -2.502 31.876 -8.260 248 2HG LYS 31 2HG LYS 31 -1.950 30.259 -8.703 249 1HD LYS 31 1HD LYS 31 -4.178 29.667 -9.448 250 2HD LYS 31 2HD LYS 31 -4.800 31.230 -8.913 251 1HE LYS 31 1HE LYS 31 -2.943 32.160 -10.517 252 2HE LYS 31 2HE LYS 31 -3.081 30.566 -11.258 253 1HZ LYS 31 1HZ LYS 31 -5.351 30.938 -11.736 254 2HZ LYS 31 2HZ LYS 31 -4.534 32.334 -12.231 255 3HZ LYS 31 3HZ LYS 31 -5.412 32.336 -10.785 256 H GLN 32 H GLN 32 -3.483 32.203 -4.647 257 HA GLN 32 HA GLN 32 -2.446 34.604 -5.686 258 1HB GLN 32 1HB GLN 32 -4.676 34.316 -4.564 259 2HB GLN 32 2HB GLN 32 -3.830 34.238 -3.024 260 1HG GLN 32 1HG GLN 32 -3.094 36.477 -3.209 261 2HG GLN 32 2HG GLN 32 -3.591 36.572 -4.898 262 1HE2 GLN 32 1HE2 GLN 32 -6.046 35.827 -5.076 263 2HE2 GLN 32 2HE2 GLN 32 -7.104 36.699 -4.026 264 H PHE 33 H PHE 33 -1.765 32.881 -2.622 265 HA PHE 33 HA PHE 33 0.075 34.799 -1.679 266 1HB PHE 33 1HB PHE 33 -0.838 33.526 -0.001 267 2HB PHE 33 2HB PHE 33 -0.747 32.037 -0.926 268 HD1 PHE 33 HD1 PHE 33 1.734 34.540 0.371 269 HD2 PHE 33 HD2 PHE 33 0.551 30.468 0.014 270 HE1 PHE 33 HE1 PHE 33 3.715 33.850 1.668 271 HE2 PHE 33 HE2 PHE 33 2.529 29.772 1.298 272 HZ PHE 33 HZ PHE 33 4.115 31.455 2.125 273 H PHE 34 H PHE 34 0.547 31.703 -3.382 274 HA PHE 34 HA PHE 34 3.386 31.995 -3.336 275 1HB PHE 34 1HB PHE 34 1.518 30.015 -4.552 276 2HB PHE 34 2HB PHE 34 3.201 30.056 -5.084 277 HD1 PHE 34 HD1 PHE 34 1.015 29.645 -2.126 278 HD2 PHE 34 HD2 PHE 34 4.936 29.238 -3.729 279 HE1 PHE 34 HE1 PHE 34 1.717 28.440 -0.098 280 HE2 PHE 34 HE2 PHE 34 5.643 28.027 -1.710 281 HZ PHE 34 HZ PHE 34 4.039 27.639 0.117 282 H ASN 35 H ASN 35 0.903 32.865 -5.670 283 HA ASN 35 HA ASN 35 2.530 33.238 -7.913 284 1HB ASN 35 1HB ASN 35 -0.022 34.522 -7.003 285 2HB ASN 35 2HB ASN 35 0.817 35.166 -8.410 286 1HD2 ASN 35 1HD2 ASN 35 0.922 31.759 -7.649 287 2HD2 ASN 35 2HD2 ASN 35 -0.090 31.245 -8.948 288 H ASP 36 H ASP 36 2.148 35.163 -5.041 289 HA ASP 36 HA ASP 36 3.285 37.573 -5.920 290 1HB ASP 36 1HB ASP 36 3.332 36.374 -3.143 291 2HB ASP 36 2HB ASP 36 3.639 38.062 -3.542 292 H ASN 37 H ASN 37 4.749 34.541 -5.330 293 HA ASN 37 HA ASN 37 7.400 35.799 -5.104 294 1HB ASN 37 1HB ASN 37 8.239 33.697 -4.250 295 2HB ASN 37 2HB ASN 37 6.819 34.183 -3.329 296 1HD2 ASN 37 1HD2 ASN 37 5.566 32.560 -2.848 297 2HD2 ASN 37 2HD2 ASN 37 5.268 31.166 -3.824 298 H GLY 38 H GLY 38 5.419 33.956 -7.262 299 1HA GLY 38 1HA GLY 38 6.346 34.250 -9.604 300 2HA GLY 38 2HA GLY 38 7.787 33.484 -8.965 301 H VAL 39 H VAL 39 4.856 32.196 -7.729 302 HA VAL 39 HA VAL 39 5.313 29.761 -9.259 303 HB VAL 39 HB VAL 39 3.277 30.221 -7.075 304 1HG1 VAL 39 1HG1 VAL 39 3.753 27.632 -6.928 305 2HG1 VAL 39 2HG1 VAL 39 4.204 27.850 -8.619 306 3HG1 VAL 39 3HG1 VAL 39 2.582 28.281 -8.076 307 1HG2 VAL 39 1HG2 VAL 39 5.079 30.434 -5.748 308 2HG2 VAL 39 2HG2 VAL 39 6.175 29.783 -6.967 309 3HG2 VAL 39 3HG2 VAL 39 5.230 28.690 -5.956 310 H ASP 40 H ASP 40 3.831 28.817 -10.648 311 HA ASP 40 HA ASP 40 1.245 30.035 -11.074 312 1HB ASP 40 1HB ASP 40 3.489 30.291 -13.059 313 2HB ASP 40 2HB ASP 40 1.811 30.265 -13.594 314 H GLY 41 H GLY 41 0.354 28.958 -13.286 315 1HA GLY 41 1HA GLY 41 0.484 26.853 -14.573 316 2HA GLY 41 2HA GLY 41 0.967 26.072 -13.074 317 H GLU 42 H GLU 42 -0.706 24.601 -12.986 318 HA GLU 42 HA GLU 42 -3.260 25.698 -12.134 319 1HB GLU 42 1HB GLU 42 -2.985 23.831 -14.492 320 2HB GLU 42 2HB GLU 42 -4.503 24.137 -13.661 321 1HG GLU 42 1HG GLU 42 -3.876 26.646 -14.173 322 2HG GLU 42 2HG GLU 42 -2.932 25.897 -15.461 323 H TRP 43 H TRP 43 -4.618 24.136 -11.066 324 HA TRP 43 HA TRP 43 -3.107 22.295 -9.493 325 1HB TRP 43 1HB TRP 43 -6.030 22.991 -9.642 326 2HB TRP 43 2HB TRP 43 -5.444 21.692 -8.608 327 HD1 TRP 43 HD1 TRP 43 -5.773 25.430 -8.773 328 HE1 TRP 43 HE1 TRP 43 -4.839 26.478 -6.616 329 HE3 TRP 43 HE3 TRP 43 -3.508 21.301 -6.782 330 HZ2 TRP 43 HZ2 TRP 43 -3.336 25.662 -4.368 331 HZ3 TRP 43 HZ3 TRP 43 -2.343 21.520 -4.626 332 HH2 TRP 43 HH2 TRP 43 -2.260 23.656 -3.446 333 H THR 44 H THR 44 -2.533 20.344 -10.048 334 HA THR 44 HA THR 44 -4.193 18.873 -11.982 335 HB THR 44 HB THR 44 -2.167 17.582 -12.513 336 HG1 THR 44 HG1 THR 44 -0.954 17.648 -10.707 337 1HG2 THR 44 1HG2 THR 44 -1.068 19.141 -13.817 338 2HG2 THR 44 2HG2 THR 44 -1.318 20.441 -12.652 339 3HG2 THR 44 3HG2 THR 44 -2.671 19.849 -13.616 340 H TYR 45 H TYR 45 -4.893 16.865 -11.514 341 HA TYR 45 HA TYR 45 -5.094 16.118 -8.775 342 1HB TYR 45 1HB TYR 45 -5.967 14.870 -11.361 343 2HB TYR 45 2HB TYR 45 -6.083 13.963 -9.857 344 HD1 TYR 45 HD1 TYR 45 -7.530 16.574 -11.892 345 HD2 TYR 45 HD2 TYR 45 -7.523 14.839 -8.008 346 HE1 TYR 45 HE1 TYR 45 -9.672 17.676 -11.402 347 HE2 TYR 45 HE2 TYR 45 -9.666 15.935 -7.507 348 HH TYR 45 HH TYR 45 -11.693 16.827 -9.093 349 H ASP 46 H ASP 46 -4.133 14.448 -7.656 350 HA ASP 46 HA ASP 46 -1.503 13.710 -8.478 351 1HB ASP 46 1HB ASP 46 -3.249 13.020 -6.132 352 2HB ASP 46 2HB ASP 46 -1.743 12.151 -6.400 353 H ASP 47 H ASP 47 -0.720 11.501 -8.687 354 HA ASP 47 HA ASP 47 -2.239 9.985 -10.525 355 1HB ASP 47 1HB ASP 47 0.291 10.049 -10.324 356 2HB ASP 47 2HB ASP 47 0.125 8.975 -8.937 357 H ALA 48 H ALA 48 -3.670 8.388 -10.242 358 HA ALA 48 HA ALA 48 -4.889 7.875 -7.813 359 1HB ALA 48 1HB ALA 48 -5.751 7.405 -10.154 360 2HB ALA 48 2HB ALA 48 -6.145 6.221 -8.909 361 3HB ALA 48 3HB ALA 48 -4.855 5.889 -10.065 362 H THR 49 H THR 49 -4.765 6.309 -6.277 363 HA THR 49 HA THR 49 -2.669 4.274 -6.486 364 HB THR 49 HB THR 49 -2.996 5.889 -3.964 365 HG1 THR 49 HG1 THR 49 -1.438 7.251 -4.636 366 1HG2 THR 49 1HG2 THR 49 -0.765 5.131 -3.455 367 2HG2 THR 49 2HG2 THR 49 -0.669 4.288 -5.002 368 3HG2 THR 49 3HG2 THR 49 -1.814 3.750 -3.774 369 H LYS 50 H LYS 50 -2.949 2.497 -4.970 370 HA LYS 50 HA LYS 50 -5.678 2.334 -3.877 371 1HB LYS 50 1HB LYS 50 -4.243 0.460 -5.695 372 2HB LYS 50 2HB LYS 50 -5.313 -0.226 -4.478 373 1HG LYS 50 1HG LYS 50 -7.145 1.186 -5.345 374 2HG LYS 50 2HG LYS 50 -6.061 1.758 -6.615 375 1HD LYS 50 1HD LYS 50 -6.588 -1.167 -6.194 376 2HD LYS 50 2HD LYS 50 -7.659 -0.167 -7.178 377 1HE LYS 50 1HE LYS 50 -5.493 0.547 -8.391 378 2HE LYS 50 2HE LYS 50 -4.787 -0.884 -7.641 379 1HZ LYS 50 1HZ LYS 50 -5.749 -1.161 -9.944 380 2HZ LYS 50 2HZ LYS 50 -7.277 -1.011 -9.234 381 3HZ LYS 50 3HZ LYS 50 -6.256 -2.282 -8.783 382 H THR 51 H THR 51 -5.749 1.884 -1.803 383 HA THR 51 HA THR 51 -3.390 0.694 -0.514 384 HB THR 51 HB THR 51 -5.575 2.503 0.536 385 HG1 THR 51 HG1 THR 51 -3.922 3.926 0.796 386 1HG2 THR 51 1HG2 THR 51 -4.072 2.492 2.636 387 2HG2 THR 51 2HG2 THR 51 -3.559 0.907 2.059 388 3HG2 THR 51 3HG2 THR 51 -5.259 1.207 2.422 389 H PHE 52 H PHE 52 -3.559 -1.213 0.567 390 HA PHE 52 HA PHE 52 -5.988 -2.733 0.227 391 1HB PHE 52 1HB PHE 52 -3.715 -3.724 -0.080 392 2HB PHE 52 2HB PHE 52 -3.447 -3.545 1.650 393 HD1 PHE 52 HD1 PHE 52 -5.406 -5.308 -0.916 394 HD2 PHE 52 HD2 PHE 52 -4.419 -5.049 3.215 395 HE1 PHE 52 HE1 PHE 52 -6.466 -7.495 -0.530 396 HE2 PHE 52 HE2 PHE 52 -5.475 -7.235 3.610 397 HZ PHE 52 HZ PHE 52 -6.501 -8.461 1.736 398 H THR 53 H THR 53 -7.615 -2.711 1.624 399 HA THR 53 HA THR 53 -7.157 -1.801 4.358 400 HB THR 53 HB THR 53 -9.726 -2.417 2.882 401 HG1 THR 53 HG1 THR 53 -8.559 -0.543 2.180 402 1HG2 THR 53 1HG2 THR 53 -9.210 -1.619 5.680 403 2HG2 THR 53 2HG2 THR 53 -10.524 -2.573 4.990 404 3HG2 THR 53 3HG2 THR 53 -10.534 -0.816 4.835 405 H VAL 54 H VAL 54 -6.849 -3.204 5.965 406 HA VAL 54 HA VAL 54 -7.060 -6.014 5.558 407 HB VAL 54 HB VAL 54 -6.810 -4.688 8.249 408 1HG1 VAL 54 1HG1 VAL 54 -5.268 -6.772 8.493 409 2HG1 VAL 54 2HG1 VAL 54 -6.179 -7.373 7.108 410 3HG1 VAL 54 3HG1 VAL 54 -7.019 -6.958 8.602 411 1HG2 VAL 54 1HG2 VAL 54 -5.088 -3.586 7.198 412 2HG2 VAL 54 2HG2 VAL 54 -4.813 -4.891 6.043 413 3HG2 VAL 54 3HG2 VAL 54 -4.268 -5.060 7.711 414 H THR 55 H THR 55 -8.359 -7.496 6.802 415 HA THR 55 HA THR 55 -10.760 -6.431 8.048 416 HB THR 55 HB THR 55 -10.889 -8.295 5.674 417 HG1 THR 55 HG1 THR 55 -11.968 -6.535 4.705 418 1HG2 THR 55 1HG2 THR 55 -12.631 -8.659 7.461 419 2HG2 THR 55 2HG2 THR 55 -13.229 -8.283 5.845 420 3HG2 THR 55 3HG2 THR 55 -13.211 -7.036 7.090 421 H GLU 56 H GLU 56 -9.859 -9.599 6.727 422 HA GLU 56 HA GLU 56 -10.382 -10.777 9.352 423 1HB GLU 56 1HB GLU 56 -10.400 -11.773 6.557 424 2HB GLU 56 2HB GLU 56 -9.914 -12.920 7.798 425 1HG GLU 56 1HG GLU 56 -11.979 -12.859 8.849 426 2HG GLU 56 2HG GLU 56 -12.421 -11.324 8.103 427 1H MET 1 1H MET 1 -11.386 17.049 1.421 428 2H MET 1 2H MET 1 -10.147 17.895 2.257 429 3H MET 1 3H MET 1 -10.225 16.181 2.337 430 HA MET 1 HA MET 1 -9.647 