NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17245 | 2bw2 | 6731 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 24.423 11.489 0.094 2 H2 ALA 1 HT3 ALA 1 24.422 13.150 -0.188 3 H3 ALA 1 HT2 ALA 1 25.575 12.178 -0.922 4 HA ALA 1 HA ALA 1 26.616 13.369 0.817 5 1HB ALA 1 HB2 ALA 1 24.635 13.838 2.164 6 2HB ALA 1 HB3 ALA 1 25.903 13.112 3.146 7 3HB ALA 1 HB1 ALA 1 24.538 12.132 2.619 8 H GLU 2 HN GLU 2 25.266 10.160 0.792 9 HA GLU 2 HA GLU 2 27.219 8.815 2.233 10 1HB GLU 2 HB2 GLU 2 26.186 6.839 1.246 11 2HB GLU 2 HB1 GLU 2 24.956 7.968 1.770 12 1HG GLU 2 HG2 GLU 2 25.847 7.466 -1.070 13 2HG GLU 2 HG1 GLU 2 24.362 6.889 -0.344 14 H VAL 3 HN VAL 3 28.965 7.535 1.404 15 HA VAL 3 HA VAL 3 30.004 8.682 -1.093 16 HB VAL 3 HB VAL 3 31.779 7.534 1.032 17 1HG1 VAL 3 2HG1 VAL 3 32.295 9.662 -1.017 18 2HG1 VAL 3 1HG1 VAL 3 33.442 9.140 0.215 19 3HG1 VAL 3 3HG1 VAL 3 32.894 8.000 -1.010 20 1HG2 VAL 3 1HG2 VAL 3 30.738 10.370 1.074 21 2HG2 VAL 3 3HG2 VAL 3 30.455 9.128 2.292 22 3HG2 VAL 3 2HG2 VAL 3 32.075 9.783 2.054 23 H GLU 4 HN GLU 4 31.688 7.258 -2.029 24 HA GLU 4 HA GLU 4 30.777 4.494 -2.333 25 1HB GLU 4 HB2 GLU 4 32.796 6.212 -3.802 26 2HB GLU 4 HB1 GLU 4 32.432 4.545 -4.205 27 1HG GLU 4 HG2 GLU 4 30.314 6.660 -4.207 28 2HG GLU 4 HG1 GLU 4 31.360 6.387 -5.601 29 H HIS 5 HN HIS 5 31.936 2.929 -1.149 30 HA HIS 5 HA HIS 5 34.641 3.734 -0.354 31 1HB HIS 5 HB2 HIS 5 32.866 2.045 1.380 32 2HB HIS 5 HB1 HIS 5 34.413 2.699 1.766 33 HD1 HIS 5 HD1 HIS 5 34.589 5.219 2.413 34 HD2 HIS 5 HD2 HIS 5 30.715 3.864 1.820 35 HE1 HIS 5 HE1 HIS 5 33.065 6.959 3.456 36 H TYR 6 HN TYR 6 35.602 1.630 0.735 37 HA TYR 6 HA TYR 6 35.387 -0.543 -1.205 38 1HB TYR 6 HB2 TYR 6 37.688 0.399 0.513 39 2HB TYR 6 HB1 TYR 6 37.734 -0.970 -0.591 40 HD1 TYR 6 HD1 TYR 6 37.186 2.660 -0.440 41 HD2 TYR 6 HD2 TYR 6 38.277 -0.630 -2.866 42 HE1 TYR 6 HE1 TYR 6 37.833 4.229 -2.271 43 HE2 TYR 6 HE2 TYR 6 38.899 0.892 -4.697 44 HH TYR 6 HH TYR 6 38.299 3.203 -5.425 45 H GLU 7 HN GLU 7 35.626 0.481 2.116 46 HA GLU 7 HA GLU 7 35.189 -2.136 3.203 47 1HB GLU 7 HB2 GLU 7 35.083 0.656 4.386 48 2HB GLU 7 HB1 GLU 7 34.951 -0.827 5.321 49 1HG GLU 7 HG2 GLU 7 37.346 -0.107 3.648 50 2HG GLU 7 HG1 GLU 7 37.214 0.260 5.366 51 HA PRO 8 HA PRO 8 30.972 -1.970 2.064 52 1HB PRO 8 HB2 PRO 8 29.885 -3.602 3.880 53 2HB PRO 8 HB1 PRO 8 30.779 -4.176 2.462 54 1HG PRO 8 HG2 PRO 8 31.704 -3.859 5.301 55 2HG PRO 8 HG1 PRO 8 32.043 -5.180 4.164 56 1HD PRO 8 HD2 PRO 8 33.831 -3.272 4.658 57 2HD PRO 8 HD1 PRO 8 33.623 -3.973 3.032 58 H LEU 9 HN LEU 9 28.892 -1.475 2.680 59 HA LEU 9 HA LEU 9 28.622 0.264 5.052 60 1HB LEU 9 HB2 LEU 9 28.414 0.991 2.373 61 2HB LEU 9 HB1 LEU 9 26.821 0.486 2.745 62 HG LEU 9 HG LEU 9 27.064 2.926 2.962 63 1HD1 LEU 9 3HD1 LEU 9 26.371 1.525 5.536 64 2HD1 LEU 9 2HD1 LEU 9 25.919 3.175 5.107 65 3HD1 LEU 9 1HD1 LEU 9 25.284 1.816 4.181 66 1HD2 LEU 9 3HD2 LEU 9 29.353 2.971 3.791 67 2HD2 LEU 9 2HD2 LEU 9 28.263 3.860 4.855 68 3HD2 LEU 9 1HD2 LEU 9 28.816 2.247 5.309 69 H GLN 10 HN GLN 10 27.297 -0.761 6.446 70 HA GLN 10 HA GLN 10 25.421 -2.738 5.581 71 1HB GLN 10 HB2 GLN 10 26.094 -1.531 8.224 72 2HB GLN 10 HB1 GLN 10 24.712 -2.607 8.039 73 1HG GLN 10 HG2 GLN 10 26.160 -4.341 7.254 74 2HG GLN 10 HG1 GLN 10 27.554 -3.270 7.341 75 1HE2 GLN 10 1HE2 GLN 10 28.593 -4.608 8.752 76 2HE2 GLN 10 2HE2 GLN 10 28.163 -4.711 10.423 77 H VAL 11 HN VAL 11 23.910 -1.967 4.394 78 HA VAL 11 HA VAL 11 22.470 0.482 5.106 79 HB VAL 11 HB VAL 11 21.899 -1.286 2.773 80 1HG1 VAL 11 2HG1 VAL 11 21.454 1.636 3.192 81 2HG1 VAL 11 1HG1 VAL 11 21.124 0.742 1.701 82 3HG1 VAL 11 3HG1 VAL 11 20.257 0.334 3.179 83 1HG2 VAL 11 3HG2 VAL 11 24.249 -0.872 2.616 84 2HG2 VAL 11 2HG2 VAL 11 23.395 0.023 1.364 85 3HG2 VAL 11 1HG2 VAL 11 24.006 0.874 2.794 86 H HIS 12 HN HIS 12 20.645 0.243 6.225 87 HA HIS 12 HA HIS 12 19.266 -2.314 6.024 88 1HB HIS 12 HB2 HIS 12 19.669 -1.250 8.320 89 2HB HIS 12 HB1 HIS 12 18.534 0.007 7.840 90 HD1 HIS 12 HD1 HIS 12 18.677 -3.435 9.193 91 HD2 HIS 12 HD2 HIS 12 15.838 -0.941 7.453 92 HE1 HIS 12 HE1 HIS 12 16.446 -4.486 9.651 93 H VAL 13 HN VAL 13 18.225 -2.307 4.256 94 HA VAL 13 HA VAL 13 16.743 0.051 3.405 95 HB VAL 13 HB VAL 13 18.396 -0.680 1.771 96 1HG1 VAL 13 3HG1 VAL 13 18.605 -3.025 2.357 97 2HG1 VAL 13 2HG1 VAL 13 17.011 -3.327 1.661 98 3HG1 VAL 13 1HG1 VAL 13 18.335 -2.798 0.627 99 1HG2 VAL 13 1HG2 VAL 13 15.610 -1.320 0.919 100 2HG2 VAL 13 3HG2 VAL 13 16.367 0.279 0.905 101 3HG2 VAL 13 2HG2 VAL 13 16.957 -1.001 -0.174 102 H GLN 14 HN GLN 14 14.784 0.103 3.780 103 HA GLN 14 HA GLN 14 13.283 -2.312 4.315 104 1HB GLN 14 HB2 GLN 14 12.922 -0.321 5.746 105 2HB GLN 14 HB1 GLN 14 12.386 0.587 4.339 106 1HG GLN 14 HG2 GLN 14 10.502 -0.948 4.066 107 2HG GLN 14 HG1 GLN 14 11.034 -1.861 5.473 108 1HE2 GLN 14 1HE2 GLN 14 9.478 0.979 4.344 109 2HE2 GLN 14 2HE2 GLN 14 8.979 1.594 5.867 110 H LEU 15 HN LEU 15 12.211 -3.271 2.814 111 HA LEU 15 HA LEU 15 11.837 -1.892 0.260 112 1HB LEU 15 HB2 LEU 15 12.028 -4.863 0.810 113 2HB LEU 15 HB1 LEU 15 11.818 -4.136 -0.758 114 HG LEU 15 HG LEU 15 14.247 -3.934 1.000 115 1HD1 LEU 15 1HD1 LEU 15 13.765 -5.401 -1.575 116 2HD1 LEU 15 3HD1 LEU 15 15.321 -5.223 -0.767 117 3HD1 LEU 15 2HD1 LEU 15 14.019 -6.112 0.024 118 1HD2 LEU 15 2HD2 LEU 15 13.930 -1.880 -0.293 119 2HD2 LEU 15 1HD2 LEU 15 15.317 -2.793 -0.864 120 3HD2 LEU 15 3HD2 LEU 15 13.806 -2.831 -1.776 121 H GLU 16 HN GLU 16 9.842 -1.221 0.091 122 HA GLU 16 HA GLU 16 7.678 -2.664 1.407 123 1HB GLU 16 HB2 GLU 16 7.698 -0.087 -0.151 124 2HB GLU 16 HB1 GLU 16 6.259 -0.814 0.515 125 1HG GLU 16 HG2 GLU 16 7.207 -0.527 2.774 126 2HG GLU 16 HG1 GLU 16 8.601 0.292 2.058 127 H LYS 17 HN LYS 17 6.061 -3.613 0.305 128 HA LYS 17 HA LYS 17 6.264 -3.771 -2.632 129 1HB LYS 17 HB2 LYS 17 5.029 -5.754 -0.689 130 2HB LYS 17 HB1 LYS 17 5.106 -5.939 -2.425 131 1HG LYS 17 HG2 LYS 17 7.521 -5.889 -0.615 132 2HG LYS 17 HG1 LYS 17 6.722 -7.354 -1.178 133 1HD LYS 17 HD2 LYS 17 7.158 -6.679 -3.486 134 2HD LYS 17 HD1 LYS 17 8.045 -5.258 -2.907 135 1HE LYS 17 HE2 LYS 17 9.606 -7.021 -3.479 136 2HE LYS 17 HE1 LYS 17 9.597 -6.787 -1.736 137 1HZ LYS 17 HZ2 LYS 17 8.134 -8.959 -3.170 138 2HZ LYS 17 HZ1 LYS 17 9.578 -9.141 -2.337 139 3HZ LYS 17 HZ3 LYS 17 8.185 -8.739 -1.508 140 H VAL 18 HN VAL 18 4.636 -2.307 -3.318 141 HA VAL 18 HA VAL 18 2.469 -1.967 -1.394 142 HB VAL 18 HB VAL 18 2.822 -0.139 -3.775 143 1HG1 VAL 18 1HG1 VAL 18 0.757 0.020 -2.655 144 2HG1 VAL 18 3HG1 VAL 18 1.570 0.311 -1.117 145 3HG1 VAL 18 2HG1 VAL 18 1.708 1.488 -2.424 146 1HG2 VAL 18 3HG2 VAL 18 4.257 0.173 -1.126 147 2HG2 VAL 18 2HG2 VAL 18 4.992 -0.077 -2.721 148 3HG2 VAL 18 1HG2 VAL 18 4.129 1.412 -2.384 149 H TYR 19 HN TYR 19 0.596 -2.683 -1.849 150 HA TYR 19 HA TYR 19 0.196 -3.809 -4.512 151 1HB TYR 19 HB2 TYR 19 -1.205 -4.396 -1.913 152 2HB TYR 19 HB1 TYR 19 -1.422 -5.248 -3.439 153 HD1 TYR 19 HD1 TYR 19 0.244 -6.758 -4.247 154 HD2 TYR 19 HD2 TYR 19 0.782 -4.745 -0.568 155 HE1 TYR 19 HE1 TYR 19 2.038 -8.374 -3.625 156 HE2 TYR 19 HE2 TYR 19 2.538 -6.353 0.077 157 HH TYR 19 HH TYR 19 3.297 -8.389 -0.379 158 H LEU 20 HN LEU 20 -2.096 -3.704 -5.220 159 HA LEU 20 HA LEU 20 -3.045 -1.050 -5.259 160 1HB LEU 20 HB2 LEU 20 -4.603 -3.563 -5.765 161 2HB LEU 20 HB1 LEU 20 -5.107 -1.949 -6.207 162 HG LEU 20 HG LEU 20 -2.826 -3.523 -7.360 163 1HD1 LEU 20 3HD1 LEU 20 -5.036 -4.222 -8.028 164 2HD1 LEU 20 2HD1 LEU 20 -5.448 -2.571 -8.490 165 3HD1 LEU 20 1HD1 LEU 20 -4.198 -3.454 -9.380 166 1HD2 LEU 20 1HD2 LEU 20 -3.768 -0.725 -7.987 167 2HD2 LEU 20 3HD2 LEU 20 -2.251 -1.161 -7.202 168 3HD2 LEU 20 2HD2 LEU 20 -2.536 -1.624 -8.881 169 H ASP 21 HN ASP 21 -3.804 -3.796 -3.359 170 HA ASP 21 HA ASP 21 -6.207 -3.256 -2.102 171 1HB ASP 21 HB2 ASP 21 -4.947 -5.324 -1.753 172 2HB ASP 21 HB1 ASP 21 -3.736 -4.441 -0.838 173 H GLY 22 HN GLY 22 -3.032 -2.178 -1.116 174 1HA GLY 22 HA1 GLY 22 -4.322 -0.472 0.887 175 2HA GLY 22 HA2 GLY 22 -2.958 0.091 -0.085 176 H ASP 23 HN ASP 23 -3.268 -3.170 0.943 177 HA ASP 23 HA ASP 23 -1.505 -2.984 3.135 178 1HB ASP 23 HB2 ASP 23 -3.005 -4.943 2.813 179 2HB ASP 23 HB1 ASP 23 -2.101 -5.381 1.369 180 H VAL 24 HN VAL 24 0.627 -3.568 3.213 181 HA VAL 24 HA VAL 24 2.115 -3.781 0.776 182 HB VAL 24 HB VAL 24 2.166 -1.438 0.897 183 1HG1 VAL 24 2HG1 VAL 24 2.572 -1.701 3.859 184 2HG1 VAL 24 1HG1 VAL 24 2.525 -0.161 2.971 185 3HG1 VAL 24 3HG1 VAL 24 1.101 -1.214 3.008 186 1HG2 VAL 24 2HG2 VAL 24 4.580 -2.385 2.422 187 2HG2 VAL 24 1HG2 VAL 24 4.405 -2.287 0.671 188 3HG2 VAL 24 3HG2 VAL 24 4.430 -0.808 1.638 189 H SER 25 HN SER 25 3.585 -5.195 0.998 190 HA SER 25 HA SER 25 4.065 -6.369 3.581 191 1HB SER 25 HB2 SER 25 5.252 -7.031 0.873 192 2HB SER 25 HB1 SER 25 5.314 -8.036 2.320 193 HG SER 25 HG SER 25 2.867 -7.713 2.137 194 H ILE 26 HN ILE 26 5.505 -5.660 4.878 195 HA ILE 26 HA ILE 26 7.564 -3.863 3.920 196 HB ILE 26 HB ILE 26 6.739 -4.615 6.728 197 1HG1 ILE 26 2HG1 ILE 26 4.977 -3.393 5.606 198 2HG1 ILE 26 1HG1 ILE 26 5.723 -2.359 6.825 199 1HG2 ILE 26 3HG2 ILE 26 9.067 -3.896 6.663 200 2HG2 ILE 26 2HG2 ILE 26 8.595 -2.429 5.795 201 3HG2 ILE 26 1HG2 ILE 26 8.064 -2.680 7.459 202 1HD1 ILE 26 3HD1 ILE 26 6.993 -1.253 5.024 203 2HD1 ILE 26 2HD1 ILE 26 6.144 -2.280 3.860 204 3HD1 ILE 26 1HD1 ILE 26 5.238 -1.117 4.822 205 H GLU 27 HN GLU 27 9.446 -4.636 3.439 206 HA GLU 27 HA GLU 27 10.383 -7.092 4.732 207 1HB GLU 27 HB2 GLU 27 10.027 -7.151 2.279 208 2HB GLU 27 HB1 GLU 27 11.159 -5.821 2.121 209 1HG GLU 27 HG2 GLU 27 12.347 -7.809 1.583 210 2HG GLU 27 HG1 GLU 27 12.875 -7.298 3.175 211 H HIS 28 HN HIS 28 12.470 -7.058 5.494 212 HA HIS 28 HA HIS 28 13.767 -4.415 5.683 213 1HB HIS 28 HB2 HIS 28 13.699 -6.549 7.822 214 2HB HIS 28 HB1 HIS 28 14.632 -5.071 7.906 215 HD1 HIS 28 HD1 HIS 28 12.295 -5.995 9.934 216 HD2 HIS 28 HD2 HIS 28 12.055 -3.126 6.945 217 HE1 HIS 28 HE1 HIS 28 10.470 -4.424 10.627 218 H LYS 29 HN LYS 29 15.568 -4.534 4.529 219 HA LYS 29 HA LYS 29 17.062 -7.021 4.653 220 1HB LYS 29 HB2 LYS 29 16.544 -5.106 2.478 221 2HB LYS 29 HB1 LYS 29 18.070 -5.959 2.455 222 1HG LYS 29 HG2 LYS 29 16.063 -7.886 2.893 223 2HG LYS 29 HG1 LYS 29 15.450 -6.797 1.643 224 1HD LYS 29 HD2 LYS 29 18.160 -8.083 1.632 225 2HD LYS 29 HD1 LYS 29 16.768 -8.677 0.717 226 1HE LYS 29 HE2 LYS 29 16.707 -6.673 -0.580 227 2HE LYS 29 HE1 LYS 29 17.959 -5.918 0.403 228 1HZ LYS 29 HZ1 LYS 29 19.496 -7.606 -0.397 229 2HZ LYS 29 HZ3 LYS 29 18.302 -8.270 -1.398 230 3HZ LYS 29 HZ2 LYS 29 18.854 -6.687 -1.632 231 H HIS 30 HN HIS 30 19.082 -6.898 5.291 232 HA HIS 30 HA HIS 30 20.248 -4.240 5.378 233 1HB HIS 30 HB2 HIS 30 21.596 -4.869 7.387 234 2HB HIS 30 HB1 HIS 30 19.870 -4.847 7.702 235 HD1 HIS 30 HD1 HIS 30 22.771 -7.276 7.352 236 HD2 HIS 30 HD2 HIS 30 18.810 -7.205 8.602 237 HE1 HIS 30 HE1 HIS 30 22.381 -9.446 8.533 238 H GLU 31 HN GLU 31 21.741 -4.067 3.946 239 HA GLU 31 HA GLU 31 23.316 -6.462 3.438 240 1HB GLU 31 HB2 GLU 31 23.203 -6.132 1.041 241 2HB GLU 31 HB1 GLU 31 21.604 -6.289 1.758 242 1HG GLU 31 HG2 GLU 31 21.225 -3.931 1.566 243 2HG GLU 31 HG1 GLU 31 22.838 -3.715 0.873 244 H LYS 32 HN LYS 32 25.369 -6.170 2.846 245 HA LYS 32 HA LYS 32 26.402 -3.540 3.373 246 1HB LYS 32 HB2 LYS 32 27.632 -6.230 3.145 247 2HB LYS 32 HB1 LYS 32 28.626 -4.790 3.178 248 1HG LYS 32 HG2 LYS 32 27.533 -4.237 5.368 249 2HG LYS 32 HG1 LYS 32 26.784 -5.817 5.382 250 1HD LYS 32 HD2 LYS 32 29.720 -5.148 5.408 251 2HD LYS 32 HD1 LYS 32 28.777 -5.929 6.672 252 1HE LYS 32 HE2 LYS 32 29.316 -7.048 3.949 253 2HE LYS 32 HE1 LYS 32 30.242 -7.459 5.378 254 1HZ LYS 32 HZ3 LYS 32 27.306 -7.952 5.095 255 2HZ LYS 32 HZ2 LYS 32 28.468 -9.141 4.907 256 3HZ LYS 32 HZ1 LYS 32 28.255 -8.397 6.398 257 H VAL 33 HN VAL 33 27.089 -2.261 1.892 258 HA VAL 33 HA VAL 33 27.670 -3.347 -0.785 259 HB VAL 33 HB VAL 33 26.321 -1.958 -1.830 260 1HG1 VAL 33 3HG1 VAL 33 24.756 -2.958 -0.346 261 2HG1 VAL 33 2HG1 VAL 33 25.087 -1.665 0.825 262 3HG1 VAL 33 1HG1 VAL 33 24.265 -1.279 -0.683 263 1HG2 VAL 33 1HG2 VAL 33 27.514 0.096 -1.319 264 2HG2 VAL 33 3HG2 VAL 33 25.769 0.286 -1.418 265 3HG2 VAL 33 2HG2 VAL 33 26.564 0.283 0.177 266 H PHE 34 HN PHE 34 29.383 -2.416 -1.841 267 HA PHE 34 HA PHE 34 31.169 -0.993 -0.061 268 1HB PHE 34 HB2 PHE 34 31.606 -1.955 -2.884 269 2HB PHE 34 HB1 PHE 34 32.844 -1.455 -1.735 270 HD1 PHE 34 HD1 PHE 34 32.742 -2.872 0.576 271 HD2 PHE 34 HD2 PHE 34 31.343 -4.204 -3.223 272 HE1 PHE 34 HE1 PHE 34 32.986 -5.204 1.301 273 HE2 PHE 34 HE2 PHE 34 31.578 -6.538 -2.492 274 HZ PHE 34 HZ PHE 34 32.401 -7.039 -0.225 275 H SER 35 HN SER 35 29.616 -0.667 -3.279 276 HA SER 35 HA SER 35 30.217 2.139 -3.225 277 1HB SER 35 HB2 SER 35 29.481 0.228 -5.440 278 2HB SER 35 HB1 SER 35 29.877 1.936 -5.614 279 HG SER 35 HG SER 35 31.745 0.477 -4.247 280 H MET 36 HN MET 36 28.460 3.281 -2.619 281 HA MET 36 HA MET 36 25.885 2.160 -2.281 282 1HB MET 36 HB2 MET 36 26.940 4.956 -2.202 283 2HB MET 36 HB1 MET 36 25.207 4.696 -2.180 284 1HG MET 36 HG2 MET 36 26.501 2.993 -0.238 285 2HG MET 36 HG1 MET 36 26.981 4.697 -0.063 286 1HE MET 36 HE1 MET 36 23.648 3.625 -1.590 287 2HE MET 36 HE3 MET 36 23.615 2.363 -0.349 288 3HE MET 36 HE2 MET 36 22.499 3.761 -0.310 289 H ASP 37 HN ASP 37 27.473 3.716 -4.801 290 HA ASP 37 HA ASP 37 25.262 4.384 -6.457 291 1HB ASP 37 HB2 ASP 37 27.426 5.339 -6.930 292 2HB ASP 37 HB1 ASP 37 28.111 3.747 -7.202 293 H ASP 38 HN ASP 38 26.973 1.370 -5.992 294 HA ASP 38 HA ASP 38 25.678 0.103 -8.240 295 1HB ASP 38 HB2 ASP 38 27.903 -0.701 -7.225 296 2HB ASP 38 HB1 ASP 38 26.933 -1.318 -5.892 297 H PHE 39 HN PHE 39 25.140 0.487 -4.809 298 HA PHE 39 HA PHE 39 23.064 -1.294 -4.477 299 1HB PHE 39 HB2 PHE 39 24.161 -0.375 -2.585 300 2HB PHE 39 HB1 PHE 39 23.754 1.271 -3.052 301 HD1 PHE 39 HD1 PHE 39 22.507 -1.837 -1.527 302 HD2 PHE 39 HD2 PHE 39 21.559 2.123 -2.683 303 HE1 PHE 39 HE1 PHE 39 20.483 -1.929 -0.137 304 HE2 PHE 39 HE2 PHE 39 19.523 2.049 -1.298 305 HZ PHE 39 HZ PHE 39 18.985 0.025 -0.027 306 H TRP 40 HN TRP 40 23.200 2.159 -5.337 307 HA TRP 40 HA TRP 40 20.439 2.619 -5.557 308 1HB TRP 40 HB2 TRP 40 22.677 4.056 -7.007 309 2HB TRP 40 HB1 TRP 40 21.019 4.625 -6.886 310 HD1 TRP 40 HD1 TRP 40 24.080 5.625 -5.548 311 HE1 TRP 40 HE1 TRP 40 23.975 6.470 -3.125 312 HE3 TRP 40 HE3 TRP 40 19.509 3.754 -4.258 313 HZ2 TRP 40 HZ2 TRP 40 22.155 6.377 -0.972 314 HZ3 TRP 40 HZ3 TRP 40 18.665 4.183 -2.015 315 HH2 TRP 40 HH2 TRP 40 19.939 5.462 -0.412 316 H ALA 41 HN ALA 41 22.788 1.499 -7.818 317 HA ALA 41 HA ALA 41 21.050 1.486 -10.082 318 1HB ALA 41 HB2 ALA 41 22.713 0.065 -11.150 319 2HB ALA 41 HB1 ALA 41 23.514 1.379 -10.288 320 3HB ALA 41 HB3 ALA 41 23.480 -0.238 -9.589 321 H ALA 42 HN ALA 42 21.693 -0.746 -7.528 322 HA ALA 42 HA ALA 42 20.432 -3.008 -8.627 323 1HB ALA 42 HB1 ALA 42 20.761 -2.311 -5.712 324 2HB ALA 42 HB2 ALA 42 22.008 -3.035 -6.694 325 3HB ALA 42 HB3 ALA 42 20.508 -3.926 -6.382 326 H TYR 43 HN TYR 43 19.207 -0.343 -6.600 327 HA TYR 43 HA TYR 43 16.514 -1.500 -6.859 328 1HB TYR 43 HB2 TYR 43 17.608 0.404 -4.794 329 2HB TYR 43 HB1 TYR 43 15.957 -0.194 -4.861 330 HD1 TYR 43 HD1 TYR 43 15.444 -2.519 -4.397 331 HD2 TYR 43 HD2 TYR 43 19.398 -1.027 -4.045 332 HE1 TYR 43 HE1 TYR 43 16.097 -4.551 -3.202 333 HE2 TYR 43 HE2 TYR 43 20.059 -3.053 -2.843 334 HH TYR 43 HH TYR 43 19.126 -4.789 -1.630 335 H ALA 44 HN ALA 44 18.172 0.461 -8.622 336 HA ALA 44 HA ALA 44 17.102 2.917 -8.729 337 1HB ALA 44 HB1 ALA 44 18.866 2.098 -10.199 338 2HB ALA 44 HB3 ALA 44 17.677 1.176 -11.116 339 3HB ALA 44 HB2 ALA 44 17.603 2.937 -11.102 340 H GLY 45 HN GLY 45 15.520 -0.022 -9.812 341 1HA GLY 45 HA1 GLY 45 13.412 -0.433 -10.664 342 2HA GLY 45 HA2 GLY 45 13.352 1.247 -11.178 343 H TRP 46 HN TRP 46 13.830 0.144 -7.864 344 HA TRP 46 HA TRP 46 11.192 0.362 -6.926 345 1HB TRP 46 HB2 TRP 46 13.828 0.699 -5.483 346 2HB TRP 46 HB1 TRP 46 12.267 0.419 -4.734 347 HD1 TRP 46 HD1 TRP 46 14.520 -1.470 -7.286 348 HE1 TRP 46 HE1 TRP 46 14.439 -3.968 -6.683 349 HE3 TRP 46 HE3 TRP 46 11.339 -1.216 -3.331 350 HZ2 TRP 46 HZ2 TRP 46 13.189 -5.602 -4.778 351 HZ3 TRP 46 HZ3 TRP 46 10.748 -3.276 -2.173 352 HH2 TRP 46 HH2 TRP 46 11.659 -5.426 -2.882 353 H THR 47 HN THR 47 10.319 2.122 -5.631 354 HA THR 47 HA THR 47 11.192 4.727 -6.447 355 HB THR 47 HB THR 47 8.984 3.797 -4.629 356 HG1 THR 47 HG1 THR 47 9.294 3.729 -7.304 357 1HG2 THR 47 1HG2 THR 47 9.418 6.428 -6.029 358 2HG2 THR 47 3HG2 THR 47 7.988 5.984 -5.080 359 3HG2 THR 47 2HG2 THR 47 9.566 6.107 -4.292 360 H LEU 48 HN LEU 48 12.728 5.719 -5.280 361 HA LEU 48 HA LEU 48 13.443 4.894 -2.634 362 1HB LEU 48 HB2 LEU 48 15.058 5.763 -4.377 363 2HB LEU 48 HB1 LEU 48 14.297 7.323 -4.232 364 HG LEU 48 HG LEU 48 16.561 7.040 -3.116 365 1HD1 LEU 48 1HD1 LEU 48 15.166 8.922 -2.535 366 2HD1 LEU 48 3HD1 LEU 48 14.339 7.939 -1.313 367 3HD1 LEU 48 2HD1 LEU 48 16.064 8.292 -1.152 368 1HD2 LEU 48 3HD2 LEU 48 14.960 5.452 -1.134 369 2HD2 LEU 48 2HD2 LEU 48 16.270 4.848 -2.157 370 3HD2 LEU 48 1HD2 LEU 48 16.601 6.044 -0.904 371 H VAL 49 HN VAL 49 12.199 5.419 -0.972 372 HA VAL 49 HA VAL 49 10.517 7.764 -1.220 373 HB VAL 49 HB VAL 49 10.441 5.588 0.940 374 1HG1 VAL 49 1HG1 VAL 49 8.593 7.897 0.445 375 2HG1 VAL 49 3HG1 VAL 49 8.339 6.570 1.590 376 3HG1 VAL 49 2HG1 VAL 49 9.697 7.673 1.814 377 1HG2 VAL 49 3HG2 VAL 49 9.802 4.822 -1.276 378 2HG2 VAL 49 2HG2 VAL 49 8.420 4.890 -0.179 379 3HG2 VAL 49 1HG2 VAL 49 8.642 6.144 -1.401 380 H GLU 50 HN GLU 50 13.027 6.467 0.922 381 HA GLU 50 HA GLU 50 13.947 9.128 1.306 382 1HB GLU 50 HB2 GLU 50 13.781 9.210 3.740 383 2HB GLU 50 HB1 GLU 50 12.182 9.040 3.044 384 1HG GLU 50 HG2 GLU 50 12.113 6.755 3.605 385 2HG GLU 50 HG1 GLU 50 13.790 6.770 4.163 386 H GLN 51 HN GLN 51 16.013 9.148 2.260 387 HA GLN 51 HA GLN 51 17.146 6.644 3.086 388 1HB GLN 51 HB2 GLN 51 19.129 6.987 1.686 389 2HB GLN 51 HB1 GLN 51 17.638 6.707 0.786 390 1HG GLN 51 HG2 GLN 51 17.491 8.999 0.168 391 2HG GLN 51 HG1 GLN 51 18.835 9.416 1.234 392 1HE2 GLN 51 1HE2 GLN 51 17.933 7.714 -1.592 393 2HE2 GLN 51 2HE2 GLN 51 19.520 7.572 -2.289 394 H LYS 52 HN LYS 52 18.539 6.830 4.628 395 HA LYS 52 HA LYS 52 19.734 9.400 5.249 396 1HB LYS 52 HB2 LYS 52 19.370 8.762 7.716 397 2HB LYS 52 HB1 LYS 52 17.942 9.280 6.833 398 1HG LYS 52 HG2 LYS 52 17.252 7.045 6.521 399 2HG LYS 52 HG1 LYS 52 18.644 6.374 7.329 400 1HD LYS 52 HD2 LYS 52 17.057 6.268 8.995 401 2HD LYS 52 HD1 LYS 52 17.790 7.824 9.344 402 1HE LYS 52 HE2 LYS 52 15.451 7.492 7.597 403 2HE LYS 52 HE1 LYS 52 15.234 7.659 9.348 404 1HZ LYS 52 HZ3 LYS 52 16.446 9.868 9.072 405 2HZ LYS 52 HZ2 LYS 52 16.292 9.657 7.394 406 3HZ LYS 52 HZ1 LYS 52 14.938 9.810 8.332 407 H LYS 53 HN LYS 53 21.770 9.009 6.553 408 HA LYS 53 HA LYS 53 23.214 6.938 5.266 409 1HB LYS 53 HB2 LYS 53 24.088 9.205 6.266 410 2HB LYS 53 HB1 LYS 53 24.199 8.317 7.772 411 1HG LYS 53 HG2 LYS 53 25.615 7.511 5.220 412 2HG LYS 53 HG1 LYS 53 26.345 8.470 6.496 413 1HD LYS 53 HD2 LYS 53 26.216 6.647 8.036 414 2HD LYS 53 HD1 LYS 53 25.210 5.710 6.926 415 1HE LYS 53 HE2 LYS 53 27.497 4.879 6.901 416 2HE LYS 53 HE1 LYS 53 27.051 5.594 5.356 417 1HZ LYS 53 HZ1 LYS 53 28.658 7.020 7.428 418 2HZ LYS 53 HZ3 LYS 53 29.300 6.169 6.140 419 3HZ LYS 53 HZ2 LYS 53 28.376 7.522 5.842 420 H GLY 54 HN GLY 54 22.711 4.910 5.635 421 1HA GLY 54 HA1 GLY 54 22.448 4.011 8.427 422 2HA GLY 54 HA2 GLY 54 23.375 3.112 7.230 423 H TYR 55 HN TYR 55 20.221 4.717 6.695 424 HA TYR 55 HA TYR 55 19.088 2.100 6.176 425 1HB TYR 55 HB2 TYR 55 18.211 2.488 8.282 426 2HB TYR 55 HB1 TYR 55 18.220 4.221 8.093 427 HD1 TYR 55 HD1 TYR 55 16.227 1.172 7.517 428 HD2 TYR 55 HD2 TYR 55 16.484 5.335 7.024 429 HE1 TYR 55 HE1 TYR 55 13.797 1.240 7.028 430 HE2 TYR 55 HE2 TYR 55 14.091 5.486 6.535 431 HH TYR 55 HH TYR 55 11.929 2.929 7.116 432 H VAL 56 HN VAL 56 17.864 2.023 4.426 433 HA VAL 56 HA VAL 56 17.155 4.516 3.084 434 HB VAL 56 HB VAL 56 18.360 2.027 1.799 435 1HG1 VAL 56 2HG1 VAL 56 16.527 2.895 0.445 436 2HG1 VAL 56 1HG1 VAL 56 17.256 4.499 0.494 437 3HG1 VAL 56 3HG1 VAL 56 18.091 3.179 -0.323 438 1HG2 VAL 56 1HG2 VAL 56 19.987 3.607 2.781 439 2HG2 VAL 56 3HG2 VAL 56 20.097 3.525 1.021 440 3HG2 VAL 56 2HG2 VAL 56 19.293 4.891 1.773 441 H LEU 57 HN LEU 57 15.103 4.524 2.254 442 HA LEU 57 HA LEU 57 13.580 2.063 2.565 443 1HB LEU 57 HB2 LEU 57 12.697 3.489 4.137 444 2HB LEU 57 HB1 LEU 57 12.964 4.909 3.149 445 HG LEU 57 HG LEU 57 11.122 4.222 1.712 446 1HD1 LEU 57 2HD1 LEU 57 11.129 1.936 1.945 447 2HD1 LEU 57 1HD1 LEU 57 10.565 2.051 3.640 448 3HD1 LEU 57 3HD1 LEU 57 9.561 2.676 2.304 449 1HD2 LEU 57 1HD2 LEU 57 10.458 4.579 4.616 450 2HD2 LEU 57 3HD2 LEU 57 10.551 5.830 3.366 451 3HD2 LEU 57 2HD2 LEU 57 9.279 4.635 3.312 452 H PHE 58 HN PHE 58 13.035 1.157 0.789 453 HA PHE 58 HA PHE 58 12.373 2.721 -1.634 454 1HB PHE 58 HB2 PHE 58 13.891 0.168 -1.294 455 2HB PHE 58 HB1 PHE 58 12.907 0.395 -2.726 456 HD1 PHE 58 HD1 PHE 58 16.026 1.064 -1.143 457 HD2 PHE 58 HD2 PHE 58 13.383 2.339 -4.185 458 HE1 PHE 58 HE1 PHE 58 17.875 2.242 -2.260 459 HE2 PHE 58 HE2 PHE 58 15.209 3.540 -5.293 460 HZ PHE 58 HZ PHE 58 17.463 3.488 -4.340 461 H ARG 59 HN ARG 59 10.659 2.020 -2.834 462 HA ARG 59 HA ARG 59 9.168 -0.253 -1.774 463 1HB ARG 59 HB2 ARG 59 7.020 0.896 -2.234 464 2HB ARG 59 HB1 ARG 59 7.972 1.715 -1.000 465 1HG ARG 59 HG2 ARG 59 8.626 3.385 -2.614 466 2HG ARG 59 HG1 ARG 59 7.737 2.497 -3.869 467 1HD ARG 59 HD2 ARG 59 6.535 4.438 -2.912 468 2HD ARG 59 HD1 ARG 59 5.660 2.909 -2.808 469 HE ARG 59 HE ARG 59 6.982 3.068 -0.426 470 1HH1 ARG 59 1HH1 ARG 59 4.781 5.284 -2.070 471 2HH1 ARG 59 2HH1 ARG 59 4.098 5.864 -0.629 472 1HH2 ARG 59 1HH2 ARG 59 6.092 3.786 1.435 473 2HH2 ARG 59 2HH2 ARG 59 4.879 5.003 1.498 474 H LYS 60 HN LYS 60 8.274 -1.537 -3.223 475 HA LYS 60 HA LYS 60 8.455 -0.825 -6.054 476 1HB LYS 60 HB2 LYS 60 10.192 -2.400 -5.557 477 2HB LYS 60 HB1 LYS 60 9.087 -3.449 -4.673 478 1HG LYS 60 HG2 LYS 60 9.426 -4.500 -6.735 479 2HG LYS 60 HG1 LYS 60 7.887 -3.668 -6.947 480 1HD LYS 60 HD2 LYS 60 9.189 -3.281 -8.924 481 2HD LYS 60 HD1 LYS 60 9.175 -1.781 -8.000 482 1HE LYS 60 HE2 LYS 60 11.356 -2.024 -7.268 483 2HE LYS 60 HE1 LYS 60 11.459 -3.714 -7.649 484 1HZ LYS 60 HZ1 LYS 60 11.222 -3.133 -9.996 485 2HZ LYS 60 HZ3 LYS 60 11.269 -1.497 -9.631 486 3HZ LYS 60 HZ2 LYS 60 12.620 -2.519 -9.332 487 H GLN 61 HN GLN 61 6.477 -1.017 -6.972 488 HA GLN 61 HA GLN 61 4.526 -2.468 -5.398 489 1HB GLN 61 HB2 GLN 61 2.878 -0.672 -5.927 490 2HB GLN 61 HB1 GLN 61 4.248 -0.266 -4.885 491 1HG GLN 61 HG2 GLN 61 5.371 0.748 -6.699 492 2HG GLN 61 HG1 GLN 61 3.955 0.405 -7.734 493 1HE2 GLN 61 1HE2 GLN 61 5.241 2.228 -5.138 494 2HE2 GLN 61 2HE2 GLN 61 3.995 3.412 -5.000 495 H MET 62 HN MET 62 2.689 -3.246 -6.408 496 HA MET 62 HA MET 62 3.153 -3.880 -9.244 497 1HB MET 62 HB2 MET 62 2.062 -5.760 -7.126 498 2HB MET 62 HB1 MET 62 2.263 -6.139 -8.823 499 1HG MET 62 HG2 MET 62 4.039 -7.205 -7.715 500 2HG MET 62 HG1 MET 62 4.749 -5.786 -8.473 501 1HE MET 62 HE2 MET 62 6.889 -5.969 -7.044 502 2HE MET 62 HE1 MET 62 6.944 -6.020 -5.286 503 3HE MET 62 HE3 MET 62 6.309 -7.396 -6.183 504 H ASP 63 HN ASP 63 1.105 -4.782 -10.264 505 HA ASP 63 HA ASP 63 -1.155 -3.087 -9.544 506 1HB ASP 63 HB2 ASP 63 -2.017 -3.591 -11.761 507 2HB ASP 63 HB1 ASP 63 -0.326 -3.129 -11.898 508 H ASP 64 HN ASP 64 -0.274 -5.595 -8.214 509 HA ASP 64 HA ASP 64 -2.765 -7.130 -8.438 510 1HB ASP 64 HB2 ASP 64 -0.824 -8.565 -8.766 511 2HB ASP 64 HB1 ASP 64 -0.058 -7.917 -7.324 512 H ILE 65 HN ILE 65 -3.675 -7.861 -6.375 513 HA ILE 65 HA ILE 65 -3.577 -5.629 -4.526 514 HB ILE 65 HB ILE 65 -5.612 -6.659 -3.477 515 1HG1 ILE 65 2HG1 ILE 65 -5.526 -8.458 -5.906 516 2HG1 ILE 65 1HG1 ILE 65 -5.219 -8.988 -4.257 517 1HG2 ILE 65 2HG2 ILE 65 -5.701 -5.885 -6.379 518 2HG2 ILE 65 1HG2 ILE 65 -7.119 -6.025 -5.333 519 3HG2 ILE 65 3HG2 ILE 65 -5.871 -4.845 -4.959 520 1HD1 ILE 65 1HD1 ILE 65 -7.524 -8.380 -3.661 521 2HD1 ILE 65 3HD1 ILE 65 -7.812 -7.875 -5.326 522 3HD1 ILE 65 2HD1 ILE 65 -7.467 -9.565 -4.965 523 H SER 66 HN SER 66 -2.096 -8.574 -4.734 524 HA SER 66 HA SER 66 -0.540 -9.472 -3.337 525 1HB SER 66 HB2 SER 66 -0.483 -9.318 -0.909 526 2HB SER 66 HB1 SER 66 -0.918 -7.716 -1.475 527 HG SER 66 HG SER 66 -3.024 -8.073 -0.887 528 HA PRO 67 HA PRO 67 -2.543 -13.348 -3.270 529 1HB PRO 67 HB2 PRO 67 -1.090 -14.745 -1.381 530 2HB PRO 67 HB1 PRO 67 -0.553 -14.484 -3.041 531 1HG PRO 67 HG2 PRO 67 0.205 -13.014 -0.553 532 2HG PRO 67 HG1 PRO 67 1.217 -13.510 -1.920 533 1HD PRO 67 HD2 PRO 67 0.360 -10.985 -1.625 534 2HD PRO 67 HD1 PRO 67 0.556 -11.723 -3.222 535 H LEU 68 HN LEU 68 -1.940 -11.793 -0.189 536 HA LEU 68 HA LEU 68 -3.771 -13.332 1.325 537 1HB LEU 68 HB2 LEU 68 -1.725 -11.807 2.024 538 2HB LEU 68 HB1 LEU 68 -2.937 -10.552 2.055 539 HG LEU 68 HG LEU 68 -2.444 -11.445 4.293 540 1HD1 LEU 68 2HD1 LEU 68 -4.663 -10.521 3.926 541 2HD1 LEU 68 1HD1 LEU 68 -5.239 -12.110 3.417 542 3HD1 LEU 68 3HD1 LEU 68 -4.704 -11.860 5.074 543 1HD2 LEU 68 3HD2 LEU 68 -1.874 -13.717 3.629 544 2HD2 LEU 68 2HD2 LEU 68 -3.082 -13.705 4.920 545 3HD2 LEU 68 1HD2 LEU 68 -3.563 -14.039 3.254 546 H SER 69 HN SER 69 -4.004 -10.271 -0.495 547 HA SER 69 HA SER 69 -6.553 -9.698 0.438 548 1HB SER 69 HB2 SER 69 -5.234 -8.837 -2.119 549 2HB SER 69 HB1 SER 69 -6.711 -8.130 -1.447 550 HG SER 69 HG SER 69 -5.545 -7.031 -0.124 551 H LYS 70 HN LYS 70 -5.617 -12.058 -1.950 552 HA LYS 70 HA LYS 70 -8.369 -12.257 -2.752 553 1HB LYS 70 HB2 LYS 70 -5.992 -13.951 -3.517 554 2HB LYS 70 HB1 LYS 70 -7.628 -14.460 -3.877 555 1HG LYS 70 HG2 LYS 70 -6.994 -13.433 -5.852 556 2HG LYS 70 HG1 LYS 70 -7.871 -12.155 -5.026 557 1HD LYS 70 HD2 LYS 70 -5.937 -11.148 -5.921 558 2HD LYS 70 HD1 LYS 70 -5.607 -11.350 -4.201 559 1HE LYS 70 HE2 LYS 70 -4.326 -13.351 -4.647 560 2HE LYS 70 HE1 LYS 70 -4.705 -13.246 -6.363 561 1HZ LYS 70 HZ3 LYS 70 -3.419 -11.126 -6.426 562 2HZ LYS 70 HZ2 LYS 70 -3.135 -11.291 -4.791 563 3HZ LYS 70 HZ1 LYS 70 -2.487 -12.409 -5.861 564 H VAL 71 HN VAL 71 -6.866 -13.101 0.001 565 HA VAL 71 HA VAL 71 -8.783 -15.279 0.428 566 HB VAL 71 HB VAL 71 -7.507 -16.124 2.202 567 1HG1 VAL 71 3HG1 VAL 71 -6.297 -16.459 0.162 568 2HG1 VAL 71 2HG1 VAL 71 -5.439 -14.938 0.429 569 3HG1 VAL 71 1HG1 VAL 71 -5.184 -16.287 1.531 570 1HG2 VAL 71 3HG2 VAL 71 -6.075 -13.509 2.457 571 2HG2 VAL 71 2HG2 VAL 71 -7.308 -14.119 3.558 572 3HG2 VAL 71 1HG2 VAL 71 -5.741 -14.936 3.444 573 H ASN 72 HN ASN 72 -7.814 -12.136 1.327 574 HA ASN 72 HA ASN 72 -9.910 -11.819 3.332 575 1HB ASN 72 HB2 ASN 72 -7.704 -10.850 3.803 576 2HB ASN 72 HB1 ASN 72 -7.783 -9.887 2.342 577 1HD2 ASN 72 1HD2 ASN 72 -7.651 -7.881 3.314 578 2HD2 ASN 72 2HD2 ASN 72 -8.875 -7.277 4.361 579 H GLY 73 HN GLY 73 -8.961 -9.381 0.904 580 1HA GLY 73 HA1 GLY 73 -11.259 -9.654 -0.714 581 2HA GLY 73 HA2 GLY 73 -10.128 -8.317 -0.737 582 H TYR 74 HN TYR 74 -10.559 -7.543 2.047 583 HA TYR 74 HA TYR 74 -13.378 -6.874 2.053 584 1HB TYR 74 HB2 TYR 74 -11.472 -7.484 4.270 585 2HB TYR 74 HB1 TYR 74 -12.777 -6.347 4.557 586 HD1 TYR 74 HD1 TYR 74 -14.802 -7.137 5.280 587 HD2 TYR 74 HD2 TYR 74 -12.193 -9.804 3.260 588 HE1 TYR 74 HE1 TYR 74 -16.327 -8.971 5.779 589 HE2 TYR 74 HE2 TYR 74 -13.709 -11.665 3.747 590 HH TYR 74 HH TYR 74 -15.410 -12.222 5.372 591 H ILE 75 HN ILE 75 -13.570 -5.111 1.246 592 HA ILE 75 HA ILE 75 -11.811 -2.878 1.857 593 HB ILE 75 HB ILE 75 -13.945 -3.506 -0.068 594 1HG1 ILE 75 2HG1 ILE 75 -11.160 -2.541 -0.531 595 2HG1 ILE 75 1HG1 ILE 75 -11.673 -4.229 -0.490 596 1HG2 ILE 75 1HG2 ILE 75 -14.338 -1.127 0.628 597 2HG2 ILE 75 3HG2 ILE 75 -12.640 -0.754 0.328 598 3HG2 ILE 75 2HG2 ILE 75 -13.706 -1.144 -1.020 599 1HD1 ILE 75 2HD1 ILE 75 -13.139 -3.750 -2.447 600 2HD1 ILE 75 1HD1 ILE 75 -12.563 -2.098 -2.446 601 3HD1 ILE 75 3HD1 ILE 75 -11.443 -3.407 -2.799 602 H GLY 76 HN GLY 76 -12.470 -1.494 3.363 603 1HA GLY 76 HA1 GLY 76 -14.046 -1.687 5.315 604 2HA GLY 76 HA2 GLY 76 -15.309 -1.591 4.100 605 H VAL 77 HN VAL 77 -16.253 0.276 4.417 606 HA VAL 77 HA VAL 77 -14.397 2.479 4.600 607 HB VAL 77 HB VAL 77 -15.940 4.044 3.791 608 1HG1 VAL 77 3HG1 VAL 77 -15.918 1.689 1.966 609 2HG1 VAL 77 2HG1 VAL 77 -16.346 3.350 1.514 610 3HG1 VAL 77 1HG1 VAL 77 -14.730 2.984 2.118 611 1HG2 VAL 77 2HG2 VAL 77 -17.992 1.864 3.779 612 2HG2 VAL 77 1HG2 VAL 77 -17.939 3.348 4.743 613 3HG2 VAL 77 3HG2 VAL 77 -18.213 3.451 2.997 614 H SER 78 HN SER 78 -14.635 3.960 6.000 615 HA SER 78 HA SER 78 -16.188 3.202 8.333 616 1HB SER 78 HB2 SER 78 -14.279 5.537 7.967 617 2HB SER 78 HB1 SER 78 -14.842 4.845 9.491 618 HG SER 78 HG SER 78 -13.874 2.830 8.434 619 H ASP 79 HN ASP 79 -17.452 5.116 9.282 620 HA ASP 79 HA ASP 79 -19.549 5.761 7.617 621 1HB ASP 79 HB2 ASP 79 -19.620 5.871 10.085 622 2HB ASP 79 HB1 ASP 79 -18.682 7.354 10.029 623 H ASN 80 HN ASN 80 -16.596 7.551 7.963 624 HA ASN 80 HA ASN 80 -17.564 9.959 6.661 625 1HB ASN 80 HB2 ASN 80 -14.816 9.078 7.545 626 2HB ASN 80 HB1 ASN 80 -15.045 10.563 6.617 627 1HD2 ASN 80 1HD2 ASN 80 -16.908 9.141 9.134 628 2HD2 ASN 80 2HD2 ASN 80 -16.753 10.408 10.301 629 H GLY 81 HN GLY 81 -17.261 7.072 5.372 630 1HA GLY 81 HA1 GLY 81 -16.819 7.990 2.723 631 2HA GLY 81 HA2 GLY 81 -17.059 6.325 3.256 632 H VAL 82 HN VAL 82 -15.062 6.241 5.102 633 HA VAL 82 HA VAL 82 -12.579 6.979 3.850 634 HB VAL 82 HB VAL 82 -12.913 5.170 6.252 635 1HG1 VAL 82 2HG1 VAL 82 -10.680 6.968 5.344 636 2HG1 VAL 82 1HG1 VAL 82 -10.694 6.061 6.858 637 3HG1 VAL 82 3HG1 VAL 82 -10.694 5.205 5.316 638 1HG2 VAL 82 2HG2 VAL 82 -14.187 7.285 6.651 639 2HG2 VAL 82 1HG2 VAL 82 -12.775 7.161 7.698 640 3HG2 VAL 82 3HG2 VAL 82 -12.734 8.192 6.279 641 H ILE 83 HN ILE 83 -11.646 5.829 2.455 642 HA ILE 83 HA ILE 83 -12.798 3.383 1.443 643 HB ILE 83 HB ILE 83 -10.589 5.072 0.177 644 1HG1 ILE 83 2HG1 ILE 83 -12.504 6.466 0.532 645 2HG1 ILE 83 1HG1 ILE 83 -12.479 6.017 -1.173 646 1HG2 ILE 83 2HG2 ILE 83 -12.516 3.076 -1.066 647 2HG2 ILE 83 1HG2 ILE 83 -11.333 4.045 -1.953 648 3HG2 ILE 83 3HG2 ILE 83 -10.797 2.802 -0.814 649 1HD1 ILE 83 1HD1 ILE 83 -14.145 4.759 0.969 650 2HD1 ILE 83 3HD1 ILE 83 -14.741 5.910 -0.235 651 3HD1 ILE 83 2HD1 ILE 83 -14.171 4.306 -0.733 652 H SER 84 HN SER 84 -11.641 2.619 3.696 653 HA SER 84 HA SER 84 -8.822 1.962 3.079 654 1HB SER 84 HB2 SER 84 -10.328 1.827 5.691 655 2HB SER 84 HB1 SER 84 -8.623 1.440 5.479 656 HG SER 84 HG SER 84 -8.179 3.420 5.520 657 H THR 85 HN THR 85 -8.061 -0.179 3.177 658 HA THR 85 HA THR 85 -10.157 -2.150 3.112 659 HB THR 85 HB THR 85 -8.333 -3.774 2.536 660 HG1 THR 85 HG1 THR 85 -6.304 -3.006 2.075 661 1HG2 THR 85 1HG2 THR 85 -8.560 -1.323 0.785 662 2HG2 THR 85 3HG2 THR 85 -7.938 -2.892 0.271 663 3HG2 THR 85 2HG2 THR 85 -9.621 -2.729 0.780 664 H PHE 86 HN PHE 86 -10.150 -3.963 4.468 665 HA PHE 86 HA PHE 86 -8.627 -3.541 6.857 666 1HB PHE 86 HB2 PHE 86 -11.608 -3.984 6.732 667 2HB PHE 86 HB1 PHE 86 -10.689 -4.307 8.186 668 HD1 PHE 86 HD1 PHE 86 -11.563 -1.646 5.790 669 HD2 PHE 86 HD2 PHE 86 -10.252 -2.621 9.682 670 HE1 PHE 86 HE1 PHE 86 -11.931 0.704 6.486 671 HE2 PHE 86 HE2 PHE 86 -10.590 -0.283 10.408 672 HZ PHE 86 HZ PHE 86 -11.431 1.382 8.802 673 H HIS 87 HN HIS 87 -8.538 -5.609 8.137 674 HA HIS 87 HA HIS 87 -8.855 -7.922 6.407 675 1HB HIS 87 HB2 HIS 87 -7.372 -7.515 9.004 676 2HB HIS 87 HB1 HIS 87 -7.733 -9.129 8.395 677 HD1 HIS 87 HD1 HIS 87 -5.204 -6.443 8.097 678 HD2 HIS 87 HD2 HIS 87 -6.563 -9.654 5.821 679 HE1 HIS 87 HE1 HIS 87 -3.458 -6.870 6.369 680 H GLY 88 HN GLY 88 -10.831 -8.579 6.374 681 1HA GLY 88 HA1 GLY 88 -12.119 -9.396 8.836 682 2HA GLY 88 HA2 GLY 88 -12.712 -9.652 7.192 683 H ARG 89 HN ARG 89 -14.329 -8.773 9.270 684 HA ARG 89 HA ARG 89 -15.780 -6.692 8.239 685 1HB ARG 89 HB2 ARG 89 -15.539 -7.502 11.134 686 2HB ARG 89 HB1 ARG 89 -16.768 -6.429 10.499 687 1HG ARG 89 HG2 ARG 89 -16.396 -9.296 9.664 688 2HG ARG 89 HG1 ARG 89 -17.562 -8.729 10.861 689 1HD ARG 89 HD2 ARG 89 -18.645 -7.361 9.169 690 2HD ARG 89 HD1 ARG 89 -17.453 -7.872 7.978 691 HE ARG 89 HE ARG 89 -19.078 -9.890 9.295 692 1HH1 ARG 89 1HH1 ARG 89 -18.390 -7.998 6.359 693 2HH1 ARG 89 2HH1 ARG 89 -19.230 -9.048 5.319 694 1HH2 ARG 89 1HH2 ARG 89 -20.259 -11.333 7.809 695 2HH2 ARG 89 2HH2 ARG 89 -20.297 -10.968 6.148 696 HA PRO 90 HA PRO 90 -13.266 -3.155 9.303 697 1HB PRO 90 HB2 PRO 90 -14.943 -1.315 8.154 698 2HB PRO 90 HB1 PRO 90 -13.720 -2.230 7.271 699 1HG PRO 90 HG2 PRO 90 -16.659 -2.592 7.334 700 2HG PRO 90 HG1 PRO 90 -15.504 -3.009 6.069 701 1HD PRO 90 HD2 PRO 90 -16.676 -4.776 7.875 702 2HD PRO 90 HD1 PRO 90 -15.267 -5.120 6.864 703 H GLU 91 HN GLU 91 -13.572 -3.220 11.439 704 HA GLU 91 HA GLU 91 -15.664 -1.526 12.516 705 1HB GLU 91 HB2 GLU 91 -16.075 -3.227 14.324 706 2HB GLU 91 HB1 GLU 91 -16.485 -3.822 12.732 707 1HG GLU 91 HG2 GLU 91 -14.361 -5.034 12.646 708 2HG GLU 91 HG1 GLU 91 -13.994 -4.438 14.267 709 HA PRO 92 HA PRO 92 -12.284 0.147 14.840 710 1HB PRO 92 HB2 PRO 92 -13.190 0.179 17.441 711 2HB PRO 92 HB1 PRO 92 -13.589 1.421 16.238 712 1HG PRO 92 HG2 PRO 92 -15.186 -0.872 17.247 713 2HG PRO 92 HG1 PRO 92 -15.735 0.717 16.697 714 1HD PRO 92 HD2 PRO 92 -15.909 -1.593 15.240 715 2HD PRO 92 HD1 PRO 92 -15.839 0.029 14.489 716 H ALA 93 HN ALA 93 -13.559 -2.845 15.852 717 HA ALA 93 HA ALA 93 -11.374 -3.494 17.589 718 1HB ALA 93 HB2 ALA 93 -13.608 -4.387 17.958 719 2HB ALA 93 HB3 ALA 93 -12.420 -5.686 17.769 720 3HB ALA 93 HB1 ALA 93 -13.518 -5.276 16.440 721 H SER 94 HN SER 94 -11.732 -3.288 14.301 722 HA SER 94 HA SER 94 -9.559 -5.213 13.876 723 1HB SER 94 HB2 SER 94 -11.624 -5.538 12.421 724 2HB SER 94 HB1 SER 94 -11.339 -3.936 11.750 725 HG SER 94 HG SER 94 -10.308 -6.223 10.925 726 H GLU 95 HN GLU 95 -8.279 -4.143 11.775 727 HA GLU 95 HA GLU 95 -7.621 -1.472 12.730 728 1HB GLU 95 HB2 GLU 95 -5.246 -1.897 12.331 729 2HB GLU 95 HB1 GLU 95 -5.898 -3.037 13.498 730 1HG GLU 95 HG2 GLU 95 -6.026 -4.739 11.785 731 2HG GLU 95 HG1 GLU 95 -5.456 -3.562 10.597 732 HA PRO 96 HA PRO 96 -7.980 -0.569 8.406 733 1HB PRO 96 HB2 PRO 96 -6.885 1.979 8.524 734 2HB PRO 96 HB1 PRO 96 -8.578 1.599 8.824 735 1HG PRO 96 HG2 PRO 96 -6.549 2.446 10.686 736 2HG PRO 96 HG1 PRO 96 -8.292 2.230 10.950 737 1HD PRO 96 HD2 PRO 96 -6.086 0.499 11.732 738 2HD PRO 96 HD1 PRO 96 -7.794 0.366 12.172 739 H ILE 97 HN ILE 97 -6.686 -1.182 6.913 740 HA ILE 97 HA ILE 97 -3.960 -1.749 7.426 741 HB ILE 97 HB ILE 97 -5.530 -1.814 4.839 742 1HG1 ILE 97 2HG1 ILE 97 -4.756 -4.080 6.688 743 2HG1 ILE 97 1HG1 ILE 97 -6.305 -3.251 6.762 744 1HG2 ILE 97 2HG2 ILE 97 -2.827 -2.989 5.517 745 2HG2 ILE 97 1HG2 ILE 97 -3.746 -3.318 4.044 746 3HG2 ILE 97 3HG2 ILE 97 -3.154 -1.692 4.370 747 1HD1 ILE 97 1HD1 ILE 97 -5.259 -4.778 4.385 748 2HD1 ILE 97 3HD1 ILE 97 -6.464 -5.336 5.562 749 3HD1 ILE 97 2HD1 ILE 97 -6.827 -3.955 4.541 750 H GLN 98 HN GLN 98 -5.599 0.727 5.575 751 HA GLN 98 HA GLN 98 -3.397 2.466 5.890 752 1HB GLN 98 HB2 GLN 98 -2.923 2.916 3.579 753 2HB GLN 98 HB1 GLN 98 -2.887 1.187 3.776 754 1HG GLN 98 HG2 GLN 98 -4.894 2.878 2.326 755 2HG GLN 98 HG1 GLN 98 -3.922 1.536 1.733 756 1HE2 GLN 98 1HE2 GLN 98 -4.372 -0.342 2.971 757 2HE2 GLN 98 2HE2 GLN 98 -6.026 -0.913 3.079 758 H SER 99 HN SER 99 -4.343 4.530 4.231 759 HA SER 99 HA SER 99 -7.144 4.334 4.338 760 1HB SER 99 HB2 SER 99 -6.654 5.431 6.465 761 2HB SER 99 HB1 SER 99 -5.666 6.645 5.655 762 HG SER 99 HG SER 99 -7.390 7.728 5.199 763 H PHE 100 HN PHE 100 -7.784 4.852 2.333 764 HA PHE 100 HA PHE 100 -5.957 6.209 0.557 765 1HB PHE 100 HB2 PHE 100 -8.585 4.858 0.044 766 2HB PHE 100 HB1 PHE 100 -7.754 5.787 -1.193 767 HD1 PHE 100 HD1 PHE 100 -5.340 5.084 -1.715 768 HD2 PHE 100 HD2 PHE 100 -8.138 2.632 0.331 769 HE1 PHE 100 HE1 PHE 100 -4.049 3.094 -2.352 770 HE2 PHE 100 HE2 PHE 100 -6.855 0.638 -0.294 771 HZ PHE 100 HZ PHE 100 -4.812 0.862 -1.636 772 H PHE 101 HN PHE 101 -9.468 6.720 1.107 773 HA PHE 101 HA PHE 101 -9.076 9.588 0.805 774 1HB PHE 101 HB2 PHE 101 -9.193 8.249 -1.474 775 2HB PHE 101 HB1 PHE 101 -10.902 8.153 -1.104 776 HD1 PHE 101 HD1 PHE 101 -8.124 10.320 -2.025 777 HD2 PHE 101 HD2 PHE 101 -12.300 10.125 -1.271 778 HE1 PHE 101 HE1 PHE 101 -8.417 12.512 -3.097 779 HE2 PHE 101 HE2 PHE 101 -12.588 12.321 -2.332 780 HZ PHE 101 HZ PHE 101 -10.660 13.507 -3.246 781 H GLN 102 HN GLN 102 -11.375 10.609 0.927 782 HA GLN 102 HA GLN 102 -13.271 8.928 2.377 783 1HB GLN 102 HB2 GLN 102 -12.196 11.599 3.152 784 2HB GLN 102 HB1 GLN 102 -13.864 11.200 3.532 785 1HG GLN 102 HG2 GLN 102 -13.216 9.332 4.765 786 2HG GLN 102 HG1 GLN 102 -11.516 9.492 4.394 787 1HE2 GLN 102 1HE2 GLN 102 -13.820 12.073 5.198 788 2HE2 GLN 102 2HE2 GLN 102 -13.091 12.499 6.701 789 H ILE 103 HN ILE 103 -15.406 9.303 1.999 790 HA ILE 103 HA ILE 103 -16.176 11.307 0.001 791 HB ILE 103 HB ILE 103 -17.349 9.606 -1.415 792 1HG1 ILE 103 2HG1 ILE 103 -16.007 7.583 0.390 793 2HG1 ILE 103 1HG1 ILE 103 -17.718 7.980 0.428 794 1HG2 ILE 103 3HG2 ILE 103 -14.439 8.983 -1.057 795 2HG2 ILE 103 2HG2 ILE 103 -15.436 8.549 -2.446 796 3HG2 ILE 103 1HG2 ILE 103 -15.127 10.244 -2.077 797 1HD1 ILE 103 1HD1 ILE 103 -17.920 7.248 -1.858 798 2HD1 ILE 103 3HD1 ILE 103 -16.227 6.729 -1.853 799 3HD1 ILE 103 2HD1 ILE 103 -17.419 5.971 -0.761 800 H ASP 104 HN ASP 104 -18.593 11.458 -0.164 801 HA ASP 104 HA ASP 104 -19.743 11.036 2.423 802 1HB ASP 104 HB2 ASP 104 -20.492 12.703 0.079 803 2HB ASP 104 HB1 ASP 104 -21.805 12.061 1.047 804 H LEU 105 HN LEU 105 -20.797 9.396 2.994 805 HA LEU 105 HA LEU 105 -21.515 7.402 1.102 806 1HB LEU 105 HB2 LEU 105 -22.158 7.604 4.035 807 2HB LEU 105 HB1 LEU 105 -22.588 6.250 3.026 808 HG LEU 105 HG LEU 105 -19.952 7.035 4.151 809 1HD1 LEU 105 3HD1 LEU 105 -21.532 4.525 3.827 810 2HD1 LEU 105 2HD1 LEU 105 -19.945 4.584 4.605 811 3HD1 LEU 105 1HD1 LEU 105 -21.328 5.442 5.316 812 1HD2 LEU 105 1HD2 LEU 105 -20.344 5.306 1.714 813 2HD2 LEU 105 3HD2 LEU 105 -19.487 6.847 1.757 814 3HD2 LEU 105 2HD2 LEU 105 -18.843 5.447 2.622 815 H GLU 106 HN GLU 106 -23.071 10.015 2.778 816 HA GLU 106 HA GLU 106 -25.747 9.253 2.302 817 1HB GLU 106 HB2 GLU 106 -26.294 11.658 2.582 818 2HB GLU 106 HB1 GLU 106 -25.272 11.035 3.868 819 1HG GLU 106 HG2 GLU 106 -23.384 12.145 3.052 820 2HG GLU 106 HG1 GLU 106 -24.127 12.492 1.500 821 H ARG 107 HN ARG 107 -23.287 10.519 0.291 822 HA ARG 107 HA ARG 107 -25.192 11.182 -1.788 823 1HB ARG 107 HB2 ARG 107 -23.649 12.651 -2.580 824 2HB ARG 107 HB1 ARG 107 -22.908 12.434 -1.010 825 1HG ARG 107 HG2 ARG 107 -21.409 10.759 -1.943 826 2HG ARG 107 HG1 ARG 107 -22.165 11.017 -3.520 827 1HD ARG 107 HD2 ARG 107 -20.568 13.023 -1.912 828 2HD ARG 107 HD1 ARG 107 -20.168 12.316 -3.465 829 HE ARG 107 HE ARG 107 -22.620 13.562 -3.679 830 1HH1 ARG 107 1HH1 ARG 107 -19.369 14.682 -2.941 831 2HH1 ARG 107 2HH1 ARG 107 -19.450 16.050 -3.968 832 1HH2 ARG 107 1HH2 ARG 107 -22.750 15.462 -5.018 833 2HH2 ARG 107 2HH2 ARG 107 -21.421 16.527 -5.164 834 H LEU 108 HN LEU 108 -23.244 8.646 -0.746 835 HA LEU 108 HA LEU 108 -22.788 7.145 -3.111 836 1HB LEU 108 HB2 LEU 108 -22.749 6.544 -0.241 837 2HB LEU 108 HB1 LEU 108 -23.501 5.288 -1.186 838 HG LEU 108 HG LEU 108 -21.646 5.351 -2.655 839 1HD1 LEU 108 3HD1 LEU 108 -20.672 7.505 -1.846 840 2HD1 LEU 108 2HD1 LEU 108 -20.345 6.612 -0.324 841 3HD1 LEU 108 1HD1 LEU 108 -19.530 6.129 -1.799 842 1HD2 LEU 108 1HD2 LEU 108 -21.896 3.578 -1.135 843 2HD2 LEU 108 3HD2 LEU 108 -20.193 3.961 -1.345 844 3HD2 LEU 108 2HD2 LEU 108 -21.026 4.494 0.106 845 H GLU 109 HN GLU 109 -23.969 5.419 -3.946 846 HA GLU 109 HA GLU 109 -26.784 5.554 -3.562 847 1HB GLU 109 HB2 GLU 109 -25.083 3.381 -4.833 848 2HB GLU 109 HB1 GLU 109 -26.839 3.436 -4.867 849 1HG GLU 109 HG2 GLU 109 -26.599 5.693 -5.998 850 2HG GLU 109 HG1 GLU 109 -24.904 5.262 -6.225 851 H SER 110 HN SER 110 -27.952 4.446 -2.101 852 HA SER 110 HA SER 110 -26.909 4.076 0.337 853 1HB SER 110 HB2 SER 110 -29.382 2.768 -0.744 854 2HB SER 110 HB1 SER 110 -29.022 3.116 0.952 855 HG SER 110 HG SER 110 -28.911 5.323 0.410 856 H HIS 111 HN HIS 111 -27.426 1.377 -1.967 857 HA HIS 111 HA HIS 111 -26.631 -0.412 0.131 858 1HB HIS 111 HB2 HIS 111 -27.402 -1.010 -2.723 859 2HB HIS 111 HB1 HIS 111 -26.975 -2.247 -1.546 860 HD1 HIS 111 HD1 HIS 111 -28.776 -2.897 0.176 861 HD2 HIS 111 HD2 HIS 111 -29.823 0.356 -2.184 862 HE1 HIS 111 HE1 HIS 111 -31.187 -2.423 0.680 863 H MET 112 HN MET 112 -25.028 1.316 -2.137 864 HA MET 112 HA MET 112 -22.745 -0.324 -2.513 865 1HB MET 112 HB2 MET 112 -23.267 2.621 -2.721 866 2HB MET 112 HB1 MET 112 -21.635 2.012 -2.879 867 1HG MET 112 HG2 MET 112 -23.965 1.165 -4.588 868 2HG MET 112 HG1 MET 112 -22.788 2.398 -5.037 869 1HE MET 112 HE3 MET 112 -20.234 1.963 -5.278 870 2HE MET 112 HE2 MET 112 -20.121 1.094 -3.753 871 3HE MET 112 HE1 MET 112 -19.463 0.370 -5.217 872 H GLN 113 HN GLN 113 -23.421 2.387 -0.367 873 HA GLN 113 HA GLN 113 -21.059 2.193 1.099 874 1HB GLN 113 HB2 GLN 113 -22.658 3.240 3.003 875 2HB GLN 113 HB1 GLN 113 -21.911 4.209 1.749 876 1HG GLN 113 HG2 GLN 113 -23.824 4.585 0.780 877 2HG GLN 113 HG1 GLN 113 -24.369 2.961 1.056 878 1HE2 GLN 113 1HE2 GLN 113 -24.292 6.153 2.173 879 2HE2 GLN 113 2HE2 GLN 113 -25.292 5.971 3.569 880 H LYS 114 HN LYS 114 -24.258 0.811 1.748 881 HA LYS 114 HA LYS 114 -23.742 -0.335 4.205 882 1HB LYS 114 HB2 LYS 114 -25.408 -1.551 2.005 883 2HB LYS 114 HB1 LYS 114 -25.529 -1.916 3.719 884 1HG LYS 114 HG2 LYS 114 -26.065 0.756 2.485 885 2HG LYS 114 HG1 LYS 114 -27.303 -0.424 2.854 886 1HD LYS 114 HD2 LYS 114 -26.668 -0.253 5.259 887 2HD LYS 114 HD1 LYS 114 -25.461 0.963 4.817 888 1HE LYS 114 HE2 LYS 114 -27.258 2.369 3.887 889 2HE LYS 114 HE1 LYS 114 -28.441 1.175 4.405 890 1HZ LYS 114 HZ2 LYS 114 -27.753 1.585 6.703 891 2HZ LYS 114 HZ1 LYS 114 -26.665 2.766 6.190 892 3HZ LYS 114 HZ3 LYS 114 -28.314 2.978 5.954 893 H ASN 115 HN ASN 115 -22.928 -1.616 0.983 894 HA ASN 115 HA ASN 115 -22.032 -4.162 1.873 895 1HB ASN 115 HB2 ASN 115 -21.441 -2.569 -0.612 896 2HB ASN 115 HB1 ASN 115 -20.577 -4.061 -0.281 897 1HD2 ASN 115 1HD2 ASN 115 -22.356 -3.407 -2.448 898 2HD2 ASN 115 2HD2 ASN 115 -23.647 -4.542 -2.412 899 H LEU 116 HN LEU 116 -20.524 -1.095 1.479 900 HA LEU 116 HA LEU 116 -17.863 -1.940 2.026 901 1HB LEU 116 HB2 LEU 116 -19.132 0.774 2.234 902 2HB LEU 116 HB1 LEU 116 -17.415 0.426 2.142 903 HG LEU 116 HG LEU 116 -19.390 -0.129 -0.093 904 1HD1 LEU 116 1HD1 LEU 116 -19.210 2.228 0.353 905 2HD1 LEU 116 3HD1 LEU 116 -17.454 2.121 0.215 906 3HD1 LEU 116 2HD1 LEU 116 -18.478 1.770 -1.180 907 1HD2 LEU 116 1HD2 LEU 116 -17.411 -1.568 -0.120 908 2HD2 LEU 116 3HD2 LEU 116 -17.401 -0.405 -1.449 909 3HD2 LEU 116 2HD2 LEU 116 -16.377 -0.136 -0.035 910 H LEU 117 HN LEU 117 -20.596 -0.916 3.948 911 HA LEU 117 HA LEU 117 -19.273 -0.301 6.352 912 1HB LEU 117 HB2 LEU 117 -22.064 -1.392 6.060 913 2HB LEU 117 HB1 LEU 117 -21.402 -0.577 7.457 914 HG LEU 117 HG LEU 117 -22.033 0.623 4.782 915 1HD1 LEU 117 3HD1 LEU 117 -23.954 0.184 6.221 916 2HD1 LEU 117 2HD1 LEU 117 -23.184 1.108 7.508 917 3HD1 LEU 117 1HD1 LEU 117 -23.664 1.915 6.018 918 1HD2 LEU 117 1HD2 LEU 117 -20.794 1.919 7.199 919 2HD2 LEU 117 3HD2 LEU 117 -20.038 1.629 5.618 920 3HD2 LEU 117 2HD2 LEU 117 -21.405 2.739 5.748 921 H LYS 118 HN LYS 118 -20.675 -3.369 5.172 922 HA LYS 118 HA LYS 118 -19.506 -4.540 7.580 923 1HB LYS 118 HB2 LYS 118 -20.716 -6.522 7.325 924 2HB LYS 118 HB1 LYS 118 -21.843 -5.256 6.894 925 1HG LYS 118 HG2 LYS 118 -20.289 -6.734 4.836 926 2HG LYS 118 HG1 LYS 118 -21.756 -7.407 5.550 927 1HD LYS 118 HD2 LYS 118 -23.001 -5.436 4.756 928 2HD LYS 118 HD1 LYS 118 -21.511 -4.802 4.043 929 1HE LYS 118 HE2 LYS 118 -22.976 -5.962 2.398 930 2HE LYS 118 HE1 LYS 118 -21.367 -6.669 2.535 931 1HZ LYS 118 HZ1 LYS 118 -22.318 -8.420 3.945 932 2HZ LYS 118 HZ3 LYS 118 -23.849 -7.735 3.800 933 3HZ LYS 118 HZ2 LYS 118 -23.066 -8.376 2.462 934 H GLY 119 HN GLY 119 -18.659 -4.115 4.353 935 1HA GLY 119 HA1 GLY 119 -16.330 -5.756 4.925 936 2HA GLY 119 HA2 GLY 119 -16.407 -4.413 3.786 937 H ILE 120 HN ILE 120 -15.926 -5.326 1.968 938 HA ILE 120 HA ILE 120 -17.839 -7.024 0.680 939 HB ILE 120 HB ILE 120 -15.048 -6.382 -0.345 940 1HG1 ILE 120 2HG1 ILE 120 -16.029 -4.248 0.259 941 2HG1 ILE 120 1HG1 ILE 120 -16.075 -4.415 -1.492 942 1HG2 ILE 120 2HG2 ILE 120 -16.303 -8.075 -1.589 943 2HG2 ILE 120 1HG2 ILE 120 -17.649 -6.946 -1.761 944 3HG2 ILE 120 3HG2 ILE 120 -16.107 -6.605 -2.545 945 1HD1 ILE 120 2HD1 ILE 120 -18.449 -5.116 -1.280 946 2HD1 ILE 120 1HD1 ILE 120 -18.340 -4.754 0.442 947 3HD1 ILE 120 3HD1 ILE 120 -18.143 -3.455 -0.743 948 HA PRO 121 HA PRO 121 -16.107 -10.761 2.312 949 1HB PRO 121 HB2 PRO 121 -17.323 -12.544 0.643 950 2HB PRO 121 HB1 PRO 121 -18.138 -11.773 2.005 951 1HG PRO 121 HG2 PRO 121 -18.211 -11.072 -0.895 952 2HG PRO 121 HG1 PRO 121 -19.531 -11.089 0.289 953 1HD PRO 121 HD2 PRO 121 -18.324 -8.810 -0.502 954 2HD PRO 121 HD1 PRO 121 -18.955 -9.025 1.143 955 H PHE 122 HN PHE 122 -15.521 -9.754 -0.840 956 HA PHE 122 HA PHE 122 -13.033 -11.095 -1.110 957 1HB PHE 122 HB2 PHE 122 -14.511 -13.075 -1.462 958 2HB PHE 122 HB1 PHE 122 -15.268 -12.247 -2.808 959 HD1 PHE 122 HD1 PHE 122 -14.369 -12.400 -4.967 960 HD2 PHE 122 HD2 PHE 122 -12.040 -13.635 -1.636 961 HE1 PHE 122 HE1 PHE 122 -12.698 -13.345 -6.497 962 HE2 PHE 122 HE2 PHE 122 -10.362 -14.580 -3.163 963 HZ PHE 122 HZ PHE 122 -10.687 -14.439 -5.590 964 H ARG 123 HN ARG 123 -11.859 -10.333 -2.910 965 HA ARG 123 HA ARG 123 -13.192 -8.772 -4.960 966 1HB ARG 123 HB2 ARG 123 -11.094 -7.654 -3.086 967 2HB ARG 123 HB1 ARG 123 -11.475 -6.944 -4.638 968 1HG ARG 123 HG2 ARG 123 -13.506 -7.267 -2.443 969 2HG ARG 123 HG1 ARG 123 -12.467 -5.853 -2.581 970 1HD ARG 123 HD2 ARG 123 -14.559 -5.306 -3.593 971 2HD ARG 123 HD1 ARG 123 -13.390 -5.510 -4.886 972 HE ARG 123 HE ARG 123 -14.795 -7.921 -4.416 973 1HH1 ARG 123 1HH1 ARG 123 -15.207 -4.708 -5.910 974 2HH1 ARG 123 2HH1 ARG 123 -16.454 -5.193 -6.943 975 1HH2 ARG 123 1HH2 ARG 123 -16.514 -8.573 -5.902 976 2HH2 ARG 123 2HH2 ARG 123 -17.196 -7.438 -6.956 977 H THR 124 HN THR 124 -12.115 -9.061 -6.864 978 HA THR 124 HA THR 124 -9.412 -10.165 -6.747 979 HB THR 124 HB THR 124 -11.157 -9.782 -9.221 980 HG1 THR 124 HG1 THR 124 -12.306 -11.026 -7.832 981 1HG2 THR 124 1HG2 THR 124 -8.868 -11.660 -8.593 982 2HG2 THR 124 3HG2 THR 124 -9.795 -11.626 -10.104 983 3HG2 THR 124 2HG2 THR 124 -8.833 -10.227 -9.638 984 H LYS 125 HN LYS 125 -8.001 -8.973 -8.747 985 HA LYS 125 HA LYS 125 -7.582 -6.437 -7.683 986 1HB LYS 125 HB2 LYS 125 -6.028 -6.054 -9.552 987 2HB LYS 125 HB1 LYS 125 -5.729 -7.544 -8.682 988 1HG LYS 125 HG2 LYS 125 -6.498 -8.879 -10.441 989 2HG LYS 125 HG1 LYS 125 -7.378 -7.548 -11.184 990 1HD LYS 125 HD2 LYS 125 -4.383 -7.753 -10.999 991 2HD LYS 125 HD1 LYS 125 -5.330 -8.161 -12.438 992 1HE LYS 125 HE2 LYS 125 -6.244 -5.801 -12.343 993 2HE LYS 125 HE1 LYS 125 -5.039 -5.464 -11.113 994 1HZ LYS 125 HZ1 LYS 125 -3.293 -5.978 -12.716 995 2HZ LYS 125 HZ3 LYS 125 -4.476 -6.298 -13.898 996 3HZ LYS 125 HZ2 LYS 125 -4.307 -4.760 -13.234 997 H ALA 126 HN ALA 126 -9.342 -7.347 -10.655 998 HA ALA 126 HA ALA 126 -9.474 -4.624 -11.507 999 1HB ALA 126 HB1 ALA 126 -11.016 -7.001 -12.481 1000 2HB ALA 126 HB3 ALA 126 -10.771 -5.476 -13.354 1001 3HB ALA 126 HB2 ALA 126 -9.407 -6.570 -13.028 1002 H GLU 127 HN GLU 127 -11.225 -6.732 -9.540 1003 HA GLU 127 HA GLU 127 -13.709 -5.267 -9.693 1004 1HB GLU 127 HB2 GLU 127 -12.905 -7.195 -7.546 1005 2HB GLU 127 HB1 GLU 127 -14.526 -6.790 -8.092 1006 1HG GLU 127 HG2 GLU 127 -13.776 -7.794 -10.352 1007 2HG GLU 127 HG1 GLU 127 -12.442 -8.393 -9.435 1008 H PHE 128 HN PHE 128 -10.876 -5.414 -7.687 1009 HA PHE 128 HA PHE 128 -11.715 -3.775 -5.563 1010 1HB PHE 128 HB2 PHE 128 -9.738 -5.164 -5.346 1011 2HB PHE 128 HB1 PHE 128 -8.988 -4.396 -6.737 1012 HD1 PHE 128 HD1 PHE 128 -9.637 -4.196 -3.208 1013 HD2 PHE 128 HD2 PHE 128 -8.190 -2.104 -6.583 1014 HE1 PHE 128 HE1 PHE 128 -8.583 -2.550 -1.707 1015 HE2 PHE 128 HE2 PHE 128 -7.104 -0.432 -5.099 1016 HZ PHE 128 HZ PHE 128 -7.316 -0.665 -2.655 1017 H GLU 129 HN GLU 129 -9.797 -3.053 -8.486 1018 HA GLU 129 HA GLU 129 -9.817 -0.309 -7.908 1019 1HB GLU 129 HB2 GLU 129 -8.988 -0.026 -10.238 1020 2HB GLU 129 HB1 GLU 129 -8.046 -1.136 -9.249 1021 1HG GLU 129 HG2 GLU 129 -9.047 -2.997 -10.288 1022 2HG GLU 129 HG1 GLU 129 -10.160 -1.965 -11.178 1023 H ASP 130 HN ASP 130 -12.111 -2.350 -9.423 1024 HA ASP 130 HA ASP 130 -13.601 -0.389 -10.841 1025 1HB ASP 130 HB2 ASP 130 -14.016 -2.730 -11.259 1026 2HB ASP 130 HB1 ASP 130 -14.454 -2.986 -9.581 1027 H VAL 131 HN VAL 131 -13.981 -1.820 -7.683 1028 HA VAL 131 HA VAL 131 -16.076 -0.056 -6.957 1029 HB VAL 131 HB VAL 131 -15.899 -2.223 -5.769 1030 1HG1 VAL 131 2HG1 VAL 131 -13.536 -2.464 -5.791 1031 2HG1 VAL 131 1HG1 VAL 131 -13.379 -1.205 -4.572 1032 3HG1 VAL 131 3HG1 VAL 131 -14.208 -2.712 -4.172 1033 1HG2 VAL 131 2HG2 VAL 131 -17.017 -0.433 -4.567 1034 2HG2 VAL 131 1HG2 VAL 131 -16.134 -1.512 -3.471 1035 3HG2 VAL 131 3HG2 VAL 131 -15.459 0.062 -3.882 1036 H ILE 132 HN ILE 132 -12.602 0.104 -6.591 1037 HA ILE 132 HA ILE 132 -12.600 2.420 -5.001 1038 HB ILE 132 HB ILE 132 -10.567 0.806 -6.379 1039 1HG1 ILE 132 2HG1 ILE 132 -9.319 1.150 -4.281 1040 2HG1 ILE 132 1HG1 ILE 132 -10.529 2.310 -3.758 1041 1HG2 ILE 132 1HG2 ILE 132 -10.002 2.881 -7.450 1042 2HG2 ILE 132 3HG2 ILE 132 -9.934 3.703 -5.891 1043 3HG2 ILE 132 2HG2 ILE 132 -8.755 2.443 -6.278 1044 1HD1 ILE 132 3HD1 ILE 132 -12.203 0.533 -3.745 1045 2HD1 ILE 132 2HD1 ILE 132 -10.976 -0.619 -4.262 1046 3HD1 ILE 132 1HD1 ILE 132 -10.843 0.159 -2.681 1047 H GLU 133 HN GLU 133 -12.484 2.040 -8.548 1048 HA GLU 133 HA GLU 133 -12.187 4.801 -9.006 1049 1HB GLU 133 HB2 GLU 133 -12.838 4.385 -11.326 1050 2HB GLU 133 HB1 GLU 133 -11.698 3.164 -10.786 1051 1HG GLU 133 HG2 GLU 133 -13.491 1.594 -10.490 1052 2HG GLU 133 HG1 GLU 133 -14.651 2.839 -10.951 1053 H HIS 134 HN HIS 134 -14.862 2.825 -8.263 1054 HA HIS 134 HA HIS 134 -16.952 4.637 -8.935 1055 1HB HIS 134 HB2 HIS 134 -17.012 2.092 -8.535 1056 2HB HIS 134 HB1 HIS 134 -17.036 2.475 -6.825 1057 HD1 HIS 134 HD1 HIS 134 -19.329 1.064 -8.638 1058 HD2 HIS 134 HD2 HIS 134 -19.304 4.925 -7.110 1059 HE1 HIS 134 HE1 HIS 134 -21.745 1.798 -8.540 1060 H MET 135 HN MET 135 -15.082 3.915 -6.086 1061 HA MET 135 HA MET 135 -16.374 5.627 -4.205 1062 1HB MET 135 HB2 MET 135 -13.492 4.730 -4.251 1063 2HB MET 135 HB1 MET 135 -14.287 5.491 -2.893 1064 1HG MET 135 HG2 MET 135 -14.983 2.792 -4.046 1065 2HG MET 135 HG1 MET 135 -13.977 3.056 -2.636 1066 1HE MET 135 HE3 MET 135 -17.486 2.401 -3.954 1067 2HE MET 135 HE2 MET 135 -18.564 3.203 -2.826 1068 3HE MET 135 HE1 MET 135 -17.640 4.161 -3.995 1069 H LYS 136 HN LYS 136 -13.503 6.107 -6.215 1070 HA LYS 136 HA LYS 136 -13.064 8.755 -5.283 1071 1HB LYS 136 HB2 LYS 136 -11.374 8.979 -7.039 1072 2HB LYS 136 HB1 LYS 136 -11.218 7.451 -6.189 1073 1HG LYS 136 HG2 LYS 136 -12.346 6.324 -7.978 1074 2HG LYS 136 HG1 LYS 136 -12.520 7.834 -8.863 1075 1HD LYS 136 HD2 LYS 136 -10.625 6.530 -9.718 1076 2HD LYS 136 HD1 LYS 136 -10.083 8.048 -8.999 1077 1HE LYS 136 HE2 LYS 136 -9.381 6.935 -7.019 1078 2HE LYS 136 HE1 LYS 136 -10.104 5.417 -7.535 1079 1HZ LYS 136 HZ3 LYS 136 -8.447 5.383 -9.374 1080 2HZ LYS 136 HZ2 LYS 136 -7.781 6.818 -8.774 1081 3HZ LYS 136 HZ1 LYS 136 -7.713 5.431 -7.855 1082 H THR 137 HN THR 137 -15.166 7.406 -7.563 1083 HA THR 137 HA THR 137 -15.531 9.604 -9.218 1084 HB THR 137 HB THR 137 -16.403 6.954 -8.982 1085 HG1 THR 137 HG1 THR 137 -15.899 7.398 -10.895 1086 1HG2 THR 137 1HG2 THR 137 -18.783 8.810 -9.150 1087 2HG2 THR 137 3HG2 THR 137 -18.794 7.068 -9.535 1088 3HG2 THR 137 2HG2 THR 137 -18.377 7.592 -7.909 1089 H TYR 138 HN TYR 138 -16.669 8.858 -5.952 1090 HA TYR 138 HA TYR 138 -18.608 10.996 -6.005 1091 1HB TYR 138 HB2 TYR 138 -17.491 9.323 -3.742 1092 2HB TYR 138 HB1 TYR 138 -18.778 10.505 -3.567 1093 HD1 TYR 138 HD1 TYR 138 -17.946 7.118 -4.377 1094 HD2 TYR 138 HD2 TYR 138 -20.918 10.102 -4.804 1095 HE1 TYR 138 HE1 TYR 138 -19.605 5.370 -4.834 1096 HE2 TYR 138 HE2 TYR 138 -22.615 8.370 -5.261 1097 HH TYR 138 HH TYR 138 -22.561 5.997 -6.171 1098 H SER 139 HN SER 139 -15.607 10.187 -4.355 1099 HA SER 139 HA SER 139 -13.953 11.274 -3.434 1100 1HB SER 139 HB2 SER 139 -13.006 13.180 -4.704 1101 2HB SER 139 HB1 SER 139 -13.295 11.727 -5.652 1102 HG SER 139 HG SER 139 -15.469 13.303 -5.687 1103 H GLY 140 HN GLY 140 -16.769 12.197 -2.496 1104 1HA GLY 140 HA1 GLY 140 -16.478 14.869 -1.844 1105 2HA GLY 140 HA2 GLY 140 -16.120 13.756 -0.500 No H/Q in entry = 1105 Start of MODEL 2 1 H1 ALA 1 HT2 ALA 1 32.278 13.261 -2.860 2 H2 ALA 1 HT1 ALA 1 32.151 14.939 -3.080 3 H3 ALA 1 HT3 ALA 1 33.507 14.270 -2.331 4 HA ALA 1 HA ALA 1 32.133 15.258 -0.683 5 1HB ALA 1 HB3 ALA 1 30.045 13.316 -1.673 6 2HB ALA 1 HB1 ALA 1 29.981 15.068 -1.842 7 3HB ALA 1 HB2 ALA 1 29.894 14.332 -0.241 8 H GLU 2 HN GLU 2 31.319 11.823 -1.234 9 HA GLU 2 HA GLU 2 33.498 10.945 0.327 10 1HB GLU 2 HB2 GLU 2 31.737 11.488 2.074 11 2HB GLU 2 HB1 GLU 2 30.653 10.376 1.260 12 1HG GLU 2 HG2 GLU 2 31.758 9.427 3.272 13 2HG GLU 2 HG1 GLU 2 32.046 8.506 1.797 14 H VAL 3 HN VAL 3 33.619 8.606 0.044 15 HA VAL 3 HA VAL 3 32.151 7.835 -2.371 16 HB VAL 3 HB VAL 3 34.158 6.546 -3.076 17 1HG1 VAL 3 2HG1 VAL 3 34.591 9.505 -2.707 18 2HG1 VAL 3 1HG1 VAL 3 35.481 8.477 -3.835 19 3HG1 VAL 3 3HG1 VAL 3 33.746 8.723 -4.040 20 1HG2 VAL 3 3HG2 VAL 3 35.502 8.009 -0.802 21 2HG2 VAL 3 2HG2 VAL 3 35.248 6.269 -0.925 22 3HG2 VAL 3 1HG2 VAL 3 36.337 7.082 -2.050 23 H GLU 4 HN GLU 4 32.249 5.504 -2.745 24 HA GLU 4 HA GLU 4 31.372 4.039 -0.483 25 1HB GLU 4 HB2 GLU 4 31.414 2.112 -2.183 26 2HB GLU 4 HB1 GLU 4 30.366 3.472 -2.557 27 1HG GLU 4 HG2 GLU 4 32.192 4.354 -4.045 28 2HG GLU 4 HG1 GLU 4 33.038 2.832 -3.774 29 H HIS 5 HN HIS 5 32.535 2.706 0.794 30 HA HIS 5 HA HIS 5 35.334 3.307 0.717 31 1HB HIS 5 HB2 HIS 5 34.041 1.605 2.843 32 2HB HIS 5 HB1 HIS 5 35.508 2.524 2.920 33 HD1 HIS 5 HD1 HIS 5 35.017 5.316 2.570 34 HD2 HIS 5 HD2 HIS 5 32.002 2.889 4.066 35 HE1 HIS 5 HE1 HIS 5 33.401 6.851 3.753 36 H TYR 6 HN TYR 6 36.871 1.707 1.357 37 HA TYR 6 HA TYR 6 37.110 -0.388 -0.514 38 1HB TYR 6 HB2 TYR 6 38.603 -0.070 2.095 39 2HB TYR 6 HB1 TYR 6 39.159 -0.896 0.646 40 HD1 TYR 6 HD1 TYR 6 40.008 0.383 -1.262 41 HD2 TYR 6 HD2 TYR 6 38.598 2.336 2.240 42 HE1 TYR 6 HE1 TYR 6 41.058 2.476 -2.016 43 HE2 TYR 6 HE2 TYR 6 39.664 4.437 1.502 44 HH TYR 6 HH TYR 6 40.883 4.831 -1.673 45 H GLU 7 HN GLU 7 36.102 -0.140 2.784 46 HA GLU 7 HA GLU 7 35.702 -2.979 3.151 47 1HB GLU 7 HB2 GLU 7 35.096 -2.303 5.438 48 2HB GLU 7 HB1 GLU 7 36.640 -1.621 4.948 49 1HG GLU 7 HG2 GLU 7 35.665 0.521 4.573 50 2HG GLU 7 HG1 GLU 7 34.050 -0.118 4.879 51 HA PRO 8 HA PRO 8 31.460 -2.729 1.993 52 1HB PRO 8 HB2 PRO 8 30.248 -4.282 3.803 53 2HB PRO 8 HB1 PRO 8 31.127 -4.922 2.405 54 1HG PRO 8 HG2 PRO 8 31.938 -4.725 5.272 55 2HG PRO 8 HG1 PRO 8 32.326 -5.976 4.073 56 1HD PRO 8 HD2 PRO 8 34.070 -4.046 4.837 57 2HD PRO 8 HD1 PRO 8 34.074 -4.807 3.228 58 H LEU 9 HN LEU 9 29.423 -2.087 2.546 59 HA LEU 9 HA LEU 9 29.273 -0.232 4.850 60 1HB LEU 9 HB2 LEU 9 29.054 0.381 2.188 61 2HB LEU 9 HB1 LEU 9 27.428 -0.068 2.542 62 HG LEU 9 HG LEU 9 27.699 2.354 2.652 63 1HD1 LEU 9 1HD1 LEU 9 27.082 1.151 5.337 64 2HD1 LEU 9 3HD1 LEU 9 26.668 2.785 4.823 65 3HD1 LEU 9 2HD1 LEU 9 25.945 1.397 4.012 66 1HD2 LEU 9 2HD2 LEU 9 30.008 2.441 3.362 67 2HD2 LEU 9 1HD2 LEU 9 28.980 3.390 4.437 68 3HD2 LEU 9 3HD2 LEU 9 29.562 1.808 4.948 69 H GLN 10 HN GLN 10 27.872 -0.966 6.366 70 HA GLN 10 HA GLN 10 26.001 -3.051 5.755 71 1HB GLN 10 HB2 GLN 10 26.630 -1.533 8.273 72 2HB GLN 10 HB1 GLN 10 25.386 -2.769 8.177 73 1HG GLN 10 HG2 GLN 10 27.069 -4.372 7.493 74 2HG GLN 10 HG1 GLN 10 28.321 -3.143 7.662 75 1HE2 GLN 10 1HE2 GLN 10 28.059 -5.677 9.049 76 2HE2 GLN 10 2HE2 GLN 10 28.001 -5.287 10.723 77 H VAL 11 HN VAL 11 24.290 -2.545 4.715 78 HA VAL 11 HA VAL 11 22.987 0.056 5.152 79 HB VAL 11 HB VAL 11 22.530 -1.816 2.860 80 1HG1 VAL 11 1HG1 VAL 11 20.833 -0.207 3.170 81 2HG1 VAL 11 3HG1 VAL 11 22.004 1.116 3.149 82 3HG1 VAL 11 2HG1 VAL 11 21.734 0.140 1.697 83 1HG2 VAL 11 1HG2 VAL 11 24.883 -1.300 2.839 84 2HG2 VAL 11 3HG2 VAL 11 24.055 -0.543 1.487 85 3HG2 VAL 11 2HG2 VAL 11 24.532 0.442 2.878 86 H HIS 12 HN HIS 12 21.120 -0.056 6.190 87 HA HIS 12 HA HIS 12 19.519 -2.504 6.033 88 1HB HIS 12 HB2 HIS 12 19.913 -1.560 8.322 89 2HB HIS 12 HB1 HIS 12 19.178 -0.052 7.771 90 HD1 HIS 12 HD1 HIS 12 16.897 0.115 8.816 91 HD2 HIS 12 HD2 HIS 12 17.802 -3.763 7.625 92 HE1 HIS 12 HE1 HIS 12 14.838 -1.254 9.264 93 H VAL 13 HN VAL 13 18.019 -2.478 4.474 94 HA VAL 13 HA VAL 13 17.061 0.120 3.514 95 HB VAL 13 HB VAL 13 16.523 -0.962 1.440 96 1HG1 VAL 13 3HG1 VAL 13 18.800 -0.121 1.702 97 2HG1 VAL 13 2HG1 VAL 13 19.288 -1.723 2.282 98 3HG1 VAL 13 1HG1 VAL 13 18.741 -1.531 0.628 99 1HG2 VAL 13 3HG2 VAL 13 15.972 -3.185 2.271 100 2HG2 VAL 13 2HG2 VAL 13 17.135 -3.262 0.936 101 3HG2 VAL 13 1HG2 VAL 13 17.680 -3.442 2.610 102 H GLN 14 HN GLN 14 15.117 0.611 3.658 103 HA GLN 14 HA GLN 14 13.242 -1.423 4.631 104 1HB GLN 14 HB2 GLN 14 13.327 0.679 5.968 105 2HB GLN 14 HB1 GLN 14 12.852 1.589 4.538 106 1HG GLN 14 HG2 GLN 14 10.742 0.316 4.470 107 2HG GLN 14 HG1 GLN 14 11.230 -0.533 5.931 108 1HE2 GLN 14 1HE2 GLN 14 10.032 2.406 4.604 109 2HE2 GLN 14 2HE2 GLN 14 9.624 3.166 6.087 110 H LEU 15 HN LEU 15 12.256 -2.385 3.081 111 HA LEU 15 HA LEU 15 11.933 -1.006 0.535 112 1HB LEU 15 HB2 LEU 15 11.785 -3.903 1.299 113 2HB LEU 15 HB1 LEU 15 11.623 -3.306 -0.341 114 HG LEU 15 HG LEU 15 14.069 -3.238 1.413 115 1HD1 LEU 15 1HD1 LEU 15 13.431 -4.819 -1.067 116 2HD1 LEU 15 3HD1 LEU 15 15.000 -4.762 -0.265 117 3HD1 LEU 15 2HD1 LEU 15 13.619 -5.443 0.579 118 1HD2 LEU 15 1HD2 LEU 15 13.712 -2.226 -1.410 119 2HD2 LEU 15 3HD2 LEU 15 14.039 -1.256 0.028 120 3HD2 LEU 15 2HD2 LEU 15 15.255 -2.383 -0.567 121 H GLU 16 HN GLU 16 10.040 -0.073 0.336 122 HA GLU 16 HA GLU 16 7.666 -1.071 1.742 123 1HB GLU 16 HB2 GLU 16 8.009 1.307 -0.091 124 2HB GLU 16 HB1 GLU 16 6.572 0.929 0.834 125 1HG GLU 16 HG2 GLU 16 7.760 1.338 2.897 126 2HG GLU 16 HG1 GLU 16 9.251 1.659 2.010 127 H LYS 17 HN LYS 17 5.956 -1.959 0.737 128 HA LYS 17 HA LYS 17 6.235 -2.471 -2.165 129 1HB LYS 17 HB2 LYS 17 4.843 -4.143 -0.062 130 2HB LYS 17 HB1 LYS 17 5.010 -4.544 -1.758 131 1HG LYS 17 HG2 LYS 17 7.372 -4.269 0.087 132 2HG LYS 17 HG1 LYS 17 6.504 -5.782 -0.130 133 1HD LYS 17 HD2 LYS 17 6.995 -5.686 -2.535 134 2HD LYS 17 HD1 LYS 17 7.939 -4.214 -2.267 135 1HE LYS 17 HE2 LYS 17 9.499 -5.382 -0.886 136 2HE LYS 17 HE1 LYS 17 8.480 -6.818 -0.854 137 1HZ LYS 17 HZ3 LYS 17 9.837 -5.760 -3.285 138 2HZ LYS 17 HZ2 LYS 17 10.351 -7.074 -2.389 139 3HZ LYS 17 HZ1 LYS 17 8.894 -7.135 -3.190 140 H VAL 18 HN VAL 18 4.810 -0.869 -2.994 141 HA VAL 18 HA VAL 18 2.474 -0.327 -1.341 142 HB VAL 18 HB VAL 18 2.970 1.143 -3.935 143 1HG1 VAL 18 3HG1 VAL 18 0.851 1.478 -2.973 144 2HG1 VAL 18 2HG1 VAL 18 1.580 1.964 -1.442 145 3HG1 VAL 18 1HG1 VAL 18 1.818 2.951 -2.886 146 1HG2 VAL 18 2HG2 VAL 18 4.255 1.845 -1.284 147 2HG2 VAL 18 1HG2 VAL 18 5.086 1.308 -2.752 148 3HG2 VAL 18 3HG2 VAL 18 4.246 2.853 -2.738 149 H TYR 19 HN TYR 19 1.187 -1.950 -1.594 150 HA TYR 19 HA TYR 19 0.443 -2.909 -4.204 151 1HB TYR 19 HB2 TYR 19 -0.455 -3.561 -1.413 152 2HB TYR 19 HB1 TYR 19 -1.180 -4.275 -2.844 153 HD1 TYR 19 HD1 TYR 19 1.771 -4.161 -0.717 154 HD2 TYR 19 HD2 TYR 19 0.009 -5.879 -4.154 155 HE1 TYR 19 HE1 TYR 19 3.482 -5.928 -0.686 156 HE2 TYR 19 HE2 TYR 19 1.725 -7.667 -4.153 157 HH TYR 19 HH TYR 19 3.763 -8.200 -1.483 158 H LEU 20 HN LEU 20 -1.867 -2.906 -4.864 159 HA LEU 20 HA LEU 20 -2.856 -0.250 -4.827 160 1HB LEU 20 HB2 LEU 20 -4.393 -2.720 -5.594 161 2HB LEU 20 HB1 LEU 20 -4.837 -1.074 -5.938 162 HG LEU 20 HG LEU 20 -2.529 -2.593 -7.110 163 1HD1 LEU 20 2HD1 LEU 20 -4.734 -3.169 -7.892 164 2HD1 LEU 20 1HD1 LEU 20 -5.064 -1.482 -8.274 165 3HD1 LEU 20 3HD1 LEU 20 -3.798 -2.353 -9.156 166 1HD2 LEU 20 3HD2 LEU 20 -3.406 0.260 -7.545 167 2HD2 LEU 20 2HD2 LEU 20 -1.920 -0.264 -6.749 168 3HD2 LEU 20 1HD2 LEU 20 -2.158 -0.585 -8.471 169 H ASP 21 HN ASP 21 -3.775 -3.116 -3.127 170 HA ASP 21 HA ASP 21 -6.229 -2.407 -2.008 171 1HB ASP 21 HB2 ASP 21 -5.278 -4.634 -1.740 172 2HB ASP 21 HB1 ASP 21 -4.006 -3.991 -0.714 173 H GLY 22 HN GLY 22 -3.030 -1.730 -0.795 174 1HA GLY 22 HA1 GLY 22 -4.269 -0.032 1.263 175 2HA GLY 22 HA2 GLY 22 -2.883 0.540 0.346 176 H ASP 23 HN ASP 23 -3.096 -2.773 1.204 177 HA ASP 23 HA ASP 23 -1.523 -2.505 3.563 178 1HB ASP 23 HB2 ASP 23 -2.947 -4.520 3.158 179 2HB ASP 23 HB1 ASP 23 -1.886 -4.967 1.829 180 H VAL 24 HN VAL 24 0.327 -1.543 3.362 181 HA VAL 24 HA VAL 24 2.095 -2.170 1.133 182 HB VAL 24 HB VAL 24 2.679 -0.282 3.441 183 1HG1 VAL 24 2HG1 VAL 24 4.637 -0.955 2.296 184 2HG1 VAL 24 1HG1 VAL 24 3.941 -0.466 0.752 185 3HG1 VAL 24 3HG1 VAL 24 4.290 0.748 1.986 186 1HG2 VAL 24 2HG2 VAL 24 0.638 0.494 2.315 187 2HG2 VAL 24 1HG2 VAL 24 1.993 1.578 1.992 188 3HG2 VAL 24 3HG2 VAL 24 1.476 0.422 0.766 189 H SER 25 HN SER 25 3.562 -3.688 1.370 190 HA SER 25 HA SER 25 3.967 -4.776 4.022 191 1HB SER 25 HB2 SER 25 3.562 -6.353 2.123 192 2HB SER 25 HB1 SER 25 5.010 -5.743 1.334 193 HG SER 25 HG SER 25 4.741 -7.361 3.596 194 H ILE 26 HN ILE 26 5.709 -4.429 5.162 195 HA ILE 26 HA ILE 26 7.740 -2.766 3.914 196 HB ILE 26 HB ILE 26 7.032 -3.111 6.842 197 1HG1 ILE 26 2HG1 ILE 26 5.363 -1.760 5.694 198 2HG1 ILE 26 1HG1 ILE 26 6.344 -0.724 6.726 199 1HG2 ILE 26 3HG2 ILE 26 9.427 -2.722 6.562 200 2HG2 ILE 26 2HG2 ILE 26 9.073 -1.300 5.572 201 3HG2 ILE 26 1HG2 ILE 26 8.636 -1.314 7.281 202 1HD1 ILE 26 2HD1 ILE 26 7.609 -0.011 4.757 203 2HD1 ILE 26 1HD1 ILE 26 6.566 -1.022 3.751 204 3HD1 ILE 26 3HD1 ILE 26 5.885 0.351 4.626 205 H GLU 27 HN GLU 27 9.540 -3.669 3.508 206 HA GLU 27 HA GLU 27 10.207 -6.207 4.790 207 1HB GLU 27 HB2 GLU 27 9.804 -6.554 2.507 208 2HB GLU 27 HB1 GLU 27 10.660 -5.124 2.012 209 1HG GLU 27 HG2 GLU 27 12.078 -6.875 1.451 210 2HG GLU 27 HG1 GLU 27 12.720 -6.267 2.953 211 H HIS 28 HN HIS 28 12.311 -6.494 5.369 212 HA HIS 28 HA HIS 28 13.972 -4.077 5.609 213 1HB HIS 28 HB2 HIS 28 13.598 -6.228 7.707 214 2HB HIS 28 HB1 HIS 28 14.671 -4.843 7.827 215 HD1 HIS 28 HD1 HIS 28 11.951 -5.718 9.575 216 HD2 HIS 28 HD2 HIS 28 12.550 -2.552 6.975 217 HE1 HIS 28 HE1 HIS 28 10.309 -3.945 10.271 218 H LYS 29 HN LYS 29 15.745 -4.459 4.478 219 HA LYS 29 HA LYS 29 16.905 -7.167 4.626 220 1HB LYS 29 HB2 LYS 29 17.278 -5.273 2.274 221 2HB LYS 29 HB1 LYS 29 17.823 -6.916 2.381 222 1HG LYS 29 HG2 LYS 29 15.011 -6.000 2.178 223 2HG LYS 29 HG1 LYS 29 16.012 -6.639 0.884 224 1HD LYS 29 HD2 LYS 29 16.214 -8.632 2.680 225 2HD LYS 29 HD1 LYS 29 14.600 -7.980 3.054 226 1HE LYS 29 HE2 LYS 29 14.131 -8.010 0.609 227 2HE LYS 29 HE1 LYS 29 15.650 -8.896 0.452 228 1HZ LYS 29 HZ3 LYS 29 14.686 -10.644 1.911 229 2HZ LYS 29 HZ2 LYS 29 13.225 -9.794 1.925 230 3HZ LYS 29 HZ1 LYS 29 13.805 -10.431 0.479 231 H HIS 30 HN HIS 30 19.002 -7.166 5.207 232 HA HIS 30 HA HIS 30 20.330 -4.548 5.367 233 1HB HIS 30 HB2 HIS 30 19.739 -5.557 7.604 234 2HB HIS 30 HB1 HIS 30 20.798 -6.901 7.110 235 HD1 HIS 30 HD1 HIS 30 20.922 -3.930 9.137 236 HD2 HIS 30 HD2 HIS 30 23.552 -5.909 6.604 237 HE1 HIS 30 HE1 HIS 30 23.222 -3.149 9.763 238 H GLU 31 HN GLU 31 21.995 -4.494 4.183 239 HA GLU 31 HA GLU 31 23.473 -6.943 3.631 240 1HB GLU 31 HB2 GLU 31 23.486 -6.616 1.244 241 2HB GLU 31 HB1 GLU 31 21.841 -6.713 1.868 242 1HG GLU 31 HG2 GLU 31 21.642 -4.291 1.695 243 2HG GLU 31 HG1 GLU 31 23.249 -4.240 0.953 244 H LYS 32 HN LYS 32 25.578 -6.699 3.213 245 HA LYS 32 HA LYS 32 26.647 -4.037 3.576 246 1HB LYS 32 HB2 LYS 32 27.811 -6.759 3.625 247 2HB LYS 32 HB1 LYS 32 28.849 -5.362 3.498 248 1HG LYS 32 HG2 LYS 32 27.777 -4.521 5.579 249 2HG LYS 32 HG1 LYS 32 26.969 -6.073 5.758 250 1HD LYS 32 HD2 LYS 32 29.928 -5.477 5.768 251 2HD LYS 32 HD1 LYS 32 28.955 -6.114 7.091 252 1HE LYS 32 HE2 LYS 32 29.558 -7.467 4.496 253 2HE LYS 32 HE1 LYS 32 30.350 -7.826 6.023 254 1HZ LYS 32 HZ3 LYS 32 27.422 -8.205 5.500 255 2HZ LYS 32 HZ2 LYS 32 28.549 -9.442 5.544 256 3HZ LYS 32 HZ1 LYS 32 28.218 -8.557 6.934 257 H VAL 33 HN VAL 33 27.401 -2.893 1.977 258 HA VAL 33 HA VAL 33 27.854 -4.348 -0.530 259 HB VAL 33 HB VAL 33 26.624 -2.992 -1.735 260 1HG1 VAL 33 1HG1 VAL 33 25.591 -2.171 0.896 261 2HG1 VAL 33 3HG1 VAL 33 24.801 -1.788 -0.622 262 3HG1 VAL 33 2HG1 VAL 33 24.995 -3.494 -0.144 263 1HG2 VAL 33 1HG2 VAL 33 28.110 -1.069 -1.624 264 2HG2 VAL 33 3HG2 VAL 33 26.407 -0.653 -1.713 265 3HG2 VAL 33 2HG2 VAL 33 27.270 -0.496 -0.161 266 H PHE 34 HN PHE 34 29.599 -3.802 -1.762 267 HA PHE 34 HA PHE 34 31.608 -2.219 -0.389 268 1HB PHE 34 HB2 PHE 34 31.704 -4.186 -2.656 269 2HB PHE 34 HB1 PHE 34 33.087 -3.185 -2.236 270 HD1 PHE 34 HD1 PHE 34 30.653 -5.490 -0.495 271 HD2 PHE 34 HD2 PHE 34 34.680 -4.151 -0.890 272 HE1 PHE 34 HE1 PHE 34 31.375 -7.185 1.112 273 HE2 PHE 34 HE2 PHE 34 35.394 -5.848 0.736 274 HZ PHE 34 HZ PHE 34 33.744 -7.366 1.734 275 H SER 35 HN SER 35 29.733 -2.378 -3.398 276 HA SER 35 HA SER 35 30.784 0.243 -4.046 277 1HB SER 35 HB2 SER 35 31.221 -1.482 -5.770 278 2HB SER 35 HB1 SER 35 29.485 -1.818 -5.828 279 HG SER 35 HG SER 35 30.725 0.654 -6.358 280 H MET 36 HN MET 36 29.386 1.698 -3.395 281 HA MET 36 HA MET 36 26.662 1.157 -2.837 282 1HB MET 36 HB2 MET 36 28.233 3.686 -3.163 283 2HB MET 36 HB1 MET 36 26.488 3.752 -3.007 284 1HG MET 36 HG2 MET 36 27.641 2.085 -0.941 285 2HG MET 36 HG1 MET 36 28.370 3.708 -0.987 286 1HE MET 36 HE3 MET 36 24.817 2.806 -2.166 287 2HE MET 36 HE2 MET 36 24.854 1.752 -0.750 288 3HE MET 36 HE1 MET 36 23.806 3.186 -0.780 289 H ASP 37 HN ASP 37 28.431 2.049 -5.551 290 HA ASP 37 HA ASP 37 26.285 3.006 -7.186 291 1HB ASP 37 HB2 ASP 37 28.661 3.557 -7.666 292 2HB ASP 37 HB1 ASP 37 28.963 1.870 -8.054 293 H ASP 38 HN ASP 38 27.580 -0.123 -6.409 294 HA ASP 38 HA ASP 38 26.169 -1.560 -8.462 295 1HB ASP 38 HB2 ASP 38 28.205 -2.490 -7.344 296 2HB ASP 38 HB1 ASP 38 27.279 -2.513 -5.839 297 H PHE 39 HN PHE 39 25.728 -0.804 -5.055 298 HA PHE 39 HA PHE 39 23.454 -2.205 -4.533 299 1HB PHE 39 HB2 PHE 39 24.755 -1.248 -2.808 300 2HB PHE 39 HB1 PHE 39 24.496 0.383 -3.416 301 HD1 PHE 39 HD1 PHE 39 23.082 -2.387 -1.472 302 HD2 PHE 39 HD2 PHE 39 22.388 1.467 -3.090 303 HE1 PHE 39 HE1 PHE 39 21.160 -2.116 0.032 304 HE2 PHE 39 HE2 PHE 39 20.460 1.745 -1.621 305 HZ PHE 39 HZ PHE 39 19.842 -0.022 -0.065 306 H TRP 40 HN TRP 40 23.897 1.112 -5.766 307 HA TRP 40 HA TRP 40 21.173 1.804 -5.854 308 1HB TRP 40 HB2 TRP 40 23.432 2.918 -7.505 309 2HB TRP 40 HB1 TRP 40 21.836 3.656 -7.359 310 HD1 TRP 40 HD1 TRP 40 25.054 4.394 -6.217 311 HE1 TRP 40 HE1 TRP 40 25.170 5.393 -3.871 312 HE3 TRP 40 HE3 TRP 40 20.372 3.163 -4.650 313 HZ2 TRP 40 HZ2 TRP 40 23.438 5.640 -1.622 314 HZ3 TRP 40 HZ3 TRP 40 19.675 3.808 -2.400 315 HH2 TRP 40 HH2 TRP 40 21.164 5.019 -0.922 316 H ALA 41 HN ALA 41 23.281 0.339 -8.191 317 HA ALA 41 HA ALA 41 21.403 0.341 -10.322 318 1HB ALA 41 HB1 ALA 41 22.898 -1.315 -11.360 319 2HB ALA 41 HB3 ALA 41 23.802 0.056 -10.716 320 3HB ALA 41 HB2 ALA 41 23.767 -1.470 -9.834 321 H ALA 42 HN ALA 42 22.092 -1.825 -7.676 322 HA ALA 42 HA ALA 42 20.544 -3.991 -8.536 323 1HB ALA 42 HB3 ALA 42 21.223 -3.159 -5.723 324 2HB ALA 42 HB2 ALA 42 20.678 -4.761 -6.227 325 3HB ALA 42 HB1 ALA 42 22.239 -4.142 -6.771 326 H TYR 43 HN TYR 43 19.675 -1.101 -6.633 327 HA TYR 43 HA TYR 43 16.870 -2.047 -6.639 328 1HB TYR 43 HB2 TYR 43 18.301 -0.085 -4.860 329 2HB TYR 43 HB1 TYR 43 16.574 -0.379 -4.823 330 HD1 TYR 43 HD1 TYR 43 19.871 -1.880 -4.117 331 HD2 TYR 43 HD2 TYR 43 15.661 -2.308 -3.817 332 HE1 TYR 43 HE1 TYR 43 20.176 -3.764 -2.568 333 HE2 TYR 43 HE2 TYR 43 15.946 -4.189 -2.275 334 HH TYR 43 HH TYR 43 19.033 -4.989 -0.934 335 H ALA 44 HN ALA 44 18.580 -0.409 -8.682 336 HA ALA 44 HA ALA 44 17.601 2.106 -8.916 337 1HB ALA 44 HB3 ALA 44 19.374 1.201 -10.313 338 2HB ALA 44 HB2 ALA 44 18.190 0.237 -11.197 339 3HB ALA 44 HB1 ALA 44 18.140 1.998 -11.291 340 H GLY 45 HN GLY 45 15.868 -0.835 -9.602 341 1HA GLY 45 HA1 GLY 45 13.735 -1.197 -10.472 342 2HA GLY 45 HA2 GLY 45 13.801 0.416 -11.158 343 H TRP 46 HN TRP 46 14.349 -0.067 -7.742 344 HA TRP 46 HA TRP 46 11.701 0.490 -6.861 345 1HB TRP 46 HB2 TRP 46 14.374 0.684 -5.458 346 2HB TRP 46 HB1 TRP 46 12.798 0.693 -4.685 347 HD1 TRP 46 HD1 TRP 46 14.887 -1.722 -6.883 348 HE1 TRP 46 HE1 TRP 46 14.486 -4.102 -6.025 349 HE3 TRP 46 HE3 TRP 46 11.564 -0.661 -3.199 350 HZ2 TRP 46 HZ2 TRP 46 12.949 -5.359 -4.050 351 HZ3 TRP 46 HZ3 TRP 46 10.666 -2.498 -1.867 352 HH2 TRP 46 HH2 TRP 46 11.347 -4.804 -2.283 353 H THR 47 HN THR 47 11.189 2.517 -5.707 354 HA THR 47 HA THR 47 12.416 4.827 -6.899 355 HB THR 47 HB THR 47 10.112 4.425 -4.994 356 HG1 THR 47 HG1 THR 47 10.223 4.854 -7.785 357 1HG2 THR 47 1HG2 THR 47 11.059 6.656 -4.827 358 2HG2 THR 47 3HG2 THR 47 10.931 6.863 -6.576 359 3HG2 THR 47 2HG2 THR 47 9.467 6.705 -5.588 360 H LEU 48 HN LEU 48 14.099 5.789 -5.845 361 HA LEU 48 HA LEU 48 14.781 5.047 -3.182 362 1HB LEU 48 HB2 LEU 48 16.462 5.619 -4.956 363 2HB LEU 48 HB1 LEU 48 15.884 7.264 -4.943 364 HG LEU 48 HG LEU 48 18.095 6.791 -3.771 365 1HD1 LEU 48 1HD1 LEU 48 16.870 8.873 -3.362 366 2HD1 LEU 48 3HD1 LEU 48 16.010 8.085 -2.027 367 3HD1 LEU 48 2HD1 LEU 48 17.767 8.292 -1.963 368 1HD2 LEU 48 2HD2 LEU 48 17.481 4.736 -2.645 369 2HD2 LEU 48 1HD2 LEU 48 17.996 5.973 -1.489 370 3HD2 LEU 48 3HD2 LEU 48 16.288 5.611 -1.687 371 H VAL 49 HN VAL 49 13.724 5.762 -1.542 372 HA VAL 49 HA VAL 49 12.087 8.108 -1.793 373 HB VAL 49 HB VAL 49 12.459 6.211 0.536 374 1HG1 VAL 49 1HG1 VAL 49 11.598 8.402 1.230 375 2HG1 VAL 49 3HG1 VAL 49 10.330 8.295 0.007 376 3HG1 VAL 49 2HG1 VAL 49 10.344 7.166 1.362 377 1HG2 VAL 49 2HG2 VAL 49 11.568 5.079 -1.411 378 2HG2 VAL 49 1HG2 VAL 49 10.320 5.250 -0.174 379 3HG2 VAL 49 3HG2 VAL 49 10.322 6.311 -1.581 380 H GLU 50 HN GLU 50 14.573 6.926 0.452 381 HA GLU 50 HA GLU 50 15.914 9.423 0.436 382 1HB GLU 50 HB2 GLU 50 15.776 9.770 2.911 383 2HB GLU 50 HB1 GLU 50 14.218 10.038 2.100 384 1HG GLU 50 HG2 GLU 50 13.549 7.856 2.847 385 2HG GLU 50 HG1 GLU 50 15.095 7.647 3.675 386 H GLN 51 HN GLN 51 17.903 9.249 1.545 387 HA GLN 51 HA GLN 51 18.579 6.623 2.537 388 1HB GLN 51 HB2 GLN 51 20.691 6.716 1.234 389 2HB GLN 51 HB1 GLN 51 19.217 6.534 0.282 390 1HG GLN 51 HG2 GLN 51 19.270 8.815 -0.383 391 2HG GLN 51 HG1 GLN 51 20.616 9.129 0.718 392 1HE2 GLN 51 1HE2 GLN 51 19.629 7.475 -2.116 393 2HE2 GLN 51 2HE2 GLN 51 21.213 7.191 -2.768 394 H LYS 52 HN LYS 52 20.162 6.622 4.023 395 HA LYS 52 HA LYS 52 21.589 9.056 4.613 396 1HB LYS 52 HB2 LYS 52 21.023 8.660 7.078 397 2HB LYS 52 HB1 LYS 52 19.743 9.347 6.078 398 1HG LYS 52 HG2 LYS 52 18.823 7.090 5.827 399 2HG LYS 52 HG1 LYS 52 19.985 6.476 7.008 400 1HD LYS 52 HD2 LYS 52 18.003 6.855 8.206 401 2HD LYS 52 HD1 LYS 52 18.998 8.272 8.553 402 1HE LYS 52 HE2 LYS 52 17.864 9.504 6.816 403 2HE LYS 52 HE1 LYS 52 16.902 8.074 6.439 404 1HZ LYS 52 HZ1 LYS 52 15.987 8.206 8.721 405 2HZ LYS 52 HZ3 LYS 52 16.847 9.636 8.962 406 3HZ LYS 52 HZ2 LYS 52 15.632 9.577 7.800 407 H LYS 53 HN LYS 53 23.247 8.438 6.420 408 HA LYS 53 HA LYS 53 24.796 6.360 5.286 409 1HB LYS 53 HB2 LYS 53 25.748 8.372 6.395 410 2HB LYS 53 HB1 LYS 53 25.211 7.733 7.939 411 1HG LYS 53 HG2 LYS 53 27.557 7.286 7.665 412 2HG LYS 53 HG1 LYS 53 26.658 5.769 7.608 413 1HD LYS 53 HD2 LYS 53 26.779 5.784 5.165 414 2HD LYS 53 HD1 LYS 53 27.665 7.307 5.206 415 1HE LYS 53 HE2 LYS 53 28.567 4.656 6.339 416 2HE LYS 53 HE1 LYS 53 29.160 5.421 4.864 417 1HZ LYS 53 HZ2 LYS 53 30.035 7.238 6.238 418 2HZ LYS 53 HZ1 LYS 53 29.489 6.464 7.628 419 3HZ LYS 53 HZ3 LYS 53 30.680 5.746 6.689 420 H GLY 54 HN GLY 54 23.925 4.386 5.409 421 1HA GLY 54 HA1 GLY 54 23.674 3.281 8.120 422 2HA GLY 54 HA2 GLY 54 24.319 2.379 6.755 423 H TYR 55 HN TYR 55 21.486 4.413 6.216 424 HA TYR 55 HA TYR 55 19.959 1.988 5.937 425 1HB TYR 55 HB2 TYR 55 19.257 2.671 8.053 426 2HB TYR 55 HB1 TYR 55 19.406 4.374 7.667 427 HD1 TYR 55 HD1 TYR 55 17.242 1.443 7.465 428 HD2 TYR 55 HD2 TYR 55 17.775 5.476 6.480 429 HE1 TYR 55 HE1 TYR 55 14.838 1.590 6.956 430 HE2 TYR 55 HE2 TYR 55 15.378 5.724 5.943 431 HH TYR 55 HH TYR 55 13.116 3.225 6.776 432 H VAL 56 HN VAL 56 18.666 2.017 4.201 433 HA VAL 56 HA VAL 56 18.275 4.560 2.797 434 HB VAL 56 HB VAL 56 19.000 1.904 1.506 435 1HG1 VAL 56 3HG1 VAL 56 17.305 3.082 0.206 436 2HG1 VAL 56 2HG1 VAL 56 18.299 4.543 0.229 437 3HG1 VAL 56 1HG1 VAL 56 18.862 3.107 -0.623 438 1HG2 VAL 56 3HG2 VAL 56 20.923 3.213 2.408 439 2HG2 VAL 56 2HG2 VAL 56 20.962 3.061 0.645 440 3HG2 VAL 56 1HG2 VAL 56 20.426 4.561 1.385 441 H LEU 57 HN LEU 57 16.239 4.857 1.989 442 HA LEU 57 HA LEU 57 14.268 2.782 2.570 443 1HB LEU 57 HB2 LEU 57 13.958 4.712 3.959 444 2HB LEU 57 HB1 LEU 57 14.165 5.790 2.607 445 HG LEU 57 HG LEU 57 11.879 5.283 1.814 446 1HD1 LEU 57 2HD1 LEU 57 11.838 3.120 3.761 447 2HD1 LEU 57 1HD1 LEU 57 10.461 3.834 2.855 448 3HD1 LEU 57 3HD1 LEU 57 11.820 3.187 1.960 449 1HD2 LEU 57 2HD2 LEU 57 11.949 5.665 4.786 450 2HD2 LEU 57 1HD2 LEU 57 12.074 6.923 3.552 451 3HD2 LEU 57 3HD2 LEU 57 10.582 5.995 3.706 452 H PHE 58 HN PHE 58 13.565 1.781 0.862 453 HA PHE 58 HA PHE 58 13.253 3.191 -1.729 454 1HB PHE 58 HB2 PHE 58 14.337 0.483 -1.110 455 2HB PHE 58 HB1 PHE 58 13.406 0.692 -2.580 456 HD1 PHE 58 HD1 PHE 58 16.595 0.991 -1.038 457 HD2 PHE 58 HD2 PHE 58 14.196 2.426 -4.218 458 HE1 PHE 58 HE1 PHE 58 18.610 1.716 -2.237 459 HE2 PHE 58 HE2 PHE 58 16.201 3.181 -5.412 460 HZ PHE 58 HZ PHE 58 18.414 2.819 -4.431 461 H ARG 59 HN ARG 59 11.442 2.636 -2.952 462 HA ARG 59 HA ARG 59 9.597 0.745 -1.712 463 1HB ARG 59 HB2 ARG 59 7.652 2.140 -2.310 464 2HB ARG 59 HB1 ARG 59 8.716 2.947 -1.161 465 1HG ARG 59 HG2 ARG 59 9.632 4.260 -3.009 466 2HG ARG 59 HG1 ARG 59 8.492 3.440 -4.099 467 1HD ARG 59 HD2 ARG 59 7.746 5.655 -3.340 468 2HD ARG 59 HD1 ARG 59 6.617 4.358 -2.921 469 HE ARG 59 HE ARG 59 8.059 4.494 -0.671 470 1HH1 ARG 59 1HH1 ARG 59 6.552 7.147 -2.461 471 2HH1 ARG 59 2HH1 ARG 59 6.441 8.137 -1.091 472 1HH2 ARG 59 1HH2 ARG 59 7.892 5.738 1.084 473 2HH2 ARG 59 2HH2 ARG 59 7.253 7.338 1.037 474 H LYS 60 HN LYS 60 8.428 -0.458 -3.036 475 HA LYS 60 HA LYS 60 8.697 -0.118 -5.927 476 1HB LYS 60 HB2 LYS 60 10.325 -1.761 -5.280 477 2HB LYS 60 HB1 LYS 60 9.157 -2.615 -4.268 478 1HG LYS 60 HG2 LYS 60 9.328 -3.942 -6.157 479 2HG LYS 60 HG1 LYS 60 7.928 -2.950 -6.543 480 1HD LYS 60 HD2 LYS 60 9.317 -3.029 -8.498 481 2HD LYS 60 HD1 LYS 60 9.493 -1.419 -7.801 482 1HE LYS 60 HE2 LYS 60 11.622 -1.856 -6.986 483 2HE LYS 60 HE1 LYS 60 11.499 -3.578 -7.129 484 1HZ LYS 60 HZ2 LYS 60 11.551 -1.717 -9.455 485 2HZ LYS 60 HZ1 LYS 60 12.805 -2.728 -8.898 486 3HZ LYS 60 HZ3 LYS 60 11.396 -3.383 -9.506 487 H GLN 61 HN GLN 61 6.686 -0.331 -6.802 488 HA GLN 61 HA GLN 61 4.693 -1.432 -5.003 489 1HB GLN 61 HB2 GLN 61 3.123 0.317 -5.825 490 2HB GLN 61 HB1 GLN 61 4.514 0.819 -4.854 491 1HG GLN 61 HG2 GLN 61 5.660 1.418 -6.896 492 2HG GLN 61 HG1 GLN 61 4.122 1.127 -7.755 493 1HE2 GLN 61 1HE2 GLN 61 5.834 3.066 -5.531 494 2HE2 GLN 61 2HE2 GLN 61 4.714 4.366 -5.370 495 H MET 62 HN MET 62 2.891 -2.405 -5.790 496 HA MET 62 HA MET 62 3.496 -3.687 -8.344 497 1HB MET 62 HB2 MET 62 2.131 -4.768 -5.891 498 2HB MET 62 HB1 MET 62 2.071 -5.591 -7.436 499 1HG MET 62 HG2 MET 62 3.776 -6.595 -6.110 500 2HG MET 62 HG1 MET 62 4.558 -5.705 -7.411 501 1HE MET 62 HE3 MET 62 6.243 -6.743 -5.067 502 2HE MET 62 HE2 MET 62 6.901 -5.688 -6.314 503 3HE MET 62 HE1 MET 62 7.200 -5.331 -4.613 504 H ASP 63 HN ASP 63 1.700 -4.593 -9.515 505 HA ASP 63 HA ASP 63 -0.414 -2.613 -9.859 506 1HB ASP 63 HB2 ASP 63 0.772 -3.356 -11.853 507 2HB ASP 63 HB1 ASP 63 0.416 -5.034 -11.479 508 H ASP 64 HN ASP 64 0.091 -5.510 -8.327 509 HA ASP 64 HA ASP 64 -2.644 -6.439 -8.503 510 1HB ASP 64 HB2 ASP 64 -0.757 -8.046 -8.483 511 2HB ASP 64 HB1 ASP 64 -0.339 -7.512 -6.860 512 H ILE 65 HN ILE 65 -3.889 -6.823 -6.552 513 HA ILE 65 HA ILE 65 -4.000 -4.508 -4.938 514 HB ILE 65 HB ILE 65 -5.750 -5.834 -3.621 515 1HG1 ILE 65 2HG1 ILE 65 -5.408 -7.673 -6.008 516 2HG1 ILE 65 1HG1 ILE 65 -5.075 -8.087 -4.330 517 1HG2 ILE 65 2HG2 ILE 65 -6.059 -5.124 -6.507 518 2HG2 ILE 65 1HG2 ILE 65 -7.418 -5.463 -5.414 519 3HG2 ILE 65 3HG2 ILE 65 -6.341 -4.102 -5.101 520 1HD1 ILE 65 1HD1 ILE 65 -7.460 -7.809 -3.825 521 2HD1 ILE 65 3HD1 ILE 65 -7.752 -7.438 -5.523 522 3HD1 ILE 65 2HD1 ILE 65 -7.164 -9.033 -5.058 523 H SER 66 HN SER 66 -3.184 -7.859 -4.126 524 HA SER 66 HA SER 66 -0.986 -7.589 -2.701 525 1HB SER 66 HB2 SER 66 -1.516 -7.399 -0.344 526 2HB SER 66 HB1 SER 66 -2.371 -6.059 -1.100 527 HG SER 66 HG SER 66 -4.256 -7.029 -0.698 528 HA PRO 67 HA PRO 67 -2.110 -11.896 -2.542 529 1HB PRO 67 HB2 PRO 67 -0.644 -12.817 -0.425 530 2HB PRO 67 HB1 PRO 67 0.062 -12.478 -2.010 531 1HG PRO 67 HG2 PRO 67 0.078 -10.816 0.472 532 2HG PRO 67 HG1 PRO 67 1.380 -11.089 -0.699 533 1HD PRO 67 HD2 PRO 67 -0.126 -8.846 -0.660 534 2HD PRO 67 HD1 PRO 67 0.555 -9.492 -2.157 535 H LEU 68 HN LEU 68 -2.413 -9.849 0.248 536 HA LEU 68 HA LEU 68 -3.765 -11.739 1.905 537 1HB LEU 68 HB2 LEU 68 -2.262 -9.651 2.503 538 2HB LEU 68 HB1 LEU 68 -3.779 -8.793 2.419 539 HG LEU 68 HG LEU 68 -3.215 -9.344 4.732 540 1HD1 LEU 68 2HD1 LEU 68 -5.605 -9.319 4.172 541 2HD1 LEU 68 1HD1 LEU 68 -5.507 -11.043 3.806 542 3HD1 LEU 68 3HD1 LEU 68 -5.235 -10.486 5.454 543 1HD2 LEU 68 2HD2 LEU 68 -1.857 -11.320 4.226 544 2HD2 LEU 68 1HD2 LEU 68 -3.038 -11.617 5.514 545 3HD2 LEU 68 3HD2 LEU 68 -3.328 -12.219 3.885 546 H SER 69 HN SER 69 -4.738 -8.983 -0.167 547 HA SER 69 HA SER 69 -7.340 -8.721 0.662 548 1HB SER 69 HB2 SER 69 -6.370 -8.466 -2.181 549 2HB SER 69 HB1 SER 69 -7.792 -7.681 -1.487 550 HG SER 69 HG SER 69 -6.528 -6.242 -0.494 551 H LYS 70 HN LYS 70 -5.920 -11.171 -1.307 552 HA LYS 70 HA LYS 70 -8.373 -12.211 -2.360 553 1HB LYS 70 HB2 LYS 70 -5.619 -13.435 -2.306 554 2HB LYS 70 HB1 LYS 70 -6.943 -13.845 -3.401 555 1HG LYS 70 HG2 LYS 70 -6.866 -11.666 -4.396 556 2HG LYS 70 HG1 LYS 70 -5.668 -11.136 -3.226 557 1HD LYS 70 HD2 LYS 70 -4.129 -12.865 -4.157 558 2HD LYS 70 HD1 LYS 70 -5.325 -13.143 -5.439 559 1HE LYS 70 HE2 LYS 70 -5.276 -10.726 -5.928 560 2HE LYS 70 HE1 LYS 70 -3.994 -10.543 -4.756 561 1HZ LYS 70 HZ2 LYS 70 -2.601 -12.020 -6.074 562 2HZ LYS 70 HZ1 LYS 70 -3.815 -12.146 -7.245 563 3HZ LYS 70 HZ3 LYS 70 -3.104 -10.650 -6.927 564 H VAL 71 HN VAL 71 -6.569 -12.599 0.548 565 HA VAL 71 HA VAL 71 -7.752 -15.221 1.045 566 HB VAL 71 HB VAL 71 -6.175 -15.625 2.749 567 1HG1 VAL 71 2HG1 VAL 71 -5.181 -15.619 0.542 568 2HG1 VAL 71 1HG1 VAL 71 -4.771 -13.911 0.807 569 3HG1 VAL 71 3HG1 VAL 71 -4.002 -15.151 1.795 570 1HG2 VAL 71 3HG2 VAL 71 -6.378 -13.557 4.032 571 2HG2 VAL 71 2HG2 VAL 71 -4.683 -13.989 3.770 572 3HG2 VAL 71 1HG2 VAL 71 -5.439 -12.721 2.796 573 H ASN 72 HN ASN 72 -7.709 -11.972 2.336 574 HA ASN 72 HA ASN 72 -10.245 -12.432 3.742 575 1HB ASN 72 HB2 ASN 72 -8.145 -13.133 5.204 576 2HB ASN 72 HB1 ASN 72 -7.959 -11.401 5.411 577 1HD2 ASN 72 1HD2 ASN 72 -8.472 -13.381 7.387 578 2HD2 ASN 72 2HD2 ASN 72 -9.950 -12.977 8.178 579 H GLY 73 HN GLY 73 -9.414 -10.791 1.573 580 1HA GLY 73 HA1 GLY 73 -9.215 -8.620 0.854 581 2HA GLY 73 HA2 GLY 73 -8.925 -8.101 2.515 582 H TYR 74 HN TYR 74 -10.363 -6.411 2.492 583 HA TYR 74 HA TYR 74 -13.118 -6.759 1.845 584 1HB TYR 74 HB2 TYR 74 -12.131 -6.584 4.695 585 2HB TYR 74 HB1 TYR 74 -13.718 -6.014 4.215 586 HD1 TYR 74 HD1 TYR 74 -15.382 -7.608 3.435 587 HD2 TYR 74 HD2 TYR 74 -11.676 -8.913 4.988 588 HE1 TYR 74 HE1 TYR 74 -16.336 -9.746 3.788 589 HE2 TYR 74 HE2 TYR 74 -12.612 -11.152 5.337 590 HH TYR 74 HH TYR 74 -14.839 -12.121 5.692 591 H ILE 75 HN ILE 75 -13.188 -4.964 0.758 592 HA ILE 75 HA ILE 75 -11.950 -2.534 1.655 593 HB ILE 75 HB ILE 75 -13.951 -3.230 -0.440 594 1HG1 ILE 75 2HG1 ILE 75 -11.207 -2.086 -0.697 595 2HG1 ILE 75 1HG1 ILE 75 -11.560 -3.811 -0.727 596 1HG2 ILE 75 2HG2 ILE 75 -14.491 -0.922 0.343 597 2HG2 ILE 75 1HG2 ILE 75 -12.806 -0.452 0.132 598 3HG2 ILE 75 3HG2 ILE 75 -13.792 -0.847 -1.275 599 1HD1 ILE 75 1HD1 ILE 75 -12.950 -3.387 -2.752 600 2HD1 ILE 75 3HD1 ILE 75 -12.457 -1.699 -2.695 601 3HD1 ILE 75 2HD1 ILE 75 -11.258 -2.961 -2.983 602 H GLY 76 HN GLY 76 -12.735 -1.348 3.202 603 1HA GLY 76 HA1 GLY 76 -14.338 -1.760 5.093 604 2HA GLY 76 HA2 GLY 76 -15.576 -1.660 3.850 605 H VAL 77 HN VAL 77 -16.582 0.073 4.587 606 HA VAL 77 HA VAL 77 -14.896 2.433 4.623 607 HB VAL 77 HB VAL 77 -16.729 3.865 4.111 608 1HG1 VAL 77 3HG1 VAL 77 -16.440 1.623 2.156 609 2HG1 VAL 77 2HG1 VAL 77 -17.203 3.181 1.800 610 3HG1 VAL 77 1HG1 VAL 77 -15.504 3.105 2.285 611 1HG2 VAL 77 1HG2 VAL 77 -18.398 1.383 4.034 612 2HG2 VAL 77 3HG2 VAL 77 -18.522 2.763 5.142 613 3HG2 VAL 77 2HG2 VAL 77 -18.917 2.966 3.422 614 H SER 78 HN SER 78 -15.179 3.951 6.056 615 HA SER 78 HA SER 78 -16.407 3.071 8.542 616 1HB SER 78 HB2 SER 78 -14.890 5.635 7.964 617 2HB SER 78 HB1 SER 78 -15.231 4.922 9.543 618 HG SER 78 HG SER 78 -14.011 3.055 8.274 619 H ASP 79 HN ASP 79 -17.741 4.978 9.592 620 HA ASP 79 HA ASP 79 -20.122 5.219 8.233 621 1HB ASP 79 HB2 ASP 79 -19.896 5.522 10.638 622 2HB ASP 79 HB1 ASP 79 -19.079 7.057 10.377 623 H ASN 80 HN ASN 80 -17.446 7.380 8.057 624 HA ASN 80 HA ASN 80 -18.983 9.396 6.630 625 1HB ASN 80 HB2 ASN 80 -16.125 9.326 7.565 626 2HB ASN 80 HB1 ASN 80 -16.744 10.560 6.480 627 1HD2 ASN 80 1HD2 ASN 80 -16.842 9.298 9.670 628 2HD2 ASN 80 2HD2 ASN 80 -17.624 10.641 10.427 629 H GLY 81 HN GLY 81 -18.256 6.649 5.578 630 1HA GLY 81 HA1 GLY 81 -17.989 7.427 2.870 631 2HA GLY 81 HA2 GLY 81 -17.994 5.781 3.491 632 H VAL 82 HN VAL 82 -15.882 6.042 5.226 633 HA VAL 82 HA VAL 82 -13.598 6.982 3.731 634 HB VAL 82 HB VAL 82 -13.570 5.295 6.252 635 1HG1 VAL 82 2HG1 VAL 82 -11.453 5.381 5.042 636 2HG1 VAL 82 1HG1 VAL 82 -11.498 7.142 5.082 637 3HG1 VAL 82 3HG1 VAL 82 -11.344 6.226 6.585 638 1HG2 VAL 82 3HG2 VAL 82 -14.885 7.351 6.594 639 2HG2 VAL 82 2HG2 VAL 82 -13.378 7.398 7.503 640 3HG2 VAL 82 1HG2 VAL 82 -13.533 8.305 6.000 641 H ILE 83 HN ILE 83 -12.604 5.906 2.295 642 HA ILE 83 HA ILE 83 -13.563 3.338 1.358 643 HB ILE 83 HB ILE 83 -11.565 5.203 0.004 644 1HG1 ILE 83 2HG1 ILE 83 -13.574 6.426 0.452 645 2HG1 ILE 83 1HG1 ILE 83 -13.577 5.994 -1.255 646 1HG2 ILE 83 2HG2 ILE 83 -11.619 2.919 -0.972 647 2HG2 ILE 83 1HG2 ILE 83 -13.361 3.048 -1.173 648 3HG2 ILE 83 3HG2 ILE 83 -12.287 4.108 -2.097 649 1HD1 ILE 83 1HD1 ILE 83 -15.046 4.592 0.932 650 2HD1 ILE 83 3HD1 ILE 83 -15.781 5.696 -0.238 651 3HD1 ILE 83 2HD1 ILE 83 -15.098 4.149 -0.777 652 H SER 84 HN SER 84 -12.207 2.728 3.529 653 HA SER 84 HA SER 84 -9.379 2.277 2.719 654 1HB SER 84 HB2 SER 84 -10.583 2.067 5.464 655 2HB SER 84 HB1 SER 84 -8.864 2.093 5.037 656 HG SER 84 HG SER 84 -10.547 4.073 4.166 657 H THR 85 HN THR 85 -8.433 0.166 2.948 658 HA THR 85 HA THR 85 -10.426 -1.904 3.029 659 HB THR 85 HB THR 85 -8.586 -3.426 2.395 660 HG1 THR 85 HG1 THR 85 -6.540 -2.630 2.093 661 1HG2 THR 85 1HG2 THR 85 -8.703 -0.871 0.768 662 2HG2 THR 85 3HG2 THR 85 -8.084 -2.421 0.188 663 3HG2 THR 85 2HG2 THR 85 -9.781 -2.252 0.638 664 H PHE 86 HN PHE 86 -10.374 -3.590 4.524 665 HA PHE 86 HA PHE 86 -8.947 -2.889 6.951 666 1HB PHE 86 HB2 PHE 86 -11.764 -3.895 6.635 667 2HB PHE 86 HB1 PHE 86 -10.895 -4.054 8.151 668 HD1 PHE 86 HD1 PHE 86 -11.327 -2.486 9.707 669 HD2 PHE 86 HD2 PHE 86 -11.558 -1.420 5.635 670 HE1 PHE 86 HE1 PHE 86 -12.068 -0.222 10.373 671 HE2 PHE 86 HE2 PHE 86 -12.315 0.867 6.259 672 HZ PHE 86 HZ PHE 86 -12.564 1.456 8.640 673 H HIS 87 HN HIS 87 -8.328 -4.678 8.246 674 HA HIS 87 HA HIS 87 -7.773 -7.039 6.661 675 1HB HIS 87 HB2 HIS 87 -6.042 -5.975 8.171 676 2HB HIS 87 HB1 HIS 87 -7.038 -6.460 9.541 677 HD1 HIS 87 HD1 HIS 87 -7.051 -9.042 10.142 678 HD2 HIS 87 HD2 HIS 87 -4.603 -7.986 6.950 679 HE1 HIS 87 HE1 HIS 87 -5.542 -10.989 9.748 680 H GLY 88 HN GLY 88 -9.529 -8.251 6.487 681 1HA GLY 88 HA1 GLY 88 -10.766 -9.269 8.895 682 2HA GLY 88 HA2 GLY 88 -11.071 -9.782 7.235 683 H ARG 89 HN ARG 89 -13.174 -9.404 8.838 684 HA ARG 89 HA ARG 89 -14.812 -7.609 7.495 685 1HB ARG 89 HB2 ARG 89 -15.120 -8.839 10.217 686 2HB ARG 89 HB1 ARG 89 -16.360 -7.858 9.461 687 1HG ARG 89 HG2 ARG 89 -15.285 -10.440 8.328 688 2HG ARG 89 HG1 ARG 89 -16.767 -10.266 9.276 689 1HD ARG 89 HD2 ARG 89 -17.582 -8.649 7.555 690 2HD ARG 89 HD1 ARG 89 -16.163 -9.038 6.594 691 HE ARG 89 HE ARG 89 -17.537 -11.394 7.267 692 1HH1 ARG 89 1HH1 ARG 89 -17.844 -8.558 5.134 693 2HH1 ARG 89 2HH1 ARG 89 -18.833 -9.342 3.999 694 1HH2 ARG 89 1HH2 ARG 89 -18.932 -12.455 5.660 695 2HH2 ARG 89 2HH2 ARG 89 -19.463 -11.595 4.298 696 HA PRO 90 HA PRO 90 -13.530 -3.782 9.406 697 1HB PRO 90 HB2 PRO 90 -15.664 -2.351 8.261 698 2HB PRO 90 HB1 PRO 90 -14.040 -2.502 7.596 699 1HG PRO 90 HG2 PRO 90 -16.523 -3.819 6.788 700 2HG PRO 90 HG1 PRO 90 -15.036 -3.617 5.866 701 1HD PRO 90 HD2 PRO 90 -15.963 -5.956 7.055 702 2HD PRO 90 HD1 PRO 90 -14.314 -5.735 6.482 703 H GLU 91 HN GLU 91 -13.945 -3.820 11.457 704 HA GLU 91 HA GLU 91 -16.621 -3.247 12.439 705 1HB GLU 91 HB2 GLU 91 -16.363 -5.034 14.169 706 2HB GLU 91 HB1 GLU 91 -16.312 -5.693 12.552 707 1HG GLU 91 HG2 GLU 91 -13.868 -5.790 12.679 708 2HG GLU 91 HG1 GLU 91 -13.950 -5.198 14.339 709 HA PRO 92 HA PRO 92 -14.305 -0.436 15.035 710 1HB PRO 92 HB2 PRO 92 -15.159 -0.932 17.601 711 2HB PRO 92 HB1 PRO 92 -16.054 0.061 16.438 712 1HG PRO 92 HG2 PRO 92 -16.473 -2.770 17.266 713 2HG PRO 92 HG1 PRO 92 -17.670 -1.534 16.847 714 1HD PRO 92 HD2 PRO 92 -16.899 -3.544 15.183 715 2HD PRO 92 HD1 PRO 92 -17.480 -1.966 14.578 716 H ALA 93 HN ALA 93 -14.191 -3.770 15.786 717 HA ALA 93 HA ALA 93 -11.847 -3.528 17.474 718 1HB ALA 93 HB3 ALA 93 -13.535 -5.203 18.002 719 2HB ALA 93 HB1 ALA 93 -11.985 -5.971 17.648 720 3HB ALA 93 HB2 ALA 93 -13.278 -5.976 16.440 721 H SER 94 HN SER 94 -12.387 -3.267 14.299 722 HA SER 94 HA SER 94 -9.778 -4.415 13.596 723 1HB SER 94 HB2 SER 94 -11.739 -5.410 12.350 724 2HB SER 94 HB1 SER 94 -12.103 -3.803 11.729 725 HG SER 94 HG SER 94 -10.179 -5.609 10.966 726 H GLU 95 HN GLU 95 -8.894 -3.020 11.630 727 HA GLU 95 HA GLU 95 -9.396 -0.219 12.146 728 1HB GLU 95 HB2 GLU 95 -6.973 0.236 12.377 729 2HB GLU 95 HB1 GLU 95 -7.615 -0.757 13.677 730 1HG GLU 95 HG2 GLU 95 -6.692 -2.741 12.648 731 2HG GLU 95 HG1 GLU 95 -6.104 -1.772 11.295 732 HA PRO 96 HA PRO 96 -8.724 0.060 7.742 733 1HB PRO 96 HB2 PRO 96 -7.535 2.718 8.156 734 2HB PRO 96 HB1 PRO 96 -9.015 2.288 7.295 735 1HG PRO 96 HG2 PRO 96 -9.042 3.578 9.640 736 2HG PRO 96 HG1 PRO 96 -10.311 2.420 9.188 737 1HD PRO 96 HD2 PRO 96 -7.976 2.062 11.025 738 2HD PRO 96 HD1 PRO 96 -9.637 1.465 11.191 739 H ILE 97 HN ILE 97 -7.112 -0.588 6.547 740 HA ILE 97 HA ILE 97 -4.483 -1.007 7.618 741 HB ILE 97 HB ILE 97 -5.568 -1.370 4.812 742 1HG1 ILE 97 2HG1 ILE 97 -5.224 -3.440 6.993 743 2HG1 ILE 97 1HG1 ILE 97 -6.738 -2.621 6.637 744 1HG2 ILE 97 3HG2 ILE 97 -3.059 -2.460 6.086 745 2HG2 ILE 97 2HG2 ILE 97 -3.699 -2.951 4.514 746 3HG2 ILE 97 1HG2 ILE 97 -3.157 -1.293 4.766 747 1HD1 ILE 97 2HD1 ILE 97 -5.229 -4.310 4.653 748 2HD1 ILE 97 1HD1 ILE 97 -6.608 -4.837 5.653 749 3HD1 ILE 97 3HD1 ILE 97 -6.823 -3.543 4.486 750 H GLN 98 HN GLN 98 -5.996 1.232 5.504 751 HA GLN 98 HA GLN 98 -3.895 3.159 5.641 752 1HB GLN 98 HB2 GLN 98 -3.337 3.259 3.328 753 2HB GLN 98 HB1 GLN 98 -3.455 1.527 3.565 754 1HG GLN 98 HG2 GLN 98 -5.594 3.305 2.376 755 2HG GLN 98 HG1 GLN 98 -4.509 2.250 1.487 756 1HE2 GLN 98 1HE2 GLN 98 -4.734 0.063 3.338 757 2HE2 GLN 98 2HE2 GLN 98 -6.309 -0.602 3.058 758 H SER 99 HN SER 99 -5.018 5.048 4.042 759 HA SER 99 HA SER 99 -7.838 4.574 3.937 760 1HB SER 99 HB2 SER 99 -6.623 6.979 5.314 761 2HB SER 99 HB1 SER 99 -8.332 6.813 4.911 762 HG SER 99 HG SER 99 -7.750 4.620 6.084 763 H PHE 100 HN PHE 100 -8.667 5.294 2.033 764 HA PHE 100 HA PHE 100 -6.902 6.799 0.322 765 1HB PHE 100 HB2 PHE 100 -9.472 5.315 -0.214 766 2HB PHE 100 HB1 PHE 100 -8.735 6.363 -1.416 767 HD1 PHE 100 HD1 PHE 100 -8.562 3.161 0.292 768 HD2 PHE 100 HD2 PHE 100 -6.582 5.780 -2.407 769 HE1 PHE 100 HE1 PHE 100 -7.128 1.306 -0.456 770 HE2 PHE 100 HE2 PHE 100 -5.146 3.932 -3.157 771 HZ PHE 100 HZ PHE 100 -5.422 1.693 -2.182 772 H PHE 101 HN PHE 101 -10.446 7.036 0.785 773 HA PHE 101 HA PHE 101 -10.228 9.789 1.453 774 1HB PHE 101 HB2 PHE 101 -11.528 10.604 -0.547 775 2HB PHE 101 HB1 PHE 101 -9.896 10.053 -0.896 776 HD1 PHE 101 HD1 PHE 101 -9.498 8.138 -2.279 777 HD2 PHE 101 HD2 PHE 101 -13.465 9.337 -1.336 778 HE1 PHE 101 HE1 PHE 101 -10.355 6.669 -4.055 779 HE2 PHE 101 HE2 PHE 101 -14.328 7.871 -3.108 780 HZ PHE 101 HZ PHE 101 -12.773 6.534 -4.467 781 H GLN 102 HN GLN 102 -12.718 10.689 0.988 782 HA GLN 102 HA GLN 102 -14.462 8.844 2.464 783 1HB GLN 102 HB2 GLN 102 -13.800 11.715 2.872 784 2HB GLN 102 HB1 GLN 102 -15.405 11.140 3.286 785 1HG GLN 102 HG2 GLN 102 -14.617 9.717 4.899 786 2HG GLN 102 HG1 GLN 102 -12.949 9.781 4.347 787 1HE2 GLN 102 1HE2 GLN 102 -15.503 11.479 5.928 788 2HE2 GLN 102 2HE2 GLN 102 -14.543 12.651 6.736 789 H ILE 103 HN ILE 103 -16.671 8.954 2.032 790 HA ILE 103 HA ILE 103 -17.688 10.678 -0.089 791 HB ILE 103 HB ILE 103 -18.721 8.842 -1.362 792 1HG1 ILE 103 2HG1 ILE 103 -17.364 6.938 0.566 793 2HG1 ILE 103 1HG1 ILE 103 -19.076 7.330 0.594 794 1HG2 ILE 103 3HG2 ILE 103 -15.809 8.285 -0.941 795 2HG2 ILE 103 2HG2 ILE 103 -16.792 7.712 -2.290 796 3HG2 ILE 103 1HG2 ILE 103 -16.518 9.439 -2.069 797 1HD1 ILE 103 2HD1 ILE 103 -19.311 6.432 -1.650 798 2HD1 ILE 103 1HD1 ILE 103 -17.603 5.999 -1.653 799 3HD1 ILE 103 3HD1 ILE 103 -18.709 5.217 -0.512 800 H ASP 104 HN ASP 104 -20.100 10.668 -0.082 801 HA ASP 104 HA ASP 104 -21.071 10.150 2.593 802 1HB ASP 104 HB2 ASP 104 -22.000 11.909 0.393 803 2HB ASP 104 HB1 ASP 104 -23.261 11.144 1.340 804 H LEU 105 HN LEU 105 -21.847 8.291 3.121 805 HA LEU 105 HA LEU 105 -22.817 6.373 1.236 806 1HB LEU 105 HB2 LEU 105 -23.244 6.485 4.213 807 2HB LEU 105 HB1 LEU 105 -23.600 5.123 3.180 808 HG LEU 105 HG LEU 105 -20.965 6.132 4.152 809 1HD1 LEU 105 3HD1 LEU 105 -22.343 3.489 3.999 810 2HD1 LEU 105 2HD1 LEU 105 -20.722 3.717 4.673 811 3HD1 LEU 105 1HD1 LEU 105 -22.132 4.465 5.449 812 1HD2 LEU 105 3HD2 LEU 105 -20.728 5.918 1.717 813 2HD2 LEU 105 2HD2 LEU 105 -19.827 4.652 2.561 814 3HD2 LEU 105 1HD2 LEU 105 -21.381 4.286 1.803 815 H GLU 106 HN GLU 106 -24.270 8.886 3.100 816 HA GLU 106 HA GLU 106 -26.931 8.035 2.708 817 1HB GLU 106 HB2 GLU 106 -27.480 10.430 3.250 818 2HB GLU 106 HB1 GLU 106 -26.509 9.561 4.438 819 1HG GLU 106 HG2 GLU 106 -24.545 10.679 3.804 820 2HG GLU 106 HG1 GLU 106 -25.312 11.347 2.363 821 H ARG 107 HN ARG 107 -24.630 9.431 0.587 822 HA ARG 107 HA ARG 107 -26.748 10.236 -1.228 823 1HB ARG 107 HB2 ARG 107 -25.286 11.686 -2.178 824 2HB ARG 107 HB1 ARG 107 -24.464 11.489 -0.638 825 1HG ARG 107 HG2 ARG 107 -22.973 9.853 -1.620 826 2HG ARG 107 HG1 ARG 107 -23.829 10.038 -3.160 827 1HD ARG 107 HD2 ARG 107 -22.142 12.100 -1.718 828 2HD ARG 107 HD1 ARG 107 -21.852 11.352 -3.270 829 HE ARG 107 HE ARG 107 -24.323 12.723 -3.188 830 1HH1 ARG 107 1HH1 ARG 107 -20.902 13.321 -3.399 831 2HH1 ARG 107 2HH1 ARG 107 -20.984 14.611 -4.520 832 1HH2 ARG 107 1HH2 ARG 107 -24.550 14.504 -4.695 833 2HH2 ARG 107 2HH2 ARG 107 -23.176 15.338 -5.261 834 H LEU 108 HN LEU 108 -24.752 7.656 -0.494 835 HA LEU 108 HA LEU 108 -24.649 6.249 -2.960 836 1HB LEU 108 HB2 LEU 108 -24.431 5.411 -0.107 837 2HB LEU 108 HB1 LEU 108 -25.094 4.202 -1.173 838 HG LEU 108 HG LEU 108 -23.240 4.405 -2.595 839 1HD1 LEU 108 1HD1 LEU 108 -22.458 6.703 -1.884 840 2HD1 LEU 108 3HD1 LEU 108 -21.938 5.906 -0.372 841 3HD1 LEU 108 2HD1 LEU 108 -21.198 5.441 -1.892 842 1HD2 LEU 108 1HD2 LEU 108 -23.290 2.707 -1.008 843 2HD2 LEU 108 3HD2 LEU 108 -21.635 3.238 -1.283 844 3HD2 LEU 108 2HD2 LEU 108 -22.486 3.755 0.172 845 H GLU 109 HN GLU 109 -25.860 4.373 -3.544 846 HA GLU 109 HA GLU 109 -28.466 5.187 -4.001 847 1HB GLU 109 HB2 GLU 109 -28.615 2.735 -4.956 848 2HB GLU 109 HB1 GLU 109 -27.808 4.048 -5.790 849 1HG GLU 109 HG2 GLU 109 -26.513 2.169 -5.947 850 2HG GLU 109 HG1 GLU 109 -25.663 3.252 -4.883 851 H SER 110 HN SER 110 -27.304 2.419 -2.151 852 HA SER 110 HA SER 110 -28.950 2.674 0.013 853 1HB SER 110 HB2 SER 110 -30.871 2.226 -1.523 854 2HB SER 110 HB1 SER 110 -30.119 0.710 -2.000 855 HG SER 110 HG SER 110 -31.665 1.266 0.103 856 H HIS 111 HN HIS 111 -27.979 0.036 -2.202 857 HA HIS 111 HA HIS 111 -27.377 -1.581 0.088 858 1HB HIS 111 HB2 HIS 111 -27.501 -2.253 -2.825 859 2HB HIS 111 HB1 HIS 111 -26.939 -3.397 -1.608 860 HD1 HIS 111 HD1 HIS 111 -30.006 -2.033 -3.117 861 HD2 HIS 111 HD2 HIS 111 -28.920 -4.057 0.343 862 HE1 HIS 111 HE1 HIS 111 -32.150 -2.926 -2.123 863 H MET 112 HN MET 112 -25.400 0.166 -2.215 864 HA MET 112 HA MET 112 -23.181 -1.555 -1.870 865 1HB MET 112 HB2 MET 112 -23.112 1.325 -2.679 866 2HB MET 112 HB1 MET 112 -21.742 0.231 -2.685 867 1HG MET 112 HG2 MET 112 -23.261 -1.194 -4.262 868 2HG MET 112 HG1 MET 112 -24.089 0.350 -4.499 869 1HE MET 112 HE3 MET 112 -22.504 2.626 -4.801 870 2HE MET 112 HE2 MET 112 -21.233 1.968 -3.767 871 3HE MET 112 HE1 MET 112 -20.825 2.543 -5.387 872 H GLN 113 HN GLN 113 -24.228 1.253 -0.080 873 HA GLN 113 HA GLN 113 -21.865 1.515 1.318 874 1HB GLN 113 HB2 GLN 113 -23.580 2.330 3.254 875 2HB GLN 113 HB1 GLN 113 -23.002 3.375 1.971 876 1HG GLN 113 HG2 GLN 113 -24.942 3.373 0.997 877 2HG GLN 113 HG1 GLN 113 -25.275 1.743 1.436 878 1HE2 GLN 113 1HE2 GLN 113 -25.500 5.052 2.383 879 2HE2 GLN 113 2HE2 GLN 113 -26.341 4.812 3.862 880 H LYS 114 HN LYS 114 -24.850 -0.384 2.290 881 HA LYS 114 HA LYS 114 -23.940 -1.527 4.518 882 1HB LYS 114 HB2 LYS 114 -25.538 -2.619 2.246 883 2HB LYS 114 HB1 LYS 114 -25.285 -3.504 3.737 884 1HG LYS 114 HG2 LYS 114 -27.406 -2.466 3.639 885 2HG LYS 114 HG1 LYS 114 -26.427 -1.711 4.946 886 1HD LYS 114 HD2 LYS 114 -26.174 0.200 3.531 887 2HD LYS 114 HD1 LYS 114 -26.990 -0.634 2.204 888 1HE LYS 114 HE2 LYS 114 -29.042 -0.745 3.525 889 2HE LYS 114 HE1 LYS 114 -28.230 0.057 4.869 890 1HZ LYS 114 HZ3 LYS 114 -28.524 1.280 2.186 891 2HZ LYS 114 HZ2 LYS 114 -29.593 1.593 3.459 892 3HZ LYS 114 HZ1 LYS 114 -27.967 1.992 3.587 893 H ASN 115 HN ASN 115 -23.137 -2.406 1.157 894 HA ASN 115 HA ASN 115 -21.868 -4.883 1.713 895 1HB ASN 115 HB2 ASN 115 -21.212 -2.943 -0.525 896 2HB ASN 115 HB1 ASN 115 -20.712 -4.620 -0.452 897 1HD2 ASN 115 1HD2 ASN 115 -22.063 -3.354 -2.515 898 2HD2 ASN 115 2HD2 ASN 115 -23.611 -4.064 -2.732 899 H LEU 116 HN LEU 116 -20.767 -1.610 1.427 900 HA LEU 116 HA LEU 116 -18.006 -2.074 1.854 901 1HB LEU 116 HB2 LEU 116 -19.597 0.439 2.353 902 2HB LEU 116 HB1 LEU 116 -17.870 0.312 2.084 903 HG LEU 116 HG LEU 116 -19.986 -0.280 -0.006 904 1HD1 LEU 116 1HD1 LEU 116 -19.980 2.052 0.615 905 2HD1 LEU 116 3HD1 LEU 116 -18.248 2.141 0.273 906 3HD1 LEU 116 2HD1 LEU 116 -19.395 1.782 -1.021 907 1HD2 LEU 116 3HD2 LEU 116 -17.914 -1.502 -0.367 908 2HD2 LEU 116 2HD2 LEU 116 -18.153 -0.230 -1.571 909 3HD2 LEU 116 1HD2 LEU 116 -16.993 0.004 -0.255 910 H LEU 117 HN LEU 117 -20.761 -1.668 3.991 911 HA LEU 117 HA LEU 117 -19.369 -1.024 6.350 912 1HB LEU 117 HB2 LEU 117 -21.989 -2.498 6.128 913 2HB LEU 117 HB1 LEU 117 -21.356 -1.735 7.565 914 HG LEU 117 HG LEU 117 -22.369 -0.404 5.076 915 1HD1 LEU 117 1HD1 LEU 117 -24.086 -1.202 6.587 916 2HD1 LEU 117 3HD1 LEU 117 -23.333 -0.327 7.919 917 3HD1 LEU 117 2HD1 LEU 117 -24.028 0.557 6.561 918 1HD2 LEU 117 2HD2 LEU 117 -21.087 0.858 7.484 919 2HD2 LEU 117 1HD2 LEU 117 -20.457 0.799 5.824 920 3HD2 LEU 117 3HD2 LEU 117 -21.926 1.711 6.172 921 H LYS 118 HN LYS 118 -20.410 -4.134 4.985 922 HA LYS 118 HA LYS 118 -19.002 -5.436 7.199 923 1HB LYS 118 HB2 LYS 118 -20.010 -7.505 6.697 924 2HB LYS 118 HB1 LYS 118 -21.275 -6.306 6.549 925 1HG LYS 118 HG2 LYS 118 -19.759 -7.272 4.175 926 2HG LYS 118 HG1 LYS 118 -21.093 -8.199 4.867 927 1HD LYS 118 HD2 LYS 118 -21.335 -5.337 3.956 928 2HD LYS 118 HD1 LYS 118 -21.669 -6.715 2.907 929 1HE LYS 118 HE2 LYS 118 -23.035 -6.239 5.546 930 2HE LYS 118 HE1 LYS 118 -23.687 -5.713 3.996 931 1HZ LYS 118 HZ3 LYS 118 -23.121 -8.546 4.755 932 2HZ LYS 118 HZ2 LYS 118 -24.632 -7.818 4.719 933 3HZ LYS 118 HZ1 LYS 118 -23.779 -8.019 3.291 934 H GLY 119 HN GLY 119 -18.402 -4.484 4.089 935 1HA GLY 119 HA1 GLY 119 -15.838 -5.790 4.277 936 2HA GLY 119 HA2 GLY 119 -16.242 -4.384 3.292 937 H ILE 120 HN ILE 120 -15.560 -5.251 1.391 938 HA ILE 120 HA ILE 120 -17.419 -7.124 0.224 939 HB ILE 120 HB ILE 120 -14.908 -6.233 -1.183 940 1HG1 ILE 120 2HG1 ILE 120 -15.890 -4.140 -0.395 941 2HG1 ILE 120 1HG1 ILE 120 -16.234 -4.310 -2.114 942 1HG2 ILE 120 2HG2 ILE 120 -16.359 -8.022 -2.088 943 2HG2 ILE 120 1HG2 ILE 120 -17.691 -6.906 -2.147 944 3HG2 ILE 120 3HG2 ILE 120 -16.276 -6.617 -3.176 945 1HD1 ILE 120 3HD1 ILE 120 -18.486 -5.100 -1.525 946 2HD1 ILE 120 2HD1 ILE 120 -18.082 -4.825 0.174 947 3HD1 ILE 120 1HD1 ILE 120 -18.160 -3.458 -0.938 948 HA PRO 121 HA PRO 121 -14.772 -10.406 1.615 949 1HB PRO 121 HB2 PRO 121 -16.390 -12.441 1.042 950 2HB PRO 121 HB1 PRO 121 -16.787 -11.287 2.317 951 1HG PRO 121 HG2 PRO 121 -17.800 -11.387 -0.505 952 2HG PRO 121 HG1 PRO 121 -18.722 -11.127 0.973 953 1HD PRO 121 HD2 PRO 121 -17.931 -9.122 -0.647 954 2HD PRO 121 HD1 PRO 121 -18.168 -8.932 1.103 955 H PHE 122 HN PHE 122 -15.097 -9.502 -1.431 956 HA PHE 122 HA PHE 122 -13.320 -11.555 -2.435 957 1HB PHE 122 HB2 PHE 122 -14.624 -11.996 -4.513 958 2HB PHE 122 HB1 PHE 122 -15.491 -12.522 -3.081 959 HD1 PHE 122 HD1 PHE 122 -17.520 -11.339 -2.381 960 HD2 PHE 122 HD2 PHE 122 -15.460 -10.217 -5.924 961 HE1 PHE 122 HE1 PHE 122 -19.500 -10.080 -3.124 962 HE2 PHE 122 HE2 PHE 122 -17.435 -8.952 -6.674 963 HZ PHE 122 HZ PHE 122 -19.455 -8.881 -5.276 964 H ARG 123 HN ARG 123 -11.771 -10.633 -3.695 965 HA ARG 123 HA ARG 123 -12.473 -8.323 -5.160 966 1HB ARG 123 HB2 ARG 123 -12.128 -7.350 -2.920 967 2HB ARG 123 HB1 ARG 123 -10.476 -7.954 -2.919 968 1HG ARG 123 HG2 ARG 123 -10.663 -5.548 -3.469 969 2HG ARG 123 HG1 ARG 123 -9.889 -6.505 -4.734 970 1HD ARG 123 HD2 ARG 123 -11.435 -4.982 -5.770 971 2HD ARG 123 HD1 ARG 123 -12.040 -6.619 -5.923 972 HE ARG 123 HE ARG 123 -13.034 -4.739 -3.911 973 1HH1 ARG 123 1HH1 ARG 123 -13.797 -7.399 -6.236 974 2HH1 ARG 123 2HH1 ARG 123 -15.424 -7.016 -6.318 975 1HH2 ARG 123 1HH2 ARG 123 -15.424 -4.276 -4.082 976 2HH2 ARG 123 2HH2 ARG 123 -16.352 -5.253 -5.101 977 H THR 124 HN THR 124 -11.343 -8.204 -7.003 978 HA THR 124 HA THR 124 -8.594 -9.209 -7.021 979 HB THR 124 HB THR 124 -10.553 -9.156 -9.381 980 HG1 THR 124 HG1 THR 124 -10.290 -10.809 -7.275 981 1HG2 THR 124 3HG2 THR 124 -8.142 -9.129 -9.939 982 2HG2 THR 124 2HG2 THR 124 -7.928 -10.609 -8.998 983 3HG2 THR 124 1HG2 THR 124 -8.932 -10.623 -10.451 984 H LYS 125 HN LYS 125 -7.327 -7.828 -8.984 985 HA LYS 125 HA LYS 125 -7.476 -5.270 -7.855 986 1HB LYS 125 HB2 LYS 125 -5.533 -4.686 -9.144 987 2HB LYS 125 HB1 LYS 125 -5.369 -6.280 -8.439 988 1HG LYS 125 HG2 LYS 125 -4.436 -6.527 -10.524 989 2HG LYS 125 HG1 LYS 125 -6.060 -7.163 -10.751 990 1HD LYS 125 HD2 LYS 125 -5.464 -5.766 -12.646 991 2HD LYS 125 HD1 LYS 125 -6.727 -4.951 -11.717 992 1HE LYS 125 HE2 LYS 125 -5.038 -3.533 -10.667 993 2HE LYS 125 HE1 LYS 125 -3.773 -4.409 -11.526 994 1HZ LYS 125 HZ3 LYS 125 -4.999 -3.588 -13.615 995 2HZ LYS 125 HZ2 LYS 125 -5.787 -2.509 -12.555 996 3HZ LYS 125 HZ1 LYS 125 -4.133 -2.442 -12.709 997 H ALA 126 HN ALA 126 -8.741 -6.435 -10.860 998 HA ALA 126 HA ALA 126 -9.097 -3.792 -11.937 999 1HB ALA 126 HB1 ALA 126 -10.410 -6.404 -12.684 1000 2HB ALA 126 HB3 ALA 126 -10.489 -4.916 -13.633 1001 3HB ALA 126 HB2 ALA 126 -8.942 -5.743 -13.404 1002 H GLU 127 HN GLU 127 -10.792 -5.939 -9.910 1003 HA GLU 127 HA GLU 127 -13.329 -4.659 -10.061 1004 1HB GLU 127 HB2 GLU 127 -12.295 -6.186 -7.753 1005 2HB GLU 127 HB1 GLU 127 -13.959 -6.011 -8.274 1006 1HG GLU 127 HG2 GLU 127 -13.109 -7.334 -10.371 1007 2HG GLU 127 HG1 GLU 127 -11.769 -7.669 -9.322 1008 H PHE 128 HN PHE 128 -10.428 -4.426 -8.157 1009 HA PHE 128 HA PHE 128 -11.329 -2.843 -6.034 1010 1HB PHE 128 HB2 PHE 128 -9.222 -4.011 -5.902 1011 2HB PHE 128 HB1 PHE 128 -8.617 -3.162 -7.318 1012 HD1 PHE 128 HD1 PHE 128 -7.922 -0.900 -7.186 1013 HD2 PHE 128 HD2 PHE 128 -9.309 -2.957 -3.773 1014 HE1 PHE 128 HE1 PHE 128 -6.942 0.870 -5.753 1015 HE2 PHE 128 HE2 PHE 128 -8.361 -1.209 -2.301 1016 HZ PHE 128 HZ PHE 128 -7.179 0.712 -3.298 1017 H GLU 129 HN GLU 129 -9.653 -1.959 -9.024 1018 HA GLU 129 HA GLU 129 -10.008 0.765 -8.485 1019 1HB GLU 129 HB2 GLU 129 -9.313 1.042 -10.926 1020 2HB GLU 129 HB1 GLU 129 -8.168 0.299 -9.819 1021 1HG GLU 129 HG2 GLU 129 -8.728 -1.876 -10.663 1022 2HG GLU 129 HG1 GLU 129 -9.929 -1.168 -11.741 1023 H ASP 130 HN ASP 130 -12.044 -1.570 -9.883 1024 HA ASP 130 HA ASP 130 -13.884 0.143 -11.224 1025 1HB ASP 130 HB2 ASP 130 -13.932 -2.218 -11.673 1026 2HB ASP 130 HB1 ASP 130 -14.183 -2.577 -9.985 1027 H VAL 131 HN VAL 131 -13.884 -1.358 -8.065 1028 HA VAL 131 HA VAL 131 -16.186 0.075 -7.238 1029 HB VAL 131 HB VAL 131 -15.681 -2.039 -6.092 1030 1HG1 VAL 131 2HG1 VAL 131 -13.287 -1.935 -6.189 1031 2HG1 VAL 131 1HG1 VAL 131 -13.272 -0.691 -4.948 1032 3HG1 VAL 131 3HG1 VAL 131 -13.858 -2.314 -4.558 1033 1HG2 VAL 131 2HG2 VAL 131 -16.987 -0.420 -4.853 1034 2HG2 VAL 131 1HG2 VAL 131 -15.962 -1.366 -3.767 1035 3HG2 VAL 131 3HG2 VAL 131 -15.503 0.284 -4.197 1036 H ILE 132 HN ILE 132 -12.754 0.707 -6.899 1037 HA ILE 132 HA ILE 132 -13.049 2.964 -5.283 1038 HB ILE 132 HB ILE 132 -10.848 1.719 -6.784 1039 1HG1 ILE 132 2HG1 ILE 132 -9.590 2.173 -4.708 1040 2HG1 ILE 132 1HG1 ILE 132 -10.932 3.133 -4.111 1041 1HG2 ILE 132 1HG2 ILE 132 -10.667 3.890 -7.794 1042 2HG2 ILE 132 3HG2 ILE 132 -10.646 4.666 -6.209 1043 3HG2 ILE 132 2HG2 ILE 132 -9.309 3.614 -6.699 1044 1HD1 ILE 132 2HD1 ILE 132 -12.337 1.129 -4.095 1045 2HD1 ILE 132 1HD1 ILE 132 -10.980 0.175 -4.687 1046 3HD1 ILE 132 3HD1 ILE 132 -10.900 0.922 -3.090 1047 H GLU 133 HN GLU 133 -13.079 2.668 -8.837 1048 HA GLU 133 HA GLU 133 -13.163 5.456 -9.202 1049 1HB GLU 133 HB2 GLU 133 -13.884 5.057 -11.493 1050 2HB GLU 133 HB1 GLU 133 -12.577 3.973 -11.062 1051 1HG GLU 133 HG2 GLU 133 -13.988 2.141 -10.906 1052 2HG GLU 133 HG1 GLU 133 -15.431 3.152 -10.950 1053 H HIS 134 HN HIS 134 -15.565 3.083 -8.512 1054 HA HIS 134 HA HIS 134 -17.841 4.718 -9.053 1055 1HB HIS 134 HB2 HIS 134 -17.638 2.133 -8.785 1056 2HB HIS 134 HB1 HIS 134 -17.794 2.458 -7.065 1057 HD1 HIS 134 HD1 HIS 134 -19.826 1.019 -9.250 1058 HD2 HIS 134 HD2 HIS 134 -20.265 4.626 -7.240 1059 HE1 HIS 134 HE1 HIS 134 -22.304 1.498 -9.197 1060 H MET 135 HN MET 135 -15.913 3.973 -6.250 1061 HA MET 135 HA MET 135 -17.329 5.456 -4.295 1062 1HB MET 135 HB2 MET 135 -14.354 4.927 -4.408 1063 2HB MET 135 HB1 MET 135 -15.224 5.495 -3.003 1064 1HG MET 135 HG2 MET 135 -15.587 2.802 -4.312 1065 2HG MET 135 HG1 MET 135 -14.586 3.104 -2.909 1066 1HE MET 135 HE3 MET 135 -18.039 2.128 -4.223 1067 2HE MET 135 HE2 MET 135 -19.166 2.686 -2.995 1068 3HE MET 135 HE1 MET 135 -18.403 3.848 -4.084 1069 H LYS 136 HN LYS 136 -14.594 6.399 -6.374 1070 HA LYS 136 HA LYS 136 -14.541 9.053 -5.326 1071 1HB LYS 136 HB2 LYS 136 -13.006 9.639 -7.172 1072 2HB LYS 136 HB1 LYS 136 -12.497 8.216 -6.274 1073 1HG LYS 136 HG2 LYS 136 -13.272 6.797 -7.951 1074 2HG LYS 136 HG1 LYS 136 -13.983 8.123 -8.871 1075 1HD LYS 136 HD2 LYS 136 -11.847 7.397 -9.830 1076 2HD LYS 136 HD1 LYS 136 -11.765 9.060 -9.248 1077 1HE LYS 136 HE2 LYS 136 -10.596 8.378 -7.300 1078 2HE LYS 136 HE1 LYS 136 -10.825 6.673 -7.673 1079 1HZ LYS 136 HZ2 LYS 136 -9.250 8.615 -9.311 1080 2HZ LYS 136 HZ1 LYS 136 -8.577 7.475 -8.268 1081 3HZ LYS 136 HZ3 LYS 136 -9.419 6.990 -9.646 1082 H THR 137 HN THR 137 -16.440 7.481 -7.659 1083 HA THR 137 HA THR 137 -17.171 9.662 -9.193 1084 HB THR 137 HB THR 137 -17.682 6.909 -8.997 1085 HG1 THR 137 HG1 THR 137 -17.124 8.073 -10.831 1086 1HG2 THR 137 1HG2 THR 137 -20.283 8.445 -9.080 1087 2HG2 THR 137 3HG2 THR 137 -20.079 6.718 -9.489 1088 3HG2 THR 137 2HG2 THR 137 -19.682 7.279 -7.868 1089 H TYR 138 HN TYR 138 -17.982 8.679 -5.932 1090 HA TYR 138 HA TYR 138 -20.045 10.709 -5.738 1091 1HB TYR 138 HB2 TYR 138 -18.824 8.882 -3.654 1092 2HB TYR 138 HB1 TYR 138 -20.160 9.981 -3.365 1093 HD1 TYR 138 HD1 TYR 138 -19.155 6.745 -4.522 1094 HD2 TYR 138 HD2 TYR 138 -22.344 9.526 -4.502 1095 HE1 TYR 138 HE1 TYR 138 -20.704 4.937 -5.076 1096 HE2 TYR 138 HE2 TYR 138 -23.940 7.727 -5.059 1097 HH TYR 138 HH TYR 138 -23.979 5.525 -6.001 1098 H SER 139 HN SER 139 -17.023 9.806 -4.082 1099 HA SER 139 HA SER 139 -15.457 10.897 -2.923 1100 1HB SER 139 HB2 SER 139 -14.383 12.777 -4.108 1101 2HB SER 139 HB1 SER 139 -14.618 11.352 -5.107 1102 HG SER 139 HG SER 139 -16.768 12.811 -5.395 1103 H GLY 140 HN GLY 140 -18.238 11.618 -2.091 1104 1HA GLY 140 HA1 GLY 140 -18.128 14.338 -1.433 1105 2HA GLY 140 HA2 GLY 140 -17.897 13.188 -0.094 No H/Q in entry = 1105 Start of MODEL 3 1 H1 ALA 1 HT2 ALA 1 31.266 8.291 -1.063 2 H2 ALA 1 HT1 ALA 1 32.689 8.800 -1.839 3 H3 ALA 1 HT3 ALA 1 31.171 9.228 -2.467 4 HA ALA 1 HA ALA 1 30.691 6.971 -2.950 5 1HB ALA 1 HB1 ALA 1 32.323 6.610 -4.735 6 2HB ALA 1 HB2 ALA 1 33.402 7.796 -4.004 7 3HB ALA 1 HB3 ALA 1 31.850 8.306 -4.663 8 H GLU 2 HN GLU 2 31.093 4.832 -2.638 9 HA GLU 2 HA GLU 2 33.518 4.025 -1.296 10 1HB GLU 2 HB2 GLU 2 30.706 3.489 -0.310 11 2HB GLU 2 HB1 GLU 2 32.094 2.535 0.208 12 1HG GLU 2 HG2 GLU 2 33.115 4.402 1.231 13 2HG GLU 2 HG1 GLU 2 31.996 5.520 0.469 14 H VAL 3 HN VAL 3 34.385 2.583 -2.455 15 HA VAL 3 HA VAL 3 32.779 0.917 -4.259 16 HB VAL 3 HB VAL 3 34.845 0.721 -5.594 17 1HG1 VAL 3 1HG1 VAL 3 34.045 3.582 -5.062 18 2HG1 VAL 3 3HG1 VAL 3 34.911 3.009 -6.489 19 3HG1 VAL 3 2HG1 VAL 3 33.260 2.470 -6.184 20 1HG2 VAL 3 3HG2 VAL 3 36.007 2.727 -3.650 21 2HG2 VAL 3 2HG2 VAL 3 36.497 1.041 -3.813 22 3HG2 VAL 3 1HG2 VAL 3 36.777 2.173 -5.137 23 H GLU 4 HN GLU 4 34.346 -0.971 -4.827 24 HA GLU 4 HA GLU 4 34.176 -2.720 -2.679 25 1HB GLU 4 HB2 GLU 4 35.677 -2.832 -5.249 26 2HB GLU 4 HB1 GLU 4 35.436 -4.245 -4.200 27 1HG GLU 4 HG2 GLU 4 33.115 -4.221 -4.602 28 2HG GLU 4 HG1 GLU 4 33.172 -2.600 -5.284 29 H HIS 5 HN HIS 5 35.252 -2.175 -0.924 30 HA HIS 5 HA HIS 5 38.185 -1.850 -0.970 31 1HB HIS 5 HB2 HIS 5 36.241 -1.376 1.320 32 2HB HIS 5 HB1 HIS 5 37.950 -0.985 1.300 33 HD1 HIS 5 HD1 HIS 5 34.947 0.725 1.330 34 HD2 HIS 5 HD2 HIS 5 38.261 0.963 -1.165 35 HE1 HIS 5 HE1 HIS 5 34.887 3.017 0.314 36 H TYR 6 HN TYR 6 38.708 -2.671 1.579 37 HA TYR 6 HA TYR 6 38.844 -5.467 1.498 38 1HB TYR 6 HB2 TYR 6 39.043 -3.560 3.839 39 2HB TYR 6 HB1 TYR 6 39.467 -5.256 3.904 40 HD1 TYR 6 HD1 TYR 6 41.543 -6.039 2.990 41 HD2 TYR 6 HD2 TYR 6 40.435 -1.957 2.605 42 HE1 TYR 6 HE1 TYR 6 43.845 -5.482 2.350 43 HE2 TYR 6 HE2 TYR 6 42.734 -1.389 1.954 44 HH TYR 6 HH TYR 6 44.991 -2.346 2.321 45 H GLU 7 HN GLU 7 36.750 -3.232 3.233 46 HA GLU 7 HA GLU 7 35.052 -5.452 4.037 47 1HB GLU 7 HB2 GLU 7 35.318 -2.681 5.180 48 2HB GLU 7 HB1 GLU 7 34.178 -3.889 5.750 49 1HG GLU 7 HG2 GLU 7 36.086 -5.371 6.257 50 2HG GLU 7 HG1 GLU 7 37.172 -4.059 5.807 51 HA PRO 8 HA PRO 8 31.923 -3.546 1.493 52 1HB PRO 8 HB2 PRO 8 29.794 -5.018 2.470 53 2HB PRO 8 HB1 PRO 8 30.890 -5.541 1.197 54 1HG PRO 8 HG2 PRO 8 30.632 -6.649 3.820 55 2HG PRO 8 HG1 PRO 8 31.782 -7.112 2.560 56 1HD PRO 8 HD2 PRO 8 32.166 -5.389 4.922 57 2HD PRO 8 HD1 PRO 8 33.351 -6.317 3.979 58 H LEU 9 HN LEU 9 29.400 -3.057 1.965 59 HA LEU 9 HA LEU 9 29.467 -1.122 4.187 60 1HB LEU 9 HB2 LEU 9 29.207 -0.552 1.522 61 2HB LEU 9 HB1 LEU 9 27.562 -0.875 1.934 62 HG LEU 9 HG LEU 9 28.039 1.527 1.969 63 1HD1 LEU 9 2HD1 LEU 9 27.344 0.423 4.682 64 2HD1 LEU 9 1HD1 LEU 9 27.048 2.073 4.131 65 3HD1 LEU 9 3HD1 LEU 9 26.229 0.724 3.349 66 1HD2 LEU 9 1HD2 LEU 9 30.359 1.423 2.686 67 2HD2 LEU 9 3HD2 LEU 9 29.414 2.502 3.704 68 3HD2 LEU 9 2HD2 LEU 9 29.851 0.900 4.294 69 H GLN 10 HN GLN 10 28.189 -1.816 5.797 70 HA GLN 10 HA GLN 10 26.056 -3.679 5.373 71 1HB GLN 10 HB2 GLN 10 27.082 -2.216 7.767 72 2HB GLN 10 HB1 GLN 10 25.625 -3.200 7.845 73 1HG GLN 10 HG2 GLN 10 26.938 -5.095 7.170 74 2HG GLN 10 HG1 GLN 10 28.409 -4.115 7.162 75 1HE2 GLN 10 1HE2 GLN 10 26.037 -5.659 9.037 76 2HE2 GLN 10 2HE2 GLN 10 26.834 -5.507 10.565 77 H VAL 11 HN VAL 11 24.356 -2.938 4.410 78 HA VAL 11 HA VAL 11 23.302 -0.262 5.065 79 HB VAL 11 HB VAL 11 22.300 -1.987 2.853 80 1HG1 VAL 11 1HG1 VAL 11 20.960 -0.127 3.365 81 2HG1 VAL 11 3HG1 VAL 11 22.329 0.976 3.197 82 3HG1 VAL 11 2HG1 VAL 11 21.711 0.106 1.788 83 1HG2 VAL 11 2HG2 VAL 11 24.665 -1.916 2.446 84 2HG2 VAL 11 1HG2 VAL 11 23.818 -0.940 1.261 85 3HG2 VAL 11 3HG2 VAL 11 24.668 -0.147 2.591 86 H HIS 12 HN HIS 12 21.335 -0.133 5.924 87 HA HIS 12 HA HIS 12 19.706 -2.566 6.012 88 1HB HIS 12 HB2 HIS 12 20.338 -1.643 8.285 89 2HB HIS 12 HB1 HIS 12 19.463 -0.171 7.867 90 HD1 HIS 12 HD1 HIS 12 16.897 -0.221 8.177 91 HD2 HIS 12 HD2 HIS 12 18.687 -3.948 8.535 92 HE1 HIS 12 HE1 HIS 12 15.113 -1.769 8.991 93 H VAL 13 HN VAL 13 18.514 -2.417 4.308 94 HA VAL 13 HA VAL 13 17.352 0.161 3.529 95 HB VAL 13 HB VAL 13 18.749 -0.754 1.795 96 1HG1 VAL 13 1HG1 VAL 13 18.621 -3.160 2.498 97 2HG1 VAL 13 3HG1 VAL 13 17.048 -3.198 1.660 98 3HG1 VAL 13 2HG1 VAL 13 18.528 -2.848 0.770 99 1HG2 VAL 13 3HG2 VAL 13 16.728 0.353 1.040 100 2HG2 VAL 13 2HG2 VAL 13 17.175 -0.983 -0.045 101 3HG2 VAL 13 1HG2 VAL 13 15.882 -1.202 1.130 102 H GLN 14 HN GLN 14 15.472 0.572 3.806 103 HA GLN 14 HA GLN 14 13.610 -1.508 4.654 104 1HB GLN 14 HB2 GLN 14 14.220 0.485 6.134 105 2HB GLN 14 HB1 GLN 14 13.448 1.504 4.939 106 1HG GLN 14 HG2 GLN 14 11.985 -0.683 6.391 107 2HG GLN 14 HG1 GLN 14 12.141 0.944 7.037 108 1HE2 GLN 14 1HE2 GLN 14 11.013 2.619 6.045 109 2HE2 GLN 14 2HE2 GLN 14 9.736 2.280 4.930 110 H LEU 15 HN LEU 15 12.131 -2.067 3.244 111 HA LEU 15 HA LEU 15 11.793 -0.445 0.839 112 1HB LEU 15 HB2 LEU 15 11.403 -3.348 1.374 113 2HB LEU 15 HB1 LEU 15 10.873 -2.579 -0.101 114 HG LEU 15 HG LEU 15 12.747 -3.472 -0.767 115 1HD1 LEU 15 3HD1 LEU 15 13.049 -1.176 -1.260 116 2HD1 LEU 15 2HD1 LEU 15 13.824 -0.890 0.302 117 3HD1 LEU 15 1HD1 LEU 15 14.625 -1.884 -0.909 118 1HD2 LEU 15 1HD2 LEU 15 14.019 -3.091 1.915 119 2HD2 LEU 15 3HD2 LEU 15 13.437 -4.580 1.137 120 3HD2 LEU 15 2HD2 LEU 15 14.812 -3.736 0.461 121 H GLU 16 HN GLU 16 9.994 0.567 0.609 122 HA GLU 16 HA GLU 16 7.592 -0.263 2.091 123 1HB GLU 16 HB2 GLU 16 8.105 2.202 0.424 124 2HB GLU 16 HB1 GLU 16 6.645 1.872 1.331 125 1HG GLU 16 HG2 GLU 16 7.808 2.084 3.395 126 2HG GLU 16 HG1 GLU 16 9.360 2.244 2.576 127 H LYS 17 HN LYS 17 5.848 -0.997 0.977 128 HA LYS 17 HA LYS 17 6.057 -1.010 -1.957 129 1HB LYS 17 HB2 LYS 17 5.130 -3.309 -0.213 130 2HB LYS 17 HB1 LYS 17 5.058 -3.292 -1.969 131 1HG LYS 17 HG2 LYS 17 7.460 -3.199 -2.121 132 2HG LYS 17 HG1 LYS 17 7.597 -3.050 -0.374 133 1HD LYS 17 HD2 LYS 17 6.635 -5.305 -0.124 134 2HD LYS 17 HD1 LYS 17 6.546 -5.445 -1.887 135 1HE LYS 17 HE2 LYS 17 8.926 -5.238 -2.072 136 2HE LYS 17 HE1 LYS 17 9.085 -4.911 -0.357 137 1HZ LYS 17 HZ1 LYS 17 8.141 -7.242 -0.035 138 2HZ LYS 17 HZ3 LYS 17 8.433 -7.474 -1.699 139 3HZ LYS 17 HZ2 LYS 17 9.689 -7.096 -0.608 140 H VAL 18 HN VAL 18 4.545 0.437 -2.497 141 HA VAL 18 HA VAL 18 2.184 0.642 -0.815 142 HB VAL 18 HB VAL 18 2.708 2.370 -3.250 143 1HG1 VAL 18 3HG1 VAL 18 1.149 2.895 -0.763 144 2HG1 VAL 18 2HG1 VAL 18 1.419 4.027 -2.092 145 3HG1 VAL 18 1HG1 VAL 18 0.523 2.537 -2.377 146 1HG2 VAL 18 3HG2 VAL 18 3.860 2.824 -0.482 147 2HG2 VAL 18 2HG2 VAL 18 4.741 2.563 -1.999 148 3HG2 VAL 18 1HG2 VAL 18 3.811 4.026 -1.783 149 H TYR 19 HN TYR 19 0.885 -1.010 -1.295 150 HA TYR 19 HA TYR 19 0.412 -1.860 -4.002 151 1HB TYR 19 HB2 TYR 19 -0.844 -2.610 -1.370 152 2HB TYR 19 HB1 TYR 19 -1.331 -3.301 -2.908 153 HD1 TYR 19 HD1 TYR 19 -0.113 -5.015 -3.901 154 HD2 TYR 19 HD2 TYR 19 1.500 -3.022 -0.523 155 HE1 TYR 19 HE1 TYR 19 1.548 -6.762 -3.696 156 HE2 TYR 19 HE2 TYR 19 3.203 -4.779 -0.303 157 HH TYR 19 HH TYR 19 3.741 -7.110 -2.740 158 H LEU 20 HN LEU 20 -1.923 -2.087 -4.739 159 HA LEU 20 HA LEU 20 -3.165 0.477 -4.888 160 1HB LEU 20 HB2 LEU 20 -4.374 -2.232 -5.442 161 2HB LEU 20 HB1 LEU 20 -5.011 -0.695 -5.973 162 HG LEU 20 HG LEU 20 -2.413 -1.897 -6.911 163 1HD1 LEU 20 2HD1 LEU 20 -4.360 -3.206 -7.538 164 2HD1 LEU 20 1HD1 LEU 20 -5.118 -1.777 -8.235 165 3HD1 LEU 20 3HD1 LEU 20 -3.633 -2.427 -8.948 166 1HD2 LEU 20 1HD2 LEU 20 -2.483 0.556 -7.049 167 2HD2 LEU 20 3HD2 LEU 20 -2.543 -0.178 -8.651 168 3HD2 LEU 20 2HD2 LEU 20 -4.014 0.460 -7.919 169 H ASP 21 HN ASP 21 -3.591 -2.413 -3.133 170 HA ASP 21 HA ASP 21 -6.030 -2.257 -1.886 171 1HB ASP 21 HB2 ASP 21 -4.788 -4.237 -1.779 172 2HB ASP 21 HB1 ASP 21 -3.409 -3.432 -1.045 173 H GLY 22 HN GLY 22 -2.986 -0.831 -0.816 174 1HA GLY 22 HA1 GLY 22 -4.496 0.409 1.367 175 2HA GLY 22 HA2 GLY 22 -3.300 1.303 0.445 176 H ASP 23 HN ASP 23 -3.035 -2.060 1.419 177 HA ASP 23 HA ASP 23 -1.401 -1.707 3.673 178 1HB ASP 23 HB2 ASP 23 -2.422 -3.877 3.111 179 2HB ASP 23 HB1 ASP 23 -1.429 -3.973 1.665 180 H VAL 24 HN VAL 24 0.495 -0.746 3.740 181 HA VAL 24 HA VAL 24 2.222 -1.042 1.395 182 HB VAL 24 HB VAL 24 2.741 0.753 3.783 183 1HG1 VAL 24 2HG1 VAL 24 4.701 0.163 2.545 184 2HG1 VAL 24 1HG1 VAL 24 3.952 0.704 1.049 185 3HG1 VAL 24 3HG1 VAL 24 4.323 1.877 2.318 186 1HG2 VAL 24 1HG2 VAL 24 1.488 1.507 1.143 187 2HG2 VAL 24 3HG2 VAL 24 0.674 1.510 2.704 188 3HG2 VAL 24 2HG2 VAL 24 1.986 2.651 2.389 189 H SER 25 HN SER 25 3.461 -2.675 1.544 190 HA SER 25 HA SER 25 3.977 -3.917 4.070 191 1HB SER 25 HB2 SER 25 5.044 -4.551 1.341 192 2HB SER 25 HB1 SER 25 5.114 -5.601 2.759 193 HG SER 25 HG SER 25 2.554 -4.835 2.352 194 H ILE 26 HN ILE 26 5.632 -3.551 5.317 195 HA ILE 26 HA ILE 26 7.836 -1.915 4.318 196 HB ILE 26 HB ILE 26 6.859 -2.452 7.143 197 1HG1 ILE 26 2HG1 ILE 26 5.327 -1.029 5.956 198 2HG1 ILE 26 1HG1 ILE 26 6.212 -0.054 7.137 199 1HG2 ILE 26 2HG2 ILE 26 9.048 -0.618 6.219 200 2HG2 ILE 26 1HG2 ILE 26 8.423 -0.716 7.863 201 3HG2 ILE 26 3HG2 ILE 26 9.259 -2.102 7.153 202 1HD1 ILE 26 3HD1 ILE 26 7.649 0.743 5.289 203 2HD1 ILE 26 2HD1 ILE 26 6.633 -0.182 4.171 204 3HD1 ILE 26 1HD1 ILE 26 5.941 1.158 5.080 205 H GLU 27 HN GLU 27 9.514 -3.066 3.770 206 HA GLU 27 HA GLU 27 9.999 -5.586 5.164 207 1HB GLU 27 HB2 GLU 27 9.473 -6.217 3.006 208 2HB GLU 27 HB1 GLU 27 10.196 -4.791 2.291 209 1HG GLU 27 HG2 GLU 27 12.319 -5.663 2.415 210 2HG GLU 27 HG1 GLU 27 11.887 -6.861 3.612 211 H HIS 28 HN HIS 28 11.956 -5.987 5.981 212 HA HIS 28 HA HIS 28 13.882 -3.764 5.880 213 1HB HIS 28 HB2 HIS 28 13.413 -5.824 8.046 214 2HB HIS 28 HB1 HIS 28 14.736 -4.678 8.058 215 HD1 HIS 28 HD1 HIS 28 13.935 -3.467 10.247 216 HD2 HIS 28 HD2 HIS 28 11.090 -3.506 7.208 217 HE1 HIS 28 HE1 HIS 28 12.128 -1.896 10.964 218 H LYS 29 HN LYS 29 15.646 -4.180 4.781 219 HA LYS 29 HA LYS 29 16.597 -6.961 4.610 220 1HB LYS 29 HB2 LYS 29 16.843 -4.735 2.623 221 2HB LYS 29 HB1 LYS 29 17.575 -6.278 2.359 222 1HG LYS 29 HG2 LYS 29 14.686 -5.605 2.441 223 2HG LYS 29 HG1 LYS 29 15.664 -5.984 1.029 224 1HD LYS 29 HD2 LYS 29 16.006 -8.202 2.568 225 2HD LYS 29 HD1 LYS 29 14.342 -7.696 2.955 226 1HE LYS 29 HE2 LYS 29 14.000 -7.398 0.503 227 2HE LYS 29 HE1 LYS 29 15.546 -8.230 0.303 228 1HZ LYS 29 HZ1 LYS 29 14.521 -10.164 1.483 229 2HZ LYS 29 HZ3 LYS 29 13.055 -9.307 1.500 230 3HZ LYS 29 HZ2 LYS 29 13.741 -9.777 0.038 231 H HIS 30 HN HIS 30 18.710 -7.188 5.145 232 HA HIS 30 HA HIS 30 20.313 -4.748 5.455 233 1HB HIS 30 HB2 HIS 30 19.768 -5.950 7.636 234 2HB HIS 30 HB1 HIS 30 20.691 -7.304 6.933 235 HD1 HIS 30 HD1 HIS 30 21.154 -4.242 8.912 236 HD2 HIS 30 HD2 HIS 30 23.484 -6.750 6.563 237 HE1 HIS 30 HE1 HIS 30 23.551 -3.648 9.411 238 H GLU 31 HN GLU 31 21.982 -4.772 4.207 239 HA GLU 31 HA GLU 31 23.086 -7.302 3.375 240 1HB GLU 31 HB2 GLU 31 23.071 -6.718 0.999 241 2HB GLU 31 HB1 GLU 31 21.453 -6.916 1.677 242 1HG GLU 31 HG2 GLU 31 21.299 -4.430 1.760 243 2HG GLU 31 HG1 GLU 31 22.835 -4.383 0.891 244 H LYS 32 HN LYS 32 25.151 -7.298 2.960 245 HA LYS 32 HA LYS 32 26.553 -4.796 3.284 246 1HB LYS 32 HB2 LYS 32 27.454 -7.645 3.353 247 2HB LYS 32 HB1 LYS 32 28.574 -6.302 3.311 248 1HG LYS 32 HG2 LYS 32 27.555 -5.464 5.358 249 2HG LYS 32 HG1 LYS 32 26.585 -6.915 5.519 250 1HD LYS 32 HD2 LYS 32 29.572 -6.549 5.696 251 2HD LYS 32 HD1 LYS 32 28.486 -7.317 6.849 252 1HE LYS 32 HE2 LYS 32 28.111 -9.130 5.154 253 2HE LYS 32 HE1 LYS 32 29.339 -8.319 4.176 254 1HZ LYS 32 HZ3 LYS 32 29.826 -9.368 6.903 255 2HZ LYS 32 HZ2 LYS 32 30.221 -10.209 5.505 256 3HZ LYS 32 HZ1 LYS 32 30.996 -8.751 5.868 257 H VAL 33 HN VAL 33 27.062 -3.815 1.611 258 HA VAL 33 HA VAL 33 27.526 -5.358 -0.793 259 HB VAL 33 HB VAL 33 25.524 -4.332 -1.261 260 1HG1 VAL 33 1HG1 VAL 33 26.490 -1.828 0.059 261 2HG1 VAL 33 3HG1 VAL 33 24.938 -2.031 -0.771 262 3HG1 VAL 33 2HG1 VAL 33 25.291 -2.999 0.652 263 1HG2 VAL 33 2HG2 VAL 33 27.164 -3.877 -2.988 264 2HG2 VAL 33 1HG2 VAL 33 25.928 -2.615 -2.906 265 3HG2 VAL 33 3HG2 VAL 33 27.512 -2.342 -2.187 266 H PHE 34 HN PHE 34 29.399 -5.028 -1.845 267 HA PHE 34 HA PHE 34 31.379 -3.463 -0.568 268 1HB PHE 34 HB2 PHE 34 31.380 -4.990 -3.158 269 2HB PHE 34 HB1 PHE 34 32.762 -4.079 -2.582 270 HD1 PHE 34 HD1 PHE 34 33.431 -4.644 -0.093 271 HD2 PHE 34 HD2 PHE 34 31.317 -7.222 -2.715 272 HE1 PHE 34 HE1 PHE 34 34.254 -6.593 1.176 273 HE2 PHE 34 HE2 PHE 34 32.109 -9.180 -1.447 274 HZ PHE 34 HZ PHE 34 33.584 -8.863 0.500 275 H SER 35 HN SER 35 29.360 -2.968 -3.391 276 HA SER 35 HA SER 35 30.673 -0.363 -3.717 277 1HB SER 35 HB2 SER 35 31.209 -1.783 -5.618 278 2HB SER 35 HB1 SER 35 29.503 -2.175 -5.837 279 HG SER 35 HG SER 35 29.834 -0.607 -7.259 280 H MET 36 HN MET 36 29.334 1.159 -3.037 281 HA MET 36 HA MET 36 26.598 0.840 -2.555 282 1HB MET 36 HB2 MET 36 28.275 3.286 -2.992 283 2HB MET 36 HB1 MET 36 26.540 3.422 -2.752 284 1HG MET 36 HG2 MET 36 27.741 1.700 -0.809 285 2HG MET 36 HG1 MET 36 28.495 3.308 -0.795 286 1HE MET 36 HE2 MET 36 24.872 2.406 -1.813 287 2HE MET 36 HE1 MET 36 24.989 1.321 -0.434 288 3HE MET 36 HE3 MET 36 23.910 2.745 -0.386 289 H ASP 37 HN ASP 37 28.233 1.546 -5.395 290 HA ASP 37 HA ASP 37 26.078 2.613 -6.945 291 1HB ASP 37 HB2 ASP 37 28.320 3.020 -7.691 292 2HB ASP 37 HB1 ASP 37 28.655 1.298 -7.795 293 H ASP 38 HN ASP 38 27.261 -0.624 -6.315 294 HA ASP 38 HA ASP 38 25.692 -2.007 -8.253 295 1HB ASP 38 HB2 ASP 38 27.629 -3.058 -7.079 296 2HB ASP 38 HB1 ASP 38 26.700 -2.928 -5.581 297 H PHE 39 HN PHE 39 25.301 -1.067 -4.923 298 HA PHE 39 HA PHE 39 22.849 -2.284 -4.406 299 1HB PHE 39 HB2 PHE 39 24.340 -1.511 -2.677 300 2HB PHE 39 HB1 PHE 39 24.186 0.154 -3.219 301 HD1 PHE 39 HD1 PHE 39 22.731 -2.566 -1.304 302 HD2 PHE 39 HD2 PHE 39 22.094 1.320 -2.845 303 HE1 PHE 39 HE1 PHE 39 20.848 -2.275 0.256 304 HE2 PHE 39 HE2 PHE 39 20.212 1.635 -1.314 305 HZ PHE 39 HZ PHE 39 19.574 -0.141 0.230 306 H TRP 40 HN TRP 40 23.699 1.015 -5.526 307 HA TRP 40 HA TRP 40 21.044 1.950 -5.645 308 1HB TRP 40 HB2 TRP 40 23.395 2.916 -7.283 309 2HB TRP 40 HB1 TRP 40 21.877 3.775 -7.068 310 HD1 TRP 40 HD1 TRP 40 25.157 4.238 -6.009 311 HE1 TRP 40 HE1 TRP 40 25.400 5.162 -3.632 312 HE3 TRP 40 HE3 TRP 40 20.445 3.301 -4.273 313 HZ2 TRP 40 HZ2 TRP 40 23.814 5.450 -1.333 314 HZ3 TRP 40 HZ3 TRP 40 19.903 3.927 -1.985 315 HH2 TRP 40 HH2 TRP 40 21.529 4.986 -0.550 316 H ALA 41 HN ALA 41 23.063 0.370 -7.970 317 HA ALA 41 HA ALA 41 21.197 0.564 -10.114 318 1HB ALA 41 HB2 ALA 41 22.595 -1.100 -11.244 319 2HB ALA 41 HB1 ALA 41 23.587 0.166 -10.513 320 3HB ALA 41 HB3 ALA 41 23.450 -1.406 -9.729 321 H ALA 42 HN ALA 42 21.636 -1.681 -7.499 322 HA ALA 42 HA ALA 42 19.908 -3.690 -8.507 323 1HB ALA 42 HB2 ALA 42 20.672 -3.090 -5.649 324 2HB ALA 42 HB1 ALA 42 19.947 -4.591 -6.228 325 3HB ALA 42 HB3 ALA 42 21.572 -4.128 -6.746 326 H TYR 43 HN TYR 43 19.369 -0.838 -6.438 327 HA TYR 43 HA TYR 43 16.503 -1.496 -6.413 328 1HB TYR 43 HB2 TYR 43 18.169 0.254 -4.607 329 2HB TYR 43 HB1 TYR 43 16.419 0.144 -4.532 330 HD1 TYR 43 HD1 TYR 43 15.333 -1.716 -3.581 331 HD2 TYR 43 HD2 TYR 43 19.550 -1.737 -3.989 332 HE1 TYR 43 HE1 TYR 43 15.451 -3.712 -2.141 333 HE2 TYR 43 HE2 TYR 43 19.693 -3.728 -2.553 334 HH TYR 43 HH TYR 43 18.457 -4.888 -0.936 335 H ALA 44 HN ALA 44 18.306 0.002 -8.463 336 HA ALA 44 HA ALA 44 17.572 2.590 -8.660 337 1HB ALA 44 HB3 ALA 44 19.209 1.512 -10.101 338 2HB ALA 44 HB2 ALA 44 17.913 0.693 -10.974 339 3HB ALA 44 HB1 ALA 44 18.050 2.451 -11.044 340 H GLY 45 HN GLY 45 15.500 -0.120 -9.162 341 1HA GLY 45 HA1 GLY 45 13.410 -0.301 -10.198 342 2HA GLY 45 HA2 GLY 45 13.561 1.369 -10.730 343 H TRP 46 HN TRP 46 14.218 0.859 -7.402 344 HA TRP 46 HA TRP 46 11.545 1.422 -6.504 345 1HB TRP 46 HB2 TRP 46 14.197 1.357 -5.051 346 2HB TRP 46 HB1 TRP 46 12.603 1.428 -4.312 347 HD1 TRP 46 HD1 TRP 46 14.619 -1.015 -6.549 348 HE1 TRP 46 HE1 TRP 46 14.067 -3.416 -5.762 349 HE3 TRP 46 HE3 TRP 46 11.217 0.098 -2.968 350 HZ2 TRP 46 HZ2 TRP 46 12.405 -4.651 -3.818 351 HZ3 TRP 46 HZ3 TRP 46 10.170 -1.718 -1.729 352 HH2 TRP 46 HH2 TRP 46 10.753 -4.047 -2.172 353 H THR 47 HN THR 47 11.150 3.431 -5.243 354 HA THR 47 HA THR 47 12.592 5.695 -6.253 355 HB THR 47 HB THR 47 10.129 5.373 -4.532 356 HG1 THR 47 HG1 THR 47 10.568 5.757 -7.285 357 1HG2 THR 47 2HG2 THR 47 11.272 7.840 -5.852 358 2HG2 THR 47 1HG2 THR 47 9.694 7.736 -5.047 359 3HG2 THR 47 3HG2 THR 47 11.173 7.505 -4.116 360 H LEU 48 HN LEU 48 14.224 6.529 -5.078 361 HA LEU 48 HA LEU 48 14.823 5.587 -2.436 362 1HB LEU 48 HB2 LEU 48 16.534 6.146 -4.216 363 2HB LEU 48 HB1 LEU 48 16.094 7.823 -4.061 364 HG LEU 48 HG LEU 48 18.285 7.079 -2.991 365 1HD1 LEU 48 1HD1 LEU 48 17.287 9.220 -2.384 366 2HD1 LEU 48 3HD1 LEU 48 16.379 8.412 -1.084 367 3HD1 LEU 48 2HD1 LEU 48 18.154 8.425 -1.075 368 1HD2 LEU 48 3HD2 LEU 48 16.431 5.879 -0.967 369 2HD2 LEU 48 2HD2 LEU 48 17.571 5.014 -2.009 370 3HD2 LEU 48 1HD2 LEU 48 18.163 6.122 -0.770 371 H VAL 49 HN VAL 49 13.656 6.314 -0.782 372 HA VAL 49 HA VAL 49 12.372 8.892 -1.039 373 HB VAL 49 HB VAL 49 12.069 6.854 1.243 374 1HG1 VAL 49 2HG1 VAL 49 10.481 9.325 0.616 375 2HG1 VAL 49 1HG1 VAL 49 10.131 8.135 1.873 376 3HG1 VAL 49 3HG1 VAL 49 11.599 9.109 1.965 377 1HG2 VAL 49 2HG2 VAL 49 11.295 6.029 -0.907 378 2HG2 VAL 49 1HG2 VAL 49 9.957 6.348 0.198 379 3HG2 VAL 49 3HG2 VAL 49 10.309 7.477 -1.109 380 H GLU 50 HN GLU 50 14.671 7.259 1.098 381 HA GLU 50 HA GLU 50 16.091 9.713 1.407 382 1HB GLU 50 HB2 GLU 50 15.976 9.839 3.856 383 2HB GLU 50 HB1 GLU 50 14.372 10.060 3.166 384 1HG GLU 50 HG2 GLU 50 13.819 7.804 3.743 385 2HG GLU 50 HG1 GLU 50 15.452 7.513 4.329 386 H GLN 51 HN GLN 51 18.097 9.345 2.346 387 HA GLN 51 HA GLN 51 18.604 6.699 3.328 388 1HB GLN 51 HB2 GLN 51 20.738 6.576 2.112 389 2HB GLN 51 HB1 GLN 51 19.325 6.602 1.064 390 1HG GLN 51 HG2 GLN 51 19.736 8.879 0.471 391 2HG GLN 51 HG1 GLN 51 21.077 8.978 1.614 392 1HE2 GLN 51 1HE2 GLN 51 19.963 7.624 -1.359 393 2HE2 GLN 51 2HE2 GLN 51 21.516 7.051 -1.892 394 H LYS 52 HN LYS 52 19.987 6.620 4.915 395 HA LYS 52 HA LYS 52 21.341 9.034 5.718 396 1HB LYS 52 HB2 LYS 52 20.612 8.377 8.097 397 2HB LYS 52 HB1 LYS 52 19.415 9.184 7.069 398 1HG LYS 52 HG2 LYS 52 18.717 6.803 6.462 399 2HG LYS 52 HG1 LYS 52 19.609 6.310 7.901 400 1HD LYS 52 HD2 LYS 52 17.275 8.236 7.807 401 2HD LYS 52 HD1 LYS 52 17.218 6.551 8.316 402 1HE LYS 52 HE2 LYS 52 18.678 7.046 10.196 403 2HE LYS 52 HE1 LYS 52 18.796 8.717 9.620 404 1HZ LYS 52 HZ1 LYS 52 16.277 7.414 10.504 405 2HZ LYS 52 HZ3 LYS 52 17.194 8.471 11.432 406 3HZ LYS 52 HZ2 LYS 52 16.446 9.013 10.028 407 H LYS 53 HN LYS 53 23.157 8.286 5.152 408 HA LYS 53 HA LYS 53 24.735 6.946 4.562 409 1HB LYS 53 HB2 LYS 53 25.328 8.197 6.655 410 2HB LYS 53 HB1 LYS 53 25.202 6.643 7.477 411 1HG LYS 53 HG2 LYS 53 27.425 7.077 6.900 412 2HG LYS 53 HG1 LYS 53 26.850 5.710 5.913 413 1HD LYS 53 HD2 LYS 53 26.386 7.577 4.104 414 2HD LYS 53 HD1 LYS 53 27.436 8.559 5.112 415 1HE LYS 53 HE2 LYS 53 28.681 7.573 3.318 416 2HE LYS 53 HE1 LYS 53 29.190 6.884 4.861 417 1HZ LYS 53 HZ1 LYS 53 27.281 5.572 2.988 418 2HZ LYS 53 HZ3 LYS 53 28.924 5.236 3.085 419 3HZ LYS 53 HZ2 LYS 53 27.926 4.899 4.398 420 H GLY 54 HN GLY 54 23.769 5.110 7.239 421 1HA GLY 54 HA1 GLY 54 24.308 2.763 7.485 422 2HA GLY 54 HA2 GLY 54 24.531 2.690 5.744 423 H TYR 55 HN TYR 55 21.617 4.326 6.822 424 HA TYR 55 HA TYR 55 20.173 1.889 6.227 425 1HB TYR 55 HB2 TYR 55 19.663 2.548 8.439 426 2HB TYR 55 HB1 TYR 55 19.675 4.251 8.035 427 HD1 TYR 55 HD1 TYR 55 17.680 1.265 8.304 428 HD2 TYR 55 HD2 TYR 55 17.847 5.164 6.839 429 HE1 TYR 55 HE1 TYR 55 15.200 1.272 8.149 430 HE2 TYR 55 HE2 TYR 55 15.399 5.288 6.656 431 HH TYR 55 HH TYR 55 13.398 2.929 8.116 432 H VAL 56 HN VAL 56 18.794 1.976 4.555 433 HA VAL 56 HA VAL 56 18.500 4.540 3.183 434 HB VAL 56 HB VAL 56 19.149 1.864 1.882 435 1HG1 VAL 56 2HG1 VAL 56 17.513 3.099 0.571 436 2HG1 VAL 56 1HG1 VAL 56 18.545 4.523 0.609 437 3HG1 VAL 56 3HG1 VAL 56 19.084 3.073 -0.237 438 1HG2 VAL 56 1HG2 VAL 56 21.106 3.036 2.816 439 2HG2 VAL 56 3HG2 VAL 56 21.148 2.966 1.053 440 3HG2 VAL 56 2HG2 VAL 56 20.687 4.461 1.850 441 H LEU 57 HN LEU 57 16.462 4.927 2.391 442 HA LEU 57 HA LEU 57 14.518 2.807 2.805 443 1HB LEU 57 HB2 LEU 57 13.983 4.423 4.386 444 2HB LEU 57 HB1 LEU 57 14.441 5.743 3.333 445 HG LEU 57 HG LEU 57 12.448 5.351 1.989 446 1HD1 LEU 57 2HD1 LEU 57 12.162 3.077 2.305 447 2HD1 LEU 57 1HD1 LEU 57 11.562 3.335 3.965 448 3HD1 LEU 57 3HD1 LEU 57 10.729 4.086 2.572 449 1HD2 LEU 57 3HD2 LEU 57 11.999 5.864 4.908 450 2HD2 LEU 57 2HD2 LEU 57 12.172 7.037 3.593 451 3HD2 LEU 57 1HD2 LEU 57 10.741 6.046 3.682 452 H PHE 58 HN PHE 58 13.806 2.021 1.046 453 HA PHE 58 HA PHE 58 13.374 3.703 -1.359 454 1HB PHE 58 HB2 PHE 58 14.428 0.927 -1.074 455 2HB PHE 58 HB1 PHE 58 13.443 1.305 -2.468 456 HD1 PHE 58 HD1 PHE 58 16.693 1.432 -1.013 457 HD2 PHE 58 HD2 PHE 58 14.207 3.122 -3.985 458 HE1 PHE 58 HE1 PHE 58 18.676 2.239 -2.227 459 HE2 PHE 58 HE2 PHE 58 16.174 3.950 -5.187 460 HZ PHE 58 HZ PHE 58 18.413 3.504 -4.315 461 H ARG 59 HN ARG 59 11.492 3.468 -2.450 462 HA ARG 59 HA ARG 59 9.611 1.510 -1.362 463 1HB ARG 59 HB2 ARG 59 7.734 3.022 -1.713 464 2HB ARG 59 HB1 ARG 59 8.918 3.727 -0.622 465 1HG ARG 59 HG2 ARG 59 9.716 5.176 -2.371 466 2HG ARG 59 HG1 ARG 59 8.610 4.391 -3.515 467 1HD ARG 59 HD2 ARG 59 7.873 6.549 -2.606 468 2HD ARG 59 HD1 ARG 59 6.715 5.228 -2.439 469 HE ARG 59 HE ARG 59 8.192 5.265 -0.079 470 1HH1 ARG 59 1HH1 ARG 59 6.072 7.597 -1.702 471 2HH1 ARG 59 2HH1 ARG 59 5.425 8.192 -0.249 472 1HH2 ARG 59 1HH2 ARG 59 7.353 6.058 1.828 473 2HH2 ARG 59 2HH2 ARG 59 6.220 7.357 1.843 474 H LYS 60 HN LYS 60 8.354 0.488 -2.740 475 HA LYS 60 HA LYS 60 8.598 1.022 -5.620 476 1HB LYS 60 HB2 LYS 60 10.086 -0.775 -5.124 477 2HB LYS 60 HB1 LYS 60 8.875 -1.595 -4.143 478 1HG LYS 60 HG2 LYS 60 8.819 -2.820 -6.092 479 2HG LYS 60 HG1 LYS 60 7.583 -1.607 -6.427 480 1HD LYS 60 HD2 LYS 60 8.967 -1.821 -8.367 481 2HD LYS 60 HD1 LYS 60 9.319 -0.266 -7.612 482 1HE LYS 60 HE2 LYS 60 11.380 -0.965 -6.786 483 2HE LYS 60 HE1 LYS 60 11.051 -2.647 -6.943 484 1HZ LYS 60 HZ3 LYS 60 11.396 -0.789 -9.240 485 2HZ LYS 60 HZ2 LYS 60 12.502 -1.977 -8.717 486 3HZ LYS 60 HZ1 LYS 60 11.025 -2.421 -9.353 487 H GLN 61 HN GLN 61 6.561 1.329 -6.278 488 HA GLN 61 HA GLN 61 4.594 -0.132 -4.778 489 1HB GLN 61 HB2 GLN 61 2.988 1.722 -5.253 490 2HB GLN 61 HB1 GLN 61 4.342 2.077 -4.179 491 1HG GLN 61 HG2 GLN 61 5.478 3.061 -6.132 492 2HG GLN 61 HG1 GLN 61 3.906 2.959 -6.968 493 1HE2 GLN 61 1HE2 GLN 61 5.786 4.484 -4.590 494 2HE2 GLN 61 2HE2 GLN 61 4.655 5.698 -4.105 495 H MET 62 HN MET 62 4.279 -1.755 -5.771 496 HA MET 62 HA MET 62 4.105 -1.954 -8.644 497 1HB MET 62 HB2 MET 62 3.863 -3.968 -6.394 498 2HB MET 62 HB1 MET 62 3.795 -4.379 -8.102 499 1HG MET 62 HG2 MET 62 6.046 -3.794 -8.451 500 2HG MET 62 HG1 MET 62 6.133 -2.928 -6.921 501 1HE MET 62 HE1 MET 62 6.504 -4.039 -4.587 502 2HE MET 62 HE3 MET 62 4.964 -4.888 -4.729 503 3HE MET 62 HE2 MET 62 6.438 -5.755 -4.278 504 H ASP 63 HN ASP 63 2.213 -2.114 -9.740 505 HA ASP 63 HA ASP 63 -0.138 -1.534 -8.236 506 1HB ASP 63 HB2 ASP 63 -1.297 -1.258 -10.394 507 2HB ASP 63 HB1 ASP 63 0.171 -0.300 -10.314 508 H ASP 64 HN ASP 64 -0.569 -3.209 -7.080 509 HA ASP 64 HA ASP 64 -2.414 -5.020 -8.187 510 1HB ASP 64 HB2 ASP 64 -0.016 -6.168 -8.463 511 2HB ASP 64 HB1 ASP 64 -0.144 -6.389 -6.721 512 H ILE 65 HN ILE 65 -2.752 -6.561 -6.038 513 HA ILE 65 HA ILE 65 -2.881 -4.557 -3.929 514 HB ILE 65 HB ILE 65 -4.864 -5.821 -3.062 515 1HG1 ILE 65 2HG1 ILE 65 -4.513 -7.264 -5.667 516 2HG1 ILE 65 1HG1 ILE 65 -4.462 -7.950 -4.064 517 1HG2 ILE 65 2HG2 ILE 65 -5.109 -4.658 -5.828 518 2HG2 ILE 65 1HG2 ILE 65 -6.457 -4.959 -4.728 519 3HG2 ILE 65 3HG2 ILE 65 -5.208 -3.796 -4.289 520 1HD1 ILE 65 3HD1 ILE 65 -6.847 -7.494 -3.761 521 2HD1 ILE 65 2HD1 ILE 65 -6.912 -6.813 -5.386 522 3HD1 ILE 65 1HD1 ILE 65 -6.548 -8.522 -5.164 523 H SER 66 HN SER 66 -3.123 -5.886 -1.689 524 HA SER 66 HA SER 66 -0.486 -6.976 -1.575 525 1HB SER 66 HB2 SER 66 -0.866 -6.995 0.892 526 2HB SER 66 HB1 SER 66 -1.197 -5.422 0.168 527 HG SER 66 HG SER 66 -3.153 -5.603 1.012 528 HA PRO 67 HA PRO 67 -1.279 -11.360 -1.561 529 1HB PRO 67 HB2 PRO 67 -0.181 -12.021 0.946 530 2HB PRO 67 HB1 PRO 67 0.679 -12.031 -0.590 531 1HG PRO 67 HG2 PRO 67 0.601 -9.939 1.532 532 2HG PRO 67 HG1 PRO 67 1.942 -10.403 0.475 533 1HD PRO 67 HD2 PRO 67 0.594 -8.157 0.056 534 2HD PRO 67 HD1 PRO 67 1.121 -9.150 -1.311 535 H LEU 68 HN LEU 68 -2.016 -9.461 1.218 536 HA LEU 68 HA LEU 68 -3.703 -11.346 2.488 537 1HB LEU 68 HB2 LEU 68 -2.334 -9.250 3.394 538 2HB LEU 68 HB1 LEU 68 -3.825 -8.414 3.054 539 HG LEU 68 HG LEU 68 -3.631 -9.038 5.435 540 1HD1 LEU 68 1HD1 LEU 68 -5.877 -8.895 4.453 541 2HD1 LEU 68 3HD1 LEU 68 -5.773 -10.618 4.069 542 3HD1 LEU 68 2HD1 LEU 68 -5.773 -10.099 5.749 543 1HD2 LEU 68 3HD2 LEU 68 -2.282 -11.071 5.122 544 2HD2 LEU 68 2HD2 LEU 68 -3.692 -11.347 6.147 545 3HD2 LEU 68 1HD2 LEU 68 -3.701 -11.895 4.476 546 H SER 69 HN SER 69 -4.169 -8.679 0.133 547 HA SER 69 HA SER 69 -6.951 -8.506 0.361 548 1HB SER 69 HB2 SER 69 -5.392 -8.105 -2.172 549 2HB SER 69 HB1 SER 69 -6.854 -7.267 -1.637 550 HG SER 69 HG SER 69 -5.669 -6.049 -0.262 551 H LYS 70 HN LYS 70 -4.942 -10.881 -1.085 552 HA LYS 70 HA LYS 70 -7.030 -11.878 -2.806 553 1HB LYS 70 HB2 LYS 70 -4.317 -13.128 -2.232 554 2HB LYS 70 HB1 LYS 70 -5.505 -13.853 -3.296 555 1HG LYS 70 HG2 LYS 70 -4.022 -12.786 -4.759 556 2HG LYS 70 HG1 LYS 70 -5.354 -11.640 -4.630 557 1HD LYS 70 HD2 LYS 70 -4.017 -10.505 -2.810 558 2HD LYS 70 HD1 LYS 70 -2.676 -11.540 -3.280 559 1HE LYS 70 HE2 LYS 70 -4.108 -9.638 -5.118 560 2HE LYS 70 HE1 LYS 70 -2.620 -9.267 -4.259 561 1HZ LYS 70 HZ2 LYS 70 -1.522 -11.008 -5.537 562 2HZ LYS 70 HZ1 LYS 70 -2.964 -11.341 -6.385 563 3HZ LYS 70 HZ3 LYS 70 -2.215 -9.826 -6.497 564 H VAL 71 HN VAL 71 -6.168 -12.204 0.395 565 HA VAL 71 HA VAL 71 -7.668 -14.711 0.700 566 HB VAL 71 HB VAL 71 -6.538 -15.114 2.735 567 1HG1 VAL 71 3HG1 VAL 71 -4.932 -15.206 0.937 568 2HG1 VAL 71 2HG1 VAL 71 -4.516 -13.511 1.272 569 3HG1 VAL 71 1HG1 VAL 71 -4.198 -14.736 2.482 570 1HG2 VAL 71 2HG2 VAL 71 -7.076 -13.035 3.887 571 2HG2 VAL 71 1HG2 VAL 71 -5.382 -13.476 4.125 572 3HG2 VAL 71 3HG2 VAL 71 -5.810 -12.222 2.963 573 H ASN 72 HN ASN 72 -7.557 -11.347 1.434 574 HA ASN 72 HA ASN 72 -10.253 -11.284 2.507 575 1HB ASN 72 HB2 ASN 72 -8.722 -11.577 4.436 576 2HB ASN 72 HB1 ASN 72 -7.784 -10.205 3.886 577 1HD2 ASN 72 1HD2 ASN 72 -8.628 -8.155 4.145 578 2HD2 ASN 72 2HD2 ASN 72 -9.887 -7.745 5.229 579 H GLY 73 HN GLY 73 -10.041 -10.384 0.127 580 1HA GLY 73 HA1 GLY 73 -10.202 -8.502 -1.227 581 2HA GLY 73 HA2 GLY 73 -9.175 -7.657 -0.072 582 H TYR 74 HN TYR 74 -10.319 -7.195 2.051 583 HA TYR 74 HA TYR 74 -13.179 -6.820 1.811 584 1HB TYR 74 HB2 TYR 74 -11.353 -7.207 4.137 585 2HB TYR 74 HB1 TYR 74 -12.815 -6.267 4.356 586 HD1 TYR 74 HD1 TYR 74 -11.826 -9.556 2.831 587 HD2 TYR 74 HD2 TYR 74 -14.596 -7.397 5.219 588 HE1 TYR 74 HE1 TYR 74 -13.057 -11.631 3.282 589 HE2 TYR 74 HE2 TYR 74 -15.841 -9.419 5.662 590 HH TYR 74 HH TYR 74 -14.618 -12.401 5.267 591 H ILE 75 HN ILE 75 -13.495 -5.125 0.993 592 HA ILE 75 HA ILE 75 -12.127 -2.683 1.706 593 HB ILE 75 HB ILE 75 -14.082 -3.623 -0.274 594 1HG1 ILE 75 2HG1 ILE 75 -11.436 -2.308 -0.614 595 2HG1 ILE 75 1HG1 ILE 75 -11.713 -4.045 -0.570 596 1HG2 ILE 75 1HG2 ILE 75 -14.810 -1.297 0.365 597 2HG2 ILE 75 3HG2 ILE 75 -13.162 -0.713 0.125 598 3HG2 ILE 75 2HG2 ILE 75 -14.116 -1.254 -1.256 599 1HD1 ILE 75 1HD1 ILE 75 -12.783 -2.112 -2.644 600 2HD1 ILE 75 3HD1 ILE 75 -11.457 -3.250 -2.880 601 3HD1 ILE 75 2HD1 ILE 75 -13.098 -3.841 -2.614 602 H GLY 76 HN GLY 76 -12.924 -1.607 3.334 603 1HA GLY 76 HA1 GLY 76 -14.423 -2.047 5.246 604 2HA GLY 76 HA2 GLY 76 -15.720 -2.110 4.063 605 H VAL 77 HN VAL 77 -16.908 -0.420 4.392 606 HA VAL 77 HA VAL 77 -15.407 2.036 4.662 607 HB VAL 77 HB VAL 77 -17.250 3.345 3.969 608 1HG1 VAL 77 1HG1 VAL 77 -16.688 1.143 2.035 609 2HG1 VAL 77 3HG1 VAL 77 -17.497 2.668 1.636 610 3HG1 VAL 77 2HG1 VAL 77 -15.848 2.671 2.267 611 1HG2 VAL 77 2HG2 VAL 77 -18.784 0.787 3.796 612 2HG2 VAL 77 1HG2 VAL 77 -19.053 2.188 4.848 613 3HG2 VAL 77 3HG2 VAL 77 -19.345 2.331 3.107 614 H SER 78 HN SER 78 -15.816 3.394 6.115 615 HA SER 78 HA SER 78 -17.199 2.347 8.427 616 1HB SER 78 HB2 SER 78 -15.720 4.975 8.087 617 2HB SER 78 HB1 SER 78 -16.234 4.234 9.601 618 HG SER 78 HG SER 78 -14.789 2.486 8.187 619 H ASP 79 HN ASP 79 -18.670 4.083 9.481 620 HA ASP 79 HA ASP 79 -20.977 4.209 7.983 621 1HB ASP 79 HB2 ASP 79 -20.770 4.365 10.464 622 2HB ASP 79 HB1 ASP 79 -20.297 6.047 10.259 623 H ASN 80 HN ASN 80 -18.438 6.581 8.126 624 HA ASN 80 HA ASN 80 -20.069 8.678 6.980 625 1HB ASN 80 HB2 ASN 80 -17.127 8.540 7.616 626 2HB ASN 80 HB1 ASN 80 -17.825 9.919 6.776 627 1HD2 ASN 80 1HD2 ASN 80 -18.962 8.004 9.436 628 2HD2 ASN 80 2HD2 ASN 80 -19.015 9.266 10.614 629 H GLY 81 HN GLY 81 -18.934 5.976 5.635 630 1HA GLY 81 HA1 GLY 81 -18.782 7.057 2.970 631 2HA GLY 81 HA2 GLY 81 -18.777 5.358 3.440 632 H VAL 82 HN VAL 82 -16.739 5.583 5.295 633 HA VAL 82 HA VAL 82 -14.413 6.741 4.008 634 HB VAL 82 HB VAL 82 -14.443 4.934 6.439 635 1HG1 VAL 82 2HG1 VAL 82 -12.242 5.274 5.496 636 2HG1 VAL 82 1HG1 VAL 82 -12.465 7.024 5.551 637 3HG1 VAL 82 3HG1 VAL 82 -12.381 6.099 7.051 638 1HG2 VAL 82 1HG2 VAL 82 -14.787 7.944 6.356 639 2HG2 VAL 82 3HG2 VAL 82 -16.000 6.781 6.881 640 3HG2 VAL 82 2HG2 VAL 82 -14.539 7.002 7.819 641 H ILE 83 HN ILE 83 -13.242 5.755 2.563 642 HA ILE 83 HA ILE 83 -13.980 3.138 1.539 643 HB ILE 83 HB ILE 83 -12.066 5.176 0.294 644 1HG1 ILE 83 2HG1 ILE 83 -14.218 6.190 0.636 645 2HG1 ILE 83 1HG1 ILE 83 -14.057 5.789 -1.076 646 1HG2 ILE 83 3HG2 ILE 83 -13.605 2.883 -0.986 647 2HG2 ILE 83 2HG2 ILE 83 -12.591 4.043 -1.848 648 3HG2 ILE 83 1HG2 ILE 83 -11.864 2.907 -0.709 649 1HD1 ILE 83 2HD1 ILE 83 -15.376 3.767 -0.707 650 2HD1 ILE 83 1HD1 ILE 83 -15.527 4.220 0.996 651 3HD1 ILE 83 3HD1 ILE 83 -16.281 5.222 -0.255 652 H SER 84 HN SER 84 -12.695 2.556 3.776 653 HA SER 84 HA SER 84 -9.815 2.300 3.068 654 1HB SER 84 HB2 SER 84 -11.077 1.953 5.777 655 2HB SER 84 HB1 SER 84 -9.362 2.171 5.401 656 HG SER 84 HG SER 84 -11.197 3.994 4.477 657 H THR 85 HN THR 85 -8.747 0.259 3.259 658 HA THR 85 HA THR 85 -10.586 -1.957 3.187 659 HB THR 85 HB THR 85 -8.610 -3.347 2.561 660 HG1 THR 85 HG1 THR 85 -6.705 -2.155 1.985 661 1HG2 THR 85 2HG2 THR 85 -8.991 -0.848 0.901 662 2HG2 THR 85 1HG2 THR 85 -8.216 -2.340 0.349 663 3HG2 THR 85 3HG2 THR 85 -9.920 -2.340 0.798 664 H PHE 86 HN PHE 86 -10.458 -3.701 4.591 665 HA PHE 86 HA PHE 86 -8.959 -3.116 6.964 666 1HB PHE 86 HB2 PHE 86 -11.908 -3.704 6.879 667 2HB PHE 86 HB1 PHE 86 -10.967 -3.949 8.337 668 HD1 PHE 86 HD1 PHE 86 -10.339 -2.142 9.693 669 HD2 PHE 86 HD2 PHE 86 -12.198 -1.428 5.950 670 HE1 PHE 86 HE1 PHE 86 -10.752 0.196 10.357 671 HE2 PHE 86 HE2 PHE 86 -12.630 0.905 6.598 672 HZ PHE 86 HZ PHE 86 -11.899 1.725 8.802 673 H HIS 87 HN HIS 87 -8.808 -5.093 8.383 674 HA HIS 87 HA HIS 87 -8.827 -7.490 6.743 675 1HB HIS 87 HB2 HIS 87 -7.355 -8.511 8.480 676 2HB HIS 87 HB1 HIS 87 -6.665 -7.054 7.796 677 HD1 HIS 87 HD1 HIS 87 -7.340 -8.654 10.982 678 HD2 HIS 87 HD2 HIS 87 -6.978 -4.754 9.603 679 HE1 HIS 87 HE1 HIS 87 -6.918 -7.216 13.022 680 H GLY 88 HN GLY 88 -10.399 -8.903 6.911 681 1HA GLY 88 HA1 GLY 88 -11.732 -9.455 9.373 682 2HA GLY 88 HA2 GLY 88 -12.104 -10.112 7.779 683 H ARG 89 HN ARG 89 -14.176 -9.449 9.300 684 HA ARG 89 HA ARG 89 -15.668 -7.551 7.944 685 1HB ARG 89 HB2 ARG 89 -15.926 -8.621 10.743 686 2HB ARG 89 HB1 ARG 89 -17.134 -7.586 10.013 687 1HG ARG 89 HG2 ARG 89 -16.311 -10.278 8.930 688 2HG ARG 89 HG1 ARG 89 -17.722 -10.000 9.948 689 1HD ARG 89 HD2 ARG 89 -18.592 -8.426 8.224 690 2HD ARG 89 HD1 ARG 89 -17.234 -8.816 7.199 691 HE ARG 89 HE ARG 89 -18.877 -11.032 8.089 692 1HH1 ARG 89 1HH1 ARG 89 -18.088 -8.778 5.461 693 2HH1 ARG 89 2HH1 ARG 89 -18.885 -9.705 4.268 694 1HH2 ARG 89 1HH2 ARG 89 -19.966 -12.222 6.509 695 2HH2 ARG 89 2HH2 ARG 89 -20.016 -11.704 4.872 696 HA PRO 90 HA PRO 90 -13.652 -3.892 9.471 697 1HB PRO 90 HB2 PRO 90 -15.510 -2.144 8.350 698 2HB PRO 90 HB1 PRO 90 -14.042 -2.726 7.567 699 1HG PRO 90 HG2 PRO 90 -16.837 -3.540 7.168 700 2HG PRO 90 HG1 PRO 90 -15.468 -3.677 6.062 701 1HD PRO 90 HD2 PRO 90 -16.621 -5.746 7.492 702 2HD PRO 90 HD1 PRO 90 -15.008 -5.825 6.787 703 H GLU 91 HN GLU 91 -13.918 -3.892 11.519 704 HA GLU 91 HA GLU 91 -16.326 -2.682 12.660 705 1HB GLU 91 HB2 GLU 91 -15.864 -4.042 14.697 706 2HB GLU 91 HB1 GLU 91 -16.088 -5.073 13.301 707 1HG GLU 91 HG2 GLU 91 -13.670 -5.346 13.105 708 2HG GLU 91 HG1 GLU 91 -13.444 -4.302 14.508 709 HA PRO 92 HA PRO 92 -13.471 0.436 14.079 710 1HB PRO 92 HB2 PRO 92 -14.112 0.821 16.715 711 2HB PRO 92 HB1 PRO 92 -15.053 1.506 15.375 712 1HG PRO 92 HG2 PRO 92 -15.588 -0.869 17.090 713 2HG PRO 92 HG1 PRO 92 -16.729 0.270 16.359 714 1HD PRO 92 HD2 PRO 92 -16.208 -2.255 15.414 715 2HD PRO 92 HD1 PRO 92 -16.829 -0.932 14.392 716 H ALA 93 HN ALA 93 -13.537 -2.529 15.626 717 HA ALA 93 HA ALA 93 -11.116 -2.060 17.113 718 1HB ALA 93 HB2 ALA 93 -12.915 -3.406 18.057 719 2HB ALA 93 HB3 ALA 93 -11.404 -4.316 17.942 720 3HB ALA 93 HB1 ALA 93 -12.702 -4.588 16.770 721 H SER 94 HN SER 94 -11.882 -2.727 13.972 722 HA SER 94 HA SER 94 -9.591 -4.482 13.525 723 1HB SER 94 HB2 SER 94 -11.750 -4.772 12.182 724 2HB SER 94 HB1 SER 94 -11.397 -3.192 11.468 725 HG SER 94 HG SER 94 -10.508 -5.568 10.664 726 H GLU 95 HN GLU 95 -7.972 -3.746 11.968 727 HA GLU 95 HA GLU 95 -7.267 -1.004 12.661 728 1HB GLU 95 HB2 GLU 95 -5.588 -3.142 11.371 729 2HB GLU 95 HB1 GLU 95 -5.025 -1.543 11.816 730 1HG GLU 95 HG2 GLU 95 -5.581 -2.107 14.189 731 2HG GLU 95 HG1 GLU 95 -5.898 -3.758 13.646 732 HA PRO 96 HA PRO 96 -8.289 0.210 8.478 733 1HB PRO 96 HB2 PRO 96 -6.955 2.713 9.248 734 2HB PRO 96 HB1 PRO 96 -8.613 2.466 8.693 735 1HG PRO 96 HG2 PRO 96 -7.988 3.101 11.215 736 2HG PRO 96 HG1 PRO 96 -9.411 2.114 10.803 737 1HD PRO 96 HD2 PRO 96 -6.774 1.292 11.951 738 2HD PRO 96 HD1 PRO 96 -8.399 0.624 12.227 739 H ILE 97 HN ILE 97 -7.013 -0.489 7.070 740 HA ILE 97 HA ILE 97 -4.201 -0.796 7.432 741 HB ILE 97 HB ILE 97 -5.899 -1.212 4.948 742 1HG1 ILE 97 2HG1 ILE 97 -4.981 -3.232 7.001 743 2HG1 ILE 97 1HG1 ILE 97 -6.572 -2.484 6.997 744 1HG2 ILE 97 2HG2 ILE 97 -3.153 -2.250 5.660 745 2HG2 ILE 97 1HG2 ILE 97 -4.087 -2.701 4.231 746 3HG2 ILE 97 3HG2 ILE 97 -3.519 -1.046 4.426 747 1HD1 ILE 97 1HD1 ILE 97 -5.434 -4.204 4.807 748 2HD1 ILE 97 3HD1 ILE 97 -6.653 -4.674 6.012 749 3HD1 ILE 97 2HD1 ILE 97 -7.022 -3.413 4.839 750 H GLN 98 HN GLN 98 -6.267 1.418 5.802 751 HA GLN 98 HA GLN 98 -4.386 3.519 5.775 752 1HB GLN 98 HB2 GLN 98 -3.994 3.798 3.450 753 2HB GLN 98 HB1 GLN 98 -3.897 2.055 3.587 754 1HG GLN 98 HG2 GLN 98 -6.286 3.640 2.614 755 2HG GLN 98 HG1 GLN 98 -5.157 2.736 1.619 756 1HE2 GLN 98 1HE2 GLN 98 -5.020 0.481 3.322 757 2HE2 GLN 98 2HE2 GLN 98 -6.534 -0.349 3.180 758 H SER 99 HN SER 99 -5.765 5.332 4.365 759 HA SER 99 HA SER 99 -8.515 4.620 4.320 760 1HB SER 99 HB2 SER 99 -9.077 6.886 5.472 761 2HB SER 99 HB1 SER 99 -8.532 5.559 6.498 762 HG SER 99 HG SER 99 -6.813 6.563 6.937 763 H PHE 100 HN PHE 100 -8.959 4.983 2.230 764 HA PHE 100 HA PHE 100 -7.447 6.799 0.681 765 1HB PHE 100 HB2 PHE 100 -9.936 5.253 -0.024 766 2HB PHE 100 HB1 PHE 100 -9.082 6.278 -1.170 767 HD1 PHE 100 HD1 PHE 100 -9.390 3.017 0.090 768 HD2 PHE 100 HD2 PHE 100 -6.522 5.780 -1.394 769 HE1 PHE 100 HE1 PHE 100 -7.871 1.154 -0.443 770 HE2 PHE 100 HE2 PHE 100 -5.005 3.922 -1.932 771 HZ PHE 100 HZ PHE 100 -5.683 1.608 -1.460 772 H PHE 101 HN PHE 101 -11.030 6.926 1.089 773 HA PHE 101 HA PHE 101 -10.853 9.726 1.633 774 1HB PHE 101 HB2 PHE 101 -10.577 9.384 -0.929 775 2HB PHE 