15.946 0.117 431 1HB MET 1 1HB MET 1 -10.384 18.826 0.074 432 2HB MET 1 2HB MET 1 -9.104 18.317 -1.017 433 1HG MET 1 1HG MET 1 -11.529 16.647 -1.010 434 2HG MET 1 2HG MET 1 -11.712 18.283 -1.643 435 1HE MET 1 1HE MET 1 -9.372 15.080 -1.876 436 2HE MET 1 2HE MET 1 -8.295 16.475 -1.803 437 3HE MET 1 3HE MET 1 -8.407 15.524 -3.284 438 H GLN 2 H GLN 2 -7.562 15.478 -0.096 439 HA GLN 2 HA GLN 2 -5.653 16.776 1.681 440 1HB GLN 2 1HB GLN 2 -5.867 14.242 1.368 441 2HB GLN 2 2HB GLN 2 -5.082 14.482 -0.188 442 1HG GLN 2 1HG GLN 2 -3.066 15.020 0.755 443 2HG GLN 2 2HG GLN 2 -3.797 15.591 2.255 444 1HE2 GLN 2 1HE2 GLN 2 -3.923 12.552 0.423 445 2HE2 GLN 2 2HE2 GLN 2 -3.490 11.535 1.751 446 H TYR 3 H TYR 3 -4.324 18.334 1.028 447 HA TYR 3 HA TYR 3 -3.936 18.684 -1.863 448 1HB TYR 3 1HB TYR 3 -4.130 20.645 0.390 449 2HB TYR 3 2HB TYR 3 -3.258 21.080 -1.076 450 HD1 TYR 3 HD1 TYR 3 -6.511 20.619 0.439 451 HD2 TYR 3 HD2 TYR 3 -4.463 21.090 -3.261 452 HE1 TYR 3 HE1 TYR 3 -8.633 21.207 -0.657 453 HE2 TYR 3 HE2 TYR 3 -6.578 21.681 -4.365 454 HH TYR 3 HH TYR 3 -9.062 21.228 -3.945 455 H LYS 4 H LYS 4 -2.036 18.646 -2.726 456 HA LYS 4 HA LYS 4 0.317 18.295 -0.986 457 1HB LYS 4 1HB LYS 4 -0.074 17.483 -3.874 458 2HB LYS 4 2HB LYS 4 1.375 17.194 -2.922 459 1HG LYS 4 1HG LYS 4 -1.132 16.178 -1.762 460 2HG LYS 4 2HG LYS 4 -0.598 15.397 -3.251 461 1HD LYS 4 1HD LYS 4 1.317 15.844 -0.992 462 2HD LYS 4 2HD LYS 4 0.219 14.463 -0.978 463 1HE LYS 4 1HE LYS 4 1.118 14.024 -3.361 464 2HE LYS 4 2HE LYS 4 2.437 15.095 -2.890 465 1HZ LYS 4 1HZ LYS 4 2.804 13.617 -0.953 466 2HZ LYS 4 2HZ LYS 4 3.077 12.858 -2.440 467 3HZ LYS 4 3HZ LYS 4 1.652 12.548 -1.582 468 H VAL 5 H VAL 5 1.834 19.818 -0.934 469 HA VAL 5 HA VAL 5 2.210 21.575 -3.245 470 HB VAL 5 HB VAL 5 1.944 22.683 -0.450 471 1HG1 VAL 5 1HG1 VAL 5 3.405 23.914 -2.030 472 2HG1 VAL 5 2HG1 VAL 5 1.993 24.839 -1.518 473 3HG1 VAL 5 3HG1 VAL 5 2.027 24.090 -3.115 474 1HG2 VAL 5 1HG2 VAL 5 -0.065 22.451 -2.665 475 2HG2 VAL 5 2HG2 VAL 5 -0.172 23.733 -1.459 476 3HG2 VAL 5 3HG2 VAL 5 -0.244 22.044 -0.959 477 H ILE 6 H ILE 6 4.309 21.626 -3.734 478 HA ILE 6 HA ILE 6 6.262 20.827 -1.714 479 HB ILE 6 HB ILE 6 6.748 21.320 -4.648 480 1HG1 ILE 6 1HG1 ILE 6 6.207 18.661 -3.316 481 2HG1 ILE 6 2HG1 ILE 6 4.987 19.572 -4.201 482 1HG2 ILE 6 1HG2 ILE 6 8.658 19.743 -4.204 483 2HG2 ILE 6 2HG2 ILE 6 8.302 19.923 -2.486 484 3HG2 ILE 6 3HG2 ILE 6 8.784 21.326 -3.438 485 1HD1 ILE 6 1HD1 ILE 6 5.998 17.781 -5.537 486 2HD1 ILE 6 2HD1 ILE 6 7.569 18.563 -5.367 487 3HD1 ILE 6 3HD1 ILE 6 6.269 19.379 -6.236 488 H LEU 7 H LEU 7 7.284 22.339 -0.592 489 HA LEU 7 HA LEU 7 7.659 25.004 -1.786 490 1HB LEU 7 1HB LEU 7 7.223 24.034 0.979 491 2HB LEU 7 2HB LEU 7 8.358 25.358 0.803 492 HG LEU 7 HG LEU 7 6.251 26.247 -0.700 493 1HD1 LEU 7 1HD1 LEU 7 4.370 25.885 1.121 494 2HD1 LEU 7 2HD1 LEU 7 5.237 24.367 1.359 495 3HD1 LEU 7 3HD1 LEU 7 4.584 24.772 -0.230 496 1HD2 LEU 7 1HD2 LEU 7 6.745 26.672 2.246 497 2HD2 LEU 7 2HD2 LEU 7 5.756 27.711 1.219 498 3HD2 LEU 7 3HD2 LEU 7 7.489 27.565 0.920 499 H ASN 8 H ASN 8 9.653 25.566 -2.433 500 HA ASN 8 HA ASN 8 11.991 24.594 -1.041 501 1HB ASN 8 1HB ASN 8 11.215 23.625 -3.751 502 2HB ASN 8 2HB ASN 8 12.919 23.936 -3.439 503 1HD2 ASN 8 1HD2 ASN 8 11.672 21.421 -4.001 504 2HD2 ASN 8 2HD2 ASN 8 11.955 20.400 -2.637 505 H GLY 9 H GLY 9 11.401 25.846 -4.306 506 1HA GLY 9 1HA GLY 9 11.630 28.357 -4.521 507 2HA GLY 9 2HA GLY 9 13.129 28.145 -3.631 508 H LYS 10 H LYS 10 13.780 25.638 -5.012 509 HA LYS 10 HA LYS 10 14.966 24.928 -6.817 510 1HB LYS 10 1HB LYS 10 12.876 26.663 -8.032 511 2HB LYS 10 2HB LYS 10 14.229 26.188 -9.051 512 1HG LYS 10 1HG LYS 10 12.766 24.109 -7.493 513 2HG LYS 10 2HG LYS 10 12.064 24.747 -8.981 514 1HD LYS 10 1HD LYS 10 13.628 23.763 -10.298 515 2HD LYS 10 2HD LYS 10 14.909 23.950 -9.099 516 1HE LYS 10 1HE LYS 10 13.835 22.131 -7.775 517 2HE LYS 10 2HE LYS 10 12.708 21.889 -9.108 518 1HZ LYS 10 1HZ LYS 10 14.369 21.085 -10.475 519 2HZ LYS 10 2HZ LYS 10 14.806 20.438 -8.976 520 3HZ LYS 10 3HZ LYS 10 15.617 21.793 -9.578 521 H THR 11 H THR 11 17.043 25.384 -7.021 522 HA THR 11 HA THR 11 17.854 28.053 -7.900 523 HB THR 11 HB THR 11 19.324 26.706 -5.647 524 HG1 THR 11 HG1 THR 11 17.176 28.544 -5.457 525 1HG2 THR 11 1HG2 THR 11 20.638 28.413 -6.546 526 2HG2 THR 11 2HG2 THR 11 19.868 29.131 -5.132 527 3HG2 THR 11 3HG2 THR 11 19.257 29.491 -6.748 528 H LEU 12 H LEU 12 19.753 28.109 -9.086 529 HA LEU 12 HA LEU 12 21.531 25.903 -9.299 530 1HB LEU 12 1HB LEU 12 19.499 25.087 -10.551 531 2HB LEU 12 2HB LEU 12 19.779 26.376 -11.704 532 HG LEU 12 HG LEU 12 21.982 24.439 -11.125 533 1HD1 LEU 12 1HD1 LEU 12 19.911 23.117 -11.549 534 2HD1 LEU 12 2HD1 LEU 12 21.174 22.895 -12.760 535 3HD1 LEU 12 3HD1 LEU 12 19.782 23.917 -13.115 536 1HD2 LEU 12 1HD2 LEU 12 22.592 26.273 -12.494 537 2HD2 LEU 12 2HD2 LEU 12 21.131 26.121 -13.471 538 3HD2 LEU 12 3HD2 LEU 12 22.390 24.891 -13.572 539 H LYS 13 H LYS 13 20.193 28.736 -10.926 540 HA LYS 13 HA LYS 13 22.703 30.065 -10.971 541 1HB LYS 13 1HB LYS 13 23.010 28.430 -12.839 542 2HB LYS 13 2HB LYS 13 21.647 29.176 -13.661 543 1HG LYS 13 1HG LYS 13 22.864 31.296 -13.748 544 2HG LYS 13 2HG LYS 13 24.233 30.538 -12.933 545 1HD LYS 13 1HD LYS 13 24.646 29.100 -14.773 546 2HD LYS 13 2HD LYS 13 23.108 29.515 -15.531 547 1HE LYS 13 1HE LYS 13 25.503 31.308 -15.175 548 2HE LYS 13 2HE LYS 13 24.882 30.653 -16.689 549 1HZ LYS 13 1HZ LYS 13 24.060 32.803 -16.635 550 2HZ LYS 13 2HZ LYS 13 23.725 32.760 -14.977 551 3HZ LYS 13 3HZ LYS 13 22.751 31.898 -16.059 552 H GLY 14 H GLY 14 20.652 31.092 -9.838 553 1HA GLY 14 1HA GLY 14 19.794 33.230 -11.642 554 2HA GLY 14 2HA GLY 14 18.540 32.305 -10.832 555 H GLU 15 H GLU 15 20.131 35.117 -10.696 556 HA GLU 15 HA GLU 15 20.853 35.364 -7.973 557 1HB GLU 15 1HB GLU 15 20.658 37.840 -8.432 558 2HB GLU 15 2HB GLU 15 21.740 36.956 -9.501 559 1HG GLU 15 1HG GLU 15 20.483 37.350 -11.319 560 2HG GLU 15 2HG GLU 15 18.964 37.195 -10.436 561 H THR 16 H THR 16 19.742 36.116 -6.207 562 HA THR 16 HA THR 16 16.977 35.600 -6.076 563 HB THR 16 HB THR 16 18.252 35.382 -4.079 564 HG1 THR 16 HG1 THR 16 17.050 36.621 -2.684 565 1HG2 THR 16 1HG2 THR 16 19.282 38.058 -4.762 566 2HG2 THR 16 2HG2 THR 16 20.087 36.684 -4.005 567 3HG2 THR 16 3HG2 THR 16 19.023 37.718 -3.051 568 H THR 17 H THR 17 15.216 36.865 -6.292 569 HA THR 17 HA THR 17 15.565 39.763 -6.514 570 HB THR 17 HB THR 17 13.802 38.363 -8.492 571 HG1 THR 17 HG1 THR 17 15.523 37.472 -9.291 572 1HG2 THR 17 1HG2 THR 17 14.175 40.270 -9.863 573 2HG2 THR 17 2HG2 THR 17 15.418 40.881 -8.771 574 3HG2 THR 17 3HG2 THR 17 13.732 40.836 -8.253 575 H THR 18 H THR 18 13.104 37.184 -6.699 576 HA THR 18 HA THR 18 11.676 38.273 -4.462 577 HB THR 18 HB THR 18 10.886 39.799 -6.188 578 HG1 THR 18 HG1 THR 18 9.386 38.979 -4.613 579 1HG2 THR 18 1HG2 THR 18 10.827 37.454 -7.834 580 2HG2 THR 18 2HG2 THR 18 10.674 39.151 -8.287 581 3HG2 THR 18 3HG2 THR 18 9.246 38.233 -7.808 582 H GLU 19 H GLU 19 12.811 35.815 -4.788 583 HA GLU 19 HA GLU 19 10.450 34.078 -4.809 584 1HB GLU 19 1HB GLU 19 13.040 33.578 -6.274 585 2HB GLU 19 2HB GLU 19 11.900 32.295 -5.893 586 1HG GLU 19 1HG GLU 19 10.443 32.928 -7.484 587 2HG GLU 19 2HG GLU 19 10.769 34.645 -7.256 588 H ALA 20 H ALA 20 10.303 33.248 -2.831 589 HA ALA 20 HA ALA 20 12.641 32.025 -1.615 590 1HB ALA 20 1HB ALA 20 12.493 34.469 -0.886 591 2HB ALA 20 2HB ALA 20 12.636 33.250 0.380 592 3HB ALA 20 3HB ALA 20 11.069 33.980 0.031 593 H VAL 21 H VAL 21 11.408 30.104 -2.041 594 HA VAL 21 HA VAL 21 8.942 29.780 -0.500 595 HB VAL 21 HB VAL 21 10.232 27.738 -2.311 596 1HG1 VAL 21 1HG1 VAL 21 8.663 26.691 -0.901 597 2HG1 VAL 21 2HG1 VAL 21 7.815 26.957 -2.425 598 3HG1 VAL 21 3HG1 VAL 21 7.519 28.023 -1.051 599 1HG2 VAL 21 1HG2 VAL 21 8.507 28.497 -3.979 600 2HG2 VAL 21 2HG2 VAL 21 9.825 29.633 -3.692 601 3HG2 VAL 21 3HG2 VAL 21 8.246 29.909 -2.957 602 H ASP 22 H ASP 22 9.720 29.709 1.592 603 HA ASP 22 HA ASP 22 11.639 27.599 2.279 604 1HB ASP 22 1HB ASP 22 12.021 29.958 3.040 605 2HB ASP 22 2HB ASP 22 10.562 29.822 4.020 606 H ALA 23 H ALA 23 11.180 25.930 3.548 607 HA ALA 23 HA ALA 23 8.692 24.823 3.739 608 1HB ALA 23 1HB ALA 23 11.255 24.199 4.600 609 2HB ALA 23 2HB ALA 23 9.834 23.154 4.667 610 3HB ALA 23 3HB ALA 23 10.269 24.141 6.063 611 H ALA 24 H ALA 24 10.257 26.970 6.077 612 HA ALA 24 HA ALA 24 8.230 26.834 8.052 613 1HB ALA 24 1HB ALA 24 9.309 28.904 8.939 614 2HB ALA 24 2HB ALA 24 10.372 28.886 7.532 615 3HB ALA 24 3HB ALA 