101 HB1 PHE 101 -12.277 8.938 -0.918 776 HD1 PHE 101 HD1 PHE 101 -10.160 11.629 0.556 777 HD2 PHE 101 HD2 PHE 101 -13.685 10.616 -1.593 778 HE1 PHE 101 HE1 PHE 101 -10.737 14.006 0.395 779 HE2 PHE 101 HE2 PHE 101 -14.266 12.990 -1.754 780 HZ PHE 101 HZ PHE 101 -12.798 14.690 -0.763 781 H GLN 102 HN GLN 102 -13.435 10.555 1.434 782 HA GLN 102 HA GLN 102 -14.988 8.506 2.771 783 1HB GLN 102 HB2 GLN 102 -14.062 10.376 4.170 784 2HB GLN 102 HB1 GLN 102 -14.953 11.508 3.174 785 1HG GLN 102 HG2 GLN 102 -16.933 10.136 3.715 786 2HG GLN 102 HG1 GLN 102 -15.930 9.412 4.969 787 1HE2 GLN 102 1HE2 GLN 102 -15.155 10.719 6.684 788 2HE2 GLN 102 2HE2 GLN 102 -15.929 12.208 7.066 789 H ILE 103 HN ILE 103 -17.077 8.290 1.915 790 HA ILE 103 HA ILE 103 -18.051 10.294 0.008 791 HB ILE 103 HB ILE 103 -18.865 8.603 -1.530 792 1HG1 ILE 103 2HG1 ILE 103 -17.668 6.535 0.339 793 2HG1 ILE 103 1HG1 ILE 103 -19.379 6.886 0.190 794 1HG2 ILE 103 3HG2 ILE 103 -15.987 8.061 -0.829 795 2HG2 ILE 103 2HG2 ILE 103 -16.774 7.642 -2.351 796 3HG2 ILE 103 1HG2 ILE 103 -16.584 9.333 -1.893 797 1HD1 ILE 103 3HD1 ILE 103 -19.354 6.195 -2.116 798 2HD1 ILE 103 2HD1 ILE 103 -17.629 5.834 -2.010 799 3HD1 ILE 103 1HD1 ILE 103 -18.797 4.900 -1.056 800 H ASP 104 HN ASP 104 -20.403 10.289 -0.227 801 HA ASP 104 HA ASP 104 -21.659 9.719 2.280 802 1HB ASP 104 HB2 ASP 104 -22.337 11.324 -0.048 803 2HB ASP 104 HB1 ASP 104 -23.715 10.438 0.598 804 H LEU 105 HN LEU 105 -22.373 7.873 2.838 805 HA LEU 105 HA LEU 105 -22.805 5.849 0.954 806 1HB LEU 105 HB2 LEU 105 -23.491 5.919 3.861 807 2HB LEU 105 HB1 LEU 105 -23.773 4.536 2.836 808 HG LEU 105 HG LEU 105 -21.183 5.674 3.791 809 1HD1 LEU 105 2HD1 LEU 105 -22.479 2.980 3.780 810 2HD1 LEU 105 1HD1 LEU 105 -20.868 3.320 4.430 811 3HD1 LEU 105 3HD1 LEU 105 -22.299 4.058 5.164 812 1HD2 LEU 105 2HD2 LEU 105 -21.543 3.725 1.495 813 2HD2 LEU 105 1HD2 LEU 105 -20.864 5.348 1.382 814 3HD2 LEU 105 3HD2 LEU 105 -20.015 4.100 2.285 815 H GLU 106 HN GLU 106 -24.851 8.105 2.466 816 HA GLU 106 HA GLU 106 -27.337 6.979 1.779 817 1HB GLU 106 HB2 GLU 106 -28.174 9.329 1.998 818 2HB GLU 106 HB1 GLU 106 -27.265 8.747 3.388 819 1HG GLU 106 HG2 GLU 106 -25.347 9.986 2.749 820 2HG GLU 106 HG1 GLU 106 -26.053 10.415 1.202 821 H ARG 107 HN ARG 107 -24.897 8.520 -0.125 822 HA ARG 107 HA ARG 107 -26.801 9.133 -2.218 823 1HB ARG 107 HB2 ARG 107 -25.345 10.675 -2.999 824 2HB ARG 107 HB1 ARG 107 -24.698 10.530 -1.376 825 1HG ARG 107 HG2 ARG 107 -23.022 8.964 -2.188 826 2HG ARG 107 HG1 ARG 107 -23.683 9.162 -3.816 827 1HD ARG 107 HD2 ARG 107 -22.319 11.242 -2.105 828 2HD ARG 107 HD1 ARG 107 -21.773 10.581 -3.631 829 HE ARG 107 HE ARG 107 -24.303 11.863 -3.823 830 1HH1 ARG 107 1HH1 ARG 107 -20.836 12.461 -3.799 831 2HH1 ARG 107 2HH1 ARG 107 -20.925 13.881 -4.726 832 1HH2 ARG 107 1HH2 ARG 107 -24.466 13.816 -4.975 833 2HH2 ARG 107 2HH2 ARG 107 -23.080 14.713 -5.387 834 H LEU 108 HN LEU 108 -24.593 6.690 -1.323 835 HA LEU 108 HA LEU 108 -24.482 5.238 -3.783 836 1HB LEU 108 HB2 LEU 108 -24.556 4.404 -0.882 837 2HB LEU 108 HB1 LEU 108 -24.839 3.187 -2.093 838 HG LEU 108 HG LEU 108 -22.463 3.107 -1.344 839 1HD1 LEU 108 2HD1 LEU 108 -22.939 2.393 -3.414 840 2HD1 LEU 108 1HD1 LEU 108 -22.689 4.010 -4.081 841 3HD1 LEU 108 3HD1 LEU 108 -21.352 3.159 -3.294 842 1HD2 LEU 108 1HD2 LEU 108 -22.398 5.962 -2.211 843 2HD2 LEU 108 3HD2 LEU 108 -22.212 5.237 -0.596 844 3HD2 LEU 108 2HD2 LEU 108 -21.007 4.907 -1.838 845 H GLU 109 HN GLU 109 -26.033 3.324 -4.329 846 HA GLU 109 HA GLU 109 -28.694 4.361 -4.201 847 1HB GLU 109 HB2 GLU 109 -28.029 1.465 -4.868 848 2HB GLU 109 HB1 GLU 109 -29.515 2.300 -5.190 849 1HG GLU 109 HG2 GLU 109 -28.278 3.823 -6.709 850 2HG GLU 109 HG1 GLU 109 -26.868 2.785 -6.498 851 H SER 110 HN SER 110 -27.715 1.205 -2.943 852 HA SER 110 HA SER 110 -28.451 1.876 -0.279 853 1HB SER 110 HB2 SER 110 -30.236 -0.141 -1.714 854 2HB SER 110 HB1 SER 110 -30.244 0.187 0.013 855 HG SER 110 HG SER 110 -30.466 2.450 -1.401 856 H HIS 111 HN HIS 111 -28.247 -0.994 -2.357 857 HA HIS 111 HA HIS 111 -27.206 -2.553 -0.213 858 1HB HIS 111 HB2 HIS 111 -28.679 -3.515 -1.912 859 2HB HIS 111 HB1 HIS 111 -27.467 -3.221 -3.145 860 HD1 HIS 111 HD1 HIS 111 -25.956 -5.143 -3.612 861 HD2 HIS 111 HD2 HIS 111 -27.763 -5.445 0.103 862 HE1 HIS 111 HE1 HIS 111 -25.344 -7.412 -2.720 863 H MET 112 HN MET 112 -25.553 -0.853 -2.776 864 HA MET 112 HA MET 112 -23.152 -2.314 -2.618 865 1HB MET 112 HB2 MET 112 -23.588 0.551 -3.371 866 2HB MET 112 HB1 MET 112 -22.016 -0.229 -3.387 867 1HG MET 112 HG2 MET 112 -22.914 -1.864 -5.047 868 2HG MET 112 HG1 MET 112 -24.414 -0.919 -5.023 869 1HE MET 112 HE2 MET 112 -20.523 -0.347 -5.336 870 2HE MET 112 HE1 MET 112 -20.512 1.211 -6.189 871 3HE MET 112 HE3 MET 112 -21.171 1.097 -4.562 872 H GLN 113 HN GLN 113 -24.244 0.507 -0.801 873 HA GLN 113 HA GLN 113 -21.765 0.779 0.534 874 1HB GLN 113 HB2 GLN 113 -22.988 2.196 2.149 875 2HB GLN 113 HB1 GLN 113 -23.163 2.749 0.483 876 1HG GLN 113 HG2 GLN 113 -25.331 2.465 0.537 877 2HG GLN 113 HG1 GLN 113 -25.114 0.886 1.343 878 1HE2 GLN 113 1HE2 GLN 113 -25.786 4.224 1.825 879 2HE2 GLN 113 2HE2 GLN 113 -26.116 4.123 3.514 880 H LYS 114 HN LYS 114 -24.664 -1.002 1.124 881 HA LYS 114 HA LYS 114 -24.231 -1.813 3.771 882 1HB LYS 114 HB2 LYS 114 -25.555 -3.337 1.524 883 2HB LYS 114 HB1 LYS 114 -25.762 -3.665 3.234 884 1HG LYS 114 HG2 LYS 114 -26.514 -1.063 1.930 885 2HG LYS 114 HG1 LYS 114 -27.621 -2.412 2.104 886 1HD LYS 114 HD2 LYS 114 -26.220 -1.022 4.392 887 2HD LYS 114 HD1 LYS 114 -27.864 -0.666 3.859 888 1HE LYS 114 HE2 LYS 114 -28.477 -3.007 4.291 889 2HE LYS 114 HE1 LYS 114 -26.853 -3.305 4.891 890 1HZ LYS 114 HZ3 LYS 114 -27.281 -1.636 6.644 891 2HZ LYS 114 HZ2 LYS 114 -28.843 -1.426 6.062 892 3HZ LYS 114 HZ1 LYS 114 -28.385 -2.908 6.704 893 H ASN 115 HN ASN 115 -23.117 -3.067 0.666 894 HA ASN 115 HA ASN 115 -21.896 -5.420 1.682 895 1HB ASN 115 HB2 ASN 115 -21.394 -3.891 -0.877 896 2HB ASN 115 HB1 ASN 115 -20.603 -5.409 -0.484 897 1HD2 ASN 115 1HD2 ASN 115 -22.260 -4.797 -2.705 898 2HD2 ASN 115 2HD2 ASN 115 -23.637 -5.829 -2.629 899 H LEU 116 HN LEU 116 -20.903 -2.177 1.130 900 HA LEU 116 HA LEU 116 -18.148 -2.560 1.678 901 1HB LEU 116 HB2 LEU 116 -19.784 -0.041 1.918 902 2HB LEU 116 HB1 LEU 116 -18.039 -0.180 1.794 903 HG LEU 116 HG LEU 116 -19.950 -0.959 -0.422 904 1HD1 LEU 116 2HD1 LEU 116 -20.024 1.445 0.093 905 2HD1 LEU 116 1HD1 LEU 116 -18.294 1.526 -0.188 906 3HD1 LEU 116 3HD1 LEU 116 -19.379 1.070 -1.504 907 1HD2 LEU 116 3HD2 LEU 116 -17.797 -2.115 -0.467 908 2HD2 LEU 116 2HD2 LEU 116 -17.959 -0.968 -1.799 909 3HD2 LEU 116 1HD2 LEU 116 -16.963 -0.562 -0.395 910 H LEU 117 HN LEU 117 -20.991 -1.876 3.645 911 HA LEU 117 HA LEU 117 -19.758 -1.174 6.065 912 1HB LEU 117 HB2 LEU 117 -22.295 -2.777 5.741 913 2HB LEU 117 HB1 LEU 117 -21.791 -1.916 7.172 914 HG LEU 117 HG LEU 117 -22.668 -0.721 4.559 915 1HD1 LEU 117 2HD1 LEU 117 -24.470 -1.621 5.920 916 2HD1 LEU 117 1HD1 LEU 117 -23.907 -0.685 7.299 917 3HD1 LEU 117 3HD1 LEU 117 -24.530 0.144 5.871 918 1HD2 LEU 117 3HD2 LEU 117 -21.733 0.647 7.071 919 2HD2 LEU 117 2HD2 LEU 117 -20.931 0.617 5.483 920 3HD2 LEU 117 1HD2 LEU 117 -22.495 1.414 5.664 921 H LYS 118 HN LYS 118 -20.787 -4.337 4.806 922 HA LYS 118 HA LYS 118 -19.813 -5.757 7.103 923 1HB LYS 118 HB2 LYS 118 -20.729 -7.662 6.053 924 2HB LYS 118 HB1 LYS 118 -21.826 -6.344 5.653 925 1HG LYS 118 HG2 LYS 118 -20.393 -6.131 3.523 926 2HG LYS 118 HG1 LYS 118 -19.832 -7.730 3.931 927 1HD LYS 118 HD2 LYS 118 -22.189 -8.469 4.034 928 2HD LYS 118 HD1 LYS 118 -22.663 -6.915 3.357 929 1HE LYS 118 HE2 LYS 118 -21.139 -7.325 1.422 930 2HE LYS 118 HE1 LYS 118 -20.817 -8.925 2.060 931 1HZ LYS 118 HZ1 LYS 118 -23.277 -9.335 1.860 932 2HZ LYS 118 HZ3 LYS 118 -23.368 -7.893 0.965 933 3HZ LYS 118 HZ2 LYS 118 -22.423 -9.162 0.430 934 H GLY 119 HN GLY 119 -18.561 -4.794 3.990 935 1HA GLY 119 HA1 GLY 119 -16.085 -6.157 4.651 936 2HA GLY 119 HA2 GLY 119 -16.256 -4.763 3.582 937 H ILE 120 HN ILE 120 -15.823 -5.370 1.624 938 HA ILE 120 HA ILE 120 -17.366 -7.333 0.261 939 HB ILE 120 HB ILE 120 -14.730 -6.137 -0.673 940 1HG1 ILE 120 2HG1 ILE 120 -16.161 -4.291 -0.098 941 2HG1 ILE 120 1HG1 ILE 120 -16.147 -4.437 -1.851 942 1HG2 ILE 120 2HG2 ILE 120 -17.057 -7.298 -2.209 943 2HG2 ILE 120 1HG2 ILE 120 -15.654 -6.511 -2.928 944 3HG2 ILE 120 3HG2 ILE 120 -15.455 -8.017 -2.027 945 1HD1 ILE 120 2HD1 ILE 120 -18.314 -5.649 -1.682 946 2HD1 ILE 120 1HD1 ILE 120 -18.290 -5.301 0.050 947 3HD1 ILE 120 3HD1 ILE 120 -18.389 -3.975 -1.115 948 HA PRO 121 HA PRO 121 -15.096 -10.817 1.738 949 1HB PRO 121 HB2 PRO 121 -15.970 -12.669 -0.101 950 2HB PRO 121 HB1 PRO 121 -16.874 -12.186 1.336 951 1HG PRO 121 HG2 PRO 121 -17.171 -11.258 -1.490 952 2HG PRO 121 HG1 PRO 121 -18.426 -11.598 -0.288 953 1HD PRO 121 HD2 PRO 121 -17.666 -9.096 -0.907 954 2HD PRO 121 HD1 PRO 121 -18.175 -9.546 0.734 955 H PHE 122 HN PHE 122 -14.794 -9.735 -1.454 956 HA PHE 122 HA PHE 122 -12.023 -10.287 -1.684 957 1HB PHE 122 HB2 PHE 122 -12.755 -12.612 -1.909 958 2HB PHE 122 HB1 PHE 122 -13.812 -12.170 -3.233 959 HD1 PHE 122 HD1 PHE 122 -13.040 -12.130 -5.441 960 HD2 PHE 122 HD2 PHE 122 -10.229 -12.319 -2.251 961 HE1 PHE 122 HE1 PHE 122 -11.239 -12.521 -7.056 962 HE2 PHE 122 HE2 PHE 122 -8.423 -12.722 -3.876 963 HZ PHE 122 HZ PHE 122 -8.926 -12.818 -6.274 964 H ARG 123 HN ARG 123 -11.115 -9.197 -3.349 965 HA ARG 123 HA ARG 123 -12.500 -8.619 -5.774 966 1HB ARG 123 HB2 ARG 123 -11.675 -6.447 -3.826 967 2HB ARG 123 HB1 ARG 123 -11.623 -6.143 -5.552 968 1HG ARG 123 HG2 ARG 123 -14.098 -7.044 -4.098 969 2HG ARG 123 HG1 ARG 123 -13.706 -5.341 -4.372 970 1HD ARG 123 HD2 ARG 123 -13.731 -5.710 -6.774 971 2HD ARG 123 HD1 ARG 123 -14.000 -7.428 -6.540 972 HE ARG 123 HE ARG 123 -16.158 -6.750 -5.515 973 1HH1 ARG 123 1HH1 ARG 123 -14.625 -4.528 -7.877 974 2HH1 ARG 123 2HH1 ARG 123 -16.054 -4.064 -8.623 975 1HH2 ARG 123 1HH2 ARG 123 -18.200 -6.059 -6.551 976 2HH2 ARG 123 2HH2 ARG 123 -18.145 -4.966 -7.839 977 H THR 124 HN THR 124 -11.043 -8.810 -7.392 978 HA THR 124 HA THR 124 -8.247 -9.243 -6.749 979 HB THR 124 HB THR 124 -9.551 -9.091 -9.506 980 HG1 THR 124 HG1 THR 124 -10.730 -10.533 -8.306 981 1HG2 THR 124 2HG2 THR 124 -7.154 -10.617 -8.477 982 2HG2 THR 124 1HG2 THR 124 -7.813 -10.706 -10.119 983 3HG2 THR 124 3HG2 THR 124 -7.148 -9.190 -9.523 984 H LYS 125 HN LYS 125 -6.620 -7.901 -8.322 985 HA LYS 125 HA LYS 125 -6.701 -5.269 -7.497 986 1HB LYS 125 HB2 LYS 125 -4.937 -4.786 -9.154 987 2HB LYS 125 HB1 LYS 125 -4.609 -6.234 -8.220 988 1HG LYS 125 HG2 LYS 125 -5.252 -7.637 -10.072 989 2HG LYS 125 HG1 LYS 125 -5.791 -6.236 -10.989 990 1HD LYS 125 HD2 LYS 125 -2.957 -6.733 -10.099 991 2HD LYS 125 HD1 LYS 125 -3.570 -7.110 -11.709 992 1HE LYS 125 HE2 LYS 125 -4.165 -4.686 -11.953 993 2HE LYS 125 HE1 LYS 125 -3.346 -4.388 -10.421 994 1HZ LYS 125 HZ1 LYS 125 -1.310 -5.262 -11.415 995 2HZ LYS 125 HZ3 LYS 125 -2.102 -5.435 -12.901 996 3HZ LYS 125 HZ2 LYS 125 -1.857 -3.907 -12.216 997 H ALA 126 HN ALA 126 -7.917 -6.568 -10.546 998 HA ALA 126 HA ALA 126 -8.362 -4.023 -11.748 999 1HB ALA 126 HB1 ALA 126 -9.546 -5.381 -13.444 1000 2HB ALA 126 HB2 ALA 126 -9.385 -6.777 -12.355 1001 3HB ALA 126 HB3 ALA 126 -7.951 -6.032 -13.035 1002 H GLU 127 HN GLU 127 -10.099 -6.222 -9.768 1003 HA GLU 127 HA GLU 127 -12.688 -5.047 -10.274 1004 1HB GLU 127 HB2 GLU 127 -12.035 -6.932 -8.049 1005 2HB GLU 127 HB1 GLU 127 -13.530 -6.771 -8.960 1006 1HG GLU 127 HG2 GLU 127 -12.235 -7.654 -10.973 1007 2HG GLU 127 HG1 GLU 127 -10.947 -7.912 -9.860 1008 H PHE 128 HN PHE 128 -10.078 -4.834 -8.058 1009 HA PHE 128 HA PHE 128 -11.326 -3.491 -5.917 1010 1HB PHE 128 HB2 PHE 128 -9.219 -4.662 -5.625 1011 2HB PHE 128 HB1 PHE 128 -8.457 -3.674 -6.861 1012 HD1 PHE 128 HD1 PHE 128 -9.472 -3.889 -3.413 1013 HD2 PHE 128 HD2 PHE 128 -7.955 -1.352 -6.429 1014 HE1 PHE 128 HE1 PHE 128 -8.762 -2.290 -1.679 1015 HE2 PHE 128 HE2 PHE 128 -7.222 0.274 -4.725 1016 HZ PHE 128 HZ PHE 128 -7.630 -0.201 -2.330 1017 H GLU 129 HN GLU 129 -9.255 -2.354 -8.606 1018 HA GLU 129 HA GLU 129 -9.678 0.350 -8.004 1019 1HB GLU 129 HB2 GLU 129 -8.892 0.773 -10.370 1020 2HB GLU 129 HB1 GLU 129 -7.793 -0.146 -9.352 1021 1HG GLU 129 HG2 GLU 129 -8.190 -2.103 -10.452 1022 2HG GLU 129 HG1 GLU 129 -9.731 -1.550 -11.091 1023 H ASP 130 HN ASP 130 -11.555 -1.952 -9.722 1024 HA ASP 130 HA ASP 130 -13.329 -0.292 -11.142 1025 1HB ASP 130 HB2 ASP 130 -13.332 -2.632 -11.592 1026 2HB ASP 130 HB1 ASP 130 -13.569 -3.022 -9.907 1027 H VAL 131 HN VAL 131 -13.676 -1.824 -8.017 1028 HA VAL 131 HA VAL 131 -16.052 -0.420 -7.406 1029 HB VAL 131 HB VAL 131 -15.663 -2.558 -6.261 1030 1HG1 VAL 131 1HG1 VAL 131 -13.276 -2.494 -6.204 1031 2HG1 VAL 131 3HG1 VAL 131 -13.329 -1.286 -4.924 1032 3HG1 VAL 131 2HG1 VAL 131 -13.965 -2.909 -4.629 1033 1HG2 VAL 131 1HG2 VAL 131 -15.585 -0.303 -4.277 1034 2HG2 VAL 131 3HG2 VAL 131 -17.037 -0.963 -5.040 1035 3HG2 VAL 131 2HG2 VAL 131 -16.075 -1.963 -3.940 1036 H ILE 132 HN ILE 132 -12.677 0.206 -6.703 1037 HA ILE 132 HA ILE 132 -13.121 2.416 -5.045 1038 HB ILE 132 HB ILE 132 -10.792 1.181 -6.351 1039 1HG1 ILE 132 2HG1 ILE 132 -9.743 1.534 -4.160 1040 2HG1 ILE 132 1HG1 ILE 132 -11.101 2.526 -3.659 1041 1HG2 ILE 132 1HG2 ILE 132 -10.465 3.367 -7.271 1042 2HG2 ILE 132 3HG2 ILE 132 -10.615 4.102 -5.674 1043 3HG2 ILE 132 2HG2 ILE 132 -9.245 3.042 -6.035 1044 1HD1 ILE 132 2HD1 ILE 132 -11.203 -0.406 -4.328 1045 2HD1 ILE 132 1HD1 ILE 132 -11.217 0.294 -2.705 1046 3HD1 ILE 132 3HD1 ILE 132 -12.565 0.583 -3.807 1047 H GLU 133 HN GLU 133 -12.802 2.221 -8.574 1048 HA GLU 133 HA GLU 133 -12.786 5.022 -8.880 1049 1HB GLU 133 HB2 GLU 133 -13.127 4.660 -11.269 1050 2HB GLU 133 HB1 GLU 133 -11.956 3.498 -10.653 1051 1HG GLU 133 HG2 GLU 133 -13.599 1.796 -10.685 1052 2HG GLU 133 HG1 GLU 133 -14.826 2.968 -11.186 1053 H HIS 134 HN HIS 134 -15.256 2.691 -8.456 1054 HA HIS 134 HA HIS 134 -17.430 4.389 -9.227 1055 1HB HIS 134 HB2 HIS 134 -17.321 1.795 -9.099 1056 2HB HIS 134 HB1 HIS 134 -17.635 2.005 -7.383 1057 HD1 HIS 134 HD1 HIS 134 -19.469 1.005 -10.152 1058 HD2 HIS 134 HD2 HIS 134 -20.092 4.005 -7.345 1059 HE1 HIS 134 HE1 HIS 134 -21.929 1.465 -10.166 1060 H MET 135 HN MET 135 -15.782 3.549 -6.265 1061 HA MET 135 HA MET 135 -17.369 4.935 -4.357 1062 1HB MET 135 HB2 MET 135 -14.376 4.496 -4.290 1063 2HB MET 135 HB1 MET 135 -15.362 4.980 -2.934 1064 1HG MET 135 HG2 MET 135 -15.518 2.327 -4.355 1065 2HG MET 135 HG1 MET 135 -14.650 2.622 -2.863 1066 1HE MET 135 HE3 MET 135 -17.945 1.607 -4.508 1067 2HE MET 135 HE2 MET 135 -19.190 2.071 -3.358 1068 3HE MET 135 HE1 MET 135 -18.382 3.306 -4.324 1069 H LYS 136 HN LYS 136 -14.540 5.947 -6.196 1070 HA LYS 136 HA LYS 136 -14.599 8.566 -5.097 1071 1HB LYS 136 HB2 LYS 136 -12.895 9.185 -6.735 1072 2HB LYS 136 HB1 LYS 136 -12.487 7.705 -5.881 1073 1HG LYS 136 HG2 LYS 136 -13.178 6.407 -7.728 1074 2HG LYS 136 HG1 LYS 136 -13.682 7.840 -8.621 1075 1HD LYS 136 HD2 LYS 136 -11.484 7.067 -9.379 1076 2HD LYS 136 HD1 LYS 136 -11.386 8.658 -8.625 1077 1HE LYS 136 HE2 LYS 136 -10.533 7.727 -6.605 1078 2HE LYS 136 HE1 LYS 136 -10.799 6.083 -7.178 1079 1HZ LYS 136 HZ2 LYS 136 -8.908 8.064 -8.346 1080 2HZ LYS 136 HZ1 LYS 136 -8.473 6.772 -7.354 1081 3HZ LYS 136 HZ3 LYS 136 -9.109 6.489 -8.883 1082 H THR 137 HN THR 137 -16.364 7.014 -7.527 1083 HA THR 137 HA THR 137 -16.921 9.275 -9.091 1084 HB THR 137 HB THR 137 -17.404 6.501 -9.102 1085 HG1 THR 137 HG1 THR 137 -17.453 6.734 -11.162 1086 1HG2 THR 137 2HG2 THR 137 -20.010 8.020 -9.266 1087 2HG2 THR 137 1HG2 THR 137 -19.770 6.352 -9.870 1088 3HG2 THR 137 3HG2 THR 137 -19.491 6.714 -8.172 1089 H TYR 138 HN TYR 138 -17.983 8.064 -6.020 1090 HA TYR 138 HA TYR 138 -20.154 9.956 -5.844 1091 1HB TYR 138 HB2 TYR 138 -18.951 8.041 -3.819 1092 2HB TYR 138 HB1 TYR 138 -20.324 9.092 -3.476 1093 HD1 TYR 138 HD1 TYR 138 -22.201 8.945 -5.199 1094 HD2 TYR 138 HD2 TYR 138 -19.429 5.822 -4.510 1095 HE1 TYR 138 HE1 TYR 138 -23.786 7.291 -6.215 1096 HE2 TYR 138 HE2 TYR 138 -20.907 4.248 -5.524 1097 HH TYR 138 HH TYR 138 -23.661 5.151 -7.297 1098 H SER 139 HN SER 139 -17.033 9.330 -4.300 1099 HA SER 139 HA SER 139 -15.509 10.566 -3.244 1100 1HB SER 139 HB2 SER 139 -14.888 12.674 -4.332 1101 2HB SER 139 HB1 SER 139 -15.009 11.320 -5.448 1102 HG SER 139 HG SER 139 -17.390 12.548 -5.271 1103 H GLY 140 HN GLY 140 -18.406 10.998 -2.238 1104 1HA GLY 140 HA1 GLY 140 -18.115 13.637 -1.206 1105 2HA GLY 140 HA2 GLY 140 -18.072 12.302 -0.044 No H/Q in entry = 1105 Start of MODEL 4 1 H1 ALA 1 HT2 ALA 1 33.216 16.131 8.356 2 H2 ALA 1 HT1 ALA 1 33.336 17.814 8.137 3 H3 ALA 1 HT3 ALA 1 32.821 16.839 6.877 4 HA ALA 1 HA ALA 1 35.042 17.389 6.425 5 1HB ALA 1 HB1 ALA 1 35.684 17.974 8.701 6 2HB ALA 1 HB3 ALA 1 35.570 16.283 9.177 7 3HB ALA 1 HB2 ALA 1 36.807 16.789 8.030 8 H GLU 2 HN GLU 2 33.000 15.099 6.276 9 HA GLU 2 HA GLU 2 34.895 12.904 5.985 10 1HB GLU 2 HB2 GLU 2 31.932 12.659 6.573 11 2HB GLU 2 HB1 GLU 2 33.099 11.361 6.497 12 1HG GLU 2 HG2 GLU 2 32.655 11.644 8.786 13 2HG GLU 2 HG1 GLU 2 34.200 12.452 8.538 14 H VAL 3 HN VAL 3 34.519 11.580 4.181 15 HA VAL 3 HA VAL 3 32.636 12.579 2.136 16 HB VAL 3 HB VAL 3 34.220 11.778 0.412 17 1HG1 VAL 3 3HG1 VAL 3 35.414 13.844 2.248 18 2HG1 VAL 3 2HG1 VAL 3 35.899 13.567 0.575 19 3HG1 VAL 3 1HG1 VAL 3 34.265 14.126 0.943 20 1HG2 VAL 3 1HG2 VAL 3 36.136 11.378 2.708 21 2HG2 VAL 3 3HG2 VAL 3 35.433 10.110 1.708 22 3HG2 VAL 3 2HG2 VAL 3 36.567 11.263 1.000 23 H GLU 4 HN GLU 4 32.525 10.699 0.442 24 HA GLU 4 HA GLU 4 31.520 8.461 1.922 25 1HB GLU 4 HB2 GLU 4 31.746 9.024 -1.020 26 2HB GLU 4 HB1 GLU 4 30.885 7.626 -0.347 27 1HG GLU 4 HG2 GLU 4 30.216 10.532 0.099 28 2HG GLU 4 HG1 GLU 4 29.372 9.462 -1.013 29 H HIS 5 HN HIS 5 32.866 7.047 2.627 30 HA HIS 5 HA HIS 5 35.557 6.943 1.617 31 1HB HIS 5 HB2 HIS 5 34.364 5.295 3.851 32 2HB HIS 5 HB1 HIS 5 36.059 5.585 3.538 33 HD1 HIS 5 HD1 HIS 5 33.791 6.562 5.961 34 HD2 HIS 5 HD2 HIS 5 36.335 8.717 3.480 35 HE1 HIS 5 HE1 HIS 5 34.060 8.832 7.030 36 H TYR 6 HN TYR 6 36.450 4.520 1.767 37 HA TYR 6 HA TYR 6 35.059 3.179 -0.387 38 1HB TYR 6 HB2 TYR 6 37.754 2.802 0.895 39 2HB TYR 6 HB1 TYR 6 37.171 1.839 -0.460 40 HD1 TYR 6 HD1 TYR 6 37.932 2.496 -2.560 41 HD2 TYR 6 HD2 TYR 6 37.485 5.455 0.452 42 HE1 TYR 6 HE1 TYR 6 38.759 4.216 -4.120 43 HE2 TYR 6 HE2 TYR 6 38.311 7.175 -1.089 44 HH TYR 6 HH TYR 6 38.651 6.599 -4.427 45 H GLU 7 HN GLU 7 35.365 3.108 2.889 46 HA GLU 7 HA GLU 7 34.912 0.335 3.378 47 1HB GLU 7 HB2 GLU 7 34.241 2.677 5.187 48 2HB GLU 7 HB1 GLU 7 34.539 1.010 5.678 49 1HG GLU 7 HG2 GLU 7 36.859 1.261 4.798 50 2HG GLU 7 HG1 GLU 7 36.526 2.972 4.571 51 HA PRO 8 HA PRO 8 30.811 0.093 2.003 52 1HB PRO 8 HB2 PRO 8 29.706 -1.533 3.815 53 2HB PRO 8 HB1 PRO 8 30.678 -2.114 2.444 54 1HG PRO 8 HG2 PRO 8 31.409 -1.718 5.318 55 2HG PRO 8 HG1 PRO 8 31.940 -2.990 4.201 56 1HD PRO 8 HD2 PRO 8 33.522 -0.949 4.851 57 2HD PRO 8 HD1 PRO 8 33.512 -1.641 3.212 58 H LEU 9 HN LEU 9 28.694 0.432 2.367 59 HA LEU 9 HA LEU 9 28.059 2.466 4.423 60 1HB LEU 9 HB2 LEU 9 27.814 2.486 1.593 61 2HB LEU 9 HB1 LEU 9 26.278 2.047 2.182 62 HG LEU 9 HG LEU 9 26.441 4.480 1.769 63 1HD1 LEU 9 3HD1 LEU 9 25.803 3.663 4.596 64 2HD1 LEU 9 2HD1 LEU 9 25.284 5.159 3.817 65 3HD1 LEU 9 1HD1 LEU 9 24.706 3.605 3.218 66 1HD2 LEU 9 2HD2 LEU 9 28.745 4.796 2.576 67 2HD2 LEU 9 1HD2 LEU 9 27.604 5.886 3.370 68 3HD2 LEU 9 3HD2 LEU 9 28.194 4.462 4.219 69 H GLN 10 HN GLN 10 26.583 1.770 5.894 70 HA GLN 10 HA GLN 10 25.131 -0.658 5.399 71 1HB GLN 10 HB2 GLN 10 25.454 1.087 7.808 72 2HB GLN 10 HB1 GLN 10 24.277 -0.217 7.753 73 1HG GLN 10 HG2 GLN 10 26.069 -1.778 7.287 74 2HG GLN 10 HG1 GLN 10 27.239 -0.461 7.380 75 1HE2 GLN 10 1HE2 GLN 10 28.290 -1.525 9.015 76 2HE2 GLN 10 2HE2 GLN 10 27.687 -1.571 10.627 77 H VAL 11 HN VAL 11 23.587 -0.352 4.055 78 HA VAL 11 HA VAL 11 21.867 1.994 4.285 79 HB VAL 11 HB VAL 11 21.541 -0.135 2.244 80 1HG1 VAL 11 3HG1 VAL 11 19.865 1.517 2.355 81 2HG1 VAL 11 2HG1 VAL 11 21.059 2.811 2.180 82 3HG1 VAL 11 1HG1 VAL 11 20.766 1.689 0.849 83 1HG2 VAL 11 3HG2 VAL 11 23.634 2.043 2.044 84 2HG2 VAL 11 2HG2 VAL 11 23.888 0.290 2.102 85 3HG2 VAL 11 1HG2 VAL 11 23.098 1.007 0.708 86 H HIS 12 HN HIS 12 20.123 1.721 5.445 87 HA HIS 12 HA HIS 12 18.974 -0.934 5.728 88 1HB HIS 12 HB2 HIS 12 18.320 1.642 7.194 89 2HB HIS 12 HB1 HIS 12 17.673 0.030 7.550 90 HD1 HIS 12 HD1 HIS 12 20.886 2.023 7.794 91 HD2 HIS 12 HD2 HIS 12 19.291 -1.593 9.073 92 HE1 HIS 12 HE1 HIS 12 22.548 1.069 9.420 93 H VAL 13 HN VAL 13 17.766 -1.355 4.147 94 HA VAL 13 HA VAL 13 16.310 0.676 2.624 95 HB VAL 13 HB VAL 13 16.421 -2.227 1.979 96 1HG1 VAL 13 3HG1 VAL 13 15.047 -0.834 0.613 97 2HG1 VAL 13 2HG1 VAL 13 16.423 0.215 0.249 98 3HG1 VAL 13 1HG1 VAL 13 16.416 -1.462 -0.305 99 1HG2 VAL 13 2HG2 VAL 13 18.703 -0.328 1.464 100 2HG2 VAL 13 1HG2 VAL 13 18.731 -1.757 2.493 101 3HG2 VAL 13 3HG2 VAL 13 18.536 -1.933 0.748 102 H GLN 14 HN GLN 14 14.279 0.966 3.152 103 HA GLN 14 HA GLN 14 12.750 -1.185 4.409 104 1HB GLN 14 HB2 GLN 14 12.620 1.221 5.246 105 2HB GLN 14 HB1 GLN 14 11.804 1.615 3.740 106 1HG GLN 14 HG2 GLN 14 10.044 -0.034 4.313 107 2HG GLN 14 HG1 GLN 14 10.837 -0.301 5.859 108 1HE2 GLN 14 1HE2 GLN 14 8.816 1.727 4.022 109 2HE2 GLN 14 2HE2 GLN 14 8.421 2.858 5.259 110 H LEU 15 HN LEU 15 11.838 -2.552 3.076 111 HA LEU 15 HA LEU 15 11.201 -1.733 0.354 112 1HB LEU 15 HB2 LEU 15 11.114 -4.450 1.635 113 2HB LEU 15 HB1 LEU 15 10.987 -4.099 -0.072 114 HG LEU 15 HG LEU 15 13.436 -3.842 1.666 115 1HD1 LEU 15 1HD1 LEU 15 12.780 -5.657 -0.634 116 2HD1 LEU 15 3HD1 LEU 15 14.331 -5.570 0.197 117 3HD1 LEU 15 2HD1 LEU 15 12.895 -6.113 1.066 118 1HD2 LEU 15 2HD2 LEU 15 13.382 -2.027 0.016 119 2HD2 LEU 15 1HD2 LEU 15 14.641 -3.206 -0.357 120 3HD2 LEU 15 3HD2 LEU 15 13.135 -3.207 -1.269 121 H GLU 16 HN GLU 16 9.176 -1.102 0.021 122 HA GLU 16 HA GLU 16 7.009 -2.204 1.683 123 1HB GLU 16 HB2 GLU 16 6.933 0.016 -0.364 124 2HB GLU 16 HB1 GLU 16 5.594 -0.488 0.646 125 1HG GLU 16 HG2 GLU 16 6.768 0.286 2.618 126 2HG GLU 16 HG1 GLU 16 8.154 0.761 1.634 127 H LYS 17 HN LYS 17 5.582 -3.580 0.832 128 HA LYS 17 HA LYS 17 5.787 -4.135 -2.055 129 1HB LYS 17 HB2 LYS 17 5.195 -5.978 0.271 130 2HB LYS 17 HB1 LYS 17 4.676 -6.382 -1.353 131 1HG LYS 17 HG2 LYS 17 6.721 -7.565 -0.807 132 2HG LYS 17 HG1 LYS 17 7.024 -6.405 -2.092 133 1HD LYS 17 HD2 LYS 17 8.034 -4.875 -0.451 134 2HD LYS 17 HD1 LYS 17 7.710 -6.045 0.831 135 1HE LYS 17 HE2 LYS 17 9.427 -6.599 -1.596 136 2HE LYS 17 HE1 LYS 17 10.068 -6.102 -0.042 137 1HZ LYS 17 HZ2 LYS 17 8.495 -8.594 -0.510 138 2HZ LYS 17 HZ1 LYS 17 10.169 -8.505 -0.362 139 3HZ LYS 17 HZ3 LYS 17 9.184 -8.114 0.937 140 H VAL 18 HN VAL 18 4.083 -3.128 -3.049 141 HA VAL 18 HA VAL 18 1.880 -2.419 -1.350 142 HB VAL 18 HB VAL 18 2.132 -1.799 -4.295 143 1HG1 VAL 18 1HG1 VAL 18 -0.073 -1.471 -3.427 144 2HG1 VAL 18 3HG1 VAL 18 0.553 -0.455 -2.126 145 3HG1 VAL 18 2HG1 VAL 18 0.678 0.079 -3.804 146 1HG2 VAL 18 2HG2 VAL 18 3.171 -0.158 -1.973 147 2HG2 VAL 18 1HG2 VAL 18 4.139 -0.988 -3.197 148 3HG2 VAL 18 3HG2 VAL 18 3.106 0.356 -3.666 149 H TYR 19 HN TYR 19 0.789 -4.186 -0.931 150 HA TYR 19 HA TYR 19 -0.306 -5.779 -3.086 151 1HB TYR 19 HB2 TYR 19 -0.475 -5.973 -0.086 152 2HB TYR 19 HB1 TYR 19 -1.502 -6.935 -1.135 153 HD1 TYR 19 HD1 TYR 19 2.025 -6.309 -0.147 154 HD2 TYR 19 HD2 TYR 19 -0.685 -8.853 -2.219 155 HE1 TYR 19 HE1 TYR 19 3.764 -8.019 -0.317 156 HE2 TYR 19 HE2 TYR 19 1.036 -10.562 -2.399 157 HH TYR 19 HH TYR 19 3.476 -10.720 -2.366 158 H LEU 20 HN LEU 20 -2.400 -5.827 -3.620 159 HA LEU 20 HA LEU 20 -3.908 -3.418 -3.199 160 1HB LEU 20 HB2 LEU 20 -4.706 -6.017 -4.468 161 2HB LEU 20 HB1 LEU 20 -5.569 -4.497 -4.616 162 HG LEU 20 HG LEU 20 -2.812 -5.088 -5.668 163 1HD1 LEU 20 1HD1 LEU 20 -4.576 -6.234 -6.813 164 2HD1 LEU 20 3HD1 LEU 20 -5.438 -4.718 -7.069 165 3HD1 LEU 20 2HD1 LEU 20 -3.861 -4.984 -7.837 166 1HD2 LEU 20 3HD2 LEU 20 -3.063 -2.775 -4.982 167 2HD2 LEU 20 2HD2 LEU 20 -2.980 -2.899 -6.743 168 3HD2 LEU 20 1HD2 LEU 20 -4.535 -2.629 -5.941 169 H ASP 21 HN ASP 21 -3.686 -6.424 -1.891 170 HA ASP 21 HA ASP 21 -6.073 -6.800 -0.424 171 1HB ASP 21 HB2 ASP 21 -4.300 -8.495 -0.521 172 2HB ASP 21 HB1 ASP 21 -3.232 -7.448 0.397 173 H GLY 22 HN GLY 22 -3.413 -4.634 0.151 174 1HA GLY 22 HA1 GLY 22 -4.948 -3.473 2.362 175 2HA GLY 22 HA2 GLY 22 -3.817 -2.588 1.343 176 H ASP 23 HN ASP 23 -2.954 -5.703 2.406 177 HA ASP 23 HA ASP 23 -1.449 -4.708 4.657 178 1HB ASP 23 HB2 ASP 23 -2.575 -6.968 4.632 179 2HB ASP 23 HB1 ASP 23 -1.412 -7.460 3.408 180 H VAL 24 HN VAL 24 0.252 -3.519 4.058 181 HA VAL 24 HA VAL 24 1.803 -4.236 1.703 182 HB VAL 24 HB VAL 24 2.382 -1.983 3.660 183 1HG1 VAL 24 1HG1 VAL 24 3.258 -2.360 0.837 184 2HG1 VAL 24 3HG1 VAL 24 3.574 -0.947 1.843 185 3HG1 VAL 24 2HG1 VAL 24 4.241 -2.517 2.292 186 1HG2 VAL 24 1HG2 VAL 24 0.707 -1.857 1.157 187 2HG2 VAL 24 3HG2 VAL 24 0.110 -1.679 2.806 188 3HG2 VAL 24 2HG2 VAL 24 1.201 -0.468 2.128 189 H SER 25 HN SER 25 3.465 -5.542 1.905 190 HA SER 25 HA SER 25 4.281 -6.311 4.562 191 1HB SER 25 HB2 SER 25 3.976 -8.000 2.697 192 2HB SER 25 HB1 SER 25 5.380 -7.281 1.909 193 HG SER 25 HG SER 25 5.318 -8.486 4.471 194 H ILE 26 HN ILE 26 5.597 -5.147 5.608 195 HA ILE 26 HA ILE 26 7.514 -3.482 4.210 196 HB ILE 26 HB ILE 26 6.715 -3.547 7.131 197 1HG1 ILE 26 2HG1 ILE 26 4.860 -2.758 5.794 198 2HG1 ILE 26 1HG1 ILE 26 5.568 -1.390 6.645 199 1HG2 ILE 26 1HG2 ILE 26 8.989 -2.698 6.848 200 2HG2 ILE 26 3HG2 ILE 26 8.413 -1.548 5.637 201 3HG2 ILE 26 2HG2 ILE 26 7.891 -1.395 7.317 202 1HD1 ILE 26 3HD1 ILE 26 6.746 -0.770 4.573 203 2HD1 ILE 26 2HD1 ILE 26 5.925 -2.113 3.763 204 3HD1 ILE 26 1HD1 ILE 26 4.982 -0.769 4.398 205 H GLU 27 HN GLU 27 9.493 -4.061 4.061 206 HA GLU 27 HA GLU 27 10.607 -5.921 5.999 207 1HB GLU 27 HB2 GLU 27 10.356 -7.321 4.162 208 2HB GLU 27 HB1 GLU 27 10.680 -6.042 3.005 209 1HG GLU 27 HG2 GLU 27 12.931 -6.177 3.285 210 2HG GLU 27 HG1 GLU 27 12.833 -6.952 4.845 211 H HIS 28 HN HIS 28 12.721 -5.561 6.576 212 HA HIS 28 HA HIS 28 13.911 -3.087 5.575 213 1HB HIS 28 HB2 HIS 28 14.086 -4.296 8.340 214 2HB HIS 28 HB1 HIS 28 14.931 -2.842 7.817 215 HD1 HIS 28 HD1 HIS 28 12.289 -3.441 9.948 216 HD2 HIS 28 HD2 HIS 28 12.610 -1.270 6.453 217 HE1 HIS 28 HE1 HIS 28 10.431 -1.749 10.027 218 H LYS 29 HN LYS 29 15.641 -3.483 4.469 219 HA LYS 29 HA LYS 29 17.179 -5.946 4.949 220 1HB LYS 29 HB2 LYS 29 17.135 -4.119 2.522 221 2HB LYS 29 HB1 LYS 29 18.087 -5.570 2.664 222 1HG LYS 29 HG2 LYS 29 15.130 -5.441 2.640 223 2HG LYS 29 HG1 LYS 29 16.189 -5.872 1.284 224 1HD LYS 29 HD2 LYS 29 17.075 -7.581 3.154 225 2HD LYS 29 HD1 LYS 29 15.391 -7.398 3.662 226 1HE LYS 29 HE2 LYS 29 14.738 -7.795 1.287 227 2HE LYS 29 HE1 LYS 29 16.444 -8.186 1.016 228 1HZ LYS 29 HZ1 LYS 29 16.235 -10.001 2.644 229 2HZ LYS 29 HZ3 LYS 29 14.584 -9.633 2.839 230 3HZ LYS 29 HZ2 LYS 29 15.157 -10.206 1.356 231 H HIS 30 HN HIS 30 19.118 -5.621 5.872 232 HA HIS 30 HA HIS 30 20.203 -2.921 5.663 233 1HB HIS 30 HB2 HIS 30 21.582 -3.429 7.690 234 2HB HIS 30 HB1 HIS 30 19.858 -3.409 8.006 235 HD1 HIS 30 HD1 HIS 30 18.767 -5.738 8.673 236 HD2 HIS 30 HD2 HIS 30 22.883 -5.824 8.160 237 HE1 HIS 30 HE1 HIS 30 19.540 -7.908 9.659 238 H GLU 31 HN GLU 31 21.604 -2.765 4.131 239 HA GLU 31 HA GLU 31 23.463 -4.999 3.890 240 1HB GLU 31 HB2 GLU 31 23.399 -4.893 1.443 241 2HB GLU 31 HB1 GLU 31 21.847 -5.276 2.165 242 1HG GLU 31 HG2 GLU 31 21.036 -3.068 1.767 243 2HG GLU 31 HG1 GLU 31 22.608 -2.588 1.110 244 H LYS 32 HN LYS 32 25.501 -4.603 3.496 245 HA LYS 32 HA LYS 32 26.331 -1.840 3.570 246 1HB LYS 32 HB2 LYS 32 27.734 -4.433 3.953 247 2HB LYS 32 HB1 LYS 32 28.636 -2.956 3.762 248 1HG LYS 32 HG2 LYS 32 27.385 -2.052 5.709 249 2HG LYS 32 HG1 LYS 32 26.682 -3.626 6.001 250 1HD LYS 32 HD2 LYS 32 29.522 -2.695 6.276 251 2HD LYS 32 HD1 LYS 32 28.526 -3.573 7.436 252 1HE LYS 32 HE2 LYS 32 28.640 -5.524 5.787 253 2HE LYS 32 HE1 LYS 32 29.856 -4.529 4.968 254 1HZ LYS 32 HZ1 LYS 32 31.205 -4.547 6.958 255 2HZ LYS 32 HZ3 LYS 32 30.077 -5.497 7.773 256 3HZ LYS 32 HZ2 LYS 32 30.922 -6.111 6.452 257 H VAL 33 HN VAL 33 26.744 -0.818 1.794 258 HA VAL 33 HA VAL 33 27.658 -2.404 -0.529 259 HB VAL 33 HB VAL 33 26.426 -1.181 -1.990 260 1HG1 VAL 33 3HG1 VAL 33 24.857 -2.296 -0.521 261 2HG1 VAL 33 2HG1 VAL 33 24.841 -0.806 0.459 262 3HG1 VAL 33 1HG1 VAL 33 24.196 -0.769 -1.176 263 1HG2 VAL 33 2HG2 VAL 33 27.267 1.035 -1.506 264 2HG2 VAL 33 1HG2 VAL 33 25.512 1.005 -1.748 265 3HG2 VAL 33 3HG2 VAL 33 26.169 1.167 -0.110 266 H PHE 34 HN PHE 34 29.334 -1.490 -1.819 267 HA PHE 34 HA PHE 34 31.066 0.200 -0.249 268 1HB PHE 34 HB2 PHE 34 31.438 -1.101 -2.927 269 2HB PHE 34 HB1 PHE 34 32.698 -0.249 -2.038 270 HD1 PHE 34 HD1 PHE 34 32.718 -1.179 0.593 271 HD2 PHE 34 HD2 PHE 34 31.692 -3.372 -2.910 272 HE1 PHE 34 HE1 PHE 34 33.343 -3.271 1.721 273 HE2 PHE 34 HE2 PHE 34 32.303 -5.468 -1.777 274 HZ PHE 34 HZ PHE 34 33.132 -5.416 0.542 275 H SER 35 HN SER 35 29.258 0.253 -3.234 276 HA SER 35 HA SER 35 29.686 3.144 -3.357 277 1HB SER 35 HB2 SER 35 30.859 1.917 -5.212 278 2HB SER 35 HB1 SER 35 29.302 1.255 -5.688 279 HG SER 35 HG SER 35 30.288 3.850 -5.878 280 H MET 36 HN MET 36 27.814 4.172 -3.076 281 HA MET 36 HA MET 36 25.367 2.824 -2.863 282 1HB MET 36 HB2 MET 36 26.079 5.701 -3.081 283 2HB MET 36 HB1 MET 36 24.391 5.240 -3.093 284 1HG MET 36 HG2 MET 36 25.646 3.899 -0.913 285 2HG MET 36 HG1 MET 36 26.150 5.610 -0.936 286 1HE MET 36 HE2 MET 36 22.997 4.167 -2.356 287 2HE MET 36 HE1 MET 36 22.889 3.215 -0.896 288 3HE MET 36 HE3 MET 36 21.713 4.521 -1.213 289 H ASP 37 HN ASP 37 26.957 4.162 -5.472 290 HA ASP 37 HA ASP 37 24.896 4.449 -7.369 291 1HB ASP 37 HB2 ASP 37 27.060 5.292 -7.935 292 2HB ASP 37 HB1 ASP 37 27.798 3.705 -7.764 293 H ASP 38 HN ASP 38 26.714 1.606 -6.397 294 HA ASP 38 HA ASP 38 25.612 -0.182 -8.337 295 1HB ASP 38 HB2 ASP 38 27.717 -0.711 -7.078 296 2HB ASP 38 HB1 ASP 38 26.747 -0.763 -5.613 297 H PHE 39 HN PHE 39 24.811 0.824 -5.103 298 HA PHE 39 HA PHE 39 22.840 -0.999 -4.533 299 1HB PHE 39 HB2 PHE 39 23.831 0.350 -2.840 300 2HB PHE 39 HB1 PHE 39 23.256 1.824 -3.603 301 HD1 PHE 39 HD1 PHE 39 22.324 -1.090 -1.604 302 HD2 PHE 39 HD2 PHE 39 20.995 2.502 -3.396 303 HE1 PHE 39 HE1 PHE 39 20.297 -1.190 -0.238 304 HE2 PHE 39 HE2 PHE 39 18.946 2.442 -2.049 305 HZ PHE 39 HZ PHE 39 18.576 0.584 -0.469 306 H TRP 40 HN TRP 40 22.775 2.234 -6.011 307 HA TRP 40 HA TRP 40 19.989 2.451 -6.336 308 1HB TRP 40 HB2 TRP 40 22.167 3.785 -7.932 309 2HB TRP 40 HB1 TRP 40 20.471 4.267 -7.950 310 HD1 TRP 40 HD1 TRP 40 23.438 5.610 -6.624 311 HE1 TRP 40 HE1 TRP 40 23.165 6.742 -4.333 312 HE3 TRP 40 HE3 TRP 40 18.857 3.741 -5.333 313 HZ2 TRP 40 HZ2 TRP 40 21.245 6.847 -2.289 314 HZ3 TRP 40 HZ3 TRP 40 17.888 4.403 -3.205 315 HH2 TRP 40 HH2 TRP 40 19.043 5.926 -1.717 316 H ALA 41 HN ALA 41 22.475 1.155 -8.341 317 HA ALA 41 HA ALA 41 20.784 0.715 -10.613 318 1HB ALA 41 HB3 ALA 41 22.576 -0.760 -11.425 319 2HB ALA 41 HB2 ALA 41 23.243 0.757 -10.821 320 3HB ALA 41 HB1 ALA 41 23.341 -0.704 -9.838 321 H ALA 42 HN ALA 42 21.681 -1.147 -7.838 322 HA ALA 42 HA ALA 42 20.463 -3.570 -8.558 323 1HB ALA 42 HB2 ALA 42 20.945 -2.422 -5.818 324 2HB ALA 42 HB1 ALA 42 20.615 -4.125 -6.176 325 3HB ALA 42 HB3 ALA 42 22.094 -3.353 -6.755 326 H TYR 43 HN TYR 43 19.171 -0.734 -6.869 327 HA TYR 43 HA TYR 43 16.552 -2.058 -6.828 328 1HB TYR 43 HB2 TYR 43 17.642 0.187 -5.132 329 2HB TYR 43 HB1 TYR 43 15.972 -0.335 -5.109 330 HD1 TYR 43 HD1 TYR 43 15.282 -2.274 -3.953 331 HD2 TYR 43 HD2 TYR 43 19.427 -1.435 -4.331 332 HE1 TYR 43 HE1 TYR 43 15.774 -4.048 -2.340 333 HE2 TYR 43 HE2 TYR 43 19.934 -3.215 -2.709 334 HH TYR 43 HH TYR 43 18.921 -4.487 -1.006 335 H ALA 44 HN ALA 44 18.011 -0.392 -8.988 336 HA ALA 44 HA ALA 44 16.747 1.912 -9.495 337 1HB ALA 44 HB2 ALA 44 17.506 -0.171 -11.522 338 2HB ALA 44 HB3 ALA 44 18.577 1.040 -10.817 339 3HB ALA 44 HB1 ALA 44 17.243 1.541 -11.856 340 H GLY 45 HN GLY 45 15.367 -1.264 -9.798 341 1HA GLY 45 HA1 GLY 45 13.374 -1.983 -10.769 342 2HA GLY 45 HA2 GLY 45 13.138 -0.366 -11.410 343 H TRP 46 HN TRP 46 13.756 -0.509 -8.031 344 HA TRP 46 HA TRP 46 11.026 -0.671 -7.202 345 1HB TRP 46 HB2 TRP 46 13.529 0.194 -5.726 346 2HB TRP 46 HB1 TRP 46 11.976 -0.210 -5.012 347 HD1 TRP 46 HD1 TRP 46 14.579 -2.060 -7.231 348 HE1 TRP 46 HE1 TRP 46 14.794 -4.458 -6.348 349 HE3 TRP 46 HE3 TRP 46 11.217 -1.804 -3.416 350 HZ2 TRP 46 HZ2 TRP 46 13.678 -6.027 -4.332 351 HZ3 TRP 46 HZ3 TRP 46 10.843 -3.809 -2.062 352 HH2 TRP 46 HH2 TRP 46 12.052 -5.878 -2.521 353 H THR 47 HN THR 47 9.946 1.200 -6.127 354 HA THR 47 HA THR 47 10.558 3.688 -7.409 355 HB THR 47 HB THR 47 8.411 2.892 -5.457 356 HG1 THR 47 HG1 THR 47 8.607 2.703 -8.256 357 1HG2 THR 47 3HG2 THR 47 8.740 5.288 -5.654 358 2HG2 THR 47 2HG2 THR 47 8.592 5.180 -7.413 359 3HG2 THR 47 1HG2 THR 47 7.197 4.818 -6.381 360 H LEU 48 HN LEU 48 11.992 5.010 -6.412 361 HA LEU 48 HA LEU 48 12.725 4.723 -3.662 362 1HB LEU 48 HB2 LEU 48 14.287 5.389 -5.540 363 2HB LEU 48 HB1 LEU 48 13.435 6.901 -5.663 364 HG LEU 48 HG LEU 48 15.701 6.949 -4.521 365 1HD1 LEU 48 1HD1 LEU 48 14.157 8.806 -4.255 366 2HD1 LEU 48 3HD1 LEU 48 13.448 8.013 -2.835 367 3HD1 LEU 48 2HD1 LEU 48 15.147 8.515 -2.832 368 1HD2 LEU 48 1HD2 LEU 48 15.520 4.917 -3.204 369 2HD2 LEU 48 3HD2 LEU 48 15.806 6.322 -2.179 370 3HD2 LEU 48 2HD2 LEU 48 14.194 5.628 -2.284 371 H VAL 49 HN VAL 49 11.432 5.408 -2.113 372 HA VAL 49 HA VAL 49 9.595 7.579 -2.682 373 HB VAL 49 HB VAL 49 9.701 5.700 -0.284 374 1HG1 VAL 49 1HG1 VAL 49 7.638 7.784 -0.988 375 2HG1 VAL 49 3HG1 VAL 49 7.519 6.607 0.322 376 3HG1 VAL 49 2HG1 VAL 49 8.767 7.853 0.366 377 1HG2 VAL 49 1HG2 VAL 49 9.064 4.607 -2.339 378 2HG2 VAL 49 3HG2 VAL 49 7.687 4.732 -1.245 379 3HG2 VAL 49 2HG2 VAL 49 7.823 5.828 -2.625 380 H GLU 50 HN GLU 50 12.120 6.744 -0.287 381 HA GLU 50 HA GLU 50 12.944 9.476 -0.331 382 1HB GLU 50 HB2 GLU 50 12.854 9.842 2.107 383 2HB GLU 50 HB1 GLU 50 11.218 9.714 1.434 384 1HG GLU 50 HG2 GLU 50 11.174 7.444 2.282 385 2HG GLU 50 HG1 GLU 50 12.791 7.648 2.955 386 H GLN 51 HN GLN 51 14.981 9.728 0.598 387 HA GLN 51 HA GLN 51 16.191 7.393 1.794 388 1HB GLN 51 HB2 GLN 51 18.191 7.609 0.436 389 2HB GLN 51 HB1 GLN 51 16.756 7.230 -0.525 390 1HG GLN 51 HG2 GLN 51 16.640 9.439 -1.348 391 2HG GLN 51 HG1 GLN 51 17.905 9.984 -0.243 392 1HE2 GLN 51 1HE2 GLN 51 17.150 8.128 -2.989 393 2HE2 GLN 51 2HE2 GLN 51 18.751 7.937 -3.600 394 H LYS 52 HN LYS 52 17.827 7.810 3.117 395 HA LYS 52 HA LYS 52 18.811 10.487 3.448 396 1HB LYS 52 HB2 LYS 52 18.480 10.159 5.964 397 2HB LYS 52 HB1 LYS 52 17.049 10.614 5.034 398 1HG LYS 52 HG2 LYS 52 16.609 8.133 4.937 399 2HG LYS 52 HG1 LYS 52 17.746 7.951 6.281 400 1HD LYS 52 HD2 LYS 52 15.645 8.146 7.301 401 2HD LYS 52 HD1 LYS 52 16.282 9.800 7.374 402 1HE LYS 52 HE2 LYS 52 15.100 10.357 5.333 403 2HE LYS 52 HE1 LYS 52 14.515 8.702 5.230 404 1HZ LYS 52 HZ2 LYS 52 13.361 9.107 7.373 405 2HZ LYS 52 HZ1 LYS 52 13.765 10.727 7.280 406 3HZ LYS 52 HZ3 LYS 52 12.800 10.028 6.072 407 H LYS 53 HN LYS 53 20.624 10.212 5.311 408 HA LYS 53 HA LYS 53 22.272 8.337 3.959 409 1HB LYS 53 HB2 LYS 53 23.079 10.574 4.666 410 2HB LYS 53 HB1 LYS 53 23.031 10.017 6.333 411 1HG LYS 53 HG2 LYS 53 25.282 9.926 5.377 412 2HG LYS 53 HG1 LYS 53 24.700 8.327 5.854 413 1HD LYS 53 HD2 LYS 53 24.158 7.780 3.571 414 2HD LYS 53 HD1 LYS 53 24.543 9.419 3.040 415 1HE LYS 53 HE2 LYS 53 26.460 7.430 4.228 416 2HE LYS 53 HE1 LYS 53 26.310 7.808 2.508 417 1HZ LYS 53 HZ3 LYS 53 26.773 10.171 3.227 418 2HZ LYS 53 HZ2 LYS 53 27.338 9.511 4.685 419 3HZ LYS 53 HZ1 LYS 53 28.059 9.087 3.221 420 H GLY 54 HN GLY 54 21.890 6.303 4.354 421 1HA GLY 54 HA1 GLY 54 22.155 5.411 7.147 422 2HA GLY 54 HA2 GLY 54 22.793 4.522 5.769 423 H TYR 55 HN TYR 55 19.672 6.005 5.268 424 HA TYR 55 HA TYR 55 18.547 3.366 5.340 425 1HB TYR 55 HB2 TYR 55 17.861 4.158 7.435 426 2HB TYR 55 HB1 TYR 55 17.681 5.803 6.864 427 HD1 TYR 55 HD1 TYR 55 15.831 6.438 5.641 428 HD2 TYR 55 HD2 TYR 55 16.039 2.559 7.201 429 HE1 TYR 55 HE1 TYR 55 13.381 6.221 5.294 430 HE2 TYR 55 HE2 TYR 55 13.606 2.253 6.886 431 HH TYR 55 HH TYR 55 11.640 3.511 6.595 432 H VAL 56 HN VAL 56 17.285 3.026 3.646 433 HA VAL 56 HA VAL 56 16.449 5.298 2.018 434 HB VAL 56 HB VAL 56 17.795 2.765 0.978 435 1HG1 VAL 56 2HG1 VAL 56 16.514 5.025 -0.536 436 2HG1 VAL 56 1HG1 VAL 56 17.450 3.712 -1.253 437 3HG1 VAL 56 3HG1 VAL 56 15.921 3.366 -0.446 438 1HG2 VAL 56 1HG2 VAL 56 19.340 4.539 1.767 439 2HG2 VAL 56 3HG2 VAL 56 19.445 4.260 0.028 440 3HG2 VAL 56 2HG2 VAL 56 18.570 5.657 0.626 441 H LEU 57 HN LEU 57 14.401 5.087 1.188 442 HA LEU 57 HA LEU 57 13.010 2.633 1.887 443 1HB LEU 57 HB2 LEU 57 12.125 4.229 3.342 444 2HB LEU 57 HB1 LEU 57 12.287 5.503 2.172 445 HG LEU 57 HG LEU 57 10.340 4.831 1.032 446 1HD1 LEU 57 2HD1 LEU 57 10.515 2.474 1.165 447 2HD1 LEU 57 1HD1 LEU 57 10.026 2.495 2.880 448 3HD1 LEU 57 3HD1 LEU 57 8.924 3.076 1.606 449 1HD2 LEU 57 3HD2 LEU 57 9.975 6.241 2.960 450 2HD2 LEU 57 2HD2 LEU 57 8.625 5.146 2.715 451 3HD2 LEU 57 1HD2 LEU 57 9.812 4.812 3.976 452 H PHE 58 HN PHE 58 12.360 1.488 0.314 453 HA PHE 58 HA PHE 58 11.702 2.640 -2.315 454 1HB PHE 58 HB2 PHE 58 13.317 0.245 -1.568 455 2HB PHE 58 HB1 PHE 58 12.360 0.209 -3.036 456 HD1 PHE 58 HD1 PHE 58 12.753 2.062 -4.694 457 HD2 PHE 58 HD2 PHE 58 15.446 1.124 -1.579 458 HE1 PHE 58 HE1 PHE 58 14.541 3.143 -5.947 459 HE2 PHE 58 HE2 PHE 58 17.265 2.193 -2.835 460 HZ PHE 58 HZ PHE 58 16.818 3.210 -5.027 461 H ARG 59 HN ARG 59 10.009 1.666 -3.385 462 HA ARG 59 HA ARG 59 8.672 -0.522 -1.986 463 1HB ARG 59 HB2 ARG 59 6.465 0.313 -2.701 464 2HB ARG 59 HB1 ARG 59 7.291 1.467 -1.661 465 1HG ARG 59 HG2 ARG 59 7.876 2.794 -3.591 466 2HG ARG 59 HG1 ARG 59 7.061 1.612 -4.642 467 1HD ARG 59 HD2 ARG 59 5.764 3.617 -4.127 468 2HD ARG 59 HD1 ARG 59 4.954 2.108 -3.687 469 HE ARG 59 HE ARG 59 6.271 2.887 -1.403 470 1HH1 ARG 59 1HH1 ARG 59 3.870 4.543 -3.427 471 2HH1 ARG 59 2HH1 ARG 59 3.125 5.311 -2.101 472 1HH2 ARG 59 1HH2 ARG 59 5.328 3.857 0.281 473 2HH2 ARG 59 2HH2 ARG 59 3.970 4.902 0.130 474 H LYS 60 HN LYS 60 7.836 -2.083 -3.230 475 HA LYS 60 HA LYS 60 8.096 -1.882 -6.133 476 1HB LYS 60 HB2 LYS 60 10.155 -2.912 -5.490 477 2HB LYS 60 HB1 LYS 60 9.326 -4.025 -4.394 478 1HG LYS 60 HG2 LYS 60 9.784 -5.355 -6.225 479 2HG LYS 60 HG1 LYS 60 8.153 -4.784 -6.580 480 1HD LYS 60 HD2 LYS 60 9.362 -4.537 -8.616 481 2HD LYS 60 HD1 LYS 60 9.271 -2.921 -7.902 482 1HE LYS 60 HE2 LYS 60 11.452 -2.931 -7.195 483 2HE LYS 60 HE1 LYS 60 11.656 -4.648 -7.385 484 1HZ LYS 60 HZ3 LYS 60 11.234 -2.721 -9.610 485 2HZ LYS 60 HZ2 LYS 60 12.684 -3.516 -9.213 486 3HZ LYS 60 HZ1 LYS 60 11.377 -4.392 -9.774 487 H GLN 61 HN GLN 61 6.266 -2.595 -6.961 488 HA GLN 61 HA GLN 61 4.801 -4.548 -5.406 489 1HB GLN 61 HB2 GLN 61 2.691 -3.482 -6.209 490 2HB GLN 61 HB1 GLN 61 3.695 -2.457 -5.189 491 1HG GLN 61 HG2 GLN 61 4.617 -1.555 -7.394 492 2HG GLN 61 HG1 GLN 61 3.139 -2.268 -8.081 493 1HE2 GLN 61 1HE2 GLN 61 4.526 0.192 -6.210 494 2HE2 GLN 61 2HE2 GLN 61 3.127 1.175 -5.972 495 H MET 62 HN MET 62 5.354 -6.287 -6.313 496 HA MET 62 HA MET 62 5.101 -6.618 -9.216 497 1HB MET 62 HB2 MET 62 6.755 -8.590 -8.714 498 2HB MET 62 HB1 MET 62 7.360 -6.957 -8.904 499 1HG MET 62 HG2 MET 62 8.396 -8.199 -7.019 500 2HG MET 62 HG1 MET 62 7.626 -6.699 -6.537 501 1HE MET 62 HE3 MET 62 7.679 -7.277 -4.062 502 2HE MET 62 HE2 MET 62 7.073 -8.755 -3.332 503 3HE MET 62 HE1 MET 62 8.517 -8.795 -4.362 504 H ASP 63 HN ASP 63 3.198 -6.970 -6.945 505 HA ASP 63 HA ASP 63 2.205 -9.568 -7.735 506 1HB ASP 63 HB2 ASP 63 3.606 -9.632 -5.469 507 2HB ASP 63 HB1 ASP 63 2.201 -8.817 -4.806 508 H ASP 64 HN ASP 64 -0.109 -9.578 -6.624 509 HA ASP 64 HA ASP 64 -1.050 -6.820 -6.740 510 1HB ASP 64 HB2 ASP 64 -3.167 -7.585 -7.881 511 2HB ASP 64 HB1 ASP 64 -1.717 -7.731 -8.854 512 H ILE 65 HN ILE 65 -3.209 -9.513 -6.139 513 HA ILE 65 HA ILE 65 -3.370 -8.522 -3.399 514 HB ILE 65 HB ILE 65 -5.455 -9.822 -3.187 515 1HG1 ILE 65 2HG1 ILE 65 -5.031 -10.475 -6.096 516 2HG1 ILE 65 1HG1 ILE 65 -5.007 -11.613 -4.756 517 1HG2 ILE 65 2HG2 ILE 65 -5.426 -7.890 -5.481 518 2HG2 ILE 65 1HG2 ILE 65 -6.890 -8.496 -4.703 519 3HG2 ILE 65 3HG2 ILE 65 -5.727 -7.567 -3.766 520 1HD1 ILE 65 3HD1 ILE 65 -7.417 -10.054 -5.689 521 2HD1 ILE 65 2HD1 ILE 65 -7.108 -11.754 -6.015 522 3HD1 ILE 65 1HD1 ILE 65 -7.397 -11.210 -4.361 523 H SER 66 HN SER 66 -3.898 -10.526 -1.854 524 HA SER 66 HA SER 66 -1.623 -12.345 -2.296 525 1HB SER 66 HB2 SER 66 -1.621 -12.464 0.182 526 2HB SER 66 HB1 SER 66 -1.419 -10.806 -0.394 527 HG SER 66 HG SER 66 -2.962 -10.681 1.135 528 HA PRO 67 HA PRO 67 -4.384 -15.874 -1.947 529 1HB PRO 67 HB2 PRO 67 -3.179 -17.247 0.183 530 2HB PRO 67 HB1 PRO 67 -2.753 -17.436 -1.518 531 1HG PRO 67 HG2 PRO 67 -1.422 -15.804 0.594 532 2HG PRO 67 HG1 PRO 67 -0.703 -16.697 -0.758 533 1HD PRO 67 HD2 PRO 67 -0.933 -14.047 -0.810 534 2HD PRO 67 HD1 PRO 67 -1.140 -15.019 -2.271 535 H LEU 68 HN LEU 68 -3.479 -13.952 0.824 536 HA LEU 68 HA LEU 68 -5.473 -14.908 2.604 537 1HB LEU 68 HB2 LEU 68 -3.247 -13.512 3.010 538 2HB LEU 68 HB1 LEU 68 -4.314 -12.146 2.807 539 HG LEU 68 HG LEU 68 -3.945 -12.617 5.174 540 1HD1 LEU 68 3HD1 LEU 68 -6.162 -11.742 4.554 541 2HD1 LEU 68 2HD1 LEU 68 -6.738 -13.412 4.436 542 3HD1 LEU 68 1HD1 LEU 68 -6.219 -12.781 5.989 543 1HD2 LEU 68 2HD2 LEU 68 -3.450 -14.992 4.964 544 2HD2 LEU 68 1HD2 LEU 68 -4.669 -14.687 6.208 545 3HD2 LEU 68 3HD2 LEU 68 -5.151 -15.317 4.633 546 H SER 69 HN SER 69 -5.300 -12.315 0.178 547 HA SER 69 HA SER 69 -7.656 -10.950 0.731 548 1HB SER 69 HB2 SER 69 -6.608 -11.626 -2.022 549 2HB SER 69 HB1 SER 69 -7.584 -10.231 -1.566 550 HG SER 69 HG SER 69 -5.683 -9.894 -0.041 551 H LYS 70 HN LYS 70 -7.082 -13.988 -0.869 552 HA LYS 70 HA LYS 70 -9.730 -14.258 -1.891 553 1HB LYS 70 HB2 LYS 70 -7.484 -16.257 -1.719 554 2HB LYS 70 HB1 LYS 70 -8.886 -16.328 -2.797 555 1HG LYS 70 HG2 LYS 70 -8.201 -14.353 -3.937 556 2HG LYS 70 HG1 LYS 70 -6.915 -14.069 -2.781 557 1HD LYS 70 HD2 LYS 70 -5.894 -16.188 -3.539 558 2HD LYS 70 HD1 LYS 70 -7.103 -16.246 -4.837 559 1HE LYS 70 HE2 LYS 70 -6.419 -13.969 -5.518 560 2HE LYS 70 HE1 LYS 70 -5.169 -14.000 -4.300 561 1HZ LYS 70 HZ1 LYS 70 -4.163 -15.903 -5.439 562 2HZ LYS 70 HZ3 LYS 70 -5.269 -15.745 -6.717 563 3HZ LYS 70 HZ2 LYS 70 -4.176 -14.507 -6.345 564 H VAL 71 HN VAL 71 -8.248 -14.901 1.099 565 HA VAL 71 HA VAL 71 -10.273 -16.919 1.776 566 HB VAL 71 HB VAL 71 -9.105 -17.464 3.768 567 1HG1 VAL 71 3HG1 VAL 71 -7.968 -18.247 1.807 568 2HG1 VAL 71 2HG1 VAL 71 -7.048 -16.732 1.794 569 3HG1 VAL 71 1HG1 VAL 71 -6.813 -17.883 3.114 570 1HG2 VAL 71 1HG2 VAL 71 -8.735 -15.239 4.682 571 2HG2 VAL 71 3HG2 VAL 71 -7.248 -16.197 4.736 572 3HG2 VAL 71 2HG2 VAL 71 -7.468 -14.971 3.484 573 H ASN 72 HN ASN 72 -9.339 -13.713 2.439 574 HA ASN 72 HA ASN 72 -11.623 -13.315 4.240 575 1HB ASN 72 HB2 ASN 72 -9.548 -12.393 5.073 576 2HB ASN 72 HB1 ASN 72 -9.286 -11.507 3.580 577 1HD2 ASN 72 1HD2 ASN 72 -9.166 -9.544 4.535 578 2HD2 ASN 72 2HD2 ASN 72 -10.504 -8.723 5.241 579 H GLY 73 HN GLY 73 -10.246 -11.043 1.927 580 1HA GLY 73 HA1 GLY 73 -12.299 -11.072 0.030 581 2HA GLY 73 HA2 GLY 73 -11.176 -9.753 0.285 582 H TYR 74 HN TYR 74 -11.739 -8.068 1.857 583 HA TYR 74 HA TYR 74 -14.455 -7.286 1.591 584 1HB TYR 74 HB2 TYR 74 -13.426 -8.111 4.306 585 2HB TYR 74 HB1 TYR 74 -14.504 -6.738 4.161 586 HD1 TYR 74 HD1 TYR 74 -14.615 -9.804 5.323 587 HD2 TYR 74 HD2 TYR 74 -16.430 -7.618 2.178 588 HE1 TYR 74 HE1 TYR 74 -16.557 -11.293 5.415 589 HE2 TYR 74 HE2 TYR 74 -18.354 -9.076 2.227 590 HH TYR 74 HH TYR 74 -18.877 -11.414 2.970 591 H ILE 75 HN ILE 75 -13.947 -5.515 0.731 592 HA ILE 75 HA ILE 75 -12.034 -3.691 1.869 593 HB ILE 75 HB ILE 75 -14.148 -3.497 -0.253 594 1HG1 ILE 75 2HG1 ILE 75 -11.180 -3.270 -0.499 595 2HG1 ILE 75 1HG1 ILE 75 -12.051 -4.795 -0.586 596 1HG2 ILE 75 2HG2 ILE 75 -12.170 -1.326 0.572 597 2HG2 ILE 75 1HG2 ILE 75 -13.223 -1.242 -0.842 598 3HG2 ILE 75 3HG2 ILE 75 -13.919 -1.250 0.778 599 1HD1 ILE 75 2HD1 ILE 75 -13.270 -3.909 -2.561 600 2HD1 ILE 75 1HD1 ILE 75 -12.351 -2.415 -2.430 601 3HD1 ILE 75 3HD1 ILE 75 -11.526 -3.925 -2.820 602 H GLY 76 HN GLY 76 -12.552 -2.119 3.340 603 1HA GLY 76 HA1 GLY 76 -13.971 -2.342 5.401 604 2HA GLY 76 HA2 GLY 76 -15.315 -2.139 4.286 605 H VAL 77 HN VAL 77 -16.121 -0.254 4.359 606 HA VAL 77 HA VAL 77 -14.289 1.975 4.676 607 HB VAL 77 HB VAL 77 -16.862 1.870 3.114 608 1HG1 VAL 77 2HG1 VAL 77 -14.973 4.185 3.517 609 2HG1 VAL 77 1HG1 VAL 77 -16.330 4.159 2.389 610 3HG1 VAL 77 3HG1 VAL 77 -16.623 4.068 4.127 611 1HG2 VAL 77 2HG2 VAL 77 -13.993 2.079 2.297 612 2HG2 VAL 77 1HG2 VAL 77 -15.088 0.764 1.948 613 3HG2 VAL 77 3HG2 VAL 77 -15.325 2.340 1.175 614 H SER 78 HN SER 78 -14.723 3.480 6.121 615 HA SER 78 HA SER 78 -16.871 2.861 8.014 616 1HB SER 78 HB2 SER 78 -14.391 4.538 8.393 617 2HB SER 78 HB1 SER 78 -15.489 3.971 9.646 618 HG SER 78 HG SER 78 -14.739 1.870 8.264 619 H ASP 79 HN ASP 79 -17.574 5.066 9.221 620 HA ASP 79 HA ASP 79 -19.261 6.409 7.589 621 1HB ASP 79 HB2 ASP 79 -18.140 7.049 10.277 622 2HB ASP 79 HB1 ASP 79 -19.288 8.114 9.493 623 H ASN 80 HN ASN 80 -16.015 7.448 8.450 624 HA ASN 80 HA ASN 80 -16.378 9.976 7.070 625 1HB ASN 80 HB2 ASN 80 -14.037 8.802 8.564 626 2HB ASN 80 HB1 ASN 80 -13.895 10.274 7.618 627 1HD2 ASN 80 1HD2 ASN 80 -15.259 8.823 10.441 628 2HD2 ASN 80 2HD2 ASN 80 -15.757 10.277 11.222 629 H GLY 81 HN GLY 81 -16.363 7.252 5.759 630 1HA GLY 81 HA1 GLY 81 -15.264 8.133 3.316 631 2HA GLY 81 HA2 GLY 81 -15.984 6.562 3.648 632 H VAL 82 HN VAL 82 -14.370 5.932 5.754 633 HA VAL 82 HA VAL 82 -11.626 6.082 4.984 634 HB VAL 82 HB VAL 82 -12.854 4.174 6.993 635 1HG1 VAL 82 1HG1 VAL 82 -10.106 5.371 6.790 636 2HG1 VAL 82 3HG1 VAL 82 -10.676 4.320 8.089 637 3HG1 VAL 82 2HG1 VAL 82 -10.551 3.698 6.441 638 1HG2 VAL 82 1HG2 VAL 82 -13.604 6.448 7.459 639 2HG2 VAL 82 3HG2 VAL 82 -12.481 5.891 8.701 640 3HG2 VAL 82 2HG2 VAL 82 -11.938 7.010 7.447 641 H ILE 83 HN ILE 83 -10.958 5.097 3.327 642 HA ILE 83 HA ILE 83 -12.307 2.898 2.052 643 HB ILE 83 HB ILE 83 -9.975 4.515 0.925 644 1HG1 ILE 83 2HG1 ILE 83 -11.898 5.945 1.332 645 2HG1 ILE 83 1HG1 ILE 83 -11.754 5.648 -0.397 646 1HG2 ILE 83 3HG2 ILE 83 -10.265 2.288 -0.184 647 2HG2 ILE 83 2HG2 ILE 83 -11.944 2.690 -0.503 648 3HG2 ILE 83 1HG2 ILE 83 -10.662 3.625 -1.276 649 1HD1 ILE 83 3HD1 ILE 83 -13.618 4.216 1.457 650 2HD1 ILE 83 2HD1 ILE 83 -14.071 5.554 0.388 651 3HD1 ILE 83 1HD1 ILE 83 -13.524 4.014 -0.292 652 H SER 84 HN SER 84 -11.408 1.800 4.133 653 HA SER 84 HA SER 84 -8.650 0.875 3.628 654 1HB SER 84 HB2 SER 84 -10.377 0.528 6.057 655 2HB SER 84 HB1 SER 84 -8.634 0.258 5.925 656 HG SER 84 HG SER 84 -9.697 2.650 5.141 657 H THR 85 HN THR 85 -8.308 -1.455 4.244 658 HA THR 85 HA THR 85 -10.633 -3.034 3.520 659 HB THR 85 HB THR 85 -9.002 -4.844 2.930 660 HG1 THR 85 HG1 THR 85 -6.847 -4.325 2.755 661 1HG2 THR 85 3HG2 THR 85 -8.586 -2.219 1.472 662 2HG2 THR 85 2HG2 THR 85 -8.159 -3.814 0.839 663 3HG2 THR 85 1HG2 THR 85 -9.846 -3.404 1.154 664 H PHE 86 HN PHE 86 -11.113 -4.826 4.867 665 HA PHE 86 HA PHE 86 -9.752 -4.644 7.420 666 1HB PHE 86 HB2 PHE 86 -12.701 -4.605 6.938 667 2HB PHE 86 HB1 PHE 86 -12.057 -5.229 8.447 668 HD1 PHE 86 HD1 PHE 86 -12.048 -2.264 6.268 669 HD2 PHE 86 HD2 PHE 86 -11.513 -3.816 10.151 670 HE1 PHE 86 HE1 PHE 86 -12.018 0.054 7.170 671 HE2 PHE 86 HE2 PHE 86 -11.458 -1.527 11.088 672 HZ PHE 86 HZ PHE 86 -11.710 0.412 9.586 673 H HIS 87 HN HIS 87 -9.830 -6.526 8.708 674 HA HIS 87 HA HIS 87 -9.971 -8.940 7.104 675 1HB HIS 87 HB2 HIS 87 -8.054 -8.379 8.738 676 2HB HIS 87 HB1 HIS 87 -9.233 -8.690 10.011 677 HD1 HIS 87 HD1 HIS 87 -7.932 -10.758 10.941 678 HD2 HIS 87 HD2 HIS 87 -8.994 -11.043 6.921 679 HE1 HIS 87 HE1 HIS 87 -7.429 -13.114 10.237 680 H GLY 88 HN GLY 88 -12.009 -9.557 6.856 681 1HA GLY 88 HA1 GLY 88 -13.623 -10.037 9.224 682 2HA GLY 88 HA2 GLY 88 -13.920 -10.671 7.605 683 H ARG 89 HN ARG 89 -15.962 -9.585 8.966 684 HA ARG 89 HA ARG 89 -16.970 -7.550 7.318 685 1HB ARG 89 HB2 ARG 89 -17.873 -8.528 10.030 686 2HB ARG 89 HB1 ARG 89 -18.745 -7.373 9.028 687 1HG ARG 89 HG2 ARG 89 -18.021 -10.034 7.977 688 2HG ARG 89 HG1 ARG 89 -19.480 -9.758 8.943 689 1HD ARG 89 HD2 ARG 89 -18.756 -8.197 6.472 690 2HD ARG 89 HD1 ARG 89 -19.849 -9.572 6.512 691 HE ARG 89 HE ARG 89 -20.303 -7.027 7.900 692 1HH1 ARG 89 1HH1 ARG 89 -21.534 -9.980 6.356 693 2HH1 ARG 89 2HH1 ARG 89 -23.158 -9.518 6.378 694 1HH2 ARG 89 1HH2 ARG 89 -22.608 -6.364 7.958 695 2HH2 ARG 89 2HH2 ARG 89 -23.774 -7.435 7.323 696 HA PRO 90 HA PRO 90 -14.697 -4.238 9.158 697 1HB PRO 90 HB2 PRO 90 -16.006 -2.223 7.778 698 2HB PRO 90 HB1 PRO 90 -14.576 -3.098 7.236 699 1HG PRO 90 HG2 PRO 90 -17.384 -3.380 6.393 700 2HG PRO 90 HG1 PRO 90 -15.900 -3.801 5.527 701 1HD PRO 90 HD2 PRO 90 -17.652 -5.570 6.758 702 2HD PRO 90 HD1 PRO 90 -16.001 -5.974 6.278 703 H GLU 91 HN GLU 91 -15.307 -4.215 11.154 704 HA GLU 91 HA GLU 91 -17.200 -2.154 11.933 705 1HB GLU 91 HB2 GLU 91 -18.124 -3.627 13.728 706 2HB GLU 91 HB1 GLU 91 -18.399 -4.307 12.147 707 1HG GLU 91 HG2 GLU 91 -16.536 -5.831 12.452 708 2HG GLU 91 HG1 GLU 91 -16.247 -5.158 14.055 709 HA PRO 92 HA PRO 92 -13.766 -1.172 14.581 710 1HB PRO 92 HB2 PRO 92 -14.727 -0.890 17.120 711 2HB PRO 92 HB1 PRO 92 -14.857 0.370 15.873 712 1HG PRO 92 HG2 PRO 92 -16.903 -1.437 16.982 713 2HG PRO 92 HG1 PRO 92 -17.109 0.127 16.183 714 1HD PRO 92 HD2 PRO 92 -17.559 -2.419 15.093 715 2HD PRO 92 HD1 PRO 92 -17.495 -0.894 14.168 716 H ALA 93 HN ALA 93 -15.525 -3.890 15.274 717 HA ALA 93 HA ALA 93 -13.606 -4.930 17.181 718 1HB ALA 93 HB3 ALA 93 -15.981 -5.272 17.593 719 2HB ALA 93 HB1 ALA 93 -15.142 -6.813 17.396 720 3HB ALA 93 HB2 ALA 93 -16.123 -6.166 16.079 721 H SER 94 HN SER 94 -13.750 -4.637 13.878 722 HA SER 94 HA SER 94 -12.462 -7.226 13.489 723 1HB SER 94 HB2 SER 94 -12.686 -6.731 11.083 724 2HB SER 94 HB1 SER 94 -14.249 -6.847 11.897 725 HG SER 94 HG SER 94 -13.243 -4.307 11.867 726 H GLU 95 HN GLU 95 -10.486 -7.264 12.245 727 HA GLU 95 HA GLU 95 -8.646 -5.362 13.272 728 1HB GLU 95 HB2 GLU 95 -8.233 -7.512 11.213 729 2HB GLU 95 HB1 GLU 95 -6.974 -6.610 12.025 730 1HG GLU 95 HG2 GLU 95 -7.630 -7.551 14.150 731 2HG GLU 95 HG1 GLU 95 -8.939 -8.436 13.370 732 HA PRO 96 HA PRO 96 -8.809 -2.710 9.645 733 1HB PRO 96 HB2 PRO 96 -7.339 -0.703 10.747 734 2HB PRO 96 HB1 PRO 96 -9.077 -0.868 11.022 735 1HG PRO 96 HG2 PRO 96 -6.803 -1.499 12.808 736 2HG PRO 96 HG1 PRO 96 -8.450 -0.975 13.200 737 1HD PRO 96 HD2 PRO 96 -7.462 -3.579 13.374 738 2HD PRO 96 HD1 PRO 96 -9.175 -3.120 13.377 739 H ILE 97 HN ILE 97 -7.397 -2.800 8.073 740 HA ILE 97 HA ILE 97 -4.797 -3.967 8.652 741 HB ILE 97 HB ILE 97 -6.173 -3.562 5.972 742 1HG1 ILE 97 2HG1 ILE 97 -5.994 -6.081 7.650 743 2HG1 ILE 97 1HG1 ILE 97 -7.388 -5.011 7.643 744 1HG2 ILE 97 1HG2 ILE 97 -3.717 -3.836 5.824 745 2HG2 ILE 97 3HG2 ILE 97 -3.839 -5.324 6.766 746 3HG2 ILE 97 2HG2 ILE 97 -4.567 -5.231 5.165 747 1HD1 ILE 97 1HD1 ILE 97 -6.325 -6.469 5.228 748 2HD1 ILE 97 3HD1 ILE 97 -7.696 -6.965 6.233 749 3HD1 ILE 97 2HD1 ILE 97 -7.790 -5.461 5.341 750 H GLN 98 HN GLN 98 -6.122 -1.204 6.796 751 HA GLN 98 HA GLN 98 -3.931 0.409 7.529 752 1HB GLN 98 HB2 GLN 98 -2.928 0.832 5.402 753 2HB GLN 98 HB1 GLN 98 -3.063 -0.899 5.525 754 1HG GLN 98 HG2 GLN 98 -4.546 0.980 3.735 755 2HG GLN 98 HG1 GLN 98 -3.604 -0.450 3.334 756 1HE2 GLN 98 1HE2 GLN 98 -4.500 -2.285 4.407 757 2HE2 GLN 98 2HE2 GLN 98 -6.200 -2.666 4.136 758 H SER 99 HN SER 99 -4.379 2.576 5.811 759 HA SER 99 HA SER 99 -7.141 2.582 5.185 760 1HB SER 99 HB2 SER 99 -5.885 4.661 6.995 761 2HB SER 99 HB1 SER 99 -7.422 4.912 6.166 762 HG SER 99 HG SER 99 -7.927 2.766 7.158 763 H PHE 100 HN PHE 100 -7.266 3.218 3.094 764 HA PHE 100 HA PHE 100 -5.015 4.576 1.908 765 1HB PHE 100 HB2 PHE 100 -7.591 3.616 0.636 766 2HB PHE 100 HB1 PHE 100 -6.234 4.319 -0.231 767 HD1 PHE 100 HD1 PHE 100 -3.962 3.129 0.017 768 HD2 PHE 100 HD2 PHE 100 -7.703 1.327 0.932 769 HE1 PHE 100 HE1 PHE 100 -2.955 0.903 -0.255 770 HE2 PHE 100 HE2 PHE 100 -6.703 -0.902 0.670 771 HZ PHE 100 HZ PHE 100 -4.326 -1.114 0.070 772 H PHE 101 HN PHE 101 -8.497 5.255 1.624 773 HA PHE 101 HA PHE 101 -7.872 8.149 1.538 774 1HB PHE 101 HB2 PHE 101 -9.939 6.553 0.026 775 2HB PHE 101 HB1 PHE 101 -10.017 8.293 0.178 776 HD1 PHE 101 HD1 PHE 101 -7.619 5.641 -0.898 777 HD2 PHE 101 HD2 PHE 101 -9.250 9.494 -1.559 778 HE1 PHE 101 HE1 PHE 101 -6.294 5.825 -2.963 779 HE2 PHE 101 HE2 PHE 101 -7.923 9.707 -3.630 780 HZ PHE 101 HZ PHE 101 -6.446 7.868 -4.335 781 H GLN 102 HN GLN 102 -9.715 9.488 2.115 782 HA GLN 102 HA GLN 102 -11.852 8.264 3.622 783 1HB GLN 102 HB2 GLN 102 -10.003 10.399 4.593 784 2HB GLN 102 HB1 GLN 102 -11.711 10.561 4.983 785 1HG GLN 102 HG2 GLN 102 -11.721 8.442 6.054 786 2HG GLN 102 HG1 GLN 102 -10.050 8.117 5.648 787 1HE2 GLN 102 1HE2 GLN 102 -11.377 11.205 6.716 788 2HE2 GLN 102 2HE2 GLN 102 -10.540 11.271 8.215 789 H ILE 103 HN ILE 103 -13.667 8.827 2.871 790 HA ILE 103 HA ILE 103 -13.873 11.183 1.110 791 HB ILE 103 HB ILE 103 -15.072 9.906 -0.623 792 1HG1 ILE 103 2HG1 ILE 103 -14.848 7.497 1.208 793 2HG1 ILE 103 1HG1 ILE 103 -16.318 8.449 1.029 794 1HG2 ILE 103 3HG2 ILE 103 -12.662 9.763 -0.718 795 2HG2 ILE 103 2HG2 ILE 103 -12.683 8.313 0.274 796 3HG2 ILE 103 1HG2 ILE 103 -13.415 8.295 -1.330 797 1HD1 ILE 103 2HD1 ILE 103 -16.352 7.908 -1.335 798 2HD1 ILE 103 1HD1 ILE 103 -14.932 6.882 -1.130 799 3HD1 ILE 103 3HD1 ILE 103 -16.453 6.471 -0.311 800 H ASP 104 HN ASP 104 -16.303 11.703 0.694 801 HA ASP 104 HA ASP 104 -17.555 11.507 3.283 802 1HB ASP 104 HB2 ASP 104 -17.941 13.284 0.954 803 2HB ASP 104 HB1 ASP 104 -19.350 13.002 1.951 804 H LEU 105 HN LEU 105 -18.748 9.859 3.798 805 HA LEU 105 HA LEU 105 -19.975 8.300 1.785 806 1HB LEU 105 HB2 LEU 105 -20.403 8.261 4.756 807 2HB LEU 105 HB1 LEU 105 -21.232 7.200 3.648 808 HG LEU 105 HG LEU 105 -18.394 7.179 4.545 809 1HD1 LEU 105 3HD1 LEU 105 -20.550 5.135 4.177 810 2HD1 LEU 105 2HD1 LEU 105 -18.920 4.768 4.752 811 3HD1 LEU 105 1HD1 LEU 105 -19.991 5.814 5.700 812 1HD2 LEU 105 2HD2 LEU 105 -19.398 5.911 1.986 813 2HD2 LEU 105 1HD2 LEU 105 -18.193 7.194 2.110 814 3HD2 LEU 105 3HD2 LEU 105 -17.840 5.586 2.744 815 H GLU 106 HN GLU 106 -20.932 10.930 3.714 816 HA GLU 106 HA GLU 106 -23.689 10.829 3.268 817 1HB GLU 106 HB2 GLU 106 -23.613 13.295 3.718 818 2HB GLU 106 HB1 GLU 106 -22.827 12.304 4.939 819 1HG GLU 106 HG2 GLU 106 -20.663 12.844 4.078 820 2HG GLU 106 HG1 GLU 106 -21.360 13.700 2.712 821 H ARG 107 HN ARG 107 -21.022 11.758 1.212 822 HA ARG 107 HA ARG 107 -22.761 13.088 -0.682 823 1HB ARG 107 HB2 ARG 107 -20.868 13.948 -1.675 824 2HB ARG 107 HB1 ARG 107 -20.260 13.658 -0.058 825 1HG ARG 107 HG2 ARG 107 -19.223 11.593 -0.766 826 2HG ARG 107 HG1 ARG 107 -19.926 11.839 -2.382 827 1HD ARG 107 HD2 ARG 107 -17.776 13.484 -1.005 828 2HD ARG 107 HD1 ARG 107 -17.632 12.475 -2.418 829 HE ARG 107 HE ARG 107 -19.588 14.246 -2.962 830 1HH1 ARG 107 1HH1 ARG 107 -16.242 14.579 -2.010 831 2HH1 ARG 107 2HH1 ARG 107 -15.854 15.800 -3.143 832 1HH2 ARG 107 1HH2 ARG 107 -19.082 15.971 -4.554 833 2HH2 ARG 107 2HH2 ARG 107 -17.500 16.612 -4.592 834 H LEU 108 HN LEU 108 -21.476 10.016 -0.047 835 HA LEU 108 HA LEU 108 -21.695 8.756 -2.577 836 1HB LEU 108 HB2 LEU 108 -21.624 7.832 0.205 837 2HB LEU 108 HB1 LEU 108 -22.501 6.796 -0.884 838 HG LEU 108 HG LEU 108 -20.315 5.958 -0.678 839 1HD1 LEU 108 2HD1 LEU 108 -21.258 5.767 -2.780 840 2HD1 LEU 108 1HD1 LEU 108 -20.480 7.252 -3.311 841 3HD1 LEU 108 3HD1 LEU 108 -19.496 5.860 -2.835 842 1HD2 LEU 108 2HD2 LEU 108 -19.432 8.708 -1.219 843 2HD2 LEU 108 1HD2 LEU 108 -19.268 7.646 0.204 844 3HD2 LEU 108 3HD2 LEU 108 -18.374 7.249 -1.264 845 H GLU 109 HN GLU 109 -23.258 7.563 -3.480 846 HA GLU 109 HA GLU 109 -25.966 8.133 -2.841 847 1HB GLU 109 HB2 GLU 109 -26.397 6.394 -4.641 848 2HB GLU 109 HB1 GLU 109 -25.442 7.773 -5.158 849 1HG GLU 109 HG2 GLU 109 -23.397 6.405 -4.861 850 2HG GLU 109 HG1 GLU 109 -24.431 5.035 -4.465 851 H SER 110 HN SER 110 -27.472 6.591 -2.024 852 HA SER 110 HA SER 110 -26.897 5.717 0.424 853 1HB SER 110 HB2 SER 110 -28.976 4.483 -1.360 854 2HB SER 110 HB1 SER 110 -28.995 4.600 0.402 855 HG SER 110 HG SER 110 -29.010 6.861 0.188 856 H HIS 111 HN HIS 111 -27.154 3.390 -2.297 857 HA HIS 111 HA HIS 111 -26.355 1.327 -0.471 858 1HB HIS 111 HB2 HIS 111 -27.104 1.109 -3.387 859 2HB HIS 111 HB1 HIS 111 -26.712 -0.260 -2.357 860 HD1 HIS 111 HD1 HIS 111 -29.464 2.123 -3.164 861 HD2 HIS 111 HD2 HIS 111 -28.631 -0.853 -0.386 862 HE1 HIS 111 HE1 HIS 111 -31.658 1.554 -2.063 863 H MET 112 HN MET 112 -24.638 3.278 -2.514 864 HA MET 112 HA MET 112 -22.545 1.428 -3.032 865 1HB MET 112 HB2 MET 112 -22.866 4.356 -3.268 866 2HB MET 112 HB1 MET 112 -21.230 3.727 -3.204 867 1HG MET 112 HG2 MET 112 -23.289 2.710 -5.141 868 2HG MET 112 HG1 MET 112 -22.214 4.061 -5.503 869 1HE MET 112 HE1 MET 112 -19.671 3.926 -5.551 870 2HE MET 112 HE3 MET 112 -19.525 3.138 -3.987 871 3HE MET 112 HE2 MET 112 -18.690 2.474 -5.395 872 H GLN 113 HN GLN 113 -22.917 3.989 -0.605 873 HA GLN 113 HA GLN 113 -20.480 3.313 0.637 874 1HB GLN 113 HB2 GLN 113 -21.333 4.658 2.571 875 2HB GLN 113 HB1 GLN 113 -21.201 5.545 1.054 876 1HG GLN 113 HG2 GLN 113 -23.399 5.877 0.947 877 2HG GLN 113 HG1 GLN 113 -23.649 4.222 1.551 878 1HE2 GLN 113 1HE2 GLN 113 -23.197 7.528 2.507 879 2HE2 GLN 113 2HE2 GLN 113 -23.714 7.337 4.134 880 H LYS 114 HN LYS 114 -23.811 2.321 1.229 881 HA LYS 114 HA LYS 114 -23.225 0.926 3.602 882 1HB LYS 114 HB2 LYS 114 -25.492 0.587 1.664 883 2HB LYS 114 HB1 LYS 114 -25.384 -0.249 3.210 884 1HG LYS 114 HG2 LYS 114 -25.238 1.994 4.302 885 2HG LYS 114 HG1 LYS 114 -25.598 2.701 2.736 886 1HD LYS 114 HD2 LYS 114 -27.329 0.681 4.114 887 2HD LYS 114 HD1 LYS 114 -27.586 2.419 4.222 888 1HE LYS 114 HE2 LYS 114 -27.824 2.463 1.729 889 2HE LYS 114 HE1 LYS 114 -27.700 0.706 1.729 890 1HZ LYS 114 HZ1 LYS 114 -29.779 2.288 3.116 891 2HZ LYS 114 HZ3 LYS 114 -30.012 1.456 1.677 892 3HZ LYS 114 HZ2 LYS 114 -29.698 0.596 3.088 893 H ASN 115 HN ASN 115 -22.890 0.059 0.256 894 HA ASN 115 HA ASN 115 -22.652 -2.738 0.610 895 1HB ASN 115 HB2 ASN 115 -22.955 -1.605 -1.629 896 2HB ASN 115 HB1 ASN 115 -21.321 -0.991 -1.485 897 1HD2 ASN 115 1HD2 ASN 115 -20.983 -1.993 -3.498 898 2HD2 ASN 115 2HD2 ASN 115 -20.610 -3.673 -3.570 899 H LEU 116 HN LEU 116 -20.466 -0.050 0.682 900 HA LEU 116 HA LEU 116 -18.071 -1.503 1.117 901 1HB LEU 116 HB2 LEU 116 -18.692 1.344 1.884 902 2HB LEU 116 HB1 LEU 116 -17.121 0.588 1.613 903 HG LEU 116 HG LEU 116 -19.142 0.895 -0.615 904 1HD1 LEU 116 2HD1 LEU 116 -18.653 3.103 0.287 905 2HD1 LEU 116 1HD1 LEU 116 -16.928 2.805 0.094 906 3HD1 LEU 116 3HD1 LEU 116 -17.981 2.869 -1.318 907 1HD2 LEU 116 3HD2 LEU 116 -17.350 -0.744 -0.949 908 2HD2 LEU 116 2HD2 LEU 116 -17.169 0.645 -2.022 909 3HD2 LEU 116 1HD2 LEU 116 -16.154 0.500 -0.587 910 H LEU 117 HN LEU 117 -20.546 -0.083 3.218 911 HA LEU 117 HA LEU 117 -19.271 -0.282 5.664 912 1HB LEU 117 HB2 LEU 117 -22.216 -0.587 5.116 913 2HB LEU 117 HB1 LEU 117 -21.504 -0.340 6.692 914 HG LEU 117 HG LEU 117 -21.595 1.607 4.404 915 1HD1 LEU 117 3HD1 LEU 117 -23.667 1.388 5.670 916 2HD1 LEU 117 2HD1 LEU 117 -22.785 1.707 7.164 917 3HD1 LEU 117 1HD1 LEU 117 -22.910 2.962 5.935 918 1HD2 LEU 117 2HD2 LEU 117 -20.213 1.867 7.060 919 2HD2 LEU 117 1HD2 LEU 117 -19.480 1.809 5.447 920 3HD2 LEU 117 3HD2 LEU 117 -20.487 3.183 5.903 921 H LYS 118 HN LYS 118 -21.191 -2.831 3.994 922 HA LYS 118 HA LYS 118 -20.510 -4.467 6.289 923 1HB LYS 118 HB2 LYS 118 -22.046 -6.101 5.669 924 2HB LYS 118 HB1 LYS 118 -22.826 -4.602 5.230 925 1HG LYS 118 HG2 LYS 118 -21.293 -6.217 3.280 926 2HG LYS 118 HG1 LYS 118 -22.981 -6.585 3.678 927 1HD LYS 118 HD2 LYS 118 -23.571 -4.317 2.920 928 2HD LYS 118 HD1 LYS 118 -21.873 -4.033 2.517 929 1HE LYS 118 HE2 LYS 118 -23.627 -6.177 1.329 930 2HE LYS 118 HE1 LYS 118 -23.168 -4.683 0.522 931 1HZ LYS 118 HZ1 LYS 118 -20.805 -5.432 0.806 932 2HZ LYS 118 HZ3 LYS 118 -21.396 -6.943 1.292 933 3HZ LYS 118 HZ2 LYS 118 -21.732 -6.332 -0.246 934 H GLY 119 HN GLY 119 -19.067 -3.641 3.523 935 1HA GLY 119 HA1 GLY 119 -17.275 -5.924 3.790 936 2HA GLY 119 HA2 GLY 119 -16.833 -4.326 3.203 937 H ILE 120 HN ILE 120 -15.998 -5.011 1.310 938 HA ILE 120 HA ILE 120 -17.974 -6.056 -0.578 939 HB ILE 120 HB ILE 120 -15.241 -5.026 -1.382 940 1HG1 ILE 120 2HG1 ILE 120 -16.395 -3.170 -0.295 941 2HG1 ILE 120 1HG1 ILE 120 -16.429 -2.917 -2.038 942 1HG2 ILE 120 3HG2 ILE 120 -17.828 -5.564 -2.828 943 2HG2 ILE 120 2HG2 ILE 120 -16.439 -4.786 -3.603 944 3HG2 ILE 120 1HG2 ILE 120 -16.331 -6.453 -2.992 945 1HD1 ILE 120 2HD1 ILE 120 -18.723 -3.797 -2.080 946 2HD1 ILE 120 1HD1 ILE 120 -18.600 -4.016 -0.339 947 3HD1 ILE 120 3HD1 ILE 120 -18.614 -2.394 -1.021 948 HA PRO 121 HA PRO 121 -15.803 -9.962 -0.045 949 1HB PRO 121 HB2 PRO 121 -17.671 -11.475 -1.186 950 2HB PRO 121 HB1 PRO 121 -17.999 -10.684 0.366 951 1HG PRO 121 HG2 PRO 121 -18.735 -9.747 -2.403 952 2HG PRO 121 HG1 PRO 121 -19.815 -9.896 -1.019 953 1HD PRO 121 HD2 PRO 121 -18.753 -7.584 -1.696 954 2HD PRO 121 HD1 PRO 121 -18.978 -8.025 0.012 955 H PHE 122 HN PHE 122 -16.351 -8.173 -2.669 956 HA PHE 122 HA PHE 122 -15.552 -10.177 -4.674 957 1HB PHE 122 HB2 PHE 122 -16.623 -7.383 -5.126 958 2HB PHE 122 HB1 PHE 122 -16.220 -8.531 -6.391 959 HD1 PHE 122 HD1 PHE 122 -17.457 -10.830 -6.244 960 HD2 PHE 122 HD2 PHE 122 -18.795 -7.246 -4.382 961 HE1 PHE 122 HE1 PHE 122 -19.742 -11.726 -6.170 962 HE2 PHE 122 HE2 PHE 122 -21.082 -8.135 -4.303 963 HZ PHE 122 HZ PHE 122 -21.559 -10.378 -5.192 964 H ARG 123 HN ARG 123 -13.473 -10.315 -5.045 965 HA ARG 123 HA ARG 123 -12.059 -7.982 -5.656 966 1HB ARG 123 HB2 ARG 123 -10.126 -8.475 -4.012 967 2HB ARG 123 HB1 ARG 123 -11.506 -7.548 -3.495 968 1HG ARG 123 HG2 ARG 123 -10.833 -9.004 -1.729 969 2HG ARG 123 HG1 ARG 123 -12.378 -9.559 -2.337 970 1HD ARG 123 HD2 ARG 123 -9.806 -10.796 -3.272 971 2HD ARG 123 HD1 ARG 123 -10.521 -11.277 -1.743 972 HE ARG 123 HE ARG 123 -11.738 -11.602 -4.398 973 1HH1 ARG 123 1HH1 ARG 123 -11.319 -12.751 -1.055 974 2HH1 ARG 123 2HH1 ARG 123 -12.352 -14.095 -1.250 975 1HH2 ARG 123 1HH2 ARG 123 -13.111 -13.500 -4.642 976 2HH2 ARG 123 2HH2 ARG 123 -13.381 -14.530 -3.329 977 H THR 124 HN THR 124 -10.563 -8.130 -6.971 978 HA THR 124 HA THR 124 -8.838 -10.345 -7.238 979 HB THR 124 HB THR 124 -10.327 -9.376 -9.744 980 HG1 THR 124 HG1 THR 124 -11.917 -10.474 -8.768 981 1HG2 THR 124 3HG2 THR 124 -8.619 -11.801 -9.205 982 2HG2 THR 124 2HG2 THR 124 -9.443 -11.454 -10.729 983 3HG2 THR 124 1HG2 THR 124 -8.178 -10.373 -10.141 984 H LYS 125 HN LYS 125 -7.220 -9.301 -9.190 985 HA LYS 125 HA LYS 125 -6.270 -7.026 -7.905 986 1HB LYS 125 HB2 LYS 125 -4.640 -6.861 -9.718 987 2HB LYS 125 HB1 LYS 125 -4.775 -8.478 -9.083 988 1HG LYS 125 HG2 LYS 125 -6.056 -9.209 -10.995 989 2HG LYS 125 HG1 LYS 125 -6.099 -7.567 -11.630 990 1HD LYS 125 HD2 LYS 125 -3.599 -9.193 -11.199 991 2HD LYS 125 HD1 LYS 125 -4.420 -9.011 -12.751 992 1HE LYS 125 HE2 LYS 125 -4.065 -6.574 -12.629 993 2HE LYS 125 HE1 LYS 125 -3.210 -6.784 -11.105 994 1HZ LYS 125 HZ1 LYS 125 -1.559 -8.097 -12.263 995 2HZ LYS 125 HZ3 LYS 125 -2.393 -7.885 -13.719 996 3HZ LYS 125 HZ2 LYS 125 -1.713 -6.553 -12.944 997 H ALA 126 HN ALA 126 -8.163 -7.231 -10.892 998 HA ALA 126 HA ALA 126 -7.816 -4.420 -11.308 999 1HB ALA 126 HB2 ALA 126 -9.489 -6.452 -12.718 1000 2HB ALA 126 HB3 ALA 126 -7.846 -5.997 -13.152 1001 3HB ALA 126 HB1 ALA 126 -9.156 -4.807 -13.299 1002 H GLU 127 HN GLU 127 -10.011 -6.581 -9.829 1003 HA GLU 127 HA GLU 127 -12.270 -4.841 -10.031 1004 1HB GLU 127 HB2 GLU 127 -11.913 -7.138 -8.124 1005 2HB GLU 127 HB1 GLU 127 -13.432 -6.407 -8.630 1006 1HG GLU 127 HG2 GLU 127 -12.655 -7.104 -11.027 1007 2HG GLU 127 HG1 GLU 127 -11.540 -8.078 -10.172 1008 H PHE 128 HN PHE 128 -9.714 -5.335 -7.719 1009 HA PHE 128 HA PHE 128 -10.852 -3.781 -5.618 1010 1HB PHE 128 HB2 PHE 128 -9.038 -5.312 -5.116 1011 2HB PHE 128 HB1 PHE 128 -8.001 -4.546 -6.312 1012 HD1 PHE 128 HD1 PHE 128 -6.977 -2.444 -5.890 1013 HD2 PHE 128 HD2 PHE 128 -9.408 -4.305 -2.976 1014 HE1 PHE 128 HE1 PHE 128 -6.052 -0.914 -4.176 1015 HE2 PHE 128 HE2 PHE 128 -8.515 -2.809 -1.235 1016 HZ PHE 128 HZ PHE 128 -6.837 -1.086 -1.838 1017 H GLU 129 HN GLU 129 -8.453 -3.049 -8.145 1018 HA GLU 129 HA GLU 129 -8.464 -0.344 -7.407 1019 1HB GLU 129 HB2 GLU 129 -7.274 0.035 -9.620 1020 2HB GLU 129 HB1 GLU 129 -6.507 -1.024 -8.446 1021 1HG GLU 129 HG2 GLU 129 -7.134 -2.943 -9.646 1022 2HG GLU 129 HG1 GLU 129 -8.161 -2.010 -10.726 1023 H ASP 130 HN ASP 130 -10.572 -2.146 -9.356 1024 HA ASP 130 HA ASP 130 -11.705 -0.056 -10.920 1025 1HB ASP 130 HB2 ASP 130 -12.083 -2.561 -11.213 1026 2HB ASP 130 HB1 ASP 130 -13.182 -2.464 -9.854 1027 H VAL 131 HN VAL 131 -12.567 -1.437 -7.799 1028 HA VAL 131 HA VAL 131 -14.657 0.472 -7.369 1029 HB VAL 131 HB VAL 131 -14.915 -1.704 -6.267 1030 1HG1 VAL 131 3HG1 VAL 131 -12.600 -2.301 -6.033 1031 2HG1 VAL 131 2HG1 VAL 131 -12.417 -1.103 -4.756 1032 3HG1 VAL 131 1HG1 VAL 131 -13.476 -2.495 -4.512 1033 1HG2 VAL 131 1HG2 VAL 131 -14.365 0.408 -4.216 1034 2HG2 VAL 131 3HG2 VAL 131 -15.911 0.139 -5.046 1035 3HG2 VAL 131 2HG2 VAL 131 -15.253 -1.089 -3.945 1036 H ILE 132 HN ILE 132 -11.306 0.230 -6.416 1037 HA ILE 132 HA ILE 132 -11.352 2.471 -4.733 1038 HB ILE 132 HB ILE 132 -9.284 0.710 -5.848 1039 1HG1 ILE 132 2HG1 ILE 132 -8.390 0.817 -3.558 1040 2HG1 ILE 132 1HG1 ILE 132 -9.543 2.087 -3.168 1041 1HG2 ILE 132 1HG2 ILE 132 -8.368 2.768 -6.684 1042 2HG2 ILE 132 3HG2 ILE 132 -8.460 3.495 -5.079 1043 3HG2 ILE 132 2HG2 ILE 132 -7.369 2.131 -5.371 1044 1HD1 ILE 132 2HD1 ILE 132 -10.211 -0.753 -3.915 1045 2HD1 ILE 132 1HD1 ILE 132 -10.252 -0.067 -2.290 1046 3HD1 ILE 132 3HD1 ILE 132 -11.377 0.508 -3.522 1047 H GLU 133 HN GLU 133 -10.828 2.205 -8.220 1048 HA GLU 133 HA GLU 133 -10.097 4.901 -8.491 1049 1HB GLU 133 HB2 GLU 133 -10.447 4.646 -10.874 1050 2HB GLU 133 HB1 GLU 133 -9.544 3.288 -10.215 1051 1HG GLU 133 HG2 GLU 133 -11.615 1.982 -10.203 1052 2HG GLU 133 HG1 GLU 133 -12.407 3.362 -10.965 1053 H HIS 134 HN HIS 134 -13.072 3.393 -8.014 1054 HA HIS 134 HA HIS 134 -14.644 5.698 -8.864 1055 1HB HIS 134 HB2 HIS 134 -15.451 3.250 -8.951 1056 2HB HIS 134 HB1 HIS 134 -15.482 3.334 -7.191 1057 HD1 HIS 134 HD1 HIS 134 -17.633 3.976 -10.094 1058 HD2 HIS 134 HD2 HIS 134 -17.239 5.287 -6.203 1059 HE1 HIS 134 HE1 HIS 134 -19.868 4.923 -9.483 1060 H MET 135 HN MET 135 -13.592 4.178 -5.821 1061 HA MET 135 HA MET 135 -14.678 5.990 -3.989 1062 1HB MET 135 HB2 MET 135 -11.972 4.656 -3.811 1063 2HB MET 135 HB1 MET 135 -12.846 5.374 -2.479 1064 1HG MET 135 HG2 MET 135 -13.741 2.950 -4.038 1065 2HG MET 135 HG1 MET 135 -12.909 2.908 -2.496 1066 1HE MET 135 HE3 MET 135 -16.271 3.051 -4.317 1067 2HE MET 135 HE2 MET 135 -17.363 3.843 -3.186 1068 3HE MET 135 HE1 MET 135 -16.166 4.792 -4.061 1069 H LYS 136 HN LYS 136 -11.645 6.254 -5.784 1070 HA LYS 136 HA LYS 136 -10.852 8.647 -4.543 1071 1HB LYS 136 HB2 LYS 136 -9.168 8.890 -6.318 1072 2HB LYS 136 HB1 LYS 136 -9.186 7.281 -5.615 1073 1HG LYS 136 HG2 LYS 136 -10.498 6.504 -7.536 1074 2HG LYS 136 HG1 LYS 136 -10.373 8.105 -8.240 1075 1HD LYS 136 HD2 LYS 136 -8.706 6.546 -9.196 1076 2HD LYS 136 HD1 LYS 136 -7.952 7.916 -8.389 1077 1HE LYS 136 HE2 LYS 136 -7.449 6.560 -6.459 1078 2HE LYS 136 HE1 LYS 136 -8.351 5.199 -7.114 1079 1HZ LYS 136 HZ3 LYS 136 -5.845 6.368 -8.247 1080 2HZ LYS 136 HZ2 LYS 136 -5.955 4.936 -7.391 1081 3HZ LYS 136 HZ1 LYS 136 -6.662 5.047 -8.897 1082 H THR 137 HN THR 137 -13.250 8.142 -7.003 1083 HA THR 137 HA THR 137 -13.058 10.678 -8.222 1084 HB THR 137 HB THR 137 -15.284 10.240 -9.165 1085 HG1 THR 137 HG1 THR 137 -15.694 8.086 -7.438 1086 1HG2 THR 137 3HG2 THR 137 -13.529 8.694 -9.961 1087 2HG2 THR 137 2HG2 THR 137 -14.053 7.601 -8.657 1088 3HG2 THR 137 1HG2 THR 137 -15.161 7.974 -9.963 1089 H TYR 138 HN TYR 138 -14.405 9.472 -5.228 1090 HA TYR 138 HA TYR 138 -15.839 11.868 -4.583 1091 1HB TYR 138 HB2 TYR 138 -15.155 9.365 -2.966 1092 2HB TYR 138 HB1 TYR 138 -16.231 10.648 -2.399 1093 HD1 TYR 138 HD1 TYR 138 -18.589 10.381 -2.817 1094 HD2 TYR 138 HD2 TYR 138 -15.804 8.191 -5.145 1095 HE1 TYR 138 HE1 TYR 138 -20.426 9.337 -4.043 1096 HE2 TYR 138 HE2 TYR 138 -17.619 7.116 -6.323 1097 HH TYR 138 HH TYR 138 -19.879 6.634 -6.161 1098 H SER 139 HN SER 139 -13.269 10.011 -3.008 1099 HA SER 139 HA SER 139 -11.419 10.554 -1.788 1100 1HB SER 139 HB2 SER 139 -10.757 11.184 -4.138 1101 2HB SER 139 HB1 SER 139 -11.235 12.834 -3.723 1102 HG SER 139 HG SER 139 -9.661 12.628 -1.963 1103 H GLY 140 HN GLY 140 -14.104 11.997 -1.055 1104 1HA GLY 140 HA1 GLY 140 -13.245 14.488 -0.082 1105 2HA GLY 140 HA2 GLY 140 -13.603 13.240 1.134 No H/Q in entry = 1105 Start of MODEL 5 1 H1 ALA 1 HT3 ALA 1 26.501 10.672 -0.580 2 H2 ALA 1 HT2 ALA 1 25.423 10.301 -1.805 3 H3 ALA 1 HT1 ALA 1 24.833 10.804 -0.287 4 HA ALA 1 HA ALA 1 25.815 8.817 0.699 5 1HB ALA 1 HB1 ALA 1 24.065 8.193 -1.674 6 2HB ALA 1 HB2 ALA 1 23.493 8.675 -0.072 7 3HB ALA 1 HB3 ALA 1 24.343 7.146 -0.285 8 H GLU 2 HN GLU 2 27.644 7.799 0.602 9 HA GLU 2 HA GLU 2 28.602 6.671 -1.826 10 1HB GLU 2 HB2 GLU 2 30.772 7.901 -1.700 11 2HB GLU 2 HB1 GLU 2 29.420 8.920 -2.144 12 1HG GLU 2 HG2 GLU 2 30.713 8.800 0.593 13 2HG GLU 2 HG1 GLU 2 31.000 10.039 -0.619 14 H VAL 3 HN VAL 3 30.612 5.424 -1.350 15 HA VAL 3 HA VAL 3 30.213 4.160 1.201 16 HB VAL 3 HB VAL 3 31.706 2.409 0.445 17 1HG1 VAL 3 3HG1 VAL 3 29.382 2.340 -0.305 18 2HG1 VAL 3 2HG1 VAL 3 29.835 3.210 -1.761 19 3HG1 VAL 3 1HG1 VAL 3 30.468 1.592 -1.483 20 1HG2 VAL 3 1HG2 VAL 3 32.228 4.140 -1.982 21 2HG2 VAL 3 3HG2 VAL 3 33.388 3.732 -0.720 22 3HG2 VAL 3 2HG2 VAL 3 32.773 2.474 -1.791 23 H GLU 4 HN GLU 4 32.265 3.418 2.364 24 HA GLU 4 HA GLU 4 34.115 5.678 2.506 25 1HB GLU 4 HB2 GLU 4 33.137 3.952 4.788 26 2HB GLU 4 HB1 GLU 4 34.265 5.298 4.913 27 1HG GLU 4 HG2 GLU 4 32.493 6.818 4.154 28 2HG GLU 4 HG1 GLU 4 31.374 5.458 4.098 29 H HIS 5 HN HIS 5 36.127 5.116 2.107 30 HA HIS 5 HA HIS 5 38.018 3.949 1.745 31 1HB HIS 5 HB2 HIS 5 36.756 1.823 3.477 32 2HB HIS 5 HB1 HIS 5 38.442 1.852 2.983 33 HD1 HIS 5 HD1 HIS 5 37.285 1.873 5.975 34 HD2 HIS 5 HD2 HIS 5 38.845 5.097 3.868 35 HE1 HIS 5 HE1 HIS 5 38.085 3.530 7.713 36 H TYR 6 HN TYR 6 38.437 1.266 1.296 37 HA TYR 6 HA TYR 6 37.220 0.974 -1.304 38 1HB TYR 6 HB2 TYR 6 39.173 -0.772 0.180 39 2HB TYR 6 HB1 TYR 6 38.804 -0.850 -1.538 40 HD1 TYR 6 HD1 TYR 6 40.594 0.986 1.079 41 HD2 TYR 6 HD2 TYR 6 39.658 0.842 -3.060 42 HE1 TYR 6 HE1 TYR 6 42.400 2.587 0.627 43 HE2 TYR 6 HE2 TYR 6 41.454 2.445 -3.523 44 HH TYR 6 HH TYR 6 42.744 4.080 -2.446 45 H GLU 7 HN GLU 7 36.677 0.051 1.812 46 HA GLU 7 HA GLU 7 35.648 -2.552 1.785 47 1HB GLU 7 HB2 GLU 7 34.867 -0.187 3.471 48 2HB GLU 7 HB1 GLU 7 34.460 -1.854 3.812 49 1HG GLU 7 HG2 GLU 7 36.807 -2.370 4.134 50 2HG GLU 7 HG1 GLU 7 37.232 -0.703 3.727 51 HA PRO 8 HA PRO 8 31.571 -1.768 0.095 52 1HB PRO 8 HB2 PRO 8 30.157 -3.711 1.207 53 2HB PRO 8 HB1 PRO 8 31.299 -4.040 -0.095 54 1HG PRO 8 HG2 PRO 8 31.611 -4.462 2.849 55 2HG PRO 8 HG1 PRO 8 32.166 -5.481 1.505 56 1HD PRO 8 HD2 PRO 8 33.786 -3.756 2.883 57 2HD PRO 8 HD1 PRO 8 34.072 -4.253 1.203 58 H LEU 9 HN LEU 9 29.352 -1.547 0.911 59 HA LEU 9 HA LEU 9 29.435 -0.083 3.474 60 1HB LEU 9 HB2 LEU 9 28.873 0.926 0.963 61 2HB LEU 9 HB1 LEU 9 27.322 0.421 1.494 62 HG LEU 9 HG LEU 9 27.706 2.832 1.941 63 1HD1 LEU 9 2HD1 LEU 9 27.235 1.150 4.392 64 2HD1 LEU 9 1HD1 LEU 9 26.823 2.856 4.220 65 3HD1 LEU 9 3HD1 LEU 9 26.022 1.649 3.217 66 1HD2 LEU 9 1HD2 LEU 9 30.103 2.654 2.533 67 2HD2 LEU 9 3HD2 LEU 9 29.156 3.539 3.724 68 3HD2 LEU 9 2HD2 LEU 9 29.643 1.883 4.055 69 H GLN 10 HN GLN 10 28.350 -1.156 4.990 70 HA GLN 10 HA GLN 10 26.397 -3.121 4.378 71 1HB GLN 10 HB2 GLN 10 27.468 -1.934 6.881 72 2HB GLN 10 HB1 GLN 10 26.028 -2.943 6.963 73 1HG GLN 10 HG2 GLN 10 27.324 -4.743 5.940 74 2HG GLN 10 HG1 GLN 10 28.740 -3.696 5.920 75 1HE2 GLN 10 1HE2 GLN 10 28.178 -6.238 7.327 76 2HE2 GLN 10 2HE2 GLN 10 28.486 -5.920 8.991 77 H VAL 11 HN VAL 11 24.636 -2.438 3.479 78 HA VAL 11 HA VAL 11 23.236 -0.080 4.496 79 HB VAL 11 HB VAL 11 22.694 -1.670 1.994 80 1HG1 VAL 11 2HG1 VAL 11 21.850 1.095 2.803 81 2HG1 VAL 11 1HG1 VAL 11 21.541 0.335 1.236 82 3HG1 VAL 11 3HG1 VAL 11 20.842 -0.352 2.699 83 1HG2 VAL 11 2HG2 VAL 11 24.402 0.803 2.236 84 2HG2 VAL 11 1HG2 VAL 11 24.932 -0.840 1.830 85 3HG2 VAL 11 3HG2 VAL 11 23.881 0.034 0.729 86 H HIS 12 HN HIS 12 21.366 -0.424 5.541 87 HA HIS 12 HA HIS 12 20.130 -3.064 5.318 88 1HB HIS 12 HB2 HIS 12 19.787 -0.944 7.467 89 2HB HIS 12 HB1 HIS 12 18.921 -2.478 7.407 90 HD1 HIS 12 HD1 HIS 12 20.080 -4.477 8.520 91 HD2 HIS 12 HD2 HIS 12 22.620 -1.242 7.912 92 HE1 HIS 12 HE1 HIS 12 22.221 -5.034 9.710 93 H VAL 13 HN VAL 13 18.645 -3.042 3.830 94 HA VAL 13 HA VAL 13 17.267 -0.537 3.227 95 HB VAL 13 HB VAL 13 16.608 -1.573 1.140 96 1HG1 VAL 13 1HG1 VAL 13 18.738 -0.410 1.276 97 2HG1 VAL 13 3HG1 VAL 13 19.536 -1.938 1.660 98 3HG1 VAL 13 2HG1 VAL 13 18.775 -1.723 0.087 99 1HG2 VAL 13 2HG2 VAL 13 16.467 -3.892 1.879 100 2HG2 VAL 13 1HG2 VAL 13 17.466 -3.733 0.431 101 3HG2 VAL 13 3HG2 VAL 13 18.232 -3.935 2.007 102 H GLN 14 HN GLN 14 15.308 -0.247 3.542 103 HA GLN 14 HA GLN 14 13.693 -2.483 4.495 104 1HB GLN 14 HB2 GLN 14 14.041 -0.288 5.889 105 2HB GLN 14 HB1 GLN 14 12.985 0.457 4.702 106 1HG GLN 14 HG2 GLN 14 12.187 -1.941 6.339 107 2HG GLN 14 HG1 GLN 14 11.911 -0.286 6.861 108 1HE2 GLN 14 1HE2 GLN 14 10.303 0.891 5.918 109 2HE2 GLN 14 2HE2 GLN 14 9.147 0.192 4.848 110 H LEU 15 HN LEU 15 12.601 -3.313 2.906 111 HA LEU 15 HA LEU 15 12.098 -1.664 0.558 112 1HB LEU 15 HB2 LEU 15 12.387 -4.651 0.826 113 2HB LEU 15 HB1 LEU 15 12.039 -3.821 -0.665 114 HG LEU 15 HG LEU 15 14.554 -3.633 0.962 115 1HD1 LEU 15 3HD1 LEU 15 13.905 -4.981 -1.625 116 2HD1 LEU 15 2HD1 LEU 15 15.541 -4.677 -1.055 117 3HD1 LEU 15 1HD1 LEU 15 14.452 -5.723 -0.120 118 1HD2 LEU 15 2HD2 LEU 15 13.862 -2.316 -1.663 119 2HD2 LEU 15 1HD2 LEU 15 14.136 -1.499 -0.124 120 3HD2 LEU 15 3HD2 LEU 15 15.464 -2.337 -0.926 121 H GLU 16 HN GLU 16 10.119 -0.972 0.632 122 HA GLU 16 HA GLU 16 8.001 -2.535 1.892 123 1HB GLU 16 HB2 GLU 16 7.904 0.159 0.547 124 2HB GLU 16 HB1 GLU 16 6.599 -0.588 1.443 125 1HG GLU 16 HG2 GLU 16 7.818 -0.391 3.484 126 2HG GLU 16 HG1 GLU 16 9.244 0.206 2.626 127 H LYS 17 HN LYS 17 6.533 -3.573 0.736 128 HA LYS 17 HA LYS 17 6.603 -3.257 -2.200 129 1HB LYS 17 HB2 LYS 17 5.469 -5.513 -0.518 130 2HB LYS 17 HB1 LYS 17 5.423 -5.445 -2.263 131 1HG LYS 17 HG2 LYS 17 7.961 -5.550 -0.641 132 2HG LYS 17 HG1 LYS 17 7.177 -6.954 -1.365 133 1HD LYS 17 HD2 LYS 17 7.454 -5.944 -3.592 134 2HD LYS 17 HD1 LYS 17 8.251 -4.552 -2.855 135 1HE LYS 17 HE2 LYS 17 9.890 -6.105 -3.768 136 2HE LYS 17 HE1 LYS 17 9.987 -6.000 -2.010 137 1HZ LYS 17 HZ2 LYS 17 8.758 -8.104 -1.872 138 2HZ LYS 17 HZ1 LYS 17 8.702 -8.217 -3.536 139 3HZ LYS 17 HZ3 LYS 17 10.181 -8.280 -2.738 140 H VAL 18 HN VAL 18 4.997 -1.630 -2.736 141 HA VAL 18 HA VAL 18 2.849 -1.607 -0.841 142 HB VAL 18 HB VAL 18 3.826 0.327 -2.887 143 1HG1 VAL 18 2HG1 VAL 18 1.359 0.442 -2.911 144 2HG1 VAL 18 1HG1 VAL 18 1.343 0.644 -1.153 145 3HG1 VAL 18 3HG1 VAL 18 2.039 1.894 -2.196 146 1HG2 VAL 18 2HG2 VAL 18 5.063 0.299 -0.833 147 2HG2 VAL 18 1HG2 VAL 18 4.154 1.806 -0.962 148 3HG2 VAL 18 3HG2 VAL 18 3.584 0.520 0.103 149 H TYR 19 HN TYR 19 1.320 -2.924 -1.257 150 HA TYR 19 HA TYR 19 0.608 -3.627 -3.958 151 1HB TYR 19 HB2 TYR 19 -0.575 -4.378 -1.276 152 2HB TYR 19 HB1 TYR 19 -1.089 -5.034 -2.818 153 HD1 TYR 19 HD1 TYR 19 -0.045 -6.929 -3.685 154 HD2 TYR 19 HD2 TYR 19 1.842 -4.819 -0.532 155 HE1 TYR 19 HE1 TYR 19 1.554 -8.774 -3.417 156 HE2 TYR 19 HE2 TYR 19 3.444 -6.651 -0.253 157 HH TYR 19 HH TYR 19 3.736 -9.171 -2.520 158 H LEU 20 HN LEU 20 -1.599 -3.311 -4.676 159 HA LEU 20 HA LEU 20 -2.575 -0.697 -4.430 160 1HB LEU 20 HB2 LEU 20 -4.238 -3.122 -5.052 161 2HB LEU 20 HB1 LEU 20 -4.586 -1.472 -5.485 162 HG LEU 20 HG LEU 20 -2.364 -3.156 -6.613 163 1HD1 LEU 20 1HD1 LEU 20 -4.591 -3.880 -7.237 164 2HD1 LEU 20 3HD1 LEU 20 -4.990 -2.250 -7.781 165 3HD1 LEU 20 2HD1 LEU 20 -3.739 -3.184 -8.614 166 1HD2 LEU 20 2HD2 LEU 20 -3.326 -0.386 -7.357 167 2HD2 LEU 20 1HD2 LEU 20 -1.795 -0.767 -6.569 168 3HD2 LEU 20 3HD2 LEU 20 -2.095 -1.317 -8.217 169 H ASP 21 HN ASP 21 -3.450 -3.636 -2.883 170 HA ASP 21 HA ASP 21 -5.829 -3.059 -1.607 171 1HB ASP 21 HB2 ASP 21 -5.232 -5.253 -1.758 172 2HB ASP 21 HB1 ASP 21 -3.632 -4.996 -1.069 173 H GLY 22 HN GLY 22 -2.592 -2.323 -0.445 174 1HA GLY 22 HA1 GLY 22 -3.912 -1.131 1.897 175 2HA GLY 22 HA2 GLY 22 -2.507 -0.420 1.130 176 H ASP 23 HN ASP 23 -2.941 -3.868 1.775 177 HA ASP 23 HA ASP 23 -1.190 -3.735 4.057 178 1HB ASP 23 HB2 ASP 23 -2.919 -5.488 4.047 179 2HB ASP 23 HB1 ASP 23 -2.270 -6.142 2.550 180 H VAL 24 HN VAL 24 0.887 -3.469 3.797 181 HA VAL 24 HA VAL 24 1.992 -4.280 1.228 182 HB VAL 24 HB VAL 24 3.618 -2.602 1.390 183 1HG1 VAL 24 2HG1 VAL 24 1.474 -1.791 0.657 184 2HG1 VAL 24 1HG1 VAL 24 1.031 -1.399 2.313 185 3HG1 VAL 24 3HG1 VAL 24 2.349 -0.525 1.530 186 1HG2 VAL 24 3HG2 VAL 24 2.717 -2.138 4.218 187 2HG2 VAL 24 2HG2 VAL 24 4.247 -2.813 3.623 188 3HG2 VAL 24 1HG2 VAL 24 3.875 -1.111 3.334 189 H SER 25 HN SER 25 4.206 -4.989 1.264 190 HA SER 25 HA SER 25 4.688 -6.615 3.641 191 1HB SER 25 HB2 SER 25 4.570 -7.715 1.348 192 2HB SER 25 HB1 SER 25 6.017 -6.800 0.932 193 HG SER 25 HG SER 25 5.714 -8.817 2.885 194 H ILE 26 HN ILE 26 6.188 -6.021 4.973 195 HA ILE 26 HA ILE 26 8.027 -3.900 4.171 196 HB ILE 26 HB ILE 26 7.229 -4.933 6.908 197 1HG1 ILE 26 2HG1 ILE 26 5.450 -3.641 5.938 198 2HG1 ILE 26 1HG1 ILE 26 6.227 -2.665 7.188 199 1HG2 ILE 26 1HG2 ILE 26 9.091 -2.675 6.217 200 2HG2 ILE 26 3HG2 ILE 26 8.482 -3.033 7.831 201 3HG2 ILE 26 2HG2 ILE 26 9.525 -4.195 7.005 202 1HD1 ILE 26 2HD1 ILE 26 7.461 -1.484 5.410 203 2HD1 ILE 26 1HD1 ILE 26 6.561 -2.445 4.226 204 3HD1 ILE 26 3HD1 ILE 26 5.703 -1.314 5.275 205 H GLU 27 HN GLU 27 9.927 -4.546 3.574 206 HA GLU 27 HA GLU 27 10.902 -7.114 4.585 207 1HB GLU 27 HB2 GLU 27 10.351 -7.099 2.212 208 2HB GLU 27 HB1 GLU 27 11.433 -5.747 1.959 209 1HG GLU 27 HG2 GLU 27 12.456 -7.803 1.255 210 2HG GLU 27 HG1 GLU 27 13.310 -7.130 2.632 211 H HIS 28 HN HIS 28 13.064 -7.274 5.094 212 HA HIS 28 HA HIS 28 14.562 -4.772 5.295 213 1HB HIS 28 HB2 HIS 28 14.100 -6.749 7.503 214 2HB HIS 28 HB1 HIS 28 15.448 -5.635 7.523 215 HD1 HIS 28 HD1 HIS 28 14.944 -3.765 9.093 216 HD2 HIS 28 HD2 HIS 28 11.610 -5.014 7.001 217 HE1 HIS 28 HE1 HIS 28 13.039 -2.341 9.951 218 H LYS 29 HN LYS 29 16.160 -5.126 4.082 219 HA LYS 29 HA LYS 29 17.527 -7.726 4.213 220 1HB LYS 29 HB2 LYS 29 17.498 -5.777 1.938 221 2HB LYS 29 HB1 LYS 29 18.534 -7.173 2.003 222 1HG LYS 29 HG2 LYS 29 16.171 -8.404 2.203 223 2HG LYS 29 HG1 LYS 29 15.650 -6.913 1.428 224 1HD LYS 29 HD2 LYS 29 17.898 -8.625 0.521 225 2HD LYS 29 HD1 LYS 29 16.286 -8.654 -0.236 226 1HE LYS 29 HE2 LYS 29 16.620 -6.243 -0.796 227 2HE LYS 29 HE1 LYS 29 18.244 -6.331 -0.124 228 1HZ LYS 29 HZ1 LYS 29 18.795 -7.965 -1.846 229 2HZ LYS 29 HZ3 LYS 29 17.222 -7.818 -2.474 230 3HZ LYS 29 HZ2 LYS 29 18.270 -6.497 -2.493 231 H HIS 30 HN HIS 30 19.709 -7.655 4.018 232 HA HIS 30 HA HIS 30 20.957 -5.093 4.664 233 1HB HIS 30 HB2 HIS 30 22.560 -6.193 6.167 234 2HB HIS 30 HB1 HIS 30 20.916 -6.392 6.750 235 HD1 HIS 30 HD1 HIS 30 23.973 -8.248 5.936 236 HD2 HIS 30 HD2 HIS 30 19.927 -9.105 6.346 237 HE1 HIS 30 HE1 HIS 30 23.817 -10.744 6.193 238 H GLU 31 HN GLU 31 22.258 -4.498 3.004 239 HA GLU 31 HA GLU 31 23.704 -6.681 1.811 240 1HB GLU 31 HB2 GLU 31 23.361 -5.729 -0.407 241 2HB GLU 31 HB1 GLU 31 21.862 -6.247 0.361 242 1HG GLU 31 HG2 GLU 31 21.527 -3.806 0.943 243 2HG GLU 31 HG1 GLU 31 22.868 -3.514 -0.166 244 H LYS 32 HN LYS 32 25.695 -6.341 1.364 245 HA LYS 32 HA LYS 32 26.811 -3.769 2.049 246 1HB LYS 32 HB2 LYS 32 28.044 -6.463 1.631 247 2HB LYS 32 HB1 LYS 32 28.984 -5.006 1.869 248 1HG LYS 32 HG2 LYS 32 27.893 -4.704 4.011 249 2HG LYS 32 HG1 LYS 32 27.093 -6.252 3.904 250 1HD LYS 32 HD2 LYS 32 30.002 -5.571 4.203 251 2HD LYS 32 HD1 LYS 32 29.041 -6.724 5.127 252 1HE LYS 32 HE2 LYS 32 28.957 -8.177 3.097 253 2HE LYS 32 HE1 LYS 32 29.996 -6.981 2.312 254 1HZ LYS 32 HZ2 LYS 32 31.704 -7.416 3.975 255 2HZ LYS 32 HZ1 LYS 32 30.758 -8.603 4.684 256 3HZ LYS 32 HZ3 LYS 32 31.326 -8.796 3.112 257 H VAL 33 HN VAL 33 27.239 -2.488 0.536 258 HA VAL 33 HA VAL 33 27.771 -3.610 -2.073 259 HB VAL 33 HB VAL 33 25.639 -2.814 -2.437 260 1HG1 VAL 33 2HG1 VAL 33 26.259 -0.468 -0.673 261 2HG1 VAL 33 1HG1 VAL 33 24.771 -0.680 -1.618 262 3HG1 VAL 33 3HG1 VAL 33 25.180 -1.838 -0.363 263 1HG2 VAL 33 3HG2 VAL 33 27.292 -1.824 -3.994 264 2HG2 VAL 33 2HG2 VAL 33 25.789 -0.918 -3.877 265 3HG2 VAL 33 1HG2 VAL 33 27.247 -0.379 -3.002 266 H PHE 34 HN PHE 34 29.403 -2.827 -3.263 267 HA PHE 34 HA PHE 34 31.384 -1.316 -1.832 268 1HB PHE 34 HB2 PHE 34 31.404 -2.718 -4.490 269 2HB PHE 34 HB1 PHE 34 32.773 -1.812 -3.874 270 HD1 PHE 34 HD1 PHE 34 34.422 -3.029 -2.844 271 HD2 PHE 34 HD2 PHE 34 30.437 -4.502 -2.702 272 HE1 PHE 34 HE1 PHE 34 35.212 -5.049 -1.692 273 HE2 PHE 34 HE2 PHE 34 31.221 -6.534 -1.558 274 HZ PHE 34 HZ PHE 34 33.613 -6.807 -1.049 275 H SER 35 HN SER 35 29.088 -0.593 -4.355 276 HA SER 35 HA SER 35 30.184 2.101 -4.384 277 1HB SER 35 HB2 SER 35 30.902 1.070 -6.485 278 2HB SER 35 HB1 SER 35 29.245 0.551 -6.815 279 HG SER 35 HG SER 35 30.297 2.663 -7.658 280 H MET 36 HN MET 36 28.681 3.408 -3.672 281 HA MET 36 HA MET 36 26.034 2.585 -3.181 282 1HB MET 36 HB2 MET 36 27.343 5.273 -3.197 283 2HB MET 36 HB1 MET 36 25.605 5.143 -2.994 284 1HG MET 36 HG2 MET 36 27.034 3.328 -1.257 285 2HG MET 36 HG1 MET 36 27.508 5.019 -1.027 286 1HE MET 36 HE1 MET 36 24.062 3.822 -2.285 287 2HE MET 36 HE3 MET 36 24.263 2.552 -1.064 288 3HE MET 36 HE2 MET 36 23.055 3.864 -0.875 289 H ASP 37 HN ASP 37 27.506 3.966 -5.887 290 HA ASP 37 HA ASP 37 25.103 4.895 -7.147 291 1HB ASP 37 HB2 ASP 37 27.311 5.812 -7.780 292 2HB ASP 37 HB1 ASP 37 27.748 4.250 -8.467 293 H ASP 38 HN ASP 38 26.883 1.898 -7.110 294 HA ASP 38 HA ASP 38 25.483 0.587 -9.222 295 1HB ASP 38 HB2 ASP 38 27.615 -0.303 -8.262 296 2HB ASP 38 HB1 ASP 38 26.735 -0.578 -6.754 297 H PHE 39 HN PHE 39 25.077 0.912 -5.782 298 HA PHE 39 HA PHE 39 22.884 -0.754 -5.382 299 1HB PHE 39 HB2 PHE 39 24.279 0.127 -3.583 300 2HB PHE 39 HB1 PHE 39 23.754 1.757 -3.957 301 HD1 PHE 39 HD1 PHE 39 22.944 -1.397 -2.354 302 HD2 PHE 39 HD2 PHE 39 21.533 2.452 -3.394 303 HE1 PHE 39 HE1 PHE 39 21.122 -1.638 -0.721 304 HE2 PHE 39 HE2 PHE 39 19.714 2.233 -1.796 305 HZ PHE 39 HZ PHE 39 19.493 0.203 -0.455 306 H TRP 40 HN TRP 40 23.088 2.755 -6.096 307 HA TRP 40 HA TRP 40 20.317 3.219 -6.060 308 1HB TRP 40 HB2 TRP 40 22.436 4.774 -7.569 309 2HB TRP 40 HB1 TRP 40 20.799 5.334 -7.246 310 HD1 TRP 40 HD1 TRP 40 23.993 6.197 -6.110 311 HE1 TRP 40 HE1 TRP 40 24.134 6.797 -3.621 312 HE3 TRP 40 HE3 TRP 40 19.518 4.258 -4.565 313 HZ2 TRP 40 HZ2 TRP 40 22.524 6.498 -1.312 314 HZ3 TRP 40 HZ3 TRP 40 18.910 4.464 -2.212 315 HH2 TRP 40 HH2 TRP 40 20.366 5.558 -0.628 316 H ALA 41 HN ALA 41 22.476 2.286 -8.591 317 HA ALA 41 HA ALA 41 20.502 2.404 -10.653 318 1HB ALA 41 HB2 ALA 41 22.131 1.189 -12.029 319 2HB ALA 41 HB1 ALA 41 22.905 2.514 -11.154 320 3HB ALA 41 HB3 ALA 41 23.093 0.858 -10.584 321 H ALA 42 HN ALA 42 21.434 0.014 -8.318 322 HA ALA 42 HA ALA 42 20.114 -2.168 -9.563 323 1HB ALA 42 HB2 ALA 42 21.919 -2.460 -7.916 324 2HB ALA 42 HB3 ALA 42 20.454 -3.339 -7.460 325 3HB ALA 42 HB1 ALA 42 20.853 -1.812 -6.672 326 H TYR 43 HN TYR 43 19.092 0.279 -7.186 327 HA TYR 43 HA TYR 43 16.387 -0.926 -7.235 328 1HB TYR 43 HB2 TYR 43 17.743 0.772 -5.142 329 2HB TYR 43 HB1 TYR 43 16.064 0.260 -5.087 330 HD1 TYR 43 HD1 TYR 43 15.476 -2.049 -4.705 331 HD2 TYR 43 HD2 TYR 43 19.537 -0.821 -4.686 332 HE1 TYR 43 HE1 TYR 43 16.103 -4.182 -3.666 333 HE2 TYR 43 HE2 TYR 43 20.181 -2.954 -3.647 334 HH TYR 43 HH TYR 43 19.134 -4.654 -2.292 335 H ALA 44 HN ALA 44 17.829 1.175 -8.995 336 HA ALA 44 HA ALA 44 16.719 3.611 -8.859 337 1HB ALA 44 HB1 ALA 44 18.291 2.893 -10.587 338 2HB ALA 44 HB3 ALA 44 16.994 2.016 -11.398 339 3HB ALA 44 HB2 ALA 44 16.924 3.773 -11.274 340 H GLY 45 HN GLY 45 14.983 0.710 -9.845 341 1HA GLY 45 HA1 GLY 45 12.821 0.378 -10.543 342 2HA GLY 45 HA2 GLY 45 12.711 2.088 -10.923 343 H TRP 46 HN TRP 46 13.590 1.054 -7.703 344 HA TRP 46 HA TRP 46 10.993 1.095 -6.570 345 1HB TRP 46 HB2 TRP 46 13.735 1.394 -5.338 346 2HB TRP 46 HB1 TRP 46 12.243 1.056 -4.474 347 HD1 TRP 46 HD1 TRP 46 14.225 -0.660 -7.354 348 HE1 TRP 46 HE1 TRP 46 14.182 -3.183 -6.897 349 HE3 TRP 46 HE3 TRP 46 11.534 -0.647 -3.046 350 HZ2 TRP 46 HZ2 TRP 46 13.170 -4.925 -4.976 351 HZ3 TRP 46 HZ3 TRP 46 11.068 -2.772 -1.961 352 HH2 TRP 46 HH2 TRP 46 11.881 -4.882 -2.922 353 H THR 47 HN THR 47 10.274 2.783 -4.983 354 HA THR 47 HA THR 47 11.078 5.414 -5.768 355 HB THR 47 HB THR 47 8.963 4.352 -3.898 356 HG1 THR 47 HG1 THR 47 7.922 3.938 -5.657 357 1HG2 THR 47 1HG2 THR 47 9.596 6.630 -3.377 358 2HG2 THR 47 3HG2 THR 47 9.310 7.119 -5.051 359 3HG2 THR 47 2HG2 THR 47 7.959 6.574 -4.043 360 H LEU 48 HN LEU 48 12.683 6.362 -4.621 361 HA LEU 48 HA LEU 48 13.597 5.234 -2.143 362 1HB LEU 48 HB2 LEU 48 15.152 6.075 -3.890 363 2HB LEU 48 HB1 LEU 48 14.515 7.678 -3.702 364 HG LEU 48 HG LEU 48 16.802 7.249 -2.739 365 1HD1 LEU 48 2HD1 LEU 48 15.576 9.194 -2.010 366 2HD1 LEU 48 1HD1 LEU 48 14.766 8.241 -0.759 367 3HD1 LEU 48 3HD1 LEU 48 16.515 8.488 -0.692 368 1HD2 LEU 48 1HD2 LEU 48 15.270 5.700 -0.667 369 2HD2 LEU 48 3HD2 LEU 48 16.457 5.054 -1.806 370 3HD2 LEU 48 2HD2 LEU 48 16.957 6.190 -0.551 371 H VAL 49 HN VAL 49 12.634 5.683 -0.313 372 HA VAL 49 HA VAL 49 11.068 8.113 -0.148 373 HB VAL 49 HB VAL 49 11.117 5.699 1.722 374 1HG1 VAL 49 1HG1 VAL 49 9.343 8.140 1.793 375 2HG1 VAL 49 3HG1 VAL 49 9.194 6.714 2.818 376 3HG1 VAL 49 2HG1 VAL 49 10.608 7.761 2.962 377 1HG2 VAL 49 2HG2 VAL 49 10.120 5.285 -0.438 378 2HG2 VAL 49 1HG2 VAL 49 8.901 5.297 0.839 379 3HG2 VAL 49 3HG2 VAL 49 9.068 6.686 -0.234 380 H GLU 50 HN GLU 50 13.637 6.438 1.679 381 HA GLU 50 HA GLU 50 14.770 9.009 2.207 382 1HB GLU 50 HB2 GLU 50 14.848 8.782 4.632 383 2HB GLU 50 HB1 GLU 50 13.170 8.805 4.096 384 1HG GLU 50 HG2 GLU 50 13.052 6.448 4.351 385 2HG GLU 50 HG1 GLU 50 14.761 6.360 4.772 386 H GLN 51 HN GLN 51 16.856 8.808 3.063 387 HA GLN 51 HA GLN 51 17.948 6.179 3.395 388 1HB GLN 51 HB2 GLN 51 19.871 6.747 1.947 389 2HB GLN 51 HB1 GLN 51 18.314 6.580 1.127 390 1HG GLN 51 HG2 GLN 51 18.097 8.920 0.861 391 2HG GLN 51 HG1 GLN 51 19.509 9.206 1.887 392 1HE2 GLN 51 1HE2 GLN 51 18.424 7.877 -1.072 393 2HE2 GLN 51 2HE2 GLN 51 19.964 7.888 -1.891 394 H LYS 52 HN LYS 52 19.505 6.106 4.818 395 HA LYS 52 HA LYS 52 20.674 8.558 5.782 396 1HB LYS 52 HB2 LYS 52 20.433 7.558 8.110 397 2HB LYS 52 HB1 LYS 52 18.979 8.266 7.409 398 1HG LYS 52 HG2 LYS 52 18.362 5.970 6.708 399 2HG LYS 52 HG1 LYS 52 19.705 5.369 7.680 400 1HD LYS 52 HD2 LYS 52 17.347 6.975 8.723 401 2HD LYS 52 HD1 LYS 52 17.487 5.232 8.822 402 1HE LYS 52 HE2 LYS 52 18.089 6.029 10.942 403 2HE LYS 52 HE1 LYS 52 19.598 5.611 10.144 404 1HZ LYS 52 HZ2 LYS 52 18.497 8.371 10.371 405 2HZ LYS 52 HZ1 LYS 52 19.697 7.723 11.360 406 3HZ LYS 52 HZ3 LYS 52 20.002 7.971 9.732 407 H LYS 53 HN LYS 53 22.415 7.736 7.520 408 HA LYS 53 HA LYS 53 24.331 6.453 5.919 409 1HB LYS 53 HB2 LYS 53 24.850 8.187 7.629 410 2HB LYS 53 HB1 LYS 53 24.452 7.022 8.879 411 1HG LYS 53 HG2 LYS 53 26.803 7.080 8.696 412 2HG LYS 53 HG1 LYS 53 26.257 5.558 7.984 413 1HD LYS 53 HD2 LYS 53 26.400 6.655 5.735 414 2HD LYS 53 HD1 LYS 53 27.124 8.054 6.529 415 1HE LYS 53 HE2 LYS 53 28.219 5.247 6.442 416 2HE LYS 53 HE1 LYS 53 28.853 6.649 5.596 417 1HZ LYS 53 HZ1 LYS 53 29.391 7.643 7.776 418 2HZ LYS 53 HZ3 LYS 53 28.824 6.230 8.536 419 3HZ LYS 53 HZ2 LYS 53 30.147 6.153 7.500 420 H GLY 54 HN GLY 54 23.668 4.403 5.409 421 1HA GLY 54 HA1 GLY 54 24.135 2.476 7.574 422 2HA GLY 54 HA2 GLY 54 24.410 2.164 5.870 423 H TYR 55 HN TYR 55 21.422 3.780 6.153 424 HA TYR 55 HA TYR 55 20.109 1.257 5.798 425 1HB TYR 55 HB2 TYR 55 19.752 1.615 8.105 426 2HB TYR 55 HB1 TYR 55 19.572 3.343 7.910 427 HD1 TYR 55 HD1 TYR 55 17.621 4.167 6.856 428 HD2 TYR 55 HD2 TYR 55 17.856 0.176 8.067 429 HE1 TYR 55 HE1 TYR 55 15.157 4.087 6.838 430 HE2 TYR 55 HE2 TYR 55 15.389 -0.019 8.063 431 HH TYR 55 HH TYR 55 13.391 2.424 6.696 432 H VAL 56 HN VAL 56 18.649 1.414 4.179 433 HA VAL 56 HA VAL 56 17.919 4.088 3.241 434 HB VAL 56 HB VAL 56 18.849 1.771 1.479 435 1HG1 VAL 56 1HG1 VAL 56 16.937 2.888 0.464 436 2HG1 VAL 56 3HG1 VAL 56 17.740 4.445 0.654 437 3HG1 VAL 56 2HG1 VAL 56 18.421 3.229 -0.425 438 1HG2 VAL 56 2HG2 VAL 56 20.661 3.139 2.482 439 2HG2 VAL 56 1HG2 VAL 56 20.576 3.290 0.721 440 3HG2 VAL 56 3HG2 VAL 56 19.931 4.568 1.739 441 H LEU 57 HN LEU 57 15.796 4.263 2.488 442 HA LEU 57 HA LEU 57 14.190 1.863 2.780 443 1HB LEU 57 HB2 LEU 57 13.605 3.154 4.636 444 2HB LEU 57 HB1 LEU 57 13.822 4.642 3.760 445 HG LEU 57 HG LEU 57 11.716 4.436 2.712 446 1HD1 LEU 57 2HD1 LEU 57 11.670 2.112 2.299 447 2HD1 LEU 57 1HD1 LEU 57 11.283 1.771 4.008 448 3HD1 LEU 57 3HD1 LEU 57 10.187 2.746 2.991 449 1HD2 LEU 57 3HD2 LEU 57 11.460 3.793 5.631 450 2HD2 LEU 57 2HD2 LEU 57 11.638 5.395 4.915 451 3HD2 LEU 57 1HD2 LEU 57 10.185 4.456 4.611 452 H PHE 58 HN PHE 58 13.537 1.185 0.980 453 HA PHE 58 HA PHE 58 12.709 3.008 -1.193 454 1HB PHE 58 HB2 PHE 58 14.303 0.488 -1.238 455 2HB PHE 58 HB1 PHE 58 13.155 0.748 -2.530 456 HD1 PHE 58 HD1 PHE 58 13.389 2.887 -3.861 457 HD2 PHE 58 HD2 PHE 58 16.437 1.353 -1.359 458 HE1 PHE 58 HE1 PHE 58 15.051 4.160 -5.140 459 HE2 PHE 58 HE2 PHE 58 18.112 2.623 -2.643 460 HZ PHE 58 HZ PHE 58 17.418 4.023 -4.534 461 H ARG 59 HN ARG 59 10.807 2.607 -2.110 462 HA ARG 59 HA ARG 59 9.425 0.190 -1.223 463 1HB ARG 59 HB2 ARG 59 7.277 1.401 -1.391 464 2HB ARG 59 HB1 ARG 59 8.348 2.045 -0.153 465 1HG ARG 59 HG2 ARG 59 8.949 3.886 -1.632 466 2HG ARG 59 HG1 ARG 59 7.902 3.171 -2.871 467 1HD ARG 59 HD2 ARG 59 6.944 5.051 -1.599 468 2HD ARG 59 HD1 ARG 59 5.954 3.598 -1.648 469 HE ARG 59 HE ARG 59 7.497 3.386 0.664 470 1HH1 ARG 59 1HH1 ARG 59 5.039 5.721 -0.421 471 2HH1 ARG 59 2HH1 ARG 59 4.420 5.932 1.153 472 1HH2 ARG 59 1HH2 ARG 59 6.626 3.637 2.671 473 2HH2 ARG 59 2HH2 ARG 59 5.336 4.743 2.967 474 H LYS 60 HN LYS 60 8.586 -1.018 -2.666 475 HA LYS 60 HA LYS 60 8.477 -0.112 -5.448 476 1HB LYS 60 HB2 LYS 60 10.221 -1.701 -5.239 477 2HB LYS 60 HB1 LYS 60 9.225 -2.800 -4.280 478 1HG LYS 60 HG2 LYS 60 9.340 -3.750 -6.417 479 2HG LYS 60 HG1 LYS 60 7.777 -2.939 -6.395 480 1HD LYS 60 HD2 LYS 60 8.791 -2.411 -8.494 481 2HD LYS 60 HD1 LYS 60 8.940 -0.968 -7.487 482 1HE LYS 60 HE2 LYS 60 11.160 -1.275 -7.083 483 2HE LYS 60 HE1 LYS 60 11.200 -2.937 -7.584 484 1HZ LYS 60 HZ2 LYS 60 10.642 -2.153 -9.875 485 2HZ LYS 60 HZ1 LYS 60 10.740 -0.580 -9.367 486 3HZ LYS 60 HZ3 LYS 60 12.108 -1.574 -9.350 487 H GLN 61 HN GLN 61 6.495 -0.019 -6.061 488 HA GLN 61 HA GLN 61 4.508 -1.524 -4.601 489 1HB GLN 61 HB2 GLN 61 3.154 0.151 -6.290 490 2HB GLN 61 HB1 GLN 61 3.384 0.484 -4.608 491 1HG GLN 61 HG2 GLN 61 5.161 1.367 -6.851 492 2HG GLN 61 HG1 GLN 61 3.829 2.261 -6.010 493 1HE2 GLN 61 1HE2 GLN 61 4.471 1.681 -3.437 494 2HE2 GLN 61 2HE2 GLN 61 5.976 2.408 -3.003 495 H MET 62 HN MET 62 2.813 -2.520 -5.806 496 HA MET 62 HA MET 62 3.639 -3.280 -8.466 497 1HB MET 62 HB2 MET 62 3.371 -5.679 -7.961 498 2HB MET 62 HB1 MET 62 4.678 -4.927 -7.075 499 1HG MET 62 HG2 MET 62 3.180 -4.772 -5.097 500 2HG MET 62 HG1 MET 62 1.979 -5.696 -6.001 501 1HE MET 62 HE3 MET 62 5.569 -5.701 -4.426 502 2HE MET 62 HE2 MET 62 6.140 -7.325 -4.751 503 3HE MET 62 HE1 MET 62 5.944 -6.180 -6.074 504 H ASP 63 HN ASP 63 1.914 -4.823 -9.396 505 HA ASP 63 HA ASP 63 -0.463 -3.159 -9.328 506 1HB ASP 63 HB2 ASP 63 0.637 -3.561 -11.451 507 2HB ASP 63 HB1 ASP 63 0.442 -5.293 -11.252 508 H ASP 64 HN ASP 64 0.457 -6.231 -8.222 509 HA ASP 64 HA ASP 64 -2.291 -7.215 -8.169 510 1HB ASP 64 HB2 ASP 64 -0.508 -8.799 -8.778 511 2HB ASP 64 HB1 ASP 64 0.288 -8.512 -7.239 512 H ILE 65 HN ILE 65 -3.096 -8.131 -6.046 513 HA ILE 65 HA ILE 65 -2.486 -6.136 -4.001 514 HB ILE 65 HB ILE 65 -4.558 -6.724 -2.864 515 1HG1 ILE 65 2HG1 ILE 65 -5.068 -8.561 -5.198 516 2HG1 ILE 65 1HG1 ILE 65 -4.710 -9.073 -3.559 517 1HG2 ILE 65 3HG2 ILE 65 -4.892 -5.984 -5.745 518 2HG2 ILE 65 2HG2 ILE 65 -6.151 -5.817 -4.517 519 3HG2 ILE 65 1HG2 ILE 65 -4.639 -4.915 -4.369 520 1HD1 ILE 65 1HD1 ILE 65 -7.158 -7.537 -4.415 521 2HD1 ILE 65 3HD1 ILE 65 -7.097 -9.258 -4.026 522 3HD1 ILE 65 2HD1 ILE 65 -6.791 -8.057 -2.771 523 H SER 66 HN SER 66 -2.873 -7.005 -1.693 524 HA SER 66 HA SER 66 -0.712 -8.606 -1.107 525 1HB SER 66 HB2 SER 66 -2.956 -8.269 0.757 526 2HB SER 66 HB1 SER 66 -1.244 -7.981 1.010 527 HG SER 66 HG SER 66 -2.835 -6.097 0.711 528 HA PRO 67 HA PRO 67 -2.348 -12.688 -1.724 529 1HB PRO 67 HB2 PRO 67 -0.864 -13.980 0.220 530 2HB PRO 67 HB1 PRO 67 -0.312 -13.646 -1.421 531 1HG PRO 67 HG2 PRO 67 0.255 -12.197 1.109 532 2HG PRO 67 HG1 PRO 67 1.313 -12.466 -0.288 533 1HD PRO 67 HD2 PRO 67 0.104 -10.102 0.211 534 2HD PRO 67 HD1 PRO 67 0.414 -10.641 -1.442 535 H LEU 68 HN LEU 68 -1.986 -11.791 1.716 536 HA LEU 68 HA LEU 68 -3.975 -13.654 2.527 537 1HB LEU 68 HB2 LEU 68 -1.945 -12.562 3.840 538 2HB LEU 68 HB1 LEU 68 -3.114 -11.318 4.208 539 HG LEU 68 HG LEU 68 -2.824 -12.997 6.026 540 1HD1 LEU 68 2HD1 LEU 68 -4.943 -11.765 5.856 541 2HD1 LEU 68 1HD1 LEU 68 -5.577 -13.045 4.819 542 3HD1 LEU 68 3HD1 LEU 68 -5.166 -13.396 6.494 543 1HD2 LEU 68 1HD2 LEU 68 -2.396 -14.911 4.560 544 2HD2 LEU 68 3HD2 LEU 68 -3.658 -15.245 5.749 545 3HD2 LEU 68 2HD2 LEU 68 -4.101 -14.902 4.082 546 H SER 69 HN SER 69 -3.886 -10.306 1.607 547 HA SER 69 HA SER 69 -6.459 -9.657 2.491 548 1HB SER 69 HB2 SER 69 -4.922 -8.466 0.196 549 2HB SER 69 HB1 SER 69 -6.320 -7.750 0.993 550 HG SER 69 HG SER 69 -4.637 -6.834 1.955 551 H LYS 70 HN LYS 70 -5.349 -11.426 -0.306 552 HA LYS 70 HA LYS 70 -7.743 -11.312 -1.802 553 1HB LYS 70 HB2 LYS 70 -5.690 -13.506 -1.682 554 2HB LYS 70 HB1 LYS 70 -6.868 -13.250 -2.964 555 1HG LYS 70 HG2 LYS 70 -5.852 -11.146 -3.507 556 2HG LYS 70 HG1 LYS 70 -4.696 -11.348 -2.191 557 1HD LYS 70 HD2 LYS 70 -3.865 -13.371 -3.267 558 2HD LYS 70 HD1 LYS 70 -4.976 -13.101 -4.611 559 1HE LYS 70 HE2 LYS 70 -3.961 -10.807 -4.771 560 2HE LYS 70 HE1 LYS 70 -2.724 -11.379 -3.679 561 1HZ LYS 70 HZ1 LYS 70 -2.124 -13.115 -5.246 562 2HZ LYS 70 HZ3 LYS 70 -3.301 -12.572 -6.332 563 3HZ LYS 70 HZ2 LYS 70 -1.984 -11.590 -5.932 564 H VAL 71 HN VAL 71 -6.652 -13.336 0.862 565 HA VAL 71 HA VAL 71 -8.779 -15.264 0.546 566 HB VAL 71 HB VAL 71 -7.907 -16.422 2.389 567 1HG1 VAL 71 2HG1 VAL 71 -6.254 -16.392 0.665 568 2HG1 VAL 71 1HG1 VAL 71 -5.532 -14.935 1.351 569 3HG1 VAL 71 3HG1 VAL 71 -5.483 -16.447 2.253 570 1HG2 VAL 71 3HG2 VAL 71 -6.743 -13.859 3.449 571 2HG2 VAL 71 2HG2 VAL 71 -8.112 -14.744 4.112 572 3HG2 VAL 71 1HG2 VAL 71 -6.495 -15.445 4.193 573 H ASN 72 HN ASN 72 -8.186 -12.401 2.155 574 HA ASN 72 HA ASN 72 -10.527 -12.302 3.812 575 1HB ASN 72 HB2 ASN 72 -8.556 -11.139 4.499 576 2HB ASN 72 HB1 ASN 72 -8.414 -10.332 2.956 577 1HD2 ASN 72 1HD2 ASN 72 -8.264 -8.372 3.944 578 2HD2 ASN 72 2HD2 ASN 72 -9.622 -7.579 4.658 579 H GLY 73 HN GLY 73 -9.540 -10.091 1.189 580 1HA GLY 73 HA1 GLY 73 -11.795 -10.520 -0.433 581 2HA GLY 73 HA2 GLY 73 -10.615 -9.232 -0.574 582 H TYR 74 HN TYR 74 -11.102 -7.956 1.982 583 HA TYR 74 HA TYR 74 -13.876 -7.179 1.725 584 1HB TYR 74 HB2 TYR 74 -12.273 -7.822 4.171 585 2HB TYR 74 HB1 TYR 74 -13.517 -6.587 4.263 586 HD1 TYR 74 HD1 TYR 74 -15.599 -7.248 4.935 587 HD2 TYR 74 HD2 TYR 74 -13.109 -10.109 3.056 588 HE1 TYR 74 HE1 TYR 74 -17.310 -8.962 5.317 589 HE2 TYR 74 HE2 TYR 74 -14.802 -11.834 3.422 590 HH TYR 74 HH TYR 74 -16.674 -12.274 4.892 591 H ILE 75 HN ILE 75 -14.254 -5.178 1.783 592 HA ILE 75 HA ILE 75 -12.138 -3.210 2.302 593 HB ILE 75 HB ILE 75 -14.043 -3.533 0.085 594 1HG1 ILE 75 2HG1 ILE 75 -11.267 -2.489 0.152 595 2HG1 ILE 75 1HG1 ILE 75 -11.726 -4.176 -0.165 596 1HG2 ILE 75 1HG2 ILE 75 -12.933 -0.803 0.926 597 2HG2 ILE 75 3HG2 ILE 75 -13.768 -1.100 -0.599 598 3HG2 ILE 75 2HG2 ILE 75 -14.635 -1.263 0.928 599 1HD1 ILE 75 2HD1 ILE 75 -12.358 -1.721 -1.814 600 2HD1 ILE 75 1HD1 ILE 75 -11.184 -2.977 -2.225 601 3HD1 ILE 75 3HD1 ILE 75 -12.907 -3.356 -2.176 602 H GLY 76 HN GLY 76 -12.844 -1.480 3.583 603 1HA GLY 76 HA1 GLY 76 -14.470 -1.705 5.516 604 2HA GLY 76 HA2 GLY 76 -15.674 -1.559 4.249 605 H VAL 77 HN VAL 77 -16.556 0.282 4.689 606 HA VAL 77 HA VAL 77 -14.684 2.478 4.804 607 HB VAL 77 HB VAL 77 -16.298 4.033 4.065 608 1HG1 VAL 77 3HG1 VAL 77 -16.089 1.682 2.246 609 2HG1 VAL 77 2HG1 VAL 77 -16.685 3.284 1.760 610 3HG1 VAL 77 1HG1 VAL 77 -15.041 3.087 2.383 611 1HG2 VAL 77 1HG2 VAL 77 -18.242 1.756 4.007 612 2HG2 VAL 77 3HG2 VAL 77 -18.260 3.237 4.988 613 3HG2 VAL 77 2HG2 VAL 77 -18.505 3.334 3.233 614 H SER 78 HN SER 78 -14.874 3.993 6.148 615 HA SER 78 HA SER 78 -16.376 3.365 8.570 616 1HB SER 78 HB2 SER 78 -14.455 5.653 8.058 617 2HB SER 78 HB1 SER 78 -14.988 5.034 9.624 618 HG SER 78 HG SER 78 -14.062 2.984 8.365 619 H ASP 79 HN ASP 79 -17.456 5.514 9.525 620 HA ASP 79 HA ASP 79 -19.720 6.019 8.069 621 1HB ASP 79 HB2 ASP 79 -19.594 6.476 10.438 622 2HB ASP 79 HB1 ASP 79 -18.461 7.788 10.147 623 H ASN 80 HN ASN 80 -16.776 7.827 7.869 624 HA ASN 80 HA ASN 80 -17.959 9.960 6.272 625 1HB ASN 80 HB2 ASN 80 -15.184 9.493 7.322 626 2HB ASN 80 HB1 ASN 80 -15.498 10.720 6.107 627 1HD2 ASN 80 1HD2 ASN 80 -15.984 9.759 9.387 628 2HD2 ASN 80 2HD2 ASN 80 -16.542 11.291 9.952 629 H GLY 81 HN GLY 81 -17.546 7.027 5.433 630 1HA GLY 81 HA1 GLY 81 -17.107 7.547 2.695 631 2HA GLY 81 HA2 GLY 81 -17.284 5.966 3.454 632 H VAL 82 HN VAL 82 -15.266 6.165 5.255 633 HA VAL 82 HA VAL 82 -12.809 6.794 3.912 634 HB VAL 82 HB VAL 82 -13.167 5.101 6.406 635 1HG1 VAL 82 2HG1 VAL 82 -10.785 6.610 5.341 636 2HG1 VAL 82 1HG1 VAL 82 -10.846 5.759 6.885 637 3HG1 VAL 82 3HG1 VAL 82 -10.976 4.858 5.372 638 1HG2 VAL 82 3HG2 VAL 82 -14.178 7.370 6.557 639 2HG2 VAL 82 2HG2 VAL 82 -12.849 7.122 7.700 640 3HG2 VAL 82 1HG2 VAL 82 -12.597 8.045 6.213 641 H ILE 83 HN ILE 83 -11.903 5.642 2.541 642 HA ILE 83 HA ILE 83 -13.059 3.195 1.529 643 HB ILE 83 HB ILE 83 -10.847 4.937 0.341 644 1HG1 ILE 83 2HG1 ILE 83 -12.814 6.259 0.613 645 2HG1 ILE 83 1HG1 ILE 83 -12.711 5.811 -1.091 646 1HG2 ILE 83 2HG2 ILE 83 -12.593 2.833 -0.976 647 2HG2 ILE 83 1HG2 ILE 83 -11.473 3.917 -1.828 648 3HG2 ILE 83 3HG2 ILE 83 -10.860 2.728 -0.677 649 1HD1 ILE 83 2HD1 ILE 83 -14.361 4.035 -0.703 650 2HD1 ILE 83 1HD1 ILE 83 -14.434 4.523 0.992 651 3HD1 ILE 83 3HD1 ILE 83 -15.002 5.624 -0.270 652 H SER 84 HN SER 84 -11.917 2.531 3.800 653 HA SER 84 HA SER 84 -9.089 1.856 3.283 654 1HB SER 84 HB2 SER 84 -9.153 1.383 5.800 655 2HB SER 84 HB1 SER 84 -9.329 3.062 5.280 656 HG SER 84 HG SER 84 -11.685 1.623 5.463 657 H THR 85 HN THR 85 -8.303 -0.292 3.577 658 HA THR 85 HA THR 85 -10.412 -2.230 3.287 659 HB THR 85 HB THR 85 -8.562 -3.868 2.789 660 HG1 THR 85 HG1 THR 85 -6.572 -2.514 2.162 661 1HG2 THR 85 2HG2 THR 85 -8.737 -1.357 1.125 662 2HG2 THR 85 1HG2 THR 85 -7.921 -2.845 0.609 663 3HG2 THR 85 3HG2 THR 85 -9.637 -2.867 0.960 664 H PHE 86 HN PHE 86 -10.699 -3.978 4.622 665 HA PHE 86 HA PHE 86 -9.302 -3.857 7.145 666 1HB PHE 86 HB2 PHE 86 -12.282 -4.057 6.716 667 2HB PHE 86 HB1 PHE 86 -11.532 -4.608 8.193 668 HD1 PHE 86 HD1 PHE 86 -11.391 -3.191 9.935 669 HD2 PHE 86 HD2 PHE 86 -11.797 -1.611 6.050 670 HE1 PHE 86 HE1 PHE 86 -11.743 -0.949 10.915 671 HE2 PHE 86 HE2 PHE 86 -12.146 0.654 6.993 672 HZ PHE 86 HZ PHE 86 -12.121 0.979 9.429 673 H HIS 87 HN HIS 87 -9.819 -6.024 8.334 674 HA HIS 87 HA HIS 87 -10.111 -8.187 6.379 675 1HB HIS 87 HB2 HIS 87 -7.962 -8.160 7.710 676 2HB HIS 87 HB1 HIS 87 -8.921 -8.315 9.178 677 HD1 HIS 87 HD1 HIS 87 -7.308 -10.322 6.547 678 HD2 HIS 87 HD2 HIS 87 -10.335 -10.850 9.353 679 HE1 HIS 87 HE1 HIS 87 -7.675 -12.809 6.727 680 H GLY 88 HN GLY 88 -12.105 -8.941 6.352 681 1HA GLY 88 HA1 GLY 88 -13.475 -9.547 8.833 682 2HA GLY 88 HA2 GLY 88 -14.039 -9.917 7.204 683 H ARG 89 HN ARG 89 -15.803 -8.962 9.031 684 HA ARG 89 HA ARG 89 -17.021 -6.775 7.813 685 1HB ARG 89 HB2 ARG 89 -17.321 -7.688 10.673 686 2HB ARG 89 HB1 ARG 89 -18.404 -6.573 9.867 687 1HG ARG 89 HG2 ARG 89 -17.928 -9.386 8.923 688 2HG ARG 89 HG1 ARG 89 -19.209 -8.939 10.043 689 1HD ARG 89 HD2 ARG 89 -20.233 -7.535 8.404 690 2HD ARG 89 HD1 ARG 89 -18.936 -7.731 7.253 691 HE ARG 89 HE ARG 89 -20.487 -10.020 8.204 692 1HH1 ARG 89 1HH1 ARG 89 -19.362 -7.984 5.519 693 2HH1 ARG 89 2HH1 ARG 89 -20.016 -8.989 4.313 694 1HH2 ARG 89 1HH2 ARG 89 -21.381 -11.390 6.500 695 2HH2 ARG 89 2HH2 ARG 89 -21.165 -10.938 4.869 696 HA PRO 90 HA PRO 90 -14.319 -3.611 9.378 697 1HB PRO 90 HB2 PRO 90 -15.292 -1.609 7.849 698 2HB PRO 90 HB1 PRO 90 -14.183 -2.845 7.246 699 1HG PRO 90 HG2 PRO 90 -17.128 -2.607 6.853 700 2HG PRO 90 HG1 PRO 90 -15.892 -3.222 5.753 701 1HD PRO 90 HD2 PRO 90 -17.576 -4.770 7.282 702 2HD PRO 90 HD1 PRO 90 -16.046 -5.316 6.576 703 H GLU 91 HN GLU 91 -15.327 -3.725 11.373 704 HA GLU 91 HA GLU 91 -17.457 -1.793 11.851 705 1HB GLU 91 HB2 GLU 91 -17.521 -2.780 14.121 706 2HB GLU 91 HB1 GLU 91 -17.653 -4.025 12.890 707 1HG GLU 91 HG2 GLU 91 -15.289 -4.514 13.153 708 2HG GLU 91 HG1 GLU 91 -15.207 -3.284 14.427 709 HA PRO 92 HA PRO 92 -14.552 1.241 13.228 710 1HB PRO 92 HB2 PRO 92 -15.789 2.301 15.455 711 2HB PRO 92 HB1 PRO 92 -16.188 2.746 13.792 712 1HG PRO 92 HG2 PRO 92 -17.637 1.006 15.692 713 2HG PRO 92 HG1 PRO 92 -18.256 1.949 14.331 714 1HD PRO 92 HD2 PRO 92 -17.810 -0.817 14.379 715 2HD PRO 92 HD1 PRO 92 -18.069 0.166 12.908 716 H ALA 93 HN ALA 93 -15.450 -1.280 15.262 717 HA ALA 93 HA ALA 93 -13.347 -0.742 17.202 718 1HB ALA 93 HB2 ALA 93 -15.538 -1.459 18.029 719 2HB ALA 93 HB3 ALA 93 -14.280 -2.623 18.452 720 3HB ALA 93 HB1 ALA 93 -15.391 -2.963 17.122 721 H SER 94 HN SER 94 -13.359 -1.878 14.215 722 HA SER 94 HA SER 94 -11.492 -4.075 14.743 723 1HB SER 94 HB2 SER 94 -13.328 -4.555 13.136 724 2HB SER 94 HB1 SER 94 -12.793 -3.220 12.118 725 HG SER 94 HG SER 94 -11.830 -5.785 12.335 726 H GLU 95 HN GLU 95 -9.749 -3.955 12.741 727 HA GLU 95 HA GLU 95 -8.464 -1.356 13.166 728 1HB GLU 95 HB2 GLU 95 -7.249 -4.030 12.553 729 2HB GLU 95 HB1 GLU 95 -6.350 -2.528 12.629 730 1HG GLU 95 HG2 GLU 95 -6.953 -2.309 14.986 731 2HG GLU 95 HG1 GLU 95 -7.827 -3.841 14.889 732 HA PRO 96 HA PRO 96 -8.831 -1.058 8.711 733 1HB PRO 96 HB2 PRO 96 -7.880 1.490 8.549 734 2HB PRO 96 HB1 PRO 96 -9.561 1.115 8.932 735 1HG PRO 96 HG2 PRO 96 -7.369 1.984 10.736 736 2HG PRO 96 HG1 PRO 96 -9.113 2.286 10.828 737 1HD PRO 96 HD2 PRO 96 -7.721 0.420 12.332 738 2HD PRO 96 HD1 PRO 96 -9.474 0.423 12.065 739 H ILE 97 HN ILE 97 -7.300 -1.526 7.275 740 HA ILE 97 HA ILE 97 -4.693 -2.125 8.248 741 HB ILE 97 HB ILE 97 -5.802 -2.226 5.426 742 1HG1 ILE 97 2HG1 ILE 97 -5.513 -4.483 7.425 743 2HG1 ILE 97 1HG1 ILE 97 -6.991 -3.548 7.238 744 1HG2 ILE 97 1HG2 ILE 97 -3.362 -3.566 6.624 745 2HG2 ILE 97 3HG2 ILE 97 -3.986 -3.835 4.996 746 3HG2 ILE 97 2HG2 ILE 97 -3.348 -2.253 5.445 747 1HD1 ILE 97 2HD1 ILE 97 -5.696 -5.144 5.035 748 2HD1 ILE 97 1HD1 ILE 97 -7.062 -5.666 6.050 749 3HD1 ILE 97 3HD1 ILE 97 -7.239 -4.263 5.010 750 H GLN 98 HN GLN 98 -6.047 0.390 6.236 751 HA GLN 98 HA GLN 98 -3.879 2.123 6.764 752 1HB GLN 98 HB2 GLN 98 -3.063 2.499 4.532 753 2HB GLN 98 HB1 GLN 98 -3.024 0.779 4.809 754 1HG GLN 98 HG2 GLN 98 -4.785 2.363 2.975 755 2HG GLN 98 HG1 GLN 98 -3.746 0.986 2.622 756 1HE2 GLN 98 1HE2 GLN 98 -4.403 -0.826 3.901 757 2HE2 GLN 98 2HE2 GLN 98 -6.070 -1.361 3.785 758 H SER 99 HN SER 99 -4.575 4.055 4.693 759 HA SER 99 HA SER 99 -7.384 3.883 4.573 760 1HB SER 99 HB2 SER 99 -7.038 5.234 6.599 761 2HB SER 99 HB1 SER 99 -6.013 6.351 5.702 762 HG SER 99 HG SER 99 -7.943 7.277 5.778 763 H PHE 100 HN PHE 100 -8.246 4.990 2.745 764 HA PHE 100 HA PHE 100 -6.203 6.015 0.941 765 1HB PHE 100 HB2 PHE 100 -8.801 4.643 0.271 766 2HB PHE 100 HB1 PHE 100 -7.821 5.482 -0.928 767 HD1 PHE 100 HD1 PHE 100 -5.409 4.717 -1.204 768 HD2 PHE 100 HD2 PHE 100 -8.360 2.427 0.815 769 HE1 PHE 100 HE1 PHE 100 -4.045 2.706 -1.510 770 HE2 PHE 100 HE2 PHE 100 -6.999 0.401 0.514 771 HZ PHE 100 HZ PHE 100 -4.838 0.540 -0.649 772 H PHE 101 HN PHE 101 -9.770 6.519 1.165 773 HA PHE 101 HA PHE 101 -9.289 9.343 1.419 774 1HB PHE 101 HB2 PHE 101 -9.089 8.780 -1.071 775 2HB PHE 101 HB1 PHE 101 -10.780 8.310 -1.020 776 HD1 PHE 101 HD1 PHE 101 -8.644 11.196 -0.018 777 HD2 PHE 101 HD2 PHE 101 -12.293 9.885 -1.762 778 HE1 PHE 101 HE1 PHE 101 -9.265 13.527 -0.469 779 HE2 PHE 101 HE2 PHE 101 -12.913 12.228 -2.205 780 HZ PHE 101 HZ PHE 101 -11.405 14.040 -1.559 781 H GLN 102 HN GLN 102 -11.705 10.403 1.132 782 HA GLN 102 HA GLN 102 -13.610 8.737 2.605 783 1HB GLN 102 HB2 GLN 102 -12.647 11.515 3.175 784 2HB GLN 102 HB1 GLN 102 -14.242 10.977 3.687 785 1HG GLN 102 HG2 GLN 102 -13.405 9.388 5.068 786 2HG GLN 102 HG1 GLN 102 -11.770 9.434 4.439 787 1HE2 GLN 102 1HE2 GLN 102 -13.780 12.257 5.190 788 2HE2 GLN 102 2HE2 GLN 102 -12.865 12.785 6.539 789 H ILE 103 HN ILE 103 -15.610 8.830 1.879 790 HA ILE 103 HA ILE 103 -16.447 10.970 0.045 791 HB ILE 103 HB ILE 103 -17.489 9.372 -1.571 792 1HG1 ILE 103 2HG1 ILE 103 -16.347 7.180 0.172 793 2HG1 ILE 103 1HG1 ILE 103 -18.025 7.682 0.227 794 1HG2 ILE 103 2HG2 ILE 103 -14.621 8.707 -1.043 795 2HG2 ILE 103 1HG2 ILE 103 -15.553 8.255 -2.479 796 3HG2 ILE 103 3HG2 ILE 103 -15.295 9.950 -2.103 797 1HD1 ILE 103 3HD1 ILE 103 -18.242 7.142 -2.124 798 2HD1 ILE 103 2HD1 ILE 103 -16.593 6.490 -2.119 799 3HD1 ILE 103 1HD1 ILE 103 -17.859 5.744 -1.117 800 H ASP 104 HN ASP 104 -18.757 11.231 0.018 801 HA ASP 104 HA ASP 104 -19.872 10.572 2.566 802 1HB ASP 104 HB2 ASP 104 -20.524 12.462 0.446 803 2HB ASP 104 HB1 ASP 104 -21.917 11.807 1.294 804 H LEU 105 HN LEU 105 -20.918 8.880 3.006 805 HA LEU 105 HA LEU 105 -21.779 7.125 0.997 806 1HB LEU 105 HB2 LEU 105 -22.468 7.129 3.911 807 2HB LEU 105 HB1 LEU 105 -22.881 5.851 2.792 808 HG LEU 105 HG LEU 105 -20.214 6.596 3.909 809 1HD1 LEU 105 3HD1 LEU 105 -21.818 4.097 3.642 810 2HD1 LEU 105 2HD1 LEU 105 -20.192 4.167 4.328 811 3HD1 LEU 105 1HD1 LEU 105 -21.537 5.024 5.112 812 1HD2 LEU 105 2HD2 LEU 105 -20.667 4.873 1.451 813 2HD2 LEU 105 1HD2 LEU 105 -19.850 6.433 1.483 814 3HD2 LEU 105 3HD2 LEU 105 -19.141 5.055 2.318 815 H GLU 106 HN GLU 106 -23.283 9.629 2.799 816 HA GLU 106 HA GLU 106 -25.948 9.081 2.110 817 1HB GLU 106 HB2 GLU 106 -26.330 11.508 2.638 818 2HB GLU 106 HB1 GLU 106 -25.534 10.577 3.903 819 1HG GLU 106 HG2 GLU 106 -23.424 11.539 3.397 820 2HG GLU 106 HG1 GLU 106 -24.054 12.278 1.930 821 H ARG 107 HN ARG 107 -23.320 10.219 0.214 822 HA ARG 107 HA ARG 107 -25.154 11.336 -1.735 823 1HB ARG 107 HB2 ARG 107 -23.475 12.687 -2.408 824 2HB ARG 107 HB1 ARG 107 -22.628 12.164 -0.967 825 1HG ARG 107 HG2 ARG 107 -21.492 10.438 -2.276 826 2HG ARG 107 HG1 ARG 107 -22.359 10.981 -3.710 827 1HD ARG 107 HD2 ARG 107 -20.299 12.500 -2.115 828 2HD ARG 107 HD1 ARG 107 -20.169 11.950 -3.784 829 HE ARG 107 HE ARG 107 -22.307 13.796 -3.188 830 1HH1 ARG 107 1HH1 ARG 107 -18.997 13.482 -4.505 831 2HH1 ARG 107 2HH1 ARG 107 -18.998 15.025 -5.174 832 1HH2 ARG 107 1HH2 ARG 107 -22.260 15.904 -4.116 833 2HH2 ARG 107 2HH2 ARG 107 -20.905 16.460 -4.962 834 H LEU 108 HN LEU 108 -23.450 8.475 -1.045 835 HA LEU 108 HA LEU 108 -23.307 7.182 -3.574 836 1HB LEU 108 HB2 LEU 108 -23.527 6.214 -0.780 837 2HB LEU 108 HB1 LEU 108 -23.990 5.091 -2.036 838 HG LEU 108 HG LEU 108 -21.668 4.698 -1.386 839 1HD1 LEU 108 2HD1 LEU 108 -22.258 4.186 -3.512 840 2HD1 LEU 108 1HD1 LEU 108 -21.778 5.788 -4.072 841 3HD1 LEU 108 3HD1 LEU 108 -20.573 4.703 -3.362 842 1HD2 LEU 108 1HD2 LEU 108 -21.296 7.581 -1.982 843 2HD2 LEU 108 3HD2 LEU 108 -20.988 6.620 -0.505 844 3HD2 LEU 108 2HD2 LEU 108 -20.012 6.349 -1.946 845 H GLU 109 HN GLU 109 -24.584 5.496 -4.445 846 HA GLU 109 HA GLU 109 -27.189 6.380 -4.997 847 1HB GLU 109 HB2 GLU 109 -26.105 3.616 -5.466 848 2HB GLU 109 HB1 GLU 109 -27.394 4.407 -6.362 849 1HG GLU 109 HG2 GLU 109 -24.462 5.053 -6.358 850 2HG GLU 109 HG1 GLU 109 -25.375 4.373 -7.686 851 H SER 110 HN SER 110 -26.473 3.103 -3.696 852 HA SER 110 HA SER 110 -27.958 3.599 -1.332 853 1HB SER 110 HB2 SER 110 -29.800 3.258 -3.053 854 2HB SER 110 HB1 SER 110 -29.215 1.609 -3.237 855 HG SER 110 HG SER 110 -30.275 2.843 -0.948 856 H HIS 111 HN HIS 111 -27.596 0.526 -3.153 857 HA HIS 111 HA HIS 111 -26.680 -0.748 -0.774 858 1HB HIS 111 HB2 HIS 111 -26.460 -2.818 -2.095 859 2HB HIS 111 HB1 HIS 111 -28.011 -2.044 -2.375 860 HD1 HIS 111 HD1 HIS 111 -24.661 -2.665 -4.145 861 HD2 HIS 111 HD2 HIS 111 -28.544 -1.391 -4.984 862 HE1 HIS 111 HE1 HIS 111 -24.834 -2.551 -6.617 863 H MET 112 HN MET 112 -25.054 0.722 -3.317 864 HA MET 112 HA MET 112 -22.531 -0.375 -3.292 865 1HB MET 112 HB2 MET 112 -23.516 2.413 -3.594 866 2HB MET 112 HB1 MET 112 -21.787 2.096 -3.594 867 1HG MET 112 HG2 MET 112 -23.717 0.705 -5.421 868 2HG MET 112 HG1 MET 112 -22.904 2.216 -5.843 869 1HE MET 112 HE3 MET 112 -20.380 2.508 -6.037 870 2HE MET 112 HE2 MET 112 -20.047 1.783 -4.469 871 3HE MET 112 HE1 MET 112 -19.171 1.221 -5.889 872 H GLN 113 HN GLN 113 -23.616 2.237 -1.142 873 HA GLN 113 HA GLN 113 -21.199 2.210 0.330 874 1HB GLN 113 HB2 GLN 113 -22.434 3.616 1.960 875 2HB GLN 113 HB1 GLN 113 -22.447 4.282 0.328 876 1HG GLN 113 HG2 GLN 113 -24.640 4.119 0.192 877 2HG GLN 113 HG1 GLN 113 -24.556 2.505 0.952 878 1HE2 GLN 113 1HE2 GLN 113 -25.007 5.882 1.541 879 2HE2 GLN 113 2HE2 GLN 113 -25.450 5.732 3.198 880 H LYS 114 HN LYS 114 -24.265 0.636 0.639 881 HA LYS 114 HA LYS 114 -23.925 -0.225 3.304 882 1HB LYS 114 HB2 LYS 114 -25.659 -1.415 1.153 883 2HB LYS 114 HB1 LYS 114 -25.756 -1.802 2.863 884 1HG LYS 114 HG2 LYS 114 -26.259 0.614 3.290 885 2HG LYS 114 HG1 LYS 114 -26.383 0.820 1.539 886 1HD LYS 114 HD2 LYS 114 -28.097 -0.951 1.491 887 2HD LYS 114 HD1 LYS 114 -27.969 -1.044 3.252 888 1HE LYS 114 HE2 LYS 114 -28.683 1.312 3.408 889 2HE LYS 114 HE1 LYS 114 -28.857 1.355 1.658 890 1HZ LYS 114 HZ3 LYS 114 -30.367 -0.453 3.460 891 2HZ LYS 114 HZ2 LYS 114 -30.993 0.943 2.749 892 3HZ LYS 114 HZ1 LYS 114 -30.531 -0.362 1.799 893 H ASN 115 HN ASN 115 -22.955 -1.569 0.237 894 HA ASN 115 HA ASN 115 -22.137 -4.039 1.393 895 1HB ASN 115 HB2 ASN 115 -21.540 -2.785 -1.291 896 2HB ASN 115 HB1 ASN 115 -20.840 -4.329 -0.799 897 1HD2 ASN 115 1HD2 ASN 115 -22.596 -3.867 -3.014 898 2HD2 ASN 115 2HD2 ASN 115 -24.018 -4.793 -2.716 899 H LEU 116 HN LEU 116 -20.734 -0.961 0.911 900 HA LEU 116 HA LEU 116 -18.068 -1.721 1.589 901 1HB LEU 116 HB2 LEU 116 -19.378 0.979 1.902 902 2HB LEU 116 HB1 LEU 116 -17.662 0.619 1.846 903 HG LEU 116 HG LEU 116 -19.546 0.214 -0.476 904 1HD1 LEU 116 2HD1 LEU 116 -19.341 2.580 0.150 905 2HD1 LEU 116 1HD1 LEU 116 -17.594 2.453 -0.007 906 3HD1 LEU 116 3HD1 LEU 116 -18.630 2.218 -1.418 907 1HD2 LEU 116 3HD2 LEU 116 -17.576 -1.214 -0.524 908 2HD2 LEU 116 2HD2 LEU 116 -17.491 0.026 -1.778 909 3HD2 LEU 116 1HD2 LEU 116 -16.533 0.193 -0.304 910 H LEU 117 HN LEU 117 -20.925 -0.686 3.383 911 HA LEU 117 HA LEU 117 -19.877 -0.281 5.924 912 1HB LEU 117 HB2 LEU 117 -22.536 -1.518 5.229 913 2HB LEU 117 HB1 LEU 117 -22.098 -0.859 6.786 914 HG LEU 117 HG LEU 117 -22.431 0.676 4.224 915 1HD1 LEU 117 1HD1 LEU 117 -24.547 -0.081 5.225 916 2HD1 LEU 117 3HD1 LEU 117 -24.072 0.659 6.754 917 3HD1 LEU 117 2HD1 LEU 117 -24.357 1.662 5.332 918 1HD2 LEU 117 3HD2 LEU 117 -21.692 1.611 6.987 919 2HD2 LEU 117 2HD2 LEU 117 -20.702 1.642 5.516 920 3HD2 LEU 117 1HD2 LEU 117 -22.140 2.653 5.624 921 H LYS 118 HN LYS 118 -21.224 -3.295 4.574 922 HA LYS 118 HA LYS 118 -20.153 -4.595 6.892 923 1HB LYS 118 HB2 LYS 118 -21.270 -6.696 6.083 924 2HB LYS 118 HB1 LYS 118 -22.288 -5.345 6.544 925 1HG LYS 118 HG2 LYS 118 -23.161 -6.471 4.660 926 2HG LYS 118 HG1 LYS 118 -22.650 -4.815 4.277 927 1HD LYS 118 HD2 LYS 118 -20.728 -5.590 3.105 928 2HD LYS 118 HD1 LYS 118 -20.969 -7.233 3.686 929 1HE LYS 118 HE2 LYS 118 -22.953 -5.837 1.904 930 2HE LYS 118 HE1 LYS 118 -21.593 -6.756 1.263 931 1HZ LYS 118 HZ1 LYS 118 -23.764 -7.858 2.998 932 2HZ LYS 118 HZ3 LYS 118 -23.582 -8.064 1.335 933 3HZ LYS 118 HZ2 LYS 118 -22.447 -8.714 2.375 934 H GLY 119 HN GLY 119 -19.025 -4.041 3.769 935 1HA GLY 119 HA1 GLY 119 -16.882 -5.854 4.444 936 2HA GLY 119 HA2 GLY 119 -16.792 -4.487 3.337 937 H ILE 120 HN ILE 120 -16.434 -5.177 1.458 938 HA ILE 120 HA ILE 120 -18.179 -6.720 -0.094 939 HB ILE 120 HB ILE 120 -15.202 -6.362 -0.640 940 1HG1 ILE 120 2HG1 ILE 120 -16.021 -4.167 -0.102 941 2HG1 ILE 120 1HG1 ILE 120 -15.887 -4.259 -1.855 942 1HG2 ILE 120 3HG2 ILE 120 -16.369 -7.869 -2.190 943 2HG2 ILE 120 2HG2 ILE 120 -17.555 -6.604 -2.522 944 3HG2 ILE 120 1HG2 ILE 120 -15.876 -6.382 -3.002 945 1HD1 ILE 120 3HD1 ILE 120 -18.346 -4.767 -1.890 946 2HD1 ILE 120 2HD1 ILE 120 -18.348 -4.388 -0.161 947 3HD1 ILE 120 1HD1 ILE 120 -17.928 -3.136 -1.317 948 HA PRO 121 HA PRO 121 -17.249 -10.707 1.568 949 1HB PRO 121 HB2 PRO 121 -18.498 -12.273 -0.231 950 2HB PRO 121 HB1 PRO 121 -19.387 -11.262 0.911 951 1HG PRO 121 HG2 PRO 121 -18.734 -10.744 -1.965 952 2HG PRO 121 HG1 PRO 121 -20.264 -10.488 -1.104 953 1HD PRO 121 HD2 PRO 121 -18.533 -8.479 -1.628 954 2HD PRO 121 HD1 PRO 121 -19.559 -8.504 -0.181 955 H PHE 122 HN PHE 122 -15.806 -9.641 -1.214 956 HA PHE 122 HA PHE 122 -13.787 -11.606 -1.336 957 1HB PHE 122 HB2 PHE 122 -15.644 -13.039 -2.238 958 2HB PHE 122 HB1 PHE 122 -15.870 -11.876 -3.534 959 HD1 PHE 122 HD1 PHE 122 -13.655 -14.447 -2.160 960 HD2 PHE 122 HD2 PHE 122 -14.382 -11.821 -5.416 961 HE1 PHE 122 HE1 PHE 122 -11.991 -15.664 -3.509 962 HE2 PHE 122 HE2 PHE 122 -12.732 -13.018 -6.765 963 HZ PHE 122 HZ PHE 122 -11.528 -14.950 -5.816 964 H ARG 123 HN ARG 123 -12.128 -10.865 -2.686 965 HA ARG 123 HA ARG 123 -12.719 -8.873 -4.639 966 1HB ARG 123 HB2 ARG 123 -12.760 -7.416 -2.825 967 2HB ARG 123 HB1 ARG 123 -11.393 -8.187 -2.051 968 1HG ARG 123 HG2 ARG 123 -9.916 -7.320 -3.738 969 2HG ARG 123 HG1 ARG 123 -11.285 -6.597 -4.585 970 1HD ARG 123 HD2 ARG 123 -10.006 -5.047 -3.167 971 2HD ARG 123 HD1 ARG 123 -11.723 -5.136 -2.794 972 HE ARG 123 HE ARG 123 -11.241 -6.216 -0.807 973 1HH1 ARG 123 1HH1 ARG 123 -8.178 -5.642 -2.531 974 2HH1 ARG 123 2HH1 ARG 123 -7.306 -5.512 -1.038 975 1HH2 ARG 123 1HH2 ARG 123 -9.844 -5.938 1.196 976 2HH2 ARG 123 2HH2 ARG 123 -8.167 -5.677 0.892 977 H THR 124 HN THR 124 -11.321 -8.865 -6.212 978 HA THR 124 HA THR 124 -8.717 -10.163 -5.876 979 HB THR 124 HB THR 124 -10.261 -9.693 -8.451 980 HG1 THR 124 HG1 THR 124 -11.563 -10.936 -7.206 981 1HG2 THR 124 2HG2 THR 124 -8.052 -11.632 -7.708 982 2HG2 THR 124 1HG2 THR 124 -8.900 -11.595 -9.265 983 3HG2 THR 124 3HG2 THR 124 -7.940 -10.211 -8.760 984 H LYS 125 HN LYS 125 -7.127 -8.996 -7.698 985 HA LYS 125 HA LYS 125 -6.799 -6.424 -6.676 986 1HB LYS 125 HB2 LYS 125 -4.909 -6.157 -8.193 987 2HB LYS 125 HB1 LYS 125 -4.886 -7.724 -7.430 988 1HG LYS 125 HG2 LYS 125 -4.793 -8.743 -9.412 989 2HG LYS 125 HG1 LYS 125 -6.271 -7.934 -9.934 990 1HD LYS 125 HD2 LYS 125 -3.477 -6.776 -10.099 991 2HD LYS 125 HD1 LYS 125 -4.378 -7.460 -11.450 992 1HE LYS 125 HE2 LYS 125 -6.130 -5.747 -11.088 993 2HE LYS 125 HE1 LYS 125 -5.152 -5.034 -9.816 994 1HZ LYS 125 HZ3 LYS 125 -3.406 -4.708 -11.587 995 2HZ LYS 125 HZ2 LYS 125 -4.577 -5.167 -12.695 996 3HZ LYS 125 HZ1 LYS 125 -4.848 -3.805 -11.724 997 H ALA 126 HN ALA 126 -8.333 -7.436 -9.697 998 HA ALA 126 HA ALA 126 -8.202 -4.765 -10.740 999 1HB ALA 126 HB3 ALA 126 -9.757 -7.134 -11.720 1000 2HB ALA 126 HB2 ALA 126 -9.396 -5.660 -12.630 1001 3HB ALA 126 HB1 ALA 126 -8.091 -6.764 -12.165 1002 H GLU 127 HN GLU 127 -10.318 -6.751 -8.980 1003 HA GLU 127 HA GLU 127 -12.675 -5.201 -9.358 1004 1HB GLU 127 HB2 GLU 127 -12.101 -7.000 -7.024 1005 2HB GLU 127 HB1 GLU 127 -13.657 -6.642 -7.771 1006 1HG GLU 127 HG2 GLU 127 -12.758 -7.774 -9.863 1007 2HG GLU 127 HG1 GLU 127 -11.410 -8.240 -8.884 1008 H PHE 128 HN PHE 128 -9.969 -5.205 -7.160 1009 HA PHE 128 HA PHE 128 -10.934 -3.433 -5.210 1010 1HB PHE 128 HB2 PHE 128 -8.954 -4.770 -4.789 1011 2HB PHE 128 HB1 PHE 128 -8.144 -4.080 -6.174 1012 HD1 PHE 128 HD1 PHE 128 -7.255 -1.875 -6.150 1013 HD2 PHE 128 HD2 PHE 128 -9.125 -3.451 -2.699 1014 HE1 PHE 128 HE1 PHE 128 -6.291 -0.031 -4.790 1015 HE2 PHE 128 HE2 PHE 128 -8.194 -1.640 -1.334 1016 HZ PHE 128 HZ PHE 128 -6.781 0.079 -2.379 1017 H GLU 129 HN GLU 129 -8.901 -2.878 -8.088 1018 HA GLU 129 HA GLU 129 -8.973 -0.099 -7.670 1019 1HB GLU 129 HB2 GLU 129 -8.057 0.029 -10.047 1020 2HB GLU 129 HB1 GLU 129 -7.095 -0.841 -8.865 1021 1HG GLU 129 HG2 GLU 129 -7.826 -2.933 -9.723 1022 2HG GLU 129 HG1 GLU 129 -8.962 -2.146 -10.812 1023 H ASP 130 HN ASP 130 -11.117 -2.262 -9.202 1024 HA ASP 130 HA ASP 130 -12.614 -0.456 -10.807 1025 1HB ASP 130 HB2 ASP 130 -12.766 -2.900 -11.033 1026 2HB ASP 130 HB1 ASP 130 -13.421 -3.011 -9.420 1027 H VAL 131 HN VAL 131 -13.064 -1.715 -7.559 1028 HA VAL 131 HA VAL 131 -15.287 -0.017 -7.072 1029 HB VAL 131 HB VAL 131 -15.135 -2.085 -5.762 1030 1HG1 VAL 131 3HG1 VAL 131 -12.748 -2.264 -5.630 1031 2HG1 VAL 131 2HG1 VAL 131 -12.709 -0.940 -4.469 1032 3HG1 VAL 131 1HG1 VAL 131 -13.512 -2.457 -4.047 1033 1HG2 VAL 131 2HG2 VAL 131 -16.349 -0.251 -4.731 1034 2HG2 VAL 131 1HG2 VAL 131 -15.540 -1.254 -3.515 1035 3HG2 VAL 131 3HG2 VAL 131 -14.850 0.303 -3.970 1036 H ILE 132 HN ILE 132 -11.842 0.316 -6.372 1037 HA ILE 132 HA ILE 132 -12.113 2.683 -4.898 1038 HB ILE 132 HB ILE 132 -9.862 1.168 -6.073 1039 1HG1 ILE 132 2HG1 ILE 132 -8.846 1.535 -3.861 1040 2HG1 ILE 132 1HG1 ILE 132 -10.144 2.640 -3.444 1041 1HG2 ILE 132 2HG2 ILE 132 -9.362 3.291 -7.058 1042 2HG2 ILE 132 1HG2 ILE 132 -9.475 4.090 -5.490 1043 3HG2 ILE 132 3HG2 ILE 132 -8.184 2.915 -5.792 1044 1HD1 ILE 132 3HD1 ILE 132 -10.430 -0.308 -3.993 1045 2HD1 ILE 132 2HD1 ILE 132 -10.432 0.460 -2.406 1046 3HD1 ILE 132 1HD1 ILE 132 -11.734 0.790 -3.548 1047 H GLU 133 HN GLU 133 -11.678 2.179 -8.391 1048 HA GLU 133 HA GLU 133 -11.456 4.953 -8.966 1049 1HB GLU 133 HB2 GLU 133 -11.795 4.338 -11.309 1050 2HB GLU 133 HB1 GLU 133 -10.758 3.139 -10.555 1051 1HG GLU 133 HG2 GLU 133 -12.512 1.586 -10.372 1052 2HG GLU 133 HG1 GLU 133 -13.692 2.774 -10.901 1053 H HIS 134 HN HIS 134 -14.088 2.864 -8.320 1054 HA HIS 134 HA HIS 134 -16.093 4.664 -9.342 1055 1HB HIS 134 HB2 HIS 134 -16.114 2.013 -8.898 1056 2HB HIS 134 HB1 HIS 134 -16.755 2.551 -7.350 1057 HD1 HIS 134 HD1 HIS 134 -18.184 1.085 -9.994 1058 HD2 HIS 134 HD2 HIS 134 -18.736 4.908 -8.467 1059 HE1 HIS 134 HE1 HIS 134 -20.432 1.817 -10.779 1060 H MET 135 HN MET 135 -14.589 3.944 -6.250 1061 HA MET 135 HA MET 135 -16.258 5.543 -4.597 1062 1HB MET 135 HB2 MET 135 -13.313 4.960 -4.264 1063 2HB MET 135 HB1 MET 135 -14.366 5.610 -3.029 1064 1HG MET 135 HG2 MET 135 -14.606 2.866 -4.252 1065 2HG MET 135 HG1 MET 135 -13.819 3.215 -2.729 1066 1HE MET 135 HE1 MET 135 -17.060 2.419 -4.580 1067 2HE MET 135 HE3 MET 135 -18.339 2.933 -3.495 1068 3HE MET 135 HE2 MET 135 -17.455 4.136 -4.415 1069 H LYS 136 HN LYS 136 -13.409 6.297 -6.468 1070 HA LYS 136 HA LYS 136 -13.336 8.906 -5.504 1071 1HB LYS 136 HB2 LYS 136 -11.684 9.442 -7.261 1072 2HB LYS 136 HB1 LYS 136 -11.310 8.051 -6.258 1073 1HG LYS 136 HG2 LYS 136 -12.058 6.584 -8.017 1074 2HG LYS 136 HG1 LYS 136 -12.431 7.983 -9.023 1075 1HD LYS 136 HD2 LYS 136 -10.252 7.018 -9.608 1076 2HD LYS 136 HD1 LYS 136 -10.095 8.667 -8.988 1077 1HE LYS 136 HE2 LYS 136 -9.458 7.784 -6.796 1078 2HE LYS 136 HE1 LYS 136 -9.626 6.137 -7.383 1079 1HZ LYS 136 HZ1 LYS 136 -7.760 6.660 -8.959 1080 2HZ LYS 136 HZ3 LYS 136 -7.670 8.197 -8.260 1081 3HZ LYS 136 HZ2 LYS 136 -7.327 6.835 -7.348 1082 H THR 137 HN THR 137 -15.336 7.520 -7.902 1083 HA THR 137 HA THR 137 -15.880 9.844 -9.387 1084 HB THR 137 HB THR 137 -17.874 8.757 -10.206 1085 HG1 THR 137 HG1 THR 137 -17.735 6.863 -8.097 1086 1HG2 THR 137 3HG2 THR 137 -15.799 7.630 -10.845 1087 2HG2 THR 137 2HG2 THR 137 -15.993 6.638 -9.390 1088 3HG2 THR 137 1HG2 THR 137 -17.169 6.499 -10.698 1089 H TYR 138 HN TYR 138 -16.770 8.788 -6.181 1090 HA TYR 138 HA TYR 138 -18.876 10.709 -5.924 1091 1HB TYR 138 HB2 TYR 138 -17.648 8.677 -4.013 1092 2HB TYR 138 HB1 TYR 138 -18.943 9.784 -3.549 1093 HD1 TYR 138 HD1 TYR 138 -18.110 6.911 -5.761 1094 HD2 TYR 138 HD2 TYR 138 -21.137 9.404 -4.190 1095 HE1 TYR 138 HE1 TYR 138 -19.786 5.486 -6.802 1096 HE2 TYR 138 HE2 TYR 138 -22.862 8.010 -5.269 1097 HH TYR 138 HH TYR 138 -23.092 6.459 -7.004 1098 H SER 139 HN SER 139 -15.959 9.935 -4.151 1099 HA SER 139 HA SER 139 -14.314 11.154 -3.189 1100 1HB SER 139 HB2 SER 139 -13.871 11.342 -5.620 1101 2HB SER 139 HB1 SER 139 -14.753 12.868 -5.583 1102 HG SER 139 HG SER 139 -13.190 13.588 -4.051 1103 H GLY 140 HN GLY 140 -17.203 12.157 -2.606 1104 1HA GLY 140 HA1 GLY 140 -17.683 14.673 -2.418 1105 2HA GLY 140 HA2 GLY 140 -16.320 14.558 -1.292 No H/Q in entry = 1105 Start of MODEL 6 1 H1 ALA 1 HT3 ALA 1 31.440 12.811 -0.072 2 H2 ALA 1 HT2 ALA 1 31.435 12.568 -1.739 3 H3 ALA 1 HT1 ALA 1 29.968 12.798 -0.920 4 HA ALA 1 HA ALA 1 30.318 10.744 0.270 5 1HB ALA 1 HB1 ALA 1 29.078 10.683 -1.839 6 2HB ALA 1 HB3 ALA 1 30.584 10.468 -2.726 7 3HB ALA 1 HB2 ALA 1 30.029 9.211 -1.627 8 H GLU 2 HN GLU 2 31.557 8.764 0.420 9 HA GLU 2 HA GLU 2 34.375 9.257 -0.123 10 1HB GLU 2 HB2 GLU 2 33.806 8.887 2.272 11 2HB GLU 2 HB1 GLU 2 33.089 7.342 1.868 12 1HG GLU 2 HG2 GLU 2 35.167 6.354 1.452 13 2HG GLU 2 HG1 GLU 2 35.973 7.907 1.287 14 H VAL 3 HN VAL 3 35.627 7.299 -0.800 15 HA VAL 3 HA VAL 3 34.410 6.247 -3.119 16 HB VAL 3 HB VAL 3 36.557 5.009 -3.427 17 1HG1 VAL 3 1HG1 VAL 3 36.825 7.946 -2.814 18 2HG1 VAL 3 3HG1 VAL 3 37.957 6.992 -3.772 19 3HG1 VAL 3 2HG1 VAL 3 36.306 7.239 -4.341 20 1HG2 VAL 3 2HG2 VAL 3 37.333 6.354 -0.837 21 2HG2 VAL 3 1HG2 VAL 3 37.143 4.621 -1.091 22 3HG2 VAL 3 3HG2 VAL 3 38.437 5.496 -1.909 23 H GLU 4 HN GLU 4 34.793 3.897 -3.621 24 HA GLU 4 HA GLU 4 33.364 2.458 -1.602 25 1HB GLU 4 HB2 GLU 4 33.978 1.661 -4.468 26 2HB GLU 4 HB1 GLU 4 32.813 0.880 -3.405 27 1HG GLU 4 HG2 GLU 4 31.445 2.886 -3.377 28 2HG GLU 4 HG1 GLU 4 32.638 3.738 -4.347 29 H HIS 5 HN HIS 5 34.399 0.803 -0.479 30 HA HIS 5 HA HIS 5 37.233 0.457 -1.123 31 1HB HIS 5 HB2 HIS 5 35.850 0.213 1.554 32 2HB HIS 5 HB1 HIS 5 37.514 -0.209 1.238 33 HD1 HIS 5 HD1 HIS 5 35.434 2.729 2.096 34 HD2 HIS 5 HD2 HIS 5 39.189 1.956 0.493 35 HE1 HIS 5 HE1 HIS 5 36.735 4.854 2.327 36 H TYR 6 HN TYR 6 38.047 -1.627 0.166 37 HA TYR 6 HA TYR 6 37.178 -3.829 -1.424 38 1HB TYR 6 HB2 TYR 6 39.076 -3.727 0.935 39 2HB TYR 6 HB1 TYR 6 38.936 -5.028 -0.233 40 HD1 TYR 6 HD1 TYR 6 40.161 -4.982 -2.238 41 HD2 TYR 6 HD2 TYR 6 39.909 -1.463 0.140 42 HE1 TYR 6 HE1 TYR 6 41.889 -3.927 -3.620 43 HE2 TYR 6 HE2 TYR 6 41.648 -0.399 -1.242 44 HH TYR 6 HH TYR 6 42.692 -1.800 -4.203 45 H GLU 7 HN GLU 7 37.034 -2.836 1.910 46 HA GLU 7 HA GLU 7 35.490 -5.079 2.776 47 1HB GLU 7 HB2 GLU 7 36.128 -2.425 4.084 48 2HB GLU 7 HB1 GLU 7 35.312 -3.761 4.885 49 1HG GLU 7 HG2 GLU 7 37.257 -5.148 4.677 50 2HG GLU 7 HG1 GLU 7 38.082 -3.925 3.720 51 HA PRO 8 HA PRO 8 31.769 -3.478 1.162 52 1HB PRO 8 HB2 PRO 8 29.996 -4.953 2.455 53 2HB PRO 8 HB1 PRO 8 31.080 -5.657 1.246 54 1HG PRO 8 HG2 PRO 8 31.329 -5.658 4.236 55 2HG PRO 8 HG1 PRO 8 31.569 -7.014 3.112 56 1HD PRO 8 HD2 PRO 8 33.618 -5.589 4.141 57 2HD PRO 8 HD1 PRO 8 33.668 -6.277 2.506 58 H LEU 9 HN LEU 9 29.391 -3.183 2.162 59 HA LEU 9 HA LEU 9 29.610 -1.342 4.455 60 1HB LEU 9 HB2 LEU 9 29.438 -0.420 1.872 61 2HB LEU 9 HB1 LEU 9 27.780 -0.741 2.195 62 HG LEU 9 HG LEU 9 28.313 1.627 2.549 63 1HD1 LEU 9 3HD1 LEU 9 27.471 0.214 5.062 64 2HD1 LEU 9 2HD1 LEU 9 27.253 1.932 4.725 65 3HD1 LEU 9 1HD1 LEU 9 26.425 0.725 3.739 66 1HD2 LEU 9 2HD2 LEU 9 30.599 1.414 3.332 67 2HD2 LEU 9 1HD2 LEU 9 29.626 2.334 4.480 68 3HD2 LEU 9 3HD2 LEU 9 30.039 0.657 4.825 69 H GLN 10 HN GLN 10 28.191 -2.072 5.944 70 HA GLN 10 HA GLN 10 26.058 -3.852 5.262 71 1HB GLN 10 HB2 GLN 10 27.017 -2.646 7.830 72 2HB GLN 10 HB1 GLN 10 25.532 -3.588 7.753 73 1HG GLN 10 HG2 GLN 10 26.783 -5.495 6.968 74 2HG GLN 10 HG1 GLN 10 28.257 -4.534 6.946 75 1HE2 GLN 10 1HE2 GLN 10 29.234 -5.932 8.311 76 2HE2 GLN 10 2HE2 GLN 10 28.910 -5.993 10.006 77 H VAL 11 HN VAL 11 24.392 -3.109 4.346 78 HA VAL 11 HA VAL 11 23.306 -0.474 5.034 79 HB VAL 11 HB VAL 11 22.565 -2.122 2.656 80 1HG1 VAL 11 2HG1 VAL 11 21.133 -0.301 3.176 81 2HG1 VAL 11 1HG1 VAL 11 22.493 0.829 3.161 82 3HG1 VAL 11 3HG1 VAL 11 21.998 0.013 1.672 83 1HG2 VAL 11 1HG2 VAL 11 24.951 -1.952 2.526 84 2HG2 VAL 11 3HG2 VAL 11 24.208 -0.945 1.295 85 3HG2 VAL 11 2HG2 VAL 11 24.884 -0.194 2.747 86 H HIS 12 HN HIS 12 21.574 -0.620 6.270 87 HA HIS 12 HA HIS 12 19.859 -2.983 6.159 88 1HB HIS 12 HB2 HIS 12 20.595 -2.161 8.390 89 2HB HIS 12 HB1 HIS 12 19.870 -0.603 8.025 90 HD1 HIS 12 HD1 HIS 12 18.127 -0.615 9.900 91 HD2 HIS 12 HD2 HIS 12 17.969 -4.006 7.502 92 HE1 HIS 12 HE1 HIS 12 16.043 -1.841 10.560 93 H VAL 13 HN VAL 13 18.329 -2.839 4.653 94 HA VAL 13 HA VAL 13 17.288 -0.191 3.913 95 HB VAL 13 HB VAL 13 16.802 -1.046 1.783 96 1HG1 VAL 13 3HG1 VAL 13 19.128 -0.426 2.083 97 2HG1 VAL 13 2HG1 VAL 13 19.488 -2.096 2.550 98 3HG1 VAL 13 1HG1 VAL 13 18.959 -1.745 0.913 99 1HG2 VAL 13 3HG2 VAL 13 17.629 -3.715 2.801 100 2HG2 VAL 13 2HG2 VAL 13 16.000 -3.228 2.310 101 3HG2 VAL 13 1HG2 VAL 13 17.278 -3.378 1.099 102 H GLN 14 HN GLN 14 15.322 0.203 3.917 103 HA GLN 14 HA GLN 14 13.452 -1.866 4.816 104 1HB GLN 14 HB2 GLN 14 13.582 -0.013 6.405 105 2HB GLN 14 HB1 GLN 14 13.312 1.147 5.114 106 1HG GLN 14 HG2 GLN 14 11.064 0.251 4.769 107 2HG GLN 14 HG1 GLN 14 11.336 -0.927 6.049 108 1HE2 GLN 14 1HE2 GLN 14 9.349 1.229 5.784 109 2HE2 GLN 14 2HE2 GLN 14 9.550 2.214 7.184 110 H LEU 15 HN LEU 15 12.292 -2.597 3.189 111 HA LEU 15 HA LEU 15 11.899 -0.868 0.899 112 1HB LEU 15 HB2 LEU 15 11.412 -3.797 1.278 113 2HB LEU 15 HB1 LEU 15 11.068 -2.942 -0.195 114 HG LEU 15 HG LEU 15 12.962 -3.851 -0.793 115 1HD1 LEU 15 3HD1 LEU 15 13.493 -1.577 -1.010 116 2HD1 LEU 15 2HD1 LEU 15 14.114 -1.503 0.641 117 3HD1 LEU 15 1HD1 LEU 15 14.958 -2.459 -0.576 118 1HD2 LEU 15 2HD2 LEU 15 13.955 -3.905 2.043 119 2HD2 LEU 15 1HD2 LEU 15 13.305 -5.230 1.068 120 3HD2 LEU 15 3HD2 LEU 15 14.834 -4.502 0.617 121 H GLU 16 HN GLU 16 9.999 0.144 0.778 122 HA GLU 16 HA GLU 16 7.698 -0.953 2.252 123 1HB GLU 16 HB2 GLU 16 8.044 1.775 0.991 124 2HB GLU 16 HB1 GLU 16 6.650 1.243 1.912 125 1HG GLU 16 HG2 GLU 16 8.136 0.994 3.882 126 2HG GLU 16 HG1 GLU 16 9.434 1.717 2.928 127 H LYS 17 HN LYS 17 6.099 -1.862 1.105 128 HA LYS 17 HA LYS 17 6.150 -1.366 -1.797 129 1HB LYS 17 HB2 LYS 17 5.309 -3.891 -0.369 130 2HB LYS 17 HB1 LYS 17 5.211 -3.628 -2.101 131 1HG LYS 17 HG2 LYS 17 7.652 -3.405 -2.196 132 2HG LYS 17 HG1 LYS 17 7.734 -3.711 -0.461 133 1HD LYS 17 HD2 LYS 17 6.711 -5.907 -0.807 134 2HD LYS 17 HD1 LYS 17 6.638 -5.598 -2.542 135 1HE LYS 17 HE2 LYS 17 9.079 -5.382 -2.593 136 2HE LYS 17 HE1 LYS 17 9.137 -5.729 -0.864 137 1HZ LYS 17 HZ3 LYS 17 8.156 -7.915 -1.355 138 2HZ LYS 17 HZ2 LYS 17 8.224 -7.561 -3.013 139 3HZ LYS 17 HZ1 LYS 17 9.636 -7.679 -2.123 140 H VAL 18 HN VAL 18 4.594 0.110 -2.076 141 HA VAL 18 HA VAL 18 2.232 -0.015 -0.398 142 HB VAL 18 HB VAL 18 2.577 1.976 -2.663 143 1HG1 VAL 18 3HG1 VAL 18 0.441 1.934 -1.664 144 2HG1 VAL 18 2HG1 VAL 18 1.143 2.197 -0.066 145 3HG1 VAL 18 1HG1 VAL 18 1.278 3.445 -1.305 146 1HG2 VAL 18 1HG2 VAL 18 3.852 2.251 0.079 147 2HG2 VAL 18 3HG2 VAL 18 4.685 2.135 -1.480 148 3HG2 VAL 18 2HG2 VAL 18 3.698 3.535 -1.124 149 H TYR 19 HN TYR 19 0.960 -1.664 -1.036 150 HA TYR 19 HA TYR 19 0.547 -2.221 -3.821 151 1HB TYR 19 HB2 TYR 19 -0.646 -3.306 -1.287 152 2HB TYR 19 HB1 TYR 19 -1.151 -3.836 -2.882 153 HD1 TYR 19 HD1 TYR 19 1.728 -3.710 -0.558 154 HD2 TYR 19 HD2 TYR 19 0.063 -5.445 -4.046 155 HE1 TYR 19 HE1 TYR 19 3.486 -5.428 -0.534 156 HE2 TYR 19 HE2 TYR 19 1.830 -7.172 -4.048 157 HH TYR 19 HH TYR 19 4.204 -7.402 -3.131 158 H LEU 20 HN LEU 20 -1.756 -2.357 -4.655 159 HA LEU 20 HA LEU 20 -2.899 0.211 -4.726 160 1HB LEU 20 HB2 LEU 20 -4.287 -2.392 -5.309 161 2HB LEU 20 HB1 LEU 20 -4.829 -0.809 -5.799 162 HG LEU 20 HG LEU 20 -2.370 -2.230 -6.792 163 1HD1 LEU 20 2HD1 LEU 20 -4.479 -3.161 -7.529 164 2HD1 LEU 20 1HD1 LEU 20 -5.001 -1.580 -8.103 165 3HD1 LEU 20 3HD1 LEU 20 -3.624 -2.387 -8.869 166 1HD2 LEU 20 3HD2 LEU 20 -3.558 0.436 -7.577 167 2HD2 LEU 20 2HD2 LEU 20 -2.043 0.182 -6.710 168 3HD2 LEU 20 1HD2 LEU 20 -2.203 -0.369 -8.380 169 H ASP 21 HN ASP 21 -3.608 -2.549 -2.830 170 HA ASP 21 HA ASP 21 -6.111 -1.816 -1.725 171 1HB ASP 21 HB2 ASP 21 -5.417 -4.082 -1.629 172 2HB ASP 21 HB1 ASP 21 -3.958 -3.668 -0.744 173 H GLY 22 HN GLY 22 -2.922 -0.817 -0.898 174 1HA GLY 22 HA1 GLY 22 -4.060 0.422 1.502 175 2HA GLY 22 HA2 GLY 22 -2.762 1.153 0.584 176 H ASP 23 HN ASP 23 -2.835 -2.223 0.967 177 HA ASP 23 HA ASP 23 -1.383 -2.542 3.350 178 1HB ASP 23 HB2 ASP 23 -2.563 -4.435 2.416 179 2HB ASP 23 HB1 ASP 23 -1.654 -4.320 0.917 180 H VAL 24 HN VAL 24 0.633 -1.959 3.738 181 HA VAL 24 HA VAL 24 2.445 -1.888 1.439 182 HB VAL 24 HB VAL 24 2.926 -0.432 4.042 183 1HG1 VAL 24 3HG1 VAL 24 4.884 -0.891 2.765 184 2HG1 VAL 24 2HG1 VAL 24 4.167 -0.131 1.350 185 3HG1 VAL 24 1HG1 VAL 24 4.542 0.843 2.776 186 1HG2 VAL 24 3HG2 VAL 24 1.725 0.684 1.516 187 2HG2 VAL 24 2HG2 VAL 24 0.891 0.489 3.054 188 3HG2 VAL 24 1HG2 VAL 24 2.221 1.646 2.914 189 H SER 25 HN SER 25 3.675 -3.535 1.408 190 HA SER 25 HA SER 25 4.176 -5.052 3.811 191 1HB SER 25 HB2 SER 25 5.205 -5.418 1.009 192 2HB SER 25 HB1 SER 25 5.325 -6.595 2.319 193 HG SER 25 HG SER 25 2.783 -5.639 1.805 194 H ILE 26 HN ILE 26 5.737 -4.647 5.103 195 HA ILE 26 HA ILE 26 7.884 -2.898 4.214 196 HB ILE 26 HB ILE 26 7.005 -3.659 7.009 197 1HG1 ILE 26 2HG1 ILE 26 5.331 -2.290 5.889 198 2HG1 ILE 26 1HG1 ILE 26 6.129 -1.356 7.153 199 1HG2 ILE 26 3HG2 ILE 26 9.380 -3.078 6.907 200 2HG2 ILE 26 2HG2 ILE 26 8.981 -1.573 6.078 201 3HG2 ILE 26 1HG2 ILE 26 8.464 -1.823 7.745 202 1HD1 ILE 26 1HD1 ILE 26 7.502 -0.275 5.438 203 2HD1 ILE 26 3HD1 ILE 26 6.640 -1.190 4.198 204 3HD1 ILE 26 2HD1 ILE 26 5.773 -0.014 5.181 205 H GLU 27 HN GLU 27 9.638 -3.858 3.642 206 HA GLU 27 HA GLU 27 10.369 -6.391 4.910 207 1HB GLU 27 HB2 GLU 27 9.947 -6.765 2.612 208 2HB GLU 27 HB1 GLU 27 10.829 -5.338 2.121 209 1HG GLU 27 HG2 GLU 27 12.197 -7.138 1.581 210 2HG GLU 27 HG1 GLU 27 12.873 -6.427 3.013 211 H HIS 28 HN HIS 28 12.505 -6.680 5.470 212 HA HIS 28 HA HIS 28 14.204 -4.294 5.482 213 1HB HIS 28 HB2 HIS 28 13.536 -5.956 7.909 214 2HB HIS 28 HB1 HIS 28 14.965 -4.935 7.828 215 HD1 HIS 28 HD1 HIS 28 14.573 -2.793 8.968 216 HD2 HIS 28 HD2 HIS 28 11.196 -4.273 7.166 217 HE1 HIS 28 HE1 HIS 28 12.734 -1.151 9.557 218 H LYS 29 HN LYS 29 16.028 -4.715 4.734 219 HA LYS 29 HA LYS 29 17.095 -7.483 4.826 220 1HB LYS 29 HB2 LYS 29 17.707 -5.543 2.567 221 2HB LYS 29 HB1 LYS 29 18.053 -7.226 2.650 222 1HG LYS 29 HG2 LYS 29 15.342 -6.071 2.386 223 2HG LYS 29 HG1 LYS 29 16.354 -6.676 1.080 224 1HD LYS 29 HD2 LYS 29 16.412 -8.784 2.702 225 2HD LYS 29 HD1 LYS 29 14.836 -8.085 3.137 226 1HE LYS 29 HE2 LYS 29 14.310 -7.901 0.738 227 2HE LYS 29 HE1 LYS 29 15.821 -8.758 0.434 228 1HZ LYS 29 HZ3 LYS 29 14.940 -10.679 1.649 229 2HZ LYS 29 HZ2 LYS 29 13.474 -9.860 1.904 230 3HZ LYS 29 HZ1 LYS 29 13.939 -10.281 0.357 231 H HIS 30 HN HIS 30 19.242 -7.565 5.354 232 HA HIS 30 HA HIS 30 20.651 -5.022 5.391 233 1HB HIS 30 HB2 HIS 30 22.021 -5.716 7.318 234 2HB HIS 30 HB1 HIS 30 20.327 -5.734 7.760 235 HD1 HIS 30 HD1 HIS 30 19.401 -8.003 8.617 236 HD2 HIS 30 HD2 HIS 30 23.308 -8.211 7.229 237 HE1 HIS 30 HE1 HIS 30 20.270 -10.264 9.306 238 H GLU 31 HN GLU 31 22.161 -4.950 3.881 239 HA GLU 31 HA GLU 31 23.422 -7.506 3.213 240 1HB GLU 31 HB2 GLU 31 23.500 -6.819 0.857 241 2HB GLU 31 HB1 GLU 31 21.853 -6.992 1.460 242 1HG GLU 31 HG2 GLU 31 21.630 -4.603 1.573 243 2HG GLU 31 HG1 GLU 31 23.309 -4.408 1.050 244 H LYS 32 HN LYS 32 25.519 -7.384 2.425 245 HA LYS 32 HA LYS 32 26.847 -4.905 3.105 246 1HB LYS 32 HB2 LYS 32 27.784 -7.733 2.952 247 2HB LYS 32 HB1 LYS 32 28.919 -6.407 2.949 248 1HG LYS 32 HG2 LYS 32 27.958 -5.673 5.109 249 2HG LYS 32 HG1 LYS 32 26.998 -7.133 5.200 250 1HD LYS 32 HD2 LYS 32 30.002 -6.846 5.206 251 2HD LYS 32 HD1 LYS 32 28.974 -7.505 6.468 252 1HE LYS 32 HE2 LYS 32 29.381 -8.682 3.753 253 2HE LYS 32 HE1 LYS 32 30.220 -9.231 5.198 254 1HZ LYS 32 HZ2 LYS 32 27.249 -9.298 4.874 255 2HZ LYS 32 HZ1 LYS 32 28.248 -10.626 4.639 256 3HZ LYS 32 HZ3 LYS 32 28.113 -9.925 6.148 257 H VAL 33 HN VAL 33 27.351 -3.721 1.513 258 HA VAL 33 HA VAL 33 27.944 -5.038 -1.009 259 HB VAL 33 HB VAL 33 25.986 -4.104 -1.655 260 1HG1 VAL 33 1HG1 VAL 33 26.527 -1.681 0.058 261 2HG1 VAL 33 3HG1 VAL 33 25.103 -1.947 -0.958 262 3HG1 VAL 33 2HG1 VAL 33 25.409 -3.013 0.413 263 1HG2 VAL 33 2HG2 VAL 33 27.701 -3.225 -3.098 264 2HG2 VAL 33 1HG2 VAL 33 26.364 -2.081 -2.958 265 3HG2 VAL 33 3HG2 VAL 33 27.841 -1.824 -2.036 266 H PHE 34 HN PHE 34 29.688 -4.563 -2.114 267 HA PHE 34 HA PHE 34 31.746 -3.126 -0.757 268 1HB PHE 34 HB2 PHE 34 31.729 -4.221 -3.571 269 2HB PHE 34 HB1 PHE 34 33.125 -3.725 -2.636 270 HD1 PHE 34 HD1 PHE 34 31.595 -6.463 -3.892 271 HD2 PHE 34 HD2 PHE 34 33.049 -5.013 -0.170 272 HE1 PHE 34 HE1 PHE 34 31.875 -8.773 -3.110 273 HE2 PHE 34 HE2 PHE 34 33.339 -7.324 0.618 274 HZ PHE 34 HZ PHE 34 32.753 -9.208 -0.849 275 H SER 35 HN SER 35 29.795 -2.604 -3.752 276 HA SER 35 HA SER 35 30.984 0.004 -3.901 277 1HB SER 35 HB2 SER 35 29.885 -1.843 -6.004 278 2HB SER 35 HB1 SER 35 30.592 -0.248 -6.259 279 HG SER 35 HG SER 35 32.410 -1.466 -4.917 280 H MET 36 HN MET 36 29.476 1.297 -2.992 281 HA MET 36 HA MET 36 26.760 0.830 -2.639 282 1HB MET 36 HB2 MET 36 28.348 3.363 -2.765 283 2HB MET 36 HB1 MET 36 26.602 3.440 -2.621 284 1HG MET 36 HG2 MET 36 27.696 1.589 -0.713 285 2HG MET 36 HG1 MET 36 28.470 3.174 -0.580 286 1HE MET 36 HE1 MET 36 24.917 2.505 -1.878 287 2HE MET 36 HE3 MET 36 24.813 1.344 -0.540 288 3HE MET 36 HE2 MET 36 23.879 2.874 -0.545 289 H ASP 37 HN ASP 37 28.400 2.013 -5.381 290 HA ASP 37 HA ASP 37 26.174 3.081 -6.788 291 1HB ASP 37 HB2 ASP 37 28.442 3.679 -7.384 292 2HB ASP 37 HB1 ASP 37 28.793 2.008 -7.809 293 H ASP 38 HN ASP 38 27.436 -0.191 -6.471 294 HA ASP 38 HA ASP 38 25.869 -1.297 -8.613 295 1HB ASP 38 HB2 ASP 38 27.902 -2.479 -7.643 296 2HB ASP 38 HB1 ASP 38 26.972 -2.675 -6.169 297 H PHE 39 HN PHE 39 25.528 -0.738 -5.197 298 HA PHE 39 HA PHE 39 23.140 -2.122 -4.713 299 1HB PHE 39 HB2 PHE 39 24.565 -1.438 -2.923 300 2HB PHE 39 HB1 PHE 39 24.442 0.256 -3.375 301 HD1 PHE 39 HD1 PHE 39 22.336 1.432 -2.965 302 HD2 PHE 39 HD2 PHE 39 22.988 -2.505 -1.550 303 HE1 PHE 39 HE1 PHE 39 20.489 1.714 -1.385 304 HE2 PHE 39 HE2 PHE 39 21.139 -2.246 0.049 305 HZ PHE 39 HZ PHE 39 19.883 -0.117 0.122 306 H TRP 40 HN TRP 40 23.873 1.224 -5.658 307 HA TRP 40 HA TRP 40 21.203 2.117 -5.643 308 1HB TRP 40 HB2 TRP 40 23.547 3.231 -7.165 309 2HB TRP 40 HB1 TRP 40 22.006 4.058 -6.962 310 HD1 TRP 40 HD1 TRP 40 25.227 4.461 -5.692 311 HE1 TRP 40 HE1 TRP 40 25.331 5.222 -3.245 312 HE3 TRP 40 HE3 TRP 40 20.427 3.384 -4.325 313 HZ2 TRP 40 HZ2 TRP 40 23.586 5.342 -1.023 314 HZ3 TRP 40 HZ3 TRP 40 19.736 3.847 -2.023 315 HH2 TRP 40 HH2 TRP 40 21.277 4.803 -0.417 316 H ALA 41 HN ALA 41 23.191 0.729 -8.120 317 HA ALA 41 HA ALA 41 21.254 1.025 -10.191 318 1HB ALA 41 HB2 ALA 41 22.570 -0.643 -11.420 319 2HB ALA 41 HB1 ALA 41 23.623 0.563 -10.676 320 3HB ALA 41 HB3 ALA 41 23.454 -1.029 -9.940 321 H ALA 42 HN ALA 42 21.851 -1.386 -7.777 322 HA ALA 42 HA ALA 42 20.096 -3.376 -8.723 323 1HB ALA 42 HB3 ALA 42 20.971 -2.826 -5.890 324 2HB ALA 42 HB2 ALA 42 20.244 -4.324 -6.466 325 3HB ALA 42 HB1 ALA 42 21.832 -3.824 -7.056 326 H TYR 43 HN TYR 43 19.569 -0.634 -6.533 327 HA TYR 43 HA TYR 43 16.722 -1.369 -6.476 328 1HB TYR 43 HB2 TYR 43 18.340 0.333 -4.589 329 2HB TYR 43 HB1 TYR 43 16.611 0.092 -4.483 330 HD1 TYR 43 HD1 TYR 43 19.885 -1.554 -4.101 331 HD2 TYR 43 HD2 TYR 43 15.692 -1.898 -3.588 332 HE1 TYR 43 HE1 TYR 43 20.240 -3.538 -2.702 333 HE2 TYR 43 HE2 TYR 43 16.031 -3.913 -2.166 334 HH TYR 43 HH TYR 43 19.213 -4.873 -1.110 335 H ALA 44 HN ALA 44 18.438 0.366 -8.454 336 HA ALA 44 HA ALA 44 17.729 2.970 -8.363 337 1HB ALA 44 HB3 ALA 44 19.269 2.090 -9.986 338 2HB ALA 44 HB2 ALA 44 17.970 1.255 -10.822 339 3HB ALA 44 HB1 ALA 44 18.019 3.023 -10.805 340 H GLY 45 HN GLY 45 15.673 0.312 -9.325 341 1HA GLY 45 HA1 GLY 45 13.478 0.243 -10.050 342 2HA GLY 45 HA2 GLY 45 13.643 1.925 -10.527 343 H TRP 46 HN TRP 46 14.258 0.807 -7.224 344 HA TRP 46 HA TRP 46 11.705 1.409 -6.156 345 1HB TRP 46 HB2 TRP 46 14.428 1.326 -4.849 346 2HB TRP 46 HB1 TRP 46 12.884 1.370 -4.020 347 HD1 TRP 46 HD1 TRP 46 14.837 -0.988 -6.378 348 HE1 TRP 46 HE1 TRP 46 14.255 -3.419 -5.718 349 HE3 TRP 46 HE3 TRP 46 11.417 0.000 -2.785 350 HZ2 TRP 46 HZ2 TRP 46 12.547 -4.726 -3.845 351 HZ3 TRP 46 HZ3 TRP 46 10.339 -1.850 -1.641 352 HH2 TRP 46 HH2 TRP 46 10.894 -4.170 -2.178 353 H THR 47 HN THR 47 11.122 3.340 -4.891 354 HA THR 47 HA THR 47 12.488 5.693 -5.751 355 HB THR 47 HB THR 47 10.037 5.183 -4.064 356 HG1 THR 47 HG1 THR 47 10.526 5.425 -6.779 357 1HG2 THR 47 2HG2 THR 47 11.083 7.764 -5.241 358 2HG2 THR 47 1HG2 THR 47 9.522 7.558 -4.422 359 3HG2 THR 47 3HG2 THR 47 11.025 7.326 -3.525 360 H LEU 48 HN LEU 48 14.086 6.463 -4.593 361 HA LEU 48 HA LEU 48 14.792 5.463 -2.015 362 1HB LEU 48 HB2 LEU 48 16.391 6.105 -3.868 363 2HB LEU 48 HB1 LEU 48 15.927 7.764 -3.643 364 HG LEU 48 HG LEU 48 18.170 7.077 -2.716 365 1HD1 LEU 48 1HD1 LEU 48 17.088 9.133 -1.979 366 2HD1 LEU 48 3HD1 LEU 48 16.299 8.237 -0.667 367 3HD1 LEU 48 2HD1 LEU 48 18.064 8.360 -0.738 368 1HD2 LEU 48 3HD2 LEU 48 17.521 4.922 -1.828 369 2HD2 LEU 48 2HD2 LEU 48 18.234 5.950 -0.586 370 3HD2 LEU 48 1HD2 LEU 48 16.485 5.715 -0.641 371 H VAL 49 HN VAL 49 13.716 6.132 -0.261 372 HA VAL 49 HA VAL 49 12.440 8.742 -0.289 373 HB VAL 49 HB VAL 49 12.138 6.474 1.761 374 1HG1 VAL 49 3HG1 VAL 49 10.682 9.094 1.550 375 2HG1 VAL 49 2HG1 VAL 49 10.290 7.766 2.648 376 3HG1 VAL 49 1HG1 VAL 49 11.820 8.631 2.814 377 1HG2 VAL 49 2HG2 VAL 49 10.293 7.488 -0.386 378 2HG2 VAL 49 1HG2 VAL 49 11.188 5.969 -0.420 379 3HG2 VAL 49 3HG2 VAL 49 9.932 6.222 0.790 380 H GLU 50 HN GLU 50 14.749 6.916 1.705 381 HA GLU 50 HA GLU 50 16.229 9.314 1.958 382 1HB GLU 50 HB2 GLU 50 16.509 9.232 4.404 383 2HB GLU 50 HB1 GLU 50 14.858 9.731 3.959 384 1HG GLU 50 HG2 GLU 50 14.149 7.513 4.546 385 2HG GLU 50 HG1 GLU 50 15.812 7.039 4.919 386 H GLN 51 HN GLN 51 18.289 8.956 2.725 387 HA GLN 51 HA GLN 51 18.986 6.261 3.405 388 1HB GLN 51 HB2 GLN 51 20.942 6.334 1.944 389 2HB GLN 51 HB1 GLN 51 19.420 6.392 1.061 390 1HG GLN 51 HG2 GLN 51 19.685 8.718 0.622 391 2HG GLN 51 HG1 GLN 51 21.096 8.787 1.685 392 1HE2 GLN 51 1HE2 GLN 51 19.853 7.503 -1.238 393 2HE2 GLN 51 2HE2 GLN 51 21.367 7.150 -1.991 394 H LYS 52 HN LYS 52 20.530 6.146 4.759 395 HA LYS 52 HA LYS 52 22.154 8.451 5.384 396 1HB LYS 52 HB2 LYS 52 21.919 7.447 7.848 397 2HB LYS 52 HB1 LYS 52 20.725 8.587 7.239 398 1HG LYS 52 HG2 LYS 52 19.893 6.095 6.424 399 2HG LYS 52 HG1 LYS 52 20.337 5.883 8.154 400 1HD LYS 52 HD2 LYS 52 18.370 7.770 6.822 401 2HD LYS 52 HD1 LYS 52 17.982 6.386 7.826 402 1HE LYS 52 HE2 LYS 52 19.079 7.565 9.741 403 2HE LYS 52 HE1 LYS 52 19.248 8.975 8.697 404 1HZ LYS 52 HZ3 LYS 52 16.755 8.811 8.355 405 2HZ LYS 52 HZ2 LYS 52 16.737 7.683 9.573 406 3HZ LYS 52 HZ1 LYS 52 17.218 9.243 9.937 407 H LYS 53 HN LYS 53 24.256 7.563 6.476 408 HA LYS 53 HA LYS 53 25.022 5.548 4.625 409 1HB LYS 53 HB2 LYS 53 26.473 7.500 5.367 410 2HB LYS 53 HB1 LYS 53 26.766 6.609 6.854 411 1HG LYS 53 HG2 LYS 53 28.611 6.330 5.316 412 2HG LYS 53 HG1 LYS 53 27.786 4.784 5.534 413 1HD LYS 53 HD2 LYS 53 26.592 5.111 3.402 414 2HD LYS 53 HD1 LYS 53 27.367 6.680 3.202 415 1HE LYS 53 HE2 LYS 53 28.834 4.041 3.336 416 2HE LYS 53 HE1 LYS 53 28.360 4.838 1.841 417 1HZ LYS 53 HZ3 LYS 53 30.237 5.965 3.870 418 2HZ LYS 53 HZ2 LYS 53 30.658 5.271 2.400 419 3HZ LYS 53 HZ1 LYS 53 29.788 6.695 2.418 420 H GLY 54 HN GLY 54 24.156 3.652 4.966 421 1HA GLY 54 HA1 GLY 54 24.726 2.336 7.532 422 2HA GLY 54 HA2 GLY 54 24.851 1.514 5.986 423 H TYR 55 HN