24 10.417 27.554 8.687 616 H THR 25 H THR 25 8.614 28.692 5.139 617 HA THR 25 HA THR 25 6.871 30.822 5.683 618 HB THR 25 HB THR 25 7.632 29.465 3.091 619 HG1 THR 25 HG1 THR 25 9.040 30.933 4.615 620 1HG2 THR 25 1HG2 THR 25 5.761 31.686 3.539 621 2HG2 THR 25 2HG2 THR 25 5.884 30.542 2.199 622 3HG2 THR 25 3HG2 THR 25 6.983 31.922 2.288 623 H PHE 26 H PHE 26 6.306 27.569 4.503 624 HA PHE 26 HA PHE 26 3.535 27.937 3.923 625 1HB PHE 26 1HB PHE 26 4.993 26.074 3.010 626 2HB PHE 26 2HB PHE 26 4.865 25.310 4.592 627 HD1 PHE 26 HD1 PHE 26 2.621 26.839 2.030 628 HD2 PHE 26 HD2 PHE 26 3.247 23.702 4.837 629 HE1 PHE 26 HE1 PHE 26 0.484 25.819 1.361 630 HE2 PHE 26 HE2 PHE 26 1.112 22.675 4.170 631 HZ PHE 26 HZ PHE 26 -0.273 23.733 2.430 632 H GLU 27 H GLU 27 5.282 26.481 6.649 633 HA GLU 27 HA GLU 27 3.137 25.692 8.200 634 1HB GLU 27 1HB GLU 27 5.709 26.853 9.272 635 2HB GLU 27 2HB GLU 27 4.637 25.722 10.086 636 1HG GLU 27 1HG GLU 27 5.145 24.199 8.036 637 2HG GLU 27 2HG GLU 27 6.551 25.246 7.853 638 H LYS 28 H LYS 28 4.840 28.825 8.373 639 HA LYS 28 HA LYS 28 3.168 29.913 10.359 640 1HB LYS 28 1HB LYS 28 5.428 30.754 9.813 641 2HB LYS 28 2HB LYS 28 4.810 31.378 8.290 642 1HG LYS 28 1HG LYS 28 3.246 32.814 9.585 643 2HG LYS 28 2HG LYS 28 4.045 32.268 11.060 644 1HD LYS 28 1HD LYS 28 5.718 33.375 8.859 645 2HD LYS 28 2HD LYS 28 4.775 34.494 9.845 646 1HE LYS 28 1HE LYS 28 5.814 33.533 11.868 647 2HE LYS 28 2HE LYS 28 6.800 32.493 10.842 648 1HZ LYS 28 1HZ LYS 28 7.537 34.693 9.775 649 2HZ LYS 28 2HZ LYS 28 8.179 34.278 11.284 650 3HZ LYS 28 3HZ LYS 28 6.934 35.419 11.180 651 H VAL 29 H VAL 29 3.131 30.380 6.810 652 HA VAL 29 HA VAL 29 0.966 32.167 6.773 653 HB VAL 29 HB VAL 29 1.852 30.248 4.615 654 1HG1 VAL 29 1HG1 VAL 29 0.729 31.788 3.071 655 2HG1 VAL 29 2HG1 VAL 29 0.144 32.730 4.442 656 3HG1 VAL 29 3HG1 VAL 29 -0.408 31.069 4.213 657 1HG2 VAL 29 1HG2 VAL 29 3.324 32.250 5.713 658 2HG2 VAL 29 2HG2 VAL 29 2.504 33.102 4.404 659 3HG2 VAL 29 3HG2 VAL 29 3.488 31.681 4.052 660 H VAL 30 H VAL 30 1.069 28.633 6.562 661 HA VAL 30 HA VAL 30 -1.705 28.346 6.009 662 HB VAL 30 HB VAL 30 0.216 26.303 7.137 663 1HG1 VAL 30 1HG1 VAL 30 -1.424 24.667 6.194 664 2HG1 VAL 30 2HG1 VAL 30 -2.535 26.012 5.939 665 3HG1 VAL 30 3HG1 VAL 30 -2.027 25.587 7.573 666 1HG2 VAL 30 1HG2 VAL 30 0.555 27.460 4.793 667 2HG2 VAL 30 2HG2 VAL 30 -0.703 26.324 4.306 668 3HG2 VAL 30 3HG2 VAL 30 0.804 25.727 5.000 669 H LYS 31 H LYS 31 0.183 28.081 9.044 670 HA LYS 31 HA LYS 31 -2.001 27.351 10.659 671 1HB LYS 31 1HB LYS 31 0.380 27.128 11.320 672 2HB LYS 31 2HB LYS 31 0.496 28.879 11.422 673 1HG LYS 31 1HG LYS 31 -1.227 28.853 13.193 674 2HG LYS 31 2HG LYS 31 -1.219 27.090 13.130 675 1HD LYS 31 1HD LYS 31 1.117 27.044 13.775 676 2HD LYS 31 2HD LYS 31 1.186 28.807 13.741 677 1HE LYS 31 1HE LYS 31 -0.785 28.605 15.457 678 2HE LYS 31 2HE LYS 31 -0.125 26.991 15.712 679 1HZ LYS 31 1HZ LYS 31 1.942 27.898 16.375 680 2HZ LYS 31 2HZ LYS 31 0.754 28.752 17.224 681 3HZ LYS 31 3HZ LYS 31 1.509 29.459 15.886 682 H GLN 32 H GLN 32 -0.564 30.493 9.877 683 HA GLN 32 HA GLN 32 -2.247 32.049 11.509 684 1HB GLN 32 1HB GLN 32 -0.094 32.801 10.455 685 2HB GLN 32 2HB GLN 32 -0.946 32.910 8.921 686 1HG GLN 32 1HG GLN 32 -2.330 34.657 9.707 687 2HG GLN 32 2HG GLN 32 -1.809 34.412 11.373 688 1HE2 GLN 32 1HE2 GLN 32 0.756 34.456 11.454 689 2HE2 GLN 32 2HE2 GLN 32 1.444 35.874 10.745 690 H PHE 33 H PHE 33 -2.500 31.154 8.051 691 HA PHE 33 HA PHE 33 -4.889 32.587 7.613 692 1HB PHE 33 1HB PHE 33 -3.704 32.198 5.685 693 2HB PHE 33 2HB PHE 33 -3.283 30.555 6.139 694 HD1 PHE 33 HD1 PHE 33 -6.479 32.423 5.500 695 HD2 PHE 33 HD2 PHE 33 -4.073 28.999 4.730 696 HE1 PHE 33 HE1 PHE 33 -8.205 31.554 3.968 697 HE2 PHE 33 HE2 PHE 33 -5.793 28.121 3.210 698 HZ PHE 33 HZ PHE 33 -7.861 29.390 2.827 699 H PHE 34 H PHE 34 -4.291 29.147 8.334 700 HA PHE 34 HA PHE 34 -7.079 28.540 8.242 701 1HB PHE 34 1HB PHE 34 -4.632 26.980 8.922 702 2HB PHE 34 2HB PHE 34 -6.217 26.340 9.367 703 HD1 PHE 34 HD1 PHE 34 -4.156 27.496 6.518 704 HD2 PHE 34 HD2 PHE 34 -7.672 25.445 7.757 705 HE1 PHE 34 HE1 PHE 34 -4.546 26.766 4.199 706 HE2 PHE 34 HE2 PHE 34 -8.064 24.706 5.445 707 HZ PHE 34 HZ PHE 34 -6.509 25.377 3.659 708 H ASN 35 H ASN 35 -4.882 29.432 10.841 709 HA ASN 35 HA ASN 35 -6.437 28.620 13.017 710 1HB ASN 35 1HB ASN 35 -4.458 30.840 12.634 711 2HB ASN 35 2HB ASN 35 -5.390 30.757 14.126 712 1HD2 ASN 35 1HD2 ASN 35 -4.462 27.859 12.414 713 2HD2 ASN 35 2HD2 ASN 35 -3.280 27.336 13.558 714 H ASP 36 H ASP 36 -6.811 31.305 10.840 715 HA ASP 36 HA ASP 36 -8.599 32.882 12.318 716 1HB ASP 36 1HB ASP 36 -8.404 32.578 9.315 717 2HB ASP 36 2HB ASP 36 -9.200 33.898 10.168 718 H ASN 37 H ASN 37 -9.073 29.848 10.817 719 HA ASN 37 HA ASN 37 -11.991 30.225 10.839 720 1HB ASN 37 1HB ASN 37 -12.172 28.303 9.380 721 2HB ASN 37 2HB ASN 37 -11.021 29.451 8.704 722 1HD2 ASN 37 1HD2 ASN 37 -9.344 28.512 7.838 723 2HD2 ASN 37 2HD2 ASN 37 -8.581 27.063 8.385 724 H GLY 38 H GLY 38 -9.435 28.556 12.467 725 1HA GLY 38 1HA GLY 38 -10.295 27.862 14.749 726 2HA GLY 38 2HA GLY 38 -11.455 26.902 13.851 727 H VAL 39 H VAL 39 -8.329 27.004 12.435 728 HA VAL 39 HA VAL 39 -7.931 24.215 13.178 729 HB VAL 39 HB VAL 39 -6.248 25.895 11.315 730 1HG1 VAL 39 1HG1 VAL 39 -5.896 23.446 10.408 731 2HG1 VAL 39 2HG1 VAL 39 -6.314 23.015 12.067 732 3HG1 VAL 39 3HG1 VAL 39 -4.935 24.068 11.750 733 1HG2 VAL 39 1HG2 VAL 39 -8.084 25.907 10.023 734 2HG2 VAL 39 2HG2 VAL 39 -8.867 24.627 10.951 735 3HG2 VAL 39 3HG2 VAL 39 -7.676 24.220 9.714 736 H ASP 40 H ASP 40 -6.166 23.424 14.304 737 HA ASP 40 HA ASP 40 -4.071 25.210 15.181 738 1HB ASP 40 1HB ASP 40 -6.186 24.176 17.049 739 2HB ASP 40 2HB ASP 40 -4.561 24.521 17.633 740 H GLY 41 H GLY 41 -2.785 23.879 17.030 741 1HA GLY 41 1HA GLY 41 -2.193 21.563 17.652 742 2HA GLY 41 2HA GLY 41 -2.478 21.134 15.972 743 H GLU 42 H GLU 42 -0.436 20.349 15.545 744 HA GLU 42 HA GLU 42 1.604 22.385 15.163 745 1HB GLU 42 1HB GLU 42 2.041 19.932 16.870 746 2HB GLU 42 2HB GLU 42 3.345 20.926 16.234 747 1HG GLU 42 1HG GLU 42 1.987 22.850 17.415 748 2HG GLU 42 2HG GLU 42 1.387 21.506 18.387 749 H TRP 43 H TRP 43 3.331 21.700 13.756 750 HA TRP 43 HA TRP 43 2.397 20.012 11.652 751 1HB TRP 43 1HB TRP 43 4.962 21.512 12.132 752 2HB TRP 43 2HB TRP 43 4.763 20.447 10.743 753 HD1 TRP 43 HD1 TRP 43 3.914 23.889 11.984 754 HE1 TRP 43 HE1 TRP 43 2.599 25.163 10.176 755 HE3 TRP 43 HE3 TRP 43 2.964 20.011 8.792 756 HZ2 TRP 43 HZ2 TRP 43 1.326 24.597 7.721 757 HZ3 TRP 43 HZ3 TRP 43 1.690 20.462 6.736 758 HH2 TRP 43 HH2 TRP 43 0.888 22.708 6.213 759 H THR 44 H THR 44 2.487 17.906 11.599 760 HA THR 44 HA THR 44 4.611 16.537 13.103 761 HB THR 44 HB THR 44 3.115 14.584 13.146 762 HG1 THR 44 HG1 THR 44 1.855 14.786 11.383 763 1HG2 THR 44 1HG2 THR 44 1.650 15.280 14.792 764 2HG2 THR 44 2HG2 THR 44 1.428 16.871 14.065 765 3HG2 THR 44 3HG2 THR 44 2.944 16.476 14.878 766 H TYR 45 H TYR 45 5.878 15.069 12.112 767 HA TYR 45 HA TYR 45 6.172 15.241 9.286 768 1HB TYR 45 1HB TYR 45 7.513 13.643 11.444 769 2HB TYR 45 2HB TYR 45 7.834 13.289 9.749 770 HD1 TYR 45 HD1 TYR 45 8.491 15.520 12.514 771 HD2 TYR 45 HD2 TYR 45 8.837 15.063 8.298 772 HE1 TYR 45 HE1 TYR 45 10.157 17.327 12.460 773 HE2 TYR 45 HE2 TYR 45 10.505 16.869 8.233 774 HH TYR 45 HH TYR 45 12.232 17.848 10.129 775 H ASP 46 H ASP 46 5.725 13.752 7.692 776 HA ASP 46 HA ASP 46 3.501 12.025 8.145 777 1HB ASP 46 1HB ASP 46 5.261 12.619 5.783 778 2HB ASP 46 2HB ASP 46 4.115 11.284 5.720 779 H ASP 47 H ASP 47 3.456 9.720 7.675 780 HA ASP 47 HA ASP 47 5.457 8.294 9.068 781 1HB ASP 47 1HB ASP 47 3.024 7.623 8.769 782 2HB ASP 47 2HB ASP 47 3.460 7.090 7.148 783 H ALA 48 H ALA 48 7.299 7.372 8.405 784 HA ALA 48 HA ALA 48 8.500 7.988 5.990 785 1HB ALA 48 1HB ALA 48 9.578 7.159 8.133 786 2HB ALA 48 2HB ALA 48 10.261 6.564 6.620 787 3HB ALA 48 3HB ALA 48 9.194 5.532 7.573 788 H THR 49 H THR 49 8.796 6.974 4.064 789 HA THR 49 HA THR 49 7.452 4.417 3.583 790 HB THR 49 HB THR 49 7.140 6.702 1.647 791 HG1 THR 49 HG1 THR 49 5.259 7.250 2.604 792 1HG2 THR 49 1HG2 THR 49 5.236 5.465 0.839 793 2HG2 THR 49 2HG2 THR 49 5.478 4.234 2.078 794 3HG2 THR 49 3HG2 THR 49 6.676 4.448 0.802 795 H LYS 50 H LYS 50 8.202 3.328 1.639 796 HA LYS 50 HA LYS 50 10.793 4.343 0.674 797 1HB LYS 50 1HB LYS 50 10.098 1.677 1.807 798 2HB LYS 50 2HB LYS 50 11.272 1.739 0.499 799 1HG LYS 50 1HG LYS 50 12.608 3.340 1.824 800 2HG LYS 50 2HG LYS 50 11.459 3.150 3.151 801 1HD LYS 50 1HD LYS 50 12.856 0.791 1.926 802 2HD LYS 50 2HD LYS 50 13.604 1.746 3.209 803 1HE LYS 50 1HE LYS 50 11.377 1.362 4.465 804 2HE LYS 50 2HE LYS 50 11.130 0.059 3.304 805 1HZ LYS 50 1HZ LYS 50 12.235 -0.545 5.478 806 2HZ LYS 50 2HZ LYS 50 13.603 0.275 4.915 807 3HZ LYS 50 3HZ LYS 50 13.016 -1.069 4.072 808 H THR 51 H THR 51 10.901 4.554 -1.437 809 HA THR 51 HA THR 51 8.971 3.107 -3.120 810 HB THR 51 HB THR 51 10.429 5.728 -3.507 811 HG1 THR 51 HG1 THR 51 8.404 6.574 -3.423 812 1HG2 THR 51 1HG2 THR 51 8.901 5.847 -5.588 813 2HG2 THR 51 2HG2 THR 51 8.949 4.085 -5.514 814 3HG2 THR 51 3HG2 THR 51 10.445 5.001 -5.697 815 H PHE 52 H PHE 52 9.676 1.741 -4.694 816 HA PHE 52 HA PHE 52 12.471 1.027 -4.690 817 1HB PHE 52 1HB PHE 52 10.639 -0.670 -4.784 818 2HB PHE 52 2HB PHE 52 10.246 -0.096 -6.402 819 HD1 PHE 52 HD1 PHE 52 12.773 -1.820 -4.359 820 HD2 PHE 52 HD2 PHE 52 11.566 -0.705 -8.285 821 HE1 PHE 52 HE1 PHE 52 14.442 -3.361 -5.306 822 HE2 PHE 52 HE2 PHE 52 13.232 -2.245 -9.239 823 HZ PHE 52 HZ PHE 52 14.673 -3.575 -7.749 824 H THR 53 H THR 53 13.941 1.956 -5.945 825 HA THR 53 HA THR 53 13.094 3.419 -8.323 826 HB THR 53 HB THR 53 15.793 3.237 -6.966 827 HG1 THR 53 HG1 THR 53 14.126 4.375 -5.819 828 1HG2 THR 53 1HG2 THR 53 14.925 4.604 -9.439 829 2HG2 THR 53 2HG2 THR 53 16.497 3.941 -8.997 830 3HG2 THR 53 3HG2 THR 53 15.979 5.494 -8.341 831 H VAL 54 H VAL 54 13.161 2.510 -10.277 832 HA VAL 54 HA VAL 54 14.258 -0.086 -10.682 833 HB VAL 54 HB VAL 54 13.473 1.805 -12.889 834 1HG1 VAL 54 1HG1 VAL 54 12.652 -0.495 -13.789 835 2HG1 VAL 54 2HG1 VAL 54 13.771 -1.151 -12.594 836 3HG1 VAL 54 3HG1 VAL 54 14.365 -0.084 -13.866 837 1HG2 VAL 54 1HG2 VAL 54 11.546 1.962 -11.647 838 2HG2 VAL 54 2HG2 VAL 54 11.754 0.368 -10.921 839 3HG2 VAL 54 3HG2 VAL 54 11.207 0.511 -12.592 840 H THR 55 H THR 55 15.890 -0.665 -12.243 841 HA THR 55 HA THR 55 17.776 1.406 -13.020 842 HB THR 55 HB THR 55 18.592 -0.921 -11.274 843 HG1 THR 55 HG1 THR 55 19.114 0.730 -9.794 844 1HG2 THR 55 1HG2 THR 55 20.276 -0.206 -13.008 845 2HG2 THR 55 2HG2 THR 55 20.803 -0.129 -11.327 846 3HG2 THR 55 3HG2 THR 55 20.337 1.346 -12.173 847 H GLU 56 H GLU 56 17.976 -2.123 -12.704 848 HA GLU 56 HA GLU 56 18.715 -2.278 -15.528 849 1HB GLU 56 1HB GLU 56 19.172 -3.972 -13.136 850 2HB GLU 56 2HB GLU 56 19.006 -4.812 -14.673 851 1HG GLU 56 1HG GLU 56 20.899 -3.815 -15.569 852 2HG GLU 56 2HG GLU 56 20.881 -2.499 -14.395 853 1H MET 1 1H MET 1 6.030 -0.479 9.094 854 2H MET 1 2H MET 1 5.033 -1.234 7.919 855 3H MET 1 3H MET 1 4.577 0.278 8.590 856 HA MET 1 HA MET 1 6.312 1.384 7.548 857 1HB MET 1 1HB MET 1 7.309 -1.399 7.223 858 2HB MET 1 2HB MET 1 7.710 -0.255 5.948 859 1HG MET 1 1HG MET 1 8.174 0.669 8.707 860 2HG MET 1 2HG MET 1 9.207 -0.644 8.141 861 1HE MET 1 1HE MET 1 7.796 2.915 7.055 862 2HE MET 1 2HE MET 1 7.678 1.871 5.638 863 3HE MET 1 3HE MET 1 8.820 3.213 5.651 864 H GLN 2 H GLN 2 5.636 2.382 5.773 865 HA GLN 2 HA GLN 2 3.659 1.059 4.093 866 1HB GLN 2 1HB GLN 2 3.410 3.418 5.058 867 2HB GLN 2 2HB GLN 2 4.588 3.916 3.851 868 1HG GLN 2 1HG GLN 2 3.144 3.595 2.105 869 2HG GLN 2 2HG GLN 2 2.192 2.390 2.971 870 1HE2 GLN 2 1HE2 GLN 2 3.155 5.746 3.618 871 2HE2 GLN 2 2HE2 GLN 2 1.556 6.323 3.932 872 H TYR 3 H TYR 3 4.141 0.182 2.190 873 HA TYR 3 HA TYR 3 6.691 0.934 0.940 874 1HB TYR 3 1HB TYR 3 5.201 -1.658 1.061 875 2HB TYR 3 2HB TYR 3 6.311 -1.347 -0.271 876 HD1 TYR 3 HD1 TYR 3 6.011 -2.219 3.229 877 HD2 TYR 3 HD2 TYR 3 8.717 -0.911 0.217 878 HE1 TYR 3 HE1 TYR 3 7.907 -2.893 4.646 879 HE2 TYR 3 HE2 TYR 3 10.618 -1.583 1.623 880 HH TYR 3 HH TYR 3 11.027 -1.904 4.134 881 H LYS 4 H LYS 4 6.772 1.718 -0.994 882 HA LYS 4 HA LYS 4 4.271 2.014 -2.523 883 1HB LYS 4 1HB LYS 4 6.821 3.636 -2.670 884 2HB LYS 4 2HB LYS 4 5.378 3.923 -3.633 885 1HG LYS 4 1HG LYS 4 4.971 3.859 -0.719 886 2HG LYS 4 2HG LYS 4 5.937 5.202 -1.334 887 1HD LYS 4 1HD LYS 4 3.329 4.485 -2.621 888 2HD LYS 4 2HD LYS 4 3.366 5.472 -1.158 889 1HE LYS 4 1HE LYS 4 5.093 6.898 -2.450 890 2HE LYS 4 2HE LYS 4 4.462 6.082 -3.879 891 1HZ LYS 4 1HZ LYS 4 2.223 6.854 -3.202 892 2HZ LYS 4 2HZ LYS 4 3.283 8.115 -3.585 893 3HZ LYS 4 3HZ LYS 4 2.938 7.763 -1.967 894 H VAL 5 H VAL 5 4.042 0.976 -4.393 895 HA VAL 5 HA VAL 5 6.412 0.251 -5.953 896 HB VAL 5 HB VAL 5 4.256 -1.769 -5.334 897 1HG1 VAL 5 1HG1 VAL 5 5.454 -1.995 -7.496 898 2HG1 VAL 5 2HG1 VAL 5 5.713 -3.354 -6.402 899 3HG1 VAL 5 3HG1 VAL 5 6.967 -2.131 -6.600 900 1HG2 VAL 5 1HG2 VAL 5 6.919 -1.286 -4.041 901 2HG2 VAL 5 2HG2 VAL 5 6.186 -2.890 -4.058 902 3HG2 VAL 5 3HG2 VAL 5 5.348 -1.546 -3.282 903 H ILE 6 H ILE 6 6.108 0.871 -7.994 904 HA ILE 6 HA ILE 6 3.392 1.386 -8.937 905 HB ILE 6 HB ILE 6 5.979 2.044 -10.338 906 1HG1 ILE 6 1HG1 ILE 6 4.338 3.883 -8.589 907 2HG1 ILE 6 2HG1 ILE 6 5.795 3.062 -8.038 908 1HG2 ILE 6 1HG2 ILE 6 4.499 3.798 -11.390 909 2HG2 ILE 6 2HG2 ILE 6 3.130 2.938 -10.684 910 3HG2 ILE 6 3HG2 ILE 6 4.172 2.129 -11.855 911 1HD1 ILE 6 1HD1 ILE 6 6.201 5.387 -8.708 912 2HD1 ILE 6 2HD1 ILE 6 5.670 4.992 -10.343 913 3HD1 ILE 6 3HD1 ILE 6 7.117 4.234 -9.678 914 H LEU 7 H LEU 7 2.372 -0.125 -10.064 915 HA LEU 7 HA LEU 7 3.952 -2.056 -11.626 916 1HB LEU 7 1HB LEU 7 1.387 -2.215 -10.155 917 2HB LEU 7 2HB LEU 7 1.451 -3.087 -11.674 918 HG LEU 7 HG LEU 7 3.782 -3.892 -10.486 919 1HD1 LEU 7 1HD1 LEU 7 2.732 -4.634 -8.174 920 2HD1 LEU 7 2HD1 LEU 7 1.844 -3.123 -8.377 921 3HD1 LEU 7 3HD1 LEU 7 3.607 -3.113 -8.356 922 1HD2 LEU 7 1HD2 LEU 7 1.050 -5.157 -10.283 923 2HD2 LEU 7 2HD2 LEU 7 2.580 -5.993 -10.013 924 3HD2 LEU 7 3HD2 LEU 7 2.197 -5.345 -11.609 925 H ASN 8 H ASN 8 3.947 -1.877 -13.783 926 HA ASN 8 HA ASN 8 1.618 -0.906 -15.188 927 1HB ASN 8 1HB ASN 8 4.113 0.703 -14.906 928 2HB ASN 8 2HB ASN 8 3.286 0.720 -16.460 929 1HD2 ASN 8 1HD2 ASN 8 3.652 2.903 -14.635 930 2HD2 ASN 8 2HD2 ASN 8 2.078 3.445 -14.176 931 H GLY 9 H GLY 9 5.093 -1.213 -15.848 932 1HA GLY 9 1HA GLY 9 6.245 -2.577 -17.299 933 2HA GLY 9 2HA GLY 9 4.828 -3.615 -17.342 934 H LYS 10 H LYS 10 4.308 -3.957 -19.397 935 HA LYS 10 HA LYS 10 3.751 -3.597 -21.572 936 1HB LYS 10 1HB LYS 10 3.026 -1.029 -20.247 937 2HB LYS 10 2HB LYS 10 3.039 -1.071 -22.004 938 1HG LYS 10 1HG LYS 10 1.353 -2.700 -22.087 939 2HG LYS 10 2HG LYS 10 1.537 -3.094 -20.377 940 1HD LYS 10 1HD LYS 10 0.821 -0.692 -19.916 941 2HD LYS 10 2HD LYS 10 0.328 -0.631 -21.610 942 1HE LYS 10 1HE LYS 10 -1.027 -2.731 -21.119 943 2HE LYS 10 2HE LYS 10 -0.736 -2.388 -19.414 944 1HZ LYS 10 1HZ LYS 10 -1.756 -0.191 -19.766 945 2HZ LYS 10 2HZ LYS 10 -2.832 -1.460 -20.071 946 3HZ LYS 10 3HZ LYS 10 -2.123 -0.625 -21.360 947 H THR 11 H THR 11 4.326 -2.287 -23.565 948 HA THR 11 HA THR 11 7.179 -1.659 -23.430 949 HB THR 11 HB THR 11 7.027 -1.778 -25.942 950 HG1 THR 11 HG1 THR 11 5.039 -1.588 -26.611 951 1HG2 THR 11 1HG2 THR 11 5.877 -4.343 -25.067 952 2HG2 THR 11 2HG2 THR 11 7.343 -3.814 -24.240 953 3HG2 THR 11 3HG2 THR 11 7.339 -4.004 -25.993 954 H LEU 12 H LEU 12 8.053 0.257 -24.201 955 HA LEU 12 HA LEU 12 6.213 2.516 -24.192 956 1HB LEU 12 1HB LEU 12 9.214 2.309 -24.049 957 2HB LEU 12 2HB LEU 12 8.378 3.842 -24.203 958 HG LEU 12 HG LEU 12 8.972 3.459 -21.891 959 1HD1 LEU 12 1HD1 LEU 12 6.011 2.995 -22.138 960 2HD1 LEU 12 2HD1 LEU 12 6.778 4.539 -22.515 961 3HD1 LEU 12 3HD1 LEU 12 6.878 3.880 -20.882 962 1HD2 LEU 12 1HD2 LEU 12 7.144 1.171 -21.546 963 2HD2 LEU 12 2HD2 LEU 12 8.683 1.529 -20.759 964 3HD2 LEU 12 3HD2 LEU 12 8.661 0.831 -22.379 965 H LYS 13 H LYS 13 9.149 1.853 -26.064 966 HA LYS 13 HA LYS 13 7.688 2.475 -28.527 967 1HB LYS 13 1HB LYS 13 9.097 4.434 -27.445 968 2HB LYS 13 2HB LYS 13 10.441 3.585 -28.196 969 1HG LYS 13 1HG LYS 13 8.068 4.133 -29.881 970 2HG LYS 13 2HG LYS 13 9.090 5.501 -29.433 971 1HD LYS 13 1HD LYS 13 11.054 4.242 -30.287 972 2HD LYS 13 2HD LYS 13 9.954 2.979 -30.844 973 1HE LYS 13 1HE LYS 13 8.798 5.151 -31.948 974 2HE LYS 13 2HE LYS 13 10.485 5.661 -31.948 975 1HZ LYS 13 1HZ LYS 13 11.096 3.810 -33.250 976 2HZ LYS 13 2HZ LYS 13 9.713 4.450 -33.985 977 3HZ LYS 13 3HZ LYS 13 9.597 3.052 -33.037 978 H GLY 14 H GLY 14 7.784 0.343 -29.194 979 1HA GLY 14 1HA GLY 14 8.735 -1.344 -30.456 980 2HA GLY 14 2HA GLY 14 10.253 -0.461 -30.420 981 H GLU 15 H GLU 15 11.765 -1.803 -29.695 982 HA GLU 15 HA GLU 15 12.922 -3.222 -28.349 983 1HB GLU 15 1HB GLU 15 10.999 -1.939 -26.483 984 2HB GLU 15 2HB GLU 15 11.821 -3.386 -25.914 985 1HG GLU 15 1HG GLU 15 13.977 -2.351 -26.336 986 2HG GLU 15 2HG GLU 15 13.176 -0.911 -26.963 987 H THR 16 H THR 16 12.958 -5.383 -27.712 988 HA THR 16 HA THR 16 10.480 -6.853 -28.295 