TYR 55 22.124 3.682 6.055 424 HA TYR 55 HA TYR 55 20.442 1.384 6.185 425 1HB TYR 55 HB2 TYR 55 20.358 2.141 8.441 426 2HB TYR 55 HB1 TYR 55 20.340 3.824 7.949 427 HD1 TYR 55 HD1 TYR 55 18.346 0.958 8.774 428 HD2 TYR 55 HD2 TYR 55 18.413 4.652 6.849 429 HE1 TYR 55 HE1 TYR 55 15.885 1.025 8.944 430 HE2 TYR 55 HE2 TYR 55 15.949 4.837 6.964 431 HH TYR 55 HH TYR 55 13.967 3.266 7.258 432 H VAL 56 HN VAL 56 19.021 1.537 4.580 433 HA VAL 56 HA VAL 56 18.592 4.166 3.380 434 HB VAL 56 HB VAL 56 19.176 1.617 1.830 435 1HG1 VAL 56 3HG1 VAL 56 18.483 4.374 0.864 436 2HG1 VAL 56 2HG1 VAL 56 18.976 3.024 -0.157 437 3HG1 VAL 56 1HG1 VAL 56 17.462 2.944 0.746 438 1HG2 VAL 56 2HG2 VAL 56 21.195 2.754 2.734 439 2HG2 VAL 56 1HG2 VAL 56 21.114 2.800 0.966 440 3HG2 VAL 56 3HG2 VAL 56 20.680 4.225 1.898 441 H LEU 57 HN LEU 57 16.542 4.565 2.774 442 HA LEU 57 HA LEU 57 14.604 2.431 3.193 443 1HB LEU 57 HB2 LEU 57 14.203 3.944 4.894 444 2HB LEU 57 HB1 LEU 57 14.645 5.320 3.912 445 HG LEU 57 HG LEU 57 12.551 5.107 2.706 446 1HD1 LEU 57 2HD1 LEU 57 12.123 2.832 2.895 447 2HD1 LEU 57 1HD1 LEU 57 11.705 2.993 4.626 448 3HD1 LEU 57 3HD1 LEU 57 10.782 3.873 3.373 449 1HD2 LEU 57 3HD2 LEU 57 12.388 5.462 5.671 450 2HD2 LEU 57 2HD2 LEU 57 12.527 6.689 4.403 451 3HD2 LEU 57 1HD2 LEU 57 11.042 5.792 4.571 452 H PHE 58 HN PHE 58 13.761 1.724 1.443 453 HA PHE 58 HA PHE 58 13.342 3.464 -0.931 454 1HB PHE 58 HB2 PHE 58 14.139 0.602 -0.670 455 2HB PHE 58 HB1 PHE 58 13.275 1.143 -2.091 456 HD1 PHE 58 HD1 PHE 58 16.415 0.690 -0.591 457 HD2 PHE 58 HD2 PHE 58 14.297 3.109 -3.339 458 HE1 PHE 58 HE1 PHE 58 18.533 1.351 -1.632 459 HE2 PHE 58 HE2 PHE 58 16.394 3.809 -4.377 460 HZ PHE 58 HZ PHE 58 18.531 2.924 -3.533 461 H ARG 59 HN ARG 59 11.466 3.136 -2.137 462 HA ARG 59 HA ARG 59 9.573 1.196 -1.082 463 1HB ARG 59 HB2 ARG 59 7.665 2.684 -1.365 464 2HB ARG 59 HB1 ARG 59 8.827 3.351 -0.229 465 1HG ARG 59 HG2 ARG 59 9.618 4.897 -1.971 466 2HG ARG 59 HG1 ARG 59 8.425 4.187 -3.079 467 1HD ARG 59 HD2 ARG 59 7.838 6.297 -2.002 468 2HD ARG 59 HD1 ARG 59 6.624 5.017 -1.903 469 HE ARG 59 HE ARG 59 8.169 4.810 0.399 470 1HH1 ARG 59 1HH1 ARG 59 6.051 7.344 -0.889 471 2HH1 ARG 59 2HH1 ARG 59 5.504 7.803 0.663 472 1HH2 ARG 59 1HH2 ARG 59 7.424 5.440 2.419 473 2HH2 ARG 59 2HH2 ARG 59 6.289 6.720 2.576 474 H LYS 60 HN LYS 60 8.391 0.182 -2.479 475 HA LYS 60 HA LYS 60 8.527 0.847 -5.328 476 1HB LYS 60 HB2 LYS 60 10.169 -0.895 -4.922 477 2HB LYS 60 HB1 LYS 60 8.980 -1.859 -4.052 478 1HG LYS 60 HG2 LYS 60 9.044 -2.897 -6.112 479 2HG LYS 60 HG1 LYS 60 7.725 -1.753 -6.351 480 1HD LYS 60 HD2 LYS 60 9.170 -1.687 -8.283 481 2HD LYS 60 HD1 LYS 60 9.348 -0.179 -7.389 482 1HE LYS 60 HE2 LYS 60 11.462 -0.766 -6.544 483 2HE LYS 60 HE1 LYS 60 11.270 -2.455 -6.885 484 1HZ LYS 60 HZ2 LYS 60 11.465 -0.391 -9.014 485 2HZ LYS 60 HZ1 LYS 60 12.732 -1.412 -8.490 486 3HZ LYS 60 HZ3 LYS 60 11.365 -2.031 -9.218 487 H GLN 61 HN GLN 61 6.463 1.315 -5.587 488 HA GLN 61 HA GLN 61 4.612 -0.243 -4.075 489 1HB GLN 61 HB2 GLN 61 2.888 1.515 -4.810 490 2HB GLN 61 HB1 GLN 61 4.148 1.904 -3.645 491 1HG GLN 61 HG2 GLN 61 5.430 2.880 -5.455 492 2HG GLN 61 HG1 GLN 61 3.961 2.746 -6.477 493 1HE2 GLN 61 1HE2 GLN 61 5.502 4.168 -3.801 494 2HE2 GLN 61 2HE2 GLN 61 4.385 5.421 -3.446 495 H MET 62 HN MET 62 2.849 -1.255 -4.798 496 HA MET 62 HA MET 62 3.776 -2.685 -7.141 497 1HB MET 62 HB2 MET 62 2.122 -3.606 -4.836 498 2HB MET 62 HB1 MET 62 2.438 -4.585 -6.262 499 1HG MET 62 HG2 MET 62 4.503 -3.452 -4.394 500 2HG MET 62 HG1 MET 62 3.980 -5.134 -4.483 501 1HE MET 62 HE3 MET 62 7.007 -4.184 -4.658 502 2HE MET 62 HE2 MET 62 6.543 -5.882 -4.771 503 3HE MET 62 HE1 MET 62 7.612 -5.181 -5.981 504 H ASP 63 HN ASP 63 2.438 -3.798 -8.449 505 HA ASP 63 HA ASP 63 0.383 -2.199 -9.644 506 1HB ASP 63 HB2 ASP 63 2.028 -3.280 -11.001 507 2HB ASP 63 HB1 ASP 63 1.668 -4.841 -10.288 508 H ASP 64 HN ASP 64 0.548 -4.981 -7.611 509 HA ASP 64 HA ASP 64 -2.204 -5.772 -8.204 510 1HB ASP 64 HB2 ASP 64 -0.294 -7.473 -8.024 511 2HB ASP 64 HB1 ASP 64 -0.258 -7.113 -6.306 512 H ILE 65 HN ILE 65 -3.377 -6.514 -6.067 513 HA ILE 65 HA ILE 65 -3.571 -4.137 -4.462 514 HB ILE 65 HB ILE 65 -5.508 -5.288 -3.375 515 1HG1 ILE 65 2HG1 ILE 65 -5.087 -7.382 -5.534 516 2HG1 ILE 65 1HG1 ILE 65 -4.803 -7.634 -3.816 517 1HG2 ILE 65 2HG2 ILE 65 -5.569 -4.952 -6.360 518 2HG2 ILE 65 1HG2 ILE 65 -7.000 -5.083 -5.333 519 3HG2 ILE 65 3HG2 ILE 65 -5.894 -3.728 -5.130 520 1HD1 ILE 65 1HD1 ILE 65 -7.452 -6.999 -5.090 521 2HD1 ILE 65 3HD1 ILE 65 -6.923 -8.587 -4.549 522 3HD1 ILE 65 2HD1 ILE 65 -7.176 -7.297 -3.372 523 H SER 66 HN SER 66 -2.589 -7.475 -4.146 524 HA SER 66 HA SER 66 -0.539 -7.613 -2.660 525 1HB SER 66 HB2 SER 66 -1.577 -6.049 -0.867 526 2HB SER 66 HB1 SER 66 -2.697 -7.375 -0.542 527 HG SER 66 HG SER 66 -0.484 -7.002 0.635 528 HA PRO 67 HA PRO 67 -1.890 -11.774 -3.046 529 1HB PRO 67 HB2 PRO 67 -0.198 -13.014 -1.242 530 2HB PRO 67 HB1 PRO 67 0.248 -12.585 -2.895 531 1HG PRO 67 HG2 PRO 67 0.874 -11.198 -0.340 532 2HG PRO 67 HG1 PRO 67 1.849 -11.347 -1.809 533 1HD PRO 67 HD2 PRO 67 0.466 -9.097 -1.114 534 2HD PRO 67 HD1 PRO 67 0.822 -9.489 -2.793 535 H LEU 68 HN LEU 68 -1.554 -10.389 0.166 536 HA LEU 68 HA LEU 68 -3.170 -12.422 1.375 537 1HB LEU 68 HB2 LEU 68 -1.270 -10.873 2.391 538 2HB LEU 68 HB1 LEU 68 -2.621 -9.807 2.706 539 HG LEU 68 HG LEU 68 -2.059 -11.132 4.684 540 1HD1 LEU 68 2HD1 LEU 68 -4.416 -10.543 4.408 541 2HD1 LEU 68 1HD1 LEU 68 -4.650 -12.039 3.492 542 3HD1 LEU 68 3HD1 LEU 68 -4.229 -12.118 5.198 543 1HD2 LEU 68 1HD2 LEU 68 -1.108 -13.029 3.482 544 2HD2 LEU 68 3HD2 LEU 68 -2.251 -13.512 4.730 545 3HD2 LEU 68 2HD2 LEU 68 -2.741 -13.549 3.038 546 H SER 69 HN SER 69 -3.589 -9.106 0.261 547 HA SER 69 HA SER 69 -6.117 -8.602 1.303 548 1HB SER 69 HB2 SER 69 -4.850 -7.536 -1.215 549 2HB SER 69 HB1 SER 69 -6.152 -6.780 -0.286 550 HG SER 69 HG SER 69 -4.608 -5.895 0.857 551 H LYS 70 HN LYS 70 -5.255 -10.607 -1.326 552 HA LYS 70 HA LYS 70 -8.000 -10.670 -2.304 553 1HB LYS 70 HB2 LYS 70 -7.167 -11.975 -4.159 554 2HB LYS 70 HB1 LYS 70 -6.209 -10.516 -3.952 555 1HG LYS 70 HG2 LYS 70 -4.508 -11.893 -2.762 556 2HG LYS 70 HG1 LYS 70 -5.457 -13.317 -3.178 557 1HD LYS 70 HD2 LYS 70 -3.702 -13.074 -4.800 558 2HD LYS 70 HD1 LYS 70 -5.269 -12.683 -5.539 559 1HE LYS 70 HE2 LYS 70 -4.834 -10.336 -5.409 560 2HE LYS 70 HE1 LYS 70 -3.384 -10.598 -4.445 561 1HZ LYS 70 HZ3 LYS 70 -3.762 -11.436 -7.260 562 2HZ LYS 70 HZ2 LYS 70 -2.886 -10.088 -6.729 563 3HZ LYS 70 HZ1 LYS 70 -2.366 -11.640 -6.340 564 H VAL 71 HN VAL 71 -6.208 -12.184 0.055 565 HA VAL 71 HA VAL 71 -7.797 -14.634 -0.208 566 HB VAL 71 HB VAL 71 -6.303 -15.813 1.183 567 1HG1 VAL 71 2HG1 VAL 71 -5.361 -15.415 -0.993 568 2HG1 VAL 71 1HG1 VAL 71 -4.594 -13.956 -0.330 569 3HG1 VAL 71 3HG1 VAL 71 -4.092 -15.540 0.252 570 1HG2 VAL 71 2HG2 VAL 71 -6.037 -14.236 3.012 571 2HG2 VAL 71 1HG2 VAL 71 -4.472 -14.875 2.498 572 3HG2 VAL 71 3HG2 VAL 71 -4.972 -13.259 1.995 573 H ASN 72 HN ASN 72 -6.991 -11.984 1.851 574 HA ASN 72 HA ASN 72 -9.559 -12.153 3.098 575 1HB ASN 72 HB2 ASN 72 -8.335 -13.552 4.640 576 2HB ASN 72 HB1 ASN 72 -7.029 -12.379 4.754 577 1HD2 ASN 72 1HD2 ASN 72 -10.338 -13.127 5.668 578 2HD2 ASN 72 2HD2 ASN 72 -10.385 -12.035 6.990 579 H GLY 73 HN GLY 73 -9.539 -10.382 1.637 580 1HA GLY 73 HA1 GLY 73 -8.765 -8.068 1.426 581 2HA GLY 73 HA2 GLY 73 -8.859 -8.007 3.187 582 H TYR 74 HN TYR 74 -10.406 -6.274 2.943 583 HA TYR 74 HA TYR 74 -13.013 -6.805 1.870 584 1HB TYR 74 HB2 TYR 74 -12.316 -6.432 4.789 585 2HB TYR 74 HB1 TYR 74 -13.866 -5.974 4.118 586 HD1 TYR 74 HD1 TYR 74 -11.702 -8.818 5.028 587 HD2 TYR 74 HD2 TYR 74 -15.492 -7.608 3.600 588 HE1 TYR 74 HE1 TYR 74 -12.613 -11.044 5.561 589 HE2 TYR 74 HE2 TYR 74 -16.426 -9.719 4.097 590 HH TYR 74 HH TYR 74 -15.554 -12.149 4.408 591 H ILE 75 HN ILE 75 -13.712 -4.993 1.266 592 HA ILE 75 HA ILE 75 -12.136 -2.622 1.851 593 HB ILE 75 HB ILE 75 -14.207 -3.367 -0.111 594 1HG1 ILE 75 2HG1 ILE 75 -11.397 -2.419 -0.510 595 2HG1 ILE 75 1HG1 ILE 75 -11.895 -4.100 -0.400 596 1HG2 ILE 75 1HG2 ILE 75 -14.620 -0.955 0.497 597 2HG2 ILE 75 3HG2 ILE 75 -12.919 -0.587 0.214 598 3HG2 ILE 75 2HG2 ILE 75 -13.955 -1.030 -1.134 599 1HD1 ILE 75 1HD1 ILE 75 -13.234 -3.786 -2.435 600 2HD1 ILE 75 3HD1 ILE 75 -12.699 -2.110 -2.516 601 3HD1 ILE 75 2HD1 ILE 75 -11.531 -3.418 -2.710 602 H GLY 76 HN GLY 76 -12.790 -1.306 3.351 603 1HA GLY 76 HA1 GLY 76 -14.081 -1.364 5.419 604 2HA GLY 76 HA2 GLY 76 -15.491 -1.696 4.427 605 H VAL 77 HN VAL 77 -16.680 -0.116 3.948 606 HA VAL 77 HA VAL 77 -15.529 2.553 4.028 607 HB VAL 77 HB VAL 77 -17.978 1.635 2.533 608 1HG1 VAL 77 2HG1 VAL 77 -18.301 3.891 3.348 609 2HG1 VAL 77 1HG1 VAL 77 -16.762 4.390 2.659 610 3HG1 VAL 77 3HG1 VAL 77 -18.083 3.891 1.592 611 1HG2 VAL 77 3HG2 VAL 77 -15.227 2.431 1.638 612 2HG2 VAL 77 2HG2 VAL 77 -16.041 0.891 1.412 613 3HG2 VAL 77 1HG2 VAL 77 -16.597 2.308 0.529 614 H SER 78 HN SER 78 -16.308 4.007 5.330 615 HA SER 78 HA SER 78 -18.229 3.012 7.295 616 1HB SER 78 HB2 SER 78 -16.229 5.260 7.524 617 2HB SER 78 HB1 SER 78 -17.155 4.514 8.827 618 HG SER 78 HG SER 78 -15.764 2.727 7.320 619 H ASP 79 HN ASP 79 -19.529 4.888 8.306 620 HA ASP 79 HA ASP 79 -21.448 5.835 6.751 621 1HB ASP 79 HB2 ASP 79 -21.992 7.357 8.533 622 2HB ASP 79 HB1 ASP 79 -21.514 5.794 9.160 623 H ASN 80 HN ASN 80 -18.585 7.605 7.481 624 HA ASN 80 HA ASN 80 -19.380 9.970 6.004 625 1HB ASN 80 HB2 ASN 80 -16.851 9.212 7.438 626 2HB ASN 80 HB1 ASN 80 -16.929 10.652 6.433 627 1HD2 ASN 80 1HD2 ASN 80 -18.189 9.098 9.335 628 2HD2 ASN 80 2HD2 ASN 80 -18.774 10.541 10.039 629 H GLY 81 HN GLY 81 -18.854 7.213 4.723 630 1HA GLY 81 HA1 GLY 81 -18.058 8.201 2.212 631 2HA GLY 81 HA2 GLY 81 -18.366 6.524 2.658 632 H VAL 82 HN VAL 82 -16.572 6.491 4.744 633 HA VAL 82 HA VAL 82 -13.961 7.231 3.837 634 HB VAL 82 HB VAL 82 -14.613 5.274 6.049 635 1HG1 VAL 82 1HG1 VAL 82 -12.310 7.158 5.648 636 2HG1 VAL 82 3HG1 VAL 82 -12.551 6.106 7.047 637 3HG1 VAL 82 2HG1 VAL 82 -12.288 5.398 5.454 638 1HG2 VAL 82 2HG2 VAL 82 -14.562 8.281 6.196 639 2HG2 VAL 82 1HG2 VAL 82 -15.968 7.245 6.376 640 3HG2 VAL 82 3HG2 VAL 82 -14.685 7.196 7.590 641 H ILE 83 HN ILE 83 -13.033 6.249 2.307 642 HA ILE 83 HA ILE 83 -13.830 3.692 1.282 643 HB ILE 83 HB ILE 83 -11.845 5.633 0.011 644 1HG1 ILE 83 2HG1 ILE 83 -13.943 6.769 0.309 645 2HG1 ILE 83 1HG1 ILE 83 -13.823 6.297 -1.385 646 1HG2 ILE 83 2HG2 ILE 83 -13.460 3.343 -1.187 647 2HG2 ILE 83 1HG2 ILE 83 -12.448 4.465 -2.107 648 3HG2 ILE 83 3HG2 ILE 83 -11.723 3.353 -0.945 649 1HD1 ILE 83 1HD1 ILE 83 -15.356 4.855 0.746 650 2HD1 ILE 83 3HD1 ILE 83 -16.067 5.906 -0.485 651 3HD1 ILE 83 2HD1 ILE 83 -15.286 4.388 -0.953 652 H SER 84 HN SER 84 -12.695 3.039 3.528 653 HA SER 84 HA SER 84 -9.790 2.752 3.043 654 1HB SER 84 HB2 SER 84 -11.359 2.283 5.566 655 2HB SER 84 HB1 SER 84 -9.601 2.427 5.403 656 HG SER 84 HG SER 84 -11.142 4.399 4.345 657 H THR 85 HN THR 85 -8.824 0.649 3.616 658 HA THR 85 HA THR 85 -10.755 -1.476 3.176 659 HB THR 85 HB THR 85 -8.904 -2.800 2.242 660 HG1 THR 85 HG1 THR 85 -6.982 -1.668 1.771 661 1HG2 THR 85 1HG2 THR 85 -10.293 -1.408 0.771 662 2HG2 THR 85 3HG2 THR 85 -9.159 -0.072 0.975 663 3HG2 THR 85 2HG2 THR 85 -8.637 -1.555 0.174 664 H PHE 86 HN PHE 86 -10.238 -3.553 4.199 665 HA PHE 86 HA PHE 86 -8.792 -3.203 6.675 666 1HB PHE 86 HB2 PHE 86 -11.630 -4.238 6.414 667 2HB PHE 86 HB1 PHE 86 -10.655 -4.477 7.842 668 HD1 PHE 86 HD1 PHE 86 -10.931 -3.022 9.569 669 HD2 PHE 86 HD2 PHE 86 -11.914 -1.719 5.661 670 HE1 PHE 86 HE1 PHE 86 -11.846 -0.933 10.507 671 HE2 PHE 86 HE2 PHE 86 -12.827 0.381 6.578 672 HZ PHE 86 HZ PHE 86 -12.797 0.771 9.006 673 H HIS 87 HN HIS 87 -8.141 -5.290 7.568 674 HA HIS 87 HA HIS 87 -8.477 -7.583 5.787 675 1HB HIS 87 HB2 HIS 87 -6.520 -7.119 8.071 676 2HB HIS 87 HB1 HIS 87 -6.769 -8.699 7.341 677 HD1 HIS 87 HD1 HIS 87 -6.346 -8.587 4.542 678 HD2 HIS 87 HD2 HIS 87 -4.451 -5.815 6.993 679 HE1 HIS 87 HE1 HIS 87 -4.401 -7.677 3.206 680 H GLY 88 HN GLY 88 -10.055 -8.873 6.276 681 1HA GLY 88 HA1 GLY 88 -10.842 -9.219 9.041 682 2HA GLY 88 HA2 GLY 88 -11.495 -10.081 7.645 683 H ARG 89 HN ARG 89 -13.390 -9.374 9.136 684 HA ARG 89 HA ARG 89 -15.002 -7.614 7.714 685 1HB ARG 89 HB2 ARG 89 -15.310 -8.692 10.514 686 2HB ARG 89 HB1 ARG 89 -16.550 -7.768 9.683 687 1HG ARG 89 HG2 ARG 89 -15.411 -10.372 8.695 688 2HG ARG 89 HG1 ARG 89 -16.917 -10.213 9.599 689 1HD ARG 89 HD2 ARG 89 -17.789 -8.737 7.817 690 2HD ARG 89 HD1 ARG 89 -16.301 -8.993 6.908 691 HE ARG 89 HE ARG 89 -17.300 -11.484 7.462 692 1HH1 ARG 89 1HH1 ARG 89 -18.320 -8.650 5.594 693 2HH1 ARG 89 2HH1 ARG 89 -19.308 -9.547 4.531 694 1HH2 ARG 89 1HH2 ARG 89 -18.646 -12.696 5.988 695 2HH2 ARG 89 2HH2 ARG 89 -19.520 -11.891 4.780 696 HA PRO 90 HA PRO 90 -13.754 -3.743 9.481 697 1HB PRO 90 HB2 PRO 90 -15.753 -2.246 8.251 698 2HB PRO 90 HB1 PRO 90 -14.175 -2.609 7.554 699 1HG PRO 90 HG2 PRO 90 -16.789 -3.660 6.851 700 2HG PRO 90 HG1 PRO 90 -15.282 -3.810 5.957 701 1HD PRO 90 HD2 PRO 90 -16.614 -5.766 7.546 702 2HD PRO 90 HD1 PRO 90 -15.081 -5.960 6.686 703 H GLU 91 HN GLU 91 -14.296 -4.225 11.519 704 HA GLU 91 HA GLU 91 -16.936 -3.373 12.498 705 1HB GLU 91 HB2 GLU 91 -16.609 -5.091 14.280 706 2HB GLU 91 HB1 GLU 91 -16.542 -5.811 12.686 707 1HG GLU 91 HG2 GLU 91 -14.111 -5.774 12.774 708 2HG GLU 91 HG1 GLU 91 -14.180 -5.121 14.410 709 HA PRO 92 HA PRO 92 -14.638 -0.463 15.013 710 1HB PRO 92 HB2 PRO 92 -15.548 -0.881 17.587 711 2HB PRO 92 HB1 PRO 92 -16.374 0.116 16.381 712 1HG PRO 92 HG2 PRO 92 -16.955 -2.624 17.319 713 2HG PRO 92 HG1 PRO 92 -18.065 -1.392 16.713 714 1HD PRO 92 HD2 PRO 92 -17.193 -3.584 15.290 715 2HD PRO 92 HD1 PRO 92 -17.815 -2.093 14.531 716 H ALA 93 HN ALA 93 -14.555 -3.775 15.929 717 HA ALA 93 HA ALA 93 -12.206 -3.463 17.596 718 1HB ALA 93 HB3 ALA 93 -13.911 -5.116 18.174 719 2HB ALA 93 HB1 ALA 93 -12.350 -5.890 17.885 720 3HB ALA 93 HB2 ALA 93 -13.614 -5.958 16.652 721 H SER 94 HN SER 94 -12.690 -3.264 14.440 722 HA SER 94 HA SER 94 -10.120 -4.496 13.743 723 1HB SER 94 HB2 SER 94 -12.139 -5.410 12.542 724 2HB SER 94 HB1 SER 94 -12.426 -3.784 11.910 725 HG SER 94 HG SER 94 -11.254 -5.441 10.632 726 H GLU 95 HN GLU 95 -9.014 -3.180 12.005 727 HA GLU 95 HA GLU 95 -9.334 -0.311 12.563 728 1HB GLU 95 HB2 GLU 95 -6.743 -1.839 12.365 729 2HB GLU 95 HB1 GLU 95 -6.908 -0.113 12.641 730 1HG GLU 95 HG2 GLU 95 -7.974 -0.536 14.771 731 2HG GLU 95 HG1 GLU 95 -7.890 -2.267 14.486 732 HA PRO 96 HA PRO 96 -9.085 -0.123 8.067 733 1HB PRO 96 HB2 PRO 96 -8.233 2.666 8.378 734 2HB PRO 96 HB1 PRO 96 -9.700 2.036 7.633 735 1HG PRO 96 HG2 PRO 96 -9.709 3.369 9.973 736 2HG PRO 96 HG1 PRO 96 -10.884 2.097 9.588 737 1HD PRO 96 HD2 PRO 96 -8.461 1.986 11.333 738 2HD PRO 96 HD1 PRO 96 -10.049 1.211 11.537 739 H ILE 97 HN ILE 97 -7.475 -0.515 6.752 740 HA ILE 97 HA ILE 97 -4.788 -0.701 7.667 741 HB ILE 97 HB ILE 97 -5.887 -0.830 4.838 742 1HG1 ILE 97 2HG1 ILE 97 -5.194 -3.122 6.664 743 2HG1 ILE 97 1HG1 ILE 97 -6.816 -2.448 6.550 744 1HG2 ILE 97 3HG2 ILE 97 -3.255 -1.822 5.947 745 2HG2 ILE 97 2HG2 ILE 97 -3.841 -2.102 4.309 746 3HG2 ILE 97 1HG2 ILE 97 -3.467 -0.462 4.844 747 1HD1 ILE 97 3HD1 ILE 97 -5.266 -3.693 4.280 748 2HD1 ILE 97 2HD1 ILE 97 -6.586 -4.434 5.211 749 3HD1 ILE 97 1HD1 ILE 97 -6.907 -3.026 4.214 750 H GLN 98 HN GLN 98 -6.542 1.575 5.661 751 HA GLN 98 HA GLN 98 -4.682 3.614 6.185 752 1HB GLN 98 HB2 GLN 98 -4.011 4.125 3.937 753 2HB GLN 98 HB1 GLN 98 -3.736 2.424 4.169 754 1HG GLN 98 HG2 GLN 98 -5.812 3.783 2.482 755 2HG GLN 98 HG1 GLN 98 -4.561 2.640 2.006 756 1HE2 GLN 98 1HE2 GLN 98 -4.806 0.684 3.207 757 2HE2 GLN 98 2HE2 GLN 98 -6.356 -0.144 3.105 758 H SER 99 HN SER 99 -5.786 5.538 4.399 759 HA SER 99 HA SER 99 -8.474 4.802 4.051 760 1HB SER 99 HB2 SER 99 -9.237 7.121 4.968 761 2HB SER 99 HB1 SER 99 -8.869 5.837 6.122 762 HG SER 99 HG SER 99 -6.641 6.875 5.879 763 H PHE 100 HN PHE 100 -8.798 5.118 1.956 764 HA PHE 100 HA PHE 100 -7.051 6.748 0.459 765 1HB PHE 100 HB2 PHE 100 -9.528 5.263 -0.373 766 2HB PHE 100 HB1 PHE 100 -8.517 6.164 -1.492 767 HD1 PHE 100 HD1 PHE 100 -9.061 3.047 0.077 768 HD2 PHE 100 HD2 PHE 100 -6.021 5.539 -1.536 769 HE1 PHE 100 HE1 PHE 100 -7.600 1.093 -0.185 770 HE2 PHE 100 HE2 PHE 100 -4.554 3.590 -1.798 771 HZ PHE 100 HZ PHE 100 -5.346 1.366 -1.123 772 H PHE 101 HN PHE 101 -10.585 7.092 0.998 773 HA PHE 101 HA PHE 101 -10.387 9.938 0.643 774 1HB PHE 101 HB2 PHE 101 -10.217 8.904 -1.674 775 2HB PHE 101 HB1 PHE 101 -11.818 8.246 -1.429 776 HD1 PHE 101 HD1 PHE 101 -10.143 11.548 -1.077 777 HD2 PHE 101 HD2 PHE 101 -13.461 9.361 -2.572 778 HE1 PHE 101 HE1 PHE 101 -11.040 13.607 -2.073 779 HE2 PHE 101 HE2 PHE 101 -14.370 11.413 -3.569 780 HZ PHE 101 HZ PHE 101 -13.159 13.542 -3.318 781 H GLN 102 HN GLN 102 -12.805 10.794 0.605 782 HA GLN 102 HA GLN 102 -14.615 8.957 1.914 783 1HB GLN 102 HB2 GLN 102 -13.804 11.671 2.843 784 2HB GLN 102 HB1 GLN 102 -15.438 11.099 3.146 785 1HG GLN 102 HG2 GLN 102 -14.603 9.194 4.300 786 2HG GLN 102 HG1 GLN 102 -12.933 9.632 4.029 787 1HE2 GLN 102 1HE2 GLN 102 -15.633 11.734 4.859 788 2HE2 GLN 102 2HE2 GLN 102 -15.017 12.232 6.394 789 H ILE 103 HN ILE 103 -16.771 9.349 1.634 790 HA ILE 103 HA ILE 103 -17.666 11.239 -0.421 791 HB ILE 103 HB ILE 103 -18.774 9.471 -1.818 792 1HG1 ILE 103 2HG1 ILE 103 -17.424 7.500 0.046 793 2HG1 ILE 103 1HG1 ILE 103 -19.139 7.884 0.075 794 1HG2 ILE 103 2HG2 ILE 103 -16.506 10.132 -2.389 795 2HG2 ILE 103 1HG2 ILE 103 -15.879 8.808 -1.426 796 3HG2 ILE 103 3HG2 ILE 103 -16.872 8.466 -2.848 797 1HD1 ILE 103 2HD1 ILE 103 -19.358 7.071 -2.181 798 2HD1 ILE 103 1HD1 ILE 103 -17.642 6.639 -2.205 799 3HD1 ILE 103 3HD1 ILE 103 -18.753 5.827 -1.086 800 H ASP 104 HN ASP 104 -20.254 10.749 -0.659 801 HA ASP 104 HA ASP 104 -21.239 10.593 2.096 802 1HB ASP 104 HB2 ASP 104 -22.502 11.642 -0.414 803 2HB ASP 104 HB1 ASP 104 -23.432 11.385 1.047 804 H LEU 105 HN LEU 105 -21.976 8.717 2.792 805 HA LEU 105 HA LEU 105 -22.779 6.677 0.968 806 1HB LEU 105 HB2 LEU 105 -23.131 6.849 3.954 807 2HB LEU 105 HB1 LEU 105 -23.626 5.488 2.987 808 HG LEU 105 HG LEU 105 -20.918 6.324 3.860 809 1HD1 LEU 105 3HD1 LEU 105 -22.410 3.749 3.563 810 2HD1 LEU 105 2HD1 LEU 105 -20.765 3.868 4.210 811 3HD1 LEU 105 1HD1 LEU 105 -22.127 4.623 5.064 812 1HD2 LEU 105 2HD2 LEU 105 -21.517 4.749 1.376 813 2HD2 LEU 105 1HD2 LEU 105 -20.646 6.272 1.451 814 3HD2 LEU 105 3HD2 LEU 105 -19.926 4.809 2.145 815 H GLU 106 HN GLU 106 -24.311 9.193 2.759 816 HA GLU 106 HA GLU 106 -26.957 8.274 2.515 817 1HB GLU 106 HB2 GLU 106 -27.577 10.678 2.899 818 2HB GLU 106 HB1 GLU 106 -26.496 9.987 4.101 819 1HG GLU 106 HG2 GLU 106 -24.617 11.111 3.147 820 2HG GLU 106 HG1 GLU 106 -25.573 11.711 1.804 821 H ARG 107 HN ARG 107 -24.774 9.604 0.243 822 HA ARG 107 HA ARG 107 -26.959 10.167 -1.595 823 1HB ARG 107 HB2 ARG 107 -25.640 11.733 -2.546 824 2HB ARG 107 HB1 ARG 107 -24.634 11.559 -1.124 825 1HG ARG 107 HG2 ARG 107 -23.245 9.933 -2.352 826 2HG ARG 107 HG1 ARG 107 -24.247 10.223 -3.779 827 1HD ARG 107 HD2 ARG 107 -22.440 12.179 -2.352 828 2HD ARG 107 HD1 ARG 107 -22.308 11.566 -3.996 829 HE ARG 107 HE ARG 107 -24.765 12.947 -3.562 830 1HH1 ARG 107 1HH1 ARG 107 -21.358 13.446 -4.453 831 2HH1 ARG 107 2HH1 ARG 107 -21.634 15.036 -4.996 832 1HH2 ARG 107 1HH2 ARG 107 -25.091 15.094 -4.303 833 2HH2 ARG 107 2HH2 ARG 107 -23.776 16.005 -4.926 834 H LEU 108 HN LEU 108 -24.737 7.804 -0.740 835 HA LEU 108 HA LEU 108 -24.439 6.299 -3.122 836 1HB LEU 108 HB2 LEU 108 -24.047 5.710 -0.275 837 2HB LEU 108 HB1 LEU 108 -24.764 4.386 -1.161 838 HG LEU 108 HG LEU 108 -23.042 4.665 -2.812 839 1HD1 LEU 108 3HD1 LEU 108 -22.204 6.867 -1.978 840 2HD1 LEU 108 2HD1 LEU 108 -21.669 5.935 -0.542 841 3HD1 LEU 108 1HD1 LEU 108 -20.933 5.608 -2.101 842 1HD2 LEU 108 2HD2 LEU 108 -23.023 2.815 -1.353 843 2HD2 LEU 108 1HD2 LEU 108 -21.372 3.362 -1.661 844 3HD2 LEU 108 3HD2 LEU 108 -22.152 3.743 -0.136 845 H GLU 109 HN GLU 109 -25.393 4.202 -3.445 846 HA GLU 109 HA GLU 109 -28.230 4.268 -2.952 847 1HB GLU 109 HB2 GLU 109 -26.611 2.298 -4.593 848 2HB GLU 109 HB1 GLU 109 -28.366 2.514 -4.626 849 1HG GLU 109 HG2 GLU 109 -27.915 4.904 -5.357 850 2HG GLU 109 HG1 GLU 109 -26.254 4.403 -5.617 851 H SER 110 HN SER 110 -29.190 2.826 -1.639 852 HA SER 110 HA SER 110 -28.041 2.369 0.713 853 1HB SER 110 HB2 SER 110 -30.351 0.896 -0.501 854 2HB SER 110 HB1 SER 110 -29.960 0.905 1.220 855 HG SER 110 HG SER 110 -30.242 3.075 1.271 856 H HIS 111 HN HIS 111 -28.197 -0.214 -1.780 857 HA HIS 111 HA HIS 111 -27.066 -1.985 0.179 858 1HB HIS 111 HB2 HIS 111 -28.743 -2.760 -1.602 859 2HB HIS 111 HB1 HIS 111 -27.420 -2.658 -2.752 860 HD1 HIS 111 HD1 HIS 111 -26.496 -4.956 -3.193 861 HD2 HIS 111 HD2 HIS 111 -27.791 -4.504 0.729 862 HE1 HIS 111 HE1 HIS 111 -26.145 -7.181 -2.080 863 H MET 112 HN MET 112 -25.864 -0.086 -2.352 864 HA MET 112 HA MET 112 -23.321 -1.185 -2.652 865 1HB MET 112 HB2 MET 112 -24.408 1.587 -2.908 866 2HB MET 112 HB1 MET 112 -22.679 1.334 -3.035 867 1HG MET 112 HG2 MET 112 -24.742 -0.040 -4.740 868 2HG MET 112 HG1 MET 112 -23.854 1.412 -5.207 869 1HE MET 112 HE1 MET 112 -21.268 1.513 -5.518 870 2HE MET 112 HE3 MET 112 -20.983 0.804 -3.931 871 3HE MET 112 HE2 MET 112 -20.173 0.135 -5.350 872 H GLN 113 HN GLN 113 -24.360 1.383 -0.448 873 HA GLN 113 HA GLN 113 -21.877 1.539 0.877 874 1HB GLN 113 HB2 GLN 113 -23.511 2.374 2.869 875 2HB GLN 113 HB1 GLN 113 -22.921 3.432 1.601 876 1HG GLN 113 HG2 GLN 113 -24.900 3.604 0.706 877 2HG GLN 113 HG1 GLN 113 -25.289 1.943 1.006 878 1HE2 GLN 113 1HE2 GLN 113 -25.417 5.173 2.150 879 2HE2 GLN 113 2HE2 GLN 113 -26.328 4.926 3.582 880 H LYS 114 HN LYS 114 -24.807 -0.187 1.684 881 HA LYS 114 HA LYS 114 -23.884 -1.235 4.085 882 1HB LYS 114 HB2 LYS 114 -25.948 -2.347 2.221 883 2HB LYS 114 HB1 LYS 114 -25.618 -2.996 3.827 884 1HG LYS 114 HG2 LYS 114 -26.103 -0.761 4.773 885 2HG LYS 114 HG1 LYS 114 -26.565 -0.225 3.165 886 1HD LYS 114 HD2 LYS 114 -27.826 -2.510 4.637 887 2HD LYS 114 HD1 LYS 114 -28.495 -0.875 4.580 888 1HE LYS 114 HE2 LYS 114 -28.585 -1.091 2.089 889 2HE LYS 114 HE1 LYS 114 -28.071 -2.768 2.260 890 1HZ LYS 114 HZ1 LYS 114 -30.543 -1.613 3.414 891 2HZ LYS 114 HZ3 LYS 114 -30.465 -2.543 2.018 892 3HZ LYS 114 HZ2 LYS 114 -30.080 -3.239 3.493 893 H ASN 115 HN ASN 115 -23.290 -2.425 0.819 894 HA ASN 115 HA ASN 115 -22.195 -4.910 1.658 895 1HB ASN 115 HB2 ASN 115 -21.753 -3.322 -0.869 896 2HB ASN 115 HB1 ASN 115 -20.922 -4.840 -0.556 897 1HD2 ASN 115 1HD2 ASN 115 -22.657 -4.274 -2.680 898 2HD2 ASN 115 2HD2 ASN 115 -24.029 -5.309 -2.562 899 H LEU 116 HN LEU 116 -20.909 -1.760 1.153 900 HA LEU 116 HA LEU 116 -18.186 -2.412 1.557 901 1HB LEU 116 HB2 LEU 116 -19.611 0.208 1.930 902 2HB LEU 116 HB1 LEU 116 -17.888 -0.069 1.689 903 HG LEU 116 HG LEU 116 -19.941 -0.773 -0.405 904 1HD1 LEU 116 2HD1 LEU 116 -20.081 1.590 0.040 905 2HD1 LEU 116 1HD1 LEU 116 -18.337 1.738 -0.139 906 3HD1 LEU 116 3HD1 LEU 116 -19.323 1.267 -1.516 907 1HD2 LEU 116 1HD2 LEU 116 -16.956 -0.362 -0.511 908 2HD2 LEU 116 3HD2 LEU 116 -17.783 -1.918 -0.574 909 3HD2 LEU 116 2HD2 LEU 116 -18.003 -0.748 -1.875 910 H LEU 117 HN LEU 117 -20.822 -1.374 3.634 911 HA LEU 117 HA LEU 117 -19.495 -0.946 6.025 912 1HB LEU 117 HB2 LEU 117 -22.210 -2.216 5.703 913 2HB LEU 117 HB1 LEU 117 -21.580 -1.507 7.169 914 HG LEU 117 HG LEU 117 -22.350 -0.071 4.639 915 1HD1 LEU 117 3HD1 LEU 117 -24.218 -0.803 6.054 916 2HD1 LEU 117 2HD1 LEU 117 -23.491 0.038 7.419 917 3HD1 LEU 117 1HD1 LEU 117 -24.054 0.955 6.025 918 1HD2 LEU 117 2HD2 LEU 117 -21.187 1.043 7.178 919 2HD2 LEU 117 1HD2 LEU 117 -20.420 0.990 5.581 920 3HD2 LEU 117 3HD2 LEU 117 -21.860 1.979 5.830 921 H LYS 118 HN LYS 118 -20.783 -4.077 4.788 922 HA LYS 118 HA LYS 118 -19.543 -5.356 7.101 923 1HB LYS 118 HB2 LYS 118 -20.582 -7.404 6.575 924 2HB LYS 118 HB1 LYS 118 -21.784 -6.192 6.179 925 1HG LYS 118 HG2 LYS 118 -19.966 -7.155 4.044 926 2HG LYS 118 HG1 LYS 118 -21.238 -8.229 4.613 927 1HD LYS 118 HD2 LYS 118 -21.739 -5.417 3.673 928 2HD LYS 118 HD1 LYS 118 -21.756 -6.803 2.576 929 1HE LYS 118 HE2 LYS 118 -23.536 -7.820 3.847 930 2HE LYS 118 HE1 LYS 118 -23.499 -6.509 5.022 931 1HZ LYS 118 HZ1 LYS 118 -24.217 -6.267 2.143 932 2HZ LYS 118 HZ3 LYS 118 -25.285 -6.244 3.445 933 3HZ LYS 118 HZ2 LYS 118 -24.175 -4.996 3.278 934 H GLY 119 HN GLY 119 -18.621 -4.497 4.044 935 1HA GLY 119 HA1 GLY 119 -16.129 -5.886 4.419 936 2HA GLY 119 HA2 GLY 119 -16.430 -4.515 3.360 937 H ILE 120 HN ILE 120 -15.710 -5.345 1.497 938 HA ILE 120 HA ILE 120 -17.308 -7.465 0.332 939 HB ILE 120 HB ILE 120 -14.926 -6.275 -1.101 940 1HG1 ILE 120 2HG1 ILE 120 -16.167 -4.309 -0.356 941 2HG1 ILE 120 1HG1 ILE 120 -16.479 -4.557 -2.069 942 1HG2 ILE 120 2HG2 ILE 120 -16.174 -8.248 -1.984 943 2HG2 ILE 120 1HG2 ILE 120 -17.620 -7.272 -2.049 944 3HG2 ILE 120 3HG2 ILE 120 -16.248 -6.855 -3.089 945 1HD1 ILE 120 1HD1 ILE 120 -18.617 -5.601 -1.501 946 2HD1 ILE 120 3HD1 ILE 120 -18.222 -5.344 0.201 947 3HD1 ILE 120 2HD1 ILE 120 -18.495 -3.944 -0.853 948 HA PRO 121 HA PRO 121 -14.321 -10.313 1.986 949 1HB PRO 121 HB2 PRO 121 -15.618 -12.559 1.335 950 2HB PRO 121 HB1 PRO 121 -16.225 -11.463 2.583 951 1HG PRO 121 HG2 PRO 121 -17.069 -11.714 -0.280 952 2HG PRO 121 HG1 PRO 121 -18.097 -11.555 1.148 953 1HD PRO 121 HD2 PRO 121 -17.498 -9.500 -0.482 954 2HD PRO 121 HD1 PRO 121 -17.818 -9.306 1.250 955 H PHE 122 HN PHE 122 -14.947 -9.810 -1.170 956 HA PHE 122 HA PHE 122 -12.753 -11.530 -1.990 957 1HB PHE 122 HB2 PHE 122 -13.924 -12.438 -3.989 958 2HB PHE 122 HB1 PHE 122 -14.664 -12.966 -2.494 959 HD1 PHE 122 HD1 PHE 122 -15.065 -10.743 -5.428 960 HD2 PHE 122 HD2 PHE 122 -16.934 -12.470 -2.032 961 HE1 PHE 122 HE1 PHE 122 -17.256 -10.032 -6.287 962 HE2 PHE 122 HE2 PHE 122 -19.138 -11.752 -2.872 963 HZ PHE 122 HZ PHE 122 -19.296 -10.531 -5.006 964 H ARG 123 HN ARG 123 -11.385 -10.525 -3.238 965 HA ARG 123 HA ARG 123 -12.313 -8.591 -5.108 966 1HB ARG 123 HB2 ARG 123 -10.871 -6.778 -4.225 967 2HB ARG 123 HB1 ARG 123 -12.253 -7.171 -3.209 968 1HG ARG 123 HG2 ARG 123 -10.795 -8.495 -1.765 969 2HG ARG 123 HG1 ARG 123 -9.415 -8.042 -2.767 970 1HD ARG 123 HD2 ARG 123 -9.886 -5.695 -2.291 971 2HD ARG 123 HD1 ARG 123 -11.198 -6.196 -1.222 972 HE ARG 123 HE ARG 123 -9.157 -7.566 -0.266 973 1HH1 ARG 123 1HH1 ARG 123 -9.487 -4.127 -1.125 974 2HH1 ARG 123 2HH1 ARG 123 -8.274 -3.663 0.010 975 1HH2 ARG 123 1HH2 ARG 123 -7.571 -6.733 1.412 976 2HH2 ARG 123 2HH2 ARG 123 -7.244 -5.067 1.386 977 H THR 124 HN THR 124 -11.177 -8.767 -6.807 978 HA THR 124 HA THR 124 -8.351 -9.523 -6.683 979 HB THR 124 HB THR 124 -10.197 -9.378 -9.115 980 HG1 THR 124 HG1 THR 124 -11.070 -10.845 -7.771 981 1HG2 THR 124 3HG2 THR 124 -7.575 -10.804 -8.621 982 2HG2 THR 124 2HG2 THR 124 -8.552 -10.961 -10.089 983 3HG2 THR 124 1HG2 THR 124 -7.845 -9.400 -9.653 984 H LYS 125 HN LYS 125 -7.133 -8.113 -8.618 985 HA LYS 125 HA LYS 125 -7.160 -5.500 -7.697 986 1HB LYS 125 HB2 LYS 125 -5.690 -4.946 -9.577 987 2HB LYS 125 HB1 LYS 125 -5.182 -6.406 -8.750 988 1HG LYS 125 HG2 LYS 125 -6.176 -7.765 -10.543 989 2HG LYS 125 HG1 LYS 125 -6.682 -6.293 -11.364 990 1HD LYS 125 HD2 LYS 125 -3.852 -7.058 -10.722 991 2HD LYS 125 HD1 LYS 125 -4.598 -7.253 -12.308 992 1HE LYS 125 HE2 LYS 125 -4.963 -4.791 -12.388 993 2HE LYS 125 HE1 LYS 125 -4.124 -4.641 -10.850 994 1HZ LYS 125 HZ1 LYS 125 -2.922 -5.692 -13.359 995 2HZ LYS 125 HZ3 LYS 125 -2.737 -4.137 -12.784 996 3HZ LYS 125 HZ2 LYS 125 -2.067 -5.405 -11.936 997 H ALA 126 HN ALA 126 -8.869 -6.869 -10.457 998 HA ALA 126 HA ALA 126 -9.585 -4.358 -11.576 999 1HB ALA 126 HB3 ALA 126 -11.077 -5.689 -12.985 1000 2HB ALA 126 HB2 ALA 126 -9.450 -6.371 -12.902 1001 3HB ALA 126 HB1 ALA 126 -10.753 -7.092 -11.959 1002 H GLU 127 HN GLU 127 -10.939 -6.568 -9.308 1003 HA GLU 127 HA GLU 127 -13.573 -5.451 -9.319 1004 1HB GLU 127 HB2 GLU 127 -12.399 -7.118 -7.103 1005 2HB GLU 127 HB1 GLU 127 -14.074 -7.044 -7.644 1006 1HG GLU 127 HG2 GLU 127 -13.160 -8.054 -9.879 1007 2HG GLU 127 HG1 GLU 127 -11.734 -8.287 -8.962 1008 H PHE 128 HN PHE 128 -10.651 -5.077 -7.448 1009 HA PHE 128 HA PHE 128 -11.627 -3.381 -5.413 1010 1HB PHE 128 HB2 PHE 128 -9.498 -4.479 -5.154 1011 2HB PHE 128 HB1 PHE 128 -8.894 -3.782 -6.648 1012 HD1 PHE 128 HD1 PHE 128 -8.289 -1.452 -6.751 1013 HD2 PHE 128 HD2 PHE 128 -9.470 -3.269 -3.121 1014 HE1 PHE 128 HE1 PHE 128 -7.275 0.441 -5.490 1015 HE2 PHE 128 HE2 PHE 128 -8.492 -1.397 -1.841 1016 HZ PHE 128 HZ PHE 128 -7.397 0.459 -3.029 1017 H GLU 129 HN GLU 129 -9.942 -2.610 -8.481 1018 HA GLU 129 HA GLU 129 -10.296 0.150 -8.082 1019 1HB GLU 129 HB2 GLU 129 -9.705 0.379 -10.519 1020 2HB GLU 129 HB1 GLU 129 -8.529 -0.498 -9.549 1021 1HG GLU 129 HG2 GLU 129 -9.247 -2.561 -10.392 1022 2HG GLU 129 HG1 GLU 129 -10.650 -1.840 -11.155 1023 H ASP 130 HN ASP 130 -12.377 -2.275 -9.304 1024 HA ASP 130 HA ASP 130 -14.192 -0.674 -10.799 1025 1HB ASP 130 HB2 ASP 130 -14.143 -3.173 -10.867 1026 2HB ASP 130 HB1 ASP 130 -14.780 -3.188 -9.238 1027 H VAL 131 HN VAL 131 -14.187 -1.802 -7.490 1028 HA VAL 131 HA VAL 131 -16.542 -0.341 -6.882 1029 HB VAL 131 HB VAL 131 -16.151 -2.341 -5.575 1030 1HG1 VAL 131 2HG1 VAL 131 -13.752 -2.437 -5.687 1031 2HG1 VAL 131 1HG1 VAL 131 -13.632 -1.071 -4.581 1032 3HG1 VAL 131 3HG1 VAL 131 -14.320 -2.595 -4.021 1033 1HG2 VAL 131 2HG2 VAL 131 -15.750 0.050 -3.824 1034 2HG2 VAL 131 1HG2 VAL 131 -17.316 -0.591 -4.366 1035 3HG2 VAL 131 3HG2 VAL 131 -16.274 -1.543 -3.292 1036 H ILE 132 HN ILE 132 -13.099 0.276 -6.449 1037 HA ILE 132 HA ILE 132 -13.410 2.653 -5.013 1038 HB ILE 132 HB ILE 132 -11.187 1.293 -6.410 1039 1HG1 ILE 132 2HG1 ILE 132 -9.957 1.812 -4.332 1040 2HG1 ILE 132 1HG1 ILE 132 -11.316 2.773 -3.774 1041 1HG2 ILE 132 1HG2 ILE 132 -10.963 3.414 -7.469 1042 2HG2 ILE 132 3HG2 ILE 132 -10.970 4.246 -5.914 1043 3HG2 ILE 132 2HG2 ILE 132 -9.632 3.164 -6.330 1044 1HD1 ILE 132 1HD1 ILE 132 -11.322 -0.194 -4.276 1045 2HD1 ILE 132 3HD1 ILE 132 -11.262 0.602 -2.702 1046 3HD1 ILE 132 2HD1 ILE 132 -12.697 0.759 -3.711 1047 H GLU 133 HN GLU 133 -13.343 2.086 -8.520 1048 HA GLU 133 HA GLU 133 -13.382 4.846 -9.159 1049 1HB GLU 133 HB2 GLU 133 -13.877 4.180 -11.448 1050 2HB GLU 133 HB1 GLU 133 -12.671 3.085 -10.784 1051 1HG GLU 133 HG2 GLU 133 -14.357 1.431 -10.396 1052 2HG GLU 133 HG1 GLU 133 -15.583 2.525 -11.043 1053 H HIS 134 HN HIS 134 -15.803 2.595 -8.247 1054 HA HIS 134 HA HIS 134 -17.996 4.233 -9.115 1055 1HB HIS 134 HB2 HIS 134 -17.902 1.647 -8.661 1056 2HB HIS 134 HB1 HIS 134 -18.216 2.107 -6.993 1057 HD1 HIS 134 HD1 HIS 134 -19.998 0.989 -9.829 1058 HD2 HIS 134 HD2 HIS 134 -20.659 3.983 -7.032 1059 HE1 HIS 134 HE1 HIS 134 -22.461 1.474 -9.904 1060 H MET 135 HN MET 135 -16.110 3.761 -6.213 1061 HA MET 135 HA MET 135 -17.658 5.334 -4.410 1062 1HB MET 135 HB2 MET 135 -14.669 4.898 -4.433 1063 2HB MET 135 HB1 MET 135 -15.587 5.552 -3.097 1064 1HG MET 135 HG2 MET 135 -15.837 2.756 -4.191 1065 2HG MET 135 HG1 MET 135 -14.918 3.206 -2.768 1066 1HE MET 135 HE2 MET 135 -18.274 2.013 -4.159 1067 2HE MET 135 HE1 MET 135 -19.479 2.682 -3.066 1068 3HE MET 135 HE3 MET 135 -18.671 3.725 -4.236 1069 H LYS 136 HN LYS 136 -14.905 6.158 -6.436 1070 HA LYS 136 HA LYS 136 -14.995 8.896 -5.736 1071 1HB LYS 136 HB2 LYS 136 -13.399 9.294 -7.583 1072 2HB LYS 136 HB1 LYS 136 -12.908 8.015 -6.483 1073 1HG LYS 136 HG2 LYS 136 -13.698 6.372 -8.058 1074 2HG LYS 136 HG1 LYS 136 -14.146 7.646 -9.188 1075 1HD LYS 136 HD2 LYS 136 -11.954 6.680 -9.786 1076 2HD LYS 136 HD1 LYS 136 -11.798 8.370 -9.305 1077 1HE LYS 136 HE2 LYS 136 -10.996 7.738 -7.136 1078 2HE LYS 136 HE1 LYS 136 -11.303 6.035 -7.459 1079 1HZ LYS 136 HZ2 LYS 136 -9.346 7.755 -8.895 1080 2HZ LYS 136 HZ1 LYS 136 -8.958 6.633 -7.699 1081 3HZ LYS 136 HZ3 LYS 136 -9.588 6.122 -9.174 1082 H THR 137 HN THR 137 -16.883 7.061 -7.887 1083 HA THR 137 HA THR 137 -17.564 9.198 -9.595 1084 HB THR 137 HB THR 137 -17.974 6.485 -9.716 1085 HG1 THR 137 HG1 THR 137 -18.629 8.659 -11.181 1086 1HG2 THR 137 3HG2 THR 137 -20.692 7.707 -9.176 1087 2HG2 THR 137 2HG2 THR 137 -20.422 6.077 -9.805 1088 3HG2 THR 137 1HG2 THR 137 -19.875 6.503 -8.180 1089 H TYR 138 HN TYR 138 -18.483 8.335 -6.333 1090 HA TYR 138 HA TYR 138 -20.813 10.038 -6.399 1091 1HB TYR 138 HB2 TYR 138 -19.386 8.643 -4.128 1092 2HB TYR 138 HB1 TYR 138 -20.809 9.654 -3.927 1093 HD1 TYR 138 HD1 TYR 138 -19.572 6.426 -4.783 1094 HD2 TYR 138 HD2 TYR 138 -22.902 8.985 -4.987 1095 HE1 TYR 138 HE1 TYR 138 -21.005 4.466 -5.171 1096 HE2 TYR 138 HE2 TYR 138 -24.401 7.046 -5.398 1097 HH TYR 138 HH TYR 138 -24.134 4.743 -6.326 1098 H SER 139 HN SER 139 -17.650 9.905 -4.836 1099 HA SER 139 HA SER 139 -16.420 11.448 -3.762 1100 1HB SER 139 HB2 SER 139 -15.746 13.314 -5.393 1101 2HB SER 139 HB1 SER 139 -15.421 11.650 -5.840 1102 HG SER 139 HG SER 139 -16.810 11.712 -7.355 1103 H GLY 140 HN GLY 140 -18.970 11.720 -2.859 1104 1HA GLY 140 HA1 GLY 140 -20.343 13.203 -1.739 1105 2HA GLY 140 HA2 GLY 140 -19.808 14.435 -2.877 No H/Q in entry = 1105 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 38.863 0.104 -10.907 2 H2 ALA 1 HT3 ALA 1 38.193 0.337 -12.438 3 H3 ALA 1 HT2 ALA 1 38.632 1.666 -11.486 4 HA ALA 1 HA ALA 1 36.283 1.417 -11.436 5 1HB ALA 1 HB2 ALA 1 36.208 -0.984 -11.940 6 2HB ALA 1 HB3 ALA 1 35.279 -0.596 -10.494 7 3HB ALA 1 HB1 ALA 1 36.873 -1.335 -10.344 8 H GLU 2 HN GLU 2 35.520 2.552 -9.730 9 HA GLU 2 HA GLU 2 37.078 2.352 -7.278 10 1HB GLU 2 HB2 GLU 2 35.226 4.507 -8.251 11 2HB GLU 2 HB1 GLU 2 35.938 4.464 -6.650 12 1HG GLU 2 HG2 GLU 2 38.154 4.586 -7.649 13 2HG GLU 2 HG1 GLU 2 37.410 4.675 -9.251 14 H VAL 3 HN VAL 3 36.242 1.542 -5.565 15 HA VAL 3 HA VAL 3 33.422 0.931 -5.514 16 HB VAL 3 HB VAL 3 33.949 -0.234 -3.351 17 1HG1 VAL 3 1HG1 VAL 3 35.660 -1.056 -5.688 18 2HG1 VAL 3 3HG1 VAL 3 35.214 -2.090 -4.330 19 3HG1 VAL 3 2HG1 VAL 3 33.967 -1.485 -5.422 20 1HG2 VAL 3 3HG2 VAL 3 36.808 0.487 -4.019 21 2HG2 VAL 3 2HG2 VAL 3 35.863 1.109 -2.664 22 3HG2 VAL 3 1HG2 VAL 3 36.297 -0.601 -2.724 23 H GLU 4 HN GLU 4 32.402 1.447 -3.292 24 HA GLU 4 HA GLU 4 33.101 4.211 -2.768 25 1HB GLU 4 HB2 GLU 4 30.429 2.805 -2.670 26 2HB GLU 4 HB1 GLU 4 30.690 4.479 -2.152 27 1HG GLU 4 HG2 GLU 4 31.393 5.140 -4.316 28 2HG GLU 4 HG1 GLU 4 31.459 3.484 -4.870 29 H HIS 5 HN HIS 5 34.049 4.533 -1.035 30 HA HIS 5 HA HIS 5 35.078 4.284 0.905 31 1HB HIS 5 HB2 HIS 5 32.853 2.382 1.617 32 2HB HIS 5 HB1 HIS 5 34.120 2.884 2.716 33 HD1 HIS 5 HD1 HIS 5 33.900 5.151 3.867 34 HD2 HIS 5 HD2 HIS 5 30.939 4.460 1.035 35 HE1 HIS 5 HE1 HIS 5 32.202 6.987 4.168 36 H TYR 6 HN TYR 6 35.731 2.051 2.391 37 HA TYR 6 HA TYR 6 37.348 0.828 0.296 38 1HB TYR 6 HB2 TYR 6 37.887 1.296 3.207 39 2HB TYR 6 HB1 TYR 6 38.975 0.472 2.094 40 HD1 TYR 6 HD1 TYR 6 37.230 3.644 2.702 41 HD2 TYR 6 HD2 TYR 6 40.411 1.711 0.710 42 HE1 TYR 6 HE1 TYR 6 38.122 5.853 2.023 43 HE2 TYR 6 HE2 TYR 6 41.322 3.893 0.000 44 HH TYR 6 HH TYR 6 40.439 6.170 -0.385 45 H GLU 7 HN GLU 7 35.098 0.141 2.731 46 HA GLU 7 HA GLU 7 35.535 -2.732 2.336 47 1HB GLU 7 HB2 GLU 7 34.283 -1.281 4.680 48 2HB GLU 7 HB1 GLU 7 34.478 -3.017 4.536 49 1HG GLU 7 HG2 GLU 7 36.902 -2.745 4.558 50 2HG GLU 7 HG1 GLU 7 36.679 -0.996 4.680 51 HA PRO 8 HA PRO 8 31.467 -2.786 0.528 52 1HB PRO 8 HB2 PRO 8 30.328 -4.775 2.109 53 2HB PRO 8 HB1 PRO 8 31.094 -5.021 0.530 54 1HG PRO 8 HG2 PRO 8 32.121 -5.492 3.266 55 2HG PRO 8 HG1 PRO 8 32.573 -6.290 1.752 56 1HD PRO 8 HD2 PRO 8 34.156 -4.510 3.005 57 2HD PRO 8 HD1 PRO 8 34.126 -4.694 1.235 58 H LEU 9 HN LEU 9 29.361 -2.239 1.013 59 HA LEU 9 HA LEU 9 29.220 -0.619 3.455 60 1HB LEU 9 HB2 LEU 9 28.754 0.063 0.810 61 2HB LEU 9 HB1 LEU 9 27.180 -0.409 1.336 62 HG LEU 9 HG LEU 9 27.459 2.019 1.483 63 1HD1 LEU 9 3HD1 LEU 9 27.121 0.704 4.165 64 2HD1 LEU 9 2HD1 LEU 9 26.663 2.360 3.777 65 3HD1 LEU 9 1HD1 LEU 9 25.857 1.011 2.978 66 1HD2 LEU 9 2HD2 LEU 9 29.846 2.094 1.978 67 2HD2 LEU 9 1HD2 LEU 9 28.917 3.013 3.161 68 3HD2 LEU 9 3HD2 LEU 9 29.533 1.418 3.579 69 H GLN 10 HN GLN 10 27.973 -1.409 5.037 70 HA GLN 10 HA GLN 10 26.129 -3.485 4.417 71 1HB GLN 10 HB2 GLN 10 27.040 -2.275 6.997 72 2HB GLN 10 HB1 GLN 10 25.670 -3.374 6.943 73 1HG GLN 10 HG2 GLN 10 27.151 -5.053 5.948 74 2HG GLN 10 HG1 GLN 10 28.509 -3.940 6.137 75 1HE2 GLN 10 1HE2 GLN 10 29.561 -5.354 7.475 76 2HE2 GLN 10 2HE2 GLN 10 29.091 -5.610 9.109 77 H VAL 11 HN VAL 11 24.452 -2.766 3.492 78 HA VAL 11 HA VAL 11 23.180 -0.264 4.280 79 HB VAL 11 HB VAL 11 22.363 -2.066 2.037 80 1HG1 VAL 11 3HG1 VAL 11 20.837 -0.320 2.643 81 2HG1 VAL 11 2HG1 VAL 11 22.102 0.891 2.427 82 3HG1 VAL 11 1HG1 VAL 11 21.517 -0.029 1.040 83 1HG2 VAL 11 3HG2 VAL 11 24.515 0.041 1.872 84 2HG2 VAL 11 2HG2 VAL 11 24.705 -1.710 1.675 85 3HG2 VAL 11 1HG2 VAL 11 23.776 -0.796 0.503 86 H HIS 12 HN HIS 12 21.514 -0.451 5.616 87 HA HIS 12 HA HIS 12 20.034 -2.957 5.675 88 1HB HIS 12 HB2 HIS 12 19.782 -0.504 7.439 89 2HB HIS 12 HB1 HIS 12 18.927 -2.046 7.636 90 HD1 HIS 12 HD1 HIS 12 22.372 -0.533 8.017 91 HD2 HIS 12 HD2 HIS 12 20.318 -4.017 8.956 92 HE1 HIS 12 HE1 HIS 12 23.881 -1.838 9.550 93 H VAL 13 HN VAL 13 18.542 -3.066 4.290 94 HA VAL 13 HA VAL 13 17.437 -0.644 3.004 95 HB VAL 13 HB VAL 13 17.198 -3.438 1.990 96 1HG1 VAL 13 1HG1 VAL 13 15.900 -1.781 0.897 97 2HG1 VAL 13 3HG1 VAL 13 17.332 -0.790 0.598 98 3HG1 VAL 13 2HG1 VAL 13 17.167 -2.375 -0.174 99 1HG2 VAL 13 2HG2 VAL 13 19.578 -3.217 2.424 100 2HG2 VAL 13 1HG2 VAL 13 19.263 -3.198 0.688 101 3HG2 VAL 13 3HG2 VAL 13 19.616 -1.694 1.538 102 H GLN 14 HN GLN 14 15.488 -0.150 3.649 103 HA GLN 14 HA GLN 14 13.688 -2.307 4.480 104 1HB GLN 14 HB2 GLN 14 13.723 -0.228 5.896 105 2HB GLN 14 HB1 GLN 14 13.163 0.692 4.504 106 1HG GLN 14 HG2 GLN 14 11.099 -0.640 4.453 107 2HG GLN 14 HG1 GLN 14 11.660 -1.561 5.839 108 1HE2 GLN 14 1HE2 GLN 14 10.280 1.410 4.750 109 2HE2 GLN 14 2HE2 GLN 14 9.938 2.072 6.295 110 H LEU 15 HN LEU 15 12.657 -3.255 2.906 111 HA LEU 15 HA LEU 15 12.163 -1.754 0.452 112 1HB LEU 15 HB2 LEU 15 12.115 -4.719 1.010 113 2HB LEU 15 HB1 LEU 15 11.748 -3.988 -0.535 114 HG LEU 15 HG LEU 15 14.419 -3.895 0.858 115 1HD1 LEU 15 3HD1 LEU 15 13.400 -5.556 -1.428 116 2HD1 LEU 15 2HD1 LEU 15 15.098 -5.391 -1.009 117 3HD1 LEU 15 1HD1 LEU 15 13.965 -6.129 0.141 118 1HD2 LEU 15 1HD2 LEU 15 13.581 -2.983 -1.894 119 2HD2 LEU 15 3HD2 LEU 15 14.064 -1.941 -0.556 120 3HD2 LEU 15 2HD2 LEU 15 15.234 -3.034 -1.293 121 H GLU 16 HN GLU 16 10.254 -0.883 0.396 122 HA GLU 16 HA GLU 16 8.012 -2.132 1.827 123 1HB GLU 16 HB2 GLU 16 8.161 0.527 0.416 124 2HB GLU 16 HB1 GLU 16 6.832 -0.051 1.400 125 1HG GLU 16 HG2 GLU 16 8.215 0.033 3.375 126 2HG GLU 16 HG1 GLU 16 9.606 0.534 2.409 127 H LYS 17 HN LYS 17 6.253 -2.805 0.781 128 HA LYS 17 HA LYS 17 6.299 -2.829 -2.159 129 1HB LYS 17 HB2 LYS 17 5.389 -4.776 -0.090 130 2HB LYS 17 HB1 LYS 17 4.586 -4.760 -1.641 131 1HG LYS 17 HG2 LYS 17 6.270 -6.530 -1.441 132 2HG LYS 17 HG1 LYS 17 6.619 -5.415 -2.749 133 1HD LYS 17 HD2 LYS 17 8.378 -4.394 -1.468 134 2HD LYS 17 HD1 LYS 17 7.916 -5.307 -0.031 135 1HE LYS 17 HE2 LYS 17 9.907 -6.224 -1.260 136 2HE LYS 17 HE1 LYS 17 8.582 -7.371 -1.034 137 1HZ LYS 17 HZ1 LYS 17 9.172 -5.885 -3.544 138 2HZ LYS 17 HZ3 LYS 17 9.488 -7.509 -3.236 139 3HZ LYS 17 HZ2 LYS 17 7.916 -6.996 -3.291 140 H VAL 18 HN VAL 18 4.987 -1.114 -2.636 141 HA VAL 18 HA VAL 18 2.744 -0.582 -0.849 142 HB VAL 18 HB VAL 18 3.803 1.084 -3.151 143 1HG1 VAL 18 3HG1 VAL 18 1.447 1.522 -2.666 144 2HG1 VAL 18 2HG1 VAL 18 1.838 1.787 -0.966 145 3HG1 VAL 18 1HG1 VAL 18 2.451 2.894 -2.193 146 1HG2 VAL 18 3HG2 VAL 18 4.258 1.363 -0.181 147 2HG2 VAL 18 2HG2 VAL 18 5.455 0.916 -1.394 148 3HG2 VAL 18 1HG2 VAL 18 4.750 2.536 -1.405 149 H TYR 19 HN TYR 19 0.860 -1.390 -1.353 150 HA TYR 19 HA TYR 19 0.413 -2.146 -4.144 151 1HB TYR 19 HB2 TYR 19 -0.931 -3.137 -1.646 152 2HB TYR 19 HB1 TYR 19 -1.174 -3.733 -3.282 153 HD1 TYR 19 HD1 TYR 19 1.047 -3.713 -0.377 154 HD2 TYR 19 HD2 TYR 19 0.460 -5.145 -4.317 155 HE1 TYR 19 HE1 TYR 19 2.736 -5.450 0.019 156 HE2 TYR 19 HE2 TYR 19 2.181 -6.886 -3.945 157 HH TYR 19 HH TYR 19 4.074 -7.319 -2.453 158 H LEU 20 HN LEU 20 -1.960 -2.101 -4.672 159 HA LEU 20 HA LEU 20 -2.996 0.505 -4.398 160 1HB LEU 20 HB2 LEU 20 -4.398 -2.027 -5.258 161 2HB LEU 20 HB1 LEU 20 -5.137 -0.452 -5.316 162 HG LEU 20 HG LEU 20 -3.304 0.205 -6.909 163 1HD1 LEU 20 3HD1 LEU 20 -2.873 -2.765 -6.998 164 2HD1 LEU 20 2HD1 LEU 20 -2.216 -1.603 -8.148 165 3HD1 LEU 20 1HD1 LEU 20 -1.715 -1.551 -6.456 166 1HD2 LEU 20 2HD2 LEU 20 -5.570 -0.242 -7.648 167 2HD2 LEU 20 1HD2 LEU 20 -4.407 -0.838 -8.834 168 3HD2 LEU 20 3HD2 LEU 20 -5.213 -1.968 -7.748 169 H ASP 21 HN ASP 21 -3.606 -2.434 -2.756 170 HA ASP 21 HA ASP 21 -6.050 -1.987 -1.491 171 1HB ASP 21 HB2 ASP 21 -5.058 -4.158 -1.405 172 2HB ASP 21 HB1 ASP 21 -3.669 -3.547 -0.513 173 H GLY 22 HN GLY 22 -2.867 -1.089 -0.382 174 1HA GLY 22 HA1 GLY 22 -4.140 0.083 1.974 175 2HA GLY 22 HA2 GLY 22 -2.900 0.982 1.126 176 H ASP 23 HN ASP 23 -3.238 -2.432 1.891 177 HA ASP 23 HA ASP 23 -1.309 -2.520 3.941 178 1HB ASP 23 HB2 ASP 23 -2.917 -4.342 3.732 179 2HB ASP 23 HB1 ASP 23 -2.351 -4.699 2.107 180 H VAL 24 HN VAL 24 0.753 -2.642 3.860 181 HA VAL 24 HA VAL 24 2.140 -3.034 1.314 182 HB VAL 24 HB VAL 24 2.343 -0.714 1.568 183 1HG1 VAL 24 2HG1 VAL 24 2.719 -1.173 4.510 184 2HG1 VAL 24 1HG1 VAL 24 2.721 0.423 3.715 185 3HG1 VAL 24 3HG1 VAL 24 1.270 -0.596 3.672 186 1HG2 VAL 24 2HG2 VAL 24 4.714 -1.796 3.088 187 2HG2 VAL 24 1HG2 VAL 24 4.574 -1.657 1.335 188 3HG2 VAL 24 3HG2 VAL 24 4.628 -0.202 2.333 189 H SER 25 HN SER 25 3.710 -4.366 1.328 190 HA SER 25 HA SER 25 4.218 -5.838 3.768 191 1HB SER 25 HB2 SER 25 5.263 -6.347 0.967 192 2HB SER 25 HB1 SER 25 5.215 -7.488 2.306 193 HG SER 25 HG SER 25 3.472 -7.250 0.474 194 H ILE 26 HN ILE 26 5.796 -5.298 5.025 195 HA ILE 26 HA ILE 26 7.916 -3.575 4.013 196 HB ILE 26 HB ILE 26 7.127 -4.308 6.840 197 1HG1 ILE 26 2HG1 ILE 26 5.419 -2.920 5.822 198 2HG1 ILE 26 1HG1 ILE 26 6.312 -1.964 7.003 199 1HG2 ILE 26 3HG2 ILE 26 9.498 -3.762 6.713 200 2HG2 ILE 26 2HG2 ILE 26 9.116 -2.255 5.876 201 3HG2 ILE 26 1HG2 ILE 26 8.616 -2.482 7.552 202 1HD1 ILE 26 3HD1 ILE 26 7.581 -0.952 5.163 203 2HD1 ILE 26 2HD1 ILE 26 6.608 -1.904 4.031 204 3HD1 ILE 26 1HD1 ILE 26 5.837 -0.675 5.028 205 H GLU 27 HN GLU 27 9.855 -4.395 3.650 206 HA GLU 27 HA GLU 27 10.569 -6.934 4.926 207 1HB GLU 27 HB2 GLU 27 10.148 -7.091 2.494 208 2HB GLU 27 HB1 GLU 27 11.374 -5.868 2.228 209 1HG GLU 27 HG2 GLU 27 12.407 -7.905 1.783 210 2HG GLU 27 HG1 GLU 27 12.988 -7.393 3.346 211 H HIS 28 HN HIS 28 12.695 -7.055 5.633 212 HA HIS 28 HA HIS 28 14.229 -4.540 5.658 213 1HB HIS 28 HB2 HIS 28 14.071 -6.562 7.903 214 2HB HIS 28 HB1 HIS 28 15.008 -5.081 7.914 215 HD1 HIS 28 HD1 HIS 28 12.434 -6.104 9.795 216 HD2 HIS 28 HD2 HIS 28 12.651 -3.038 7.018 217 HE1 HIS 28 HE1 HIS 28 10.636 -4.488 10.427 218 H LYS 29 HN LYS 29 15.974 -4.921 4.440 219 HA LYS 29 HA LYS 29 17.247 -7.545 4.653 220 1HB LYS 29 HB2 LYS 29 17.206 -5.591 2.381 221 2HB LYS 29 HB1 LYS 29 18.361 -6.895 2.461 222 1HG LYS 29 HG2 LYS 29 16.014 -8.240 2.768 223 2HG LYS 29 HG1 LYS 29 15.524 -6.891 1.748 224 1HD LYS 29 HD2 LYS 29 17.879 -8.646 1.244 225 2HD LYS 29 HD1 LYS 29 16.316 -8.864 0.433 226 1HE LYS 29 HE2 LYS 29 16.570 -6.587 -0.528 227 2HE LYS 29 HE1 LYS 29 18.135 -6.437 0.261 228 1HZ LYS 29 HZ3 LYS 29 17.431 -8.431 -1.826 229 2HZ LYS 29 HZ2 LYS 29 18.319 -7.027 -2.066 230 3HZ LYS 29 HZ1 LYS 29 18.954 -8.257 -1.111 231 H HIS 30 HN HIS 30 19.396 -7.582 4.836 232 HA HIS 30 HA HIS 30 20.751 -5.016 5.079 233 1HB HIS 30 HB2 HIS 30 22.241 -5.883 6.850 234 2HB HIS 30 HB1 HIS 30 20.568 -5.922 7.371 235 HD1 HIS 30 HD1 HIS 30 23.537 -7.908 7.476 236 HD2 HIS 30 HD2 HIS 30 19.491 -8.714 6.998 237 HE1 HIS 30 HE1 HIS 30 23.230 -10.335 8.061 238 H GLU 31 HN GLU 31 22.191 -4.792 3.459 239 HA GLU 31 HA GLU 31 23.475 -7.294 2.639 240 1HB GLU 31 HB2 GLU 31 23.374 -6.635 0.276 241 2HB GLU 31 HB1 GLU 31 21.773 -6.910 0.975 242 1HG GLU 31 HG2 GLU 31 21.450 -4.494 1.066 243 2HG GLU 31 HG1 GLU 31 23.067 -4.266 0.394 244 H LYS 32 HN LYS 32 25.509 -7.129 1.694 245 HA LYS 32 HA LYS 32 26.758 -4.590 2.267 246 1HB LYS 32 HB2 LYS 32 27.873 -7.357 2.075 247 2HB LYS 32 HB1 LYS 32 28.896 -5.953 1.880 248 1HG LYS 32 HG2 LYS 32 28.072 -5.210 4.130 249 2HG LYS 32 HG1 LYS 32 27.376 -6.784 4.410 250 1HD LYS 32 HD2 LYS 32 30.243 -5.933 4.204 251 2HD LYS 32 HD1 LYS 32 29.471 -6.955 5.409 252 1HE LYS 32 HE2 LYS 32 29.263 -8.731 3.612 253 2HE LYS 32 HE1 LYS 32 30.203 -7.617 2.602 254 1HZ LYS 32 HZ2 LYS 32 32.043 -7.760 4.130 255 2HZ LYS 32 HZ1 LYS 32 31.204 -8.789 5.153 256 3HZ LYS 32 HZ3 LYS 32 31.646 -9.288 3.604 257 H VAL 33 HN VAL 33 27.422 -3.429 0.726 258 HA VAL 33 HA VAL 33 27.841 -4.669 -1.841 259 HB VAL 33 HB VAL 33 25.673 -3.926 -2.238 260 1HG1 VAL 33 1HG1 VAL 33 26.271 -1.411 -0.738 261 2HG1 VAL 33 3HG1 VAL 33 24.804 -1.734 -1.669 262 3HG1 VAL 33 2HG1 VAL 33 25.184 -2.751 -0.288 263 1HG2 VAL 33 1HG2 VAL 33 27.138 -3.155 -3.972 264 2HG2 VAL 33 3HG2 VAL 33 25.785 -2.040 -3.744 265 3HG2 VAL 33 2HG2 VAL 33 27.372 -1.644 -3.075 266 H PHE 34 HN PHE 34 29.555 -3.904 -3.039 267 HA PHE 34 HA PHE 34 31.443 -2.322 -1.577 268 1HB PHE 34 HB2 PHE 34 31.596 -3.367 -4.407 269 2HB PHE 34 HB1 PHE 34 32.912 -2.690 -3.474 270 HD1 PHE 34 HD1 PHE 34 31.490 -5.624 -4.585 271 HD2 PHE 34 HD2 PHE 34 33.233 -3.922 -1.108 272 HE1 PHE 34 HE1 PHE 34 32.058 -7.878 -3.777 273 HE2 PHE 34 HE2 PHE 34 33.812 -6.175 -0.298 274 HZ PHE 34 HZ PHE 34 33.222 -8.151 -1.637 275 H SER 35 HN SER 35 29.200 -1.762 -4.157 276 HA SER 35 HA SER 35 30.103 1.007 -4.197 277 1HB SER 35 HB2 SER 35 31.028 -0.115 -6.187 278 2HB SER 35 HB1 SER 35 29.406 -0.644 -6.646 279 HG SER 35 HG SER 35 29.557 2.064 -6.247 280 H MET 36 HN MET 36 28.488 2.083 -3.412 281 HA MET 36 HA MET 36 25.818 1.362 -3.181 282 1HB MET 36 HB2 MET 36 27.189 4.031 -3.295 283 2HB MET 36 HB1 MET 36 25.451 3.915 -3.079 284 1HG MET 36 HG2 MET 36 26.899 2.190 -1.276 285 2HG MET 36 HG1 MET 36 27.375 3.884 -1.098 286 1HE MET 36 HE2 MET 36 24.241 1.483 -1.412 287 2HE MET 36 HE1 MET 36 22.952 2.570 -0.818 288 3HE MET 36 HE3 MET 36 23.782 2.942 -2.310 289 H ASP 37 HN ASP 37 27.547 2.739 -5.787 290 HA ASP 37 HA ASP 37 25.428 3.585 -7.451 291 1HB ASP 37 HB2 ASP 37 27.620 4.359 -7.907 292 2HB ASP 37 HB1 ASP 37 28.250 2.724 -8.027 293 H ASP 38 HN ASP 38 26.815 0.412 -6.949 294 HA ASP 38 HA ASP 38 25.429 -0.823 -9.172 295 1HB ASP 38 HB2 ASP 38 27.504 -1.859 -8.113 296 2HB ASP 38 HB1 ASP 38 26.488 -2.115 -6.686 297 H PHE 39 HN PHE 39 24.964 -0.289 -5.787 298 HA PHE 39 HA PHE 39 22.704 -1.851 -5.338 299 1HB PHE 39 HB2 PHE 39 24.147 -0.923 -3.586 300 2HB PHE 39 HB1 PHE 39 23.629 0.696 -4.014 301 HD1 PHE 39 HD1 PHE 39 21.364 1.406 -3.519 302 HD2 PHE 39 HD2 PHE 39 22.845 -2.338 -2.247 303 HE1 PHE 39 HE1 PHE 39 19.541 1.259 -1.853 304 HE2 PHE 39 HE2 PHE 39 21.033 -2.513 -0.586 305 HZ PHE 39 HZ PHE 39 19.376 -0.704 -0.399 306 H TRP 40 HN TRP 40 23.146 1.583 -6.256 307 HA TRP 40 HA TRP 40 20.433 2.308 -6.263 308 1HB TRP 40 HB2 TRP 40 22.651 3.556 -7.907 309 2HB TRP 40 HB1 TRP 40 21.080 4.272 -7.584 310 HD1 TRP 40 HD1 TRP 40 24.320 5.018 -6.644 311 HE1 TRP 40 HE1 TRP 40 24.596 5.777 -4.207 312 HE3 TRP 40 HE3 TRP 40 19.844 3.389 -4.755 313 HZ2 TRP 40 HZ2 TRP 40 23.126 5.718 -1.849 314 HZ3 TRP 40 HZ3 TRP 40 19.377 3.798 -2.393 315 HH2 TRP 40 HH2 TRP 40 20.956 4.932 -0.979 316 H ALA 41 HN ALA 41 22.493 1.028 -8.703 317 HA ALA 41 HA ALA 41 20.527 1.277 -10.780 318 1HB ALA 41 HB3 ALA 41 22.041 -0.090 -12.126 319 2HB ALA 41 HB2 ALA 41 22.930 1.181 -11.281 320 3HB ALA 41 HB1 ALA 41 22.980 -0.475 -10.682 321 H ALA 42 HN ALA 42 21.287 -1.107 -8.400 322 HA ALA 42 HA ALA 42 19.750 -3.210 -9.519 323 1HB ALA 42 HB1 ALA 42 21.550 -3.580 -7.923 324 2HB ALA 42 HB2 ALA 42 20.025 -4.267 -7.342 325 3HB ALA 42 HB3 ALA 42 20.625 -2.741 -6.684 326 H TYR 43 HN TYR 43 19.038 -0.592 -7.225 327 HA TYR 43 HA TYR 43 16.252 -1.558 -7.079 328 1HB TYR 43 HB2 TYR 43 17.838 0.164 -5.171 329 2HB TYR 43 HB1 TYR 43 16.129 -0.222 -5.002 330 HD1 TYR 43 HD1 TYR 43 19.523 -1.418 -4.615 331 HD2 TYR 43 HD2 TYR 43 15.436 -2.499 -4.541 332 HE1 TYR 43 HE1 TYR 43 20.119 -3.491 -3.455 333 HE2 TYR 43 HE2 TYR 43 16.008 -4.606 -3.359 334 HH TYR 43 HH TYR 43 19.173 -5.130 -2.080 335 H ALA 44 HN ALA 44 17.767 0.355 -9.040 336 HA ALA 44 HA ALA 44 16.818 2.883 -8.847 337 1HB ALA 44 HB2 ALA 44 18.382 2.112 -10.563 338 2HB ALA 44 HB1 ALA 44 17.059 1.292 -11.389 339 3HB ALA 44 HB3 ALA 44 17.060 3.052 -11.260 340 H GLY 45 HN GLY 45 15.044 0.066 -9.826 341 1HA GLY 45 HA1 GLY 45 12.865 -0.244 -10.496 342 2HA GLY 45 HA2 GLY 45 12.802 1.462 -10.904 343 H TRP 46 HN TRP 46 13.724 0.703 -7.636 344 HA TRP 46 HA TRP 46 11.058 0.918 -6.573 345 1HB TRP 46 HB2 TRP 46 13.772 1.005 -5.235 346 2HB TRP 46 HB1 TRP 46 12.225 0.841 -4.418 347 HD1 TRP 46 HD1 TRP 46 14.252 -1.132 -7.064 348 HE1 TRP 46 HE1 TRP 46 14.045 -3.617 -6.533 349 HE3 TRP 46 HE3 TRP 46 11.207 -0.790 -3.007 350 HZ2 TRP 46 HZ2 TRP 46 12.751 -5.229 -4.623 351 HZ3 TRP 46 HZ3 TRP 46 10.524 -2.854 -1.879 352 HH2 TRP 46 HH2 TRP 46 11.281 -5.029 -2.681 353 H THR 47 HN THR 47 10.482 2.765 -5.152 354 HA THR 47 HA THR 47 11.560 5.263 -6.049 355 HB THR 47 HB THR 47 9.343 4.509 -4.139 356 HG1 THR 47 HG1 THR 47 9.209 4.072 -6.530 357 1HG2 THR 47 2HG2 THR 47 10.216 6.715 -3.647 358 2HG2 THR 47 1HG2 THR 47 10.013 7.198 -5.340 359 3HG2 THR 47 3HG2 THR 47 8.597 6.827 -4.341 360 H LEU 48 HN LEU 48 13.254 6.113 -4.981 361 HA LEU 48 HA LEU 48 14.120 5.103 -2.446 362 1HB LEU 48 HB2 LEU 48 15.658 5.833 -4.316 363 2HB LEU 48 HB1 LEU 48 15.126 7.471 -4.057 364 HG LEU 48 HG LEU 48 17.419 6.858 -3.170 365 1HD1 LEU 48 3HD1 LEU 48 16.318 8.872 -2.375 366 2HD1 LEU 48 2HD1 LEU 48 15.513 7.934 -1.109 367 3HD1 LEU 48 1HD1 LEU 48 17.277 8.077 -1.126 368 1HD2 LEU 48 1HD2 LEU 48 15.823 5.399 -1.087 369 2HD2 LEU 48 3HD2 LEU 48 16.927 4.680 -2.262 370 3HD2 LEU 48 2HD2 LEU 48 17.543 5.758 -1.011 371 H VAL 49 HN VAL 49 13.173 5.713 -0.672 372 HA VAL 49 HA VAL 49 11.705 8.218 -0.674 373 HB VAL 49 HB VAL 49 11.618 5.889 1.281 374 1HG1 VAL 49 3HG1 VAL 49 9.946 8.403 1.229 375 2HG1 VAL 49 2HG1 VAL 49 9.691 7.008 2.285 376 3HG1 VAL 49 1HG1 VAL 49 11.155 7.982 2.442 377 1HG2 VAL 49 1HG2 VAL 49 10.688 5.437 -0.880 378 2HG2 VAL 49 3HG2 VAL 49 9.417 5.537 0.339 379 3HG2 VAL 49 2HG2 VAL 49 9.682 6.883 -0.771 380 H GLU 50 HN GLU 50 14.248 6.556 1.139 381 HA GLU 50 HA GLU 50 15.561 9.038 1.487 382 1HB GLU 50 HB2 GLU 50 15.653 9.011 3.973 383 2HB GLU 50 HB1 GLU 50 14.043 9.323 3.337 384 1HG GLU 50 HG2 GLU 50 13.501 6.997 3.701 385 2HG GLU 50 HG1 GLU 50 15.071 6.757 4.470 386 H GLN 51 HN GLN 51 17.638 8.790 2.267 387 HA GLN 51 HA GLN 51 18.521 6.133 2.925 388 1HB GLN 51 HB2 GLN 51 20.450 6.333 1.410 389 2HB GLN 51 HB1 GLN 51 18.895 6.286 0.580 390 1HG GLN 51 HG2 GLN 51 18.999 8.652 0.157 391 2HG GLN 51 HG1 GLN 51 20.481 8.769 1.114 392 1HE2 GLN 51 1HE2 GLN 51 19.082 7.477 -1.770 393 2HE2 GLN 51 2HE2 GLN 51 20.569 7.198 -2.612 394 H LYS 52 HN LYS 52 20.040 6.104 4.390 395 HA LYS 52 HA LYS 52 21.469 8.529 5.043 396 1HB LYS 52 HB2 LYS 52 21.098 7.893 7.485 397 2HB LYS 52 HB1 LYS 52 19.706 8.589 6.655 398 1HG LYS 52 HG2 LYS 52 19.005 6.218 6.242 399 2HG LYS 52 HG1 LYS 52 20.159 5.698 7.455 400 1HD LYS 52 HD2 LYS 52 18.187 5.931 8.668 401 2HD LYS 52 HD1 LYS 52 18.965 7.497 8.938 402 1HE LYS 52 HE2 LYS 52 17.696 8.462 7.122 403 2HE LYS 52 HE1 LYS 52 16.975 6.891 6.790 404 1HZ LYS 52 HZ3 LYS 52 16.030 7.042 9.136 405 2HZ LYS 52 HZ2 LYS 52 16.502 8.661 9.115 406 3HZ LYS 52 HZ1 LYS 52 15.401 8.090 7.969 407 H LYS 53 HN LYS 53 23.315 7.858 6.588 408 HA LYS 53 HA LYS 53 24.807 5.896 5.153 409 1HB LYS 53 HB2 LYS 53 25.792 7.926 6.158 410 2HB LYS 53 HB1 LYS 53 25.483 7.262 7.753 411 1HG LYS 53 HG2 LYS 53 27.818 6.979 7.037 412 2HG LYS 53 HG1 LYS 53 27.009 5.437 7.330 413 1HD LYS 53 HD2 LYS 53 26.679 5.095 4.976 414 2HD LYS 53 HD1 LYS 53 27.302 6.706 4.612 415 1HE LYS 53 HE2 LYS 53 28.881 4.947 4.161 416 2HE LYS 53 HE1 LYS 53 29.475 6.065 5.397 417 1HZ LYS 53 HZ3 LYS 53 28.803 4.400 7.083 418 2HZ LYS 53 HZ2 LYS 53 28.357 3.333 5.866 419 3HZ LYS 53 HZ1 LYS 53 29.959 3.806 6.028 420 H GLY 54 HN GLY 54 24.023 3.896 5.284 421 1HA GLY 54 HA1 GLY 54 23.996 2.680 7.953 422 2HA GLY 54 HA2 GLY 54 24.621 1.876 6.518 423 H TYR 55 HN TYR 55 21.713 3.801 6.041 424 HA TYR 55 HA TYR 55 20.246 1.339 5.777 425 1HB TYR 55 HB2 TYR 55 19.778 1.878 7.995 426 2HB TYR 55 HB1 TYR 55 19.778 3.595 7.679 427 HD1 TYR 55 HD1 TYR 55 17.776 0.583 7.860 428 HD2 TYR 55 HD2 TYR 55 17.953 4.571 6.607 429 HE1 TYR 55 HE1 TYR 55 15.309 0.633 7.843 430 HE2 TYR 55 HE2 TYR 55 15.499 4.730 6.550 431 HH TYR 55 HH TYR 55 13.529 3.180 6.433 432 H VAL 56 HN VAL 56 18.888 1.419 4.083 433 HA VAL 56 HA VAL 56 18.310 4.014 2.865 434 HB VAL 56 HB VAL 56 19.137 1.481 1.381 435 1HG1 VAL 56 3HG1 VAL 56 18.112 4.085 0.269 436 2HG1 VAL 56 2HG1 VAL 56 18.746 2.745 -0.680 437 3HG1 VAL 56 1HG1 VAL 56 17.251 2.547 0.241 438 1HG2 VAL 56 1HG2 VAL 56 21.002 2.908 2.196 439 2HG2 VAL 56 3HG2 VAL 56 20.885 2.835 0.435 440 3HG2 VAL 56 2HG2 VAL 56 20.302 4.259 1.275 441 H LEU 57 HN LEU 57 16.225 4.280 2.224 442 HA LEU 57 HA LEU 57 14.446 2.035 2.663 443 1HB LEU 57 HB2 LEU 57 14.027 3.554 4.399 444 2HB LEU 57 HB1 LEU 57 14.303 4.927 3.375 445 HG LEU 57 HG LEU 57 12.180 4.736 2.390 446 1HD1 LEU 57 3HD1 LEU 57 11.966 2.401 2.189 447 2HD1 LEU 57 2HD1 LEU 57 11.689 2.236 3.944 448 3HD1 LEU 57 1HD1 LEU 57 10.559 3.159 2.915 449 1HD2 LEU 57 1HD2 LEU 57 12.232 5.903 4.506 450 2HD2 LEU 57 3HD2 LEU 57 10.699 5.066 4.291 451 3HD2 LEU 57 2HD2 LEU 57 11.929 4.392 5.361 452 H PHE 58 HN PHE 58 13.731 1.254 0.886 453 HA PHE 58 HA PHE 58 13.053 2.961 -1.430 454 1HB PHE 58 HB2 PHE 58 14.505 0.373 -1.253 455 2HB PHE 58 HB1 PHE 58 13.351 0.542 -2.556 456 HD1 PHE 58 HD1 PHE 58 16.690 1.050 -1.566 457 HD2 PHE 58 HD2 PHE 58 13.625 2.649 -4.009 458 HE1 PHE 58 HE1 PHE 58 18.379 2.175 -2.987 459 HE2 PHE 58 HE2 PHE 58 15.297 3.781 -5.398 460 HZ PHE 58 HZ PHE 58 17.680 3.534 -4.887 461 H ARG 59 HN ARG 59 11.106 2.609 -2.359 462 HA ARG 59 HA ARG 59 9.544 0.344 -1.347 463 1HB ARG 59 HB2 ARG 59 7.498 1.672 -1.482 464 2HB ARG 59 HB1 ARG 59 8.652 2.358 -0.335 465 1HG ARG 59 HG2 ARG 59 9.259 4.038 -2.001 466 2HG ARG 59 HG1 ARG 59 8.074 3.314 -3.106 467 1HD ARG 59 HD2 ARG 59 7.305 5.320 -1.876 468 2HD ARG 59 HD1 ARG 59 6.262 3.907 -1.700 469 HE ARG 59 HE ARG 59 7.913 3.705 0.457 470 1HH1 ARG 59 1HH1 ARG 59 5.914 6.410 -0.636 471 2HH1 ARG 59 2HH1 ARG 59 5.704 7.012 0.929 472 1HH2 ARG 59 1HH2 ARG 59 7.604 4.442 2.457 473 2HH2 ARG 59 2HH2 ARG 59 6.700 5.862 2.806 474 H LYS 60 HN LYS 60 8.419 -0.761 -2.782 475 HA LYS 60 HA LYS 60 8.486 0.156 -5.561 476 1HB LYS 60 HB2 LYS 60 9.989 -1.702 -5.323 477 2HB LYS 60 HB1 LYS 60 8.811 -2.630 -4.398 478 1HG LYS 60 HG2 LYS 60 8.748 -3.638 -6.481 479 2HG LYS 60 HG1 LYS 60 7.435 -2.476 -6.614 480 1HD LYS 60 HD2 LYS 60 8.761 -2.419 -8.634 481 2HD LYS 60 HD1 LYS 60 8.998 -0.919 -7.742 482 1HE LYS 60 HE2 LYS 60 11.138 -1.529 -7.012 483 2HE LYS 60 HE1 LYS 60 10.931 -3.212 -7.371 484 1HZ LYS 60 HZ3 LYS 60 11.013 -1.094 -9.448 485 2HZ LYS 60 HZ2 LYS 60 12.303 -2.116 -9.020 486 3HZ LYS 60 HZ1 LYS 60 10.917 -2.743 -9.697 487 H GLN 61 HN GLN 61 6.651 0.067 -6.578 488 HA GLN 61 HA GLN 61 4.376 -0.567 -4.873 489 1HB GLN 61 HB2 GLN 61 4.132 1.298 -7.180 490 2HB GLN 61 HB1 GLN 61 3.367 1.374 -5.592 491 1HG GLN 61 HG2 GLN 61 5.818 1.750 -4.775 492 2HG GLN 61 HG1 GLN 61 6.099 2.287 -6.406 493 1HE2 GLN 61 1HE2 GLN 61 4.934 2.882 -3.436 494 2HE2 GLN 61 2HE2 GLN 61 4.311 4.502 -3.605 495 H MET 62 HN MET 62 2.852 -1.862 -5.653 496 HA MET 62 HA MET 62 3.442 -3.106 -8.236 497 1HB MET 62 HB2 MET 62 2.144 -4.255 -5.769 498 2HB MET 62 HB1 MET 62 2.014 -5.032 -7.334 499 1HG MET 62 HG2 MET 62 3.743 -6.106 -6.095 500 2HG MET 62 HG1 MET 62 4.498 -5.201 -7.398 501 1HE MET 62 HE2 MET 62 6.171 -6.405 -5.133 502 2HE MET 62 HE1 MET 62 6.891 -5.349 -6.339 503 3HE MET 62 HE3 MET 62 7.226 -5.095 -4.625 504 H ASP 63 HN ASP 63 1.727 -3.750 -9.579 505 HA ASP 63 HA ASP 63 -0.518 -1.888 -9.541 506 1HB ASP 63 HB2 ASP 63 -0.905 -2.571 -11.832 507 2HB ASP 63 HB1 ASP 63 0.824 -2.310 -11.641 508 H ASP 64 HN ASP 64 0.142 -4.664 -8.197 509 HA ASP 64 HA ASP 64 -2.546 -5.842 -8.435 510 1HB ASP 64 HB2 ASP 64 -0.781 -7.358 -9.222 511 2HB ASP 64 HB1 ASP 64 0.117 -7.127 -7.732 512 H ILE 65 HN ILE 65 -3.203 -6.912 -6.308 513 HA ILE 65 HA ILE 65 -2.680 -4.926 -4.263 514 HB ILE 65 HB ILE 65 -4.505 -5.949 -2.946 515 1HG1 ILE 65 2HG1 ILE 65 -4.797 -7.739 -5.355 516 2HG1 ILE 65 1HG1 ILE 65 -4.306 -8.252 -3.753 517 1HG2 ILE 65 3HG2 ILE 65 -5.171 -5.164 -5.770 518 2HG2 ILE 65 2HG2 ILE 65 -6.352 -5.261 -4.463 519 3HG2 ILE 65 1HG2 ILE 65 -5.022 -4.101 -4.375 520 1HD1 ILE 65 2HD1 ILE 65 -6.512 -7.630 -2.873 521 2HD1 ILE 65 1HD1 ILE 65 -7.012 -7.147 -4.493 522 3HD1 ILE 65 3HD1 ILE 65 -6.632 -8.835 -4.153 523 H SER 66 HN SER 66 -2.694 -5.853 -1.956 524 HA SER 66 HA SER 66 -0.185 -6.981 -1.600 525 1HB SER 66 HB2 SER 66 -2.313 -6.925 0.466 526 2HB SER 66 HB1 SER 66 -0.606 -6.507 0.604 527 HG SER 66 HG SER 66 -1.294 -4.531 0.365 528 HA PRO 67 HA PRO 67 -1.101 -11.363 -1.566 529 1HB PRO 67 HB2 PRO 67 0.567 -12.067 0.584 530 2HB PRO 67 HB1 PRO 67 1.048 -12.023 -1.111 531 1HG PRO 67 HG2 PRO 67 1.547 -10.071 1.050 532 2HG PRO 67 HG1 PRO 67 2.508 -10.419 -0.394 533 1HD PRO 67 HD2 PRO 67 0.954 -8.196 -0.078 534 2HD PRO 67 HD1 PRO 67 1.338 -8.882 -1.660 535 H LEU 68 HN LEU 68 -0.964 -9.610 1.474 536 HA LEU 68 HA LEU 68 -2.662 -11.416 2.874 537 1HB LEU 68 HB2 LEU 68 -0.961 -9.580 3.738 538 2HB LEU 68 HB1 LEU 68 -2.361 -8.535 3.658 539 HG LEU 68 HG LEU 68 -1.959 -9.378 5.941 540 1HD1 LEU 68 3HD1 LEU 68 -4.294 -8.905 5.255 541 2HD1 LEU 68 2HD1 LEU 68 -4.455 -10.614 4.821 542 3HD1 LEU 68 1HD1 LEU 68 -4.162 -10.165 6.490 543 1HD2 LEU 68 3HD2 LEU 68 -0.916 -11.495 5.301 544 2HD2 LEU 68 2HD2 LEU 68 -2.219 -11.732 6.473 545 3HD2 LEU 68 1HD2 LEU 68 -2.487 -12.092 4.767 546 H SER 69 HN SER 69 -3.141 -8.558 0.910 547 HA SER 69 HA SER 69 -5.829 -8.094 1.574 548 1HB SER 69 HB2 SER 69 -4.498 -6.405 0.396 549 2HB SER 69 HB1 SER 69 -4.339 -7.471 -0.995 550 HG SER 69 HG SER 69 -6.392 -5.839 -0.208 551 H LYS 70 HN LYS 70 -4.301 -10.305 -0.676 552 HA LYS 70 HA LYS 70 -6.662 -11.114 -2.001 553 1HB LYS 70 HB2 LYS 70 -4.131 -12.685 -1.566 554 2HB LYS 70 HB1 LYS 70 -5.332 -12.949 -2.829 555 1HG LYS 70 HG2 LYS 70 -4.838 -10.786 -3.782 556 2HG LYS 70 HG1 LYS 70 -3.693 -10.465 -2.490 557 1HD LYS 70 HD2 LYS 70 -2.402 -12.430 -3.227 558 2HD LYS 70 HD1 LYS 70 -3.499 -12.577 -4.612 559 1HE LYS 70 HE2 LYS 70 -2.960 -10.220 -5.166 560 2HE LYS 70 HE1 LYS 70 -1.762 -10.257 -3.889 561 1HZ LYS 70 HZ3 LYS 70 -1.730 -12.129 -6.169 562 2HZ LYS 70 HZ2 LYS 70 -0.885 -10.675 -6.141 563 3HZ LYS 70 HZ1 LYS 70 -0.511 -11.917 -5.012 564 H VAL 71 HN VAL 71 -5.208 -12.045 1.029 565 HA VAL 71 HA VAL 71 -6.826 -14.457 1.252 566 HB VAL 71 HB VAL 71 -5.741 -14.937 3.292 567 1HG1 VAL 71 1HG1 VAL 71 -4.202 -15.086 1.471 568 2HG1 VAL 71 3HG1 VAL 71 -3.760 -13.394 1.706 569 3HG1 VAL 71 2HG1 VAL 71 -3.368 -14.580 2.951 570 1HG2 VAL 71 3HG2 VAL 71 -4.997 -12.040 3.549 571 2HG2 VAL 71 2HG2 VAL 71 -6.164 -12.914 4.530 572 3HG2 VAL 71 1HG2 VAL 71 -4.446 -13.310 4.652 573 H ASN 72 HN ASN 72 -6.854 -11.244 2.105 574 HA ASN 72 HA ASN 72 -9.007 -11.361 4.015 575 1HB ASN 72 HB2 ASN 72 -7.159 -9.802 4.267 576 2HB ASN 72 HB1 ASN 72 -7.550 -9.044 2.740 577 1HD2 ASN 72 1HD2 ASN 72 -7.956 -7.023 3.542 578 2HD2 ASN 72 2HD2 ASN 72 -9.239 -6.680 4.632 579 H GLY 73 HN GLY 73 -8.657 -9.341 1.071 580 1HA GLY 73 HA1 GLY 73 -11.021 -10.227 -0.177 581 2HA GLY 73 HA2 GLY 73 -10.084 -8.808 -0.602 582 H TYR 74 HN TYR 74 -10.391 -7.605 2.098 583 HA TYR 74 HA TYR 74 -13.243 -7.137 2.156 584 1HB TYR 74 HB2 TYR 74 -11.389 -7.819 4.361 585 2HB TYR 74 HB1 TYR 74 -12.616 -6.603 4.688 586 HD1 TYR 74 HD1 TYR 74 -14.794 -7.213 5.140 587 HD2 TYR 74 HD2 TYR 74 -12.145 -10.119 3.548 588 HE1 TYR 74 HE1 TYR 74 -16.464 -8.941 5.565 589 HE2 TYR 74 HE2 TYR 74 -13.821 -11.873 3.963 590 HH TYR 74 HH TYR 74 -17.029 -11.118 4.649 591 H ILE 75 HN ILE 75 -13.466 -5.340 1.353 592 HA ILE 75 HA ILE 75 -11.791 -3.084 2.051 593 HB ILE 75 HB ILE 75 -13.967 -3.676 0.142 594 1HG1 ILE 75 2HG1 ILE 75 -11.208 -2.610 -0.347 595 2HG1 ILE 75 1HG1 ILE 75 -11.674 -4.306 -0.374 596 1HG2 ILE 75 2HG2 ILE 75 -14.433 -1.348 0.957 597 2HG2 ILE 75 1HG2 ILE 75 -12.760 -0.891 0.640 598 3HG2 ILE 75 3HG2 ILE 75 -13.844 -1.265 -0.700 599 1HD1 ILE 75 2HD1 ILE 75 -12.695 -2.130 -2.212 600 2HD1 ILE 75 1HD1 ILE 75 -11.487 -3.339 -2.632 601 3HD1 ILE 75 3HD1 ILE 75 -13.143 -3.829 -2.292 602 H GLY 76 HN GLY 76 -12.564 -1.525 3.400 603 1HA GLY 76 HA1 GLY 76 -13.595 -1.826 5.633 604 2HA GLY 76 HA2 GLY 76 -15.073 -2.180 4.747 605 H VAL 77 HN VAL 77 -16.375 -0.614 4.382 606 HA VAL 77 HA VAL 77 -15.252 2.046 4.522 607 HB VAL 77 HB VAL 77 -17.681 1.079 3.066 608 1HG1 VAL 77 1HG1 VAL 77 -16.621 3.897 3.273 609 2HG1 VAL 77 3HG1 VAL 77 -17.911 3.374 2.192 610 3HG1 VAL 77 2HG1 VAL 77 -18.144 3.311 3.942 611 1HG2 VAL 77 3HG2 VAL 77 -15.057 2.170 2.137 612 2HG2 VAL 77 2HG2 VAL 77 -15.641 0.528 1.932 613 3HG2 VAL 77 1HG2 VAL 77 -16.413 1.855 1.058 614 H SER 78 HN SER 78 -15.944 3.407 5.889 615 HA SER 78 HA SER 78 -17.746 2.395 7.948 616 1HB SER 78 HB2 SER 78 -15.985 4.848 8.017 617 2HB SER 78 HB1 SER 78 -16.750 4.031 9.376 618 HG SER 78 HG SER 78 -15.361 2.203 8.172 619 H ASP 79 HN ASP 79 -19.080 4.281 8.936 620 HA ASP 79 HA ASP 79 -21.106 4.848 7.158 621 1HB ASP 79 HB2 ASP 79 -21.363 4.747 9.588 622 2HB ASP 79 HB1 ASP 79 -20.479 6.256 9.746 623 H ASN 80 HN ASN 80 -18.305 6.840 7.847 624 HA ASN 80 HA ASN 80 -19.389 9.195 6.529 625 1HB ASN 80 HB2 ASN 80 -16.675 8.582 7.692 626 2HB ASN 80 HB1 ASN 80 -16.970 10.054 6.765 627 1HD2 ASN 80 1HD2 ASN 80 -18.972 8.399 9.026 628 2HD2 ASN 80 2HD2 ASN 80 -19.020 9.663 10.220 629 H GLY 81 HN GLY 81 -18.693 6.426 5.182 630 1HA GLY 81 HA1 GLY 81 -17.980 7.561 2.682 631 2HA GLY 81 HA2 GLY 81 -18.204 5.849 3.052 632 H VAL 82 HN VAL 82 -16.460 5.788 5.174 633 HA VAL 82 HA VAL 82 -13.872 6.715 4.352 634 HB VAL 82 HB VAL 82 -14.515 4.713 6.537 635 1HG1 VAL 82 1HG1 VAL 82 -12.171 6.563 6.158 636 2HG1 VAL 82 3HG1 VAL 82 -12.436 5.521 7.555 637 3HG1 VAL 82 2HG1 VAL 82 -12.168 4.810 5.961 638 1HG2 VAL 82 3HG2 VAL 82 -15.854 6.768 6.880 639 2HG2 VAL 82 2HG2 VAL 82 -14.599 6.616 8.095 640 3HG2 VAL 82 1HG2 VAL 82 -14.386 7.726 6.750 641 H ILE 83 HN ILE 83 -12.894 5.817 2.809 642 HA ILE 83 HA ILE 83 -13.616 3.255 1.682 643 HB ILE 83 HB ILE 83 -11.720 5.311 0.480 644 1HG1 ILE 83 2HG1 ILE 83 -13.853 6.339 0.839 645 2HG1 ILE 83 1HG1 ILE 83 -13.733 5.937 -0.872 646 1HG2 ILE 83 3HG2 ILE 83 -13.231 2.997 -0.782 647 2HG2 ILE 83 2HG2 ILE 83 -12.268 4.185 -1.676 648 3HG2 ILE 83 1HG2 ILE 83 -11.494 3.086 -0.527 649 1HD1 ILE 83 2HD1 ILE 83 -15.101 3.941 -0.485 650 2HD1 ILE 83 1HD1 ILE 83 -15.198 4.369 1.222 651 3HD1 ILE 83 3HD1 ILE 83 -15.949 5.415 0.013 652 H SER 84 HN SER 84 -12.392 2.622 3.897 653 HA SER 84 HA SER 84 -9.519 2.337 3.220 654 1HB SER 84 HB2 SER 84 -10.870 1.925 5.870 655 2HB SER 84 HB1 SER 84 -9.138 2.101 5.555 656 HG SER 84 HG SER 84 -10.958 4.004 4.731 657 H THR 85 HN THR 85 -8.555 0.197 3.872 658 HA THR 85 HA THR 85 -10.561 -1.874 3.538 659 HB THR 85 HB THR 85 -8.681 -3.398 2.900 660 HG1 THR 85 HG1 THR 85 -6.626 -2.495 2.540 661 1HG2 THR 85 2HG2 THR 85 -8.781 -0.823 1.316 662 2HG2 THR 85 1HG2 THR 85 -8.162 -2.369 0.725 663 3HG2 THR 85 3HG2 THR 85 -9.866 -2.192 1.143 664 H PHE 86 HN PHE 86 -10.548 -3.660 4.980 665 HA PHE 86 HA PHE 86 -9.131 -3.077 7.443 666 1HB PHE 86 HB2 PHE 86 -12.062 -3.756 7.165 667 2HB PHE 86 HB1 PHE 86 -11.202 -4.051 8.656 668 HD1 PHE 86 HD1 PHE 86 -11.686 -2.562 10.268 669 HD2 PHE 86 HD2 PHE 86 -11.492 -1.232 6.272 670 HE1 PHE 86 HE1 PHE 86 -12.307 -0.303 11.031 671 HE2 PHE 86 HE2 PHE 86 -12.140 1.070 7.009 672 HZ PHE 86 HZ PHE 86 -12.530 1.517 9.392 673 H HIS 87 HN HIS 87 -9.137 -5.118 8.858 674 HA HIS 87 HA HIS 87 -8.854 -7.440 7.139 675 1HB HIS 87 HB2 HIS 87 -8.201 -7.043 10.073 676 2HB HIS 87 HB1 HIS 87 -7.933 -8.542 9.193 677 HD1 HIS 87 HD1 HIS 87 -6.025 -8.431 7.309 678 HD2 HIS 87 HD2 HIS 87 -6.244 -5.170 9.865 679 HE1 HIS 87 HE1 HIS 87 -3.843 -7.187 7.046 680 H GLY 88 HN GLY 88 -10.783 -8.264 6.692 681 1HA GLY 88 HA1 GLY 88 -12.297 -9.482 8.817 682 2HA GLY 88 HA2 GLY 88 -12.662 -9.559 7.095 683 H ARG 89 HN ARG 89 -14.548 -9.197 9.122 684 HA ARG 89 HA ARG 89 -16.298 -7.317 8.288 685 1HB ARG 89 HB2 ARG 89 -15.891 -8.394 11.066 686 2HB ARG 89 HB1 ARG 89 -17.199 -7.286 10.658 687 1HG ARG 89 HG2 ARG 89 -16.785 -9.882 9.271 688 2HG ARG 89 HG1 ARG 89 -17.807 -9.680 10.697 689 1HD ARG 89 HD2 ARG 89 -18.132 -8.293 8.029 690 2HD ARG 89 HD1 ARG 89 -19.165 -9.525 8.754 691 HE ARG 89 HE ARG 89 -18.904 -7.208 10.415 692 1HH1 ARG 89 1HH1 ARG 89 -20.754 -8.597 7.759 693 2HH1 ARG 89 2HH1 ARG 89 -22.106 -7.581 7.983 694 1HH2 ARG 89 1HH2 ARG 89 -20.697 -5.824 10.721 695 2HH2 ARG 89 2HH2 ARG 89 -22.053 -5.933 9.707 696 HA PRO 90 HA PRO 90 -14.222 -3.544 9.433 697 1HB PRO 90 HB2 PRO 90 -15.453 -1.970 7.656 698 2HB PRO 90 HB1 PRO 90 -14.193 -3.115 7.193 699 1HG PRO 90 HG2 PRO 90 -17.131 -3.291 6.824 700 2HG PRO 90 HG1 PRO 90 -15.832 -3.928 5.806 701 1HD PRO 90 HD2 PRO 90 -17.352 -5.374 7.683 702 2HD PRO 90 HD1 PRO 90 -15.860 -5.905 6.881 703 H GLU 91 HN GLU 91 -14.824 -2.792 11.278 704 HA GLU 91 HA GLU 91 -17.269 -1.255 11.506 705 1HB GLU 91 HB2 GLU 91 -17.664 -2.244 13.789 706 2HB GLU 91 HB1 GLU 91 -17.787 -3.440 12.516 707 1HG GLU 91 HG2 GLU 91 -15.543 -4.196 12.996 708 2HG GLU 91 HG1 GLU 91 -15.420 -2.981 14.278 709 HA PRO 92 HA PRO 92 -14.394 1.636 13.241 710 1HB PRO 92 HB2 PRO 92 -15.642 2.659 15.453 711 2HB PRO 92 HB1 PRO 92 -16.089 3.100 13.803 712 1HG PRO 92 HG2 PRO 92 -17.374 1.149 15.660 713 2HG PRO 92 HG1 PRO 92 -18.131 2.298 14.546 714 1HD PRO 92 HD2 PRO 92 -17.843 -0.355 14.012 715 2HD PRO 92 HD1 PRO 92 -17.863 0.883 12.725 716 H ALA 93 HN ALA 93 -15.498 -0.883 15.239 717 HA ALA 93 HA ALA 93 -13.386 -0.491 17.188 718 1HB ALA 93 HB1 ALA 93 -15.627 -1.118 17.969 719 2HB ALA 93 HB2 ALA 93 -14.416 -2.320 18.399 720 3HB ALA 93 HB3 ALA 93 -15.518 -2.620 17.051 721 H SER 94 HN SER 94 -13.454 -1.633 14.187 722 HA SER 94 HA SER 94 -11.646 -3.906 14.727 723 1HB SER 94 HB2 SER 94 -13.572 -4.357 13.190 724 2HB SER 94 HB1 SER 94 -12.994 -3.090 12.113 725 HG SER 94 HG SER 94 -12.431 -5.421 11.705 726 H GLU 95 HN GLU 95 -9.809 -3.910 12.887 727 HA GLU 95 HA GLU 95 -8.669 -1.252 13.192 728 1HB GLU 95 HB2 GLU 95 -7.260 -3.864 12.706 729 2HB GLU 95 HB1 GLU 95 -6.460 -2.302 12.797 730 1HG GLU 95 HG2 GLU 95 -7.424 -2.069 15.099 731 2HG GLU 95 HG1 GLU 95 -7.929 -3.750 14.973 732 HA PRO 96 HA PRO 96 -8.942 -0.777 8.790 733 1HB PRO 96 HB2 PRO 96 -8.108 1.808 8.759 734 2HB PRO 96 HB1 PRO 96 -9.761 1.353 9.185 735 1HG PRO 96 HG2 PRO 96 -7.501 2.147 10.952 736 2HG PRO 96 HG1 PRO 96 -9.233 2.480 11.118 737 1HD PRO 96 HD2 PRO 96 -7.860 0.534 12.498 738 2HD PRO 96 HD1 PRO 96 -9.613 0.532 12.226 739 H ILE 97 HN ILE 97 -7.405 -1.024 7.283 740 HA ILE 97 HA ILE 97 -4.724 -1.527 8.137 741 HB ILE 97 HB ILE 97 -5.969 -1.516 5.368 742 1HG1 ILE 97 2HG1 ILE 97 -5.429 -3.860 7.213 743 2HG1 ILE 97 1HG1 ILE 97 -6.981 -3.048 7.075 744 1HG2 ILE 97 1HG2 ILE 97 -3.369 -2.743 6.332 745 2HG2 ILE 97 3HG2 ILE 97 -4.067 -2.923 4.721 746 3HG2 ILE 97 2HG2 ILE 97 -3.524 -1.342 5.268 747 1HD1 ILE 97 3HD1 ILE 97 -5.573 -4.442 4.804 748 2HD1 ILE 97 2HD1 ILE 97 -6.884 -5.115 5.795 749 3HD1 ILE 97 1HD1 ILE 97 -7.177 -3.695 4.798 750 H GLN 98 HN GLN 98 -6.381 0.926 6.232 751 HA GLN 98 HA GLN 98 -4.405 2.830 6.859 752 1HB GLN 98 HB2 GLN 98 -3.717 3.437 4.632 753 2HB GLN 98 HB1 GLN 98 -3.533 1.712 4.755 754 1HG GLN 98 HG2 GLN 98 -5.516 3.295 3.169 755 2HG GLN 98 HG1 GLN 98 -4.365 2.082 2.627 756 1HE2 GLN 98 1HE2 GLN 98 -4.773 0.084 3.758 757 2HE2 GLN 98 2HE2 GLN 98 -6.370 -0.615 3.637 758 H SER 99 HN SER 99 -5.437 4.911 5.197 759 HA SER 99 HA SER 99 -8.208 4.346 5.030 760 1HB SER 99 HB2 SER 99 -7.144 6.761 6.530 761 2HB SER 99 HB1 SER 99 -8.843 6.499 6.129 762 HG SER 99 HG SER 99 -8.133 4.313 7.198 763 H PHE 100 HN PHE 100 -8.983 5.117 3.044 764 HA PHE 100 HA PHE 100 -7.243 6.963 1.614 765 1HB PHE 100 HB2 PHE 100 -9.482 5.236 0.549 766 2HB PHE 100 HB1 PHE 100 -8.561 6.373 -0.420 767 HD1 PHE 100 HD1 PHE 100 -6.029 6.017 -0.537 768 HD2 PHE 100 HD2 PHE 100 -8.771 3.064 0.805 769 HE1 PHE 100 HE1 PHE 100 -4.382 4.268 -1.030 770 HE2 PHE 100 HE2 PHE 100 -7.130 1.312 0.325 771 HZ PHE 100 HZ PHE 100 -4.932 1.907 -0.592 772 H PHE 101 HN PHE 101 -10.679 6.688 0.987 773 HA PHE 101 HA PHE 101 -10.845 9.608 1.212 774 1HB PHE 101 HB2 PHE 101 -12.273 7.638 -0.542 775 2HB PHE 101 HB1 PHE 101 -12.920 9.243 -0.263 776 HD1 PHE 101 HD1 PHE 101 -12.235 10.998 -1.544 777 HD2 PHE 101 HD2 PHE 101 -9.921 7.443 -1.529 778 HE1 PHE 101 HE1 PHE 101 -10.859 11.894 -3.393 779 HE2 PHE 101 HE2 PHE 101 -8.543 8.313 -3.375 780 HZ PHE 101 HZ PHE 101 -9.011 10.544 -4.309 781 H GLN 102 HN GLN 102 -12.946 10.468 1.690 782 HA GLN 102 HA GLN 102 -14.798 8.781 3.161 783 1HB GLN 102 HB2 GLN 102 -13.666 11.460 3.916 784 2HB GLN 102 HB1 GLN 102 -15.315 11.059 4.364 785 1HG GLN 102 HG2 GLN 102 -14.687 9.339 5.674 786 2HG GLN 102 HG1 GLN 102 -13.053 9.218 5.035 787 1HE2 GLN 102 1HE2 GLN 102 -15.223 10.930 7.127 788 2HE2 GLN 102 2HE2 GLN 102 -14.040 11.861 7.941 789 H ILE 103 HN ILE 103 -16.660 8.827 2.259 790 HA ILE 103 HA ILE 103 -17.273 10.964 0.343 791 HB ILE 103 HB ILE 103 -17.924 9.397 -1.412 792 1HG1 ILE 103 2HG1 ILE 103 -17.213 7.165 0.512 793 2HG1 ILE 103 1HG1 ILE 103 -18.859 7.666 0.142 794 1HG2 ILE 103 2HG2 ILE 103 -15.505 9.919 -1.201 795 2HG2 ILE 103 1HG2 ILE 103 -15.294 8.446 -0.289 796 3HG2 ILE 103 3HG2 ILE 103 -15.820 8.358 -1.972 797 1HD1 ILE 103 3HD1 ILE 103 -16.873 6.566 -1.821 798 2HD1 ILE 103 2HD1 ILE 103 -18.239 5.692 -1.104 799 3HD1 ILE 103 1HD1 ILE 103 -18.528 7.068 -2.175 800 H ASP 104 HN ASP 104 -19.594 11.034 -0.226 801 HA ASP 104 HA ASP 104 -21.142 10.616 2.113 802 1HB ASP 104 HB2 ASP 104 -21.650 11.823 -0.557 803 2HB ASP 104 HB1 ASP 104 -23.028 11.409 