989 HB THR 16 HB THR 16 12.378 -7.346 -29.776 990 HG1 THR 16 HG1 THR 16 11.641 -9.293 -29.799 991 1HG2 THR 16 1HG2 THR 16 13.989 -8.944 -28.087 992 2HG2 THR 16 2HG2 THR 16 13.900 -7.325 -27.393 993 3HG2 THR 16 3HG2 THR 16 14.451 -7.542 -29.053 994 H THR 17 H THR 17 11.115 -5.652 -25.705 995 HA THR 17 HA THR 17 12.025 -7.615 -23.887 996 HB THR 17 HB THR 17 10.541 -6.096 -22.278 997 HG1 THR 17 HG1 THR 17 9.607 -5.048 -24.183 998 1HG2 THR 17 1HG2 THR 17 12.389 -4.333 -22.379 999 2HG2 THR 17 2HG2 THR 17 13.132 -5.378 -23.588 1000 3HG2 THR 17 3HG2 THR 17 12.838 -5.985 -21.959 1001 H THR 18 H THR 18 10.481 -8.295 -22.001 1002 HA THR 18 HA THR 18 7.923 -9.220 -23.115 1003 HB THR 18 HB THR 18 8.270 -11.413 -22.028 1004 HG1 THR 18 HG1 THR 18 10.914 -10.494 -21.578 1005 1HG2 THR 18 1HG2 THR 18 9.442 -12.350 -23.718 1006 2HG2 THR 18 2HG2 THR 18 10.727 -11.143 -23.649 1007 3HG2 THR 18 3HG2 THR 18 9.192 -10.754 -24.426 1008 H GLU 19 H GLU 19 8.244 -6.997 -21.462 1009 HA GLU 19 HA GLU 19 7.951 -7.497 -18.719 1010 1HB GLU 19 1HB GLU 19 6.919 -5.209 -20.402 1011 2HB GLU 19 2HB GLU 19 6.907 -5.227 -18.644 1012 1HG GLU 19 1HG GLU 19 9.340 -5.386 -18.623 1013 2HG GLU 19 2HG GLU 19 9.357 -5.382 -20.386 1014 H ALA 20 H ALA 20 5.996 -7.190 -17.412 1015 HA ALA 20 HA ALA 20 3.405 -7.434 -18.538 1016 1HB ALA 20 1HB ALA 20 4.722 -9.949 -17.550 1017 2HB ALA 20 2HB ALA 20 3.926 -9.661 -19.097 1018 3HB ALA 20 3HB ALA 20 2.969 -9.760 -17.618 1019 H VAL 21 H VAL 21 4.064 -5.624 -16.824 1020 HA VAL 21 HA VAL 21 3.494 -6.532 -14.100 1021 HB VAL 21 HB VAL 21 4.167 -3.730 -15.000 1022 1HG1 VAL 21 1HG1 VAL 21 3.193 -3.661 -12.857 1023 2HG1 VAL 21 2HG1 VAL 21 4.934 -3.594 -12.582 1024 3HG1 VAL 21 3HG1 VAL 21 4.059 -5.104 -12.329 1025 1HG2 VAL 21 1HG2 VAL 21 6.468 -4.279 -14.149 1026 2HG2 VAL 21 2HG2 VAL 21 6.016 -5.080 -15.654 1027 3HG2 VAL 21 3HG2 VAL 21 5.981 -5.974 -14.134 1028 H ASP 22 H ASP 22 1.311 -6.981 -14.181 1029 HA ASP 22 HA ASP 22 -0.516 -4.838 -15.000 1030 1HB ASP 22 1HB ASP 22 -0.771 -7.150 -15.936 1031 2HB ASP 22 2HB ASP 22 -1.156 -7.710 -14.311 1032 H ALA 23 H ALA 23 -1.894 -3.861 -13.674 1033 HA ALA 23 HA ALA 23 -1.433 -3.518 -11.006 1034 1HB ALA 23 1HB ALA 23 -3.285 -2.625 -12.871 1035 2HB ALA 23 2HB ALA 23 -3.084 -2.040 -11.218 1036 3HB ALA 23 3HB ALA 23 -4.262 -3.306 -11.569 1037 H ALA 24 H ALA 24 -3.592 -5.886 -12.511 1038 HA ALA 24 HA ALA 24 -4.671 -6.918 -10.102 1039 1HB ALA 24 1HB ALA 24 -5.363 -8.843 -11.536 1040 2HB ALA 24 2HB ALA 24 -4.485 -8.094 -12.869 1041 3HB ALA 24 3HB ALA 24 -5.862 -7.264 -12.143 1042 H THR 25 H THR 25 -1.741 -7.530 -11.866 1043 HA THR 25 HA THR 25 -1.092 -10.071 -10.869 1044 HB THR 25 HB THR 25 0.644 -7.777 -11.800 1045 HG1 THR 25 HG1 THR 25 -0.884 -9.287 -13.152 1046 1HG2 THR 25 1HG2 THR 25 1.451 -10.395 -10.740 1047 2HG2 THR 25 2HG2 THR 25 2.339 -8.870 -10.830 1048 3HG2 THR 25 3HG2 THR 25 2.192 -9.895 -12.261 1049 H PHE 26 H PHE 26 -0.603 -6.847 -9.578 1050 HA PHE 26 HA PHE 26 1.007 -7.650 -7.363 1051 1HB PHE 26 1HB PHE 26 0.854 -5.296 -8.294 1052 2HB PHE 26 2HB PHE 26 -0.708 -5.168 -7.489 1053 HD1 PHE 26 HD1 PHE 26 2.776 -6.234 -6.677 1054 HD2 PHE 26 HD2 PHE 26 -0.728 -4.170 -5.424 1055 HE1 PHE 26 HE1 PHE 26 3.907 -5.591 -4.589 1056 HE2 PHE 26 HE2 PHE 26 0.397 -3.522 -3.333 1057 HZ PHE 26 HZ PHE 26 2.718 -4.233 -2.914 1058 H GLU 27 H GLU 27 -2.429 -6.828 -7.705 1059 HA GLU 27 HA GLU 27 -3.242 -7.153 -5.086 1060 1HB GLU 27 1HB GLU 27 -4.859 -7.956 -7.505 1061 2HB GLU 27 2HB GLU 27 -5.476 -7.455 -5.936 1062 1HG GLU 27 1HG GLU 27 -4.173 -5.256 -6.440 1063 2HG GLU 27 2HG GLU 27 -4.270 -5.812 -8.111 1064 H LYS 28 H LYS 28 -3.261 -9.652 -7.635 1065 HA LYS 28 HA LYS 28 -4.184 -11.715 -5.959 1066 1HB LYS 28 1HB LYS 28 -4.306 -11.753 -8.429 1067 2HB LYS 28 2HB LYS 28 -2.560 -11.953 -8.495 1068 1HG LYS 28 1HG LYS 28 -2.818 -14.073 -7.221 1069 2HG LYS 28 2HG LYS 28 -4.567 -13.885 -7.358 1070 1HD LYS 28 1HD LYS 28 -2.922 -13.745 -9.836 1071 2HD LYS 28 2HD LYS 28 -3.200 -15.323 -9.098 1072 1HE LYS 28 1HE LYS 28 -5.629 -14.887 -9.161 1073 2HE LYS 28 2HE LYS 28 -5.311 -13.355 -9.974 1074 1HZ LYS 28 1HZ LYS 28 -4.087 -14.814 -11.673 1075 2HZ LYS 28 2HZ LYS 28 -5.777 -14.796 -11.703 1076 3HZ LYS 28 3HZ LYS 28 -4.960 -16.097 -10.998 1077 H VAL 29 H VAL 29 -0.861 -10.946 -7.043 1078 HA VAL 29 HA VAL 29 0.383 -13.079 -5.708 1079 HB VAL 29 HB VAL 29 1.547 -10.389 -6.439 1080 1HG1 VAL 29 1HG1 VAL 29 3.713 -11.535 -6.365 1081 2HG1 VAL 29 2HG1 VAL 29 2.917 -13.000 -5.794 1082 3HG1 VAL 29 3HG1 VAL 29 2.919 -11.549 -4.789 1083 1HG2 VAL 29 1HG2 VAL 29 0.508 -12.232 -8.147 1084 2HG2 VAL 29 2HG2 VAL 29 2.189 -12.754 -8.053 1085 3HG2 VAL 29 3HG2 VAL 29 1.804 -11.108 -8.552 1086 H VAL 30 H VAL 30 -0.312 -9.768 -4.661 1087 HA VAL 30 HA VAL 30 1.116 -9.985 -2.213 1088 HB VAL 30 HB VAL 30 -1.084 -8.047 -2.948 1089 1HG1 VAL 30 1HG1 VAL 30 -0.032 -6.633 -1.173 1090 2HG1 VAL 30 2HG1 VAL 30 0.920 -8.038 -0.695 1091 3HG1 VAL 30 3HG1 VAL 30 -0.838 -8.080 -0.567 1092 1HG2 VAL 30 1HG2 VAL 30 1.187 -8.228 -4.279 1093 2HG2 VAL 30 2HG2 VAL 30 1.802 -7.326 -2.894 1094 3HG2 VAL 30 3HG2 VAL 30 0.491 -6.661 -3.867 1095 H LYS 31 H LYS 31 -2.363 -10.320 -3.005 1096 HA LYS 31 HA LYS 31 -3.205 -10.725 -0.353 1097 1HB LYS 31 1HB LYS 31 -4.714 -10.177 -2.245 1098 2HB LYS 31 2HB LYS 31 -4.429 -11.777 -2.913 1099 1HG LYS 31 1HG LYS 31 -5.410 -12.763 -0.871 1100 2HG LYS 31 2HG LYS 31 -5.776 -11.134 -0.298 1101 1HD LYS 31 1HD LYS 31 -7.216 -10.749 -2.206 1102 2HD LYS 31 2HD LYS 31 -6.784 -12.321 -2.884 1103 1HE LYS 31 1HE LYS 31 -7.662 -13.203 -0.575 1104 2HE LYS 31 2HE LYS 31 -8.526 -11.666 -0.554 1105 1HZ LYS 31 1HZ LYS 31 -9.650 -12.222 -2.542 1106 2HZ LYS 31 2HZ LYS 31 -9.769 -13.578 -1.539 1107 3HZ LYS 31 3HZ LYS 31 -8.667 -13.571 -2.822 1108 H GLN 32 H GLN 32 -2.265 -12.975 -2.921 1109 HA GLN 32 HA GLN 32 -2.755 -15.347 -1.489 1110 1HB GLN 32 1HB GLN 32 -2.400 -15.157 -3.970 1111 2HB GLN 32 2HB GLN 32 -0.683 -14.945 -3.651 1112 1HG GLN 32 1HG GLN 32 -0.485 -17.135 -2.775 1113 2HG GLN 32 2HG GLN 32 -2.234 -17.346 -2.726 1114 1HE2 GLN 32 1HE2 GLN 32 -3.201 -16.794 -5.039 1115 2HE2 GLN 32 2HE2 GLN 32 -2.462 -17.681 -6.324 1116 H PHE 33 H PHE 33 0.238 -13.423 -1.895 1117 HA PHE 33 HA PHE 33 1.839 -15.152 -0.345 1118 1HB PHE 33 1HB PHE 33 3.056 -13.861 -1.802 1119 2HB PHE 33 2HB PHE 33 2.100 -12.420 -1.504 1120 HD1 PHE 33 HD1 PHE 33 4.278 -14.669 0.571 1121 HD2 PHE 33 HD2 PHE 33 3.280 -10.716 -0.649 1122 HE1 PHE 33 HE1 PHE 33 6.072 -13.772 2.006 1123 HE2 PHE 33 HE2 PHE 33 5.059 -9.814 0.788 1124 HZ PHE 33 HZ PHE 33 6.456 -11.335 2.119 1125 H PHE 34 H PHE 34 0.146 -12.123 0.476 1126 HA PHE 34 HA PHE 34 1.091 -12.208 3.169 1127 1HB PHE 34 1HB PHE 34 -0.781 -10.433 1.675 1128 2HB PHE 34 2HB PHE 34 -0.762 -10.382 3.441 1129 HD1 PHE 34 HD1 PHE 34 1.336 -9.974 0.421 1130 HD2 PHE 34 HD2 PHE 34 0.998 -9.371 4.619 1131 HE1 PHE 34 HE1 PHE 34 3.391 -8.618 0.390 1132 HE2 PHE 34 HE2 PHE 34 3.045 -8.010 4.595 1133 HZ PHE 34 HZ PHE 34 4.254 -7.643 2.483 1134 H ASN 35 H ASN 35 -1.830 -13.372 1.591 1135 HA ASN 35 HA ASN 35 -3.425 -13.745 3.857 1136 1HB ASN 35 1HB ASN 35 -3.262 -15.159 1.218 1137 2HB ASN 35 2HB ASN 35 -4.290 -15.812 2.489 1138 1HD2 ASN 35 1HD2 ASN 35 -3.778 -12.373 2.170 1139 2HD2 ASN 35 2HD2 ASN 35 -5.360 -12.000 1.593 1140 H ASP 36 H ASP 36 -0.683 -15.539 2.694 1141 HA ASP 36 HA ASP 36 -0.991 -17.904 4.170 1142 1HB ASP 36 1HB ASP 36 1.566 -16.560 3.278 1143 2HB ASP 36 2HB ASP 36 1.412 -18.239 3.788 1144 H ASN 37 H ASN 37 -0.196 -14.750 5.218 1145 HA ASN 37 HA ASN 37 0.930 -15.802 7.725 1146 1HB ASN 37 1HB ASN 37 1.848 -13.604 8.145 1147 2HB ASN 37 2HB ASN 37 2.316 -14.140 6.535 1148 1HD2 ASN 37 1HD2 ASN 37 2.264 -12.589 5.110 1149 2HD2 ASN 37 2HD2 ASN 37 1.147 -11.273 5.064 1150 H GLY 38 H GLY 38 -1.860 -14.220 6.429 1151 1HA GLY 38 1HA GLY 38 -3.773 -14.569 8.058 1152 2HA GLY 38 2HA GLY 38 -2.777 -13.670 9.185 1153 H VAL 39 H VAL 39 -2.604 -12.532 5.951 1154 HA VAL 39 HA VAL 39 -4.088 -10.153 6.737 1155 HB VAL 39 HB VAL 39 -2.614 -10.646 4.147 1156 1HG1 VAL 39 1HG1 VAL 39 -2.513 -8.023 4.422 1157 2HG1 VAL 39 2HG1 VAL 39 -3.967 -8.299 5.382 1158 3HG1 VAL 39 3HG1 VAL 39 -3.912 -8.814 3.696 1159 1HG2 VAL 39 1HG2 VAL 39 -0.785 -10.660 5.449 1160 2HG2 VAL 39 2HG2 VAL 39 -1.645 -9.995 6.837 1161 3HG2 VAL 39 3HG2 VAL 39 -1.059 -8.922 5.566 1162 H ASP 40 H ASP 40 -5.931 -9.391 5.721 1163 HA ASP 40 HA ASP 40 -7.049 -10.810 3.465 1164 1HB ASP 40 1HB ASP 40 -8.214 -11.012 6.229 1165 2HB ASP 40 2HB ASP 40 -9.247 -11.128 4.807 1166 H GLY 41 H GLY 41 -9.499 -9.917 3.258 1167 1HA GLY 41 1HA GLY 41 -10.831 -7.879 3.676 1168 2HA GLY 41 2HA GLY 41 -9.316 -6.988 3.623 1169 H GLU 42 H GLU 42 -9.857 -5.639 1.931 1170 HA GLU 42 HA GLU 42 -9.760 -6.872 -0.699 1171 1HB GLU 42 1HB GLU 42 -12.046 -5.115 0.204 1172 2HB GLU 42 2HB GLU 42 -11.704 -5.483 -1.481 1173 1HG GLU 42 1HG GLU 42 -11.815 -7.965 -0.601 1174 2HG GLU 42 2HG GLU 42 -12.797 -7.223 0.661 1175 H TRP 43 H TRP 43 -9.281 -5.358 -2.405 1176 HA TRP 43 HA TRP 43 -7.454 -3.333 -1.560 1177 1HB TRP 43 1HB TRP 43 -8.449 -4.246 -4.250 1178 2HB TRP 43 2HB TRP 43 -7.383 -2.853 -4.086 1179 HD1 TRP 43 HD1 TRP 43 -7.367 -6.609 -4.147 1180 HE1 TRP 43 HE1 TRP 43 -4.957 -7.471 -3.883 1181 HE3 TRP 43 HE3 TRP 43 -5.080 -2.227 -2.846 1182 HZ2 TRP 43 HZ2 TRP 43 -2.420 -6.429 -3.208 1183 HZ3 TRP 43 HZ3 TRP 43 -2.659 -2.245 -2.406 1184 HH2 TRP 43 HH2 TRP 43 -1.358 -4.303 -2.583 1185 H THR 44 H THR 44 -7.944 -1.378 -0.943 1186 HA THR 44 HA THR 44 -10.395 -0.132 -1.989 1187 HB THR 44 HB THR 44 -10.367 1.270 0.032 1188 HG1 THR 44 HG1 THR 44 -8.274 1.385 0.623 1189 1HG2 THR 44 1HG2 THR 44 -11.144 -0.275 1.567 1190 2HG2 THR 44 2HG2 THR 44 -10.033 -1.530 1.018 1191 3HG2 THR 44 3HG2 THR 44 -11.412 -1.074 0.018 1192 H TYR 45 H TYR 45 -10.312 1.842 -2.901 1193 HA TYR 45 HA TYR 45 -7.829 2.715 -3.989 1194 1HB TYR 45 1HB TYR 45 -10.641 3.760 -4.070 1195 2HB TYR 45 2HB TYR 45 -9.316 4.733 -4.700 1196 HD1 TYR 45 HD1 TYR 45 -11.511 1.929 -5.302 1197 HD2 TYR 45 HD2 TYR 45 -7.942 3.848 -6.596 1198 HE1 TYR 45 HE1 TYR 45 -11.632 0.704 -7.430 1199 HE2 TYR 45 HE2 TYR 45 -8.052 2.629 -8.728 1200 HH TYR 45 HH TYR 45 -10.131 1.518 -10.108 1201 H ASP 46 H ASP 46 -6.590 4.503 -3.513 1202 HA ASP 46 HA ASP 46 -6.611 5.385 -0.801 1203 1HB ASP 46 1HB ASP 46 -4.975 6.070 -3.226 1204 2HB ASP 46 2HB ASP 46 -4.827 7.030 -1.759 1205 H ASP 47 H ASP 47 -6.726 7.631 -0.107 1206 HA ASP 47 HA ASP 47 -9.048 8.935 -1.051 1207 1HB ASP 47 1HB ASP 47 -8.062 9.064 1.288 1208 2HB ASP 47 2HB ASP 47 -6.886 10.201 0.637 1209 H ALA 48 H ALA 48 -9.339 10.441 -2.578 1210 HA ALA 48 HA ALA 48 -7.450 10.988 -4.523 1211 1HB ALA 48 1HB ALA 48 -9.966 11.274 -4.638 1212 2HB ALA 48 2HB ALA 48 -8.994 12.500 -5.452 1213 3HB ALA 48 3HB ALA 48 -9.719 12.850 -3.883 1214 H THR 49 H THR 49 -6.062 12.635 -4.967 1215 HA THR 49 HA THR 49 -5.758 14.800 -3.018 1216 HB THR 49 HB THR 49 -3.352 13.301 -4.036 1217 HG1 THR 49 HG1 THR 49 -3.405 12.027 -2.268 1218 1HG2 THR 49 1HG2 THR 49 -2.234 14.242 -2.118 1219 2HG2 THR 49 2HG2 THR 49 -3.732 15.009 -1.590 1220 3HG2 THR 49 3HG2 THR 49 -2.958 15.524 -3.088 1221 H LYS 50 H LYS 50 -4.537 16.631 -3.850 1222 HA LYS 50 HA LYS 50 -4.357 16.658 -6.791 1223 1HB LYS 50 1HB LYS 50 -5.773 18.529 -4.955 1224 2HB LYS 50 2HB LYS 50 -4.997 19.203 -6.383 1225 1HG LYS 50 1HG LYS 50 -6.283 17.623 -7.781 1226 2HG LYS 50 2HG LYS 50 -7.114 17.062 -6.329 1227 1HD LYS 50 1HD LYS 50 -7.085 19.962 -7.109 1228 2HD LYS 50 2HD LYS 50 -8.279 18.839 -7.762 1229 1HE LYS 50 1HE LYS 50 -8.703 18.220 -5.290 1230 2HE LYS 50 2HE LYS 50 -7.878 19.736 -4.932 1231 1HZ LYS 50 1HZ LYS 50 -10.375 19.834 -5.128 1232 2HZ LYS 50 2HZ LYS 50 -10.178 19.589 -6.790 1233 3HZ LYS 50 3HZ LYS 50 -9.516 20.961 -6.054 1234 H THR 51 H THR 51 -2.445 17.209 -7.530 1235 HA THR 51 HA THR 51 -0.578 18.629 -5.757 1236 HB THR 51 HB THR 51 -0.129 16.727 -8.064 1237 HG1 THR 51 HG1 THR 51 0.718 15.436 -6.509 1238 1HG2 THR 51 1HG2 THR 51 2.327 16.955 -7.296 1239 2HG2 THR 51 2HG2 THR 51 1.823 18.543 -6.719 1240 3HG2 THR 51 3HG2 THR 51 1.664 18.133 -8.427 1241 H PHE 52 H PHE 52 0.258 20.573 -6.355 1242 HA PHE 52 HA PHE 52 -0.924 21.895 -8.631 1243 1HB PHE 52 1HB PHE 52 -0.586 23.031 -6.431 1244 2HB PHE 52 2HB PHE 52 1.152 22.962 -6.709 1245 HD1 PHE 52 HD1 PHE 52 -2.014 24.446 -7.850 1246 HD2 PHE 52 HD2 PHE 52 2.227 24.468 -8.205 1247 HE1 PHE 52 HE1 PHE 52 -2.133 26.569 -9.091 1248 HE2 PHE 52 HE2 PHE 52 2.116 26.591 -9.444 1249 HZ PHE 52 HZ PHE 52 -0.065 27.643 -9.889 1250 H THR 53 H THR 53 -0.103 21.825 -10.609 1251 HA THR 53 HA THR 53 2.697 21.096 -10.986 1252 HB THR 53 HB THR 53 0.456 21.449 -12.989 1253 HG1 THR 53 HG1 THR 53 0.291 19.626 -11.566 1254 1HG2 THR 53 1HG2 THR 53 3.326 20.841 -13.340 1255 2HG2 THR 53 2HG2 THR 53 2.195 21.662 -14.415 1256 3HG2 THR 53 3HG2 THR 53 2.172 19.904 -14.290 1257 H VAL 54 H VAL 54 4.213 22.602 -11.268 1258 HA VAL 54 HA VAL 54 3.557 25.364 -11.488 1259 HB VAL 54 HB VAL 54 6.283 24.204 -12.020 1260 1HG1 VAL 54 1HG1 VAL 54 6.846 26.403 -10.755 1261 2HG1 VAL 54 2HG1 VAL 54 5.202 26.865 -11.197 1262 3HG1 VAL 54 3HG1 VAL 54 6.376 26.471 -12.454 1263 1HG2 VAL 54 1HG2 VAL 54 5.901 23.180 -9.999 1264 2HG2 VAL 54 2HG2 VAL 54 4.788 24.434 -9.450 1265 3HG2 VAL 54 3HG2 VAL 54 6.526 24.738 -9.460 1266 H THR 55 H THR 55 4.235 26.812 -13.187 1267 HA THR 55 HA THR 55 4.749 25.643 -15.797 1268 HB THR 55 HB THR 55 2.323 27.366 -15.272 1269 HG1 THR 55 HG1 THR 55 1.197 25.487 -15.901 1270 1HG2 THR 55 1HG2 THR 55 3.458 27.697 -17.504 1271 2HG2 THR 55 2HG2 THR 55 1.764 27.206 -17.544 1272 3HG2 THR 55 3HG2 THR 55 3.033 26.021 -17.856 1273 H GLU 56 H GLU 56 3.546 28.796 -14.699 1274 HA GLU 56 HA GLU 56 5.787 30.068 -16.080 1275 1HB GLU 56 1HB GLU 56 3.061 30.912 -15.267 1276 2HB GLU 56 2HB GLU 56 4.305 32.155 -15.256 1277 1HG GLU 56 1HG GLU 56 4.664 31.998 -17.542 1278 2HG GLU 56 2HG GLU 56 3.923 30.401 -17.647 1279 1H MET 1 1H MET 1 -0.051 1.868 -13.097 1280 2H MET 1 2H MET 1 1.183 1.154 -12.143 1281 3H MET 1 3H MET 1 1.117 2.859 -12.328 1282 HA MET 1 HA MET 1 -0.827 3.021 -11.097 1283 1HB MET 1 1HB MET 1 -0.891 0.098 -11.632 1284 2HB MET 1 2HB MET 1 -1.567 0.642 -10.103 1285 1HG MET 1 1HG MET 1 -2.428 2.129 -12.495 1286 2HG MET 1 2HG MET 1 -2.970 0.455 -12.382 1287 1HE MET 1 1HE MET 1 -2.685 3.797 -10.247 1288 2HE MET 1 2HE MET 1 -2.189 2.480 -9.185 1289 3HE MET 1 3HE MET 1 -3.691 3.348 -8.871 1290 H GLN 2 H GLN 2 -0.415 3.628 -9.080 1291 HA GLN 2 HA GLN 2 1.951 2.562 -7.757 1292 1HB GLN 2 1HB GLN 2 1.408 5.055 -7.994 1293 2HB GLN 2 2HB GLN 2 0.193 4.792 -6.751 1294 1HG GLN 2 1HG GLN 2 1.746 4.448 -5.106 1295 2HG GLN 2 2HG GLN 2 2.984 3.904 -6.237 1296 1HE2 GLN 2 1HE2 GLN 2 0.992 6.828 -5.941 1297 2HE2 GLN 2 2HE2 GLN 2 2.312 7.941 -5.998 1298 H TYR 3 H TYR 3 1.855 1.074 -6.211 1299 HA TYR 3 HA TYR 3 -0.740 0.602 -4.918 1300 1HB TYR 3 1HB TYR 3 1.473 -1.249 -5.709 1301 2HB TYR 3 2HB TYR 3 0.386 -1.694 -4.397 1302 HD1 TYR 3 HD1 TYR 3 0.778 -1.389 -7.981 1303 HD2 TYR 3 HD2 TYR 3 -2.058 -1.905 -4.851 1304 HE1 TYR 3 HE1 TYR 3 -0.879 -2.185 -9.619 1305 HE2 TYR 3 HE2 TYR 3 -3.719 -2.703 -6.477 1306 HH TYR 3 HH TYR 3 -4.126 -2.405 -8.989 1307 H LYS 4 H LYS 4 -0.971 0.731 -2.847 1308 HA LYS 4 HA LYS 4 1.383 1.338 -1.181 1309 1HB LYS 4 1HB LYS 4 -1.533 1.970 -0.687 1310 2HB LYS 4 2HB LYS 4 -0.203 2.410 0.373 1311 1HG LYS 4 1HG LYS 4 0.052 3.303 -2.418 1312 2HG LYS 4 2HG LYS 4 -1.255 4.040 -1.489 1313 1HD LYS 4 1HD LYS 4 1.513 3.854 -0.356 1314 2HD LYS 4 2HD LYS 4 1.080 5.155 -1.468 1315 1HE LYS 4 1HE LYS 4 -0.930 5.522 0.112 1316 2HE LYS 4 2HE LYS 4 0.001 4.566 1.266 1317 1HZ LYS 4 1HZ LYS 4 1.841 6.166 0.956 1318 2HZ LYS 4 2HZ LYS 4 0.456 6.869 1.624 1319 3HZ LYS 4 3HZ LYS 4 0.825 7.118 -0.007 1320 H VAL 5 H VAL 5 2.013 -0.068 0.320 1321 HA VAL 5 HA VAL 5 0.063 -1.910 1.493 1322 HB VAL 5 HB VAL 5 2.709 -2.890 0.421 1323 1HG1 VAL 5 1HG1 VAL 5 1.758 -4.094 2.365 1324 2HG1 VAL 5 2HG1 VAL 5 1.861 -5.089 0.913 1325 3HG1 VAL 5 3HG1 VAL 5 0.309 -4.420 1.414 1326 1HG2 VAL 5 1HG2 VAL 5 -0.029 -2.910 -0.801 1327 2HG2 VAL 5 2HG2 VAL 5 1.167 -4.141 -1.211 1328 3HG2 VAL 5 3HG2 VAL 5 1.507 -2.440 -1.528 1329 H ILE 6 H ILE 6 0.254 -1.836 3.639 1330 HA ILE 6 HA ILE 6 2.718 -0.797 4.814 1331 HB ILE 6 HB ILE 6 0.123 -1.407 6.225 1332 1HG1 ILE 6 1HG1 ILE 6 1.026 1.271 5.151 1333 2HG1 ILE 6 2HG1 ILE 6 -0.131 0.231 4.327 1334 1HG2 ILE 6 1HG2 ILE 6 1.031 0.337 7.806 1335 2HG2 ILE 6 2HG2 ILE 6 2.562 0.197 6.944 1336 3HG2 ILE 6 3HG2 ILE 6 1.890 -1.203 7.781 1337 1HD1 ILE 6 1HD1 ILE 6 -1.196 2.026 5.619 1338 2HD1 ILE 6 2HD1 ILE 6 -0.496 1.356 7.092 1339 3HD1 ILE 6 3HD1 ILE 6 -1.671 0.419 6.168 1340 H LEU 7 H LEU 7 4.208 -2.170 5.509 1341 HA LEU 7 HA LEU 7 3.385 -4.860 6.375 1342 1HB LEU 7 1HB LEU 7 5.799 -3.781 5.040 1343 2HB LEU 7 2HB LEU 7 6.082 -5.026 6.240 1344 HG LEU 7 HG LEU 7 4.065 -6.142 4.763 1345 1HD1 LEU 7 1HD1 LEU 7 5.183 -5.825 2.388 1346 2HD1 LEU 7 2HD1 LEU 7 5.572 -4.239 3.056 1347 3HD1 LEU 7 3HD1 LEU 7 3.892 -4.767 2.957 1348 1HD2 LEU 7 1HD2 LEU 7 7.042 -6.379 4.330 1349 2HD2 LEU 7 2HD2 LEU 7 5.836 -7.539 3.770 1350 3HD2 LEU 7 3HD2 LEU 7 6.079 -7.281 5.500 1351 H ASN 8 H ASN 8 3.443 -5.318 8.492 1352 HA ASN 8 HA ASN 8 5.418 -4.096 10.212 1353 1HB ASN 8 1HB ASN 8 2.530 -3.369 10.303 1354 2HB ASN 8 2HB ASN 8 3.387 -3.541 11.832 1355 1HD2 ASN 8 1HD2 ASN 8 2.254 -1.155 10.695 1356 2HD2 ASN 8 2HD2 ASN 8 3.551 -0.033 10.490 1357 H GLY 9 H GLY 9 2.290 -5.749 10.568 1358 1HA GLY 9 1HA GLY 9 3.071 -8.294 11.076 1359 2HA GLY 9 2HA GLY 9 3.371 -7.484 12.605 1360 H LYS 10 H LYS 10 1.522 -9.627 12.127 1361 HA LYS 10 HA LYS 10 -1.132 -8.714 11.881 1362 1HB LYS 10 1HB LYS 10 -0.329 -11.099 11.683 1363 2HB LYS 10 2HB LYS 10 -0.222 -11.135 13.438 1364 1HG LYS 10 1HG LYS 10 -2.666 -10.510 13.477 1365 2HG LYS 10 2HG LYS 10 -2.680 -10.826 11.741 1366 1HD LYS 10 1HD LYS 10 -2.513 -13.071 12.012 1367 2HD LYS 10 2HD LYS 10 -1.499 -12.928 13.450 1368 1HE LYS 10 1HE LYS 10 -4.281 -11.990 13.730 1369 2HE LYS 10 2HE LYS 10 -4.075 -13.725 13.495 1370 1HZ LYS 10 1HZ LYS 10 -2.256 -13.348 15.343 1371 2HZ LYS 10 2HZ LYS 10 -3.879 -13.617 15.739 1372 3HZ LYS 10 3HZ LYS 10 -3.258 -12.043 15.740 1373 H THR 11 H THR 11 -2.659 -8.119 13.376 1374 HA THR 11 HA THR 11 -1.632 -7.059 15.865 1375 HB THR 11 HB THR 11 -4.169 -6.391 16.053 1376 HG1 THR 11 HG1 THR 11 -4.851 -7.705 14.319 1377 1HG2 THR 11 1HG2 THR 11 -3.825 -4.458 14.555 1378 2HG2 THR 11 2HG2 THR 11 -2.327 -5.202 13.995 1379 3HG2 THR 11 3HG2 THR 11 -2.495 -4.720 15.684 1380 H LEU 12 H LEU 12 -3.105 -7.307 17.845 1381 HA LEU 12 HA LEU 12 -3.905 -8.627 19.510 1382 1HB LEU 12 1HB LEU 12 -5.480 -9.161 17.321 1383 2HB LEU 12 2HB LEU 12 -4.955 -10.762 17.803 1384 HG LEU 12 HG LEU 12 -6.306 -8.785 19.641 1385 1HD1 LEU 12 1HD1 LEU 12 -7.680 -9.718 17.700 1386 2HD1 LEU 12 2HD1 LEU 12 -8.321 -9.928 19.329 1387 3HD1 LEU 12 3HD1 LEU 12 -7.535 -11.277 18.511 1388 1HD2 LEU 12 1HD2 LEU 12 -4.707 -10.670 20.492 1389 2HD2 LEU 12 2HD2 LEU 12 -6.078 -11.719 20.130 1390 3HD2 LEU 12 3HD2 LEU 12 -6.260 -10.395 21.281 1391 H LYS 13 H LYS 13 -1.240 -9.027 18.640 1392 HA LYS 13 HA LYS 13 -0.654 -11.473 19.946 1393 1HB LYS 13 1HB LYS 13 0.483 -12.594 18.031 1394 2HB LYS 13 2HB LYS 13 -1.266 -12.520 17.869 1395 1HG LYS 13 1HG LYS 13 -0.774 -11.836 15.789 1396 2HG LYS 13 2HG LYS 13 -0.581 -10.266 16.571 1397 1HD LYS 13 1HD LYS 13 1.372 -10.468 15.329 1398 2HD LYS 13 2HD LYS 13 1.869 -11.012 16.933 1399 1HE LYS 13 1HE LYS 13 2.050 -13.201 16.285 1400 2HE LYS 13 2HE LYS 13 0.839 -13.037 15.015 1401 1HZ LYS 13 1HZ LYS 13 3.522 -11.787 14.858 1402 2HZ LYS 13 2HZ LYS 13 2.392 -11.967 13.614 1403 3HZ LYS 13 3HZ LYS 13 3.184 -13.325 14.238 1404 H GLY 14 H GLY 14 1.571 -11.711 20.407 1405 1HA GLY 14 1HA GLY 14 3.240 -9.418 19.578 1406 2HA GLY 14 2HA GLY 14 3.193 -9.974 21.244 1407 H GLU 15 H GLU 15 3.413 -12.639 21.097 1408 HA GLU 15 HA GLU 15 4.925 -14.328 20.899 1409 1HB GLU 15 1HB GLU 15 5.188 -12.983 18.225 1410 2HB GLU 15 2HB GLU 15 6.211 -14.350 18.646 1411 1HG GLU 15 1HG GLU 15 4.056 -15.594 19.173 1412 2HG GLU 15 2HG GLU 15 3.230 -14.277 18.343 1413 H THR 16 H THR 16 7.415 -14.694 20.251 1414 HA THR 16 HA THR 16 8.854 -12.744 21.858 1415 HB THR 16 HB THR 16 9.850 -15.341 20.672 1416 HG1 THR 16 HG1 THR 16 8.646 -14.765 23.167 1417 1HG2 THR 16 1HG2 THR 16 11.156 -14.861 23.055 1418 2HG2 THR 16 2HG2 THR 16 11.134 -13.292 22.251 1419 3HG2 THR 16 3HG2 THR 16 11.825 -14.692 21.432 1420 H THR 17 H THR 17 8.738 -11.048 20.247 1421 HA THR 17 HA THR 17 9.583 -9.751 18.582 1422 HB THR 17 HB THR 17 11.926 -9.765 18.279 1423 HG1 THR 17 HG1 THR 17 13.141 -11.527 18.333 1424 1HG2 THR 17 1HG2 THR 17 11.382 -9.249 20.579 1425 2HG2 THR 17 2HG2 THR 17 12.904 -10.135 20.483 1426 3HG2 THR 17 3HG2 THR 17 11.433 -10.962 20.993 1427 H THR 18 H THR 18 11.088 -10.076 16.403 1428 HA THR 18 HA THR 18 10.951 -10.712 14.225 1429 HB THR 18 HB THR 18 11.202 -13.051 13.766 1430 HG1 THR 18 HG1 THR 18 10.576 -14.616 15.139 1431 1HG2 THR 18 1HG2 THR 18 12.979 -11.824 15.231 1432 2HG2 THR 18 2HG2 THR 18 13.085 -13.562 14.950 1433 3HG2 THR 18 3HG2 THR 18 12.432 -12.953 16.470 1434 H GLU 19 H GLU 19 8.933 -9.558 13.989 1435 HA GLU 19 HA GLU 19 6.423 -10.868 14.253 1436 1HB GLU 19 1HB GLU 19 7.285 -8.361 12.813 1437 2HB GLU 19 2HB GLU 19 5.620 -8.925 12.811 1438 1HG GLU 19 1HG GLU 19 5.516 -7.496 14.563 1439 2HG GLU 19 2HG GLU 19 6.006 -8.955 15.424 1440 H ALA 20 H ALA 20 4.915 -11.071 12.320 1441 HA ALA 20 HA ALA 20 6.130 -12.866 10.438 1442 1HB ALA 20 1HB ALA 20 4.018 -13.560 11.097 1443 2HB ALA 20 2HB ALA 20 3.725 -12.869 9.501 1444 3HB ALA 20 3HB ALA 20 3.331 -11.942 10.949 1445 H VAL 21 H VAL 21 4.638 -9.668 10.281 1446 HA VAL 21 HA VAL 21 5.333 -9.462 7.446 1447 HB VAL 21 HB VAL 21 3.868 -7.417 9.111 1448 1HG1 VAL 21 1HG1 VAL 21 4.654 -6.426 7.126 1449 2HG1 VAL 21 2HG1 VAL 21 2.967 -6.831 6.806 1450 3HG1 VAL 21 3HG1 VAL 21 4.257 -7.848 6.163 1451 1HG2 VAL 21 1HG2 VAL 21 1.808 -8.383 8.041 1452 2HG2 VAL 21 2HG2 VAL 21 2.565 -9.404 9.263 1453 3HG2 VAL 21 3HG2 VAL 21 2.796 -9.759 7.550 1454 H ASP 22 H ASP 22 7.548 -9.226 7.519 1455 HA ASP 22 HA ASP 22 8.646 -6.956 9.014 1456 1HB ASP 22 1HB ASP 22 9.647 -9.237 9.266 1457 2HB ASP 22 2HB ASP 22 10.111 -9.167 7.568 1458 H ALA 23 H ALA 23 9.591 -5.259 8.093 1459 HA ALA 23 HA ALA 23 8.923 -4.325 5.617 1460 1HB ALA 23 1HB ALA 23 10.492 -3.479 7.745 1461 2HB ALA 23 2HB ALA 23 10.039 -2.534 6.324 1462 3HB ALA 23 3HB ALA 23 11.568 -3.415 6.347 1463 H ALA 24 H ALA 24 11.781 -6.230 6.475 1464 HA ALA 24 HA ALA 24 13.013 -6.135 3.925 1465 1HB ALA 24 1HB ALA 24 14.343 -8.068 4.773 1466 2HB ALA 24 2HB ALA 24 13.334 -8.062 6.220 1467 3HB ALA 24 3HB ALA 24 14.343 -6.665 5.842 1468 H THR 25 H THR 25 10.505 -8.110 5.299 1469 HA THR 25 HA THR 25 10.634 -10.328 3.585 1470 HB THR 25 HB THR 25 8.315 -9.058 5.051 1471 HG1 THR 25 HG1 THR 25 10.300 -10.337 5.985 1472 1HG2 THR 25 1HG2 THR 25 8.317 -11.378 3.249 1473 2HG2 THR 25 2HG2 THR 25 7.003 -10.298 3.729 1474 3HG2 THR 25 3HG2 THR 25 7.528 -11.592 4.812 1475 H PHE 26 H PHE 26 9.107 -7.189 3.251 1476 HA PHE 26 HA PHE 26 7.724 -7.784 0.826 1477 1HB PHE 26 1HB PHE 26 7.178 -5.871 2.399 1478 2HB PHE 26 2HB PHE 26 8.583 -5.037 1.740 1479 HD1 PHE 26 HD1 PHE 26 5.568 -6.851 0.496 1480 HD2 PHE 26 HD2 PHE 26 8.201 -3.539 0.045 1481 HE1 PHE 26 HE1 PHE 26 4.199 -6.024 -1.373 1482 HE2 PHE 26 HE2 PHE 26 6.834 -2.702 -1.823 1483 HZ PHE 26 HZ PHE 26 4.830 -3.946 -2.534 1484 H GLU 27 H GLU 27 10.747 -6.069 1.552 1485 HA GLU 27 HA GLU 27 11.495 -5.356 -1.009 1486 1HB GLU 27 1HB GLU 27 13.390 -6.272 1.157 1487 2HB GLU 27 2HB GLU 27 13.753 -5.186 -0.176 1488 1HG GLU 27 1HG GLU 27 11.857 -3.732 0.863 1489 2HG GLU 27 2HG GLU 27 12.197 -4.677 2.312 1490 H LYS 28 H LYS 28 12.412 -8.346 0.711 1491 HA LYS 28 HA LYS 28 13.853 -9.443 -1.442 1492 1HB LYS 28 1HB LYS 28 14.099 -10.150 0.915 1493 2HB LYS 28 2HB LYS 28 12.508 -10.896 0.840 1494 1HG LYS 28 1HG LYS 28 13.354 -12.368 -0.978 1495 2HG LYS 28 2HG LYS 28 14.962 -11.691 -0.710 1496 1HD LYS 28 1HD LYS 28 13.475 -12.788 1.625 1497 2HD LYS 28 2HD LYS 28 14.192 -13.920 0.476 1498 1HE LYS 28 1HE LYS 28 16.366 -12.789 0.771 1499 2HE LYS 28 2HE LYS 28 15.630 -11.735 1.978 1500 1HZ LYS 28 1HZ LYS 28 15.003 -13.926 3.126 1501 2HZ LYS 28 2HZ LYS 28 16.605 -13.395 3.233 1502 3HZ LYS 28 3HZ LYS 28 16.192 -14.624 2.147 1503 H VAL 29 H VAL 29 10.511 -10.095 -0.340 1504 HA VAL 29 HA VAL 29 9.933 -12.032 -2.287 1505 HB VAL 29 HB VAL 29 8.024 -10.170 -0.871 1506 1HG1 VAL 29 1HG1 VAL 29 6.324 -11.867 -1.370 1507 2HG1 VAL 29 2HG1 VAL 29 7.511 -12.775 -2.305 1508 3HG1 VAL 29 3HG1 VAL 29 7.003 -11.173 -2.844 1509 1HG2 VAL 29 1HG2 VAL 29 9.667 -12.002 0.284 1510 2HG2 VAL 29 2HG2 VAL 29 8.231 -12.975 -0.036 1511 3HG2 VAL 29 3HG2 VAL 29 8.103 -11.508 0.934 1512 H VAL 30 H VAL 30 9.510 -8.517 -2.306 1513 HA VAL 30 HA VAL 30 8.107 -8.457 -4.778 1514 HB VAL 30 HB VAL 30 9.625 -6.225 -3.414 1515 1HG1 VAL 30 1HG1 VAL 30 8.096 -4.766 -4.758 1516 2HG1 VAL 30 2HG1 VAL 30 7.622 -6.199 -5.668 1517 3HG1 VAL 30 3HG1 VAL 30 9.295 -5.642 -5.709 1518 1HG2 VAL 30 1HG2 VAL 30 7.592 -7.476 -2.298 1519 2HG2 VAL 30 2HG2 VAL 30 6.659 -6.459 -3.396 1520 3HG2 VAL 30 3HG2 VAL 30 7.741 -5.721 -2.215 1521 H LYS 31 H LYS 31 11.551 -7.900 -3.953 1522 HA LYS 31 HA LYS 31 12.351 -7.244 -6.568 1523 1HB LYS 31 1HB LYS 31 13.702 -6.815 -4.534 1524 2HB LYS 31 2HB LYS 31 13.957 -8.545 -4.358 1525 1HG LYS 31 1HG LYS 31 15.105 -8.565 -6.545 1526 2HG LYS 31 2HG LYS 31 14.920 -6.810 -6.622 