0.455 804 H LEU 105 HN LEU 105 -21.827 8.712 2.661 805 HA LEU 105 HA LEU 105 -22.227 6.695 0.727 806 1HB LEU 105 HB2 LEU 105 -22.899 6.770 3.642 807 2HB LEU 105 HB1 LEU 105 -23.338 5.426 2.621 808 HG LEU 105 HG LEU 105 -20.643 6.273 3.579 809 1HD1 LEU 105 2HD1 LEU 105 -22.163 3.691 3.435 810 2HD1 LEU 105 1HD1 LEU 105 -20.530 3.861 4.099 811 3HD1 LEU 105 3HD1 LEU 105 -21.897 4.676 4.873 812 1HD2 LEU 105 1HD2 LEU 105 -21.184 4.519 1.168 813 2HD2 LEU 105 3HD2 LEU 105 -20.301 6.046 1.175 814 3HD2 LEU 105 2HD2 LEU 105 -19.643 4.636 1.996 815 H GLU 106 HN GLU 106 -24.215 9.002 2.297 816 HA GLU 106 HA GLU 106 -26.674 7.932 1.485 817 1HB GLU 106 HB2 GLU 106 -27.571 10.237 1.786 818 2HB GLU 106 HB1 GLU 106 -26.654 9.654 3.163 819 1HG GLU 106 HG2 GLU 106 -24.823 11.043 2.668 820 2HG GLU 106 HG1 GLU 106 -25.423 11.420 1.061 821 H ARG 107 HN ARG 107 -24.161 9.494 -0.305 822 HA ARG 107 HA ARG 107 -25.981 10.189 -2.449 823 1HB ARG 107 HB2 ARG 107 -24.378 11.615 -3.253 824 2HB ARG 107 HB1 ARG 107 -23.848 11.480 -1.586 825 1HG ARG 107 HG2 ARG 107 -22.177 9.910 -2.146 826 2HG ARG 107 HG1 ARG 107 -22.758 9.857 -3.817 827 1HD ARG 107 HD2 ARG 107 -21.460 12.228 -2.413 828 2HD ARG 107 HD1 ARG 107 -20.800 11.237 -3.675 829 HE ARG 107 HE ARG 107 -23.227 12.377 -4.500 830 1HH1 ARG 107 1HH1 ARG 107 -19.873 13.254 -3.802 831 2HH1 ARG 107 2HH1 ARG 107 -19.720 14.337 -5.113 832 1HH2 ARG 107 1HH2 ARG 107 -23.058 13.976 -6.260 833 2HH2 ARG 107 2HH2 ARG 107 -21.572 14.784 -6.503 834 H LEU 108 HN LEU 108 -23.935 7.620 -1.522 835 HA LEU 108 HA LEU 108 -23.616 6.257 -3.982 836 1HB LEU 108 HB2 LEU 108 -23.835 5.351 -1.159 837 2HB LEU 108 HB1 LEU 108 -24.204 4.153 -2.370 838 HG LEU 108 HG LEU 108 -21.884 3.890 -1.688 839 1HD1 LEU 108 2HD1 LEU 108 -22.017 5.009 -4.389 840 2HD1 LEU 108 1HD1 LEU 108 -20.737 4.020 -3.666 841 3HD1 LEU 108 3HD1 LEU 108 -22.357 3.354 -3.846 842 1HD2 LEU 108 3HD2 LEU 108 -21.665 6.797 -2.301 843 2HD2 LEU 108 2HD2 LEU 108 -21.473 5.874 -0.784 844 3HD2 LEU 108 1HD2 LEU 108 -20.292 5.662 -2.065 845 H GLU 109 HN GLU 109 -24.882 4.308 -4.712 846 HA GLU 109 HA GLU 109 -27.567 4.977 -5.275 847 1HB GLU 109 HB2 GLU 109 -26.375 2.210 -5.206 848 2HB GLU 109 HB1 GLU 109 -27.811 2.688 -6.100 849 1HG GLU 109 HG2 GLU 109 -26.400 4.052 -7.564 850 2HG GLU 109 HG1 GLU 109 -24.978 3.566 -6.632 851 H SER 110 HN SER 110 -26.696 2.031 -3.528 852 HA SER 110 HA SER 110 -27.793 2.717 -1.060 853 1HB SER 110 HB2 SER 110 -29.965 2.488 -2.258 854 2HB SER 110 HB1 SER 110 -29.510 0.856 -2.745 855 HG SER 110 HG SER 110 -30.889 1.224 -0.792 856 H HIS 111 HN HIS 111 -27.718 -0.225 -3.088 857 HA HIS 111 HA HIS 111 -26.812 -1.783 -0.896 858 1HB HIS 111 HB2 HIS 111 -28.235 -2.672 -2.743 859 2HB HIS 111 HB1 HIS 111 -26.872 -2.511 -3.837 860 HD1 HIS 111 HD1 HIS 111 -25.690 -4.673 -4.204 861 HD2 HIS 111 HD2 HIS 111 -27.478 -4.470 -0.461 862 HE1 HIS 111 HE1 HIS 111 -25.325 -6.926 -3.131 863 H MET 112 HN MET 112 -25.189 -0.230 -3.452 864 HA MET 112 HA MET 112 -22.669 -1.300 -3.397 865 1HB MET 112 HB2 MET 112 -23.722 1.416 -3.891 866 2HB MET 112 HB1 MET 112 -21.987 1.245 -3.696 867 1HG MET 112 HG2 MET 112 -23.635 -0.332 -5.650 868 2HG MET 112 HG1 MET 112 -22.786 1.162 -6.053 869 1HE MET 112 HE1 MET 112 -20.293 1.485 -5.803 870 2HE MET 112 HE3 MET 112 -20.129 0.770 -4.204 871 3HE MET 112 HE2 MET 112 -19.080 0.232 -5.523 872 H GLN 113 HN GLN 113 -23.835 1.319 -1.234 873 HA GLN 113 HA GLN 113 -21.357 1.398 0.074 874 1HB GLN 113 HB2 GLN 113 -22.549 2.749 1.808 875 2HB GLN 113 HB1 GLN 113 -22.587 3.429 0.176 876 1HG GLN 113 HG2 GLN 113 -24.777 3.292 0.080 877 2HG GLN 113 HG1 GLN 113 -24.731 1.679 0.848 878 1HE2 GLN 113 1HE2 GLN 113 -25.145 5.075 1.385 879 2HE2 GLN 113 2HE2 GLN 113 -25.565 4.923 3.049 880 H LYS 114 HN LYS 114 -24.350 -0.307 0.586 881 HA LYS 114 HA LYS 114 -23.925 -1.185 3.213 882 1HB LYS 114 HB2 LYS 114 -25.366 -2.689 1.032 883 2HB LYS 114 HB1 LYS 114 -25.606 -2.845 2.764 884 1HG LYS 114 HG2 LYS 114 -26.193 -0.399 1.135 885 2HG LYS 114 HG1 LYS 114 -27.373 -1.587 1.651 886 1HD LYS 114 HD2 LYS 114 -26.947 -1.030 3.977 887 2HD LYS 114 HD1 LYS 114 -25.662 0.083 3.490 888 1HE LYS 114 HE2 LYS 114 -27.294 1.408 2.245 889 2HE LYS 114 HE1 LYS 114 -28.576 0.326 2.770 890 1HZ LYS 114 HZ1 LYS 114 -28.125 0.976 5.052 891 2HZ LYS 114 HZ3 LYS 114 -26.894 2.027 4.522 892 3HZ LYS 114 HZ2 LYS 114 -28.497 2.295 4.076 893 H ASN 115 HN ASN 115 -22.933 -2.485 0.079 894 HA ASN 115 HA ASN 115 -21.864 -4.917 0.987 895 1HB ASN 115 HB2 ASN 115 -21.070 -3.221 -1.383 896 2HB ASN 115 HB1 ASN 115 -20.323 -4.769 -1.035 897 1HD2 ASN 115 1HD2 ASN 115 -21.741 -4.001 -3.338 898 2HD2 ASN 115 2HD2 ASN 115 -23.117 -5.032 -3.490 899 H LEU 116 HN LEU 116 -20.577 -1.756 0.690 900 HA LEU 116 HA LEU 116 -17.921 -2.372 1.455 901 1HB LEU 116 HB2 LEU 116 -19.326 0.268 1.774 902 2HB LEU 116 HB1 LEU 116 -17.613 -0.086 1.575 903 HG LEU 116 HG LEU 116 -19.625 -0.550 -0.637 904 1HD1 LEU 116 3HD1 LEU 116 -19.506 1.826 0.071 905 2HD1 LEU 116 2HD1 LEU 116 -17.795 1.776 -0.340 906 3HD1 LEU 116 1HD1 LEU 116 -18.994 1.478 -1.583 907 1HD2 LEU 116 2HD2 LEU 116 -17.542 -1.847 -0.763 908 2HD2 LEU 116 1HD2 LEU 116 -17.633 -0.613 -2.021 909 3HD2 LEU 116 3HD2 LEU 116 -16.615 -0.355 -0.604 910 H LEU 117 HN LEU 117 -20.878 -1.667 3.211 911 HA LEU 117 HA LEU 117 -19.738 -1.076 5.739 912 1HB LEU 117 HB2 LEU 117 -22.493 -2.147 5.171 913 2HB LEU 117 HB1 LEU 117 -21.959 -1.385 6.648 914 HG LEU 117 HG LEU 117 -22.366 -0.098 3.969 915 1HD1 LEU 117 2HD1 LEU 117 -24.390 -0.560 5.238 916 2HD1 LEU 117 1HD1 LEU 117 -23.732 0.329 6.608 917 3HD1 LEU 117 3HD1 LEU 117 -24.079 1.173 5.100 918 1HD2 LEU 117 1HD2 LEU 117 -21.307 1.119 6.504 919 2HD2 LEU 117 3HD2 LEU 117 -20.440 0.852 4.975 920 3HD2 LEU 117 2HD2 LEU 117 -21.803 1.978 5.028 921 H LYS 118 HN LYS 118 -21.090 -4.108 4.335 922 HA LYS 118 HA LYS 118 -20.436 -5.387 6.847 923 1HB LYS 118 HB2 LYS 118 -21.608 -7.269 6.212 924 2HB LYS 118 HB1 LYS 118 -22.500 -5.993 5.411 925 1HG LYS 118 HG2 LYS 118 -20.381 -7.494 3.994 926 2HG LYS 118 HG1 LYS 118 -21.986 -8.204 4.204 927 1HD LYS 118 HD2 LYS 118 -22.882 -6.167 3.051 928 2HD LYS 118 HD1 LYS 118 -21.208 -5.657 2.793 929 1HE LYS 118 HE2 LYS 118 -22.109 -6.812 0.793 930 2HE LYS 118 HE1 LYS 118 -20.767 -7.695 1.519 931 1HZ LYS 118 HZ2 LYS 118 -23.629 -8.295 1.979 932 2HZ LYS 118 HZ1 LYS 118 -22.650 -9.094 0.867 933 3HZ LYS 118 HZ3 LYS 118 -22.327 -9.212 2.515 934 H GLY 119 HN GLY 119 -18.974 -4.817 3.866 935 1HA GLY 119 HA1 GLY 119 -16.780 -6.504 4.733 936 2HA GLY 119 HA2 GLY 119 -16.653 -5.092 3.679 937 H ILE 120 HN ILE 120 -15.845 -6.007 1.957 938 HA ILE 120 HA ILE 120 -17.611 -7.616 0.341 939 HB ILE 120 HB ILE 120 -14.719 -6.902 -0.290 940 1HG1 ILE 120 2HG1 ILE 120 -15.838 -4.805 0.293 941 2HG1 ILE 120 1HG1 ILE 120 -15.560 -4.873 -1.443 942 1HG2 ILE 120 1HG2 ILE 120 -15.790 -8.533 -1.768 943 2HG2 ILE 120 3HG2 ILE 120 -17.113 -7.402 -2.056 944 3HG2 ILE 120 2HG2 ILE 120 -15.488 -7.017 -2.615 945 1HD1 ILE 120 2HD1 ILE 120 -17.931 -5.546 -1.730 946 2HD1 ILE 120 1HD1 ILE 120 -18.150 -5.337 0.009 947 3HD1 ILE 120 3HD1 ILE 120 -17.735 -3.949 -0.998 948 HA PRO 121 HA PRO 121 -15.778 -11.287 2.052 949 1HB PRO 121 HB2 PRO 121 -16.993 -13.170 0.592 950 2HB PRO 121 HB1 PRO 121 -17.885 -12.175 1.750 951 1HG PRO 121 HG2 PRO 121 -17.709 -11.902 -1.230 952 2HG PRO 121 HG1 PRO 121 -19.120 -11.742 -0.170 953 1HD PRO 121 HD2 PRO 121 -17.676 -9.616 -1.145 954 2HD PRO 121 HD1 PRO 121 -18.637 -9.561 0.345 955 H PHE 122 HN PHE 122 -14.949 -10.112 -0.915 956 HA PHE 122 HA PHE 122 -12.557 -11.546 -1.246 957 1HB PHE 122 HB2 PHE 122 -14.077 -13.401 -1.848 958 2HB PHE 122 HB1 PHE 122 -14.792 -12.406 -3.109 959 HD1 PHE 122 HD1 PHE 122 -11.596 -13.925 -2.002 960 HD2 PHE 122 HD2 PHE 122 -13.914 -12.490 -5.270 961 HE1 PHE 122 HE1 PHE 122 -9.953 -14.849 -3.572 962 HE2 PHE 122 HE2 PHE 122 -12.268 -13.407 -6.843 963 HZ PHE 122 HZ PHE 122 -10.289 -14.596 -5.992 964 H ARG 123 HN ARG 123 -11.291 -10.435 -2.755 965 HA ARG 123 HA ARG 123 -12.579 -8.729 -4.669 966 1HB ARG 123 HB2 ARG 123 -12.604 -7.349 -2.639 967 2HB ARG 123 HB1 ARG 123 -10.886 -7.619 -2.407 968 1HG ARG 123 HG2 ARG 123 -11.374 -5.400 -3.304 969 2HG ARG 123 HG1 ARG 123 -10.391 -6.359 -4.413 970 1HD ARG 123 HD2 ARG 123 -12.077 -5.228 -5.675 971 2HD ARG 123 HD1 ARG 123 -12.438 -6.945 -5.650 972 HE ARG 123 HE ARG 123 -13.787 -5.032 -3.892 973 1HH1 ARG 123 1HH1 ARG 123 -14.008 -7.835 -6.175 974 2HH1 ARG 123 2HH1 ARG 123 -15.687 -7.778 -6.244 975 1HH2 ARG 123 1HH2 ARG 123 -16.192 -4.994 -4.111 976 2HH2 ARG 123 2HH2 ARG 123 -16.941 -6.152 -5.057 977 H THR 124 HN THR 124 -11.222 -8.369 -6.459 978 HA THR 124 HA THR 124 -8.511 -9.438 -6.199 979 HB THR 124 HB THR 124 -10.194 -9.274 -8.736 980 HG1 THR 124 HG1 THR 124 -11.285 -10.638 -7.437 981 1HG2 THR 124 2HG2 THR 124 -7.732 -10.891 -8.002 982 2HG2 THR 124 1HG2 THR 124 -8.640 -11.045 -9.514 983 3HG2 THR 124 3HG2 THR 124 -7.800 -9.546 -9.137 984 H LYS 125 HN LYS 125 -7.059 -8.340 -8.156 985 HA LYS 125 HA LYS 125 -6.501 -5.810 -7.188 986 1HB LYS 125 HB2 LYS 125 -4.875 -5.672 -9.071 987 2HB LYS 125 HB1 LYS 125 -4.730 -7.118 -8.084 988 1HG LYS 125 HG2 LYS 125 -5.932 -8.406 -9.800 989 2HG LYS 125 HG1 LYS 125 -6.094 -6.949 -10.772 990 1HD LYS 125 HD2 LYS 125 -3.480 -8.236 -9.982 991 2HD LYS 125 HD1 LYS 125 -4.274 -8.448 -11.539 992 1HE LYS 125 HE2 LYS 125 -4.116 -5.972 -11.868 993 2HE LYS 125 HE1 LYS 125 -3.162 -5.875 -10.398 994 1HZ LYS 125 HZ3 LYS 125 -1.532 -7.413 -11.473 995 2HZ LYS 125 HZ2 LYS 125 -2.459 -7.345 -12.871 996 3HZ LYS 125 HZ1 LYS 125 -1.712 -5.952 -12.303 997 H ALA 126 HN ALA 126 -8.202 -6.676 -10.194 998 HA ALA 126 HA ALA 126 -8.127 -3.933 -11.050 999 1HB ALA 126 HB2 ALA 126 -9.212 -4.765 -13.049 1000 2HB ALA 126 HB3 ALA 126 -9.486 -6.327 -12.257 1001 3HB ALA 126 HB1 ALA 126 -7.845 -5.802 -12.606 1002 H GLU 127 HN GLU 127 -10.112 -6.130 -9.416 1003 HA GLU 127 HA GLU 127 -12.558 -4.725 -9.734 1004 1HB GLU 127 HB2 GLU 127 -11.762 -6.451 -7.465 1005 2HB GLU 127 HB1 GLU 127 -13.394 -6.080 -8.000 1006 1HG GLU 127 HG2 GLU 127 -12.634 -7.282 -10.170 1007 2HG GLU 127 HG1 GLU 127 -11.338 -7.837 -9.159 1008 H PHE 128 HN PHE 128 -9.864 -4.647 -7.487 1009 HA PHE 128 HA PHE 128 -11.023 -3.087 -5.481 1010 1HB PHE 128 HB2 PHE 128 -8.963 -4.319 -5.100 1011 2HB PHE 128 HB1 PHE 128 -8.139 -3.393 -6.347 1012 HD1 PHE 128 HD1 PHE 128 -7.597 -1.099 -6.004 1013 HD2 PHE 128 HD2 PHE 128 -9.307 -3.428 -2.936 1014 HE1 PHE 128 HE1 PHE 128 -6.920 0.621 -4.366 1015 HE2 PHE 128 HE2 PHE 128 -8.657 -1.736 -1.254 1016 HZ PHE 128 HZ PHE 128 -7.462 0.300 -1.970 1017 H GLU 129 HN GLU 129 -8.915 -2.150 -8.191 1018 HA GLU 129 HA GLU 129 -9.203 0.588 -7.705 1019 1HB GLU 129 HB2 GLU 129 -8.446 0.845 -10.115 1020 2HB GLU 129 HB1 GLU 129 -7.359 -0.016 -9.038 1021 1HG GLU 129 HG2 GLU 129 -7.809 -2.045 -9.983 1022 2HG GLU 129 HG1 GLU 129 -9.332 -1.501 -10.675 1023 H ASP 130 HN ASP 130 -11.236 -1.695 -9.306 1024 HA ASP 130 HA ASP 130 -12.824 0.094 -10.829 1025 1HB ASP 130 HB2 ASP 130 -12.783 -2.329 -11.234 1026 2HB ASP 130 HB1 ASP 130 -13.511 -2.600 -9.669 1027 H VAL 131 HN VAL 131 -13.294 -1.457 -7.715 1028 HA VAL 131 HA VAL 131 -15.668 0.004 -7.190 1029 HB VAL 131 HB VAL 131 -15.334 -2.151 -6.038 1030 1HG1 VAL 131 1HG1 VAL 131 -12.954 -2.110 -5.818 1031 2HG1 VAL 131 3HG1 VAL 131 -13.068 -0.864 -4.576 1032 3HG1 VAL 131 2HG1 VAL 131 -13.738 -2.473 -4.279 1033 1HG2 VAL 131 1HG2 VAL 131 -15.380 0.123 -4.080 1034 2HG2 VAL 131 3HG2 VAL 131 -16.780 -0.563 -4.914 1035 3HG2 VAL 131 2HG2 VAL 131 -15.875 -1.537 -3.748 1036 H ILE 132 HN ILE 132 -12.288 0.543 -6.372 1037 HA ILE 132 HA ILE 132 -12.759 2.774 -4.746 1038 HB ILE 132 HB ILE 132 -10.381 1.477 -5.917 1039 1HG1 ILE 132 2HG1 ILE 132 -9.460 1.818 -3.663 1040 2HG1 ILE 132 1HG1 ILE 132 -10.849 2.805 -3.242 1041 1HG2 ILE 132 1HG2 ILE 132 -10.007 3.690 -6.788 1042 2HG2 ILE 132 3HG2 ILE 132 -10.172 4.385 -5.176 1043 3HG2 ILE 132 2HG2 ILE 132 -8.821 3.298 -5.538 1044 1HD1 ILE 132 3HD1 ILE 132 -10.899 -0.124 -3.933 1045 2HD1 ILE 132 2HD1 ILE 132 -11.023 0.566 -2.314 1046 3HD1 ILE 132 1HD1 ILE 132 -12.297 0.859 -3.501 1047 H GLU 133 HN GLU 133 -12.356 2.505 -8.243 1048 HA GLU 133 HA GLU 133 -12.146 5.270 -8.569 1049 1HB GLU 133 HB2 GLU 133 -12.572 4.935 -10.945 1050 2HB GLU 133 HB1 GLU 133 -11.355 3.825 -10.343 1051 1HG GLU 133 HG2 GLU 133 -13.035 2.079 -10.256 1052 2HG GLU 133 HG1 GLU 133 -14.206 3.229 -10.907 1053 H HIS 134 HN HIS 134 -14.809 3.146 -8.208 1054 HA HIS 134 HA HIS 134 -16.844 4.990 -8.989 1055 1HB HIS 134 HB2 HIS 134 -17.040 2.444 -8.816 1056 2HB HIS 134 HB1 HIS 134 -17.063 2.685 -7.070 1057 HD1 HIS 134 HD1 HIS 134 -19.311 3.004 -10.081 1058 HD2 HIS 134 HD2 HIS 134 -19.361 3.648 -5.985 1059 HE1 HIS 134 HE1 HIS 134 -21.724 3.248 -9.441 1060 H MET 135 HN MET 135 -15.261 4.081 -6.012 1061 HA MET 135 HA MET 135 -16.725 5.653 -4.167 1062 1HB MET 135 HB2 MET 135 -13.794 4.945 -4.012 1063 2HB MET 135 HB1 MET 135 -14.803 5.472 -2.689 1064 1HG MET 135 HG2 MET 135 -15.131 2.882 -4.191 1065 2HG MET 135 HG1 MET 135 -14.276 3.054 -2.672 1066 1HE MET 135 HE1 MET 135 -17.575 2.411 -4.447 1067 2HE MET 135 HE3 MET 135 -18.805 2.804 -3.263 1068 3HE MET 135 HE2 MET 135 -17.980 4.107 -4.128 1069 H LYS 136 HN LYS 136 -13.755 6.361 -5.988 1070 HA LYS 136 HA LYS 136 -13.485 8.974 -4.915 1071 1HB LYS 136 HB2 LYS 136 -11.738 9.377 -6.539 1072 2HB LYS 136 HB1 LYS 136 -11.555 7.763 -5.867 1073 1HG LYS 136 HG2 LYS 136 -12.640 6.843 -7.831 1074 2HG LYS 136 HG1 LYS 136 -12.785 8.446 -8.509 1075 1HD LYS 136 HD2 LYS 136 -10.854 7.216 -9.453 1076 2HD LYS 136 HD1 LYS 136 -10.393 8.705 -8.633 1077 1HE LYS 136 HE2 LYS 136 -9.620 7.503 -6.733 1078 2HE LYS 136 HE1 LYS 136 -10.293 5.989 -7.328 1079 1HZ LYS 136 HZ1 LYS 136 -8.054 7.530 -8.588 1080 2HZ LYS 136 HZ3 LYS 136 -7.890 6.114 -7.696 1081 3HZ LYS 136 HZ2 LYS 136 -8.687 6.084 -9.158 1082 H THR 137 HN THR 137 -15.488 7.670 -7.399 1083 HA THR 137 HA THR 137 -15.734 10.056 -8.886 1084 HB THR 137 HB THR 137 -16.533 7.466 -9.335 1085 HG1 THR 137 HG1 THR 137 -16.397 9.552 -10.713 1086 1HG2 THR 137 3HG2 THR 137 -19.086 8.999 -8.729 1087 2HG2 THR 137 2HG2 THR 137 -19.015 7.445 -9.564 1088 3HG2 THR 137 1HG2 THR 137 -18.492 7.566 -7.887 1089 H TYR 138 HN TYR 138 -16.992 8.893 -5.916 1090 HA TYR 138 HA TYR 138 -18.901 11.021 -5.738 1091 1HB TYR 138 HB2 TYR 138 -18.032 8.850 -3.816 1092 2HB TYR 138 HB1 TYR 138 -19.312 10.005 -3.457 1093 HD1 TYR 138 HD1 TYR 138 -20.995 10.226 -5.519 1094 HD2 TYR 138 HD2 TYR 138 -18.812 6.702 -4.556 1095 HE1 TYR 138 HE1 TYR 138 -22.627 8.864 -6.772 1096 HE2 TYR 138 HE2 TYR 138 -20.378 5.375 -5.795 1097 HH TYR 138 HH TYR 138 -22.586 6.663 -7.938 1098 H SER 139 HN SER 139 -16.088 9.892 -3.893 1099 HA SER 139 HA SER 139 -14.569 10.839 -2.612 1100 1HB SER 139 HB2 SER 139 -13.349 12.767 -3.546 1101 2HB SER 139 HB1 SER 139 -13.636 11.506 -4.733 1102 HG SER 139 HG SER 139 -15.683 13.057 -4.973 1103 H GLY 140 HN GLY 140 -17.503 11.947 -2.276 1104 1HA GLY 140 HA1 GLY 140 -16.890 14.393 -0.922 1105 2HA GLY 140 HA2 GLY 140 -17.622 13.060 0.005 No H/Q in entry = 1105 Start of MODEL 8 1 H1 ALA 1 HT3 ALA 1 32.834 9.889 -8.424 2 H2 ALA 1 HT2 ALA 1 31.808 11.146 -8.893 3 H3 ALA 1 HT1 ALA 1 33.466 11.261 -9.153 4 HA ALA 1 HA ALA 1 32.907 12.639 -7.345 5 1HB ALA 1 HB1 ALA 1 30.878 11.436 -6.620 6 2HB ALA 1 HB2 ALA 1 31.988 11.714 -5.281 7 3HB ALA 1 HB3 ALA 1 31.884 10.119 -6.015 8 H GLU 2 HN GLU 2 33.763 9.325 -6.382 9 HA GLU 2 HA GLU 2 36.521 10.126 -6.096 10 1HB GLU 2 HB2 GLU 2 36.597 9.149 -3.808 11 2HB GLU 2 HB1 GLU 2 35.612 10.602 -3.880 12 1HG GLU 2 HG2 GLU 2 33.593 9.163 -3.964 13 2HG GLU 2 HG1 GLU 2 34.634 7.753 -3.785 14 H VAL 3 HN VAL 3 37.788 8.018 -5.537 15 HA VAL 3 HA VAL 3 36.900 6.075 -7.397 16 HB VAL 3 HB VAL 3 38.790 4.705 -6.751 17 1HG1 VAL 3 1HG1 VAL 3 39.240 6.518 -8.234 18 2HG1 VAL 3 3HG1 VAL 3 39.564 7.597 -6.875 19 3HG1 VAL 3 2HG1 VAL 3 40.633 6.223 -7.190 20 1HG2 VAL 3 3HG2 VAL 3 39.184 6.627 -4.459 21 2HG2 VAL 3 2HG2 VAL 3 38.684 4.936 -4.379 22 3HG2 VAL 3 1HG2 VAL 3 40.316 5.342 -4.923 23 H GLU 4 HN GLU 4 36.344 3.964 -6.945 24 HA GLU 4 HA GLU 4 34.686 3.857 -4.585 25 1HB GLU 4 HB2 GLU 4 34.806 1.949 -6.930 26 2HB GLU 4 HB1 GLU 4 33.601 1.931 -5.642 27 1HG GLU 4 HG2 GLU 4 32.939 4.237 -6.298 28 2HG GLU 4 HG1 GLU 4 34.037 4.121 -7.662 29 H HIS 5 HN HIS 5 35.236 2.841 -2.881 30 HA HIS 5 HA HIS 5 37.748 1.461 -2.986 31 1HB HIS 5 HB2 HIS 5 37.777 1.608 -0.476 32 2HB HIS 5 HB1 HIS 5 37.885 3.116 -1.346 33 HD1 HIS 5 HD1 HIS 5 36.912 2.568 1.724 34 HD2 HIS 5 HD2 HIS 5 34.514 3.580 -1.534 35 HE1 HIS 5 HE1 HIS 5 34.889 3.702 2.658 36 H TYR 6 HN TYR 6 38.103 -0.275 -1.289 37 HA TYR 6 HA TYR 6 36.586 -2.510 -2.287 38 1HB TYR 6 HB2 TYR 6 38.784 -2.442 -0.248 39 2HB TYR 6 HB1 TYR 6 38.303 -3.808 -1.253 40 HD1 TYR 6 HD1 TYR 6 38.840 -3.763 -3.699 41 HD2 TYR 6 HD2 TYR 6 40.306 -0.789 -1.034 42 HE1 TYR 6 HE1 TYR 6 40.526 -3.101 -5.359 43 HE2 TYR 6 HE2 TYR 6 41.995 -0.126 -2.687 44 HH TYR 6 HH TYR 6 43.164 -1.185 -4.568 45 H GLU 7 HN GLU 7 36.462 -0.455 0.300 46 HA GLU 7 HA GLU 7 35.624 -2.262 2.369 47 1HB GLU 7 HB2 GLU 7 35.563 0.756 2.234 48 2HB GLU 7 HB1 GLU 7 35.404 -0.226 3.689 49 1HG GLU 7 HG2 GLU 7 37.649 -0.978 3.532 50 2HG GLU 7 HG1 GLU 7 37.827 -0.300 1.917 51 HA PRO 8 HA PRO 8 31.541 -2.071 0.551 52 1HB PRO 8 HB2 PRO 8 30.430 -4.001 2.046 53 2HB PRO 8 HB1 PRO 8 31.434 -4.318 0.630 54 1HG PRO 8 HG2 PRO 8 32.081 -4.553 3.526 55 2HG PRO 8 HG1 PRO 8 32.714 -5.482 2.159 56 1HD PRO 8 HD2 PRO 8 34.027 -3.400 3.459 57 2HD PRO 8 HD1 PRO 8 34.429 -4.030 1.847 58 H LEU 9 HN LEU 9 29.502 -1.634 1.149 59 HA LEU 9 HA LEU 9 29.280 -0.036 3.626 60 1HB LEU 9 HB2 LEU 9 28.725 0.679 0.993 61 2HB LEU 9 HB1 LEU 9 27.221 0.067 1.541 62 HG LEU 9 HG LEU 9 27.298 2.511 1.759 63 1HD1 LEU 9 1HD1 LEU 9 27.092 1.093 4.406 64 2HD1 LEU 9 3HD1 LEU 9 26.457 2.694 4.047 65 3HD1 LEU 9 2HD1 LEU 9 25.796 1.277 3.229 66 1HD2 LEU 9 1HD2 LEU 9 29.661 2.758 2.264 67 2HD2 LEU 9 3HD2 LEU 9 28.657 3.551 3.476 68 3HD2 LEU 9 2HD2 LEU 9 29.407 1.998 3.839 69 H GLN 10 HN GLN 10 28.134 -1.046 5.156 70 HA GLN 10 HA GLN 10 26.325 -3.153 4.439 71 1HB GLN 10 HB2 GLN 10 27.137 -1.953 7.058 72 2HB GLN 10 HB1 GLN 10 25.770 -3.044 6.929 73 1HG GLN 10 HG2 GLN 10 27.290 -4.720 5.962 74 2HG GLN 10 HG1 GLN 10 28.638 -3.626 6.284 75 1HE2 GLN 10 1HE2 GLN 10 27.956 -6.319 7.415 76 2HE2 GLN 10 2HE2 GLN 10 27.966 -6.069 9.115 77 H VAL 11 HN VAL 11 24.659 -2.403 3.432 78 HA VAL 11 HA VAL 11 23.340 0.026 4.375 79 HB VAL 11 HB VAL 11 22.456 -1.652 2.064 80 1HG1 VAL 11 2HG1 VAL 11 20.938 0.018 2.789 81 2HG1 VAL 11 1HG1 VAL 11 22.177 1.271 2.662 82 3HG1 VAL 11 3HG1 VAL 11 21.592 0.452 1.212 83 1HG2 VAL 11 3HG2 VAL 11 24.820 -1.222 1.706 84 2HG2 VAL 11 2HG2 VAL 11 23.823 -0.364 0.539 85 3HG2 VAL 11 1HG2 VAL 11 24.554 0.517 1.893 86 H HIS 12 HN HIS 12 21.747 -0.249 5.816 87 HA HIS 12 HA HIS 12 20.245 -2.746 5.726 88 1HB HIS 12 HB2 HIS 12 21.045 -1.890 7.973 89 2HB HIS 12 HB1 HIS 12 20.014 -0.480 7.742 90 HD1 HIS 12 HD1 HIS 12 17.653 -0.717 8.657 91 HD2 HIS 12 HD2 HIS 12 19.490 -4.386 8.009 92 HE1 HIS 12 HE1 HIS 12 16.034 -2.473 9.449 93 H VAL 13 HN VAL 13 18.575 -2.744 4.502 94 HA VAL 13 HA VAL 13 17.357 -0.204 3.716 95 HB VAL 13 HB VAL 13 16.573 -1.367 1.730 96 1HG1 VAL 13 2HG1 VAL 13 18.717 -0.224 1.691 97 2HG1 VAL 13 1HG1 VAL 13 19.510 -1.725 2.177 98 3HG1 VAL 13 3HG1 VAL 13 18.707 -1.633 0.613 99 1HG2 VAL 13 1HG2 VAL 13 16.436 -3.642 2.619 100 2HG2 VAL 13 3HG2 VAL 13 17.388 -3.579 1.131 101 3HG2 VAL 13 2HG2 VAL 13 18.203 -3.697 2.689 102 H GLN 14 HN GLN 14 15.410 0.166 4.014 103 HA GLN 14 HA GLN 14 13.703 -1.965 5.057 104 1HB GLN 14 HB2 GLN 14 13.819 -0.057 6.571 105 2HB GLN 14 HB1 GLN 14 13.413 1.051 5.265 106 1HG GLN 14 HG2 GLN 14 11.191 0.111 5.130 107 2HG GLN 14 HG1 GLN 14 11.602 -1.110 6.334 108 1HE2 GLN 14 1HE2 GLN 14 9.544 0.962 6.322 109 2HE2 GLN 14 2HE2 GLN 14 9.796 1.898 7.752 110 H LEU 15 HN LEU 15 12.781 -2.885 3.463 111 HA LEU 15 HA LEU 15 12.137 -1.404 1.066 112 1HB LEU 15 HB2 LEU 15 12.207 -4.348 1.698 113 2HB LEU 15 HB1 LEU 15 11.904 -3.672 0.113 114 HG LEU 15 HG LEU 15 14.470 -3.488 1.679 115 1HD1 LEU 15 3HD1 LEU 15 13.707 -5.127 -0.714 116 2HD1 LEU 15 2HD1 LEU 15 15.371 -4.839 -0.219 117 3HD1 LEU 15 1HD1 LEU 15 14.268 -5.702 0.855 118 1HD2 LEU 15 2HD2 LEU 15 13.829 -2.456 -1.081 119 2HD2 LEU 15 1HD2 LEU 15 14.184 -1.481 0.343 120 3HD2 LEU 15 3HD2 LEU 15 15.438 -2.501 -0.365 121 H GLU 16 HN GLU 16 10.200 -0.522 1.225 122 HA GLU 16 HA GLU 16 7.989 -1.911 2.584 123 1HB GLU 16 HB2 GLU 16 8.086 0.779 1.219 124 2HB GLU 16 HB1 GLU 16 6.690 0.116 2.025 125 1HG GLU 16 HG2 GLU 16 7.860 0.239 4.153 126 2HG GLU 16 HG1 GLU 16 9.281 0.906 3.340 127 H LYS 17 HN LYS 17 6.231 -2.610 1.445 128 HA LYS 17 HA LYS 17 6.375 -2.324 -1.472 129 1HB LYS 17 HB2 LYS 17 5.691 -4.876 0.029 130 2HB LYS 17 HB1 LYS 17 5.671 -4.687 -1.717 131 1HG LYS 17 HG2 LYS 17 8.057 -4.361 -1.783 132 2HG LYS 17 HG1 LYS 17 8.140 -4.329 -0.027 133 1HD LYS 17 HD2 LYS 17 7.414 -6.691 0.017 134 2HD LYS 17 HD1 LYS 17 7.421 -6.707 -1.751 135 1HE LYS 17 HE2 LYS 17 9.787 -6.191 -1.784 136 2HE LYS 17 HE1 LYS 17 9.811 -6.048 -0.031 137 1HZ LYS 17 HZ3 LYS 17 9.131 -8.487 -0.026 138 2HZ LYS 17 HZ2 LYS 17 9.491 -8.488 -1.673 139 3HZ LYS 17 HZ1 LYS 17 10.698 -8.127 -0.560 140 H VAL 18 HN VAL 18 4.677 -0.931 -1.798 141 HA VAL 18 HA VAL 18 2.420 -1.234 0.017 142 HB VAL 18 HB VAL 18 2.920 1.045 -1.934 143 1HG1 VAL 18 3HG1 VAL 18 0.631 0.843 -1.360 144 2HG1 VAL 18 2HG1 VAL 18 1.024 0.909 0.367 145 3HG1 VAL 18 1HG1 VAL 18 1.356 2.296 -0.682 146 1HG2 VAL 18 2HG2 VAL 18 4.719 0.945 -0.326 147 2HG2 VAL 18 1HG2 VAL 18 3.688 2.347 -0.067 148 3HG2 VAL 18 3HG2 VAL 18 3.553 0.947 1.010 149 H TYR 19 HN TYR 19 1.210 -2.792 -0.715 150 HA TYR 19 HA TYR 19 0.541 -3.082 -3.499 151 1HB TYR 19 HB2 TYR 19 -0.448 -4.478 -1.009 152 2HB TYR 19 HB1 TYR 19 -0.919 -4.916 -2.647 153 HD1 TYR 19 HD1 TYR 19 0.522 -6.161 -4.055 154 HD2 TYR 19 HD2 TYR 19 1.899 -4.830 -0.258 155 HE1 TYR 19 HE1 TYR 19 2.465 -7.644 -4.251 156 HE2 TYR 19 HE2 TYR 19 3.847 -6.319 -0.440 157 HH TYR 19 HH TYR 19 4.584 -7.997 -3.397 158 H LEU 20 HN LEU 20 -1.773 -3.142 -4.155 159 HA LEU 20 HA LEU 20 -3.077 -0.707 -3.455 160 1HB LEU 20 HB2 LEU 20 -4.063 -3.090 -5.000 161 2HB LEU 20 HB1 LEU 20 -5.050 -1.668 -4.736 162 HG LEU 20 HG LEU 20 -3.246 -0.385 -5.912 163 1HD1 LEU 20 3HD1 LEU 20 -2.366 -3.154 -6.645 164 2HD1 LEU 20 2HD1 LEU 20 -1.849 -1.699 -7.496 165 3HD1 LEU 20 1HD1 LEU 20 -1.431 -1.939 -5.789 166 1HD2 LEU 20 2HD2 LEU 20 -4.821 -2.479 -7.364 167 2HD2 LEU 20 1HD2 LEU 20 -5.343 -0.848 -6.963 168 3HD2 LEU 20 3HD2 LEU 20 -4.055 -1.096 -8.151 169 H ASP 21 HN ASP 21 -3.281 -3.892 -2.433 170 HA ASP 21 HA ASP 21 -5.666 -4.152 -1.037 171 1HB ASP 21 HB2 ASP 21 -4.138 -6.002 -1.230 172 2HB ASP 21 HB1 ASP 21 -2.912 -5.141 -0.313 173 H GLY 22 HN GLY 22 -2.674 -2.636 -0.010 174 1HA GLY 22 HA1 GLY 22 -4.146 -1.485 2.250 175 2HA GLY 22 HA2 GLY 22 -2.900 -0.629 1.345 176 H ASP 23 HN ASP 23 -2.608 -4.011 2.165 177 HA ASP 23 HA ASP 23 -0.982 -3.479 4.442 178 1HB ASP 23 HB2 ASP 23 -2.193 -5.563 4.344 179 2HB ASP 23 HB1 ASP 23 -1.351 -6.035 2.867 180 H VAL 24 HN VAL 24 0.915 -2.684 4.357 181 HA VAL 24 HA VAL 24 2.565 -3.007 1.981 182 HB VAL 24 HB VAL 24 3.119 -1.358 4.461 183 1HG1 VAL 24 2HG1 VAL 24 4.309 -1.262 1.723 184 2HG1 VAL 24 1HG1 VAL 24 4.654 -0.122 3.032 185 3HG1 VAL 24 3HG1 VAL 24 5.087 -1.826 3.196 186 1HG2 VAL 24 2HG2 VAL 24 1.800 -0.529 1.890 187 2HG2 VAL 24 1HG2 VAL 24 1.048 -0.568 3.477 188 3HG2 VAL 24 3HG2 VAL 24 2.338 0.597 3.147 189 H SER 25 HN SER 25 3.949 -4.558 1.919 190 HA SER 25 HA SER 25 4.649 -6.053 4.263 191 1HB SER 25 HB2 SER 25 5.741 -6.193 1.458 192 2HB SER 25 HB1 SER 25 5.896 -7.443 2.692 193 HG SER 25 HG SER 25 3.453 -7.266 2.660 194 H ILE 26 HN ILE 26 6.267 -5.641 5.552 195 HA ILE 26 HA ILE 26 8.205 -3.633 4.704 196 HB ILE 26 HB ILE 26 7.420 -4.550 7.475 197 1HG1 ILE 26 2HG1 ILE 26 5.655 -3.236 6.474 198 2HG1 ILE 26 1HG1 ILE 26 6.460 -2.268 7.707 199 1HG2 ILE 26 1HG2 ILE 26 9.762 -3.851 7.406 200 2HG2 ILE 26 3HG2 ILE 26 9.291 -2.338 6.628 201 3HG2 ILE 26 2HG2 ILE 26 8.790 -2.669 8.288 202 1HD1 ILE 26 3HD1 ILE 26 7.686 -1.090 5.950 203 2HD1 ILE 26 2HD1 ILE 26 6.852 -2.068 4.736 204 3HD1 ILE 26 1HD1 ILE 26 5.934 -0.960 5.752 205 H GLU 27 HN GLU 27 9.954 -4.453 3.998 206 HA GLU 27 HA GLU 27 10.947 -6.920 5.180 207 1HB GLU 27 HB2 GLU 27 10.422 -7.425 2.971 208 2HB GLU 27 HB1 GLU 27 10.935 -5.855 2.396 209 1HG GLU 27 HG2 GLU 27 13.116 -6.427 2.332 210 2HG GLU 27 HG1 GLU 27 12.967 -7.713 3.508 211 H HIS 28 HN HIS 28 12.844 -6.865 6.116 212 HA HIS 28 HA HIS 28 14.463 -4.421 5.834 213 1HB HIS 28 HB2 HIS 28 14.154 -6.209 8.262 214 2HB HIS 28 HB1 HIS 28 15.344 -4.923 8.138 215 HD1 HIS 28 HD1 HIS 28 12.841 -5.146 10.252 216 HD2 HIS 28 HD2 HIS 28 13.176 -2.715 6.903 217 HE1 HIS 28 HE1 HIS 28 11.335 -3.192 10.674 218 H LYS 29 HN LYS 29 16.400 -4.711 4.970 219 HA LYS 29 HA LYS 29 17.648 -7.360 5.167 220 1HB LYS 29 HB2 LYS 29 17.529 -5.589 2.778 221 2HB LYS 29 HB1 LYS 29 18.603 -6.950 2.909 222 1HG LYS 29 HG2 LYS 29 16.221 -8.179 3.274 223 2HG LYS 29 HG1 LYS 29 15.726 -6.775 2.347 224 1HD LYS 29 HD2 LYS 29 18.049 -8.424 1.638 225 2HD LYS 29 HD1 LYS 29 16.436 -8.750 0.937 226 1HE LYS 29 HE2 LYS 29 16.470 -6.466 -0.015 227 2HE LYS 29 HE1 LYS 29 18.063 -6.190 0.688 228 1HZ LYS 29 HZ1 LYS 29 17.415 -8.208 -1.410 229 2HZ LYS 29 HZ3 LYS 29 18.187 -6.724 -1.636 230 3HZ LYS 29 HZ2 LYS 29 18.944 -7.921 -0.737 231 H HIS 30 HN HIS 30 19.872 -7.280 5.132 232 HA HIS 30 HA HIS 30 21.042 -4.623 4.968 233 1HB HIS 30 HB2 HIS 30 22.787 -5.158 6.613 234 2HB HIS 30 HB1 HIS 30 21.205 -5.309 7.348 235 HD1 HIS 30 HD1 HIS 30 20.700 -7.578 8.462 236 HD2 HIS 30 HD2 HIS 30 24.183 -7.581 6.209 237 HE1 HIS 30 HE1 HIS 30 21.868 -9.735 8.981 238 H GLU 31 HN GLU 31 22.349 -4.384 3.270 239 HA GLU 31 HA GLU 31 23.776 -6.791 2.460 240 1HB GLU 31 HB2 GLU 31 23.333 -6.358 0.115 241 2HB GLU 31 HB1 GLU 31 21.843 -6.505 1.034 242 1HG GLU 31 HG2 GLU 31 21.562 -4.110 1.019 243 2HG GLU 31 HG1 GLU 31 23.059 -3.953 0.088 244 H LYS 32 HN LYS 32 25.835 -6.555 2.041 245 HA LYS 32 HA LYS 32 27.065 -4.001 2.235 246 1HB LYS 32 HB2 LYS 32 28.022 -6.767 1.758 247 2HB LYS 32 HB1 LYS 32 29.088 -5.379 1.596 248 1HG LYS 32 HG2 LYS 32 28.572 -4.733 3.867 249 2HG LYS 32 HG1 LYS 32 27.521 -6.128 4.020 250 1HD LYS 32 HD2 LYS 32 29.301 -7.658 3.731 251 2HD LYS 32 HD1 LYS 32 30.424 -6.365 3.282 252 1HE LYS 32 HE2 LYS 32 30.302 -5.426 5.373 253 2HE LYS 32 HE1 LYS 32 28.978 -6.495 5.846 254 1HZ LYS 32 HZ1 LYS 32 31.769 -7.425 5.242 255 2HZ LYS 32 HZ3 LYS 32 31.144 -7.239 6.791 256 3HZ LYS 32 HZ2 LYS 32 30.509 -8.392 5.758 257 H VAL 33 HN VAL 33 27.381 -2.677 0.659 258 HA VAL 33 HA VAL 33 27.600 -3.838 -2.025 259 HB VAL 33 HB VAL 33 26.397 -2.225 -2.985 260 1HG1 VAL 33 2HG1 VAL 33 25.327 -2.093 -0.244 261 2HG1 VAL 33 1HG1 VAL 33 24.471 -1.505 -1.654 262 3HG1 VAL 33 3HG1 VAL 33 24.833 -3.244 -1.518 263 1HG2 VAL 33 2HG2 VAL 33 27.720 -0.304 -2.420 264 2HG2 VAL 33 1HG2 VAL 33 25.991 0.023 -2.312 265 3HG2 VAL 33 3HG2 VAL 33 26.933 -0.187 -0.822 266 H PHE 34 HN PHE 34 29.229 -2.992 -3.362 267 HA PHE 34 HA PHE 34 31.346 -1.658 -1.876 268 1HB PHE 34 HB2 PHE 34 31.264 -2.917 -4.591 269 2HB PHE 34 HB1 PHE 34 32.719 -2.253 -3.848 270 HD1 PHE 34 HD1 PHE 34 33.151 -3.259 -1.380 271 HD2 PHE 34 HD2 PHE 34 30.981 -5.188 -4.490 272 HE1 PHE 34 HE1 PHE 34 33.596 -5.439 -0.332 273 HE2 PHE 34 HE2 PHE 34 31.408 -7.369 -3.439 274 HZ PHE 34 HZ PHE 34 32.721 -7.496 -1.357 275 H SER 35 HN SER 35 29.258 -1.311 -4.690 276 HA SER 35 HA SER 35 30.142 1.432 -4.962 277 1HB SER 35 HB2 SER 35 30.396 0.059 -6.987 278 2HB SER 35 HB1 SER 35 28.695 -0.421 -6.857 279 HG SER 35 HG SER 35 29.815 2.094 -7.348 280 H MET 36 HN MET 36 28.766 2.716 -3.910 281 HA MET 36 HA MET 36 26.147 1.925 -3.163 282 1HB MET 36 HB2 MET 36 27.576 4.543 -3.187 283 2HB MET 36 HB1 MET 36 25.836 4.527 -2.963 284 1HG MET 36 HG2 MET 36 27.009 2.587 -1.224 285 2HG MET 36 HG1 MET 36 27.839 4.157 -1.069 286 1HE MET 36 HE2 MET 36 24.236 3.536 -2.172 287 2HE MET 36 HE1 MET 36 24.208 2.368 -0.865 288 3HE MET 36 HE3 MET 36 23.251 3.868 -0.764 289 H ASP 37 HN ASP 37 27.534 3.331 -5.873 290 HA ASP 37 HA ASP 37 25.184 4.388 -7.092 291 1HB ASP 37 HB2 ASP 37 27.402 5.091 -7.865 292 2HB ASP 37 HB1 ASP 37 27.737 3.446 -8.404 293 H ASP 38 HN ASP 38 26.726 1.257 -7.040 294 HA ASP 38 HA ASP 38 25.061 0.157 -9.083 295 1HB ASP 38 HB2 ASP 38 27.291 -0.831 -8.506 296 2HB ASP 38 HB1 ASP 38 26.622 -1.294 -6.950 297 H PHE 39 HN PHE 39 25.013 0.364 -5.579 298 HA PHE 39 HA PHE 39 22.855 -1.239 -5.070 299 1HB PHE 39 HB2 PHE 39 24.239 -0.420 -3.314 300 2HB PHE 39 HB1 PHE 39 23.858 1.250 -3.703 301 HD1 PHE 39 HD1 PHE 39 22.597 -1.841 -2.172 302 HD2 PHE 39 HD2 PHE 39 21.842 2.242 -3.008 303 HE1 PHE 39 HE1 PHE 39 20.756 -1.867 -0.553 304 HE2 PHE 39 HE2 PHE 39 19.985 2.239 -1.409 305 HZ PHE 39 HZ PHE 39 19.433 0.193 -0.187 306 H TRP 40 HN TRP 40 23.121 2.227 -5.819 307 HA TRP 40 HA TRP 40 20.390 2.855 -5.737 308 1HB TRP 40 HB2 TRP 40 22.589 4.202 -7.290 309 2HB TRP 40 HB1 TRP 40 20.988 4.901 -7.041 310 HD1 TRP 40 HD1 TRP 40 24.224 5.500 -5.789 311 HE1 TRP 40 HE1 TRP 40 24.316 6.165 -3.335 312 HE3 TRP 40 HE3 TRP 40 19.529 4.099 -4.486 313 HZ2 TRP 40 HZ2 TRP 40 22.513 6.135 -1.086 314 HZ3 TRP 40 HZ3 TRP 40 18.779 4.442 -2.201 315 HH2 TRP 40 HH2 TRP 40 20.172 5.435 -0.553 316 H ALA 41 HN ALA 41 22.415 1.703 -8.272 317 HA ALA 41 HA ALA 41 20.453 1.942 -10.329 318 1HB ALA 41 HB3 ALA 41 21.948 0.491 -11.628 319 2HB ALA 41 HB2 ALA 41 22.843 1.801 -10.854 320 3HB ALA 41 HB1 ALA 41 22.887 0.171 -10.175 321 H ALA 42 HN ALA 42 21.328 -0.532 -8.075 322 HA ALA 42 HA ALA 42 19.773 -2.609 -9.187 323 1HB ALA 42 HB1 ALA 42 21.597 -3.011 -7.617 324 2HB ALA 42 HB2 ALA 42 20.093 -3.725 -7.025 325 3HB ALA 42 HB3 ALA 42 20.693 -2.210 -6.345 326 H TYR 43 HN TYR 43 19.084 -0.166 -6.708 327 HA TYR 43 HA TYR 43 16.316 -1.129 -6.605 328 1HB TYR 43 HB2 TYR 43 17.940 0.514 -4.663 329 2HB TYR 43 HB1 TYR 43 16.224 0.174 -4.478 330 HD1 TYR 43 HD1 TYR 43 19.590 -1.312 -4.402 331 HD2 TYR 43 HD2 TYR 43 15.440 -1.995 -3.894 332 HE1 TYR 43 HE1 TYR 43 20.083 -3.501 -3.388 333 HE2 TYR 43 HE2 TYR 43 15.911 -4.179 -2.869 334 HH TYR 43 HH TYR 43 19.076 -5.051 -1.954 335 H ALA 44 HN ALA 44 17.791 0.807 -8.542 336 HA ALA 44 HA ALA 44 16.860 3.282 -8.451 337 1HB ALA 44 HB3 ALA 44 18.292 2.393 -10.207 338 2HB ALA 44 HB2 ALA 44 16.905 1.571 -10.925 339 3HB ALA 44 HB1 ALA 44 16.957 3.331 -10.876 340 H GLY 45 HN GLY 45 14.898 0.471 -9.179 341 1HA GLY 45 HA1 GLY 45 12.719 0.283 -9.908 342 2HA GLY 45 HA2 GLY 45 12.686 2.013 -10.205 343 H TRP 46 HN TRP 46 13.715 1.092 -7.030 344 HA TRP 46 HA TRP 46 11.080 1.166 -5.857 345 1HB TRP 46 HB2 TRP 46 13.837 1.343 -4.604 346 2HB TRP 46 HB1 TRP 46 12.330 1.124 -3.738 347 HD1 TRP 46 HD1 TRP 46 14.300 -0.782 -6.471 348 HE1 TRP 46 HE1 TRP 46 14.136 -3.295 -5.954 349 HE3 TRP 46 HE3 TRP 46 11.402 -0.524 -2.308 350 HZ2 TRP 46 HZ2 TRP 46 12.937 -4.941 -4.012 351 HZ3 TRP 46 HZ3 TRP 46 10.788 -2.598 -1.171 352 HH2 TRP 46 HH2 TRP 46 11.545 -4.766 -2.006 353 H THR 47 HN THR 47 10.385 2.983 -4.427 354 HA THR 47 HA THR 47 11.417 5.501 -5.304 355 HB THR 47 HB THR 47 9.200 4.691 -3.425 356 HG1 THR 47 HG1 THR 47 9.275 4.550 -6.000 357 1HG2 THR 47 2HG2 THR 47 9.894 7.407 -4.546 358 2HG2 THR 47 1HG2 THR 47 8.454 7.024 -3.583 359 3HG2 THR 47 3HG2 THR 47 10.062 6.876 -2.866 360 H LEU 48 HN LEU 48 13.082 6.371 -4.237 361 HA LEU 48 HA LEU 48 14.007 5.447 -1.677 362 1HB LEU 48 HB2 LEU 48 15.452 6.474 -3.418 363 2HB LEU 48 HB1 LEU 48 14.639 8.001 -3.105 364 HG LEU 48 HG LEU 48 15.430 7.426 -0.583 365 1HD1 LEU 48 1HD1 LEU 48 16.239 5.353 -0.990 366 2HD1 LEU 48 3HD1 LEU 48 17.460 6.009 -2.091 367 3HD1 LEU 48 2HD1 LEU 48 17.436 6.493 -0.382 368 1HD2 LEU 48 3HD2 LEU 48 17.130 8.614 -2.710 369 2HD2 LEU 48 2HD2 LEU 48 15.807 9.364 -1.765 370 3HD2 LEU 48 1HD2 LEU 48 17.270 8.816 -0.935 371 H VAL 49 HN VAL 49 13.202 6.019 0.169 372 HA VAL 49 HA VAL 49 11.624 8.433 0.149 373 HB VAL 49 HB VAL 49 11.469 6.151 2.184 374 1HG1 VAL 49 2HG1 VAL 49 9.878 8.688 2.024 375 2HG1 VAL 49 1HG1 VAL 49 9.524 7.294 3.065 376 3HG1 VAL 49 3HG1 VAL 49 11.032 8.180 3.271 377 1HG2 VAL 49 3HG2 VAL 49 10.612 5.628 -0.010 378 2HG2 VAL 49 2HG2 VAL 49 9.321 5.739 1.191 379 3HG2 VAL 49 1HG2 VAL 49 9.579 7.056 0.040 380 H GLU 50 HN GLU 50 14.198 6.854 1.868 381 HA GLU 50 HA GLU 50 15.372 9.388 2.353 382 1HB GLU 50 HB2 GLU 50 15.556 9.281 4.795 383 2HB GLU 50 HB1 GLU 50 13.861 9.394 4.318 384 1HG GLU 50 HG2 GLU 50 13.568 7.096 4.776 385 2HG GLU 50 HG1 GLU 50 15.296 6.868 5.085 386 H GLN 51 HN GLN 51 17.495 9.188 3.048 387 HA GLN 51 HA GLN 51 18.439 6.542 3.587 388 1HB GLN 51 HB2 GLN 51 20.363 6.868 2.077 389 2HB GLN 51 HB1 GLN 51 18.796 6.761 1.277 390 1HG GLN 51 HG2 GLN 51 18.761 9.128 0.930 391 2HG GLN 51 HG1 GLN 51 20.280 9.307 1.809 392 1HE2 GLN 51 1HE2 GLN 51 18.772 8.057 -0.960 393 2HE2 GLN 51 2HE2 GLN 51 20.173 7.783 -1.927 394 H LYS 52 HN LYS 52 20.179 6.467 4.856 395 HA LYS 52 HA LYS 52 21.469 8.903 5.709 396 1HB LYS 52 HB2 LYS 52 21.146 8.105 8.124 397 2HB LYS 52 HB1 LYS 52 19.717 8.789 7.349 398 1HG LYS 52 HG2 LYS 52 19.126 6.437 6.758 399 2HG LYS 52 HG1 LYS 52 20.348 5.908 7.923 400 1HD LYS 52 HD2 LYS 52 17.858 7.565 8.460 401 2HD LYS 52 HD1 LYS 52 18.131 5.908 8.966 402 1HE LYS 52 HE2 LYS 52 20.047 6.763 10.347 403 2HE LYS 52 HE1 LYS 52 19.472 8.378 9.896 404 1HZ LYS 52 HZ3 LYS 52 17.843 6.351 11.309 405 2HZ LYS 52 HZ2 LYS 52 18.600 7.616 12.074 406 3HZ LYS 52 HZ1 LYS 52 17.353 7.915 10.953 407 H LYS 53 HN LYS 53 23.397 8.155 7.197 408 HA LYS 53 HA LYS 53 24.835 6.392 5.493 409 1HB LYS 53 HB2 LYS 53 25.807 8.375 6.713 410 2HB LYS 53 HB1 LYS 53 25.726 7.424 8.187 411 1HG LYS 53 HG2 LYS 53 27.963 7.335 7.306 412 2HG LYS 53 HG1 LYS 53 27.219 5.744 7.136 413 1HD LYS 53 HD2 LYS 53 26.707 6.246 4.777 414 2HD LYS 53 HD1 LYS 53 27.482 7.820 4.949 415 1HE LYS 53 HE2 LYS 53 29.597 6.688 5.484 416 2HE LYS 53 HE1 LYS 53 28.783 5.134 5.285 417 1HZ LYS 53 HZ1 LYS 53 28.382 5.686 2.953 418 2HZ LYS 53 HZ3 LYS 53 29.143 7.173 3.142 419 3HZ LYS 53 HZ2 LYS 53 30.025 5.750 3.299 420 H GLY 54 HN GLY 54 24.100 4.366 5.481 421 1HA GLY 54 HA1 GLY 54 24.308 2.882 8.019 422 2HA GLY 54 HA2 GLY 54 24.814 2.227 6.472 423 H TYR 55 HN TYR 55 21.825 4.101 6.491 424 HA TYR 55 HA TYR 55 20.419 1.630 6.022 425 1HB TYR 55 HB2 TYR 55 19.871 1.945 8.243 426 2HB TYR 55 HB1 TYR 55 19.928 3.687 8.135 427 HD1 TYR 55 HD1 TYR 55 17.794 0.737 7.660 428 HD2 TYR 55 HD2 TYR 55 18.154 4.885 7.334 429 HE1 TYR 55 HE1 TYR 55 15.337 0.895 7.471 430 HE2 TYR 55 HE2 TYR 55 15.730 5.160 7.152 431 HH TYR 55 HH TYR 55 13.542 2.486 7.731 432 H VAL 56 HN VAL 56 18.905 1.791 4.480 433 HA VAL 56 HA VAL 56 18.252 4.431 3.407 434 HB VAL 56 HB VAL 56 19.004 1.978 1.769 435 1HG1 VAL 56 2HG1 VAL 56 17.107 3.143 0.775 436 2HG1 VAL 56 1HG1 VAL 56 17.992 4.664 0.855 437 3HG1 VAL 56 3HG1 VAL 56 18.562 3.369 -0.197 438 1HG2 VAL 56 2HG2 VAL 56 20.936 3.301 2.611 439 2HG2 VAL 56 1HG2 VAL 56 20.773 3.360 0.850 440 3HG2 VAL 56 3HG2 VAL 56 20.243 4.725 1.820 441 H LEU 57 HN LEU 57 16.136 4.679 3.031 442 HA LEU 57 HA LEU 57 14.422 2.350 3.362 443 1HB LEU 57 HB2 LEU 57 13.896 3.859 5.057 444 2HB LEU 57 HB1 LEU 57 14.130 5.244 4.016 445 HG LEU 57 HG LEU 57 12.046 4.694 2.858 446 1HD1 LEU 57 2HD1 LEU 57 11.937 2.403 3.144 447 2HD1 LEU 57 1HD1 LEU 57 11.537 2.586 4.879 448 3HD1 LEU 57 3HD1 LEU 57 10.486 3.296 3.621 449 1HD2 LEU 57 1HD2 LEU 57 11.833 5.109 5.821 450 2HD2 LEU 57 3HD2 LEU 57 11.870 6.345 4.558 451 3HD2 LEU 57 2HD2 LEU 57 10.487 5.272 4.699 452 H PHE 58 HN PHE 58 13.575 1.576 1.640 453 HA PHE 58 HA PHE 58 12.919 3.264 -0.690 454 1HB PHE 58 HB2 PHE 58 14.372 0.676 -0.516 455 2HB PHE 58 HB1 PHE 58 13.225 0.871 -1.824 456 HD1 PHE 58 HD1 PHE 58 16.552 1.243 -0.876 457 HD2 PHE 58 HD2 PHE 58 13.520 3.072 -3.181 458 HE1 PHE 58 HE1 PHE 58 18.254 2.329 -2.270 459 HE2 PHE 58 HE2 PHE 58 15.207 4.188 -4.556 460 HZ PHE 58 HZ PHE 58 17.574 3.811 -4.117 461 H ARG 59 HN ARG 59 11.002 2.880 -1.614 462 HA ARG 59 HA ARG 59 9.507 0.592 -0.598 463 1HB ARG 59 HB2 ARG 59 7.430 1.869 -0.658 464 2HB ARG 59 HB1 ARG 59 8.601 2.583 0.446 465 1HG ARG 59 HG2 ARG 59 9.120 4.291 -1.177 466 2HG ARG 59 HG1 ARG 59 8.003 3.528 -2.319 467 1HD ARG 59 HD2 ARG 59 7.028 5.425 -1.206 468 2HD ARG 59 HD1 ARG 59 6.150 3.942 -0.884 469 HE ARG 59 HE ARG 59 7.771 3.968 1.242 470 1HH1 ARG 59 1HH1 ARG 59 5.812 6.652 -0.009 471 2HH1 ARG 59 2HH1 ARG 59 5.616 7.324 1.542 472 1HH2 ARG 59 1HH2 ARG 59 7.482 4.826 3.191 473 2HH2 ARG 59 2HH2 ARG 59 6.586 6.275 3.457 474 H LYS 60 HN LYS 60 8.553 -0.586 -2.024 475 HA LYS 60 HA LYS 60 8.477 0.321 -4.809 476 1HB LYS 60 HB2 LYS 60 10.121 -1.366 -4.585 477 2HB LYS 60 HB1 LYS 60 9.045 -2.390 -3.634 478 1HG LYS 60 HG2 LYS 60 8.904 -3.411 -5.723 479 2HG LYS 60 HG1 LYS 60 7.592 -2.225 -5.811 480 1HD LYS 60 HD2 LYS 60 8.884 -2.202 -7.866 481 2HD LYS 60 HD1 LYS 60 9.057 -0.677 -7.000 482 1HE LYS 60 HE2 LYS 60 11.239 -1.212 -6.261 483 2HE LYS 60 HE1 LYS 60 11.061 -2.901 -6.650 484 1HZ LYS 60 HZ3 LYS 60 11.137 -0.743 -8.691 485 2HZ LYS 60 HZ2 LYS 60 12.429 -1.776 -8.271 486 3HZ LYS 60 HZ1 LYS 60 11.039 -2.397 -8.946 487 H GLN 61 HN GLN 61 6.412 0.698 -5.208 488 HA GLN 61 HA GLN 61 4.520 -1.041 -3.957 489 1HB GLN 61 HB2 GLN 61 3.014 0.770 -5.313 490 2HB GLN 61 HB1 GLN 61 3.395 0.832 -3.615 491 1HG GLN 61 HG2 GLN 61 4.895 2.235 -5.809 492 2HG GLN 61 HG1 GLN 61 3.628 2.888 -4.714 493 1HE2 GLN 61 1HE2 GLN 61 4.557 1.723 -2.381 494 2HE2 GLN 61 2HE2 GLN 61 6.028 2.497 -1.931 495 H MET 62 HN MET 62 4.518 -2.761 -4.957 496 HA MET 62 HA MET 62 4.490 -2.904 -7.811 497 1HB MET 62 HB2 MET 62 4.277 -4.984 -5.629 498 2HB MET 62 HB1 MET 62 4.199 -5.382 -7.346 499 1HG MET 62 HG2 MET 62 6.409 -4.576 -7.722 500 2HG MET 62 HG1 MET 62 6.481 -3.875 -6.113 501 1HE MET 62 HE1 MET 62 6.955 -5.207 -3.920 502 2HE MET 62 HE3 MET 62 5.449 -6.096 -4.164 503 3HE MET 62 HE2 MET 62 6.947 -6.958 -3.819 504 H ASP 63 HN ASP 63 2.800 -3.080 -9.028 505 HA ASP 63 HA ASP 63 0.309 -2.264 -7.903 506 1HB ASP 63 HB2 ASP 63 1.157 -1.239 -9.956 507 2HB ASP 63 HB1 ASP 63 1.137 -2.796 -10.761 508 H ASP 64 HN ASP 64 0.112 -4.175 -6.665 509 HA ASP 64 HA ASP 64 -1.642 -6.125 -7.887 510 1HB ASP 64 HB2 ASP 64 0.779 -6.988 -8.034 511 2HB ASP 64 HB1 ASP 64 0.786 -6.991 -6.281 512 H ILE 65 HN ILE 65 -2.355 -7.571 -5.866 513 HA ILE 65 HA ILE 65 -2.637 -5.732 -3.592 514 HB ILE 65 HB ILE 65 -4.843 -6.806 -3.153 515 1HG1 ILE 65 2HG1 ILE 65 -4.466 -7.960 -5.921 516 2HG1 ILE 65 1HG1 ILE 65 -4.440 -8.885 -4.424 517 1HG2 ILE 65 2HG2 ILE 65 -4.502 -5.316 -5.738 518 2HG2 ILE 65 1HG2 ILE 65 -6.053 -5.611 -4.941 519 3HG2 ILE 65 3HG2 ILE 65 -4.816 -4.668 -4.125 520 1HD1 ILE 65 2HD1 ILE 65 -6.783 -7.333 -5.490 521 2HD1 ILE 65 1HD1 ILE 65 -6.557 -9.078 -5.596 522 3HD1 ILE 65 3HD1 ILE 65 -6.755 -8.312 -4.022 523 H SER 66 HN SER 66 -1.520 -8.800 -4.565 524 HA SER 66 HA SER 66 -0.660 -10.562 -3.521 525 1HB SER 66 HB2 SER 66 -1.417 -9.242 -0.888 526 2HB SER 66 HB1 SER 66 -0.421 -10.677 -1.028 527 HG SER 66 HG SER 66 0.287 -8.164 -1.111 528 HA PRO 67 HA PRO 67 -4.086 -13.275 -3.219 529 1HB PRO 67 HB2 PRO 67 -3.127 -15.355 -1.707 530 2HB PRO 67 HB1 PRO 67 -2.717 -15.109 -3.405 531 1HG PRO 67 HG2 PRO 67 -1.157 -14.417 -0.960 532 2HG PRO 67 HG1 PRO 67 -0.588 -15.072 -2.502 533 1HD PRO 67 HD2 PRO 67 -0.324 -12.464 -1.849 534 2HD PRO 67 HD1 PRO 67 -0.560 -12.985 -3.513 535 H LEU 68 HN LEU 68 -2.752 -11.977 -0.409 536 HA LEU 68 HA LEU 68 -4.263 -13.175 1.640 537 1HB LEU 68 HB2 LEU 68 -2.140 -11.571 1.635 538 2HB LEU 68 HB1 LEU 68 -3.354 -10.333 1.841 539 HG LEU 68 HG LEU 68 -2.341 -10.963 3.977 540 1HD1 LEU 68 1HD1 LEU 68 -4.681 -10.233 4.023 541 2HD1 LEU 68 3HD1 LEU 68 -5.189 -11.918 3.863 542 3HD1 LEU 68 2HD1 LEU 68 -4.313 -11.396 5.297 543 1HD2 LEU 68 3HD2 LEU 68 -1.734 -13.250 3.424 544 2HD2 LEU 68 2HD2 LEU 68 -2.658 -13.191 4.926 545 3HD2 LEU 68 1HD2 LEU 68 -3.431 -13.723 3.439 546 H SER 69 HN SER 69 -4.912 -10.428 -0.500 547 HA SER 69 HA SER 69 -7.088 -9.296 0.764 548 1HB SER 69 HB2 SER 69 -6.704 -9.617 -2.195 549 2HB SER 69 HB1 SER 69 -7.447 -8.267 -1.330 550 HG SER 69 HG SER 69 -5.444 -7.752 -0.473 551 H LYS 70 HN LYS 70 -6.825 -12.222 -1.104 552 HA LYS 70 HA LYS 70 -9.676 -12.426 -1.526 553 1HB LYS 70 HB2 LYS 70 -7.472 -14.408 -2.172 554 2HB LYS 70 HB1 LYS 70 -9.157 -14.612 -2.598 555 1HG LYS 70 HG2 LYS 70 -8.035 -13.925 -4.570 556 2HG LYS 70 HG1 LYS 70 -8.933 -12.518 -4.007 557 1HD LYS 70 HD2 LYS 70 -6.897 -11.607 -3.028 558 2HD LYS 70 HD1 LYS 70 -6.004 -13.035 -3.536 559 1HE LYS 70 HE2 LYS 70 -7.334 -11.012 -5.342 560 2HE LYS 70 HE1 LYS 70 -5.605 -11.149 -5.023 561 1HZ LYS 70 HZ1 LYS 70 -5.723 -13.413 -6.050 562 2HZ LYS 70 HZ3 LYS 70 -7.319 -13.083 -6.504 563 3HZ LYS 70 HZ2 LYS 70 -6.072 -12.168 -7.103 564 H VAL 71 HN VAL 71 -7.457 -13.222 0.909 565 HA VAL 71 HA VAL 71 -9.020 -15.508 1.745 566 HB VAL 71 HB VAL 71 -7.315 -16.132 3.255 567 1HG1 VAL 71 3HG1 VAL 71 -6.022 -14.852 0.951 568 2HG1 VAL 71 2HG1 VAL 71 -5.243 -16.071 1.979 569 3HG1 VAL 71 1HG1 VAL 71 -6.671 -16.493 1.001 570 1HG2 VAL 71 3HG2 VAL 71 -6.946 -14.004 4.405 571 2HG2 VAL 71 2HG2 VAL 71 -5.418 -14.761 3.938 572 3HG2 VAL 71 1HG2 VAL 71 -6.075 -13.419 2.990 573 H ASN 72 HN ASN 72 -8.186 -12.295 2.928 574 HA ASN 72 HA ASN 72 -10.662 -12.346 4.509 575 1HB ASN 72 HB2 ASN 72 -8.796 -13.393 5.919 576 2HB ASN 72 HB1 ASN 72 -8.087 -11.785 5.994 577 1HD2 ASN 72 1HD2 ASN 72 -8.364 -11.710 8.244 578 2HD2 ASN 72 2HD2 ASN 72 -9.906 -11.491 8.969 579 H GLY 73 HN GLY 73 -9.475 -10.763 2.315 580 1HA GLY 73 HA1 GLY 73 -9.110 -8.539 1.751 581 2HA GLY 73 HA2 GLY 73 -9.129 -8.132 3.467 582 H TYR 74 HN TYR 74 -10.560 -6.336 3.006 583 HA TYR 74 HA TYR 74 -13.172 -6.661 1.980 584 1HB TYR 74 HB2 TYR 74 -12.661 -6.577 4.950 585 2HB TYR 74 HB1 TYR 74 -14.079 -5.832 4.235 586 HD1 TYR 74 HD1 TYR 74 -13.002 -8.639 5.879 587 HD2 TYR 74 HD2 TYR 74 -15.278 -7.542 2.502 588 HE1 TYR 74 HE1 TYR 74 -14.204 -10.752 6.019 589 HE2 TYR 74 HE2 TYR 74 -16.486 -9.617 2.583 590 HH TYR 74 HH TYR 74 -16.216 -11.874 3.508 591 H ILE 75 HN ILE 75 -13.274 -4.987 0.978 592 HA ILE 75 HA ILE 75 -11.929 -2.571 1.729 593 HB ILE 75 HB ILE 75 -14.038 -3.273 -0.225 594 1HG1 ILE 75 2HG1 ILE 75 -11.207 -2.475 -0.618 595 2HG1 ILE 75 1HG1 ILE 75 -11.782 -4.135 -0.551 596 1HG2 ILE 75 2HG2 ILE 75 -12.596 -0.585 0.083 597 2HG2 ILE 75 1HG2 ILE 75 -13.660 -0.973 -1.270 598 3HG2 ILE 75 3HG2 ILE 75 -14.313 -0.859 0.366 599 1HD1 ILE 75 3HD1 ILE 75 -13.154 -3.667 -2.629 600 2HD1 ILE 75 2HD1 ILE 75 -12.487 -2.053 -2.671 601 3HD1 ILE 75 1HD1 ILE 75 -11.432 -3.438 -2.905 602 H GLY 76 HN GLY 76 -12.594 -1.478 3.324 603 1HA GLY 76 HA1 GLY 76 -13.925 -1.612 5.335 604 2HA GLY 76 HA2 GLY 76 -15.327 -1.846 4.300 605 H VAL 77 HN VAL 77 -16.454 -0.249 3.926 606 HA VAL 77 HA VAL 77 -15.203 2.353 4.148 607 HB VAL 77 HB VAL 77 -17.590 1.593 2.524 608 1HG1 VAL 77 1HG1 VAL 77 -16.183 4.234 2.761 609 2HG1 VAL 77 3HG1 VAL 77 -17.422 3.851 1.565 610 3HG1 VAL 77 2HG1 VAL 77 -17.824 3.848 3.287 611 1HG2 VAL 77 2HG2 VAL 77 -14.762 2.186 1.776 612 2HG2 VAL 77 1HG2 VAL 77 -15.655 0.715 1.475 613 3HG2 VAL 77 3HG2 VAL 77 -16.060 2.190 0.580 614 H SER 78 HN SER 78 -15.869 3.670 5.546 615 HA SER 78 HA SER 78 -17.937 2.741 7.390 616 1HB SER 78 HB2 SER 78 -15.983 5.024 7.732 617 2HB SER 78 HB1 SER 78 -16.909 4.192 8.982 618 HG SER 78 HG SER 78 -15.471 2.431 7.557 619 H ASP 79 HN ASP 79 -19.251 4.738 8.347 620 HA ASP 79 HA ASP 79 -20.967 5.577 6.346 621 1HB ASP 79 HB2 ASP 79 -21.683 5.463 8.640 622 2HB ASP 79 HB1 ASP 79 -20.603 6.783 9.077 623 H ASN 80 HN ASN 80 -18.141 7.253 7.499 624 HA ASN 80 HA ASN 80 -18.839 9.695 6.106 625 1HB ASN 80 HB2 ASN 80 -16.319 8.845 7.533 626 2HB ASN 80 HB1 ASN 80 -16.424 10.369 6.651 627 1HD2 ASN 80 1HD2 ASN 80 -18.639 8.699 8.777 628 2HD2 ASN 80 2HD2 ASN 80 -18.744 9.965 9.957 629 H GLY 81 HN GLY 81 -18.326 6.926 4.795 630 1HA GLY 81 HA1 GLY 81 -17.372 7.925 2.353 631 2HA GLY 81 HA2 GLY 81 -17.711 6.245 2.756 632 H VAL 82 HN VAL 82 -16.087 6.117 4.928 633 HA VAL 82 HA VAL 82 -13.412 6.866 4.224 634 HB VAL 82 HB VAL 82 -14.252 4.863 6.346 635 1HG1 VAL 82 3HG1 VAL 82 -11.872 6.697 6.158 636 2HG1 VAL 82 2HG1 VAL 82 -12.236 5.626 7.509 637 3HG1 VAL 82 1HG1 VAL 82 -11.867 4.951 5.922 638 1HG2 VAL 82 3HG2 VAL 82 -15.594 6.914 6.627 639 2HG2 VAL 82 2HG2 VAL 82 -14.441 6.742 7.942 640 3HG2 VAL 82 1HG2 VAL 82 -14.127 7.873 6.628 641 H ILE 83 HN ILE 83 -12.500 5.915 2.636 642 HA ILE 83 HA ILE 83 -13.352 3.404 1.488 643 HB ILE 83 HB ILE 83 -11.274 5.367 0.392 644 1HG1 ILE 83 2HG1 ILE 83 -13.362 6.511 0.687 645 2HG1 ILE 83 1HG1 ILE 83 -13.175 6.162 -1.029 646 1HG2 ILE 83 2HG2 ILE 83 -12.891 3.225 -1.037 647 2HG2 ILE 83 1HG2 ILE 83 -11.788 4.360 -1.811 648 3HG2 ILE 83 3HG2 ILE 83 -11.164 3.139 -0.698 649 1HD1 ILE 83 1HD1 ILE 83 -14.821 4.607 0.927 650 2HD1 ILE 83 3HD1 ILE 83 -15.462 5.740 -0.271 651 3HD1 ILE 83 2HD1 ILE 83 -14.666 4.241 -0.791 652 H SER 84 HN SER 84 -12.237 2.711 3.753 653 HA SER 84 HA SER 84 -9.310 2.292 3.284 654 1HB SER 84 HB2 SER 84 -10.856 2.009 5.851 655 2HB SER 84 HB1 SER 84 -9.099 2.124 5.640 656 HG SER 84 HG SER 84 -10.753 4.055 4.599 657 H THR 85 HN THR 85 -8.444 0.109 3.422 658 HA THR 85 HA THR 85 -10.555 -1.865 3.330 659 HB THR 85 HB THR 85 -8.835 -3.459 2.587 660 HG1 THR 85 HG1 THR 85 -6.697 -2.515 2.222 661 1HG2 THR 85 3HG2 THR 85 -8.627 -0.788 1.197 662 2HG2 THR 85 2HG2 THR 85 -8.121 -2.321 0.500 663 3HG2 THR 85 1HG2 THR 85 -9.824 -2.036 0.876 664 H PHE 86 HN PHE 86 -10.589 -3.671 4.725 665 HA PHE 86 HA PHE 86 -9.145 -3.240 7.237 666 1HB PHE 86 HB2 PHE 86 -12.017 -4.049 6.817 667 2HB PHE 86 HB1 PHE 86 -11.173 -4.276 8.334 668 HD1 PHE 86 HD1 PHE 86 -11.652 -1.541 5.890 669 HD2 PHE 86 HD2 PHE 86 -11.685 -2.772 9.919 670 HE1 PHE 86 HE1 PHE 86 -12.431 0.728 6.561 671 HE2 PHE 86 HE2 PHE 86 -12.440 -0.529 10.632 672 HZ PHE 86 HZ PHE 86 -12.816 1.225 8.942 673 H HIS 87 HN HIS 87 -8.775 -5.133 8.422 674 HA HIS 87 HA HIS 87 -8.572 -7.525 6.774 675 1HB HIS 87 HB2 HIS 87 -6.562 -6.735 8.062 676 2HB HIS 87 HB1 HIS 87 -7.473 -6.961 9.552 677 HD1 HIS 87 HD1 HIS 87 -5.445 -8.797 7.033 678 HD2 HIS 87 HD2 HIS 87 -7.914 -9.657 10.254 679 HE1 HIS 87 HE1 HIS 87 -5.069 -11.218 7.567 680 H GLY 88 HN GLY 88 -10.441 -8.523 6.780 681 1HA GLY 88 HA1 GLY 88 -11.720 -9.204 9.311 682 2HA GLY 88 HA2 GLY 88 -12.106 -9.873 7.726 683 H ARG 89 HN ARG 89 -14.298 -9.276 8.907 684 HA ARG 89 HA ARG 89 -15.670 -7.416 7.487 685 1HB ARG 89 HB2 ARG 89 -16.076 -8.788 10.054 686 2HB ARG 89 HB1 ARG 89 -17.161 -7.457 9.650 687 1HG ARG 89 HG2 ARG 89 -16.716 -9.597 7.662 688 2HG ARG 89 HG1 ARG 89 -17.842 -9.843 9.007 689 1HD ARG 89 HD2 ARG 89 -17.936 -7.457 7.136 690 2HD ARG 89 HD1 ARG 89 -18.921 -8.877 6.976 691 HE ARG 89 HE ARG 89 -19.879 -8.368 9.142 692 1HH1 ARG 89 1HH1 ARG 89 -18.139 -5.749 7.556 693 2HH1 ARG 89 2HH1 ARG 89 -19.048 -4.496 8.213 694 1HH2 ARG 89 1HH2 ARG 89 -21.178 -6.656 10.081 695 2HH2 ARG 89 2HH2 ARG 89 -20.872 -5.031 9.686 696 HA PRO 90 HA PRO 90 -14.115 -3.621 9.196 697 1HB PRO 90 HB2 PRO 90 -15.696 -1.994 7.652 698 2HB PRO 90 HB1 PRO 90 -14.158 -2.687 7.131 699 1HG PRO 90 HG2 PRO 90 -16.931 -3.553 6.531 700 2HG PRO 90 HG1 PRO 90 -15.522 -3.610 5.475 701 1HD PRO 90 HD2 PRO 90 -16.564 -5.724 6.769 702 2HD PRO 90 HD1 PRO 90 -14.857 -5.686 6.344 703 H GLU 91 HN GLU 91 -14.754 -3.331 11.116 704 HA GLU 91 HA GLU 91 -17.393 -2.197 11.615 705 1HB GLU 91 HB2 GLU 91 -17.538 -3.538 13.698 706 2HB GLU 91 HB1 GLU 91 -17.378 -4.593 12.311 707 1HG GLU 91 HG2 GLU 91 -14.972 -4.816 12.807 708 2HG GLU 91 HG1 GLU 91 -15.215 -3.844 14.255 709 HA PRO 92 HA PRO 92 -14.872 0.825 13.728 710 1HB PRO 92 HB2 PRO 92 -16.189 1.277 16.067 711 2HB PRO 92 HB1 PRO 92 -16.722 1.962 14.519 712 1HG PRO 92 HG2 PRO 92 -17.721 -0.402 16.033 713 2HG PRO 92 HG1 PRO 92 -18.641 0.779 15.090 714 1HD PRO 92 HD2 PRO 92 -18.008 -1.716 14.211 715 2HD PRO 92 HD1 PRO 92 -18.234 -0.335 13.101 716 H ALA 93 HN ALA 93 -15.570 -2.108 15.238 717 HA ALA 93 HA ALA 93 -13.628 -1.723 17.336 718 1HB ALA 93 HB2 ALA 93 -15.682 -2.954 17.793 719 2HB ALA 93 HB3 ALA 93 -14.252 -3.956 18.072 720 3HB ALA 93 HB1 ALA 93 -15.224 -4.178 16.609 721 H SER 94 HN SER 94 -13.481 -2.433 14.075 722 HA SER 94 HA SER 94 -11.106 -4.069 14.485 723 1HB SER 94 HB2 SER 94 -11.315 -4.548 12.042 724 2HB SER 94 HB1 SER 94 -12.643 -5.203 13.007 725 HG SER 94 HG SER 94 -13.142 -2.685 12.114 726 H GLU 95 HN GLU 95 -9.426 -3.571 12.621 727 HA GLU 95 HA GLU 95 -9.099 -0.667 12.713 728 1HB GLU 95 HB2 GLU 95 -7.004 -2.817 12.618 729 2HB GLU 95 HB1 GLU 95 -6.709 -1.085 12.673 730 1HG GLU 95 HG2 GLU 95 -7.714 -0.966 14.873 731 2HG GLU 95 HG1 GLU 95 -8.075 -2.693 14.811 732 HA PRO 96 HA PRO 96 -8.933 -0.891 8.211 733 1HB PRO 96 HB2 PRO 96 -7.672 1.768 8.502 734 2HB PRO 96 HB1 PRO 96 -9.128 1.320 7.610 735 1HG PRO 96 HG2 PRO 96 -9.241 2.743 9.882 736 2HG PRO 96 HG1 PRO 96 -10.493 1.573 9.435 737 1HD PRO 96 HD2 PRO 96 -8.268 1.316 11.392 738 2HD PRO 96 HD1 PRO 96 -9.940 0.714 11.488 739 H ILE 97 HN ILE 97 -7.241 -1.256 6.851 740 HA ILE 97 HA ILE 97 -4.688 -1.875 8.043 741 HB ILE 97 HB ILE 97 -5.574 -2.006 5.138 742 1HG1 ILE 97 2HG1 ILE 97 -5.629 -4.256 7.160 743 2HG1 ILE 97 1HG1 ILE 97 -7.026 -3.240 6.813 744 1HG2 ILE 97 2HG2 ILE 97 -3.144 -2.167 5.448 745 2HG2 ILE 97 1HG2 ILE 97 -3.370 -3.465 6.620 746 3HG2 ILE 97 3HG2 ILE 97 -3.816 -3.713 4.932 747 1HD1 ILE 97 3HD1 ILE 97 -5.596 -4.950 4.780 748 2HD1 ILE 97 2HD1 ILE 97 -7.122 -5.324 5.622 749 3HD1 ILE 97 1HD1 ILE 97 -7.038 -3.943 4.549 750 H GLN 98 HN GLN 98 -6.132 0.614 6.119 751 HA GLN 98 HA GLN 98 -4.070 2.497 6.506 752 1HB GLN 98 HB2 GLN 98 -3.238 2.739 4.290 753 2HB GLN 98 HB1 GLN 98 -3.344 0.994 4.412 754 1HG GLN 98 HG2 GLN 98 -5.340 2.817 3.050 755 2HG GLN 98 HG1 GLN 98 -4.158 1.783 2.261 756 1HE2 GLN 98 1HE2 GLN 98 -4.592 -0.454 3.978 757 2HE2 GLN 98 2HE2 GLN 98 -6.157 -1.083 3.543 758 H SER 99 HN SER 99 -5.009 4.476 4.919 759 HA SER 99 HA SER 99 -7.831 3.986 4.583 760 1HB SER 99 HB2 SER 99 -7.492 5.269 6.730 761 2HB SER 99 HB1 SER 99 -6.748 6.567 5.787 762 HG SER 99 HG SER 99 -9.373 5.594 5.757 763 H PHE 100 HN PHE 100 -8.621 4.835 2.676 764 HA PHE 100 HA PHE 100 -6.647 6.075 0.942 765 1HB PHE 100 HB2 PHE 100 -9.236 4.681 0.372 766 2HB PHE 100 HB1 PHE 100 -8.542 5.761 -0.824 767 HD1 PHE 100 HD1 PHE 100 -8.178 2.563 0.928 768 HD2 PHE 100 HD2 PHE 100 -6.552 5.147 -2.024 769 HE1 PHE 100 HE1 PHE 100 -6.801 0.718 0.072 770 HE2 PHE 100 HE2 PHE 100 -5.171 3.306 -2.885 771 HZ PHE 100 HZ PHE 100 -5.292 1.086 -1.837 772 H PHE 101 HN PHE 101 -10.178 6.648 1.332 773 HA PHE 101 HA PHE 101 -9.692 9.503 1.307 774 1HB PHE 101 HB2 PHE 101 -9.640 8.463 -1.091 775 2HB PHE 101 HB1 PHE 101 -11.364 8.244 -0.868 776 HD1 PHE 101 HD1 PHE 101 -8.680 10.777 -0.923 777 HD2 PHE 101 HD2 PHE 101 -12.840 10.009 -1.349 778 HE1 PHE 101 HE1 PHE 101 -9.006 13.049 -1.780 779 HE2 PHE 101 HE2 PHE 101 -13.170 12.293 -2.200 780 HZ PHE 101 HZ PHE 101 -11.254 13.808 -2.418 781 H GLN 102 HN GLN 102 -12.068 10.550 1.245 782 HA GLN 102 HA GLN 102 -14.017 8.778 2.447 783 1HB GLN 102 HB2 GLN 102 -13.002 11.356 3.541 784 2HB GLN 102 HB1 GLN 102 -14.687 10.922 3.801 785 1HG GLN 102 HG2 GLN 102 -14.045 8.881 4.839 786 2HG GLN 102 HG1 GLN 102 -12.342 9.170 4.570 787 1HE2 GLN 102 1HE2 GLN 102 -14.713 11.583 5.542 788 2HE2 GLN 102 2HE2 GLN 102 -14.082 11.850 7.110 789 H ILE 103 HN ILE 103 -16.093 9.107 1.951 790 HA ILE 103 HA ILE 103 -16.853 11.219 0.039 791 HB ILE 103 HB ILE 103 -17.799 9.618 -1.607 792 1HG1 ILE 103 2HG1 ILE 103 -16.711 7.441 0.199 793 2HG1 ILE 103 1HG1 ILE 103 -18.409 7.871 0.073 794 1HG2 ILE 103 2HG2 ILE 103 -15.474 10.243 -1.881 795 2HG2 ILE 103 1HG2 ILE 103 -14.982 8.839 -0.944 796 3HG2 ILE 103 3HG2 ILE 103 -15.804 8.620 -2.493 797 1HD1 ILE 103 2HD1 ILE 103 -18.383 7.275 -2.270 798 2HD1 ILE 103 1HD1 ILE 103 -16.686 6.798 -2.136 799 3HD1 ILE 103 3HD1 ILE 103 -17.935 5.915 -1.235 800 H ASP 104 HN ASP 104 -19.349 11.124 -0.318 801 HA ASP 104 HA ASP 104 -20.564 10.589 2.227 802 1HB ASP 104 HB2 ASP 104 -21.299 12.134 -0.144 803 2HB ASP 104 HB1 ASP 104 -22.644 11.262 0.578 804 H LEU 105 HN LEU 105 -21.297 8.702 2.798 805 HA LEU 105 HA LEU 105 -21.867 6.724 0.863 806 1HB LEU 105 HB2 LEU 105 -22.397 6.788 3.807 807 2HB LEU 105 HB1 LEU 105 -22.917 5.468 2.792 808 HG LEU 105 HG LEU 105 -20.183 6.216 3.682 809 1HD1 LEU 105 2HD1 LEU 105 -21.524 4.555 4.871 810 2HD1 LEU 105 1HD1 LEU 105 -21.702 3.638 3.407 811 3HD1 LEU 105 3HD1 LEU 105 -20.098 3.803 4.124 812 1HD2 LEU 105 3HD2 LEU 105 -20.809 4.611 1.191 813 2HD2 LEU 105 2HD2 LEU 105 -19.918 6.134 1.266 814 3HD2 LEU 105 1HD2 LEU 105 -19.237 4.684 1.982 815 H GLU 106 HN GLU 106 -23.662 9.067 2.553 816 HA GLU 106 HA GLU 106 -26.234 8.116 1.957 817 1HB GLU 106 HB2 GLU 106 -26.941 10.490 2.337 818 2HB GLU 106 HB1 GLU 106 -25.996 9.787 3.643 819 1HG GLU 106 HG2 GLU 106 -24.027 10.943 2.875 820 2HG GLU 106 HG1 GLU 106 -24.888 11.591 1.504 821 H ARG 107 HN ARG 107 -23.830 9.526 -0.061 822 HA ARG 107 HA ARG 107 -25.830 10.241 -2.050 823 1HB ARG 107 HB2 ARG 107 -24.337 11.733 -2.913 824 2HB ARG 107 HB1 ARG 107 -23.704 11.603 -1.281 825 1HG ARG 107 HG2 ARG 107 -22.029 10.023 -2.026 826 2HG ARG 107 HG1 ARG 107 -22.692 10.151 -3.664 827 1HD ARG 107 HD2 ARG 107 -21.360 12.352 -2.052 828 2HD ARG 107 HD1 ARG 107 -20.740 11.576 -3.494 829 HE ARG 107 HE ARG 107 -23.259 12.750 -3.949 830 1HH1 ARG 107 1HH1 ARG 107 -19.847 13.565 -3.572 831 2HH1 ARG 107 2HH1 ARG 107 -19.914 14.974 -4.528 832 1HH2 ARG 107 1HH2 ARG 107 -23.395 14.647 -5.226 833 2HH2 ARG 107 2HH2 ARG 107 -22.029 15.626 -5.522 834 H LEU 108 HN LEU 108 -23.699 7.747 -1.237 835 HA LEU 108 HA LEU 108 -23.306 6.395 -3.686 836 1HB LEU 108 HB2 LEU 108 -23.433 5.555 -0.879 837 2HB LEU 108 HB1 LEU 108 -23.894 4.313 -2.018 838 HG LEU 108 HG LEU 108 -21.537 4.060 -1.498 839 1HD1 LEU 108 1HD1 LEU 108 -22.245 3.517 -3.636 840 2HD1 LEU 108 3HD1 LEU 108 -21.834 5.133 -4.212 841 3HD1 LEU 108 2HD1 LEU 108 -20.569 4.077 -3.565 842 1HD2 LEU 108 2HD2 LEU 108 -21.344 6.899 -2.322 843 2HD2 LEU 108 1HD2 LEU 108 -21.151 6.145 -0.720 844 3HD2 LEU 108 3HD2 LEU 108 -19.978 5.778 -1.985 845 H GLU 109 HN GLU 109 -24.390 4.583 -4.595 846 HA GLU 109 HA GLU 109 -27.246 4.829 -4.610 847 1HB GLU 109 HB2 GLU 109 -25.469 2.833 -6.038 848 2HB GLU 109 HB1 GLU 109 -27.174 3.102 -6.362 849 1HG GLU 109 HG2 GLU 109 -26.646 5.394 -7.084 850 2HG GLU 109 HG1 GLU 109 -24.936 5.064 -6.813 851 H SER 110 HN SER 110 -27.339 4.356 -2.379 852 HA SER 110 HA SER 110 -27.567 3.150 -0.481 853 1HB SER 110 HB2 SER 110 -29.366 1.657 -2.341 854 2HB SER 110 HB1 SER 110 -29.584 1.853 -0.596 855 HG SER 110 HG SER 110 -30.205 3.877 -0.879 856 H HIS 111 HN HIS 111 -27.863 0.347 -2.653 857 HA HIS 111 HA HIS 111 -26.823 -1.434 -0.739 858 1HB HIS 111 HB2 HIS 111 -26.819 -3.125 -2.552 859 2HB HIS 111 HB1 HIS 111 -28.337 -2.232 -2.498 860 HD1 HIS 111 HD1 HIS 111 -25.257 -2.703 -4.651 861 HD2 HIS 111 HD2 HIS 111 -28.873 -0.646 -4.715 862 HE1 HIS 111 HE1 HIS 111 -25.461 -1.726 -6.940 863 H MET 112 HN MET 112 -25.266 0.417 -3.148 864 HA MET 112 HA MET 112 -22.831 -0.954 -3.346 865 1HB MET 112 HB2 MET 112 -23.648 1.880 -3.695 866 2HB MET 112 HB1 MET 112 -21.933 1.498 -3.639 867 1HG MET 112 HG2 MET 112 -23.920 0.289 -5.537 868 2HG MET 112 HG1 MET 112 -22.846 1.637 -5.917 869 1HE MET 112 HE1 MET 112 -20.191 1.460 -5.704 870 2HE MET 112 HE3 MET 112 -20.188 0.584 -4.173 871 3HE MET 112 HE2 MET 112 -19.302 -0.054 -5.556 872 H GLN 113 HN GLN 113 -23.786 1.632 -1.099 873 HA GLN 113 HA GLN 113 -21.253 1.580 0.148 874 1HB GLN 113 HB2 GLN 113 -22.340 2.975 1.891 875 2HB GLN 113 HB1 GLN 113 -22.370 3.671 0.267 876 1HG GLN 113 HG2 GLN 113 -24.580 3.716 0.274 877 2HG GLN 113 HG1 GLN 113 -24.583 2.036 0.855 878 1HE2 GLN 113 1HE2 GLN 113 -24.776 5.329 1.792 879 2HE2 GLN 113 2HE2 GLN 113 -25.211 5.041 3.444 880 H LYS 114 HN LYS 114 -24.268 0.029 0.691 881 HA LYS 114 HA LYS 114 -23.724 -0.873 3.311 882 1HB LYS 114 HB2 LYS 114 -25.602 -2.040 1.276 883 2HB LYS 114 HB1 LYS 114 -25.597 -2.406 2.997 884 1HG LYS 114 HG2 LYS 114 -26.060 -0.037 3.470 885 2HG LYS 114 HG1 LYS 114 -26.164 0.256 1.735 886 1HD LYS 114 HD2 LYS 114 -27.959 -1.469 1.641 887 2HD LYS 114 HD1 LYS 114 -27.845 -1.522 3.412 888 1HE LYS 114 HE2 LYS 114 -28.447 0.806 3.576 889 2HE LYS 114 HE1 LYS 114 -28.458 0.952 1.819 890 1HZ LYS 114 HZ3 LYS 114 -30.299 -0.734 3.417 891 2HZ LYS 114 HZ2 LYS 114 -30.674 0.757 2.733 892 3HZ LYS 114 HZ1 LYS 114 -30.327 -0.561 1.733 893 H ASN 115 HN ASN 115 -22.968 -2.130 0.144 894 HA ASN 115 HA ASN 115 -22.166 -4.696 1.050 895 1HB ASN 115 HB2 ASN 115 -22.710 -4.009 -1.403 896 2HB ASN 115 HB1 ASN 115 -21.135 -3.246 -1.404 897 1HD2 ASN 115 1HD2 ASN 115 -20.683 -4.593 -3.160 898 2HD2 ASN 115 2HD2 ASN 115 -20.181 -6.230 -2.917 899 H LEU 116 HN LEU 116 -20.716 -1.552 0.666 900 HA LEU 116 HA LEU 116 -18.004 -2.274 1.180 901 1HB LEU 116 HB2 LEU 116 -19.293 0.398 1.692 902 2HB LEU 116 HB1 LEU 116 -17.596 0.014 1.427 903 HG LEU 116 HG LEU 116 -19.688 -0.320 -0.716 904 1HD1 LEU 116 3HD1 LEU 116 -19.412 2.074 0.133 905 2HD1 LEU 116 2HD1 LEU 116 -17.759 1.949 -0.440 906 3HD1 LEU 116 1HD1 LEU 116 -19.073 1.790 -1.582 907 1HD2 LEU 116 1HD2 LEU 116 -17.620 -1.611 -0.990 908 2HD2 LEU 116 3HD2 LEU 116 -17.758 -0.333 -2.195 909 3HD2 LEU 116 2HD2 LEU 116 -16.678 -0.131 -0.814 910 H LEU 117 HN LEU 117 -20.728 -1.219 3.183 911 HA LEU 117 HA LEU 117 -19.525 -0.952 5.665 912 1HB LEU 117 HB2 LEU 117 -22.230 -2.177 5.104 913 2HB LEU 117 HB1 LEU 117 -21.693 -1.557 6.646 914 HG LEU 117 HG LEU 117 -22.216 0.051 4.153 915 1HD1 LEU 117 1HD1 LEU 117 -24.263 -0.724 5.250 916 2HD1 LEU 117 3HD1 LEU 117 -23.678 -0.070 6.781 917 3HD1 LEU 117 2HD1 LEU 117 -24.056 1.013 5.443 918 1HD2 LEU 117 2HD2 LEU 117 -21.332 0.954 6.883 919 2HD2 LEU 117 1HD2 LEU 117 -20.398 1.008 5.376 920 3HD2 LEU 117 3HD2 LEU 117 -21.840 2.009 5.555 921 H LYS 118 HN LYS 118 -20.715 -3.869 4.050 922 HA LYS 118 HA LYS 118 -20.002 -5.722 6.120 923 1HB LYS 118 HB2 LYS 118 -20.450 -6.128 3.184 924 2HB LYS 118 HB1 LYS 118 -20.437 -7.388 4.410 925 1HG LYS 118 HG2 LYS 118 -22.424 -6.704 5.305 926 2HG LYS 118 HG1 LYS 118 -22.284 -5.104 4.580 927 1HD LYS 118 HD2 LYS 118 -22.545 -6.131 2.350 928 2HD LYS 118 HD1 LYS 118 -22.675 -7.708 3.120 929 1HE LYS 118 HE2 LYS 118 -24.685 -6.862 4.310 930 2HE LYS 118 HE1 LYS 118 -24.571 -5.376 3.381 931 1HZ LYS 118 HZ2 LYS 118 -24.931 -8.074 2.186 932 2HZ LYS 118 HZ1 LYS 118 -26.172 -6.970 2.437 933 3HZ LYS 118 HZ3 LYS 118 -24.939 -6.616 1.354 934 H GLY 119 HN GLY 119 -18.635 -4.449 3.233 935 1HA GLY 119 HA1 GLY 119 -16.095 -5.673 3.910 936 2HA GLY 119 HA2 GLY 119 -16.291 -4.136 3.062 937 H ILE 120 HN ILE 120 -15.474 -4.555 1.142 938 HA ILE 120 HA ILE 120 -16.785 -6.576 -0.489 939 HB ILE 120 HB ILE 120 -14.410 -4.862 -1.301 940 1HG1 ILE 120 2HG1 ILE 120 -16.113 -3.307 -0.677 941 2HG1 ILE 120 1HG1 ILE 120 -16.169 -3.426 -2.437 942 1HG2 ILE 120 3HG2 ILE 120 -14.801 -6.788 -2.744 943 2HG2 ILE 120 2HG2 ILE 120 -16.483 -6.289 -2.957 944 3HG2 ILE 120 1HG2 ILE 120 -15.181 -5.284 -3.592 945 1HD1 ILE 120 2HD1 ILE 120 -18.046 -4.987 -2.229 946 2HD1 ILE 120 1HD1 ILE 120 -17.911 -4.812 -0.482 947 3HD1 ILE 120 3HD1 ILE 120 -18.431 -3.435 -1.460 948 HA PRO 121 HA PRO 121 -13.751 -9.615 0.830 949 1HB PRO 121 HB2 PRO 121 -14.538 -11.630 -0.811 950 2HB PRO 121 HB1 PRO 121 -15.463 -11.148 0.616 951 1HG PRO 121 HG2 PRO 121 -15.878 -10.365 -2.252 952 2HG PRO 121 HG1 PRO 121 -17.082 -10.934 -1.081 953 1HD PRO 121 HD2 PRO 121 -16.791 -8.338 -1.642 954 2HD PRO 121 HD1 PRO 121 -17.169 -8.888 0.006 955 H PHE 122 HN PHE 122 -13.417 -7.765 -1.482 956 HA PHE 122 HA PHE 122 -11.913 -7.166 -3.017 957 1HB PHE 122 HB2 PHE 122 -10.405 -9.285 -1.636 958 2HB PHE 122 HB1 PHE 122 -9.807 -8.728 -3.197 959 HD1 PHE 122 HD1 PHE 122 -8.521 -6.817 -3.332 960 HD2 PHE 122 HD2 PHE 122 -10.836 -7.505 0.158 961 HE1 PHE 122 HE1 PHE 122 -7.413 -4.928 -2.233 962 HE2 PHE 122 HE2 PHE 122 -9.733 -5.609 1.265 963 HZ PHE 122 HZ PHE 122 -8.014 -4.323 0.072 964 H ARG 123 HN ARG 123 -10.744 -7.654 -4.872 965 HA ARG 123 HA ARG 123 -11.378 -9.876 -6.443 966 1HB ARG 123 HB2 ARG 123 -12.425 -7.099 -7.139 967 2HB ARG 123 HB1 ARG 123 -12.173 -8.352 -8.344 968 1HG ARG 123 HG2 ARG 123 -13.796 -9.776 -7.034 969 2HG ARG 123 HG1 ARG 123 -14.162 -8.330 -6.095 970 1HD ARG 123 HD2 ARG 123 -14.424 -8.552 -9.093 971 2HD ARG 123 HD1 ARG 123 -15.752 -8.740 -7.958 972 HE ARG 123 HE ARG 123 -15.198 -6.370 -7.285 973 1HH1 ARG 123 1HH1 ARG 123 -14.459 -7.521 -10.591 974 2HH1 ARG 123 2HH1 ARG 123 -14.870 -6.062 -11.331 975 1HH2 ARG 123 1HH2 ARG 123 -15.683 -4.355 -8.304 976 2HH2 ARG 123 2HH2 ARG 123 -15.529 -4.124 -9.982 977 H THR 124 HN THR 124 -10.248 -8.897 -8.782 978 HA THR 124 HA THR 124 -7.529 -9.081 -7.919 979 HB THR 124 HB THR 124 -8.572 -8.573 -10.741 980 HG1 THR 124 HG1 THR 124 -9.664 -10.315 -10.213 981 1HG2 THR 124 1HG2 THR 124 -6.127 -10.045 -9.714 982 2HG2 THR 124 3HG2 THR 124 -6.626 -9.915 -11.405 983 3HG2 THR 124 2HG2 THR 124 -6.157 -8.470 -10.520 984 H LYS 125 HN LYS 125 -5.913 -7.404 -9.253 985 HA LYS 125 HA LYS 125 -6.165 -5.106 -7.781 986 1HB LYS 125 HB2 LYS 125 -4.041 -5.720 -8.199 987 2HB LYS 125 HB1 LYS 125 -4.350 -6.174 -9.847 988 1HG LYS 125 HG2 LYS 125 -4.624 -3.318 -9.396 989 2HG LYS 125 HG1 LYS 125 -3.000 -3.926 -9.025 990 1HD LYS 125 HD2 LYS 125 -2.561 -4.056 -11.188 991 2HD LYS 125 HD1 LYS 125 -3.894 -5.170 -11.423 992 1HE LYS 125 HE2 LYS 125 -4.280 -3.445 -12.878 993 2HE LYS 125 HE1 LYS 125 -5.367 -3.174 -11.537 994 1HZ LYS 125 HZ2 LYS 125 -2.759 -1.824 -11.409 995 2HZ LYS 125 HZ1 LYS 125 -3.963 -1.188 -12.433 996 3HZ LYS 125 HZ3 LYS 125 -4.265 -1.341 -10.805 997 H ALA 126 HN ALA 126 -7.029 -5.760 -11.127 998 HA ALA 126 HA ALA 126 -7.517 -2.991 -11.741 999 1HB ALA 126 HB1 ALA 126 -8.320 -5.504 -13.181 1000 2HB ALA 126 HB3 ALA 126 -8.426 -3.871 -13.844 1001 3HB ALA 126 HB2 ALA 126 -6.848 -4.579 -13.468 1002 H GLU 127 HN GLU 127 -9.235 -5.647 -10.462 1003 HA GLU 127 HA GLU 127 -11.857 -4.597 -10.962 1004 1HB GLU 127 HB2 GLU 127 -11.057 -6.676 -9.001 1005 2HB GLU 127 HB1 GLU 127 -12.631 -6.442 -9.745 1006 1HG GLU 127 HG2 GLU 127 -11.298 -6.929 -11.973 1007 2HG GLU 127 HG1 GLU 127 -10.137 -7.511 -10.857 1008 H PHE 128 HN PHE 128 -9.534 -4.682 -8.446 1009 HA PHE 128 HA PHE 128 -11.027 -3.583 -6.331 1010 1HB PHE 128 HB2 PHE 128 -9.020 -4.773 -5.941 1011 2HB PHE 128 HB1 PHE 128 -8.111 -3.774 -7.025 1012 HD1 PHE 128 HD1 PHE 128 -7.426 -1.499 -6.445 1013 HD2 PHE 128 HD2 PHE 128 -9.504 -3.931 -3.655 1014 HE1 PHE 128 HE1 PHE 128 -6.812 0.065 -4.636 1015 HE2 PHE 128 HE2 PHE 128 -8.907 -2.374 -1.845 1016 HZ PHE 128 HZ PHE 128 -7.563 -0.374 -2.335 1017 H GLU 129 HN GLU 129 -8.887 -2.068 -8.758 1018 HA GLU 129 HA GLU 129 -9.641 0.425 -7.749 1019 1HB GLU 129 HB2 GLU 129 -8.524 1.362 -9.877 1020 2HB GLU 129 HB1 GLU 129 -7.561 0.547 -8.656 1021 1HG GLU 129 HG2 GLU 129 -7.624 -1.479 -9.994 1022 2HG GLU 129 HG1 GLU 129 -8.497 -0.607 -11.249 1023 H ASP 130 HN ASP 130 -11.096 -1.650 -9.848 1024 HA ASP 130 HA ASP 130 -12.876 0.042 -11.283 1025 1HB ASP 130 HB2 ASP 130 -12.606 -2.334 -11.786 1026 2HB ASP 130 HB1 ASP 130 -13.263 -2.745 -10.229 1027 H VAL 131 HN VAL 131 -13.141 -1.541 -8.190 1028 HA VAL 131 HA VAL 131 -15.638 -0.230 -7.609 1029 HB VAL 131 HB VAL 131 -15.289 -2.417 -6.524 1030 1HG1 VAL 131 2HG1 VAL 131 -12.903 -2.373 -6.430 1031 2HG1 VAL 131 1HG1 VAL 131 -12.970 -1.235 -5.093 1032 3HG1 VAL 131 3HG1 VAL 131 -13.632 -2.861 -4.890 1033 1HG2 VAL 131 2HG2 VAL 131 -15.206 -0.230 -4.491 1034 2HG2 VAL 131 1HG2 VAL 131 -16.666 -0.874 -5.262 1035 3HG2 VAL 131 3HG2 VAL 131 -15.692 -1.905 -4.194 1036 H ILE 132 HN ILE 132 -12.301 0.462 -6.917 1037 HA ILE 132 HA ILE 132 -12.823 2.586 -5.138 1038 HB ILE 132 HB ILE 132 -10.448 1.462 -6.413 1039 1HG1 ILE 132 2HG1 ILE 132 -9.439 1.882 -4.201 1040 2HG1 ILE 132 1HG1 ILE 132 -10.874 2.780 -3.732 1041 1HG2 ILE 132 2HG2 ILE 132 -10.220 3.697 -7.327 1042 2HG2 ILE 132 1HG2 ILE 132 -10.326 4.384 -5.713 1043 3HG2 ILE 132 3HG2 ILE 132 -8.945 3.361 -6.144 1044 1HD1 ILE 132 2HD1 ILE 132 -12.204 0.739 -3.972 1045 2HD1 ILE 132 1HD1 ILE 132 -10.750 -0.151 -4.413 1046 3HD1 ILE 132 3HD1 ILE 132 -10.899 0.546 -2.796 1047 H GLU 133 HN GLU 133 -12.550 2.517 -8.638 1048 HA GLU 133 HA GLU 133 -12.495 5.313 -8.958 1049 1HB GLU 133 HB2 GLU 133 -13.185 4.957 -11.258 1050 2HB GLU 133 HB1 GLU 133 -11.863 3.893 -10.807 1051 1HG GLU 133 HG2 GLU 133 -13.387 2.056 -10.565 1052 2HG GLU 133 HG1 GLU 133 -14.747 3.124 -10.883 1053 H HIS 134 HN HIS 134 -15.030 3.103 -8.346 1054 HA HIS 134 HA HIS 134 -17.212 4.800 -8.982 1055 1HB HIS 134 HB2 HIS 134 -17.233 2.260 -8.614 1056 2HB HIS 134 HB1 HIS 134 -17.135 2.638 -6.897 1057 HD1 HIS 134 HD1 HIS 134 -19.614 2.332 -9.629 1058 HD2 HIS 134 HD2 HIS 134 -19.382 3.829 -5.775 1059 HE1 HIS 134 HE1 HIS 134 -22.000 2.650 -8.862 1060 H MET 135 HN MET 135 -15.351 4.078 -6.103 1061 HA MET 135 HA MET 135 -16.692 5.717 -4.227 1062 1HB MET 135 HB2 MET 135 -13.742 5.080 -4.276 1063 2HB MET 135 HB1 MET 135 -14.682 5.568 -2.885 1064 1HG MET 135 HG2 MET 135 -14.983 2.962 -4.373 1065 2HG MET 135 HG1 MET 135 -14.078 3.169 -2.890 1066 1HE MET 135 HE1 MET 135 -17.469 2.398 -4.509 1067 2HE MET 135 HE3 MET 135 -18.660 2.902 -3.317 1068 3HE MET 135 HE2 MET 135 -17.781 4.113 -4.238 1069 H LYS 136 HN LYS 136 -13.832 6.364 -6.199 1070 HA LYS 136 HA LYS 136 -13.659 9.053 -5.343 1071 1HB LYS 136 HB2 LYS 136 -11.986 9.370 -7.194 1072 2HB LYS 136 HB1 LYS 136 -11.614 8.114 -6.024 1073 1HG LYS 136 HG2 LYS 136 -12.330 6.447 -7.496 1074 2HG LYS 136 HG1 LYS 136 -12.859 7.621 -8.707 1075 1HD LYS 136 HD2 LYS 136 -10.684 6.640 -9.306 1076 2HD LYS 136 HD1 LYS 136 -10.521 8.359 -8.959 1077 1HE LYS 136 HE2 LYS 136 -9.680 7.875 -6.764 1078 2HE LYS 136 HE1 LYS 136 -9.947 6.155 -6.991 1079 1HZ LYS 136 HZ1 LYS 136 -8.107 7.827 -8.620 1080 2HZ LYS 136 HZ3 LYS 136 -7.602 6.866 -7.343 1081 3HZ LYS 136 HZ2 LYS 136 -8.245 6.145 -8.713 1082 H THR 137 HN THR 137 -15.630 7.583 -7.704 1083 HA THR 137 HA THR 137 -16.016 9.886 -9.293 1084 HB THR 137 HB THR 137 -16.810 7.273 -9.569 1085 HG1 THR 137 HG1 THR 137 -17.388 7.976 -11.456 1086 1HG2 THR 137 3HG2 THR 137 -19.341 8.803 -8.896 1087 2HG2 THR 137 2HG2 THR 137 -19.284 7.193 -9.619 1088 3HG2 THR 137 1HG2 THR 137 -18.662 7.451 -7.987 1089 H TYR 138 HN TYR 138 -17.127 8.904 -6.152 1090 HA TYR 138 HA TYR 138 -19.126 10.967 -6.068 1091 1HB TYR 138 HB2 TYR 138 -18.113 8.995 -4.001 1092 2HB TYR 138 HB1 TYR 138 -19.373 10.180 -3.660 1093 HD1 TYR 138 HD1 TYR 138 -18.812 6.834 -4.728 1094 HD2 TYR 138 HD2 TYR 138 -21.268 10.225 -5.396 1095 HE1 TYR 138 HE1 TYR 138 -20.422 5.422 -5.825 1096 HE2 TYR 138 HE2 TYR 138 -22.970 8.762 -6.491 1097 HH TYR 138 HH TYR 138 -22.581 5.280 -6.497 1098 H SER 139 HN SER 139 -16.160 10.149 -4.350 1099 HA SER 139 HA SER 139 -14.592 11.307 -3.313 1100 1HB SER 139 HB2 SER 139 -13.624 13.192 -4.618 1101 2HB SER 139 HB1 SER 139 -13.852 11.708 -5.536 1102 HG SER 139 HG SER 139 -16.053 13.210 -5.668 1103 H GLY 140 HN GLY 140 -17.484 12.205 -2.590 1104 1HA GLY 140 HA1 GLY 140 -17.760 14.774 -2.180 1105 2HA GLY 140 HA2 GLY 140 -16.666 14.253 -0.884 No H/Q in entry = 1105 Start of MODEL 9 1 H1 ALA 1 HT2 ALA 1 29.021 10.736 1.712 2 H2 ALA 1 HT1 ALA 1 27.687 10.251 0.855 3 H3 ALA 1 HT3 ALA 1 28.100 9.432 2.305 4 HA ALA 1 HA ALA 1 30.092 8.623 1.351 5 1HB ALA 1 HB3 ALA 1 27.835 8.272 -0.627 6 2HB ALA 1 HB2 ALA 1 29.255 7.237 -0.482 7 3HB ALA 1 HB1 ALA 1 28.080 7.311 0.832 8 H GLU 2 HN GLU 2 31.662 9.979 0.772 9 HA GLU 2 HA GLU 2 31.407 11.303 -1.823 10 1HB GLU 2 HB2 GLU 2 33.229 12.095 0.474 11 2HB GLU 2 HB1 GLU 2 33.096 12.911 -1.064 12 1HG GLU 2 HG2 GLU 2 31.939 14.266 0.455 13 2HG GLU 2 HG1 GLU 2 30.684 13.406 -0.429 14 H VAL 3 HN VAL 3 33.110 11.098 -3.224 15 HA VAL 3 HA VAL 3 34.779 10.095 -4.350 16 HB VAL 3 HB VAL 3 36.089 9.491 -1.670 17 1HG1 VAL 3 1HG1 VAL 3 37.278 10.102 -4.363 18 2HG1 VAL 3 3HG1 VAL 3 38.197 10.044 -2.868 19 3HG1 VAL 3 2HG1 VAL 3 37.405 8.589 -3.440 20 1HG2 VAL 3 1HG2 VAL 3 35.298 11.794 -1.609 21 2HG2 VAL 3 3HG2 VAL 3 37.066 11.737 -1.649 22 3HG2 VAL 3 2HG2 VAL 3 36.149 12.136 -3.111 23 H GLU 4 HN GLU 4 36.144 7.829 -4.217 24 HA GLU 4 HA GLU 4 34.146 5.886 -3.569 25 1HB GLU 4 HB2 GLU 4 35.387 4.348 -5.065 26 2HB GLU 4 HB1 GLU 4 34.873 5.852 -5.824 27 1HG GLU 4 HG2 GLU 4 37.103 6.737 -5.697 28 2HG GLU 4 HG1 GLU 4 37.661 5.272 -4.883 29 H HIS 5 HN HIS 5 34.420 4.517 -2.006 30 HA HIS 5 HA HIS 5 36.992 4.438 -0.651 31 1HB HIS 5 HB2 HIS 5 35.606 4.286 1.512 32 2HB HIS 5 HB1 HIS 5 35.879 5.861 0.793 33 HD1 HIS 5 HD1 HIS 5 33.068 3.346 1.497 34 HD2 HIS 5 HD2 HIS 5 33.585 7.136 -0.166 35 HE1 HIS 5 HE1 HIS 5 30.801 4.344 1.305 36 H TYR 6 HN TYR 6 37.220 2.658 0.809 37 HA TYR 6 HA TYR 6 36.371 0.243 -0.522 38 1HB TYR 6 HB2 TYR 6 38.333 0.714 1.725 39 2HB TYR 6 HB1 TYR 6 38.106 -0.786 0.833 40 HD1 TYR 6 HD1 TYR 6 39.153 -1.131 -1.261 41 HD2 TYR 6 HD2 TYR 6 39.218 2.714 0.540 42 HE1 TYR 6 HE1 TYR 6 40.779 -0.390 -2.938 43 HE2 TYR 6 HE2 TYR 6 40.867 3.475 -1.141 44 HH TYR 6 HH TYR 6 42.518 2.498 -2.638 45 H GLU 7 HN GLU 7 35.745 2.100 2.242 46 HA GLU 7 HA GLU 7 34.701 0.103 3.915 47 1HB GLU 7 HB2 GLU 7 34.174 3.058 3.773 48 2HB GLU 7 HB1 GLU 7 33.490 2.014 5.011 49 1HG GLU 7 HG2 GLU 7 36.398 2.454 4.467 50 2HG GLU 7 HG1 GLU 7 35.489 3.141 5.814 51 HA PRO 8 HA PRO 8 30.944 -0.391 1.585 52 1HB PRO 8 HB2 PRO 8 29.999 -2.349 3.353 53 2HB PRO 8 HB1 PRO 8 30.790 -2.629 1.809 54 1HG PRO 8 HG2 PRO 8 31.863 -3.269 4.349 55 2HG PRO 8 HG1 PRO 8 32.725 -3.267 2.807 56 1HD PRO 8 HD2 PRO 8 32.743 -1.279 4.980 57 2HD PRO 8 HD1 PRO 8 33.961 -1.647 3.735 58 H LEU 9 HN LEU 9 28.668 -0.394 2.151 59 HA LEU 9 HA LEU 9 28.141 1.242 4.568 60 1HB LEU 9 HB2 LEU 9 27.887 2.120 1.993 61 2HB LEU 9 HB1 LEU 9 26.362 1.341 2.198 62 HG LEU 9 HG LEU 9 26.185 3.754 2.590 63 1HD1 LEU 9 2HD1 LEU 9 25.637 2.091 5.036 64 2HD1 LEU 9 1HD1 LEU 9 24.993 3.706 4.729 65 3HD1 LEU 9 3HD1 LEU 