1527 1HD LYS 31 1HD LYS 31 16.248 -6.552 -4.609 1528 2HD LYS 31 2HD LYS 31 16.368 -8.305 -4.436 1529 1HE LYS 31 1HE LYS 31 17.365 -8.152 -6.860 1530 2HE LYS 31 2HE LYS 31 17.705 -6.488 -6.385 1531 1HZ LYS 31 1HZ LYS 31 19.044 -7.222 -4.602 1532 2HZ LYS 31 2HZ LYS 31 19.524 -8.129 -5.947 1533 3HZ LYS 31 3HZ LYS 31 18.535 -8.827 -4.766 1534 H GLN 32 H GLN 32 12.281 -10.311 -4.799 1535 HA GLN 32 HA GLN 32 13.420 -11.897 -6.826 1536 1HB GLN 32 1HB GLN 32 13.144 -12.550 -4.417 1537 2HB GLN 32 2HB GLN 32 11.433 -12.797 -4.736 1538 1HG GLN 32 1HG GLN 32 11.873 -14.593 -6.210 1539 2HG GLN 32 2HG GLN 32 13.598 -14.227 -6.247 1540 1HE2 GLN 32 1HE2 GLN 32 14.469 -14.090 -3.838 1541 2HE2 GLN 32 2HE2 GLN 32 14.108 -15.490 -2.892 1542 H PHE 33 H PHE 33 9.999 -11.203 -6.028 1543 HA PHE 33 HA PHE 33 8.946 -12.825 -8.081 1544 1HB PHE 33 1HB PHE 33 7.457 -12.453 -6.372 1545 2HB PHE 33 2HB PHE 33 7.901 -10.765 -6.201 1546 HD1 PHE 33 HD1 PHE 33 6.438 -12.884 -8.934 1547 HD2 PHE 33 HD2 PHE 33 6.208 -9.344 -6.586 1548 HE1 PHE 33 HE1 PHE 33 4.389 -12.220 -10.134 1549 HE2 PHE 33 HE2 PHE 33 4.171 -8.670 -7.785 1550 HZ PHE 33 HZ PHE 33 3.258 -10.100 -9.561 1551 H PHE 34 H PHE 34 9.567 -9.318 -7.918 1552 HA PHE 34 HA PHE 34 8.572 -8.917 -10.563 1553 1HB PHE 34 1HB PHE 34 9.865 -7.153 -8.537 1554 2HB PHE 34 2HB PHE 34 9.749 -6.606 -10.212 1555 HD1 PHE 34 HD1 PHE 34 7.770 -7.757 -7.304 1556 HD2 PHE 34 HD2 PHE 34 7.706 -5.903 -11.133 1557 HE1 PHE 34 HE1 PHE 34 5.398 -7.179 -6.982 1558 HE2 PHE 34 HE2 PHE 34 5.341 -5.315 -10.817 1559 HZ PHE 34 HZ PHE 34 4.177 -5.964 -8.747 1560 H ASN 35 H ASN 35 11.781 -9.514 -9.250 1561 HA ASN 35 HA ASN 35 13.303 -8.702 -11.451 1562 1HB ASN 35 1HB ASN 35 13.715 -10.793 -9.340 1563 2HB ASN 35 2HB ASN 35 14.834 -10.699 -10.695 1564 1HD2 ASN 35 1HD2 ASN 35 13.290 -7.834 -9.427 1565 2HD2 ASN 35 2HD2 ASN 35 14.702 -7.168 -8.693 1566 H ASP 36 H ASP 36 11.317 -11.517 -10.983 1567 HA ASP 36 HA ASP 36 12.277 -13.138 -13.060 1568 1HB ASP 36 1HB ASP 36 9.470 -12.977 -11.944 1569 2HB ASP 36 2HB ASP 36 10.122 -14.303 -12.903 1570 H ASN 37 H ASN 37 10.489 -10.228 -13.194 1571 HA ASN 37 HA ASN 37 9.631 -10.812 -15.948 1572 1HB ASN 37 1HB ASN 37 8.054 -8.987 -15.760 1573 2HB ASN 37 2HB ASN 37 7.852 -10.083 -14.398 1574 1HD2 ASN 37 1HD2 ASN 37 7.483 -9.074 -12.586 1575 2HD2 ASN 37 2HD2 ASN 37 8.134 -7.548 -12.108 1576 H GLY 38 H GLY 38 11.848 -8.883 -14.123 1577 1HA GLY 38 1HA GLY 38 13.695 -8.134 -15.690 1578 2HA GLY 38 2HA GLY 38 12.415 -7.306 -16.557 1579 H VAL 39 H VAL 39 12.051 -7.260 -13.144 1580 HA VAL 39 HA VAL 39 12.679 -4.416 -13.143 1581 HB VAL 39 HB VAL 39 11.555 -6.066 -10.876 1582 1HG1 VAL 39 1HG1 VAL 39 10.630 -3.649 -10.381 1583 2HG1 VAL 39 2HG1 VAL 39 12.040 -3.161 -11.322 1584 3HG1 VAL 39 3HG1 VAL 39 12.246 -4.129 -9.863 1585 1HG2 VAL 39 1HG2 VAL 39 9.761 -6.274 -12.210 1586 2HG2 VAL 39 2HG2 VAL 39 10.307 -5.008 -13.309 1587 3HG2 VAL 39 3HG2 VAL 39 9.476 -4.579 -11.814 1588 H ASP 40 H ASP 40 14.237 -3.443 -11.865 1589 HA ASP 40 HA ASP 40 15.848 -5.028 -10.063 1590 1HB ASP 40 1HB ASP 40 16.886 -4.051 -12.710 1591 2HB ASP 40 2HB ASP 40 17.970 -4.244 -11.335 1592 H GLY 41 H GLY 41 17.904 -3.514 -9.493 1593 1HA GLY 41 1HA GLY 41 18.511 -1.131 -9.245 1594 2HA GLY 41 2HA GLY 41 16.799 -0.813 -9.011 1595 H GLU 42 H GLU 42 16.970 0.093 -6.980 1596 HA GLU 42 HA GLU 42 17.386 -1.809 -4.821 1597 1HB GLU 42 1HB GLU 42 18.965 0.754 -5.072 1598 2HB GLU 42 2HB GLU 42 18.837 -0.173 -3.583 1599 1HG GLU 42 1HG GLU 42 19.674 -2.129 -5.141 1600 2HG GLU 42 2HG GLU 42 20.314 -0.783 -6.084 1601 H TRP 43 H TRP 43 16.539 -1.075 -2.778 1602 HA TRP 43 HA TRP 43 14.135 0.430 -3.091 1603 1HB TRP 43 1HB TRP 43 15.492 -0.855 -0.733 1604 2HB TRP 43 2HB TRP 43 14.037 0.119 -0.540 1605 HD1 TRP 43 HD1 TRP 43 15.198 -3.306 -1.554 1606 HE1 TRP 43 HE1 TRP 43 13.168 -4.763 -2.166 1607 HE3 TRP 43 HE3 TRP 43 11.599 0.321 -1.657 1608 HZ2 TRP 43 HZ2 TRP 43 10.405 -4.421 -2.634 1609 HZ3 TRP 43 HZ3 TRP 43 9.287 -0.326 -2.196 1610 HH2 TRP 43 HH2 TRP 43 8.704 -2.648 -2.675 1611 H THR 44 H THR 44 13.960 2.531 -3.098 1612 HA THR 44 HA THR 44 15.948 4.124 -1.628 1613 HB THR 44 HB THR 44 15.384 5.966 -3.161 1614 HG1 THR 44 HG1 THR 44 13.336 5.583 -3.789 1615 1HG2 THR 44 1HG2 THR 44 16.535 5.251 -5.035 1616 2HG2 THR 44 2HG2 THR 44 15.896 3.610 -4.924 1617 3HG2 THR 44 3HG2 THR 44 17.110 4.164 -3.771 1618 H TYR 45 H TYR 45 15.297 5.625 -0.191 1619 HA TYR 45 HA TYR 45 12.721 5.329 0.985 1620 1HB TYR 45 1HB TYR 45 15.068 7.129 1.493 1621 2HB TYR 45 2HB TYR 45 13.537 7.418 2.313 1622 HD1 TYR 45 HD1 TYR 45 16.524 5.392 2.189 1623 HD2 TYR 45 HD2 TYR 45 12.597 5.640 3.807 1624 HE1 TYR 45 HE1 TYR 45 17.120 3.708 3.879 1625 HE2 TYR 45 HE2 TYR 45 13.182 3.959 5.502 1626 HH TYR 45 HH TYR 45 15.561 3.204 6.604 1627 H ASP 46 H ASP 46 10.965 6.698 0.986 1628 HA ASP 46 HA ASP 46 10.580 8.282 -1.354 1629 1HB ASP 46 1HB ASP 46 8.930 7.694 1.088 1630 2HB ASP 46 2HB ASP 46 8.420 8.939 -0.047 1631 H ASP 47 H ASP 47 9.956 10.551 -1.369 1632 HA ASP 47 HA ASP 47 11.795 12.186 0.017 1633 1HB ASP 47 1HB ASP 47 10.715 12.667 -2.229 1634 2HB ASP 47 2HB ASP 47 9.270 13.139 -1.340 1635 H ALA 48 H ALA 48 11.672 13.200 1.924 1636 HA ALA 48 HA ALA 48 9.799 12.549 3.852 1637 1HB ALA 48 1HB ALA 48 12.105 13.557 4.164 1638 2HB ALA 48 2HB ALA 48 10.838 14.132 5.249 1639 3HB ALA 48 3HB ALA 48 11.347 15.124 3.882 1640 H THR 49 H THR 49 7.994 13.485 4.688 1641 HA THR 49 HA THR 49 6.938 15.909 3.431 1642 HB THR 49 HB THR 49 5.171 13.510 3.863 1643 HG1 THR 49 HG1 THR 49 5.548 12.861 1.825 1644 1HG2 THR 49 1HG2 THR 49 3.725 14.562 2.246 1645 2HG2 THR 49 2HG2 THR 49 4.885 15.873 2.024 1646 3HG2 THR 49 3HG2 THR 49 4.061 15.675 3.572 1647 H LYS 50 H LYS 50 5.248 16.947 4.695 1648 HA LYS 50 HA LYS 50 5.209 16.071 7.507 1649 1HB LYS 50 1HB LYS 50 5.878 18.737 6.356 1650 2HB LYS 50 2HB LYS 50 5.005 18.690 7.881 1651 1HG LYS 50 1HG LYS 50 6.788 17.257 8.815 1652 2HG LYS 50 2HG LYS 50 7.677 17.432 7.302 1653 1HD LYS 50 1HD LYS 50 6.783 19.818 8.892 1654 2HD LYS 50 2HD LYS 50 8.300 18.986 9.243 1655 1HE LYS 50 1HE LYS 50 8.769 19.279 6.718 1656 2HE LYS 50 2HE LYS 50 7.497 20.497 6.783 1657 1HZ LYS 50 1HZ LYS 50 9.855 21.296 7.114 1658 2HZ LYS 50 2HZ LYS 50 9.812 20.541 8.626 1659 3HZ LYS 50 3HZ LYS 50 8.730 21.792 8.276 1660 H THR 51 H THR 51 3.256 15.761 8.284 1661 HA THR 51 HA THR 51 0.957 16.973 6.909 1662 HB THR 51 HB THR 51 1.235 14.448 8.548 1663 HG1 THR 51 HG1 THR 51 0.747 13.463 6.648 1664 1HG2 THR 51 1HG2 THR 51 -1.203 14.107 7.770 1665 2HG2 THR 51 2HG2 THR 51 -1.249 15.867 7.686 1666 3HG2 THR 51 3HG2 THR 51 -0.888 15.066 9.215 1667 H PHE 52 H PHE 52 -0.413 18.302 8.000 1668 HA PHE 52 HA PHE 52 0.406 19.215 10.611 1669 1HB PHE 52 1HB PHE 52 -0.375 20.770 8.817 1670 2HB PHE 52 2HB PHE 52 -1.989 20.085 8.982 1671 HD1 PHE 52 HD1 PHE 52 0.609 22.086 10.652 1672 HD2 PHE 52 HD2 PHE 52 -3.409 20.688 10.790 1673 HE1 PHE 52 HE1 PHE 52 0.117 23.688 12.454 1674 HE2 PHE 52 HE2 PHE 52 -3.908 22.289 12.592 1675 HZ PHE 52 HZ PHE 52 -2.144 23.792 13.425 1676 H THR 53 H THR 53 -0.261 18.328 12.447 1677 HA THR 53 HA THR 53 -2.673 16.687 12.466 1678 HB THR 53 HB THR 53 -0.561 17.131 14.589 1679 HG1 THR 53 HG1 THR 53 0.088 15.937 12.706 1680 1HG2 THR 53 1HG2 THR 53 -3.077 15.576 14.613 1681 2HG2 THR 53 2HG2 THR 53 -2.220 16.376 15.930 1682 3HG2 THR 53 3HG2 THR 53 -1.644 14.826 15.317 1683 H VAL 54 H VAL 54 -4.569 17.494 13.098 1684 HA VAL 54 HA VAL 54 -4.800 20.138 14.130 1685 HB VAL 54 HB VAL 54 -6.999 18.083 14.182 1686 1HG1 VAL 54 1HG1 VAL 54 -8.273 20.266 13.565 1687 2HG1 VAL 54 2HG1 VAL 54 -6.840 21.065 14.213 1688 3HG1 VAL 54 3HG1 VAL 54 -7.783 19.979 15.234 1689 1HG2 VAL 54 1HG2 VAL 54 -6.412 17.849 11.974 1690 2HG2 VAL 54 2HG2 VAL 54 -5.772 19.488 11.857 1691 3HG2 VAL 54 3HG2 VAL 54 -7.516 19.220 11.872 1692 H THR 55 H THR 55 -5.809 20.752 16.140 1693 HA THR 55 HA THR 55 -5.814 18.783 18.278 1694 HB THR 55 HB THR 55 -4.069 21.248 18.386 1695 HG1 THR 55 HG1 THR 55 -2.387 19.721 18.490 1696 1HG2 THR 55 1HG2 THR 55 -5.145 20.551 20.562 1697 2HG2 THR 55 2HG2 THR 55 -3.383 20.622 20.538 1698 3HG2 THR 55 3HG2 THR 55 -4.205 19.064 20.435 1699 H GLU 56 H GLU 56 -5.701 22.328 18.188 1700 HA GLU 56 HA GLU 56 -8.159 22.391 19.770 1701 1HB GLU 56 1HB GLU 56 -5.870 24.232 19.364 1702 2HB GLU 56 2HB GLU 56 -7.437 24.979 19.643 1703 1HG GLU 56 1HG GLU 56 -7.631 24.080 21.771 1704 2HG GLU 56 2HG GLU 56 -6.434 22.825 21.455
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