9 24.558 2.371 3.671 66 1HD2 LEU 9 1HD2 LEU 9 28.407 4.157 3.502 67 2HD2 LEU 9 3HD2 LEU 9 27.152 4.779 4.573 68 3HD2 LEU 9 2HD2 LEU 9 27.976 3.272 4.968 69 H GLN 10 HN GLN 10 26.977 0.038 5.979 70 HA GLN 10 HA GLN 10 25.414 -2.185 5.097 71 1HB GLN 10 HB2 GLN 10 25.833 -0.940 7.803 72 2HB GLN 10 HB1 GLN 10 24.796 -2.334 7.529 73 1HG GLN 10 HG2 GLN 10 26.669 -3.537 6.617 74 2HG GLN 10 HG1 GLN 10 27.734 -2.169 6.945 75 1HE2 GLN 10 1HE2 GLN 10 29.014 -3.365 8.224 76 2HE2 GLN 10 2HE2 GLN 10 28.594 -3.896 9.807 77 H VAL 11 HN VAL 11 23.731 -1.683 4.018 78 HA VAL 11 HA VAL 11 22.064 0.593 4.794 79 HB VAL 11 HB VAL 11 21.650 -1.160 2.416 80 1HG1 VAL 11 1HG1 VAL 11 19.883 0.318 2.960 81 2HG1 VAL 11 3HG1 VAL 11 20.977 1.704 2.953 82 3HG1 VAL 11 2HG1 VAL 11 20.656 0.819 1.454 83 1HG2 VAL 11 3HG2 VAL 11 23.952 -0.485 2.285 84 2HG2 VAL 11 2HG2 VAL 11 22.993 0.307 1.046 85 3HG2 VAL 11 1HG2 VAL 11 23.509 1.219 2.479 86 H HIS 12 HN HIS 12 20.321 0.121 6.003 87 HA HIS 12 HA HIS 12 19.136 -2.519 5.704 88 1HB HIS 12 HB2 HIS 12 19.468 -1.685 8.040 89 2HB HIS 12 HB1 HIS 12 18.439 -0.302 7.672 90 HD1 HIS 12 HD1 HIS 12 16.176 -0.674 8.759 91 HD2 HIS 12 HD2 HIS 12 17.815 -4.188 7.253 92 HE1 HIS 12 HE1 HIS 12 14.456 -2.471 9.133 93 H VAL 13 HN VAL 13 17.914 -2.582 4.020 94 HA VAL 13 HA VAL 13 16.375 -0.245 3.238 95 HB VAL 13 HB VAL 13 15.993 -1.379 1.118 96 1HG1 VAL 13 3HG1 VAL 13 17.965 0.003 1.339 97 2HG1 VAL 13 2HG1 VAL 13 18.883 -1.416 1.872 98 3HG1 VAL 13 1HG1 VAL 13 18.250 -1.350 0.236 99 1HG2 VAL 13 1HG2 VAL 13 17.732 -3.579 2.189 100 2HG2 VAL 13 3HG2 VAL 13 16.003 -3.678 1.845 101 3HG2 VAL 13 2HG2 VAL 13 17.151 -3.438 0.524 102 H GLN 14 HN GLN 14 14.397 -0.146 3.425 103 HA GLN 14 HA GLN 14 12.908 -2.528 4.278 104 1HB GLN 14 HB2 GLN 14 12.649 -0.587 5.783 105 2HB GLN 14 HB1 GLN 14 12.136 0.406 4.426 106 1HG GLN 14 HG2 GLN 14 10.184 -1.106 4.130 107 2HG GLN 14 HG1 GLN 14 10.692 -1.971 5.573 108 1HE2 GLN 14 1HE2 GLN 14 8.261 -0.499 4.941 109 2HE2 GLN 14 2HE2 GLN 14 8.052 0.674 6.185 110 H LEU 15 HN LEU 15 12.172 -3.564 2.508 111 HA LEU 15 HA LEU 15 11.505 -1.968 0.213 112 1HB LEU 15 HB2 LEU 15 11.610 -4.928 0.653 113 2HB LEU 15 HB1 LEU 15 11.106 -4.206 -0.853 114 HG LEU 15 HG LEU 15 13.124 -4.622 -1.415 115 1HD1 LEU 15 3HD1 LEU 15 13.779 -2.135 0.112 116 2HD1 LEU 15 2HD1 LEU 15 14.831 -2.871 -1.093 117 3HD1 LEU 15 1HD1 LEU 15 13.239 -2.275 -1.561 118 1HD2 LEU 15 1HD2 LEU 15 13.974 -4.700 1.448 119 2HD2 LEU 15 3HD2 LEU 15 13.847 -5.999 0.228 120 3HD2 LEU 15 2HD2 LEU 15 15.100 -4.787 0.083 121 H GLU 16 HN GLU 16 9.511 -1.223 0.083 122 HA GLU 16 HA GLU 16 7.344 -2.657 1.424 123 1HB GLU 16 HB2 GLU 16 7.317 0.009 0.019 124 2HB GLU 16 HB1 GLU 16 6.000 -0.680 0.947 125 1HG GLU 16 HG2 GLU 16 7.359 -0.529 2.969 126 2HG GLU 16 HG1 GLU 16 8.668 0.200 2.031 127 H LYS 17 HN LYS 17 5.984 -3.844 0.277 128 HA LYS 17 HA LYS 17 6.024 -3.554 -2.645 129 1HB LYS 17 HB2 LYS 17 5.371 -5.996 -0.973 130 2HB LYS 17 HB1 LYS 17 5.372 -5.928 -2.734 131 1HG LYS 17 HG2 LYS 17 7.740 -5.412 -2.721 132 2HG LYS 17 HG1 LYS 17 7.701 -5.442 -0.953 133 1HD LYS 17 HD2 LYS 17 7.161 -7.806 -0.989 134 2HD LYS 17 HD1 LYS 17 7.157 -7.787 -2.762 135 1HE LYS 17 HE2 LYS 17 9.462 -7.181 -2.825 136 2HE LYS 17 HE1 LYS 17 9.500 -6.950 -1.089 137 1HZ LYS 17 HZ3 LYS 17 9.011 -9.414 -0.935 138 2HZ LYS 17 HZ2 LYS 17 9.292 -9.514 -2.581 139 3HZ LYS 17 HZ1 LYS 17 10.520 -8.981 -1.535 140 H VAL 18 HN VAL 18 4.344 -2.317 -3.080 141 HA VAL 18 HA VAL 18 2.067 -2.349 -1.291 142 HB VAL 18 HB VAL 18 2.256 -0.711 -3.809 143 1HG1 VAL 18 3HG1 VAL 18 0.114 -0.726 -2.815 144 2HG1 VAL 18 2HG1 VAL 18 0.781 -0.226 -1.257 145 3HG1 VAL 18 1HG1 VAL 18 0.851 0.868 -2.642 146 1HG2 VAL 18 1HG2 VAL 18 3.456 0.064 -1.138 147 2HG2 VAL 18 3HG2 VAL 18 4.324 -0.259 -2.647 148 3HG2 VAL 18 2HG2 VAL 18 3.256 1.129 -2.542 149 H TYR 19 HN TYR 19 0.317 -3.442 -1.688 150 HA TYR 19 HA TYR 19 -0.071 -4.566 -4.354 151 1HB TYR 19 HB2 TYR 19 -1.068 -5.429 -1.622 152 2HB TYR 19 HB1 TYR 19 -1.543 -6.189 -3.137 153 HD1 TYR 19 HD1 TYR 19 -0.110 -7.699 -4.258 154 HD2 TYR 19 HD2 TYR 19 1.303 -5.631 -0.802 155 HE1 TYR 19 HE1 TYR 19 1.840 -9.168 -4.181 156 HE2 TYR 19 HE2 TYR 19 3.285 -7.119 -0.740 157 HH TYR 19 HH TYR 19 4.061 -9.174 -3.322 158 H LEU 20 HN LEU 20 -2.277 -4.514 -5.136 159 HA LEU 20 HA LEU 20 -3.586 -2.009 -4.807 160 1HB LEU 20 HB2 LEU 20 -4.744 -4.610 -5.837 161 2HB LEU 20 HB1 LEU 20 -5.599 -3.091 -5.870 162 HG LEU 20 HG LEU 20 -3.799 -2.243 -7.399 163 1HD1 LEU 20 3HD1 LEU 20 -3.080 -5.139 -7.392 164 2HD1 LEU 20 2HD1 LEU 20 -2.524 -3.981 -8.610 165 3HD1 LEU 20 1HD1 LEU 20 -2.051 -3.798 -6.907 166 1HD2 LEU 20 3HD2 LEU 20 -5.430 -4.604 -8.272 167 2HD2 LEU 20 2HD2 LEU 20 -5.969 -2.928 -8.203 168 3HD2 LEU 20 1HD2 LEU 20 -4.715 -3.406 -9.354 169 H ASP 21 HN ASP 21 -3.764 -4.952 -3.302 170 HA ASP 21 HA ASP 21 -6.207 -5.169 -2.027 171 1HB ASP 21 HB2 ASP 21 -4.207 -6.757 -2.137 172 2HB ASP 21 HB1 ASP 21 -3.611 -5.866 -0.768 173 H GLY 22 HN GLY 22 -3.493 -3.121 -1.239 174 1HA GLY 22 HA1 GLY 22 -4.930 -2.145 1.118 175 2HA GLY 22 HA2 GLY 22 -3.683 -1.267 0.226 176 H ASP 23 HN ASP 23 -3.147 -4.517 0.594 177 HA ASP 23 HA ASP 23 -1.606 -4.360 3.017 178 1HB ASP 23 HB2 ASP 23 -2.793 -6.454 2.543 179 2HB ASP 23 HB1 ASP 23 -1.972 -6.599 0.996 180 H VAL 24 HN VAL 24 0.603 -4.734 3.052 181 HA VAL 24 HA VAL 24 2.103 -4.459 0.639 182 HB VAL 24 HB VAL 24 1.863 -2.147 0.994 183 1HG1 VAL 24 3HG1 VAL 24 0.817 -2.301 3.113 184 2HG1 VAL 24 2HG1 VAL 24 2.360 -2.660 3.901 185 3HG1 VAL 24 1HG1 VAL 24 2.078 -1.051 3.181 186 1HG2 VAL 24 2HG2 VAL 24 4.397 -2.916 2.427 187 2HG2 VAL 24 1HG2 VAL 24 4.200 -2.697 0.691 188 3HG2 VAL 24 3HG2 VAL 24 4.042 -1.315 1.777 189 H SER 25 HN SER 25 3.671 -5.755 0.745 190 HA SER 25 HA SER 25 4.307 -6.995 3.261 191 1HB SER 25 HB2 SER 25 4.050 -8.350 1.177 192 2HB SER 25 HB1 SER 25 5.445 -7.518 0.496 193 HG SER 25 HG SER 25 5.339 -9.328 2.667 194 H ILE 26 HN ILE 26 5.830 -6.355 4.494 195 HA ILE 26 HA ILE 26 7.726 -4.366 3.516 196 HB ILE 26 HB ILE 26 7.040 -5.227 6.339 197 1HG1 ILE 26 2HG1 ILE 26 5.185 -4.054 5.314 198 2HG1 ILE 26 1HG1 ILE 26 5.935 -3.017 6.531 199 1HG2 ILE 26 2HG2 ILE 26 9.328 -4.411 6.198 200 2HG2 ILE 26 1HG2 ILE 26 8.759 -2.948 5.388 201 3HG2 ILE 26 3HG2 ILE 26 8.305 -3.258 7.063 202 1HD1 ILE 26 3HD1 ILE 26 7.075 -1.813 4.726 203 2HD1 ILE 26 2HD1 ILE 26 6.247 -2.849 3.555 204 3HD1 ILE 26 1HD1 ILE 26 5.315 -1.754 4.573 205 H GLU 27 HN GLU 27 9.608 -5.120 2.910 206 HA GLU 27 HA GLU 27 10.543 -7.597 4.125 207 1HB GLU 27 HB2 GLU 27 10.056 -8.012 1.894 208 2HB GLU 27 HB1 GLU 27 10.704 -6.473 1.369 209 1HG GLU 27 HG2 GLU 27 12.820 -7.201 1.391 210 2HG GLU 27 HG1 GLU 27 12.535 -8.443 2.585 211 H HIS 28 HN HIS 28 12.379 -7.525 5.187 212 HA HIS 28 HA HIS 28 13.799 -4.953 5.254 213 1HB HIS 28 HB2 HIS 28 13.757 -7.183 7.303 214 2HB HIS 28 HB1 HIS 28 14.668 -5.688 7.443 215 HD1 HIS 28 HD1 HIS 28 12.101 -6.932 9.188 216 HD2 HIS 28 HD2 HIS 28 12.294 -3.597 6.726 217 HE1 HIS 28 HE1 HIS 28 10.258 -5.399 9.954 218 H LYS 29 HN LYS 29 15.762 -4.900 4.392 219 HA LYS 29 HA LYS 29 17.322 -7.350 4.499 220 1HB LYS 29 HB2 LYS 29 17.041 -5.551 2.151 221 2HB LYS 29 HB1 LYS 29 18.317 -6.735 2.301 222 1HG LYS 29 HG2 LYS 29 16.191 -8.327 2.654 223 2HG LYS 29 HG1 LYS 29 15.444 -7.034 1.730 224 1HD LYS 29 HD2 LYS 29 17.969 -8.328 1.025 225 2HD LYS 29 HD1 LYS 29 16.408 -8.817 0.283 226 1HE LYS 29 HE2 LYS 29 16.210 -6.425 -0.523 227 2HE LYS 29 HE1 LYS 29 17.838 -6.131 0.083 228 1HZ LYS 29 HZ1 LYS 29 18.588 -7.905 -1.478 229 2HZ LYS 29 HZ3 LYS 29 17.024 -7.918 -2.133 230 3HZ LYS 29 HZ2 LYS 29 17.973 -6.526 -2.208 231 H HIS 30 HN HIS 30 19.407 -7.082 4.698 232 HA HIS 30 HA HIS 30 20.344 -4.354 5.063 233 1HB HIS 30 HB2 HIS 30 21.753 -5.041 6.971 234 2HB HIS 30 HB1 HIS 30 20.029 -5.154 7.305 235 HD1 HIS 30 HD1 HIS 30 23.121 -7.067 7.563 236 HD2 HIS 30 HD2 HIS 30 19.082 -7.915 7.239 237 HE1 HIS 30 HE1 HIS 30 22.853 -9.469 8.284 238 H GLU 31 HN GLU 31 21.768 -3.961 3.516 239 HA GLU 31 HA GLU 31 23.633 -6.143 2.977 240 1HB GLU 31 HB2 GLU 31 23.468 -5.732 0.580 241 2HB GLU 31 HB1 GLU 31 21.925 -6.146 1.316 242 1HG GLU 31 HG2 GLU 31 21.249 -3.823 1.283 243 2HG GLU 31 HG1 GLU 31 22.760 -3.410 0.467 244 H LYS 32 HN LYS 32 25.708 -5.609 2.560 245 HA LYS 32 HA LYS 32 26.393 -2.846 2.977 246 1HB LYS 32 HB2 LYS 32 28.031 -5.336 2.732 247 2HB LYS 32 HB1 LYS 32 28.751 -3.741 2.738 248 1HG LYS 32 HG2 LYS 32 27.674 -3.363 4.936 249 2HG LYS 32 HG1 LYS 32 27.229 -5.061 5.019 250 1HD LYS 32 HD2 LYS 32 29.982 -3.846 4.891 251 2HD LYS 32 HD1 LYS 32 29.263 -4.748 6.217 252 1HE LYS 32 HE2 LYS 32 29.863 -5.855 3.501 253 2HE LYS 32 HE1 LYS 32 30.925 -6.025 4.889 254 1HZ LYS 32 HZ1 LYS 32 29.032 -7.171 6.038 255 2HZ LYS 32 HZ3 LYS 32 28.203 -7.208 4.558 256 3HZ LYS 32 HZ2 LYS 32 29.666 -8.003 4.737 257 H VAL 33 HN VAL 33 26.934 -1.541 1.446 258 HA VAL 33 HA VAL 33 27.396 -2.740 -1.189 259 HB VAL 33 HB VAL 33 26.126 -1.237 -2.255 260 1HG1 VAL 33 3HG1 VAL 33 25.014 -1.020 0.455 261 2HG1 VAL 33 2HG1 VAL 33 24.199 -0.421 -0.974 262 3HG1 VAL 33 1HG1 VAL 33 24.545 -2.167 -0.810 263 1HG2 VAL 33 3HG2 VAL 33 27.451 0.723 -1.762 264 2HG2 VAL 33 2HG2 VAL 33 25.727 1.044 -1.795 265 3HG2 VAL 33 1HG2 VAL 33 26.585 0.953 -0.225 266 H PHE 34 HN PHE 34 29.030 -1.838 -2.449 267 HA PHE 34 HA PHE 34 31.089 -0.630 -0.798 268 1HB PHE 34 HB2 PHE 34 31.191 -1.919 -3.497 269 2HB PHE 34 HB1 PHE 34 32.601 -1.449 -2.540 270 HD1 PHE 34 HD1 PHE 34 30.783 -4.184 -3.523 271 HD2 PHE 34 HD2 PHE 34 32.332 -2.426 0.027 272 HE1 PHE 34 HE1 PHE 34 30.703 -6.372 -2.401 273 HE2 PHE 34 HE2 PHE 34 32.265 -4.619 1.144 274 HZ PHE 34 HZ PHE 34 31.446 -6.593 -0.074 275 H SER 35 HN SER 35 29.021 -0.019 -3.510 276 HA SER 35 HA SER 35 30.002 2.710 -3.592 277 1HB SER 35 HB2 SER 35 30.794 1.597 -5.630 278 2HB SER 35 HB1 SER 35 29.164 0.960 -5.912 279 HG SER 35 HG SER 35 30.171 3.196 -6.759 280 H MET 36 HN MET 36 28.352 3.998 -3.047 281 HA MET 36 HA MET 36 25.722 2.981 -2.669 282 1HB MET 36 HB2 MET 36 26.885 5.742 -2.618 283 2HB MET 36 HB1 MET 36 25.151 5.500 -2.507 284 1HG MET 36 HG2 MET 36 26.489 3.769 -0.649 285 2HG MET 36 HG1 MET 36 27.025 5.464 -0.475 286 1HE MET 36 HE2 MET 36 23.704 4.209 -1.823 287 2HE MET 36 HE1 MET 36 23.740 3.078 -0.484 288 3HE MET 36 HE3 MET 36 22.552 4.407 -0.517 289 H ASP 37 HN ASP 37 27.412 4.498 -5.136 290 HA ASP 37 HA ASP 37 25.258 5.366 -6.761 291 1HB ASP 37 HB2 ASP 37 27.476 6.261 -7.111 292 2HB ASP 37 HB1 ASP 37 28.106 4.658 -7.468 293 H ASP 38 HN ASP 38 26.948 2.338 -6.386 294 HA ASP 38 HA ASP 38 25.687 1.095 -8.648 295 1HB ASP 38 HB2 ASP 38 27.880 0.234 -7.695 296 2HB ASP 38 HB1 ASP 38 26.974 -0.229 -6.274 297 H PHE 39 HN PHE 39 25.154 1.258 -5.162 298 HA PHE 39 HA PHE 39 23.102 -0.520 -4.924 299 1HB PHE 39 HB2 PHE 39 24.193 0.369 -3.018 300 2HB PHE 39 HB1 PHE 39 23.713 2.012 -3.417 301 HD1 PHE 39 HD1 PHE 39 22.635 -1.191 -1.959 302 HD2 PHE 39 HD2 PHE 39 21.486 2.751 -2.991 303 HE1 PHE 39 HE1 PHE 39 20.669 -1.403 -0.491 304 HE2 PHE 39 HE2 PHE 39 19.495 2.544 -1.548 305 HZ PHE 39 HZ PHE 39 19.095 0.483 -0.314 306 H TRP 40 HN TRP 40 23.077 2.965 -5.662 307 HA TRP 40 HA TRP 40 20.291 3.287 -5.795 308 1HB TRP 40 HB2 TRP 40 22.415 4.901 -7.218 309 2HB TRP 40 HB1 TRP 40 20.731 5.383 -7.040 310 HD1 TRP 40 HD1 TRP 40 23.782 6.441 -5.705 311 HE1 TRP 40 HE1 TRP 40 23.698 7.145 -3.243 312 HE3 TRP 40 HE3 TRP 40 19.292 4.352 -4.441 313 HZ2 TRP 40 HZ2 TRP 40 21.919 6.858 -1.051 314 HZ3 TRP 40 HZ3 TRP 40 18.481 4.610 -2.154 315 HH2 TRP 40 HH2 TRP 40 19.754 5.837 -0.501 316 H ALA 41 HN ALA 41 22.631 2.391 -8.163 317 HA ALA 41 HA ALA 41 20.773 2.410 -10.339 318 1HB ALA 41 HB3 ALA 41 22.500 1.218 -11.585 319 2HB ALA 41 HB2 ALA 41 23.199 2.580 -10.707 320 3HB ALA 41 HB1 ALA 41 23.393 0.939 -10.090 321 H ALA 42 HN ALA 42 21.745 0.073 -7.989 322 HA ALA 42 HA ALA 42 20.580 -2.195 -9.231 323 1HB ALA 42 HB1 ALA 42 22.351 -2.358 -7.546 324 2HB ALA 42 HB2 ALA 42 20.928 -3.303 -7.090 325 3HB ALA 42 HB3 ALA 42 21.232 -1.735 -6.334 326 H TYR 43 HN TYR 43 19.349 0.193 -6.906 327 HA TYR 43 HA TYR 43 16.736 -1.167 -7.078 328 1HB TYR 43 HB2 TYR 43 17.864 0.588 -4.906 329 2HB TYR 43 HB1 TYR 43 16.220 -0.004 -4.944 330 HD1 TYR 43 HD1 TYR 43 19.745 -1.069 -4.538 331 HD2 TYR 43 HD2 TYR 43 15.669 -2.237 -4.375 332 HE1 TYR 43 HE1 TYR 43 20.398 -3.186 -3.458 333 HE2 TYR 43 HE2 TYR 43 16.299 -4.343 -3.293 334 HH TYR 43 HH TYR 43 19.399 -4.900 -2.040 335 H ALA 44 HN ALA 44 18.098 1.040 -8.773 336 HA ALA 44 HA ALA 44 16.867 3.445 -8.589 337 1HB ALA 44 HB3 ALA 44 18.583 2.891 -10.238 338 2HB ALA 44 HB2 ALA 44 17.397 1.962 -11.156 339 3HB ALA 44 HB1 ALA 44 17.205 3.705 -10.977 340 H GLY 45 HN GLY 45 15.402 0.493 -9.753 341 1HA GLY 45 HA1 GLY 45 13.311 0.027 -10.511 342 2HA GLY 45 HA2 GLY 45 13.161 1.722 -10.966 343 H TRP 46 HN TRP 46 13.805 0.531 -7.694 344 HA TRP 46 HA TRP 46 11.163 0.618 -6.733 345 1HB TRP 46 HB2 TRP 46 13.781 1.045 -5.286 346 2HB TRP 46 HB1 TRP 46 12.222 0.734 -4.546 347 HD1 TRP 46 HD1 TRP 46 14.710 -1.061 -6.891 348 HE1 TRP 46 HE1 TRP 46 14.627 -3.566 -6.367 349 HE3 TRP 46 HE3 TRP 46 11.055 -0.971 -3.387 350 HZ2 TRP 46 HZ2 TRP 46 13.172 -5.304 -4.603 351 HZ3 TRP 46 HZ3 TRP 46 10.361 -3.068 -2.353 352 HH2 TRP 46 HH2 TRP 46 11.404 -5.191 -2.983 353 H THR 47 HN THR 47 10.121 2.330 -5.544 354 HA THR 47 HA THR 47 10.941 4.940 -6.284 355 HB THR 47 HB THR 47 8.732 3.881 -4.525 356 HG1 THR 47 HG1 THR 47 8.986 4.334 -7.294 357 1HG2 THR 47 2HG2 THR 47 9.067 6.565 -5.870 358 2HG2 THR 47 1HG2 THR 47 7.644 6.035 -4.954 359 3HG2 THR 47 3HG2 THR 47 9.195 6.238 -4.135 360 H LEU 48 HN LEU 48 12.488 5.939 -5.116 361 HA LEU 48 HA LEU 48 13.298 5.048 -2.546 362 1HB LEU 48 HB2 LEU 48 14.835 6.053 -4.264 363 2HB LEU 48 HB1 LEU 48 14.019 7.577 -4.064 364 HG LEU 48 HG LEU 48 16.317 7.315 -2.976 365 1HD1 LEU 48 1HD1 LEU 48 14.861 9.163 -2.362 366 2HD1 LEU 48 3HD1 LEU 48 14.083 8.144 -1.139 367 3HD1 LEU 48 2HD1 LEU 48 15.796 8.560 -0.993 368 1HD2 LEU 48 3HD2 LEU 48 16.032 5.100 -2.050 369 2HD2 LEU 48 2HD2 LEU 48 16.370 6.290 -0.775 370 3HD2 LEU 48 1HD2 LEU 48 14.733 5.696 -1.014 371 H VAL 49 HN VAL 49 12.029 5.347 -0.890 372 HA VAL 49 HA VAL 49 10.157 7.519 -0.853 373 HB VAL 49 HB VAL 49 10.675 5.317 1.165 374 1HG1 VAL 49 2HG1 VAL 49 9.625 7.294 2.218 375 2HG1 VAL 49 1HG1 VAL 49 8.373 7.290 0.977 376 3HG1 VAL 49 3HG1 VAL 49 8.483 5.957 2.127 377 1HG2 VAL 49 3HG2 VAL 49 9.865 4.468 -0.949 378 2HG2 VAL 49 2HG2 VAL 49 8.608 4.328 0.284 379 3HG2 VAL 49 1HG2 VAL 49 8.520 5.609 -0.923 380 H GLU 50 HN GLU 50 12.885 6.397 1.163 381 HA GLU 50 HA GLU 50 13.727 9.074 1.582 382 1HB GLU 50 HB2 GLU 50 13.590 9.075 4.033 383 2HB GLU 50 HB1 GLU 50 11.973 8.988 3.336 384 1HG GLU 50 HG2 GLU 50 11.910 6.647 3.840 385 2HG GLU 50 HG1 GLU 50 13.558 6.697 4.467 386 H GLN 51 HN GLN 51 15.759 9.096 2.683 387 HA GLN 51 HA GLN 51 16.946 6.536 3.300 388 1HB GLN 51 HB2 GLN 51 18.959 7.067 1.995 389 2HB GLN 51 HB1 GLN 51 17.491 6.846 1.034 390 1HG GLN 51 HG2 GLN 51 17.282 9.177 0.668 391 2HG GLN 51 HG1 GLN 51 18.594 9.513 1.800 392 1HE2 GLN 51 1HE2 GLN 51 17.757 8.132 -1.225 393 2HE2 GLN 51 2HE2 GLN 51 19.349 8.119 -1.912 394 H LYS 52 HN LYS 52 18.445 6.570 4.781 395 HA LYS 52 HA LYS 52 19.612 9.041 5.698 396 1HB LYS 52 HB2 LYS 52 19.158 8.193 8.117 397 2HB LYS 52 HB1 LYS 52 17.832 8.978 7.262 398 1HG LYS 52 HG2 LYS 52 17.099 6.686 6.604 399 2HG LYS 52 HG1 LYS 52 18.253 6.047 7.778 400 1HD LYS 52 HD2 LYS 52 15.972 7.950 8.407 401 2HD LYS 52 HD1 LYS 52 15.876 6.210 8.605 402 1HE LYS 52 HE2 LYS 52 16.278 7.035 10.748 403 2HE LYS 52 HE1 LYS 52 17.845 6.462 10.207 404 1HZ LYS 52 HZ1 LYS 52 18.454 8.805 9.725 405 2HZ LYS 52 HZ3 LYS 52 16.947 9.310 10.297 406 3HZ LYS 52 HZ2 LYS 52 18.036 8.565 11.313 407 H LYS 53 HN LYS 53 21.320 8.337 7.522 408 HA LYS 53 HA LYS 53 23.403 7.321 6.096 409 1HB LYS 53 HB2 LYS 53 23.689 8.720 8.053 410 2HB LYS 53 HB1 LYS 53 23.182 7.403 9.098 411 1HG LYS 53 HG2 LYS 53 25.586 7.703 9.145 412 2HG LYS 53 HG1 LYS 53 25.176 6.134 8.449 413 1HD LYS 53 HD2 LYS 53 25.430 7.105 6.208 414 2HD LYS 53 HD1 LYS 53 25.946 8.630 6.929 415 1HE LYS 53 HE2 LYS 53 27.324 5.961 7.232 416 2HE LYS 53 HE1 LYS 53 27.842 7.254 6.161 417 1HZ LYS 53 HZ1 LYS 53 27.731 7.420 9.133 418 2HZ LYS 53 HZ3 LYS 53 29.107 7.189 8.211 419 3HZ LYS 53 HZ2 LYS 53 28.284 8.645 8.110 420 H GLY 54 HN GLY 54 21.318 5.360 7.815 421 1HA GLY 54 HA1 GLY 54 22.345 3.094 8.588 422 2HA GLY 54 HA2 GLY 54 22.955 3.032 6.945 423 H TYR 55 HN TYR 55 20.007 4.368 6.496 424 HA TYR 55 HA TYR 55 18.793 1.804 6.076 425 1HB TYR 55 HB2 TYR 55 18.026 2.198 8.211 426 2HB TYR 55 HB1 TYR 55 17.983 3.925 8.002 427 HD1 TYR 55 HD1 TYR 55 16.233 4.958 6.888 428 HD2 TYR 55 HD2 TYR 55 16.079 0.835 7.608 429 HE1 TYR 55 HE1 TYR 55 13.797 5.038 6.517 430 HE2 TYR 55 HE2 TYR 55 13.637 0.830 7.236 431 HH TYR 55 HH TYR 55 12.020 3.433 5.855 432 H VAL 56 HN VAL 56 17.647 1.835 4.230 433 HA VAL 56 HA VAL 56 16.859 4.423 3.141 434 HB VAL 56 HB VAL 56 18.027 2.074 1.609 435 1HG1 VAL 56 3HG1 VAL 56 16.168 3.092 0.400 436 2HG1 VAL 56 2HG1 VAL 56 16.903 4.681 0.603 437 3HG1 VAL 56 1HG1 VAL 56 17.702 3.460 -0.389 438 1HG2 VAL 56 3HG2 VAL 56 19.695 3.562 2.689 439 2HG2 VAL 56 2HG2 VAL 56 19.768 3.635 0.924 440 3HG2 VAL 56 1HG2 VAL 56 18.984 4.927 1.826 441 H LEU 57 HN LEU 57 14.817 4.481 2.442 442 HA LEU 57 HA LEU 57 13.208 2.050 2.743 443 1HB LEU 57 HB2 LEU 57 12.672 3.784 4.322 444 2HB LEU 57 HB1 LEU 57 12.606 4.967 3.051 445 HG LEU 57 HG LEU 57 10.405 4.126 2.312 446 1HD1 LEU 57 3HD1 LEU 57 10.732 1.859 4.116 447 2HD1 LEU 57 2HD1 LEU 57 9.340 2.397 3.109 448 3HD1 LEU 57 1HD1 LEU 57 10.866 1.986 2.336 449 1HD2 LEU 57 2HD2 LEU 57 10.560 4.244 5.303 450 2HD2 LEU 57 1HD2 LEU 57 10.356 5.611 4.215 451 3HD2 LEU 57 3HD2 LEU 57 9.099 4.383 4.326 452 H PHE 58 HN PHE 58 12.578 1.146 0.930 453 HA PHE 58 HA PHE 58 12.106 2.771 -1.502 454 1HB PHE 58 HB2 PHE 58 13.476 0.135 -1.148 455 2HB PHE 58 HB1 PHE 58 12.630 0.479 -2.635 456 HD1 PHE 58 HD1 PHE 58 15.687 0.609 -0.965 457 HD2 PHE 58 HD2 PHE 58 13.340 2.687 -3.812 458 HE1 PHE 58 HE1 PHE 58 17.714 1.645 -1.871 459 HE2 PHE 58 HE2 PHE 58 15.361 3.767 -4.714 460 HZ PHE 58 HZ PHE 58 17.558 3.234 -3.748 461 H ARG 59 HN ARG 59 10.379 2.125 -2.787 462 HA ARG 59 HA ARG 59 8.921 -0.215 -1.864 463 1HB ARG 59 HB2 ARG 59 6.739 0.858 -2.276 464 2HB ARG 59 HB1 ARG 59 7.656 1.661 -1.010 465 1HG ARG 59 HG2 ARG 59 8.242 3.432 -2.545 466 2HG ARG 59 HG1 ARG 59 7.358 2.579 -3.830 467 1HD ARG 59 HD2 ARG 59 6.193 4.423 -2.719 468 2HD ARG 59 HD1 ARG 59 5.299 2.902 -2.804 469 HE ARG 59 HE ARG 59 6.725 3.067 -0.332 470 1HH1 ARG 59 1HH1 ARG 59 3.834 4.448 -1.837 471 2HH1 ARG 59 2HH1 ARG 59 2.991 4.583 -0.364 472 1HH2 ARG 59 1HH2 ARG 59 5.599 3.210 1.575 473 2HH2 ARG 59 2HH2 ARG 59 4.013 3.879 1.669 474 H LYS 60 HN LYS 60 7.968 -1.413 -3.327 475 HA LYS 60 HA LYS 60 8.141 -0.739 -6.170 476 1HB LYS 60 HB2 LYS 60 10.112 -2.072 -5.613 477 2HB LYS 60 HB1 LYS 60 9.108 -3.271 -4.813 478 1HG LYS 60 HG2 LYS 60 9.622 -4.239 -6.858 479 2HG LYS 60 HG1 LYS 60 8.039 -3.531 -7.160 480 1HD LYS 60 HD2 LYS 60 9.446 -3.006 -9.040 481 2HD LYS 60 HD1 LYS 60 9.217 -1.532 -8.092 482 1HE LYS 60 HE2 LYS 60 11.380 -1.587 -7.202 483 2HE LYS 60 HE1 LYS 60 11.633 -3.255 -7.653 484 1HZ LYS 60 HZ2 LYS 60 11.299 -1.046 -9.634 485 2HZ LYS 60 HZ1 LYS 60 12.786 -1.740 -9.158 486 3HZ LYS 60 HZ3 LYS 60 11.637 -2.651 -9.957 487 H GLN 61 HN GLN 61 6.129 -1.097 -6.888 488 HA GLN 61 HA GLN 61 4.558 -2.955 -5.314 489 1HB GLN 61 HB2 GLN 61 2.587 -1.542 -5.723 490 2HB GLN 61 HB1 GLN 61 3.879 -0.791 -4.790 491 1HG GLN 61 HG2 GLN 61 4.600 0.310 -6.882 492 2HG GLN 61 HG1 GLN 61 3.056 -0.226 -7.595 493 1HE2 GLN 61 1HE2 GLN 61 4.640 1.835 -5.411 494 2HE2 GLN 61 2HE2 GLN 61 3.329 2.832 -4.936 495 H MET 62 HN MET 62 3.471 -4.434 -6.193 496 HA MET 62 HA MET 62 3.673 -4.705 -9.087 497 1HB MET 62 HB2 MET 62 3.524 -7.153 -8.717 498 2HB MET 62 HB1 MET 62 4.937 -6.444 -7.962 499 1HG MET 62 HG2 MET 62 2.400 -7.127 -6.476 500 2HG MET 62 HG1 MET 62 3.766 -8.221 -6.630 501 1HE MET 62 HE1 MET 62 6.125 -7.832 -5.481 502 2HE MET 62 HE3 MET 62 6.329 -6.262 -6.263 503 3HE MET 62 HE2 MET 62 6.554 -6.430 -4.519 504 H ASP 63 HN ASP 63 1.902 -5.441 -10.227 505 HA ASP 63 HA ASP 63 -0.567 -4.604 -9.067 506 1HB ASP 63 HB2 ASP 63 -0.094 -3.909 -11.333 507 2HB ASP 63 HB1 ASP 63 0.095 -5.577 -11.849 508 H ASP 64 HN ASP 64 -0.847 -6.134 -7.478 509 HA ASP 64 HA ASP 64 -2.626 -8.217 -8.200 510 1HB ASP 64 HB2 ASP 64 -0.322 -9.322 -8.533 511 2HB ASP 64 HB1 ASP 64 -0.086 -9.128 -6.800 512 H ILE 65 HN ILE 65 -3.168 -9.432 -5.926 513 HA ILE 65 HA ILE 65 -3.026 -7.299 -3.930 514 HB ILE 65 HB ILE 65 -5.211 -7.993 -3.055 515 1HG1 ILE 65 2HG1 ILE 65 -5.450 -9.710 -5.509 516 2HG1 ILE 65 1HG1 ILE 65 -5.044 -10.347 -3.918 517 1HG2 ILE 65 3HG2 ILE 65 -5.199 -7.210 -5.933 518 2HG2 ILE 65 2HG2 ILE 65 -6.585 -7.096 -4.839 519 3HG2 ILE 65 1HG2 ILE 65 -5.127 -6.154 -4.523 520 1HD1 ILE 65 1HD1 ILE 65 -7.559 -8.884 -4.645 521 2HD1 ILE 65 3HD1 ILE 65 -7.392 -10.626 -4.420 522 3HD1 ILE 65 2HD1 ILE 65 -7.157 -9.537 -3.052 523 H SER 66 HN SER 66 -2.099 -10.510 -4.522 524 HA SER 66 HA SER 66 -1.040 -12.047 -3.256 525 1HB SER 66 HB2 SER 66 -1.965 -10.549 -0.770 526 2HB SER 66 HB1 SER 66 -0.837 -11.896 -0.761 527 HG SER 66 HG SER 66 -0.551 -9.303 -1.718 528 HA PRO 67 HA PRO 67 -4.211 -15.060 -2.746 529 1HB PRO 67 HB2 PRO 67 -3.180 -16.841 -0.933 530 2HB PRO 67 HB1 PRO 67 -2.699 -16.758 -2.629 531 1HG PRO 67 HG2 PRO 67 -1.338 -15.662 -0.213 532 2HG PRO 67 HG1 PRO 67 -0.634 -16.418 -1.652 533 1HD PRO 67 HD2 PRO 67 -0.628 -13.751 -1.254 534 2HD PRO 67 HD1 PRO 67 -0.715 -14.470 -2.866 535 H LEU 68 HN LEU 68 -2.968 -14.468 0.591 536 HA LEU 68 HA LEU 68 -5.217 -15.347 1.991 537 1HB LEU 68 HB2 LEU 68 -2.786 -14.785 2.719 538 2HB LEU 68 HB1 LEU 68 -3.366 -13.156 2.939 539 HG LEU 68 HG LEU 68 -3.142 -14.431 5.039 540 1HD1 LEU 68 3HD1 LEU 68 -5.966 -13.674 4.408 541 2HD1 LEU 68 2HD1 LEU 68 -5.335 -13.974 6.022 542 3HD1 LEU 68 1HD1 LEU 68 -4.708 -12.626 5.060 543 1HD2 LEU 68 1HD2 LEU 68 -3.644 -16.634 4.194 544 2HD2 LEU 68 3HD2 LEU 68 -4.674 -16.243 5.572 545 3HD2 LEU 68 2HD2 LEU 68 -5.327 -16.176 3.931 546 H SER 69 HN SER 69 -4.609 -12.407 0.358 547 HA SER 69 HA SER 69 -6.441 -10.701 1.603 548 1HB SER 69 HB2 SER 69 -5.267 -10.727 -1.153 549 2HB SER 69 HB1 SER 69 -6.067 -9.352 -0.378 550 HG SER 69 HG SER 69 -4.245 -8.917 0.353 551 H LYS 70 HN LYS 70 -7.073 -13.255 -0.717 552 HA LYS 70 HA LYS 70 -9.666 -12.095 -1.243 553 1HB LYS 70 HB2 LYS 70 -8.561 -14.816 -1.919 554 2HB LYS 70 HB1 LYS 70 -10.253 -14.431 -2.148 555 1HG LYS 70 HG2 LYS 70 -9.334 -14.127 -4.253 556 2HG LYS 70 HG1 LYS 70 -9.420 -12.497 -3.612 557 1HD LYS 70 HD2 LYS 70 -7.324 -12.820 -4.752 558 2HD LYS 70 HD1 LYS 70 -7.020 -12.646 -3.024 559 1HE LYS 70 HE2 LYS 70 -5.687 -14.434 -4.106 560 2HE LYS 70 HE1 LYS 70 -6.686 -15.021 -2.787 561 1HZ LYS 70 HZ3 LYS 70 -7.291 -15.274 -5.698 562 2HZ LYS 70 HZ2 LYS 70 -6.779 -16.511 -4.665 563 3HZ LYS 70 HZ1 LYS 70 -8.279 -15.813 -4.444 564 H VAL 71 HN VAL 71 -8.290 -14.220 1.088 565 HA VAL 71 HA VAL 71 -10.769 -15.419 1.901 566 HB VAL 71 HB VAL 71 -9.607 -16.644 3.472 567 1HG1 VAL 71 3HG1 VAL 71 -8.626 -17.140 1.347 568 2HG1 VAL 71 2HG1 VAL 71 -7.402 -15.897 1.610 569 3HG1 VAL 71 1HG1 VAL 71 -7.431 -17.323 2.639 570 1HG2 VAL 71 2HG2 VAL 71 -7.603 -14.424 3.784 571 2HG2 VAL 71 1HG2 VAL 71 -8.859 -14.808 4.922 572 3HG2 VAL 71 3HG2 VAL 71 -7.533 -15.958 4.671 573 H ASN 72 HN ASN 72 -8.918 -12.655 2.773 574 HA ASN 72 HA ASN 72 -10.805 -12.075 4.943 575 1HB ASN 72 HB2 ASN 72 -9.106 -10.818 6.034 576 2HB ASN 72 HB1 ASN 72 -8.325 -12.212 5.391 577 1HD2 ASN 72 1HD2 ASN 72 -6.279 -11.270 5.460 578 2HD2 ASN 72 2HD2 ASN 72 -5.807 -10.047 4.330 579 H GLY 73 HN GLY 73 -10.284 -11.462 1.844 580 1HA GLY 73 HA1 GLY 73 -11.295 -10.154 0.319 581 2HA GLY 73 HA2 GLY 73 -10.487 -8.876 1.196 582 H TYR 74 HN TYR 74 -11.568 -7.401 2.105 583 HA TYR 74 HA TYR 74 -14.391 -7.061 1.775 584 1HB TYR 74 HB2 TYR 74 -13.075 -7.229 4.500 585 2HB TYR 74 HB1 TYR 74 -14.500 -6.250 4.206 586 HD1 TYR 74 HD1 TYR 74 -13.204 -9.635 4.608 587 HD2 TYR 74 HD2 TYR 74 -16.629 -7.287 3.795 588 HE1 TYR 74 HE1 TYR 74 -14.623 -11.563 5.095 589 HE2 TYR 74 HE2 TYR 74 -18.073 -9.139 4.256 590 HH TYR 74 HH TYR 74 -16.978 -11.969 5.823 591 H ILE 75 HN ILE 75 -14.656 -5.086 1.318 592 HA ILE 75 HA ILE 75 -12.507 -3.174 1.871 593 HB ILE 75 HB ILE 75 -14.652 -3.319 -0.202 594 1HG1 ILE 75 2HG1 ILE 75 -11.706 -2.993 -0.523 595 2HG1 ILE 75 1HG1 ILE 75 -12.543 -4.545 -0.477 596 1HG2 ILE 75 3HG2 ILE 75 -14.508 -0.943 0.564 597 2HG2 ILE 75 2HG2 ILE 75 -12.763 -0.968 0.322 598 3HG2 ILE 75 1HG2 ILE 75 -13.846 -1.083 -1.064 599 1HD1 ILE 75 1HD1 ILE 75 -12.928 -2.341 -2.511 600 2HD1 ILE 75 3HD1 ILE 75 -12.046 -3.843 -2.775 601 3HD1 ILE 75 2HD1 ILE 75 -13.789 -3.871 -2.501 602 H GLY 76 HN GLY 76 -12.964 -1.634 3.301 603 1HA GLY 76 HA1 GLY 76 -14.567 -1.652 5.250 604 2HA GLY 76 HA2 GLY 76 -15.788 -1.361 4.025 605 H VAL 77 HN VAL 77 -16.447 0.557 4.517 606 HA VAL 77 HA VAL 77 -14.358 2.561 4.643 607 HB VAL 77 HB VAL 77 -15.836 4.284 3.960 608 1HG1 VAL 77 3HG1 VAL 77 -15.847 1.980 2.063 609 2HG1 VAL 77 2HG1 VAL 77 -16.269 3.650 1.632 610 3HG1 VAL 77 1HG1 VAL 77 -14.662 3.262 2.248 611 1HG2 VAL 77 3HG2 VAL 77 -17.972 2.180 3.856 612 2HG2 VAL 77 2HG2 VAL 77 -17.861 3.637 4.865 613 3HG2 VAL 77 1HG2 VAL 77 -18.119 3.799 3.126 614 H SER 78 HN SER 78 -14.453 4.109 6.037 615 HA SER 78 HA SER 78 -15.981 3.510 8.435 616 1HB SER 78 HB2 SER 78 -13.936 5.699 7.955 617 2HB SER 78 HB1 SER 78 -14.523 5.109 9.512 618 HG SER 78 HG SER 78 -13.555 3.163 9.145 619 H ASP 79 HN ASP 79 -16.990 5.694 9.462 620 HA ASP 79 HA ASP 79 -19.151 6.386 7.966 621 1HB ASP 79 HB2 ASP 79 -17.858 7.677 10.334 622 2HB ASP 79 HB1 ASP 79 -19.337 8.299 9.630 623 H ASN 80 HN ASN 80 -16.070 7.895 7.893 624 HA ASN 80 HA ASN 80 -17.088 10.237 6.480 625 1HB ASN 80 HB2 ASN 80 -14.334 9.506 7.450 626 2HB ASN 80 HB1 ASN 80 -14.638 10.903 6.430 627 1HD2 ASN 80 1HD2 ASN 80 -14.953 9.538 9.562 628 2HD2 ASN 80 2HD2 ASN 80 -15.500 10.977 10.349 629 H GLY 81 HN GLY 81 -16.896 7.355 5.430 630 1HA GLY 81 HA1 GLY 81 -16.348 8.036 2.741 631 2HA GLY 81 HA2 GLY 81 -16.711 6.433 3.376 632 H VAL 82 HN VAL 82 -14.677 6.308 5.228 633 HA VAL 82 HA VAL 82 -12.185 6.804 3.858 634 HB VAL 82 HB VAL 82 -12.520 5.099 6.347 635 1HG1 VAL 82 2HG1 VAL 82 -10.192 6.697 5.293 636 2HG1 VAL 82 1HG1 VAL 82 -10.211 5.786 6.805 637 3HG1 VAL 82 3HG1 VAL 82 -10.353 4.939 5.263 638 1HG2 VAL 82 2HG2 VAL 82 -13.568 7.352 6.633 639 2HG2 VAL 82 1HG2 VAL 82 -12.174 7.071 7.695 640 3HG2 VAL 82 3HG2 VAL 82 -12.000 8.060 6.253 641 H ILE 83 HN ILE 83 -11.319 5.581 2.495 642 HA ILE 83 HA ILE 83 -12.663 3.258 1.457 643 HB ILE 83 HB ILE 83 -10.321 4.799 0.231 644 1HG1 ILE 83 2HG1 ILE 83 -12.187 6.272 0.604 645 2HG1 ILE 83 1HG1 ILE 83 -12.100 5.892 -1.112 646 1HG2 ILE 83 2HG2 ILE 83 -12.346 2.941 -1.066 647 2HG2 ILE 83 1HG2 ILE 83 -11.096 3.856 -1.915 648 3HG2 ILE 83 3HG2 ILE 83 -10.647 2.562 -0.800 649 1HD1 ILE 83 2HD1 ILE 83 -13.936 4.628 0.887 650 2HD1 ILE 83 1HD1 ILE 83 -14.400 5.862 -0.294 651 3HD1 ILE 83 3HD1 ILE 83 -13.897 4.252 -0.837 652 H SER 84 HN SER 84 -11.656 2.323 3.658 653 HA SER 84 HA SER 84 -8.860 1.449 3.192 654 1HB SER 84 HB2 SER 84 -10.512 1.136 5.680 655 2HB SER 84 HB1 SER 84 -8.752 1.092 5.522 656 HG SER 84 HG SER 84 -9.984 3.267 4.522 657 H THR 85 HN THR 85 -8.341 -0.754 3.088 658 HA THR 85 HA THR 85 -10.610 -2.518 2.979 659 HB THR 85 HB THR 85 -9.001 -4.259 2.223 660 HG1 THR 85 HG1 THR 85 -6.892 -3.384 1.633 661 1HG2 THR 85 2HG2 THR 85 -10.090 -2.825 0.595 662 2HG2 THR 85 1HG2 THR 85 -8.788 -1.647 0.742 663 3HG2 THR 85 3HG2 THR 85 -8.457 -3.244 0.067 664 H PHE 86 HN PHE 86 -10.798 -4.351 4.309 665 HA PHE 86 HA PHE 86 -9.313 -4.020 6.771 666 1HB PHE 86 HB2 PHE 86 -12.248 -4.456 6.403 667 2HB PHE 86 HB1 PHE 86 -11.441 -4.885 7.903 668 HD1 PHE 86 HD1 PHE 86 -11.950 -2.077 5.578 669 HD2 PHE 86 HD2 PHE 86 -11.155 -3.329 9.514 670 HE1 PHE 86 HE1 PHE 86 -12.278 0.259 6.361 671 HE2 PHE 86 HE2 PHE 86 -11.460 -1.014 10.347 672 HZ PHE 86 HZ PHE 86 -12.022 0.784 8.760 673 H HIS 87 HN HIS 87 -9.294 -5.946 8.105 674 HA HIS 87 HA HIS 87 -9.140 -8.378 6.523 675 1HB HIS 87 HB2 HIS 87 -7.284 -7.827 8.099 676 2HB HIS 87 HB1 HIS 87 -8.443 -7.808 9.425 677 HD1 HIS 87 HD1 HIS 87 -9.118 -10.120 10.422 678 HD2 HIS 87 HD2 HIS 87 -6.590 -10.357 7.140 679 HE1 HIS 87 HE1 HIS 87 -8.373 -12.511 10.296 680 H GLY 88 HN GLY 88 -11.164 -9.046 6.226 681 1HA GLY 88 HA1 GLY 88 -12.677 -9.842 8.547 682 2HA GLY 88 HA2 GLY 88 -13.094 -10.168 6.864 683 H ARG 89 HN ARG 89 -15.012 -9.383 8.568 684 HA ARG 89 HA ARG 89 -16.328 -7.257 7.421 685 1HB ARG 89 HB2 ARG 89 -16.568 -8.381 10.204 686 2HB ARG 89 HB1 ARG 89 -17.648 -7.159 9.554 687 1HG ARG 89 HG2 ARG 89 -17.237 -9.866 8.311 688 2HG ARG 89 HG1 ARG 89 -18.540 -9.475 9.439 689 1HD ARG 89 HD2 ARG 89 -19.348 -7.752 7.916 690 2HD ARG 89 HD1 ARG 89 -18.041 -8.108 6.793 691 HE ARG 89 HE ARG 89 -19.559 -10.409 7.390 692 1HH1 ARG 89 1HH1 ARG 89 -19.650 -7.459 5.429 693 2HH1 ARG 89 2HH1 ARG 89 -20.674 -8.126 4.241 694 1HH2 ARG 89 1HH2 ARG 89 -20.933 -11.308 5.778 695 2HH2 ARG 89 2HH2 ARG 89 -21.418 -10.379 4.434 696 HA PRO 90 HA PRO 90 -14.004 -3.831 9.059 697 1HB PRO 90 HB2 PRO 90 -15.404 -1.866 7.802 698 2HB PRO 90 HB1 PRO 90 -14.171 -2.848 7.009 699 1HG PRO 90 HG2 PRO 90 -17.124 -3.022 6.848 700 2HG PRO 90 HG1 PRO 90 -15.927 -3.378 5.602 701 1HD PRO 90 HD2 PRO 90 -17.279 -5.222 7.120 702 2HD PRO 90 HD1 PRO 90 -15.768 -5.578 6.270 703 H GLU 91 HN GLU 91 -14.460 -3.769 11.171 704 HA GLU 91 HA GLU 91 -16.644 -2.094 12.002 705 1HB GLU 91 HB2 GLU 91 -17.197 -3.759 13.817 706 2HB GLU 91 HB1 GLU 91 -17.560 -4.336 12.210 707 1HG GLU 91 HG2 GLU 91 -15.521 -5.688 12.266 708 2HG GLU 91 HG1 GLU 91 -15.203 -5.088 13.898 709 HA PRO 92 HA PRO 92 -13.416 -0.574 14.615 710 1HB PRO 92 HB2 PRO 92 -14.461 -0.444 17.143 711 2HB PRO 92 HB1 PRO 92 -14.788 0.775 15.899 712 1HG PRO 92 HG2 PRO 92 -16.464 -1.470 16.889 713 2HG PRO 92 HG1 PRO 92 -16.966 0.114 16.281 714 1HD PRO 92 HD2 PRO 92 -17.100 -2.234 14.869 715 2HD PRO 92 HD1 PRO 92 -17.019 -0.633 14.092 716 H ALA 93 HN ALA 93 -14.928 -3.472 15.564 717 HA ALA 93 HA ALA 93 -12.859 -4.215 17.406 718 1HB ALA 93 HB1 ALA 93 -15.149 -4.969 17.724 719 2HB ALA 93 HB2 ALA 93 -14.031 -6.335 17.605 720 3HB ALA 93 HB3 ALA 93 -15.058 -5.904 16.232 721 H SER 94 HN SER 94 -12.968 -4.053 14.044 722 HA SER 94 HA SER 94 -10.918 -6.087 13.958 723 1HB SER 94 HB2 SER 94 -11.385 -6.088 11.479 724 2HB SER 94 HB1 SER 94 -12.689 -6.751 12.475 725 HG SER 94 HG SER 94 -13.584 -5.475 11.023 726 H GLU 95 HN GLU 95 -9.233 -5.397 12.106 727 HA GLU 95 HA GLU 95 -8.747 -2.614 12.736 728 1HB GLU 95 HB2 GLU 95 -6.341 -3.046 12.575 729 2HB GLU 95 HB1 GLU 95 -7.103 -4.040 13.805 730 1HG GLU 95 HG2 GLU 95 -7.066 -5.944 12.301 731 2HG GLU 95 HG1 GLU 95 -6.369 -4.910 11.044 732 HA PRO 96 HA PRO 96 -8.626 -1.847 8.344 733 1HB PRO 96 HB2 PRO 96 -6.951 0.483 8.832 734 2HB PRO 96 HB1 PRO 96 -8.641 0.440 8.329 735 1HG PRO 96 HG2 PRO 96 -7.834 1.313 10.781 736 2HG PRO 96 HG1 PRO 96 -9.416 0.581 10.470 737 1HD PRO 96 HD2 PRO 96 -6.967 -0.663 11.676 738 2HD PRO 96 HD1 PRO 96 -8.683 -0.858 12.108 739 H ILE 97 HN ILE 97 -7.211 -2.292 6.744 740 HA ILE 97 HA ILE 97 -4.626 -3.316 7.500 741 HB ILE 97 HB ILE 97 -5.904 -3.031 4.756 742 1HG1 ILE 97 2HG1 ILE 97 -5.777 -5.487 6.520 743 2HG1 ILE 97 1HG1 ILE 97 -7.160 -4.403 6.459 744 1HG2 ILE 97 2HG2 ILE 97 -3.563 -4.726 5.669 745 2HG2 ILE 97 1HG2 ILE 97 -4.299 -4.772 4.067 746 3HG2 ILE 97 3HG2 ILE 97 -3.478 -3.313 4.616 747 1HD1 ILE 97 1HD1 ILE 97 -6.078 -5.932 4.097 748 2HD1 ILE 97 3HD1 ILE 97 -7.479 -6.366 5.097 749 3HD1 ILE 97 2HD1 ILE 97 -7.517 -4.879 4.179 750 H GLN 98 HN GLN 98 -5.976 -0.531 5.910 751 HA GLN 98 HA GLN 98 -3.719 1.121 6.319 752 1HB GLN 98 HB2 GLN 98 -2.959 1.449 4.093 753 2HB GLN 98 HB1 GLN 98 -3.268 -0.273 4.070 754 1HG GLN 98 HG2 GLN 98 -5.102 1.878 2.991 755 2HG GLN 98 HG1 GLN 98 -4.065 0.817 2.045 756 1HE2 GLN 98 1HE2 GLN 98 -4.636 -1.498 3.534 757 2HE2 GLN 98 2HE2 GLN 98 -6.275 -1.954 3.143 758 H SER 99 HN SER 99 -4.477 3.275 4.943 759 HA SER 99 HA SER 99 -7.306 3.230 4.534 760 1HB SER 99 HB2 SER 99 -7.535 5.414 5.819 761 2HB SER 99 HB1 SER 99 -7.213 3.998 6.822 762 HG SER 99 HG SER 99 -5.137 5.621 5.839 763 H PHE 100 HN PHE 100 -7.530 4.049 2.470 764 HA PHE 100 HA PHE 100 -5.343 5.471 1.307 765 1HB PHE 100 HB2 PHE 100 -7.996 4.596 0.166 766 2HB PHE 100 HB1 PHE 100 -6.804 5.496 -0.756 767 HD1 PHE 100 HD1 PHE 100 -4.507 4.459 -1.057 768 HD2 PHE 100 HD2 PHE 100 -7.876 2.272 0.327 769 HE1 PHE 100 HE1 PHE 100 -3.409 2.360 -1.724 770 HE2 PHE 100 HE2 PHE 100 -6.779 0.164 -0.326 771 HZ PHE 100 HZ PHE 100 -4.546 0.210 -1.358 772 H PHE 101 HN PHE 101 -8.836 6.323 1.283 773 HA PHE 101 HA PHE 101 -8.220 8.972 2.134 774 1HB PHE 101 HB2 PHE 101 -9.033 10.091 0.068 775 2HB PHE 101 HB1 PHE 101 -7.561 9.147 -0.160 776 HD1 PHE 101 HD1 PHE 101 -11.154 9.337 -0.965 777 HD2 PHE 101 HD2 PHE 101 -7.505 7.248 -1.608 778 HE1 PHE 101 HE1 PHE 101 -12.157 8.169 -2.883 779 HE2 PHE 101 HE2 PHE 101 -8.510 6.073 -3.518 780 HZ PHE 101 HZ PHE 101 -10.838 6.534 -4.156 781 H GLN 102 HN GLN 102 -10.381 10.336 1.621 782 HA GLN 102 HA GLN 102 -12.596 8.722 2.675 783 1HB GLN 102 HB2 GLN 102 -11.687 11.513 3.243 784 2HB GLN 102 HB1 GLN 102 -13.354 11.036 3.528 785 1HG GLN 102 HG2 GLN 102 -12.765 9.479 5.098 786 2HG GLN 102 HG1 GLN 102 -11.053 9.504 4.734 787 1HE2 GLN 102 1HE2 GLN 102 -13.193 12.312 5.063 788 2HE2 GLN 102 2HE2 GLN 102 -12.461 12.941 6.478 789 H ILE 103 HN ILE 103 -14.679 9.183 1.980 790 HA ILE 103 HA ILE 103 -15.084 11.072 -0.196 791 HB ILE 103 HB ILE 103 -16.325 9.480 -1.598 792 1HG1 ILE 103 2HG1 ILE 103 -15.732 7.370 0.494 793 2HG1 ILE 103 1HG1 ILE 103 -17.293 8.150 0.265 794 1HG2 ILE 103 3HG2 ILE 103 -13.716 8.260 -0.811 795 2HG2 ILE 103 2HG2 ILE 103 -14.641 7.894 -2.273 796 3HG2 ILE 103 1HG2 ILE 103 -13.997 9.517 -2.014 797 1HD1 ILE 103 1HD1 ILE 103 -17.355 7.288 -2.008 798 2HD1 ILE 103 3HD1 ILE 103 -15.860 6.403 -1.714 799 3HD1 ILE 103 2HD1 ILE 103 -17.323 6.010 -0.788 800 H ASP 104 HN ASP 104 -17.370 11.639 -0.360 801 HA ASP 104 HA ASP 104 -18.560 11.553 2.254 802 1HB ASP 104 HB2 ASP 104 -19.095 13.099 -0.224 803 2HB ASP 104 HB1 ASP 104 -20.438 12.893 0.888 804 H LEU 105 HN LEU 105 -19.725 9.943 2.923 805 HA LEU 105 HA LEU 105 -20.831 8.112 1.074 806 1HB LEU 105 HB2 LEU 105 -21.258 8.317 4.031 807 2HB LEU 105 HB1 LEU 105 -21.951 7.080 3.019 808 HG LEU 105 HG LEU 105 -19.110 7.460 3.850 809 1HD1 LEU 105 3HD1 LEU 105 -21.089 5.224 3.878 810 2HD1 LEU 105 2HD1 LEU 105 -19.411 5.057 4.405 811 3HD1 LEU 105 1HD1 LEU 105 -20.517 6.147 5.265 812 1HD2 LEU 105 1HD2 LEU 105 -20.054 5.726 1.542 813 2HD2 LEU 105 3HD2 LEU 105 -19.004 7.136 1.412 814 3HD2 LEU 105 2HD2 LEU 105 -18.445 5.699 2.252 815 H GLU 106 HN GLU 106 -21.980 10.857 2.711 816 HA GLU 106 HA GLU 106 -24.702 10.374 2.248 817 1HB GLU 106 HB2 GLU 106 -24.959 12.830 2.618 818 2HB GLU 106 HB1 GLU 106 -24.106 11.976 3.892 819 1HG GLU 106 HG2 GLU 106 -22.024 12.825 3.192 820 2HG GLU 106 HG1 GLU 106 -22.693 13.486 1.708 821 H ARG 107 HN ARG 107 -22.133 11.235 0.130 822 HA ARG 107 HA ARG 107 -23.977 12.320 -1.821 823 1HB ARG 107 HB2 ARG 107 -22.197 13.279 -2.869 824 2HB ARG 107 HB1 ARG 107 -21.499 13.095 -1.274 825 1HG ARG 107 HG2 ARG 107 -20.363 11.074 -1.980 826 2HG ARG 107 HG1 ARG 107 -21.101 11.264 -3.584 827 1HD ARG 107 HD2 ARG 107 -19.094 13.096 -2.233 828 2HD ARG 107 HD1 ARG 107 -18.852 12.107 -3.654 829 HE ARG 107 HE ARG 107 -20.985 13.877 -4.038 830 1HH1 ARG 107 1HH1 ARG 107 -17.493 13.974 -3.739 831 2HH1 ARG 107 2HH1 ARG 107 -17.243 15.155 -4.949 832 1HH2 ARG 107 1HH2 ARG 107 -20.707 15.540 -5.632 833 2HH2 ARG 107 2HH2 ARG 107 -19.146 16.109 -6.041 834 H LEU 108 HN LEU 108 -22.395 9.377 -1.006 835 HA LEU 108 HA LEU 108 -22.850 7.917 -3.406 836 1HB LEU 108 HB2 LEU 108 -22.690 7.109 -0.522 837 2HB LEU 108 HB1 LEU 108 -23.351 5.967 -1.662 838 HG LEU 108 HG LEU 108 -20.988 5.406 -1.358 839 1HD1 LEU 108 3HD1 LEU 108 -21.864 5.092 -3.419 840 2HD1 LEU 108 2HD1 LEU 108 -21.301 6.699 -3.931 841 3HD1 LEU 108 1HD1 LEU 108 -20.141 5.466 -3.407 842 1HD2 LEU 108 2HD2 LEU 108 -20.563 8.300 -1.869 843 2HD2 LEU 108 1HD2 LEU 108 -20.239 7.307 -0.432 844 3HD2 LEU 108 3HD2 LEU 108 -19.286 7.040 -1.892 845 H GLU 109 HN GLU 109 -24.562 6.712 -4.124 846 HA GLU 109 HA GLU 109 -26.986 7.889 -3.783 847 1HB GLU 109 HB2 GLU 109 -27.968 5.789 -4.937 848 2HB GLU 109 HB1 GLU 109 -26.900 6.884 -5.784 849 1HG GLU 109 HG2 GLU 109 -26.111 4.924 -6.417 850 2HG GLU 109 HG1 GLU 109 -25.053 5.227 -5.063 851 H SER 110 HN SER 110 -26.638 4.519 -2.645 852 HA SER 110 HA SER 110 -27.764 5.193 -0.114 853 1HB SER 110 HB2 SER 110 -29.368 3.451 -2.020 854 2HB SER 110 HB1 SER 110 -29.707 3.624 -0.302 855 HG SER 110 HG SER 110 -29.486 6.003 -1.609 856 H HIS 111 HN HIS 111 -27.704 2.240 -2.133 857 HA HIS 111 HA HIS 111 -26.739 0.808 0.153 858 1HB HIS 111 HB2 HIS 111 -27.615 -0.137 -2.562 859 2HB HIS 111 HB1 HIS 111 -26.916 -1.222 -1.372 860 HD1 HIS 111 HD1 HIS 111 -30.110 0.373 -2.331 861 HD2 HIS 111 HD2 HIS 111 -28.496 -1.504 1.007 862 HE1 HIS 111 HE1 HIS 111 -32.058 -0.240 -0.860 863 H MET 112 HN MET 112 -25.265 2.217 -2.557 864 HA MET 112 HA MET 112 -22.972 0.679 -2.876 865 1HB MET 112 HB2 MET 112 -23.516 3.608 -3.057 866 2HB MET 112 HB1 MET 112 -21.875 3.014 -3.242 867 1HG MET 112 HG2 MET 112 -24.190 2.050 -4.898 868 2HG MET 112 HG1 MET 112 -23.144 3.391 -5.367 869 1HE MET 112 HE2 MET 112 -20.694 3.251 -5.582 870 2HE MET 112 HE1 MET 112 -20.269 2.286 -4.201 871 3HE MET 112 HE3 MET 112 -19.679 1.818 -5.807 872 H GLN 113 HN GLN 113 -23.447 3.394 -0.656 873 HA GLN 113 HA GLN 113 -20.938 3.051 0.552 874 1HB GLN 113 HB2 GLN 113 -21.861 4.546 2.349 875 2HB GLN 113 HB1 GLN 113 -21.838 5.235 0.719 876 1HG GLN 113 HG2 GLN 113 -24.025 5.398 0.657 877 2HG GLN 113 HG1 GLN 113 -24.160 3.793 1.423 878 1HE2 GLN 113 1HE2 GLN 113 -24.006 7.204 2.044 879 2HE2 GLN 113 2HE2 GLN 113 -24.479 7.114 3.699 880 H LYS 114 HN LYS 114 -24.125 1.842 1.170 881 HA LYS 114 HA LYS 114 -23.682 0.825 3.716 882 1HB LYS 114 HB2 LYS 114 -25.641 0.010 1.639 883 2HB LYS 114 HB1 LYS 114 -25.594 -0.658 3.270 884 1HG LYS 114 HG2 LYS 114 -25.733 1.661 4.155 885 2HG LYS 114 HG1 LYS 114 -25.979 2.211 2.505 886 1HD LYS 114 HD2 LYS 114 -28.000 2.016 3.712 887 2HD LYS 114 HD1 LYS 114 -27.958 0.884 2.326 888 1HE LYS 114 HE2 LYS 114 -27.428 -0.943 3.886 889 2HE LYS 114 HE1 LYS 114 -27.426 0.205 5.227 890 1HZ LYS 114 HZ2 LYS 114 -29.796 0.568 4.798 891 2HZ LYS 114 HZ1 LYS 114 -29.768 -0.546 3.558 892 3HZ LYS 114 HZ3 LYS 114 -29.464 -1.038 5.140 893 H ASN 115 HN ASN 115 -23.108 -0.557 0.543 894 HA ASN 115 HA ASN 115 -22.459 -3.182 1.381 895 1HB ASN 115 HB2 ASN 115 -21.500 -1.575 -1.004 896 2HB ASN 115 HB1 ASN 115 -21.029 -3.247 -0.730 897 1HD2 ASN 115 1HD2 ASN 115 -22.435 -2.136 -2.964 898 2HD2 ASN 115 2HD2 ASN 115 -23.969 -2.911 -3.027 899 H LEU 116 HN LEU 116 -20.747 -0.238 1.135 900 HA LEU 116 HA LEU 116 -18.154 -1.257 1.746 901 1HB LEU 116 HB2 LEU 116 -19.241 1.536 1.974 902 2HB LEU 116 HB1 LEU 116 -17.552 1.072 1.925 903 HG LEU 116 HG LEU 116 -19.484 0.680 -0.366 904 1HD1 LEU 116 1HD1 LEU 116 -19.118 3.055 0.140 905 2HD1 LEU 116 3HD1 LEU 116 -17.379 2.796 -0.032 906 3HD1 LEU 116 2HD1 LEU 116 -18.463 2.552 -1.405 907 1HD2 LEU 116 1HD2 LEU 116 -17.602 -0.879 -0.356 908 2HD2 LEU 116 3HD2 LEU 116 -17.469 0.285 -1.672 909 3HD2 LEU 116 2HD2 LEU 116 -16.478 0.474 -0.223 910 H LEU 117 HN LEU 117 -20.871 -0.044 3.631 911 HA LEU 117 HA LEU 117 -19.603 0.347 6.076 912 1HB LEU 117 HB2 LEU 117 -22.439 -0.548 5.579 913 2HB LEU 117 HB1 LEU 117 -21.824 0.069 7.096 914 HG LEU 117 HG LEU 117 -22.104 1.595 4.521 915 1HD1 LEU 117 1HD1 LEU 117 -24.238 1.189 5.644 916 2HD1 LEU 117 3HD1 LEU 117 -23.579 1.863 7.136 917 3HD1 LEU 117 2HD1 LEU 117 -23.788 2.883 5.711 918 1HD2 LEU 117 3HD2 LEU 117 -21.030 2.474 7.193 919 2HD2 LEU 117 2HD2 LEU 117 -20.176 2.338 5.645 920 3HD2 LEU 117 1HD2 LEU 117 -21.441 3.552 5.840 921 H LYS 118 HN LYS 118 -21.274 -2.569 4.848 922 HA LYS 118 HA LYS 118 -20.275 -3.931 7.231 923 1HB LYS 118 HB2 LYS 118 -21.733 -5.749 6.917 924 2HB LYS 118 HB1 LYS 118 -22.679 -4.310 6.617 925 1HG LYS 118 HG2 LYS 118 -21.455 -5.888 4.418 926 2HG LYS 118 HG1 LYS 118 -22.994 -6.343 5.157 927 1HD LYS 118 HD2 LYS 118 -23.860 -4.083 4.550 928 2HD LYS 118 HD1 LYS 118 -22.335 -3.763 3.722 929 1HE LYS 118 HE2 LYS 118 -24.056 -4.455 2.133 930 2HE LYS 118 HE1 LYS 118 -22.763 -5.649 2.211 931 1HZ LYS 118 HZ1 LYS 118 -25.372 -5.868 3.631 932 2HZ LYS 118 HZ3 LYS 118 -24.993 -6.643 2.187 933 3HZ LYS 118 HZ2 LYS 118 -24.177 -7.046 3.599 934 H GLY 119 HN GLY 119 -19.444 -3.657 3.943 935 1HA GLY 119 HA1 GLY 119 -17.363 -5.563 4.573 936 2HA GLY 119 HA2 GLY 119 -17.166 -4.114 3.592 937 H ILE 120 HN ILE 120 -16.812 -4.685 1.671 938 HA ILE 120 HA ILE 120 -18.658 -6.145 0.107 939 HB ILE 120 HB ILE 120 -15.716 -5.739 -0.573 940 1HG1 ILE 120 2HG1 ILE 120 -16.594 -3.570 0.007 941 2HG1 ILE 120 1HG1 ILE 120 -16.512 -3.658 -1.757 942 1HG2 ILE 120 1HG2 ILE 120 -16.939 -7.286 -2.035 943 2HG2 ILE 120 3HG2 ILE 120 -18.159 -6.048 -2.328 944 3HG2 ILE 120 2HG2 ILE 120 -16.508 -5.809 -2.901 945 1HD1 ILE 120 1HD1 ILE 120 -18.909 -4.226 -1.744 946 2HD1 ILE 120 3HD1 ILE 120 -18.871 -3.998 0.009 947 3HD1 ILE 120 2HD1 ILE 120 -18.555 -2.618 -1.064 948 HA PRO 121 HA PRO 121 -17.650 -10.006 1.946 949 1HB PRO 121 HB2 PRO 121 -19.124 -11.619 0.374 950 2HB PRO 121 HB1 PRO 121 -19.827 -10.512 1.560 951 1HG PRO 121 HG2 PRO 121 -19.439 -10.096 -1.380 952 2HG PRO 121 HG1 PRO 121 -20.907 -9.845 -0.417 953 1HD PRO 121 HD2 PRO 121 -19.332 -7.813 -1.075 954 2HD PRO 121 HD1 PRO 121 -20.095 -7.892 0.529 955 H PHE 122 HN PHE 122 -16.169 -9.063 -0.768 956 HA PHE 122 HA PHE 122 -14.276 -11.137 -0.667 957 1HB PHE 122 HB2 PHE 122 -16.252 -12.153 -2.063 958 2HB PHE 122 HB1 PHE 122 -15.708 -11.061 -3.328 959 HD1 PHE 122 HD1 PHE 122 -13.856 -11.615 -4.679 960 HD2 PHE 122 HD2 PHE 122 -14.686 -13.865 -1.174 961 HE1 PHE 122 HE1 PHE 122 -12.206 -13.297 -5.370 962 HE2 PHE 122 HE2 PHE 122 -13.039 -15.548 -1.855 963 HZ PHE 122 HZ PHE 122 -11.795 -15.264 -3.958 964 H ARG 123 HN ARG 123 -12.401 -10.495 -1.872 965 HA ARG 123 HA ARG 123 -12.612 -7.948 -3.286 966 1HB ARG 123 HB2 ARG 123 -12.009 -7.589 -0.846 967 2HB ARG 123 HB1 ARG 123 -10.589 -8.575 -1.110 968 1HG ARG 123 HG2 ARG 123 -9.668 -6.913 -2.606 969 2HG ARG 123 HG1 ARG 123 -11.145 -5.953 -2.495 970 1HD ARG 123 HD2 ARG 123 -9.542 -4.953 -1.006 971 2HD ARG 123 HD1 ARG 123 -10.743 -5.767 -0.011 972 HE ARG 123 HE ARG 123 -8.097 -6.948 -0.617 973 1HH1 ARG 123 1HH1 ARG 123 -10.422 -5.987 1.964 974 2HH1 ARG 123 2HH1 ARG 123 -9.585 -6.888 3.137 975 1HH2 ARG 123 1HH2 ARG 123 -7.035 -7.931 0.941 976 2HH2 ARG 123 2HH2 ARG 123 -7.614 -8.124 2.546 977 H THR 124 HN THR 124 -11.441 -8.107 -5.170 978 HA THR 124 HA THR 124 -9.294 -10.070 -5.295 979 HB THR 124 HB THR 124 -11.112 -9.661 -7.655 980 HG1 THR 124 HG1 THR 124 -12.678 -10.855 -6.804 981 1HG2 THR 124 1HG2 THR 124 -9.563 -12.018 -6.574 982 2HG2 THR 124 3HG2 THR 124 -10.503 -12.018 -8.066 983 3HG2 THR 124 2HG2 THR 124 -9.095 -10.969 -7.921 984 H LYS 125 HN LYS 125 -8.018 -9.433 -7.596 985 HA LYS 125 HA LYS 125 -7.242 -6.853 -6.904 986 1HB LYS 125 HB2 LYS 125 -5.436 -7.082 -8.447 987 2HB LYS 125 HB1 LYS 125 -5.668 -8.596 -7.630 988 1HG LYS 125 HG2 LYS 125 -5.217 -9.258 -9.800 989 2HG LYS 125 HG1 LYS 125 -6.976 -9.326 -9.731 990 1HD LYS 125 HD2 LYS 125 -6.249 -8.284 -11.820 991 2HD LYS 125 HD1 LYS 125 -7.079 -7.102 -10.808 992 1HE LYS 125 HE2 LYS 125 -4.937 -6.217 -10.065 993 2HE LYS 125 HE1 LYS 125 -4.107 -7.445 -11.017 994 1HZ LYS 125 HZ2 LYS 125 -5.197 -6.380 -13.002 995 2HZ LYS 125 HZ1 LYS 125 -5.713 -5.128 -11.975 996 3HZ LYS 125 HZ3 LYS 125 -4.057 -5.444 -12.194 997 H ALA 126 HN ALA 126 -9.158 -8.029 -9.659 998 HA ALA 126 HA ALA 126 -9.021 -5.438 -10.907 999 1HB ALA 126 HB3 ALA 126 -10.648 -7.870 -11.612 1000 2HB ALA 126 HB2 ALA 126 -10.412 -6.443 -12.627 1001 3HB ALA 126 HB1 ALA 126 -9.046 -7.499 -12.243 1002 H GLU 127 HN GLU 127 -10.990 -7.284 -8.855 1003 HA GLU 127 HA GLU 127 -13.330 -5.741 -9.222 1004 1HB GLU 127 HB2 GLU 127 -12.652 -7.594 -6.949 1005 2HB GLU 127 HB1 GLU 127 -14.264 -7.044 -7.419 1006 1HG GLU 127 HG2 GLU 127 -13.640 -8.090 -9.742 1007 2HG GLU 127 HG1 GLU 127 -12.412 -8.879 -8.848 1008 H PHE 128 HN PHE 128 -10.595 -5.609 -7.038 1009 HA PHE 128 HA PHE 128 -11.589 -3.653 -5.285 1010 1HB PHE 128 HB2 PHE 128 -9.637 -4.920 -4.646 1011 2HB PHE 128 HB1 PHE 128 -8.779 -4.434 -6.101 1012 HD1 PHE 128 HD1 PHE 128 -9.808 -3.447 -2.767 1013 HD2 PHE 128 HD2 PHE 128 -7.874 -2.216 -6.322 1014 HE1 PHE 128 HE1 PHE 128 -8.871 -1.502 -1.561 1015 HE2 PHE 128 HE2 PHE 128 -6.913 -0.250 -5.140 1016 HZ PHE 128 HZ PHE 128 -7.423 0.097 -2.751 1017 H GLU 129 HN GLU 129 -9.473 -3.393 -8.152 1018 HA GLU 129 HA GLU 129 -9.288 -0.611 -7.956 1019 1HB GLU 129 HB2 GLU 129 -8.406 -0.740 -10.323 1020 2HB GLU 129 HB1 GLU 129 -7.551 -1.707 -9.132 1021 1HG GLU 129 HG2 GLU 129 -8.581 -3.690 -9.883 1022 2HG GLU 129 HG1 GLU 129 -9.672 -2.798 -10.937 1023 H ASP 130 HN ASP 130 -11.655 -2.639 -9.359 1024 HA ASP 130 HA ASP 130 -12.899 -0.713 -11.049 1025 1HB ASP 130 HB2 ASP 130 -13.211 -3.127 -11.325 1026 2HB ASP 130 HB1 ASP 130 -13.985 -3.209 -9.764 1027 H VAL 131 HN VAL 131 -13.640 -1.946 -7.848 1028 HA VAL 131 HA VAL 131 -15.771 -0.071 -7.475 1029 HB VAL 131 HB VAL 131 -15.865 -2.165 -6.177 1030 1HG1 VAL 131 1HG1 VAL 131 -13.513 -2.560 -5.929 1031 2HG1 VAL 131 3HG1 VAL 131 -13.398 -1.232 -4.776 1032 3HG1 VAL 131 2HG1 VAL 131 -14.356 -2.662 -4.380 1033 1HG2 VAL 131 1HG2 VAL 131 -15.448 0.186 -4.360 1034 2HG2 VAL 131 3HG2 VAL 131 -16.968 -0.254 -5.155 1035 3HG2 VAL 131 2HG2 VAL 131 -16.255 -1.320 -3.929 1036 H ILE 132 HN ILE 132 -12.395 -0.099 -6.607 1037 HA ILE 132 HA ILE 132 -12.522 2.260 -5.093 1038 HB ILE 132 HB ILE 132 -10.415 0.428 -5.940 1039 1HG1 ILE 132 2HG1 ILE 132 -9.592 0.864 -3.669 1040 2HG1 ILE 132 1HG1 ILE 132 -10.757 2.169 -3.501 1041 1HG2 ILE 132 3HG2 ILE 132 -9.556 2.406 -7.029 1042 2HG2 ILE 132 2HG2 ILE 132 -9.611 3.289 -5.506 1043 3HG2 ILE 132 1HG2 ILE 132 -8.509 1.916 -5.684 1044 1HD1 ILE 132 3HD1 ILE 132 -12.577 0.543 -3.713 1045 2HD1 ILE 132 2HD1 ILE 132 -11.386 -0.749 -3.853 1046 3HD1 ILE 132 1HD1 ILE 132 -11.510 0.174 -2.353 1047 H GLU 133 HN GLU 133 -12.043 1.751 -8.528 1048 HA GLU 133 HA GLU 133 -11.265 4.417 -8.925 1049 1HB GLU 133 HB2 GLU 133 -11.682 4.107 -11.289 1050 2HB GLU 133 HB1 GLU 133 -10.844 2.715 -10.649 1051 1HG GLU 133 HG2 GLU 133 -12.856 1.493 -10.603 1052 2HG GLU 133 HG1 GLU 133 -13.761 2.902 -11.190 1053 H HIS 134 HN HIS 134 -14.270 2.848 -8.504 1054 HA HIS 134 HA HIS 134 -15.881 5.044 -9.335 1055 1HB HIS 134 HB2 HIS 134 -16.585 2.598 -9.269 1056 2HB HIS 134 HB1 HIS 134 -16.656 2.753 -7.518 1057 HD1 HIS 134 HD1 HIS 134 -18.518 3.717 -10.635 1058 HD2 HIS 134 HD2 HIS 134 -18.807 4.115 -6.525 1059 HE1 HIS 134 HE1 HIS 134 -20.837 4.555 -10.191 1060 H MET 135 HN MET 135 -14.628 3.806 -6.302 1061 HA MET 135 HA MET 135 -15.647 5.688 -4.468 1062 1HB MET 135 HB2 MET 135 -12.887 4.460 -4.438 1063 2HB MET 135 HB1 MET 135 -13.662 5.246 -3.085 1064 1HG MET 135 HG2 MET 135 -14.591 2.685 -4.379 1065 2HG MET 135 HG1 MET 135 -13.627 2.786 -2.916 1066 1HE MET 135 HE2 MET 135 -17.138 2.648 -4.442 1067 2HE MET 135 HE1 MET 135 -18.151 3.527 -3.300 1068 3HE MET 135 HE3 MET 135 -17.048 4.406 -4.356 1069 H LYS 136 HN LYS 136 -12.705 5.889 -6.431 1070 HA LYS 136 HA LYS 136 -12.070 8.487 -5.440 1071 1HB LYS 136 HB2 LYS 136 -10.261 8.593 -7.104 1072 2HB LYS 136 HB1 LYS 136 -10.253 7.064 -6.245 1073 1HG LYS 136 HG2 LYS 136 -11.457 6.080 -8.164 1074 2HG LYS 136 HG1 LYS 136 -11.223 7.586 -9.031 1075 1HD LYS 136 HD2 LYS 136 -9.490 5.949 -9.657 1076 2HD LYS 136 HD1 LYS 136 -8.796 7.363 -8.862 1077 1HE LYS 136 HE2 LYS 136 -8.543 6.163 -6.805 1078 2HE LYS 136 HE1 LYS 136 -9.434 4.780 -7.427 1079 1HZ LYS 136 HZ1 LYS 136 -6.807 5.734 -8.472 1080 2HZ LYS 136 HZ3 LYS 136 -7.001 4.472 -7.384 1081 3HZ LYS 136 HZ2 LYS 136 -7.618 4.336 -8.946 1082 H THR 137 HN THR 137 -14.199 7.360 -7.779 1083 HA THR 137 HA THR 137 -14.339 9.705 -9.307 1084 HB THR 137 HB THR 137 -15.380 7.093 -9.332 1085 HG1 THR 137 HG1 THR 137 -15.714 9.157 -11.213 1086 1HG2 THR 137 2HG2 THR 137 -17.620 9.116 -9.434 1087 2HG2 THR 137 1HG2 THR 137 -17.743 7.432 -10.009 1088 3HG2 THR 137 3HG2 THR 137 -17.365 7.750 -8.318 1089 H TYR 138 HN TYR 138 -15.444 8.837 -6.118 1090 HA TYR 138 HA TYR 138 -17.078 11.227 -6.006 1091 1HB TYR 138 HB2 TYR 138 -16.478 9.103 -3.899 1092 2HB TYR 138 HB1 TYR 138 -17.539 10.488 -3.641 1093 HD1 TYR 138 HD1 TYR 138 -17.413 7.082 -4.696 1094 HD2 TYR 138 HD2 TYR 138 -19.476 10.745 -5.284 1095 HE1 TYR 138 HE1 TYR 138 -19.208 5.888 -5.795 1096 HE2 TYR 138 HE2 TYR 138 -21.348 9.494 -6.358 1097 HH TYR 138 HH TYR 138 -21.403 6.046 -6.406 1098 H SER 139 HN SER 139 -14.402 9.719 -4.226 1099 HA SER 139 HA SER 139 -12.660 10.480 -3.063 1100 1HB SER 139 HB2 SER 139 -11.188 12.053 -4.241 1101 2HB SER 139 HB1 SER 139 -11.770 10.776 -5.297 1102 HG SER 139 HG SER 139 -13.501 12.735 -5.487 1103 H GLY 140 HN GLY 140 -15.344 11.902 -2.444 1104 1HA GLY 140 HA1 GLY 140 -14.652 14.524 -1.867 1105 2HA GLY 140 HA2 GLY 140 -14.740 13.425 -0.466 No H/Q in entry = 1105 Start of MODEL 10 1 H1 ALA 1 HT3 ALA 1 29.366 10.772 -3.004 2 H2 ALA 1 HT2 ALA 1 30.085 12.156 -2.385 3 H3 ALA 1 HT1 ALA 1 29.213 12.257 -3.826 4 HA ALA 1 HA ALA 1 30.826 10.872 -4.920 5 1HB ALA 1 HB1 ALA 1 32.779 12.362 -4.825 6 2HB ALA 1 HB2 ALA 1 32.158 13.091 -3.347 7 3HB ALA 1 HB3 ALA 1 31.279 13.288 -4.863 8 H GLU 2 HN GLU 2 31.454 8.911 -4.414 9 HA GLU 2 HA GLU 2 32.650 8.456 -1.789 10 1HB GLU 2 HB2 GLU 2 31.234 6.569 -3.690 11 2HB GLU 2 HB1 GLU 2 32.074 6.040 -2.249 12 1HG GLU 2 HG2 GLU 2 29.684 6.144 -1.843 13 2HG GLU 2 HG1 GLU 2 30.514 7.341 -0.861 14 H VAL 3 HN VAL 3 33.994 6.198 -2.096 15 HA VAL 3 HA VAL 3 35.985 6.660 -4.232 16 HB VAL 3 HB VAL 3 36.700 5.493 -1.580 17 1HG1 VAL 3 2HG1 VAL 3 38.332 7.034 -3.550 18 2HG1 VAL 3 1HG1 VAL 3 38.924 6.416 -2.008 19 3HG1 VAL 3 3HG1 VAL 3 38.356 5.297 -3.244 20 1HG2 VAL 3 1HG2 VAL 3 35.654 7.579 -0.887 21 2HG2 VAL 3 3HG2 VAL 3 37.397 7.668 -0.641 22 3HG2 VAL 3 2HG2 VAL 3 36.657 8.485 -2.019 23 H GLU 4 HN GLU 4 37.212 4.600 -4.478 24 HA GLU 4 HA GLU 4 35.420 2.349 -4.553 25 1HB GLU 4 HB2 GLU 4 38.358 2.623 -5.187 26 2HB GLU 4 HB1 GLU 4 37.429 1.147 -5.473 27 1HG GLU 4 HG2 GLU 4 37.043 3.834 -6.781 28 2HG GLU 4 HG1 GLU 4 37.730 2.391 -7.525 29 H HIS 5 HN HIS 5 35.055 1.273 -2.773 30 HA HIS 5 HA HIS 5 36.894 1.649 -0.536 31 1HB HIS 5 HB2 HIS 5 34.215 0.386 -0.474 32 2HB HIS 5 HB1 HIS 5 35.147 0.906 0.893 33 HD1 HIS 5 HD1 HIS 5 32.290 2.020 -0.888 34 HD2 HIS 5 HD2 HIS 5 35.653 3.909 0.662 35 HE1 HIS 5 HE1 HIS 5 31.655 4.436 -0.579 36 H TYR 6 HN TYR 6 37.064 -0.103 0.950 37 HA TYR 6 HA TYR 6 37.524 -2.685 -0.344 38 1HB TYR 6 HB2 TYR 6 38.733 -1.357 2.096 39 2HB TYR 6 HB1 TYR 6 39.111 -2.978 1.538 40 HD1 TYR 6 HD1 TYR 6 38.919 0.434 0.054 41 HD2 TYR 6 HD2 TYR 6 41.102 -3.172 0.435 42 HE1 TYR 6 HE1 TYR 6 40.720 1.379 -1.377 43 HE2 TYR 6 HE2 TYR 6 42.879 -2.275 -1.001 44 HH TYR 6 HH TYR 6 43.051 1.013 -1.825 45 H GLU 7 HN GLU 7 36.122 -0.863 2.231 46 HA GLU 7 HA GLU 7 34.902 -3.172 3.507 47 1HB GLU 7 HB2 GLU 7 34.745 -0.221 4.092 48 2HB GLU 7 HB1 GLU 7 34.156 -1.519 5.113 49 1HG GLU 7 HG2 GLU 7 36.341 -2.199 5.659 50 2HG GLU 7 HG1 GLU 7 37.043 -1.181 4.393 51 HA PRO 8 HA PRO 8 31.409 -1.936 0.987 52 1HB PRO 8 HB2 PRO 8 29.675 -3.757 1.711 53 2HB PRO 8 HB1 PRO 8 31.005 -4.168 0.640 54 1HG PRO 8 HG2 PRO 8 30.756 -4.686 3.580 55 2HG PRO 8 HG1 PRO 8 31.433 -5.738 2.314 56 1HD PRO 8 HD2 PRO 8 32.946 -4.190 4.009 57 2HD PRO 8 HD1 PRO 8 33.473 -4.694 2.389 58 H LEU 9 HN LEU 9 29.000 -1.749 1.592 59 HA LEU 9 HA LEU 9 28.952 -0.139 4.090 60 1HB LEU 9 HB2 LEU 9 28.621 0.801 1.548 61 2HB LEU 9 HB1 LEU 9 27.017 0.282 1.888 62 HG LEU 9 HG LEU 9 27.281 2.688 2.274 63 1HD1 LEU 9 3HD1 LEU 9 26.642 1.131 4.757 64 2HD1 LEU 9 2HD1 LEU 9 26.229 2.826 4.475 65 3HD1 LEU 9 1HD1 LEU 9 25.528 1.562 3.463 66 1HD2 LEU 9 1HD2 LEU 9 29.590 2.706 3.028 67 2HD2 LEU 9 3HD2 LEU 9 28.535 3.515 4.183 68 3HD2 LEU 9 2HD2 LEU 9 29.122 1.887 4.523 69 H GLN 10 HN GLN 10 27.758 -1.186 5.595 70 HA GLN 10 HA GLN 10 25.756 -3.079 4.884 71 1HB GLN 10 HB2 GLN 10 26.639 -1.894 7.484 72 2HB GLN 10 HB1 GLN 10 25.197 -2.892 7.407 73 1HG GLN 10 HG2 GLN 10 26.555 -4.686 6.509 74 2HG GLN 10 HG1 GLN 10 27.998 -3.685 6.660 75 1HE2 GLN 10 1HE2 GLN 10 27.341 -6.242 7.969 76 2HE2 GLN 10 2HE2 GLN 10 27.494 -5.954 9.657 77 H VAL 11 HN VAL 11 24.201 -2.227 3.774 78 HA VAL 11 HA VAL 11 22.876 0.237 4.623 79 HB VAL 11 HB VAL 11 22.226 -1.476 2.230 80 1HG1 VAL 11 1HG1 VAL 11 20.508 0.052 2.834 81 2HG1 VAL 11 3HG1 VAL 11 21.642 1.406 2.803 82 3HG1 VAL 11 2HG1 VAL 11 21.250 0.531 1.313 83 1HG2 VAL 11 3HG2 VAL 11 24.570 -0.810 2.096 84 2HG2 VAL 11 2HG2 VAL 11 23.592 -0.058 0.843 85 3HG2 VAL 11 1HG2 VAL 11 24.100 0.886 2.254 86 H HIS 12 HN HIS 12 21.120 0.067 5.838 87 HA HIS 12 HA HIS 12 19.647 -2.454 5.893 88 1HB HIS 12 HB2 HIS 12 20.321 -1.341 8.060 89 2HB HIS 12 HB1 HIS 12 19.336 0.042 7.609 90 HD1 HIS 12 HD1 HIS 12 19.168 -3.028 9.554 91 HD2 HIS 12 HD2 HIS 12 16.469 -0.755 7.346 92 HE1 HIS 12 HE1 HIS 12 16.893 -3.636 10.385 93 H VAL 13 HN VAL 13 18.213 -2.542 4.325 94 HA VAL 13 HA VAL 13 16.928 -0.088 3.365 95 HB VAL 13 HB VAL 13 16.365 -1.316 1.368 96 1HG1 VAL 13 2HG1 VAL 13 18.525 -0.217 1.440 97 2HG1 VAL 13 1HG1 VAL 13 19.252 -1.694 2.072 98 3HG1 VAL 13 3HG1 VAL 13 18.590 -1.678 0.442 99 1HG2 VAL 13 3HG2 VAL 13 16.086 -3.550 2.303 100 2HG2 VAL 13 2HG2 VAL 13 17.190 -3.576 0.922 101 3HG2 VAL 13 1HG2 VAL 13 17.826 -3.645 2.569 102 H GLN 14 HN GLN 14 14.929 0.229 3.530 103 HA GLN 14 HA GLN 14 13.274 -1.939 4.647 104 1HB GLN 14 HB2 GLN 14 13.420 0.541 5.669 105 2HB GLN 14 HB1 GLN 14 12.217 0.843 4.415 106 1HG GLN 14 HG2 GLN 14 10.896 -1.071 5.355 107 2HG GLN 14 HG1 GLN 14 12.029 -1.118 6.697 108 1HE2 GLN 14 1HE2 GLN 14 10.676 1.651 5.054 109 2HE2 GLN 14 2HE2 GLN 14 9.875 2.338 6.417 110 H LEU 15 HN LEU 15 12.279 -2.968 3.102 111 HA LEU 15 HA LEU 15 11.791 -1.581 0.589 112 1HB LEU 15 HB2 LEU 15 11.771 -4.527 1.221 113 2HB LEU 15 HB1 LEU 15 11.573 -3.816 -0.365 114 HG LEU 15 HG LEU 15 14.057 -3.692 1.328 115 1HD1 LEU 15 3HD1 LEU 15 13.325 -5.371 -1.035 116 2HD1 LEU 15 2HD1 LEU 15 14.984 -5.087 -0.536 117 3HD1 LEU 15 1HD1 LEU 15 13.858 -5.904 0.563 118 1HD2 LEU 15 3HD2 LEU 15 13.565 -2.706 -1.483 119 2HD2 LEU 15 2HD2 LEU 15 13.871 -1.707 -0.060 120 3HD2 LEU 15 1HD2 LEU 15 15.136 -2.765 -0.681 121 H GLU 16 HN GLU 16 9.853 -0.798 0.424 122 HA GLU 16 HA GLU 16 7.604 -2.032 1.864 123 1HB GLU 16 HB2 GLU 16 7.736 0.565 0.332 124 2HB GLU 16 HB1 GLU 16 6.404 0.016 1.333 125 1HG GLU 16 HG2 GLU 16 7.752 0.234 3.313 126 2HG GLU 16 HG1 GLU 16 9.164 0.671 2.345 127 H LYS 17 HN LYS 17 6.235 -3.243 0.798 128 HA LYS 17 HA LYS 17 6.308 -3.240 -2.144 129 1HB LYS 17 HB2 LYS 17 5.012 -5.150 -0.187 130 2HB LYS 17 HB1 LYS 17 5.052 -5.352 -1.928 131 1HG LYS 17 HG2 LYS 17 7.540 -5.235 -0.251 132 2HG LYS 17 HG1 LYS 17 6.676 -6.736 -0.580 133 1HD LYS 17 HD2 LYS 17 7.007 -6.418 -2.970 134 2HD LYS 17 HD1 LYS 17 7.832 -4.884 -2.665 135 1HE LYS 17 HE2 LYS 17 9.610 -5.934 -1.593 136 2HE LYS 17 HE1 LYS 17 8.742 -7.468 -1.457 137 1HZ LYS 17 HZ1 LYS 17 9.706 -6.263 -4.013 138 2HZ LYS 17 HZ3 LYS 17 10.456 -7.507 -3.152 139 3HZ LYS 17 HZ2 LYS 17 8.940 -7.751 -3.815 140 H VAL 18 HN VAL 18 4.943 -1.590 -2.729 141 HA VAL 18 HA VAL 18 2.606 -1.171 -1.063 142 HB VAL 18 HB VAL 18 3.652 0.510 -3.360 143 1HG1 VAL 18 1HG1 VAL 18 1.230 0.757 -3.079 144 2HG1 VAL 18 3HG1 VAL 18 1.454 1.091 -1.361 145 3HG1 VAL 18 2HG1 VAL 18 2.072 2.220 -2.569 146 1HG2 VAL 18 2HG2 VAL 18 5.148 0.510 -1.432 147 2HG2 VAL 18 1HG2 VAL 18 4.346 2.076 -1.592 148 3HG2 VAL 18 3HG2 VAL 18 3.805 0.923 -0.372 149 H TYR 19 HN TYR 19 0.958 -2.320 -1.491 150 HA TYR 19 HA TYR 19 0.347 -3.186 -4.210 151 1HB TYR 19 HB2 TYR 19 -0.893 -3.868 -1.537 152 2HB TYR 19 HB1 TYR 19 -1.378 -4.553 -3.079 153 HD1 TYR 19 HD1 TYR 19 -0.254 -6.417 -3.959 154 HD2 TYR 19 HD2 TYR 19 1.399 -4.361 -0.627 155 HE1 TYR 19 HE1 TYR 19 1.325 -8.240 -3.642 156 HE2 TYR 19 HE2 TYR 19 3.006 -6.184 -0.309 157 HH TYR 19 HH TYR 19 3.540 -8.621 -2.608 158 H LEU 20 HN LEU 20 -1.948 -2.984 -4.866 159 HA LEU 20 HA LEU 20 -3.033 -0.352 -4.522 160 1HB LEU 20 HB2 LEU 20 -4.382 -2.882 -5.526 161 2HB LEU 20 HB1 LEU 20 -5.070 -1.287 -5.627 162 HG LEU 20 HG LEU 20 -3.293 -0.663 -7.261 163 1HD1 LEU 20 3HD1 LEU 20 -2.578 -3.584 -7.104 164 2HD1 LEU 20 2HD1 LEU 20 -1.991 -2.434 -8.307 165 3HD1 LEU 20 1HD1 LEU 20 -1.551 -2.237 -6.606 166 1HD2 LEU 20 2HD2 LEU 20 -4.931 -3.093 -7.922 167 2HD2 LEU 20 1HD2 LEU 20 -5.466 -1.415 -7.986 168 3HD2 LEU 20 3HD2 LEU 20 -4.217 -1.983 -9.095 169 H ASP 21 HN ASP 21 -3.390 -3.400 -3.269 170 HA ASP 21 HA ASP 21 -5.668 -3.909 -1.997 171 1HB ASP 21 HB2 ASP 21 -3.629 -5.235 -2.297 172 2HB ASP 21 HB1 ASP 21 -2.905 -4.345 -0.976 173 H GLY 22 HN GLY 22 -2.963 -2.093 -0.594 174 1HA GLY 22 HA1 GLY 22 -4.768 -1.271 1.584 175 2HA GLY 22 HA2 GLY 22 -3.489 -0.246 0.935 176 H ASP 23 HN ASP 23 -3.181 -3.674 1.483 177 HA ASP 23 HA ASP 23 -1.557 -3.203 3.822 178 1HB ASP 23 HB2 ASP 23 -2.991 -5.195 3.821 179 2HB ASP 23 HB1 ASP 23 -2.265 -5.753 2.326 180 H VAL 24 HN VAL 24 0.622 -3.249 3.839 181 HA VAL 24 HA VAL 24 1.973 -3.727 1.315 182 HB VAL 24 HB VAL 24 2.114 -1.430 1.179 183 1HG1 VAL 24 1HG1 VAL 24 2.253 -1.287 4.184 184 2HG1 VAL 24 3HG1 VAL 24 2.217 0.109 3.086 185 3HG1 VAL 24 2HG1 VAL 24 0.841 -1.003 3.158 186 1HG2 VAL 24 3HG2 VAL 24 4.407 -1.992 3.056 187 2HG2 VAL 24 2HG2 VAL 24 4.425 -2.171 1.302 188 3HG2 VAL 24 1HG2 VAL 24 4.263 -0.569 2.022 189 H SER 25 HN SER 25 3.681 -4.906 1.422 190 HA SER 25 HA SER 25 4.323 -6.038 3.976 191 1HB SER 25 HB2 SER 25 4.110 -7.500 1.996 192 2HB SER 25 HB1 SER 25 5.442 -6.648 1.222 193 HG SER 25 HG SER 25 5.438 -8.495 3.289 194 H ILE 26 HN ILE 26 5.824 -5.398 5.214 195 HA ILE 26 HA ILE 26 7.793 -3.521 4.172 196 HB ILE 26 HB ILE 26 6.942 -4.057 7.030 197 1HG1 ILE 26 2HG1 ILE 26 5.187 -2.882 5.825 198 2HG1 ILE 26 1HG1 ILE 26 5.963 -1.782 6.959 199 1HG2 ILE 26 1HG2 ILE 26 9.278 -3.378 6.874 200 2HG2 ILE 26 3HG2 ILE 26 8.812 -1.959 5.933 201 3HG2 ILE 26 2HG2 ILE 26 8.300 -2.110 7.613 202 1HD1 ILE 26 2HD1 ILE 26 7.243 -0.816 5.112 203 2HD1 ILE 26 1HD1 ILE 26 6.416 -1.926 4.003 204 3HD1 ILE 26 3HD1 ILE 26 5.498 -0.685 4.858 205 H GLU 27 HN GLU 27 9.605 -4.382 3.732 206 HA GLU 27 HA GLU 27 10.530 -6.761 5.174 207 1HB GLU 27 HB2 GLU 27 10.135 -7.236 2.877 208 2HB GLU 27 HB1 GLU 27 10.953 -5.780 2.355 209 1HG GLU 27 HG2 GLU 27 12.394 -7.575 1.900 210 2HG GLU 27 HG1 GLU 27 13.048 -6.742 3.290 211 H HIS 28 HN HIS 28 12.701 -6.800 5.740 212 HA HIS 28 HA HIS 28 14.160 -4.269 5.586 213 1HB HIS 28 HB2 HIS 28 13.815 -5.942 8.082 214 2HB HIS 28 HB1 HIS 28 15.049 -4.707 7.907 215 HD1 HIS 28 HD1 HIS 28 14.356 -2.612 9.064 216 HD2 HIS 28 HD2 HIS 28 11.210 -4.678 7.407 217 HE1 HIS 28 HE1 HIS 28 12.296 -1.325 9.738 218 H LYS 29 HN LYS 29 15.900 -4.640 4.636 219 HA LYS 29 HA LYS 29 17.272 -7.215 5.057 220 1HB LYS 29 HB2 LYS 29 17.260 -5.558 2.567 221 2HB LYS 29 HB1 LYS 29 18.329 -6.905 2.838 222 1HG LYS 29 HG2 LYS 29 15.997 -8.187 3.088 223 2HG LYS 29 HG1 LYS 29 15.460 -6.800 2.156 224 1HD LYS 29 HD2 LYS 29 17.830 -8.429 1.478 225 2HD LYS 29 HD1 LYS 29 16.237 -8.713 0.731 226 1HE LYS 29 HE2 LYS 29 16.329 -6.348 -0.100 227 2HE LYS 29 HE1 LYS 29 17.948 -6.202 0.572 228 1HZ LYS 29 HZ3 LYS 29 17.131 -8.070 -1.595 229 2HZ LYS 29 HZ2 LYS 29 17.980 -6.627 -1.785 230 3HZ LYS 29 HZ1 LYS 29 18.694 -7.907 -0.979 231 H HIS 30 HN HIS 30 19.466 -7.107 4.962 232 HA HIS 30 HA HIS 30 20.585 -4.429 5.026 233 1HB HIS 30 HB2 HIS 30 22.287 -5.094 6.683 234 2HB HIS 30 HB1 HIS 30 20.679 -5.281 7.350 235 HD1 HIS 30 HD1 HIS 30 20.089 -7.642 8.244 236 HD2 HIS 30 HD2 HIS 30 23.681 -7.501 6.159 237 HE1 HIS 30 HE1 HIS 30 21.212 -9.843 8.650 238 H GLU 31 HN GLU 31 21.904 -4.112 3.364 239 HA GLU 31 HA GLU 31 23.342 -6.469 2.470 240 1HB GLU 31 HB2 GLU 31 22.943 -5.888 0.115 241 2HB GLU 31 HB1 GLU 31 21.469 -6.214 1.009 242 1HG GLU 31 HG2 GLU 31 21.103 -3.784 1.208 243 2HG GLU 31 HG1 GLU 31 22.484 -3.558 0.126 244 H LYS 32 HN LYS 32 25.352 -6.214 1.846 245 HA LYS 32 HA LYS 32 26.542 -3.666 2.547 246 1HB LYS 32 HB2 LYS 32 27.611 -6.413 2.160 247 2HB LYS 32 HB1 LYS 32 28.672 -5.058 2.439 248 1HG LYS 32 HG2 LYS 32 27.574 -4.661 4.569 249 2HG LYS 32 HG1 LYS 32 26.570 -6.084 4.365 250 1HD LYS 32 HD2 LYS 32 29.567 -5.888 4.685 251 2HD LYS 32 HD1 LYS 32 28.422 -6.773 5.689 252 1HE LYS 32 HE2 LYS 32 27.958 -8.245 3.705 253 2HE LYS 32 HE1 LYS 32 29.233 -7.335 2.885 254 1HZ LYS 32 HZ1 LYS 32 29.667 -8.964 5.338 255 2HZ LYS 32 HZ3 LYS 32 30.031 -9.446 3.778 256 3HZ LYS 32 HZ2 LYS 32 30.853 -8.157 4.454 257 H VAL 33 HN VAL 33 26.935 -2.308 0.987 258 HA VAL 33 HA VAL 33 27.556 -3.426 -1.673 259 HB VAL 33 HB VAL 33 26.114 -2.072 -2.700 260 1HG1 VAL 33 3HG1 VAL 33 25.152 -1.617 0.043 261 2HG1 VAL 33 2HG1 VAL 33 24.255 -1.165 -1.395 262 3HG1 VAL 33 1HG1 VAL 33 24.619 -2.892 -1.074 263 1HG2 VAL 33 1HG2 VAL 33 27.447 -0.047 -2.402 264 2HG2 VAL 33 3HG2 VAL 33 25.714 0.234 -2.387 265 3HG2 VAL 33 2HG2 VAL 33 26.620 0.268 -0.858 266 H PHE 34 HN PHE 34 29.300 -2.573 -2.806 267 HA PHE 34 HA PHE 34 31.121 -1.017 -1.169 268 1HB PHE 34 HB2 PHE 34 31.413 -2.460 -3.782 269 2HB PHE 34 HB1 PHE 34 32.691 -1.458 -3.109 270 HD1 PHE 34 HD1 PHE 34 30.513 -4.353 -2.249 271 HD2 PHE 34 HD2 PHE 34 34.249 -2.419 -1.695 272 HE1 PHE 34 HE1 PHE 34 31.338 -6.314 -1.017 273 HE2 PHE 34 HE2 PHE 34 35.073 -4.358 -0.437 274 HZ PHE 34 HZ PHE 34 33.621 -6.314 -0.099 275 H SER 35 HN SER 35 29.357 -0.831 -4.225 276 HA SER 35 HA SER 35 30.045 1.973 -4.403 277 1HB SER 35 HB2 SER 35 30.780 0.608 -6.324 278 2HB SER 35 HB1 SER 35 29.132 0.002 -6.506 279 HG SER 35 HG SER 35 30.231 2.440 -7.185 280 H MET 36 HN MET 36 28.436 3.172 -3.712 281 HA MET 36 HA MET 36 25.815 2.193 -3.231 282 1HB MET 36 HB2 MET 36 27.004 4.949 -3.299 283 2HB MET 36 HB1 MET 36 25.276 4.733 -3.126 284 1HG MET 36 HG2 MET 36 26.646 3.057 -1.234 285 2HG MET 36 HG1 MET 36 27.222 4.744 -1.143 286 1HE MET 36 HE2 MET 36 23.830 3.516 -2.338 287 2HE MET 36 HE1 MET 36 23.966 2.397 -0.990 288 3HE MET 36 HE3 MET 36 22.749 3.702 -0.967 289 H ASP 37 HN ASP 37 27.438 3.549 -5.816 290 HA ASP 37 HA ASP 37 25.308 4.475 -7.433 291 1HB ASP 37 HB2 ASP 37 27.650 5.103 -7.855 292 2HB ASP 37 HB1 ASP 37 28.032 3.435 -8.257 293 H ASP 38 HN ASP 38 26.834 1.328 -7.018 294 HA ASP 38 HA ASP 38 25.404 0.030 -9.135 295 1HB ASP 38 HB2 ASP 38 27.500 -0.928 -8.112 296 2HB ASP 38 HB1 ASP 38 26.571 -1.178 -6.639 297 H PHE 39 HN PHE 39 24.972 0.442 -5.673 298 HA PHE 39 HA PHE 39 22.804 -1.172 -5.275 299 1HB PHE 39 HB2 PHE 39 24.080 -0.307 -3.471 300 2HB PHE 39 HB1 PHE 39 23.673 1.352 -3.894 301 HD1 PHE 39 HD1 PHE 39 22.552 -1.725 -2.261 302 HD2 PHE 39 HD2 PHE 39 21.498 2.212 -3.392 303 HE1 PHE 39 HE1 PHE 39 20.669 -1.793 -0.685 304 HE2 PHE 39 HE2 PHE 39 19.601 2.154 -1.836 305 HZ PHE 39 HZ PHE 39 19.183 0.162 -0.488 306 H TRP 40 HN TRP 40 23.009 2.271 -6.186 307 HA TRP 40 HA TRP 40 20.242 2.813 -6.202 308 1HB TRP 40 HB2 TRP 40 22.396 4.159 -7.839 309 2HB TRP 40 HB1 TRP 40 20.779 4.793 -7.571 310 HD1 TRP 40 HD1 TRP 40 23.978 5.695 -6.553 311 HE1 TRP 40 HE1 TRP 40 24.153 6.520 -4.120 312 HE3 TRP 40 HE3 TRP 40 19.507 3.978 -4.743 313 HZ2 TRP 40 HZ2 TRP 40 22.626 6.458 -1.790 314 HZ3 TRP 40 HZ3 TRP 40 18.962 4.406 -2.410 315 HH2 TRP 40 HH2 TRP 40 20.469 5.621 -0.970 316 H ALA 41 HN ALA 41 22.385 1.571 -8.594 317 HA ALA 41 HA ALA 41 20.490 1.636 -10.737 318 1HB ALA 41 HB1 ALA 41 22.068 0.199 -11.933 319 2HB ALA 41 HB3 ALA 41 22.915 1.535 -11.151 320 3HB ALA 41 HB2 ALA 41 22.958 -0.078 -10.437 321 H ALA 42 HN ALA 42 21.309 -0.633 -8.243 322 HA ALA 42 HA ALA 42 19.895 -2.846 -9.273 323 1HB ALA 42 HB3 ALA 42 20.656 -2.198 -6.434 324 2HB ALA 42 HB1 ALA 42 21.671 -3.034 -7.604 325 3HB ALA 42 HB2 ALA 42 20.174 -3.785 -7.042 326 H TYR 43 HN TYR 43 18.982 -0.166 -7.131 327 HA TYR 43 HA TYR 43 16.240 -1.234 -7.109 328 1HB TYR 43 HB2 TYR 43 17.635 0.620 -5.184 329 2HB TYR 43 HB1 TYR 43 15.922 0.253 -5.134 330 HD1 TYR 43 HD1 TYR 43 19.283 -1.162 -4.593 331 HD2 TYR 43 HD2 TYR 43 15.101 -1.851 -4.401 332 HE1 TYR 43 HE1 TYR 43 19.672 -3.214 -3.280 333 HE2 TYR 43 HE2 TYR 43 15.474 -3.888 -3.106 334 HH TYR 43 HH TYR 43 18.464 -4.619 -1.729 335 H ALA 44 HN ALA 44 17.754 0.582 -9.087 336 HA ALA 44 HA ALA 44 16.824 3.053 -9.280 337 1HB ALA 44 HB1 ALA 44 18.273 1.968 -10.920 338 2HB ALA 44 HB3 ALA 44 16.879 1.118 -11.586 339 3HB ALA 44 HB2 ALA 44 16.975 2.877 -11.688 340 H GLY 45 HN GLY 45 14.882 0.176 -9.991 341 1HA GLY 45 HA1 GLY 45 12.706 -0.083 -10.638 342 2HA GLY 45 HA2 GLY 45 12.685 1.604 -11.130 343 H TRP 46 HN TRP 46 13.525 0.716 -7.845 344 HA TRP 46 HA TRP 46 10.925 0.993 -6.725 345 1HB TRP 46 HB2 TRP 46 13.668 1.197 -5.458 346 2HB TRP 46 HB1 TRP 46 12.148 1.028 -4.598 347 HD1 TRP 46 HD1 TRP 46 14.125 -1.014 -7.242 348 HE1 TRP 46 HE1 TRP 46 13.956 -3.496 -6.599 349 HE3 TRP 46 HE3 TRP 46 11.234 -0.560 -3.073 350 HZ2 TRP 46 HZ2 TRP 46 12.765 -5.044 -4.592 351 HZ3 TRP 46 HZ3 TRP 46 10.631 -2.587 -1.841 352 HH2 TRP 46 HH2 TRP 46 11.383 -4.787 -2.597 353 H THR 47 HN THR 47 10.277 2.808 -5.356 354 HA THR 47 HA THR 47 11.263 5.365 -6.241 355 HB THR 47 HB THR 47 9.087 4.548 -4.311 356 HG1 THR 47 HG1 THR 47 9.205 4.668 -7.023 357 1HG2 THR 47 2HG2 THR 47 9.903 6.779 -3.894 358 2HG2 THR 47 1HG2 THR 47 9.645 7.223 -5.591 359 3HG2 THR 47 3HG2 THR 47 8.265 6.830 -4.545 360 H LEU 48 HN LEU 48 12.887 6.350 -5.109 361 HA LEU 48 HA LEU 48 13.738 5.353 -2.553 362 1HB LEU 48 HB2 LEU 48 15.298 6.164 -4.360 363 2HB LEU 48 HB1 LEU 48 14.650 7.767 -4.151 364 HG LEU 48 HG LEU 48 16.951 7.324 -3.187 365 1HD1 LEU 48 2HD1 LEU 48 15.713 9.276 -2.483 366 2HD1 LEU 48 1HD1 LEU 48 14.909 8.331 -1.221 367 3HD1 LEU 48 3HD1 LEU 48 16.658 8.581 -1.164 368 1HD2 LEU 48 2HD2 LEU 48 16.552 5.135 -2.265 369 2HD2 LEU 48 1HD2 LEU 48 17.088 6.264 -1.017 370 3HD2 LEU 48 3HD2 LEU 48 15.388 5.810 -1.119 371 H VAL 49 HN VAL 49 12.579 5.874 -0.824 372 HA VAL 49 HA VAL 49 11.049 8.324 -0.915 373 HB VAL 49 HB VAL 49 11.015 6.203 1.292 374 1HG1 VAL 49 2HG1 VAL 49 9.167 8.504 0.740 375 2HG1 VAL 49 1HG1 VAL 49 8.945 7.242 1.956 376 3HG1 VAL 49 3HG1 VAL 49 10.315 8.344 2.080 377 1HG2 VAL 49 3HG2 VAL 49 9.155 6.644 -1.028 378 2HG2 VAL 49 2HG2 VAL 49 10.294 5.310 -0.846 379 3HG2 VAL 49 1HG2 VAL 49 8.943 5.473 0.274 380 H GLU 50 HN GLU 50 13.546 6.807 1.085 381 HA GLU 50 HA GLU 50 14.791 9.322 1.291 382 1HB GLU 50 HB2 GLU 50 14.994 9.399 3.754 383 2HB GLU 50 HB1 GLU 50 13.336 9.748 3.198 384 1HG GLU 50 HG2 GLU 50 12.736 7.514 3.897 385 2HG GLU 50 HG1 GLU 50 14.409 7.189 4.385 386 H GLN 51 HN GLN 51 16.786 9.201 2.326 387 HA GLN 51 HA GLN 51 17.731 6.597 3.034 388 1HB GLN 51 HB2 GLN 51 19.749 6.877 1.660 389 2HB GLN 51 HB1 GLN 51 18.267 6.781 0.705 390 1HG GLN 51 HG2 GLN 51 18.299 9.135 0.319 391 2HG GLN 51 HG1 GLN 51 19.698 9.326 1.376 392 1HE2 GLN 51 1HE2 GLN 51 18.548 8.048 -1.601 393 2HE2 GLN 51 2HE2 GLN 51 20.089 7.836 -2.354 394 H LYS 52 HN LYS 52 19.398 6.694 4.377 395 HA LYS 52 HA LYS 52 20.466 9.241 5.198 396 1HB LYS 52 HB2 LYS 52 19.991 8.479 7.624 397 2HB LYS 52 HB1 LYS 52 18.658 9.204 6.722 398 1HG LYS 52 HG2 LYS 52 18.447 6.587 6.121 399 2HG LYS 52 HG1 LYS 52 18.917 6.495 7.844 400 1HD LYS 52 HD2 LYS 52 16.560 7.882 6.524 401 2HD LYS 52 HD1 LYS 52 16.507 6.474 7.565 402 1HE LYS 52 HE2 LYS 52 17.209 7.841 9.461 403 2HE LYS 52 HE1 LYS 52 17.286 9.263 8.417 404 1HZ LYS 52 HZ3 LYS 52 14.896 8.860 7.901 405 2HZ LYS 52 HZ2 LYS 52 14.884 7.659 9.061 406 3HZ LYS 52 HZ1 LYS 52 15.153 9.249 9.538 407 H LYS 53 HN LYS 53 22.226 8.689 6.958 408 HA LYS 53 HA LYS 53 24.033 7.035 5.570 409 1HB LYS 53 HB2 LYS 53 24.683 9.001 6.950 410 2HB LYS 53 HB1 LYS 53 24.303 8.075 8.392 411 1HG LYS 53 HG2 LYS 53 26.690 8.080 8.018 412 2HG LYS 53 HG1 LYS 53 26.054 6.449 7.790 413 1HD LYS 53 HD2 LYS 53 26.073 6.782 5.356 414 2HD LYS 53 HD1 LYS 53 26.690 8.420 5.587 415 1HE LYS 53 HE2 LYS 53 28.073 5.883 6.427 416 2HE LYS 53 HE1 LYS 53 28.445 6.803 4.971 417 1HZ LYS 53 HZ2 LYS 53 29.059 8.678 6.385 418 2HZ LYS 53 HZ1 LYS 53 28.731 7.782 7.768 419 3HZ LYS 53 HZ3 LYS 53 29.985 7.311 6.743 420 H GLY 54 HN GLY 54 23.438 4.981 5.380 421 1HA GLY 54 HA1 GLY 54 23.513 3.384 7.848 422 2HA GLY 54 HA2 GLY 54 24.126 2.843 6.296 423 H TYR 55 HN TYR 55 21.056 4.537 6.120 424 HA TYR 55 HA TYR 55 19.761 1.970 5.786 425 1HB TYR 55 HB2 TYR 55 19.134 2.538 7.989 426 2HB TYR 55 HB1 TYR 55 19.049 4.246 7.621 427 HD1 TYR 55 HD1 TYR 55 17.220 4.997 6.215 428 HD2 TYR 55 HD2 TYR 55 17.191 1.203 7.985 429 HE1 TYR 55 HE1 TYR 55 14.758 4.968 5.981 430 HE2 TYR 55 HE2 TYR 55 14.726 1.079 7.772 431 HH TYR 55 HH TYR 55 12.956 3.297 5.879 432 H VAL 56 HN VAL 56 18.404 1.941 4.083 433 HA VAL 56 HA VAL 56 17.736 4.481 2.819 434 HB VAL 56 HB VAL 56 18.644 1.955 1.395 435 1HG1 VAL 56 2HG1 VAL 56 16.782 3.018 0.216 436 2HG1 VAL 56 1HG1 VAL 56 17.639 4.558 0.255 437 3HG1 VAL 56 3HG1 VAL 56 18.287 3.215 -0.684 438 1HG2 VAL 56 1HG2 VAL 56 20.472 3.396 2.263 439 2HG2 VAL 56 3HG2 VAL 56 20.434 3.320 0.499 440 3HG2 VAL 56 2HG2 VAL 56 19.802 4.740 1.311 441 H LEU 57 HN LEU 57 15.666 4.663 2.153 442 HA LEU 57 HA LEU 57 13.910 2.397 2.626 443 1HB LEU 57 HB2 LEU 57 13.361 4.045 4.179 444 2HB LEU 57 HB1 LEU 57 13.640 5.345 3.043 445 HG LEU 57 HG LEU 57 11.609 4.681 1.837 446 1HD1 LEU 57 3HD1 LEU 57 11.511 2.388 2.389 447 2HD1 LEU 57 2HD1 LEU 57 11.053 2.857 4.061 448 3HD1 LEU 57 1HD1 LEU 57 10.050 3.353 2.668 449 1HD2 LEU 57 1HD2 LEU 57 11.328 5.380 4.736 450 2HD2 LEU 57 3HD2 LEU 57 11.314 6.469 3.337 451 3HD2 LEU 57 2HD2 LEU 57 9.985 5.355 3.605 452 H PHE 58 HN PHE 58 13.326 1.499 0.836 453 HA PHE 58 HA PHE 58 12.652 3.098 -1.552 454 1HB PHE 58 HB2 PHE 58 14.226 0.584 -1.292 455 2HB PHE 58 HB1 PHE 58 13.121 0.703 -2.644 456 HD1 PHE 58 HD1 PHE 58 13.354 2.811 -4.087 457 HD2 PHE 58 HD2 PHE 58 16.379 1.369 -1.509 458 HE1 PHE 58 HE1 PHE 58 15.026 4.011 -5.412 459 HE2 PHE 58 HE2 PHE 58 18.072 2.565 -2.848 460 HZ PHE 58 HZ PHE 58 17.392 3.884 -4.797 461 H ARG 59 HN ARG 59 10.776 2.660 -2.518 462 HA ARG 59 HA ARG 59 9.274 0.374 -1.485 463 1HB ARG 59 HB2 ARG 59 7.182 1.628 -1.763 464 2HB ARG 59 HB1 ARG 59 8.271 2.368 -0.595 465 1HG ARG 59 HG2 ARG 59 8.900 4.034 -2.231 466 2HG ARG 59 HG1 ARG 59 7.843 3.244 -3.415 467 1HD ARG 59 HD2 ARG 59 6.882 5.238 -2.276 468 2HD ARG 59 HD1 ARG 59 5.900 3.774 -2.180 469 HE ARG 59 HE ARG 59 7.405 3.712 0.111 470 1HH1 ARG 59 1HH1 ARG 59 5.387 6.301 -1.225 471 2HH1 ARG 59 2HH1 ARG 59 4.812 6.776 0.296 472 1HH2 ARG 59 1HH2 ARG 59 6.681 4.317 2.072 473 2HH2 ARG 59 2HH2 ARG 59 5.582 5.613 2.292 474 H LYS 60 HN LYS 60 8.193 -0.824 -2.868 475 HA LYS 60 HA LYS 60 8.299 -0.093 -5.698 476 1HB LYS 60 HB2 LYS 60 9.972 -1.770 -5.356 477 2HB LYS 60 HB1 LYS 60 8.881 -2.769 -4.399 478 1HG LYS 60 HG2 LYS 60 9.008 -3.867 -6.441 479 2HG LYS 60 HG1 LYS 60 7.535 -2.920 -6.615 480 1HD LYS 60 HD2 LYS 60 8.827 -2.747 -8.649 481 2HD LYS 60 HD1 LYS 60 8.875 -1.195 -7.806 482 1HE LYS 60 HE2 LYS 60 11.061 -1.510 -7.065 483 2HE LYS 60 HE1 LYS 60 11.068 -3.220 -7.420 484 1HZ LYS 60 HZ3 LYS 60 10.950 -1.041 -9.457 485 2HZ LYS 60 HZ2 LYS 60 12.300 -2.028 -9.107 486 3HZ LYS 60 HZ1 LYS 60 10.930 -2.686 -9.764 487 H GLN 61 HN GLN 61 6.488 -0.230 -6.682 488 HA GLN 61 HA GLN 61 4.243 -1.318 -5.175 489 1HB GLN 61 HB2 GLN 61 3.639 0.788 -7.117 490 2HB GLN 61 HB1 GLN 61 3.136 0.646 -5.436 491 1HG GLN 61 HG2 GLN 61 5.546 1.316 -4.869 492 2HG GLN 61 HG1 GLN 61 5.672 1.840 -6.528 493 1HE2 GLN 61 1HE2 GLN 61 4.638 2.421 -3.504 494 2HE2 GLN 61 2HE2 GLN 61 3.887 3.991 -3.691 495 H MET 62 HN MET 62 3.603 -3.064 -6.096 496 HA MET 62 HA MET 62 3.869 -3.415 -8.974 497 1HB MET 62 HB2 MET 62 3.493 -5.421 -6.730 498 2HB MET 62 HB1 MET 62 3.446 -5.839 -8.435 499 1HG MET 62 HG2 MET 62 5.708 -5.272 -8.757 500 2HG MET 62 HG1 MET 62 5.801 -4.460 -7.199 501 1HE MET 62 HE2 MET 62 6.139 -5.616 -4.927 502 2HE MET 62 HE1 MET 62 4.556 -6.387 -5.084 503 3HE MET 62 HE3 MET 62 5.981 -7.332 -4.632 504 H ASP 63 HN ASP 63 1.927 -5.078 -9.674 505 HA ASP 63 HA ASP 63 -0.363 -3.346 -9.145 506 1HB ASP 63 HB2 ASP 63 -1.255 -3.975 -11.318 507 2HB ASP 63 HB1 ASP 63 0.380 -3.343 -11.461 508 H ASP 64 HN ASP 64 0.558 -6.246 -8.059 509 HA ASP 64 HA ASP 64 -2.121 -7.427 -8.211 510 1HB ASP 64 HB2 ASP 64 -0.068 -8.915 -8.442 511 2HB ASP 64 HB1 ASP 64 0.338 -8.525 -6.781 512 H ILE 65 HN ILE 65 -2.973 -8.258 -6.069 513 HA ILE 65 HA ILE 65 -2.607 -6.164 -4.059 514 HB ILE 65 HB ILE 65 -4.876 -6.741 -3.200 515 1HG1 ILE 65 2HG1 ILE 65 -4.933 -8.615 -5.583 516 2HG1 ILE 65 1HG1 ILE 65 -5.011 -9.033 -3.874 517 1HG2 ILE 65 1HG2 ILE 65 -4.802 -6.001 -6.117 518 2HG2 ILE 65 3HG2 ILE 65 -6.177 -5.756 -5.039 519 3HG2 ILE 65 2HG2 ILE 65 -4.662 -4.905 -4.743 520 1HD1 ILE 65 2HD1 ILE 65 -7.154 -7.516 -5.367 521 2HD1 ILE 65 1HD1 ILE 65 -7.204 -9.224 -4.982 522 3HD1 ILE 65 3HD1 ILE 65 -7.205 -8.039 -3.684 523 H SER 66 HN SER 66 -3.328 -7.292 -1.721 524 HA SER 66 HA SER 66 -1.028 -8.958 -1.383 525 1HB SER 66 HB2 SER 66 -3.052 -8.158 0.676 526 2HB SER 66 HB1 SER 66 -1.409 -8.713 0.962 527 HG SER 66 HG SER 66 -2.293 -6.261 0.509 528 HA PRO 67 HA PRO 67 -2.919 -12.858 -1.770 529 1HB PRO 67 HB2 PRO 67 -1.352 -14.307 -0.015 530 2HB PRO 67 HB1 PRO 67 -0.896 -13.914 -1.673 531 1HG PRO 67 HG2 PRO 67 -0.058 -12.648 0.881 532 2HG PRO 67 HG1 PRO 67 0.862 -12.874 -0.613 533 1HD PRO 67 HD2 PRO 67 -0.227 -10.498 0.155 534 2HD PRO 67 HD1 PRO 67 0.025 -10.902 -1.542 535 H LEU 68 HN LEU 68 -2.300 -11.843 1.555 536 HA LEU 68 HA LEU 68 -4.185 -13.703 2.627 537 1HB LEU 68 HB2 LEU 68 -2.046 -12.526 3.699 538 2HB LEU 68 HB1 LEU 68 -3.229 -11.329 4.168 539 HG LEU 68 HG LEU 68 -2.724 -12.925 5.977 540 1HD1 LEU 68 1HD1 LEU 68 -4.939 -11.883 5.956 541 2HD1 LEU 68 3HD1 LEU 68 -5.546 -13.231 4.989 542 3HD1 LEU 68 2HD1 LEU 68 -4.979 -13.515 6.629 543 1HD2 LEU 68 3HD2 LEU 68 -2.223 -14.856 4.588 544 2HD2 LEU 68 2HD2 LEU 68 -3.429 -15.245 5.818 545 3HD2 LEU 68 1HD2 LEU 68 -3.924 -14.994 4.148 546 H SER 69 HN SER 69 -4.232 -10.330 1.633 547 HA SER 69 HA SER 69 -6.716 -9.688 2.743 548 1HB SER 69 HB2 SER 69 -5.468 -8.612 0.226 549 2HB SER 69 HB1 SER 69 -6.656 -7.808 1.253 550 HG SER 69 HG SER 69 -4.620 -7.054 1.650 551 H LYS 70 HN LYS 70 -5.786 -11.330 -0.249 552 HA LYS 70 HA LYS 70 -8.326 -11.423 -1.438 553 1HB LYS 70 HB2 LYS 70 -6.144 -13.504 -1.595 554 2HB LYS 70 HB1 LYS 70 -7.456 -13.271 -2.744 555 1HG LYS 70 HG2 LYS 70 -6.582 -11.116 -3.356 556 2HG LYS 70 HG1 LYS 70 -5.305 -11.268 -2.150 557 1HD LYS 70 HD2 LYS 70 -4.490 -13.267 -3.343 558 2HD LYS 70 HD1 LYS 70 -5.691 -12.973 -4.608 559 1HE LYS 70 HE2 LYS 70 -4.738 -10.682 -4.794 560 2HE LYS 70 HE1 LYS 70 -3.429 -11.199 -3.747 561 1HZ LYS 70 HZ3 LYS 70 -2.840 -12.902 -5.395 562 2HZ LYS 70 HZ2 LYS 70 -4.079 -12.372 -6.397 563 3HZ LYS 70 HZ1 LYS 70 -2.785 -11.349 -6.065 564 H VAL 71 HN VAL 71 -7.051 -13.110 1.311 565 HA VAL 71 HA VAL 71 -9.121 -15.164 1.092 566 HB VAL 71 HB VAL 71 -7.920 -16.562 2.539 567 1HG1 VAL 71 2HG1 VAL 71 -6.742 -16.322 0.476 568 2HG1 VAL 71 1HG1 VAL 71 -5.840 -14.965 1.175 569 3HG1 VAL 71 3HG1 VAL 71 -5.602 -16.592 1.811 570 1HG2 VAL 71 3HG2 VAL 71 -7.590 -15.039 4.421 571 2HG2 VAL 71 2HG2 VAL 71 -6.103 -15.912 4.039 572 3HG2 VAL 71 1HG2 VAL 71 -6.308 -14.235 3.517 573 H ASN 72 HN ASN 72 -8.084 -12.579 3.159 574 HA ASN 72 HA ASN 72 -10.444 -13.049 4.882 575 1HB ASN 72 HB2 ASN 72 -8.575 -13.431 6.236 576 2HB ASN 72 HB1 ASN 72 -7.693 -12.062 5.577 577 1HD2 ASN 72 1HD2 ASN 72 -10.210 -13.067 7.776 578 2HD2 ASN 72 2HD2 ASN 72 -10.232 -11.605 8.693 579 H GLY 73 HN GLY 73 -9.172 -10.823 2.716 580 1HA GLY 73 HA1 GLY 73 -9.515 -8.676 2.213 581 2HA GLY 73 HA2 GLY 73 -9.632 -8.376 3.931 582 H TYR 74 HN TYR 74 -11.053 -6.728 3.381 583 HA TYR 74 HA TYR 74 -13.687 -7.074 2.425 584 1HB TYR 74 HB2 TYR 74 -13.033 -6.874 5.374 585 2HB TYR 74 HB1 TYR 74 -14.475 -6.153 4.689 586 HD1 TYR 74 HD1 TYR 74 -16.118 -7.639 3.572 587 HD2 TYR 74 HD2 TYR 74 -13.002 -9.171 5.977 588 HE1 TYR 74 HE1 TYR 74 -17.383 -9.661 3.841 589 HE2 TYR 74 HE2 TYR 74 -14.256 -11.263 6.280 590 HH TYR 74 HH TYR 74 -16.844 -12.075 4.368 591 H ILE 75 HN ILE 75 -13.835 -5.397 1.406 592 HA ILE 75 HA ILE 75 -12.281 -3.091 2.060 593 HB ILE 75 HB ILE 75 -14.497 -3.640 0.152 594 1HG1 ILE 75 2HG1 ILE 75 -11.620 -3.011 -0.339 595 2HG1 ILE 75 1HG1 ILE 75 -12.283 -4.635 -0.241 596 1HG2 ILE 75 2HG2 ILE 75 -14.603 -1.224 0.787 597 2HG2 ILE 75 1HG2 ILE 75 -12.885 -1.048 0.435 598 3HG2 ILE 75 3HG2 ILE 75 -14.026 -1.367 -0.873 599 1HD1 ILE 75 2HD1 ILE 75 -13.679 -4.111 -2.265 600 2HD1 ILE 75 1HD1 ILE 75 -12.959 -2.518 -2.327 601 3HD1 ILE 75 3HD1 ILE 75 -11.959 -3.936 -2.597 602 H GLY 76 HN GLY 76 -12.793 -1.856 3.593 603 1HA GLY 76 HA1 GLY 76 -13.987 -1.875 5.682 604 2HA GLY 76 HA2 GLY 76 -15.463 -2.073 4.742 605 H VAL 77 HN VAL 77 -16.491 -0.411 4.174 606 HA VAL 77 HA VAL 77 -15.094 2.104 4.388 607 HB VAL 77 HB VAL 77 -17.547 1.431 2.815 608 1HG1 VAL 77 1HG1 VAL 77 -16.117 4.085 3.053 609 2HG1 VAL 77 3HG1 VAL 77 -17.425 3.740 1.920 610 3HG1 VAL 77 2HG1 VAL 77 -17.730 3.723 3.661 611 1HG2 VAL 77 3HG2 VAL 77 -14.752 2.120 1.995 612 2HG2 VAL 77 2HG2 VAL 77 -15.581 0.590 1.754 613 3HG2 VAL 77 1HG2 VAL 77 -16.095 2.022 0.860 614 H SER 78 HN SER 78 -15.670 3.471 5.764 615 HA SER 78 HA SER 78 -17.745 2.633 7.644 616 1HB SER 78 HB2 SER 78 -15.564 4.700 7.985 617 2HB SER 78 HB1 SER 78 -16.584 3.999 9.244 618 HG SER 78 HG SER 78 -15.392 2.090 7.787 619 H ASP 79 HN ASP 79 -18.948 4.568 8.658 620 HA ASP 79 HA ASP 79 -20.697 5.648 6.848 621 1HB ASP 79 HB2 ASP 79 -21.199 5.482 9.213 622 2HB ASP 79 HB1 ASP 79 -19.999 6.709 9.584 623 H ASN 80 HN ASN 80 -17.750 7.169 7.965 624 HA ASN 80 HA ASN 80 -18.369 9.660 6.642 625 1HB ASN 80 HB2 ASN 80 -15.890 8.710 8.068 626 2HB ASN 80 HB1 ASN 80 -15.984 10.271 7.263 627 1HD2 ASN 80 1HD2 ASN 80 -16.989 8.396 9.981 628 2HD2 ASN 80 2HD2 ASN 80 -17.709 9.684 10.862 629 H GLY 81 HN GLY 81 -17.851 6.922 5.246 630 1HA GLY 81 HA1 GLY 81 -16.868 8.064 2.848 631 2HA GLY 81 HA2 GLY 81 -17.386 6.405 3.113 632 H VAL 82 HN VAL 82 -15.680 5.982 5.269 633 HA VAL 82 HA VAL 82 -12.971 6.463 4.439 634 HB VAL 82 HB VAL 82 -13.932 4.472 6.502 635 1HG1 VAL 82 2HG1 VAL 82 -11.284 5.861 6.142 636 2HG1 VAL 82 1HG1 VAL 82 -11.702 4.792 7.484 637 3HG1 VAL 82 3HG1 VAL 82 -11.620 4.155 5.839 638 1HG2 VAL 82 3HG2 VAL 82 -14.825 6.705 6.887 639 2HG2 VAL 82 2HG2 VAL 82 -13.669 6.256 8.156 640 3HG2 VAL 82 1HG2 VAL 82 -13.203 7.370 6.853 641 H ILE 83 HN ILE 83 -12.135 5.497 2.840 642 HA ILE 83 HA ILE 83 -13.156 3.065 1.672 643 HB ILE 83 HB ILE 83 -10.992 4.911 0.546 644 1HG1 ILE 83 2HG1 ILE 83 -13.040 6.141 0.843 645 2HG1 ILE 83 1HG1 ILE 83 -12.866 5.768 -0.870 646 1HG2 ILE 83 2HG2 ILE 83 -11.002 2.644 -0.501 647 2HG2 ILE 83 1HG2 ILE 83 -12.718 2.824 -0.845 648 3HG2 ILE 83 3HG2 ILE 83 -11.545 3.884 -1.636 649 1HD1 ILE 83 3HD1 ILE 83 -14.575 4.276 1.088 650 2HD1 ILE 83 2HD1 ILE 83 -15.167 5.449 -0.101 651 3HD1 ILE 83 1HD1 ILE 83 -14.443 3.925 -0.633 652 H SER 84 HN SER 84 -12.119 2.280 3.935 653 HA SER 84 HA SER 84 -9.256 1.675 3.437 654 1HB SER 84 HB2 SER 84 -9.569 2.731 5.571 655 2HB SER 84 HB1 SER 84 -10.865 1.624 6.003 656 HG SER 84 HG SER 84 -9.140 -0.077 5.811 657 H THR 85 HN THR 85 -8.511 -0.432 3.487 658 HA THR 85 HA THR 85 -10.571 -2.434 3.395 659 HB THR 85 HB THR 85 -8.631 -3.986 2.842 660 HG1 THR 85 HG1 THR 85 -6.798 -2.543 2.017 661 1HG2 THR 85 1HG2 THR 85 -9.012 -1.555 1.090 662 2HG2 THR 85 3HG2 THR 85 -8.323 -3.093 0.568 663 3HG2 THR 85 2HG2 THR 85 -10.009 -3.010 1.084 664 H PHE 86 HN PHE 86 -10.632 -4.191 4.867 665 HA PHE 86 HA PHE 86 -9.222 -3.678 7.376 666 1HB PHE 86 HB2 PHE 86 -12.135 -4.281 6.937 667 2HB PHE 86 HB1 PHE 86 -11.346 -4.620 8.460 668 HD1 PHE 86 HD1 PHE 86 -11.735 -1.812 6.071 669 HD2 PHE 86 HD2 PHE 86 -11.560 -3.082 10.088 670 HE1 PHE 86 HE1 PHE 86 -12.322 0.482 6.814 671 HE2 PHE 86 HE2 PHE 86 -12.125 -0.810 10.865 672 HZ PHE 86 HZ PHE 86 -12.505 0.979 9.216 673 H HIS 87 HN HIS 87 -8.890 -5.523 8.634 674 HA HIS 87 HA HIS 87 -9.055 -8.072 7.243 675 1HB HIS 87 HB2 HIS 87 -7.791 -7.301 9.897 676 2HB HIS 87 HB1 HIS 87 -7.900 -8.961 9.333 677 HD1 HIS 87 HD1 HIS 87 -5.281 -6.970 9.807 678 HD2 HIS 87 HD2 HIS 87 -6.851 -8.482 6.270 679 HE1 HIS 87 HE1 HIS 87 -3.388 -6.985 8.140 680 H GLY 88 HN GLY 88 -10.992 -8.907 7.325 681 1HA GLY 88 HA1 GLY 88 -12.386 -9.044 9.893 682 2HA GLY 88 HA2 GLY 88 -12.794 -9.950 8.434 683 H ARG 89 HN ARG 89 -14.934 -8.941 9.451 684 HA ARG 89 HA ARG 89 -16.030 -7.233 7.595 685 1HB ARG 89 HB2 ARG 89 -16.930 -7.929 10.395 686 2HB ARG 89 HB1 ARG 89 -17.905 -7.010 9.261 687 1HG ARG 89 HG2 ARG 89 -16.862 -9.734 8.604 688 2HG ARG 89 HG1 ARG 89 -18.383 -9.490 9.464 689 1HD ARG 89 HD2 ARG 89 -19.269 -8.223 7.610 690 2HD ARG 89 HD1 ARG 89 -17.784 -8.290 6.712 691 HE ARG 89 HE ARG 89 -18.472 -10.888 7.260 692 1HH1 ARG 89 1HH1 ARG 89 -19.995 -8.171 5.633 693 2HH1 ARG 89 2HH1 ARG 89 -20.754 -9.123 4.430 694 1HH2 ARG 89 1HH2 ARG 89 -19.497 -12.205 5.634 695 2HH2 ARG 89 2HH2 ARG 89 -20.503 -11.480 4.460 696 HA PRO 90 HA PRO 90 -14.758 -3.239 8.928 697 1HB PRO 90 HB2 PRO 90 -17.223 -1.963 8.100 698 2HB PRO 90 HB1 PRO 90 -15.652 -1.949 7.294 699 1HG PRO 90 HG2 PRO 90 -17.860 -3.255 6.326 700 2HG PRO 90 HG1 PRO 90 -16.210 -3.734 5.930 701 1HD PRO 90 HD2 PRO 90 -18.109 -4.913 7.916 702 2HD PRO 90 HD1 PRO 90 -16.928 -5.739 6.883 703 H GLU 91 HN GLU 91 -14.847 -3.695 11.137 704 HA GLU 91 HA GLU 91 -16.747 -2.017 12.533 705 1HB GLU 91 HB2 GLU 91 -17.022 -3.766 14.313 706 2HB GLU 91 HB1 GLU 91 -17.651 -4.275 12.766 707 1HG GLU 91 HG2 GLU 91 -15.562 -5.554 12.406 708 2HG GLU 91 HG1 GLU 91 -15.078 -5.067 14.038 709 HA PRO 92 HA PRO 92 -13.062 -0.606 14.570 710 1HB PRO 92 HB2 PRO 92 -13.796 -0.581 17.208 711 2HB PRO 92 HB1 PRO 92 -14.174 0.729 16.062 712 1HG PRO 92 HG2 PRO 92 -15.855 -1.459 17.154 713 2HG PRO 92 HG1 PRO 92 -16.330 0.164 16.633 714 1HD PRO 92 HD2 PRO 92 -16.755 -2.132 15.216 715 2HD PRO 92 HD1 PRO 92 -16.645 -0.516 14.466 716 H ALA 93 HN ALA 93 -14.385 -3.560 15.523 717 HA ALA 93 HA ALA 93 -12.184 -4.342 17.197 718 1HB ALA 93 HB2 ALA 93 -14.439 -5.177 17.534 719 2HB ALA 93 HB3 ALA 93 -13.294 -6.506 17.282 720 3HB ALA 93 HB1 ALA 93 -14.389 -5.999 15.980 721 H SER 94 HN SER 94 -12.811 -4.063 13.916 722 HA SER 94 HA SER 94 -10.739 -5.950 13.202 723 1HB SER 94 HB2 SER 94 -12.670 -4.367 11.506 724 2HB SER 94 HB1 SER 94 -11.561 -5.622 10.940 725 HG SER 94 HG SER 94 -13.767 -6.252 11.310 726 H GLU 95 HN GLU 95 -8.997 -5.038 11.851 727 HA GLU 95 HA GLU 95 -8.455 -2.376 12.804 728 1HB GLU 95 HB2 GLU 95 -6.157 -2.778 12.265 729 2HB GLU 95 HB1 GLU 95 -6.786 -4.165 13.139 730 1HG GLU 95 HG2 GLU 95 -7.075 -5.349 11.023 731 2HG GLU 95 HG1 GLU 95 -6.419 -3.928 10.207 732 HA PRO 96 HA PRO 96 -8.888 -0.821 8.628 733 1HB PRO 96 HB2 PRO 96 -8.117 1.774 9.306 734 2HB PRO 96 HB1 PRO 96 -9.773 1.172 9.338 735 1HG PRO 96 HG2 PRO 96 -8.089 1.888 11.534 736 2HG PRO 96 HG1 PRO 96 -9.785 1.351 11.564 737 1HD PRO 96 HD2 PRO 96 -7.337 -0.167 12.182 738 2HD PRO 96 HD1 PRO 96 -9.031 -0.574 12.521 739 H ILE 97 HN ILE 97 -7.361 -1.494 7.510 740 HA ILE 97 HA ILE 97 -4.677 -1.828 8.291 741 HB ILE 97 HB ILE 97 -5.824 -1.958 5.490 742 1HG1 ILE 97 2HG1 ILE 97 -5.469 -4.209 7.488 743 2HG1 ILE 97 1HG1 ILE 97 -6.983 -3.346 7.242 744 1HG2 ILE 97 1HG2 ILE 97 -3.331 -3.214 6.662 745 2HG2 ILE 97 3HG2 ILE 97 -3.960 -3.499 5.037 746 3HG2 ILE 97 2HG2 ILE 97 -3.379 -1.899 5.484 747 1HD1 ILE 97 3HD1 ILE 97 -5.531 -4.917 5.123 748 2HD1 ILE 97 2HD1 ILE 97 -6.949 -5.449 6.055 749 3HD1 ILE 97 1HD1 ILE 97 -7.078 -4.070 4.974 750 H GLN 98 HN GLN 98 -6.192 0.607 6.258 751 HA GLN 98 HA GLN 98 -3.991 2.432 6.600 752 1HB GLN 98 HB2 GLN 98 -3.350 2.646 4.313 753 2HB GLN 98 HB1 GLN 98 -3.460 0.911 4.522 754 1HG GLN 98 HG2 GLN 98 -5.537 2.689 3.221 755 2HG GLN 98 HG1 GLN 98 -4.393 1.646 2.392 756 1HE2 GLN 98 1HE2 GLN 98 -4.717 -0.576 4.140 757 2HE2 GLN 98 2HE2 GLN 98 -6.311 -1.205 3.813 758 H SER 99 HN SER 99 -4.894 4.389 4.820 759 HA SER 99 HA SER 99 -7.694 4.052 4.599 760 1HB SER 99 HB2 SER 99 -7.400 5.365 6.730 761 2HB SER 99 HB1 SER 99 -6.541 6.596 5.804 762 HG SER 99 HG SER 99 -8.813 7.001 6.176 763 H PHE 100 HN PHE 100 -8.374 4.888 2.658 764 HA PHE 100 HA PHE 100 -6.299 6.203 1.070 765 1HB PHE 100 HB2 PHE 100 -8.765 4.699 0.160 766 2HB PHE 100 HB1 PHE 100 -7.716 5.607 -0.920 767 HD1 PHE 100 HD1 PHE 100 -8.404 2.414 0.331 768 HD2 PHE 100 HD2 PHE 100 -5.160 4.983 -0.680 769 HE1 PHE 100 HE1 PHE 100 -6.938 0.463 0.057 770 HE2 PHE 100 HE2 PHE 100 -3.704 3.036 -0.957 771 HZ PHE 100 HZ PHE 100 -4.596 0.771 -0.599 772 H PHE 101 HN PHE 101 -9.829 6.291 1.011 773 HA PHE 101 HA PHE 101 -9.696 9.231 0.906 774 1HB PHE 101 HB2 PHE 101 -11.361 7.323 -0.718 775 2HB PHE 101 HB1 PHE 101 -11.818 8.999 -0.496 776 HD1 PHE 101 HD1 PHE 101 -9.123 6.814 -1.808 777 HD2 PHE 101 HD2 PHE 101 -11.016 10.602 -1.891 778 HE1 PHE 101 HE1 PHE 101 -7.788 7.418 -3.790 779 HE2 PHE 101 HE2 PHE 101 -9.678 11.240 -3.871 780 HZ PHE 101 HZ PHE 101 -8.063 9.641 -4.820 781 H GLN 102 HN GLN 102 -11.507 10.287 1.754 782 HA GLN 102 HA GLN 102 -13.526 8.594 2.978 783 1HB GLN 102 HB2 GLN 102 -12.275 11.094 4.008 784 2HB GLN 102 HB1 GLN 102 -14.002 10.866 4.267 785 1HG GLN 102 HG2 GLN 102 -13.572 8.746 5.317 786 2HG GLN 102 HG1 GLN 102 -11.843 8.938 5.148 787 1HE2 GLN 102 1HE2 GLN 102 -14.154 11.466 5.941 788 2HE2 GLN 102 2HE2 GLN 102 -13.620 11.747 7.543 789 H ILE 103 HN ILE 103 -15.322 8.717 2.102 790 HA ILE 103 HA ILE 103 -15.840 11.006 0.323 791 HB ILE 103 HB ILE 103 -16.861 9.558 -1.377 792 1HG1 ILE 103 2HG1 ILE 103 -16.163 7.252 0.466 793 2HG1 ILE 103 1HG1 ILE 103 -17.790 7.876 0.217 794 1HG2 ILE 103 3HG2 ILE 103 -14.420 9.894 -1.487 795 2HG2 ILE 103 2HG2 ILE 103 -14.191 8.459 -0.507 796 3HG2 ILE 103 1HG2 ILE 103 -14.900 8.313 -2.110 797 1HD1 ILE 103 3HD1 ILE 103 -17.648 7.277 -2.137 798 2HD1 ILE 103 2HD1 ILE 103 -16.029 6.637 -1.877 799 3HD1 ILE 103 1HD1 ILE 103 -17.420 5.871 -1.091 800 H ASP 104 HN ASP 104 -18.129 11.393 -0.169 801 HA ASP 104 HA ASP 104 -19.648 11.320 2.283 802 1HB ASP 104 HB2 ASP 104 -19.669 13.104 0.155 803 2HB ASP 104 HB1 ASP 104 -20.801 11.871 -0.247 804 H LEU 105 HN LEU 105 -20.533 9.431 2.779 805 HA LEU 105 HA LEU 105 -21.200 7.511 0.840 806 1HB LEU 105 HB2 LEU 105 -21.963 7.694 3.708 807 2HB LEU 105 HB1 LEU 105 -22.557 6.426 2.673 808 HG LEU 105 HG LEU 105 -19.885 6.836 3.852 809 1HD1 LEU 105 2HD1 LEU 105 -21.691 4.539 3.206 810 2HD1 LEU 105 1HD1 LEU 105 -20.148 4.390 4.079 811 3HD1 LEU 105 3HD1 LEU 105 -21.497 5.303 4.787 812 1HD2 LEU 105 2HD2 LEU 105 -20.337 5.329 1.275 813 2HD2 LEU 105 1HD2 LEU 105 -19.348 6.784 1.453 814 3HD2 LEU 105 3HD2 LEU 105 -18.872 5.277 2.237 815 H GLU 106 HN GLU 106 -23.034 9.975 2.363 816 HA GLU 106 HA GLU 106 -25.431 8.970 1.322 817 1HB GLU 106 HB2 GLU 106 -26.333 11.212 2.116 818 2HB GLU 106 HB1 GLU 106 -25.611 10.103 3.287 819 1HG GLU 106 HG2 GLU 106 -23.621 11.367 3.383 820 2HG GLU 106 HG1 GLU 106 -24.160 12.461 2.125 821 H ARG 107 HN ARG 107 -22.858 10.638 -0.130 822 HA ARG 107 HA ARG 107 -24.562 11.744 -2.188 823 1HB ARG 107 HB2 ARG 107 -22.753 12.915 -2.949 824 2HB ARG 107 HB1 ARG 107 -22.261 12.651 -1.288 825 1HG ARG 107 HG2 ARG 107 -20.879 10.734 -2.025 826 2HG ARG 107 HG1 ARG 107 -21.423 11.102 -3.678 827 1HD ARG 107 HD2 ARG 107 -19.730 12.808 -1.839 828 2HD ARG 107 HD1 ARG 107 -19.221 11.952 -3.271 829 HE ARG 107 HE ARG 107 -21.283 13.755 -3.842 830 1HH1 ARG 107 1HH1 ARG 107 -17.905 13.670 -2.933 831 2HH1 ARG 107 2HH1 ARG 107 -17.401 14.876 -4.033 832 1HH2 ARG 107 1HH2 ARG 107 -20.638 15.511 -5.335 833 2HH2 ARG 107 2HH2 ARG 107 -19.013 15.989 -5.390 834 H LEU 108 HN LEU 108 -22.884 8.845 -1.471 835 HA LEU 108 HA LEU 108 -22.860 7.661 -4.028 836 1HB LEU 108 HB2 LEU 108 -23.103 6.542 -1.283 837 2HB LEU 108 HB1 LEU 108 -23.426 5.426 -2.578 838 HG LEU 108 HG LEU 108 -21.168 6.499 -3.329 839 1HD1 LEU 108 1HD1 LEU 108 -20.839 7.796 -1.336 840 2HD1 LEU 108 3HD1 LEU 108 -20.816 6.265 -0.429 841 3HD1 LEU 108 2HD1 LEU 108 -19.566 6.603 -1.621 842 1HD2 LEU 108 1HD2 LEU 108 -21.635 3.997 -1.811 843 2HD2 LEU 108 3HD2 LEU 108 -21.316 4.256 -3.525 844 3HD2 LEU 108 2HD2 LEU 108 -20.024 4.449 -2.348 845 H GLU 109 HN GLU 109 -24.351 5.763 -4.562 846 HA GLU 109 HA GLU 109 -26.935 6.778 -4.959 847 1HB GLU 109 HB2 GLU 109 -25.930 3.948 -5.251 848 2HB GLU 109 HB1 GLU 109 -27.456 4.545 -5.901 849 1HG GLU 109 HG2 GLU 109 -26.189 6.111 -7.309 850 2HG GLU 109 HG1 GLU 109 -24.692 5.433 -6.674 851 H SER 110 HN SER 110 -26.655 3.537 -3.561 852 HA SER 110 HA SER 110 -27.507 4.431 -0.982 853 1HB SER 110 HB2 SER 110 -29.430 2.823 -2.677 854 2HB SER 110 HB1 SER 110 -29.608 3.033 -0.935 855 HG SER 110 HG SER 110 -29.219 5.364 -2.264 856 H HIS 111 HN HIS 111 -27.923 1.296 -2.672 857 HA HIS 111 HA HIS 111 -26.993 0.070 -0.282 858 1HB HIS 111 HB2 HIS 111 -27.500 -2.109 -1.354 859 2HB HIS 111 HB1 HIS 111 -28.853 -0.997 -1.397 860 HD1 HIS 111 HD1 HIS 111 -29.808 -0.426 -3.740 861 HD2 HIS 111 HD2 HIS 111 -26.271 -2.618 -3.866 862 HE1 HIS 111 HE1 HIS 111 -29.527 -1.164 -6.121 863 H MET 112 HN MET 112 -25.376 1.056 -3.075 864 HA MET 112 HA MET 112 -23.315 -0.882 -2.993 865 1HB MET 112 HB2 MET 112 -21.849 0.773 -4.148 866 2HB MET 112 HB1 MET 112 -23.363 0.441 -5.006 867 1HG MET 112 HG2 MET 112 -24.204 2.563 -4.205 868 2HG MET 112 HG1 MET 112 -22.722 2.807 -3.280 869 1HE MET 112 HE3 MET 112 -20.276 2.721 -4.479 870 2HE MET 112 HE2 MET 112 -20.672 1.430 -5.601 871 3HE MET 112 HE1 MET 112 -20.049 2.947 -6.216 872 H GLN 113 HN GLN 113 -23.525 2.268 -1.311 873 HA GLN 113 HA GLN 113 -21.012 1.846 -0.158 874 1HB GLN 113 HB2 GLN 113 -21.878 3.566 1.609 875 2HB GLN 113 HB1 GLN 113 -21.428 4.143 0.021 876 1HG GLN 113 HG2 GLN 113 -23.448 4.993 -0.144 877 2HG GLN 113 HG1 GLN 113 -24.003 3.369 -0.182 878 1HE2 GLN 113 1HE2 GLN 113 -23.943 6.235 1.457 879 2HE2 GLN 113 2HE2 GLN 113 -24.815 5.805 2.882 880 H LYS 114 HN LYS 114 -24.244 1.185 0.757 881 HA LYS 114 HA LYS 114 -23.736 0.174 3.296 882 1HB LYS 114 HB2 LYS 114 -25.937 -0.689 1.418 883 2HB LYS 114 HB1 LYS 114 -25.853 -1.144 3.117 884 1HG LYS 114 HG2 LYS 114 -25.785 1.297 3.659 885 2HG LYS 114 HG1 LYS 114 -26.147 1.606 1.969 886 1HD LYS 114 HD2 LYS 114 -28.239 0.351 2.209 887 2HD LYS 114 HD1 LYS 114 -27.831 0.065 3.912 888 1HE LYS 114 HE2 LYS 114 -27.679 2.521 4.220 889 2HE LYS 114 HE1 LYS 114 -28.301 2.731 2.591 890 1HZ LYS 114 HZ3 LYS 114 -29.725 1.351 4.791 891 2HZ LYS 114 HZ2 LYS 114 -30.050 2.921 4.278 892 3HZ LYS 114 HZ1 LYS 114 -30.337 1.621 3.251 893 H ASN 115 HN ASN 115 -23.212 -1.368 0.210 894 HA ASN 115 HA ASN 115 -22.789 -4.005 1.186 895 1HB ASN 115 HB2 ASN 115 -23.094 -3.309 -1.282 896 2HB ASN 115 HB1 ASN 115 -21.436 -2.746 -1.203 897 1HD2 ASN 115 1HD2 ASN 115 -20.933 -4.165 -2.833 898 2HD2 ASN 115 2HD2 ASN 115 -20.681 -5.837 -2.517 899 H LEU 116 HN LEU 116 -20.814 -1.200 0.659 900 HA LEU 116 HA LEU 116 -18.280 -2.280 1.337 901 1HB LEU 116 HB2 LEU 116 -19.193 0.557 1.722 902 2HB LEU 116 HB1 LEU 116 -17.563 -0.042 1.452 903 HG LEU 116 HG LEU 116 -19.735 -0.165 -0.653 904 1HD1 LEU 116 3HD1 LEU 116 -19.127 2.176 0.127 905 2HD1 LEU 116 2HD1 LEU 116 -17.525 1.819 -0.501 906 3HD1 LEU 116 1HD1 LEU 116 -18.888 1.803 -1.590 907 1HD2 LEU 116 2HD2 LEU 116 -17.862 -1.741 -0.945 908 2HD2 LEU 116 1HD2 LEU 116 -17.857 -0.467 -2.167 909 3HD2 LEU 116 3HD2 LEU 116 -16.731 -0.395 -0.813 910 H LEU 117 HN LEU 117 -20.893 -0.814 3.173 911 HA LEU 117 HA LEU 117 -19.626 -0.530 5.683 912 1HB LEU 117 HB2 LEU 117 -22.541 -1.047 5.161 913 2HB LEU 117 HB1 LEU 117 -21.847 -0.378 6.616 914 HG LEU 117 HG LEU 117 -21.994 0.936 3.921 915 1HD1 LEU 117 3HD1 LEU 117 -24.110 0.838 5.152 916 2HD1 LEU 117 2HD1 LEU 117 -23.308 1.585 6.531 917 3HD1 LEU 117 1HD1 LEU 117 -23.472 2.481 5.021 918 1HD2 LEU 117 1HD2 LEU 117 -20.825 1.951 6.494 919 2HD2 LEU 117 3HD2 LEU 117 -19.970 1.564 4.985 920 3HD2 LEU 117 2HD2 LEU 117 -21.143 2.887 5.021 921 H LYS 118 HN LYS 118 -21.293 -3.212 4.137 922 HA LYS 118 HA LYS 118 -21.337 -4.700 6.620 923 1HB LYS 118 HB2 LYS 118 -22.731 -6.237 5.555 924 2HB LYS 118 HB1 LYS 118 -23.161 -4.727 4.769 925 1HG LYS 118 HG2 LYS 118 -21.197 -5.656 3.138 926 2HG LYS 118 HG1 LYS 118 -21.880 -7.135 3.745 927 1HD LYS 118 HD2 LYS 118 -23.594 -4.968 2.566 928 2HD LYS 118 HD1 LYS 118 -23.010 -6.360 1.638 929 1HE LYS 118 HE2 LYS 118 -24.216 -7.799 3.256 930 2HE LYS 118 HE1 LYS 118 -24.803 -6.342 4.055 931 1HZ LYS 118 HZ2 LYS 118 -25.882 -5.683 1.992 932 2HZ LYS 118 HZ1 LYS 118 -25.362 -7.090 1.232 933 3HZ LYS 118 HZ3 LYS 118 -26.460 -7.170 2.517 934 H GLY 119 HN GLY 119 -19.398 -4.418 3.767 935 1HA GLY 119 HA1 GLY 119 -17.718 -6.558 4.820 936 2HA GLY 119 HA2 GLY 119 -17.094 -5.076 4.109 937 H ILE 120 HN ILE 120 -16.375 -5.314 2.174 938 HA ILE 120 HA ILE 120 -17.736 -6.967 0.183 939 HB ILE 120 HB ILE 120 -15.098 -5.495 -0.106 940 1HG1 ILE 120 2HG1 ILE 120 -16.688 -3.817 0.522 941 2HG1 ILE 120 1HG1 ILE 120 -16.467 -3.693 -1.226 942 1HG2 ILE 120 3HG2 ILE 120 -15.513 -7.156 -1.835 943 2HG2 ILE 120 2HG2 ILE 120 -17.081 -6.416 -2.176 944 3HG2 ILE 120 1HG2 ILE 120 -15.599 -5.526 -2.513 945 1HD1 ILE 120 3HD1 ILE 120 -18.498 -5.014 -1.528 946 2HD1 ILE 120 2HD1 ILE 120 -18.633 -5.068 0.224 947 3HD1 ILE 120 1HD1 ILE 120 -18.838 -3.526 -0.610 948 HA PRO 121 HA PRO 121 -15.071 -10.427 1.424 949 1HB PRO 121 HB2 PRO 121 -15.810 -12.118 -0.549 950 2HB PRO 121 HB1 PRO 121 -16.858 -11.773 0.837 951 1HG PRO 121 HG2 PRO 121 -16.894 -10.571 -1.916 952 2HG PRO 121 HG1 PRO 121 -18.260 -11.204 -0.981 953 1HD PRO 121 HD2 PRO 121 -17.764 -8.602 -1.122 954 2HD PRO 121 HD1 PRO 121 -18.331 -9.338 0.394 955 H PHE 122 HN PHE 122 -14.176 -8.322 -0.357 956 HA PHE 122 HA PHE 122 -12.592 -7.662 -1.765 957 1HB PHE 122 HB2 PHE 122 -11.442 -9.873 -0.389 958 2HB PHE 122 HB1 PHE 122 -10.888 -9.889 -2.064 959 HD1 PHE 122 HD1 PHE 122 -8.892 -8.824 -2.423 960 HD2 PHE 122 HD2 PHE 122 -11.513 -7.307 0.555 961 HE1 PHE 122 HE1 PHE 122 -7.285 -7.020 -1.922 962 HE2 PHE 122 HE2 PHE 122 -9.917 -5.512 1.059 963 HZ PHE 122 HZ PHE 122 -7.796 -5.369 -0.183 964 H ARG 123 HN ARG 123 -11.302 -8.247 -3.792 965 HA ARG 123 HA ARG 123 -12.760 -9.889 -5.626 966 1HB ARG 123 HB2 ARG 123 -12.435 -6.877 -6.079 967 2HB ARG 123 HB1 ARG 123 -13.091 -8.055 -7.209 968 1HG ARG 123 HG2 ARG 123 -15.019 -8.401 -5.817 969 2HG ARG 123 HG1 ARG 123 -14.375 -7.308 -4.593 970 1HD ARG 123 HD2 ARG 123 -14.452 -5.468 -6.253 971 2HD ARG 123 HD1 ARG 123 -15.165 -6.582 -7.418 972 HE ARG 123 HE ARG 123 -16.779 -6.743 -5.233 973 1HH1 ARG 123 1HH1 ARG 123 -15.810 -4.174 -7.434 974 2HH1 ARG 123 2HH1 ARG 123 -17.169 -3.191 -7.189 975 1HH2 ARG 123 1HH2 ARG 123 -18.711 -5.420 -4.875 976 2HH2 ARG 123 2HH2 ARG 123 -18.906 -3.941 -5.654 977 H THR 124 HN THR 124 -11.417 -9.418 -7.850 978 HA THR 124 HA THR 124 -8.704 -9.965 -7.055 979 HB THR 124 HB THR 124 -10.024 -9.900 -9.804 980 HG1 THR 124 HG1 THR 124 -10.500 -11.423 -7.780 981 1HG2 THR 124 2HG2 THR 124 -7.504 -11.307 -8.860 982 2HG2 THR 124 1HG2 THR 124 -8.228 -11.430 -10.470 983 3HG2 THR 124 3HG2 THR 124 -7.589 -9.887 -9.916 984 H LYS 125 HN LYS 125 -6.996 -8.742 -8.827 985 HA LYS 125 HA LYS 125 -6.724 -6.272 -7.628 986 1HB LYS 125 HB2 LYS 125 -4.971 -5.791 -9.332 987 2HB LYS 125 HB1 LYS 125 -4.773 -7.314 -8.492 988 1HG LYS 125 HG2 LYS 125 -5.265 -8.581 -10.346 989 2HG LYS 125 HG1 LYS 125 -6.196 -7.296 -11.109 990 1HD LYS 125 HD2 LYS 125 -3.193 -7.269 -10.765 991 2HD LYS 125 HD1 LYS 125 -4.025 -7.755 -12.243 992 1HE LYS 125 HE2 LYS 125 -5.119 -5.503 -12.282 993 2HE LYS 125 HE1 LYS 125 -4.099 -5.034 -10.928 994 1HZ LYS 125 HZ1 LYS 125 -2.160 -5.575 -12.371 995 2HZ LYS 125 HZ3 LYS 125 -3.232 -5.705 -13.678 996 3HZ LYS 125 HZ2 LYS 125 -3.078 -4.250 -12.845 997 H ALA 126 HN ALA 126 -8.011 -6.943 -10.882 998 HA ALA 126 HA ALA 126 -8.168 -4.165 -11.520 999 1HB ALA 126 HB1 ALA 126 -9.378 -6.558 -12.854 1000 2HB ALA 126 HB2 ALA 126 -7.758 -5.957 -13.139 1001 3HB ALA 126 HB3 ALA 126 -9.160 -4.956 -13.591 1002 H GLU 127 HN GLU 127 -10.076 -6.531 -10.046 1003 HA GLU 127 HA GLU 127 -12.626 -5.250 -10.468 1004 1HB GLU 127 HB2 GLU 127 -11.914 -7.364 -8.503 1005 2HB GLU 127 HB1 GLU 127 -13.502 -7.086 -9.244 1006 1HG GLU 127 HG2 GLU 127 -12.323 -7.683 -11.445 1007 2HG GLU 127 HG1 GLU 127 -11.001 -8.201 -10.440 1008 H PHE 128 HN PHE 128 -10.118 -5.381 -8.126 1009 HA PHE 128 HA PHE 128 -11.427 -4.070 -5.959 1010 1HB PHE 128 HB2 PHE 128 -9.530 -5.499 -5.544 1011 2HB PHE 128 HB1 PHE 128 -8.538 -4.611 -6.678 1012 HD1 PHE 128 HD1 PHE 128 -7.731 -2.383 -6.142 1013 HD2 PHE 128 HD2 PHE 128 -9.816 -4.745 -3.302 1014 HE1 PHE 128 HE1 PHE 128 -6.880 -0.933 -4.319 1015 HE2 PHE 128 HE2 PHE 128 -8.995 -3.312 -1.479 1016 HZ PHE 128 HZ PHE 128 -7.527 -1.401 -1.985 1017 H GLU 129 HN GLU 129 -9.056 -3.036 -8.411 1018 HA GLU 129 HA GLU 129 -9.313 -0.358 -7.636 1019 1HB GLU 129 HB2 GLU 129 -8.163 0.169 -9.838 1020 2HB GLU 129 HB1 GLU 129 -7.295 -0.880 -8.736 1021 1HG GLU 129 HG2 GLU 129 -7.866 -2.783 -9.973 1022 2HG GLU 129 HG1 GLU 129 -8.944 -1.875 -11.013 1023 H ASP 130 HN ASP 130 -11.252 -2.350 -9.512 1024 HA ASP 130 HA ASP 130 -12.732 -0.460 -11.067 1025 1HB ASP 130 HB2 ASP 130 -12.773 -2.923 -11.386 1026 2HB ASP 130 HB1 ASP 130 -13.601 -3.077 -9.857 1027 H VAL 131 HN VAL 131 -13.271 -1.905 -7.890 1028 HA VAL 131 HA VAL 131 -15.530 -0.211 -7.401 1029 HB VAL 131 HB VAL 131 -15.519 -2.382 -6.226 1030 1HG1 VAL 131 1HG1 VAL 131 -13.159 -2.727 -6.097 1031 2HG1 VAL 131 3HG1 VAL 131 -13.039 -1.511 -4.830 1032 3HG1 VAL 131 2HG1 VAL 131 -13.957 -2.991 -4.542 1033 1HG2 VAL 131 2HG2 VAL 131 -16.638 -0.574 -5.039 1034 2HG2 VAL 131 1HG2 VAL 131 -15.877 -1.733 -3.934 1035 3HG2 VAL 131 3HG2 VAL 131 -15.102 -0.180 -4.243 1036 H ILE 132 HN ILE 132 -12.152 -0.099 -6.574 1037 HA ILE 132 HA ILE 132 -12.304 2.143 -4.912 1038 HB ILE 132 HB ILE 132 -10.189 0.546 -6.127 1039 1HG1 ILE 132 2HG1 ILE 132 -9.116 0.842 -3.932 1040 2HG1 ILE 132 1HG1 ILE 132 -10.336 2.030 -3.502 1041 1HG2 ILE 132 1HG2 ILE 132 -9.468 2.590 -7.143 1042 2HG2 ILE 132 3HG2 ILE 132 -9.525 3.423 -5.592 1043 3HG2 ILE 132 2HG2 ILE 132 -8.347 2.132 -5.858 1044 1HD1 ILE 132 3HD1 ILE 132 -12.055 0.307 -3.668 1045 2HD1 ILE 132 2HD1 ILE 132 -10.823 -0.879 -4.093 1046 3HD1 ILE 132 1HD1 ILE 132 -10.810 -0.127 -2.493 1047 H GLU 133 HN GLU 133 -11.925 1.960 -8.431 1048 HA GLU 133 HA GLU 133 -11.434 4.708 -8.732 1049 1HB GLU 133 HB2 GLU 133 -11.978 4.449 -11.105 1050 2HB GLU 133 HB1 GLU 133 -10.982 3.118 -10.562 1051 1HG GLU 133 HG2 GLU 133 -12.750 1.621 -10.627 1052 2HG GLU 133 HG1 GLU 133 -13.953 2.907 -10.690 1053 H HIS 134 HN HIS 134 -14.321 2.843 -8.350 1054 HA HIS 134 HA HIS 134 -16.095 4.919 -9.135 1055 1HB HIS 134 HB2 HIS 134 -16.457 2.304 -8.969 1056 2HB HIS 134 HB1 HIS 134 -16.924 2.683 -7.317 1057 HD1 HIS 134 HD1 HIS 134 -18.215 2.551 -10.711 1058 HD2 HIS 134 HD2 HIS 134 -19.169 4.567 -7.213 1059 HE1 HIS 134 HE1 HIS 134 -20.599 3.334 -10.985 1060 H MET 135 HN MET 135 -14.711 3.757 -6.142 1061 HA MET 135 HA MET 135 -16.089 5.423 -4.305 1062 1HB MET 135 HB2 MET 135 -13.240 4.426 -4.129 1063 2HB MET 135 HB1 MET 135 -14.178 5.079 -2.808 1064 1HG MET 135 HG2 MET 135 -14.793 2.524 -4.281 1065 2HG MET 135 HG1 MET 135 -13.927 2.620 -2.761 1066 1HE MET 135 HE2 MET 135 -17.294 2.279 -4.520 1067 2HE MET 135 HE1 MET 135 -18.473 2.907 -3.381 1068 3HE MET 135 HE3 MET 135 -17.453 4.022 -4.284 1069 H LYS 136 HN LYS 136 -13.049 5.894 -6.070 1070 HA LYS 136 HA LYS 136 -12.541 8.393 -4.869 1071 1HB LYS 136 HB2 LYS 136 -10.679 8.672 -6.360 1072 2HB LYS 136 HB1 LYS 136 -10.734 7.015 -5.778 1073 1HG LYS 136 HG2 LYS 136 -11.780 6.343 -7.872 1074 2HG LYS 136 HG1 LYS 136 -11.649 7.996 -8.450 1075 1HD LYS 136 HD2 LYS 136 -9.828 6.628 -9.329 1076 2HD LYS 136 HD1 LYS 136 -9.221 7.902 -8.275 1077 1HE LYS 136 HE2 LYS 136 -8.895 6.366 -6.486 1078 2HE LYS 136 HE1 LYS 136 -9.724 5.077 -7.349 1079 1HZ LYS 136 HZ3 LYS 136 -7.876 5.192 -9.007 1080 2HZ LYS 136 HZ2 LYS 136 -7.120 6.344 -8.054 1081 3HZ LYS 136 HZ1 LYS 136 -7.316 4.789 -7.473 1082 H THR 137 HN THR 137 -14.575 7.524 -7.498 1083 HA THR 137 HA THR 137 -14.523 9.962 -8.900 1084 HB THR 137 HB THR 137 -15.722 7.630 -9.499 1085 HG1 THR 137 HG1 THR 137 -15.567 9.627 -10.797 1086 1HG2 THR 137 2HG2 THR 137 -18.022 9.252 -8.378 1087 2HG2 THR 137 1HG2 THR 137 -18.176 7.767 -9.319 1088 3HG2 THR 137 3HG2 THR 137 -17.421 7.727 -7.724 1089 H TYR 138 HN TYR 138 -15.960 9.006 -5.891 1090 HA TYR 138 HA TYR 138 -17.620 11.332 -5.632 1091 1HB TYR 138 HB2 TYR 138 -16.733 9.209 -3.674 1092 2HB TYR 138 HB1 TYR 138 -17.922 10.450 -3.318 1093 HD1 TYR 138 HD1 TYR 138 -17.407 7.158 -4.566 1094 HD2 TYR 138 HD2 TYR 138 -19.959 10.504 -4.816 1095 HE1 TYR 138 HE1 TYR 138 -19.209 5.698 -5.404 1096 HE2 TYR 138 HE2 TYR 138 -21.789 9.074 -5.663 1097 HH TYR 138 HH TYR 138 -22.004 6.926 -6.830 1098 H SER 139 HN SER 139 -14.808 9.976 -4.011 1099 HA SER 139 HA SER 139 -13.101 10.758 -2.886 1100 1HB SER 139 HB2 SER 139 -11.842 12.622 -3.901 1101 2HB SER 139 HB1 SER 139 -12.272 11.351 -5.030 1102 HG SER 139 HG SER 139 -14.191 13.242 -4.931 1103 H GLY 140 HN GLY 140 -15.872 12.013 -2.058 1104 1HA GLY 140 HA1 GLY 140 -15.070 14.407 -0.845 1105 2HA GLY 140 HA2 GLY 140 -15.137 13.020 0.258 No H/Q in entry = 1105 Start of MODEL 11 1 H1 ALA 1 HT2 ALA 1 36.162 14.607 6.589 2 H2 ALA 1 HT1 ALA 1 37.503 14.156 5.675 3 H3 ALA 1 HT3 ALA 1 36.949 15.765 5.641 4 HA ALA 1 HA ALA 1 34.904 15.072 4.627 5 1HB ALA 1 HB1 ALA 1 37.327 13.954 3.217 6 2HB ALA 1 HB3 ALA 1 35.783 14.348 2.459 7 3HB ALA 1 HB2 ALA 1 36.777 15.629 3.153 8 H GLU 2 HN GLU 2 33.448 13.445 4.209 9 HA GLU 2 HA GLU 2 34.064 10.940 5.442 10 1HB GLU 2 HB2 GLU 2 31.869 12.015 5.729 11 2HB GLU 2 HB1 GLU 2 31.585 11.828 3.996 12 1HG GLU 2 HG2 GLU 2 31.547 9.468 4.184 13 2HG GLU 2 HG1 GLU 2 32.065 9.535 5.867 14 H VAL 3 HN VAL 3 34.474 9.118 4.473 15 HA VAL 3 HA VAL 3 34.510 9.002 1.553 16 HB VAL 3 HB VAL 3 36.723 7.862 1.667 17 1HG1 VAL 3 3HG1 VAL 3 36.715 10.694 2.720 18 2HG1 VAL 3 2HG1 VAL 3 38.091 9.887 1.969 19 3HG1 VAL 3 1HG1 VAL 3 36.634 10.207 1.026 20 1HG2 VAL 3 1HG2 VAL 3 36.737 8.840 4.524 21 2HG2 VAL 3 3HG2 VAL 3 36.712 7.156 3.996 22 3HG2 VAL 3 2HG2 VAL 3 38.127 8.163 3.680 23 H GLU 4 HN GLU 4 35.154 6.679 0.944 24 HA GLU 4 HA GLU 4 33.367 4.875 2.291 25 1HB GLU 4 HB2 GLU 4 35.217 4.565 -0.075 26 2HB GLU 4 HB1 GLU 4 34.112 3.311 0.482 27 1HG GLU 4 HG2 GLU 4 32.210 4.640 -0.072 28 2HG GLU 4 HG1 GLU 4 33.214 6.055 -0.367 29 H HIS 5 HN HIS 5 34.002 3.124 3.500 30 HA HIS 5 HA HIS 5 36.730 3.347 4.525 31 1HB HIS 5 HB2 HIS 5 34.396 1.891 5.803 32 2HB HIS 5 HB1 HIS 5 35.963 2.232 6.506 33 HD1 HIS 5 HD1 HIS 5 36.476 4.815 7.077 34 HD2 HIS 5 HD2 HIS 5 32.550 3.881 6.111 35 HE1 HIS 5 HE1 HIS 5 35.094 6.774 7.827 36 H TYR 6 HN TYR 6 37.138 0.927 5.667 37 HA TYR 6 HA TYR 6 37.859 -0.675 3.402 38 1HB TYR 6 HB2 TYR 6 38.104 -1.231 6.356 39 2HB TYR 6 HB1 TYR 6 38.914 -2.095 5.058 40 HD1 TYR 6 HD1 TYR 6 40.859 -1.154 3.973 41 HD2 TYR 6 HD2 TYR 6 38.769 1.005 6.966 42 HE1 TYR 6 HE1 TYR 6 42.749 0.405 4.159 43 HE2 TYR 6 HE2 TYR 6 40.654 2.568 7.167 44 HH TYR 6 HH TYR 6 42.986 2.631 6.743 45 H GLU 7 HN GLU 7 35.544 -0.726 5.996 46 HA GLU 7 HA GLU 7 34.583 -3.318 5.294 47 1HB GLU 7 HB2 GLU 7 33.529 -1.231 7.210 48 2HB GLU 7 HB1 GLU 7 32.835 -2.831 7.004 49 1HG GLU 7 HG2 GLU 7 35.633 -2.257 7.940 50 2HG GLU 7 HG1 GLU 7 34.276 -2.684 8.982 51 HA PRO 8 HA PRO 8 31.697 -1.911 2.105 52 1HB PRO 8 HB2 PRO 8 29.800 -3.832 2.824 53 2HB PRO 8 HB1 PRO 8 31.015 -4.010 1.543 54 1HG PRO 8 HG2 PRO 8 31.040 -4.936 4.376 55 2HG PRO 8 HG1 PRO 8 31.718 -5.743 2.940 56 1HD PRO 8 HD2 PRO 8 33.250 -4.562 4.714 57 2HD PRO 8 HD1 PRO 8 33.603 -4.371 2.983 58 H LEU 9 HN LEU 9 29.154 -1.564 2.136 59 HA LEU 9 HA LEU 9 28.808 0.157 4.485 60 1HB LEU 9 HB2 LEU 9 28.719 0.845 1.848 61 2HB LEU 9 HB1 LEU 9 27.081 0.331 2.074 62 HG LEU 9 HG LEU 9 27.265 2.757 2.264 63 1HD1 LEU 9 3HD1 LEU 9 26.522 1.457 4.863 64 2HD1 LEU 9 2HD1 LEU 9 26.108 3.106 4.392 65 3HD1 LEU 9 1HD1 LEU 9 25.464 1.739 3.483 66 1HD2 LEU 9 1HD2 LEU 9 29.534 2.925 3.121 67 2HD2 LEU 9 3HD2 LEU 9 28.406 3.805 4.148 68 3HD2 LEU 9 2HD2 LEU 9 29.018 2.238 4.664 69 H GLN 10 HN GLN 10 27.431 -0.590 5.950 70 HA GLN 10 HA GLN 10 25.626 -2.671 5.293 71 1HB GLN 10 HB2 GLN 10 26.233 -1.192 7.823 72 2HB GLN 10 HB1 GLN 10 24.856 -2.273 7.717 73 1HG GLN 10 HG2 GLN 10 26.358 -4.092 7.138 74 2HG GLN 10 HG1 GLN 10 27.730 -2.992 7.276 75 1HE2 GLN 10 1HE2 GLN 10 26.951 -5.435 8.805 76 2HE2 GLN 10 2HE2 GLN 10 26.996 -4.916 10.447 77 H VAL 11 HN VAL 11 24.044 -2.052 4.124 78 HA VAL 11 HA VAL 11 22.666 0.485 4.622 79 HB VAL 11 HB VAL 11 22.053 -1.463 2.457 80 1HG1 VAL 11 2HG1 VAL 11 21.604 1.486 2.679 81 2HG1 VAL 11 1HG1 VAL 11 21.250 0.489 1.257 82 3HG1 VAL 11 3HG1 VAL 11 20.409 0.185 2.774 83 1HG2 VAL 11 1HG2 VAL 11 24.147 0.699 2.318 84 2HG2 VAL 11 3HG2 VAL 11 24.392 -1.053 2.245 85 3HG2 VAL 11 2HG2 VAL 11 23.526 -0.247 0.953 86 H HIS 12 HN HIS 12 20.913 0.364 5.833 87 HA HIS 12 HA HIS 12 19.415 -2.125 5.851 88 1HB HIS 12 HB2 HIS 12 19.116 0.390 7.517 89 2HB HIS 12 HB1 HIS 12 18.140 -1.080 7.672 90 HD1 HIS 12 HD1 HIS 12 21.584 0.266 8.425 91 HD2 HIS 12 HD2 HIS 12 19.310 -3.156 9.025 92 HE1 HIS 12 HE1 HIS 12 22.873 -1.147 10.063 93 H VAL 13 HN VAL 13 18.342 -2.148 4.051 94 HA VAL 13 HA VAL 13 16.940 0.274 3.239 95 HB VAL 13 HB VAL 13 18.508 -0.522 1.560 96 1HG1 VAL 13 1HG1 VAL 13 18.581 -2.890 2.071 97 2HG1 VAL 13 3HG1 VAL 13 16.950 -3.075 1.413 98 3HG1 VAL 13 2HG1 VAL 13 18.282 -2.587 0.364 99 1HG2 VAL 13 2HG2 VAL 13 15.646 -0.916 0.764 100 2HG2 VAL 13 1HG2 VAL 13 16.544 0.602 0.755 101 3HG2 VAL 13 3HG2 VAL 13 16.981 -0.695 -0.366 102 H GLN 14 HN GLN 14 15.048 0.470 3.562 103 HA GLN 14 HA GLN 14 13.387 -1.751 4.359 104 1HB GLN 14 HB2 GLN 14 13.236 0.328 5.609 105 2HB GLN 14 HB1 GLN 14 12.859 1.226 4.145 106 1HG GLN 14 HG2 GLN 14 10.739 0.020 3.972 107 2HG GLN 14 HG1 GLN 14 11.142 -0.888 5.427 108 1HE2 GLN 14 1HE2 GLN 14 8.928 0.941 4.838 109 2HE2 GLN 14 2HE2 GLN 14 8.954 2.147 6.054 110 H LEU 15 HN LEU 15 12.429 -2.872 2.874 111 HA LEU 15 HA LEU 15 11.996 -1.669 0.254 112 1HB LEU 15 HB2 LEU 15 12.049 -4.560 1.114 113 2HB LEU 15 HB1 LEU 15 11.833 -4.011 -0.527 114 HG LEU 15 HG LEU 15 14.311 -3.759 1.165 115 1HD1 LEU 15 2HD1 LEU 15 13.707 -5.397 -1.285 116 2HD1 LEU 15 1HD1 LEU 15 15.292 -5.243 -0.523 117 3HD1 LEU 15 3HD1 LEU 15 13.964 -5.997 0.352 118 1HD2 LEU 15 3HD2 LEU 15 14.051 -1.796 -0.272 119 2HD2 LEU 15 2HD2 LEU 15 15.388 -2.810 -0.800 120 3HD2 LEU 15 1HD2 LEU 15 13.852 -2.845 -1.673 121 H GLU 16 HN GLU 16 10.042 -0.826 0.132 122 HA GLU 16 HA GLU 16 7.803 -2.053 1.567 123 1HB GLU 16 HB2 GLU 16 7.815 0.395 -0.205 124 2HB GLU 16 HB1 GLU 16 6.500 -0.141 0.810 125 1HG GLU 16 HG2 GLU 16 7.911 0.325 2.793 126 2HG GLU 16 HG1 GLU 16 9.142 0.983 1.717 127 H LYS 17 HN LYS 17 6.320 -3.151 0.518 128 HA LYS 17 HA LYS 17 6.511 -3.343 -2.424 129 1HB LYS 17 HB2 LYS 17 5.057 -5.133 -0.448 130 2HB LYS 17 HB1 LYS 17 5.182 -5.404 -2.175 131 1HG LYS 17 HG2 LYS 17 7.525 -5.413 -0.279 132 2HG LYS 17 HG1 LYS 17 6.650 -6.852 -0.797 133 1HD LYS 17 HD2 LYS 17 7.253 -6.376 -3.120 134 2HD LYS 17 HD1 LYS 17 8.135 -4.936 -2.597 135 1HE LYS 17 HE2 LYS 17 9.658 -6.809 -2.976 136 2HE LYS 17 HE1 LYS 17 9.641 -6.335 -1.281 137 1HZ LYS 17 HZ3 LYS 17 8.167 -8.233 -0.818 138 2HZ LYS 17 HZ2 LYS 17 8.211 -8.689 -2.439 139 3HZ LYS 17 HZ1 LYS 17 9.599 -8.725 -1.511 140 H VAL 18 HN VAL 18 4.995 -1.811 -3.362 141 HA VAL 18 HA VAL 18 2.944 -1.120 -1.484 142 HB VAL 18 HB VAL 18 4.172 0.479 -3.766 143 1HG1 VAL 18 3HG1 VAL 18 1.659 1.188 -2.232 144 2HG1 VAL 18 2HG1 VAL 18 2.530 2.221 -3.375 145 3HG1 VAL 18 1HG1 VAL 18 1.730 0.762 -3.946 146 1HG2 VAL 18 2HG2 VAL 18 5.243 0.505 -1.597 147 2HG2 VAL 18 1HG2 VAL 18 4.540 2.074 -1.998 148 3HG2 VAL 18 3HG2 VAL 18 3.731 1.012 -0.844 149 H TYR 19 HN TYR 19 1.284 -2.232 -1.580 150 HA TYR 19 HA TYR 19 0.414 -3.287 -4.113 151 1HB TYR 19 HB2 TYR 19 -0.357 -3.886 -1.281 152 2HB TYR 19 HB1 TYR 19 -1.181 -4.577 -2.677 153 HD1 TYR 19 HD1 TYR 19 1.784 -4.767 -0.549 154 HD2 TYR 19 HD2 TYR 19 0.061 -5.983 -4.225 155 HE1 TYR 19 HE1 TYR 19 3.395 -6.608 -0.686 156 HE2 TYR 19 HE2 TYR 19 1.689 -7.827 -4.390 157 HH TYR 19 HH TYR 19 3.861 -8.454 -3.527 158 H LEU 20 HN LEU 20 -1.570 -3.029 -4.922 159 HA LEU 20 HA LEU 20 -2.562 -0.431 -5.051 160 1HB LEU 20 HB2 LEU 20 -3.977 -2.984 -5.745 161 2HB LEU 20 HB1 LEU 20 -4.372 -1.385 -6.333 162 HG LEU 20 HG LEU 20 -1.807 -2.847 -6.932 163 1HD1 LEU 20 1HD1 LEU 20 -3.741 -3.933 -7.877 164 2HD1 LEU 20 3HD1 LEU 20 -4.273 -2.414 -8.598 165 3HD1 LEU 20 2HD1 LEU 20 -2.768 -3.171 -9.143 166 1HD2 LEU 20 1HD2 LEU 20 -2.992 -0.306 -8.045 167 2HD2 LEU 20 3HD2 LEU 20 -1.586 -0.421 -6.988 168 3HD2 LEU 20 2HD2 LEU 20 -1.516 -1.092 -8.620 169 H ASP 21 HN ASP 21 -3.728 -3.243 -3.316 170 HA ASP 21 HA ASP 21 -6.243 -2.225 -2.540 171 1HB ASP 21 HB2 ASP 21 -6.195 -4.089 -0.919 172 2HB ASP 21 HB1 ASP 21 -5.865 -4.582 -2.592 173 H GLY 22 HN GLY 22 -3.107 -1.708 -1.232 174 1HA GLY 22 HA1 GLY 22 -4.426 -0.376 1.022 175 2HA GLY 22 HA2 GLY 22 -2.979 0.232 0.243 176 H ASP 23 HN ASP 23 -3.138 -3.223 0.828 177 HA ASP 23 HA ASP 23 -1.627 -2.790 3.268 178 1HB ASP 23 HB2 ASP 23 -3.308 -4.659 3.233 179 2HB ASP 23 HB1 ASP 23 -2.374 -5.419 1.958 180 H VAL 24 HN VAL 24 0.337 -2.145 2.896 181 HA VAL 24 HA VAL 24 1.730 -3.331 0.660 182 HB VAL 24 HB VAL 24 3.322 -1.649 0.757 183 1HG1 VAL 24 1HG1 VAL 24 0.771 -0.313 1.555 184 2HG1 VAL 24 3HG1 VAL 24 2.164 0.498 0.845 185 3HG1 VAL 24 2HG1 VAL 24 1.300 -0.743 -0.068 186 1HG2 VAL 24 2HG2 VAL 24 2.474 -1.039 3.575 187 2HG2 VAL 24 1HG2 VAL 24 3.968 -1.787 2.993 188 3HG2 VAL 24 3HG2 VAL 24 3.659 -0.083 2.643 189 H SER 25 HN SER 25 3.987 -4.070 1.111 190 HA SER 25 HA SER 25 4.054 -5.281 3.785 191 1HB SER 25 HB2 SER 25 3.713 -6.843 1.788 192 2HB SER 25 HB1 SER 25 5.363 -6.430 1.326 193 HG SER 25 HG SER 25 4.424 -7.801 3.572 194 H ILE 26 HN ILE 26 5.805 -4.937 4.988 195 HA ILE 26 HA ILE 26 7.868 -3.224 3.820 196 HB ILE 26 HB ILE 26 7.050 -3.617 6.697 197 1HG1 ILE 26 2HG1 ILE 26 5.341 -2.404 5.472 198 2HG1 ILE 26 1HG1 ILE 26 6.162 -1.334 6.601 199 1HG2 ILE 26 2HG2 ILE 26 9.405 -3.059 6.521 200 2HG2 ILE 26 1HG2 ILE 26 9.011 -1.673 5.498 201 3HG2 ILE 26 3HG2 ILE 26 8.498 -1.693 7.186 202 1HD1 ILE 26 1HD1 ILE 26 7.465 -0.421 4.749 203 2HD1 ILE 26 3HD1 ILE 26 6.598 -1.479 3.630 204 3HD1 ILE 26 2HD1 ILE 26 5.727 -0.221 4.508 205 H GLU 27 HN GLU 27 9.716 -4.163 3.476 206 HA GLU 27 HA GLU 27 10.520 -6.456 5.109 207 1HB GLU 27 HB2 GLU 27 10.250 -7.073 2.820 208 2HB GLU 27 HB1 GLU 27 11.128 -5.672 2.259 209 1HG GLU 27 HG2 GLU 27 12.555 -7.559 2.013 210 2HG GLU 27 HG1 GLU 27 13.153 -6.604 3.348 211 H HIS 28 HN HIS 28 12.663 -6.472 5.805 212 HA HIS 28 HA HIS 28 14.067 -3.887 5.735 213 1HB HIS 28 HB2 HIS 28 13.892 -5.777 8.086 214 2HB HIS 28 HB1 HIS 28 14.890 -4.336 8.037 215 HD1 HIS 28 HD1 HIS 28 12.288 -5.059 9.961 216 HD2 HIS 28 HD2 HIS 28 12.569 -2.343 6.852 217 HE1 HIS 28 HE1 HIS 28 10.542 -3.300 10.425 218 H LYS 29 HN LYS 29 15.715 -4.208 4.538 219 HA LYS 29 HA LYS 29 17.134 -6.772 4.546 220 1HB LYS 29 HB2 LYS 29 16.585 -4.658 2.577 221 2HB LYS 29 HB1 LYS 29 18.078 -5.537 2.377 222 1HG LYS 29 HG2 LYS 29 15.395 -6.873 2.611 223 2HG LYS 29 HG1 LYS 29 16.040 -6.289 1.080 224 1HD LYS 29 HD2 LYS 29 17.366 -8.331 2.873 225 2HD LYS 29 HD1 LYS 29 16.448 -8.664 1.397 226 1HE LYS 29 HE2 LYS 29 18.070 -7.272 0.121 227 2HE LYS 29 HE1 LYS 29 19.023 -7.076 1.584 228 1HZ LYS 29 HZ2 LYS 29 19.377 -9.502 1.616 229 2HZ LYS 29 HZ1 LYS 29 18.464 -9.637 0.197 230 3HZ LYS 29 HZ3 LYS 29 19.908 -8.791 0.185 231 H HIS 30 HN HIS 30 19.008 -6.727 5.629 232 HA HIS 30 HA HIS 30 20.418 -4.168 5.605 233 1HB HIS 30 HB2 HIS 30 21.763 -4.967 7.539 234 2HB HIS 30 HB1 HIS 30 20.056 -4.863 7.918 235 HD1 HIS 30 HD1 HIS 30 22.897 -7.294 7.703 236 HD2 HIS 30 HD2 HIS 30 18.810 -7.350 8.433 237 HE1 HIS 30 HE1 HIS 30 22.411 -9.532 8.683 238 H GLU 31 HN GLU 31 21.799 -4.059 4.051 239 HA GLU 31 HA GLU 31 23.334 -6.487 3.562 240 1HB GLU 31 HB2 GLU 31 23.226 -6.230 1.162 241 2HB GLU 31 HB1 GLU 31 21.628 -6.485 1.886 242 1HG GLU 31 HG2 GLU 31 21.240 -4.067 1.609 243 2HG GLU 31 HG1 GLU 31 22.788 -3.984 0.753 244 H LYS 32 HN LYS 32 25.330 -6.336 3.244 245 HA LYS 32 HA LYS 32 26.584 -3.813 3.259 246 1HB LYS 32 HB2 LYS 32 27.491 -6.629 3.203 247 2HB LYS 32 HB1 LYS 32 28.601 -5.280 2.982 248 1HG LYS 32 HG2 LYS 32 27.888 -4.350 5.090 249 2HG LYS 32 HG1 LYS 32 26.780 -5.683 5.308 250 1HD LYS 32 HD2 LYS 32 28.500 -7.275 5.485 251 2HD LYS 32 HD1 LYS 32 29.703 -6.120 4.885 252 1HE LYS 32 HE2 LYS 32 29.494 -4.794 6.760 253 2HE LYS 32 HE1 LYS 32 28.091 -5.705 7.323 254 1HZ LYS 32 HZ1 LYS 32 30.881 -6.809 7.172 255 2HZ LYS 32 HZ3 LYS 32 30.157 -6.229 8.566 256 3HZ LYS 32 HZ2 LYS 32 29.530 -7.592 7.836 257 H VAL 33 HN VAL 33 27.291 -2.777 1.677 258 HA VAL 33 HA VAL 33 27.857 -4.116 -0.807 259 HB VAL 33 HB VAL 33 25.811 -3.404 -1.492 260 1HG1 VAL 33 3HG1 VAL 33 26.053 -0.945 0.178 261 2HG1 VAL 33 2HG1 VAL 33 24.695 -1.362 -0.894 262 3HG1 VAL 33 1HG1 VAL 33 25.083 -2.395 0.483 263 1HG2 VAL 33 1HG2 VAL 33 27.422 -2.418 -2.967 264 2HG2 VAL 33 3HG2 VAL 33 25.977 -1.416 -2.862 265 3HG2 VAL 33 2HG2 VAL 33 27.427 -0.964 -1.968 266 H PHE 34 HN PHE 34 29.531 -3.315 -1.953 267 HA PHE 34 HA PHE 34 31.310 -1.664 -0.412 268 1HB PHE 34 HB2 PHE 34 31.655 -3.100 -3.048 269 2HB PHE 34 HB1 PHE 34 32.918 -2.211 -2.221 270 HD1 PHE 34 HD1 PHE 34 30.412 -4.775 -1.131 271 HD2 PHE 34 HD2 PHE 34 34.491 -3.626 -1.375 272 HE1 PHE 34 HE1 PHE 34 31.058 -6.872 -0.020 273 HE2 PHE 34 HE2 PHE 34 35.147 -5.710 -0.246 274 HZ PHE 34 HZ PHE 34 33.427 -7.337 0.426 275 H SER 35 HN SER 35 29.470 -1.505 -3.436 276 HA SER 35 HA SER 35 30.333 1.282 -3.670 277 1HB SER 35 HB2 SER 35 31.308 -0.068 -5.462 278 2HB SER 35 HB1 SER 35 29.705 -0.652 -5.914 279 HG SER 35 HG SER 35 30.784 1.941 -6.073 280 H MET 36 HN MET 36 28.678 2.584 -3.294 281 HA MET 36 HA MET 36 26.044 1.799 -2.949 282 1HB MET 36 HB2 MET 36 27.281 4.470 -3.487 283 2HB MET 36 HB1 MET 36 25.539 4.306 -3.317 284 1HG MET 36 HG2 MET 36 26.957 2.942 -1.216 285 2HG MET 36 HG1 MET 36 27.377 4.659 -1.284 286 1HE MET 36 HE3 MET 36 23.974 3.174 -2.439 287 2HE MET 36 HE2 MET 36 24.268 2.094 -1.073 288 3HE MET 36 HE1 MET 36 22.962 3.309 -1.014 289 H ASP 37 HN ASP 37 27.676 2.596 -5.790 290 HA ASP 37 HA ASP 37 25.498 3.156 -7.537 291 1HB ASP 37 HB2 ASP 37 27.708 3.704 -8.287 292 2HB ASP 37 HB1 ASP 37 28.239 2.033 -8.122 293 H ASP 38 HN ASP 38 27.111 0.238 -6.573 294 HA ASP 38 HA ASP 38 25.946 -1.666 -8.324 295 1HB ASP 38 HB2 ASP 38 27.940 -2.069 -6.850 296 2HB ASP 38 HB1 ASP 38 26.833 -1.907 -5.486 297 H PHE 39 HN PHE 39 25.144 -0.396 -5.199 298 HA PHE 39 HA PHE 39 22.883 -1.966 -4.667 299 1HB PHE 39 HB2 PHE 39 24.164 -0.914 -2.953 300 2HB PHE 39 HB1 PHE 39 23.813 0.690 -3.599 301 HD1 PHE 39 HD1 PHE 39 22.665 -2.163 -1.644 302 HD2 PHE 39 HD2 PHE 39 21.551 1.570 -3.300 303 HE1 PHE 39 HE1 PHE 39 20.698 -2.122 -0.178 304 HE2 PHE 39 HE2 PHE 39 19.576 1.628 -1.835 305 HZ PHE 39 HZ PHE 39 19.144 -0.213 -0.284 306 H TRP 40 HN TRP 40 23.317 1.342 -5.976 307 HA TRP 40 HA TRP 40 20.576 1.917 -6.247 308 1HB TRP 40 HB2 TRP 40 22.852 3.003 -7.901 309 2HB TRP 40 HB1 TRP 40 21.237 3.686 -7.826 310 HD1 TRP 40 HD1 TRP 40 24.332 4.761 -6.796 311 HE1 TRP 40 HE1 TRP 40 24.383 5.935 -4.513 312 HE3 TRP 40 HE3 TRP 40 19.822 3.198 -4.924 313 HZ2 TRP 40 HZ2 TRP 40 22.763 6.159 -2.243 314 HZ3 TRP 40 HZ3 TRP 40 19.177 3.944 -2.696 315 HH2 TRP 40 HH2 TRP 40 20.590 5.391 -1.397 316 H ALA 41 HN ALA 41 22.852 0.379 -8.344 317 HA ALA 41 HA ALA 41 21.089 0.201 -10.583 318 1HB ALA 41 HB2 ALA 41 22.711 -1.394 -11.502 319 2HB ALA 41 HB1 ALA 41 23.531 0.019 -10.834 320 3HB ALA 41 HB3 ALA 41 23.507 -1.495 -9.930 321 H ALA 42 HN ALA 42 21.768 -1.817 -7.828 322 HA ALA 42 HA ALA 42 20.318 -4.075 -8.685 323 1HB ALA 42 HB2 ALA 42 20.901 -3.146 -5.881 324 2HB ALA 42 HB1 ALA 42 20.404 -4.777 -6.356 325 3HB ALA 42 HB3 ALA 42 21.969 -4.133 -6.865 326 H TYR 43 HN TYR 43 19.368 -1.153 -6.893 327 HA TYR 43 HA TYR 43 16.615 -2.170 -6.866 328 1HB TYR 43 HB2 TYR 43 17.989 -0.151 -5.099 329 2HB TYR 43 HB1 TYR 43 16.267 -0.492 -5.055 330 HD1 TYR 43 HD1 TYR 43 19.596 -1.823 -4.243 331 HD2 TYR 43 HD2 TYR 43 15.420 -2.571 -4.210 332 HE1 TYR 43 HE1 TYR 43 19.949 -3.755 -2.761 333 HE2 TYR 43 HE2 TYR 43 15.759 -4.486 -2.737 334 HH TYR 43 HH TYR 43 18.786 -5.136 -1.238 335 H ALA 44 HN ALA 44 18.226 -0.574 -8.972 336 HA ALA 44 HA ALA 44 17.228 1.891 -9.343 337 1HB ALA 44 HB3 ALA 44 17.638 -0.132 -11.538 338 2HB ALA 44 HB1 ALA 44 18.897 0.850 -10.787 339 3HB ALA 44 HB2 ALA 44 17.623 1.623 -11.729 340 H GLY 45 HN GLY 45 15.466 -1.087 -9.862 341 1HA GLY 45 HA1 GLY 45 13.350 -1.481 -10.750 342 2HA GLY 45 HA2 GLY 45 13.313 0.179 -11.317 343 H TRP 46 HN TRP 46 14.062 -0.158 -7.994 344 HA TRP 46 HA TRP 46 11.364 0.003 -7.039 345 1HB TRP 46 HB2 TRP 46 14.037 0.355 -5.668 346 2HB TRP 46 HB1 TRP 46 12.476 0.237 -4.866 347 HD1 TRP 46 HD1 TRP 46 14.589 -1.966 -7.256 348 HE1 TRP 46 HE1 TRP 46 14.372 -4.396 -6.456 349 HE3 TRP 46 HE3 TRP 46 11.495 -1.216 -3.295 350 HZ2 TRP 46 HZ2 TRP 46 13.080 -5.798 -4.410 351 HZ3 TRP 46 HZ3 TRP 46 10.814 -3.143 -1.966 352 HH2 TRP 46 HH2 TRP 46 11.597 -5.398 -2.525 353 H THR 47 HN THR 47 10.566 1.922 -5.924 354 HA THR 47 HA THR 47 11.481 4.406 -7.004 355 HB THR 47 HB THR 47 9.418 3.782 -4.918 356 HG1 THR 47 HG1 THR 47 9.322 3.470 -7.713 357 1HG2 THR 47 2HG2 THR 47 10.001 6.100 -5.093 358 2HG2 THR 47 1HG2 THR 47 9.681 6.090 -6.837 359 3HG2 THR 47 3HG2 THR 47 8.358 5.837 -5.683 360 H LEU 48 HN LEU 48 13.154 5.424 -5.921 361 HA LEU 48 HA LEU 48 13.856 4.764 -3.224 362 1HB LEU 48 HB2 LEU 48 15.503 5.415 -5.023 363 2HB LEU 48 HB1 LEU 48 14.821 7.015 -5.031 364 HG LEU 48 HG LEU 48 17.074 6.709 -3.892 365 1HD1 LEU 48 1HD1 LEU 48 15.761 8.721 -3.509 366 2HD1 LEU 48 3HD1 LEU 48 14.948 7.926 -2.145 367 3HD1 LEU 48 2HD1 LEU 48 16.698 8.206 -2.113 368 1HD2 LEU 48 1HD2 LEU 48 16.633 4.654 -2.718 369 2HD2 LEU 48 3HD2 LEU 48 17.072 5.942 -1.596 370 3HD2 LEU 48 2HD2 LEU 48 15.388 5.461 -1.751 371 H VAL 49 HN VAL 49 12.618 5.463 -1.603 372 HA VAL 49 HA VAL 49 11.026 7.831 -2.046 373 HB VAL 49 HB VAL 49 10.976 5.983 0.417 374 1HG1 VAL 49 2HG1 VAL 49 9.125 8.196 -0.414 375 2HG1 VAL 49 1HG1 VAL 49 8.915 7.102 0.959 376 3HG1 VAL 49 3HG1 VAL 49 10.273 8.225 0.927 377 1HG2 VAL 49 3HG2 VAL 49 10.267 4.874 -1.643 378 2HG2 VAL 49 2HG2 VAL 49 8.920 5.135 -0.531 379 3HG2 VAL 49 1HG2 VAL 49 9.117 6.175 -1.942 380 H GLU 50 HN GLU 50 13.534 6.683 0.181 381 HA GLU 50 HA GLU 50 14.679 9.278 0.179 382 1HB GLU 50 HB2 GLU 50 14.612 9.692 2.584 383 2HB GLU 50 HB1 GLU 50 12.978 9.637 1.939 384 1HG GLU 50 HG2 GLU 50 12.637 7.492 2.850 385 2HG GLU 50 HG1 GLU 50 14.332 7.337 3.316 386 H GLN 51 HN GLN 51 16.683 9.266 1.357 387 HA GLN 51 HA GLN 51 17.619 6.724 2.321 388 1HB GLN 51 HB2 GLN 51 19.714 6.949 1.029 389 2HB GLN 51 HB1 GLN 51 18.262 6.686 0.067 390 1HG GLN 51 HG2 GLN 51 18.215 8.965 -0.630 391 2HG GLN 51 HG1 GLN 51 19.558 9.367 0.444 392 1HE2 GLN 51 1HE2 GLN 51 18.613 7.580 -2.340 393 2HE2 GLN 51 2HE2 GLN 51 20.200 7.330 -2.995 394 H LYS 52 HN LYS 52 19.299 6.863 3.735 395 HA LYS 52 HA LYS 52 20.494 9.379 4.354 396 1HB LYS 52 HB2 LYS 52 20.052 8.896 6.858 397 2HB LYS 52 HB1 LYS 52 18.745 9.608 5.908 398 1HG LYS 52 HG2 LYS 52 17.621 7.476 5.806 399 2HG LYS 52 HG1 LYS 52 19.023 6.689 6.528 400 1HD LYS 52 HD2 LYS 52 17.254 6.915 8.136 401 2HD LYS 52 HD1 LYS 52 18.651 7.861 8.615 402 1HE LYS 52 HE2 LYS 52 16.948 9.352 8.999 403 2HE LYS 52 HE1 LYS 52 17.476 9.680 7.334 404 1HZ LYS 52 HZ2 LYS 52 15.131 7.958 7.958 405 2HZ LYS 52 HZ1 LYS 52 15.024 9.593 7.649 406 3HZ LYS 52 HZ3 LYS 52 15.528 8.565 6.447 407 H LYS 53 HN LYS 53 22.155 8.811 6.270 408 HA LYS 53 HA LYS 53 23.816 6.923 4.964 409 1HB LYS 53 HB2 LYS 53 24.701 8.998 5.991 410 2HB LYS 53 HB1 LYS 53 24.337 8.338 7.578 411 1HG LYS 53 HG2 LYS 53 26.685 8.071 7.082 412 2HG LYS 53 HG1 LYS 53 25.905 6.490 7.145 413 1HD LYS 53 HD2 LYS 53 25.779 6.448 4.697 414 2HD LYS 53 HD1 LYS 53 26.536 8.040 4.629 415 1HE LYS 53 HE2 LYS 53 27.774 5.533 5.750 416 2HE LYS 53 HE1 LYS 53 28.122 6.239 4.172 417 1HZ LYS 53 HZ1 LYS 53 28.913 8.245 5.343 418 2HZ LYS 53 HZ3 LYS 53 28.743 7.436 6.830 419 3HZ LYS 53 HZ2 LYS 53 29.792 6.856 5.676 420 H GLY 54 HN GLY 54 23.062 4.914 5.115 421 1HA GLY 54 HA1 GLY 54 23.173 3.725 7.808 422 2HA GLY 54 HA2 GLY 54 23.759 2.918 6.361 423 H TYR 55 HN TYR 55 20.822 4.726 5.912 424 HA TYR 55 HA TYR 55 19.450 2.222 5.710 425 1HB TYR 55 HB2 TYR 55 18.717 2.865 7.828 426 2HB TYR 55 HB1 TYR 55 18.791 4.569 7.454 427 HD1 TYR 55 HD1 TYR 55 17.106 5.643 6.361 428 HD2 TYR 55 HD2 TYR 55 16.692 1.550 7.165 429 HE1 TYR 55 HE1 TYR 55 14.713 5.844 5.845 430 HE2 TYR 55 HE2 TYR 55 14.282 1.657 6.657 431 HH TYR 55 HH TYR 55 12.493 3.130 6.352 432 H VAL 56 HN VAL 56 18.198 2.159 3.974 433 HA VAL 56 HA VAL 56 17.670 4.638 2.526 434 HB VAL 56 HB VAL 56 18.690 2.021 1.325 435 1HG1 VAL 56 2HG1 VAL 56 17.709 4.493 -0.080 436 2HG1 VAL 56 1HG1 VAL 56 18.460 3.098 -0.855 437 3HG1 VAL 56 3HG1 VAL 56 16.896 2.928 -0.058 438 1HG2 VAL 56 1HG2 VAL 56 20.438 3.543 2.191 439 2HG2 VAL 56 3HG2 VAL 56 20.501 3.369 0.437 440 3HG2 VAL 56 2HG2 VAL 56 19.802 4.817 1.133 441 H LEU 57 HN LEU 57 15.616 4.712 1.592 442 HA LEU 57 HA LEU 57 13.905 2.437 2.212 443 1HB LEU 57 HB2 LEU 57 13.257 4.167 3.626 444 2HB LEU 57 HB1 LEU 57 13.511 5.385 2.396 445 HG LEU 57 HG LEU 57 11.541 4.552 1.208 446 1HD1 LEU 57 1HD1 LEU 57 11.518 2.309 1.930 447 2HD1 LEU 57 3HD1 LEU 57 10.914 2.846 3.538 448 3HD1 LEU 57 2HD1 LEU 57 10.025 3.239 2.034 449 1HD2 LEU 57 1HD2 LEU 57 11.172 5.467 4.031 450 2HD2 LEU 57 3HD2 LEU 57 11.168 6.435 2.547 451 3HD2 LEU 57 2HD2 LEU 57 9.863 5.307 2.870 452 H PHE 58 HN PHE 58 13.307 1.402 0.513 453 HA PHE 58 HA PHE 58 12.688 2.800 -2.027 454 1HB PHE 58 HB2 PHE 58 14.227 0.290 -1.520 455 2HB PHE 58 HB1 PHE 58 13.190 0.353 -2.926 456 HD1 PHE 58 HD1 PHE 58 13.619 2.135 -4.627 457 HD2 PHE 58 HD2 PHE 58 16.373 1.205 -1.555 458 HE1 PHE 58 HE1 PHE 58 15.410 3.164 -5.948 459 HE2 PHE 58 HE2 PHE 58 18.180 2.230 -2.889 460 HZ PHE 58 HZ PHE 58 17.696 3.205 -5.079 461 H ARG 59 HN ARG 59 10.932 2.135 -3.124 462 HA ARG 59 HA ARG 59 9.405 -0.033 -1.904 463 1HB ARG 59 HB2 ARG 59 7.291 1.133 -2.413 464 2HB ARG 59 HB1 ARG 59 8.289 1.997 -1.249 465 1HG ARG 59 HG2 ARG 59 8.950 3.574 -2.903 466 2HG ARG 59 HG1 ARG 59 8.118 2.616 -4.147 467 1HD ARG 59 HD2 ARG 59 6.914 4.625 -3.338 468 2HD ARG 59 HD1 ARG 59 6.008 3.116 -3.277 469 HE ARG 59 HE ARG 59 7.298 3.570 -0.785 470 1HH1 ARG 59 1HH1 ARG 59 4.572 4.828 -2.687 471 2HH1 ARG 59 2HH1 ARG 59 3.628 5.224 -1.332 472 1HH2 ARG 59 1HH2 ARG 59 5.991 4.013 1.033 473 2HH2 ARG 59 2HH2 ARG 59 4.452 4.749 0.879 474 H LYS 60 HN LYS 60 8.435 -1.382 -3.193 475 HA LYS 60 HA LYS 60 8.544 -0.987 -6.088 476 1HB LYS 60 HB2 LYS 60 10.354 -2.442 -5.537 477 2HB LYS 60 HB1 LYS 60 9.335 -3.415 -4.478 478 1HG LYS 60 HG2 LYS 60 9.508 -4.724 -6.388 479 2HG LYS 60 HG1 LYS 60 8.011 -3.847 -6.687 480 1HD LYS 60 HD2 LYS 60 9.273 -3.756 -8.720 481 2HD LYS 60 HD1 LYS 60 9.400 -2.164 -7.962 482 1HE LYS 60 HE2 LYS 60 11.559 -2.486 -7.271 483 2HE LYS 60 HE1 LYS 60 11.497 -4.218 -7.449 484 1HZ LYS 60 HZ3 LYS 60 11.281 -2.343 -9.753 485 2HZ LYS 60 HZ2 LYS 60 12.714 -3.147 -9.301 486 3HZ LYS 60 HZ1 LYS 60 11.393 -4.006 -9.817 487 H GLN 61 HN GLN 61 6.606 -0.985 -6.705 488 HA GLN 61 HA GLN 61 4.598 -2.356 -5.207 489 1HB GLN 61 HB2 GLN 61 3.105 -0.944 -6.673 490 2HB GLN 61 HB1 GLN 61 3.949 -0.156 -5.386 491 1HG GLN 61 HG2 GLN 61 4.699 -0.178 -8.244 492 2HG GLN 61 HG1 GLN 61 3.802 1.107 -7.360 493 1HE2 GLN 61 1HE2 GLN 61 5.016 2.364 -5.847 494 2HE2 GLN 61 2HE2 GLN 61 6.732 2.516 -5.987 495 H MET 62 HN MET 62 2.983 -3.474 -6.287 496 HA MET 62 HA MET 62 4.067 -4.885 -8.623 497 1HB MET 62 HB2 MET 62 2.213 -5.935 -6.474 498 2HB MET 62 HB1 MET 62 2.863 -6.863 -7.811 499 1HG MET 62 HG2 MET 62 4.437 -5.668 -5.536 500 2HG MET 62 HG1 MET 62 4.027 -7.366 -5.738 501 1HE MET 62 HE2 MET 62 6.613 -7.931 -5.328 502 2HE MET 62 HE1 MET 62 7.924 -7.255 -6.296 503 3HE MET 62 HE3 MET 62 7.007 -6.220 -5.209 504 H ASP 63 HN ASP 63 2.279 -5.923 -9.912 505 HA ASP 63 HA ASP 63 0.198 -3.955 -10.421 506 1HB ASP 63 HB2 ASP 63 1.424 -4.876 -12.338 507 2HB ASP 63 HB1 ASP 63 0.963 -6.509 -11.869 508 H ASP 64 HN ASP 64 0.701 -6.896 -8.890 509 HA ASP 64 HA ASP 64 -2.124 -7.607 -8.761 510 1HB ASP 64 HB2 ASP 64 -0.555 -9.405 -9.267 511 2HB ASP 64 HB1 ASP 64 0.364 -9.044 -7.815 512 H ILE 65 HN ILE 65 -3.113 -7.993 -6.707 513 HA ILE 65 HA ILE 65 -2.504 -5.946 -4.785 514 HB ILE 65 HB ILE 65 -4.560 -6.725 -3.604 515 1HG1 ILE 65 2HG1 ILE 65 -4.556 -8.764 -5.827 516 2HG1 ILE 65 1HG1 ILE 65 -4.468 -9.077 -4.109 517 1HG2 ILE 65 3HG2 ILE 65 -4.837 -6.217 -6.555 518 2HG2 ILE 65 2HG2 ILE 65 -6.135 -6.045 -5.370 519 3HG2 ILE 65 1HG2 ILE 65 -4.715 -5.003 -5.282 520 1HD1 ILE 65 3HD1 ILE 65 -6.898 -7.945 -5.527 521 2HD1 ILE 65 2HD1 ILE 65 -6.688 -9.610 -5.000 522 3HD1 ILE 65 1HD1 ILE 65 -6.761 -8.323 -3.804 523 H SER 66 HN SER 66 -2.814 -6.571 -2.388 524 HA SER 66 HA SER 66 -0.396 -7.675 -1.574 525 1HB SER 66 HB2 SER 66 -1.270 -7.438 0.724 526 2HB SER 66 HB1 SER 66 -1.569 -6.011 -0.272 527 HG SER 66 HG SER 66 -3.498 -6.223 0.174 528 HA PRO 67 HA PRO 67 -1.062 -12.013 -0.872 529 1HB PRO 67 HB2 PRO 67 0.365 -12.376 1.427 530 2HB PRO 67 HB1 PRO 67 1.114 -12.219 -0.163 531 1HG PRO 67 HG2 PRO 67 0.774 -10.161 1.980 532 2HG PRO 67 HG1 PRO 67 2.184 -10.482 0.954 533 1HD PRO 67 HD2 PRO 67 0.496 -8.456 0.461 534 2HD PRO 67 HD1 PRO 67 1.281 -9.356 -0.849 535 H LEU 68 HN LEU 68 -1.794 -9.617 1.519 536 HA LEU 68 HA LEU 68 -3.140 -11.440 3.274 537 1HB LEU 68 HB2 LEU 68 -1.866 -9.141 3.749 538 2HB LEU 68 HB1 LEU 68 -3.466 -8.487 3.507 539 HG LEU 68 HG LEU 68 -2.983 -8.793 5.885 540 1HD1 LEU 68 3HD1 LEU 68 -5.312 -9.051 5.167 541 2HD1 LEU 68 2HD1 LEU 68 -5.029 -10.788 4.983 542 3HD1 LEU 68 1HD1 LEU 68 -4.922 -10.050 6.574 543 1HD2 LEU 68 1HD2 LEU 68 -1.396 -10.633 5.662 544 2HD2 LEU 68 3HD2 LEU 68 -2.646 -10.984 6.853 545 3HD2 LEU 68 2HD2 LEU 68 -2.722 -11.728 5.258 546 H SER 69 HN SER 69 -4.051 -9.071 0.751 547 HA SER 69 HA SER 69 -6.791 -9.245 1.302 548 1HB SER 69 HB2 SER 69 -7.024 -8.379 -1.080 549 2HB SER 69 HB1 SER 69 -6.036 -7.396 0.000 550 HG SER 69 HG SER 69 -4.305 -7.905 -1.064 551 H LYS 70 HN LYS 70 -4.631 -11.306 -0.368 552 HA LYS 70 HA LYS 70 -6.408 -13.035 -1.720 553 1HB LYS 70 HB2 LYS 70 -3.928 -13.934 -0.253 554 2HB LYS 70 HB1 LYS 70 -4.657 -14.659 -1.674 555 1HG LYS 70 HG2 LYS 70 -3.334 -11.960 -1.612 556 2HG LYS 70 HG1 LYS 70 -2.543 -13.453 -2.088 557 1HD LYS 70 HD2 LYS 70 -4.067 -13.699 -3.946 558 2HD LYS 70 HD1 LYS 70 -4.955 -12.255 -3.434 559 1HE LYS 70 HE2 LYS 70 -3.058 -10.865 -3.821 560 2HE LYS 70 HE1 LYS 70 -2.025 -12.261 -4.103 561 1HZ LYS 70 HZ1 LYS 70 -4.309 -11.445 -5.832 562 2HZ LYS 70 HZ3 LYS 70 -2.677 -11.155 -6.143 563 3HZ LYS 70 HZ2 LYS 70 -3.235 -12.724 -6.118 564 H VAL 71 HN VAL 71 -5.253 -12.928 1.644 565 HA VAL 71 HA VAL 71 -6.361 -15.541 2.261 566 HB VAL 71 HB VAL 71 -5.236 -15.468 4.342 567 1HG1 VAL 71 1HG1 VAL 71 -3.697 -15.662 2.500 568 2HG1 VAL 71 3HG1 VAL 71 -3.603 -13.897 2.448 569 3HG1 VAL 71 2HG1 VAL 71 -2.961 -14.759 3.848 570 1HG2 VAL 71 2HG2 VAL 71 -4.906 -12.505 4.038 571 2HG2 VAL 71 1HG2 VAL 71 -5.991 -13.310 5.173 572 3HG2 VAL 71 3HG2 VAL 71 -4.240 -13.477 5.353 573 H ASN 72 HN ASN 72 -7.112 -12.317 2.617 574 HA ASN 72 HA ASN 72 -9.577 -13.033 4.028 575 1HB ASN 72 HB2 ASN 72 -8.088 -12.120 5.698 576 2HB ASN 72 HB1 ASN 72 -7.747 -10.722 4.691 577 1HD2 ASN 72 1HD2 ASN 72 -10.089 -12.290 6.710 578 2HD2 ASN 72 2HD2 ASN 72 -11.082 -10.913 6.954 579 H GLY 73 HN GLY 73 -8.296 -9.953 2.945 580 1HA GLY 73 HA1 GLY 73 -9.761 -9.756 0.552 581 2HA GLY 73 HA2 GLY 73 -9.048 -8.413 1.419 582 H TYR 74 HN TYR 74 -10.421 -6.883 2.276 583 HA TYR 74 HA TYR 74 -13.192 -7.135 1.935 584 1HB TYR 74 HB2 TYR 74 -11.959 -6.970 4.709 585 2HB TYR 74 HB1 TYR 74 -13.512 -6.249 4.352 586 HD1 TYR 74 HD1 TYR 74 -15.236 -7.955 3.264 587 HD2 TYR 74 HD2 TYR 74 -11.940 -9.075 5.651 588 HE1 TYR 74 HE1 TYR 74 -16.403 -10.019 3.875 589 HE2 TYR 74 HE2 TYR 74 -13.080 -11.159 6.258 590 HH TYR 74 HH TYR 74 -15.668 -12.329 4.593 591 H ILE 75 HN ILE 75 -13.954 -5.149 1.683 592 HA ILE 75 HA ILE 75 -12.036 -2.969 1.897 593 HB ILE 75 HB ILE 75 -14.416 -3.495 0.204 594 1HG1 ILE 75 2HG1 ILE 75 -11.697 -2.445 -0.518 595 2HG1 ILE 75 1HG1 ILE 75 -12.168 -4.132 -0.564 596 1HG2 ILE 75 3HG2 ILE 75 -14.786 -1.186 1.067 597 2HG2 ILE 75 2HG2 ILE 75 -13.152 -0.719 0.593 598 3HG2 ILE 75 1HG2 ILE 75 -14.350 -1.090 -0.636 599 1HD1 ILE 75 1HD1 ILE 75 -13.824 -3.547 -2.347 600 2HD1 ILE 75 3HD1 ILE 75 -13.281 -1.879 -2.274 601 3HD1 ILE 75 2HD1 ILE 75 -12.182 -3.127 -2.816 602 H GLY 76 HN GLY 76 -12.409 -1.493 3.392 603 1HA GLY 76 HA1 GLY 76 -13.174 -1.550 5.672 604 2HA GLY 76 HA2 GLY 76 -14.761 -1.978 5.048 605 H VAL 77 HN VAL 77 -16.055 -0.482 4.277 606 HA VAL 77 HA VAL 77 -14.996 2.191 4.519 607 HB VAL 77 HB VAL 77 -17.401 1.267 3.049 608 1HG1 VAL 77 1HG1 VAL 77 -16.174 4.020 3.218 609 2HG1 VAL 77 3HG1 VAL 77 -17.462 3.572 2.102 610 3HG1 VAL 77 2HG1 VAL 77 -17.749 3.537 3.848 611 1HG2 VAL 77 1HG2 VAL 77 -14.709 2.126 2.073 612 2HG2 VAL 77 3HG2 VAL 77 -15.461 0.550 1.886 613 3HG2 VAL 77 2HG2 VAL 77 -16.095 1.945 1.006 614 H SER 78 HN SER 78 -15.522 3.262 6.063 615 HA SER 78 HA SER 78 -17.403 2.171 7.993 616 1HB SER 78 HB2 SER 78 -15.641 4.618 8.232 617 2HB SER 78 HB1 SER 78 -16.356 3.663 9.536 618 HG SER 78 HG SER 78 -14.970 2.056 7.946 619 H ASP 79 HN ASP 79 -18.944 3.770 9.022 620 HA ASP 79 HA ASP 79 -20.880 4.578 7.279 621 1HB ASP 79 HB2 ASP 79 -21.268 4.289 9.659 622 2HB ASP 79 HB1 ASP 79 -20.354 5.754 10.005 623 H ASN 80 HN ASN 80 -18.234 6.542 8.366 624 HA ASN 80 HA ASN 80 -19.302 8.947 7.186 625 1HB ASN 80 HB2 ASN 80 -16.644 8.355 8.465 626 2HB ASN 80 HB1 ASN 80 -17.039 9.914 7.756 627 1HD2 ASN 80 1HD2 ASN 80 -17.593 7.756 10.403 628 2HD2 ASN 80 2HD2 ASN 80 -18.469 8.864 11.380 629 H GLY 81 HN GLY 81 -18.232 6.356 5.662 630 1HA GLY 81 HA1 GLY 81 -17.576 7.848 3.303 631 2HA GLY 81 HA2 GLY 81 -17.825 6.113 3.453 632 H VAL 82 HN VAL 82 -16.007 5.810 5.542 633 HA VAL 82 HA VAL 82 -13.422 6.743 4.625 634 HB VAL 82 HB VAL 82 -13.972 4.612 6.703 635 1HG1 VAL 82 2HG1 VAL 82 -11.615 6.435 6.291 636 2HG1 VAL 82 1HG1 VAL 82 -11.810 5.290 7.622 637 3HG1 VAL 82 3HG1 VAL 82 -11.672 4.701 5.964 638 1HG2 VAL 82 3HG2 VAL 82 -13.820 7.601 7.036 639 2HG2 VAL 82 2HG2 VAL 82 -15.231 6.575 7.261 640 3HG2 VAL 82 1HG2 VAL 82 -13.864 6.436 8.371 641 H ILE 83 HN ILE 83 -12.520 5.883 2.923 642 HA ILE 83 HA ILE 83 -13.381 3.365 1.810 643 HB ILE 83 HB ILE 83 -11.482 5.380 0.526 644 1HG1 ILE 83 2HG1 ILE 83 -13.575 6.475 1.040 645 2HG1 ILE 83 1HG1 ILE 83 -13.531 6.135 -0.688 646 1HG2 ILE 83 2HG2 ILE 83 -13.176 3.147 -0.666 647 2HG2 ILE 83 1HG2 ILE 83 -12.226 4.315 -1.609 648 3HG2 ILE 83 3HG2 ILE 83 -11.428 3.157 -0.540 649 1HD1 ILE 83 3HD1 ILE 83 -14.934 4.491 1.381 650 2HD1 ILE 83 2HD1 ILE 83 -15.738 5.648 0.299 651 3HD1 ILE 83 1HD1 ILE 83 -14.964 4.197 -0.353 652 H SER 84 HN SER 84 -12.042 2.698 3.954 653 HA SER 84 HA SER 84 -9.192 2.308 3.104 654 1HB SER 84 HB2 SER 84 -10.354 2.074 5.882 655 2HB SER 84 HB1 SER 84 -8.641 2.042 5.435 656 HG SER 84 HG SER 84 -10.276 4.127 4.662 657 H THR 85 HN THR 85 -8.267 0.170 3.188 658 HA THR 85 HA THR 85 -10.337 -1.824 3.280 659 HB THR 85 HB THR 85 -8.516 -3.420 2.528 660 HG1 THR 85 HG1 THR 85 -6.798 -1.803 1.487 661 1HG2 THR 85 1HG2 THR 85 -9.047 -0.992 0.812 662 2HG2 THR 85 3HG2 THR 85 -8.454 -2.546 0.228 663 3HG2 THR 85 2HG2 THR 85 -10.065 -2.426 0.934 664 H PHE 86 HN PHE 86 -10.236 -3.684 4.584 665 HA PHE 86 HA PHE 86 -8.667 -3.335 7.021 666 1HB PHE 86 HB2 PHE 86 -11.631 -3.855 6.789 667 2HB PHE 86 HB1 PHE 86 -10.723 -4.249 8.235 668 HD1 PHE 86 HD1 PHE 86 -11.108 -1.331 5.969 669 HD2 PHE 86 HD2 PHE 86 -10.963 -2.770 9.926 670 HE1 PHE 86 HE1 PHE 86 -11.629 0.943 6.807 671 HE2 PHE 86 HE2 PHE 86 -11.446 -0.521 10.792 672 HZ PHE 86 HZ PHE 86 -11.781 1.346 9.227 673 H HIS 87 HN HIS 87 -8.227 -5.328 8.060 674 HA HIS 87 HA HIS 87 -8.792 -7.601 6.352 675 1HB HIS 87 HB2 HIS 87 -6.951 -8.815 7.493 676 2HB HIS 87 HB1 HIS 87 -6.386 -7.337 6.746 677 HD1 HIS 87 HD1 HIS 87 -5.972 -9.237 9.691 678 HD2 HIS 87 HD2 HIS 87 -6.220 -5.176 8.878 679 HE1 HIS 87 HE1 HIS 87 -4.926 -8.067 11.659 680 H GLY 88 HN GLY 88 -10.534 -8.441 6.807 681 1HA GLY 88 HA1 GLY 88 -11.320 -8.863 9.609 682 2HA GLY 88 HA2 GLY 88 -11.805 -9.899 8.262 683 H ARG 89 HN ARG 89 -13.924 -9.324 9.236 684 HA ARG 89 HA ARG 89 -15.483 -7.662 7.725 685 1HB ARG 89 HB2 ARG 89 -15.809 -8.607 10.576 686 2HB ARG 89 HB1 ARG 89 -16.984 -7.636 9.688 687 1HG ARG 89 HG2 ARG 89 -16.081 -10.110 8.400 688 2HG ARG 89 HG1 ARG 89 -17.187 -10.237 9.775 689 1HD ARG 89 HD2 ARG 89 -17.621 -8.582 7.277 690 2HD ARG 89 HD1 ARG 89 -18.449 -10.073 7.710 691 HE ARG 89 HE ARG 89 -18.653 -8.033 9.708 692 1HH1 ARG 89 1HH1 ARG 89 -20.163 -9.420 6.846 693 2HH1 ARG 89 2HH1 ARG 89 -21.680 -8.690 7.131 694 1HH2 ARG 89 1HH2 ARG 89 -20.709 -7.024 10.094 695 2HH2 ARG 89 2HH2 ARG 89 -21.983 -7.290 9.007 696 HA PRO 90 HA PRO 90 -14.003 -3.732 9.138 697 1HB PRO 90 HB2 PRO 90 -15.698 -2.188 7.638 698 2HB PRO 90 HB1 PRO 90 -14.191 -2.893 7.054 699 1HG PRO 90 HG2 PRO 90 -16.974 -3.702 6.527 700 2HG PRO 90 HG1 PRO 90 -15.521 -3.966 5.558 701 1HD PRO 90 HD2 PRO 90 -16.823 -5.844 7.165 702 2HD PRO 90 HD1 PRO 90 -15.208 -6.029 6.470 703 H GLU 91 HN GLU 91 -14.503 -3.460 11.081 704 HA GLU 91 HA GLU 91 -16.986 -2.133 11.784 705 1HB GLU 91 HB2 GLU 91 -17.118 -3.603 13.861 706 2HB GLU 91 HB1 GLU 91 -17.382 -4.463 12.363 707 1HG GLU 91 HG2 GLU 91 -15.064 -5.273 12.435 708 2HG GLU 91 HG1 GLU 91 -14.850 -4.437 13.971 709 HA PRO 92 HA PRO 92 -14.066 0.418 13.954 710 1HB PRO 92 HB2 PRO 92 -15.032 0.709 16.489 711 2HB PRO 92 HB1 PRO 92 -15.623 1.661 15.110 712 1HG PRO 92 HG2 PRO 92 -16.840 -0.638 16.529 713 2HG PRO 92 HG1 PRO 92 -17.632 0.667 15.641 714 1HD PRO 92 HD2 PRO 92 -17.257 -1.928 14.740 715 2HD PRO 92 HD1 PRO 92 -17.612 -0.536 13.677 716 H ALA 93 HN ALA 93 -14.762 -2.587 15.140 717 HA ALA 93 HA ALA 93 -12.632 -2.626 17.072 718 1HB ALA 93 HB2 ALA 93 -14.729 -3.755 17.509 719 2HB ALA 93 HB3 ALA 93 -13.368 -4.882 17.521 720 3HB ALA 93 HB1 ALA 93 -14.456 -4.813 16.131 721 H SER 94 HN SER 94 -12.891 -2.934 13.732 722 HA SER 94 HA SER 94 -10.787 -4.925 13.676 723 1HB SER 94 HB2 SER 94 -11.122 -4.842 11.186 724 2HB SER 94 HB1 SER 94 -12.500 -5.463 12.098 725 HG SER 94 HG SER 94 -12.665 -2.777 11.754 726 H GLU 95 HN GLU 95 -8.947 -4.543 12.151 727 HA GLU 95 HA GLU 95 -7.839 -1.952 12.830 728 1HB GLU 95 HB2 GLU 95 -6.594 -4.488 11.807 729 2HB GLU 95 HB1 GLU 95 -5.703 -3.004 12.093 730 1HG GLU 95 HG2 GLU 95 -6.255 -3.083 14.436 731 2HG GLU 95 HG1 GLU 95 -7.262 -4.507 14.164 732 HA PRO 96 HA PRO 96 -8.334 -0.730 8.524 733 1HB PRO 96 HB2 PRO 96 -7.013 1.725 9.402 734 2HB PRO 96 HB1 PRO 96 -8.633 1.529 8.733 735 1HG PRO 96 HG2 PRO 96 -8.167 2.179 11.314 736 2HG PRO 96 HG1 PRO 96 -9.591 1.260 10.789 737 1HD PRO 96 HD2 PRO 96 -7.095 0.311 12.117 738 2HD PRO 96 HD1 PRO 96 -8.771 -0.246 12.308 739 H ILE 97 HN ILE 97 -6.896 -1.076 7.036 740 HA ILE 97 HA ILE 97 -4.200 -1.703 7.759 741 HB ILE 97 HB ILE 97 -5.583 -1.629 5.071 742 1HG1 ILE 97 2HG1 ILE 97 -4.947 -3.999 6.844 743 2HG1 ILE 97 1HG1 ILE 97 -6.509 -3.191 6.792 744 1HG2 ILE 97 2HG2 ILE 97 -3.152 -1.448 4.869 745 2HG2 ILE 97 1HG2 ILE 97 -2.962 -2.907 5.851 746 3HG2 ILE 97 3HG2 ILE 97 -3.745 -2.989 4.269 747 1HD1 ILE 97 1HD1 ILE 97 -5.193 -4.559 4.449 748 2HD1 ILE 97 3HD1 ILE 97 -6.480 -5.224 5.466 749 3HD1 ILE 97 2HD1 ILE 97 -6.798 -3.794 4.501 750 H GLN 98 HN GLN 98 -5.768 0.759 5.731 751 HA GLN 98 HA GLN 98 -3.629 2.639 6.161 752 1HB GLN 98 HB2 GLN 98 -2.962 2.859 3.879 753 2HB GLN 98 HB1 GLN 98 -3.140 1.125 4.017 754 1HG GLN 98 HG2 GLN 98 -5.172 3.025 2.826 755 2HG GLN 98 HG1 GLN 98 -4.083 1.966 1.937 756 1HE2 GLN 98 1HE2 GLN 98 -4.402 -0.268 3.579 757 2HE2 GLN 98 2HE2 GLN 98 -6.009 -0.875 3.281 758 H SER 99 HN SER 99 -4.626 4.597 4.412 759 HA SER 99 HA SER 99 -7.463 4.283 4.386 760 1HB SER 99 HB2 SER 99 -6.081 6.737 5.514 761 2HB SER 99 HB1 SER 99 -7.821 6.563 5.272 762 HG SER 99 HG SER 99 -7.136 4.476 6.591 763 H PHE 100 HN PHE 100 -8.352 5.243 2.500 764 HA PHE 100 HA PHE 100 -6.407 6.513 0.735 765 1HB PHE 100 HB2 PHE 100 -9.009 5.118 0.100 766 2HB PHE 100 HB1 PHE 100 -8.130 6.066 -1.087 767 HD1 PHE 100 HD1 PHE 100 -5.755 5.370 -1.645 768 HD2 PHE 100 HD2 PHE 100 -8.450 2.883 0.496 769 HE1 PHE 100 HE1 PHE 100 -4.397 3.409 -2.237 770 HE2 PHE 100 HE2 PHE 100 -7.086 0.912 -0.087 771 HZ PHE 100 HZ PHE 100 -5.066 1.177 -1.458 772 H PHE 101 HN PHE 101 -9.935 6.868 1.352 773 HA PHE 101 HA PHE 101 -9.666 9.733 1.525 774 1HB PHE 101 HB2 PHE 101 -9.803 8.876 -0.981 775 2HB PHE 101 HB1 PHE 101 -11.494 8.612 -0.593 776 HD1 PHE 101 HD1 PHE 101 -13.002 10.493 -0.358 777 HD2 PHE 101 HD2 PHE 101 -8.861 11.093 -1.086 778 HE1 PHE 101 HE1 PHE 101 -13.442 12.841 -0.935 779 HE2 PHE 101 HE2 PHE 101 -9.292 13.441 -1.663 780 HZ PHE 101 HZ PHE 101 -11.591 14.320 -1.586 781 H GLN 102 HN GLN 102 -12.065 10.625 1.977 782 HA GLN 102 HA GLN 102 -13.753 8.579 3.133 783 1HB GLN 102 HB2 GLN 102 -12.387 9.833 4.788 784 2HB GLN 102 HB1 GLN 102 -13.067 11.337 4.215 785 1HG GLN 102 HG2 GLN 102 -15.241 10.474 4.701 786 2HG GLN 102 HG1 GLN 102 -14.475 9.067 5.448 787 1HE2 GLN 102 1HE2 GLN 102 -13.181 9.385 7.313 788 2HE2 GLN 102 2HE2 GLN 102 -13.380 10.803 8.275 789 H ILE 103 HN ILE 103 -15.826 8.809 2.443 790 HA ILE 103 HA ILE 103 -16.585 11.208 0.863 791 HB ILE 103 HB ILE 103 -17.615 9.824 -0.889 792 1HG1 ILE 103 2HG1 ILE 103 -16.695 7.437 0.743 793 2HG1 ILE 103 1HG1 ILE 103 -18.358 7.990 0.628 794 1HG2 ILE 103 1HG2 ILE 103 -15.233 10.302 -1.092 795 2HG2 ILE 103 3HG2 ILE 103 -14.859 8.786 -0.273 796 3HG2 ILE 103 2HG2 ILE 103 -15.670 8.767 -1.841 797 1HD1 ILE 103 2HD1 ILE 103 -16.681 7.013 -1.658 798 2HD1 ILE 103 1HD1 ILE 103 -17.949 6.094 -0.832 799 3HD1 ILE 103 3HD1 ILE 103 -18.359 7.548 -1.748 800 H ASP 104 HN ASP 104 -19.109 11.204 0.415 801 HA ASP 104 HA ASP 104 -20.350 10.786 2.976 802 1HB ASP 104 HB2 ASP 104 -21.195 12.172 0.446 803 2HB ASP 104 HB1 ASP 104 -22.396 11.798 1.642 804 H LEU 105 HN LEU 105 -20.981 8.762 3.420 805 HA LEU 105 HA LEU 105 -21.775 7.012 1.367 806 1HB LEU 105 HB2 LEU 105 -22.196 6.786 4.326 807 2HB LEU 105 HB1 LEU 105 -22.760 5.592 3.189 808 HG LEU 105 HG LEU 105 -19.971 6.248 4.023 809 1HD1 LEU 105 2HD1 LEU 105 -21.628 3.753 3.841 810 2HD1 LEU 105 1HD1 LEU 105 -19.926 3.794 4.338 811 3HD1 LEU 105 3HD1 LEU 105 -21.162 4.621 5.292 812 1HD2 LEU 105 3HD2 LEU 105 -20.764 4.700 1.541 813 2HD2 LEU 105 2HD2 LEU 105 -19.851 6.212 1.593 814 3HD2 LEU 105 1HD2 LEU 105 -19.149 4.742 2.248 815 H GLU 106 HN GLU 106 -23.483 9.203 3.379 816 HA GLU 106 HA GLU 106 -26.074 8.412 2.721 817 1HB GLU 106 HB2 GLU 106 -26.694 10.774 3.274 818 2HB GLU 106 HB1 GLU 106 -25.759 9.951 4.516 819 1HG GLU 106 HG2 GLU 106 -23.794 11.128 3.931 820 2HG GLU 106 HG1 GLU 106 -24.536 11.789 2.478 821 H ARG 107 HN ARG 107 -23.645 9.873 0.741 822 HA ARG 107 HA ARG 107 -25.666 10.840 -1.093 823 1HB ARG 107 HB2 ARG 107 -24.145 12.367 -1.884 824 2HB ARG 107 HB1 ARG 107 -23.498 12.044 -0.294 825 1HG ARG 107 HG2 ARG 107 -21.823 10.671 -1.065 826 2HG ARG 107 HG1 ARG 107 -22.530 10.626 -2.688 827 1HD ARG 107 HD2 ARG 107 -21.426 13.124 -1.352 828 2HD ARG 107 HD1 ARG 107 -20.601 12.209 -2.615 829 HE ARG 107 HE ARG 107 -23.258 13.038 -3.218 830 1HH1 ARG 107 1HH1 ARG 107 -19.946 14.310 -3.271 831 2HH1 ARG 107 2HH1 ARG 107 -20.128 15.033 -4.803 832 1HH2 ARG 107 1HH2 ARG 107 -23.490 14.139 -5.260 833 2HH2 ARG 107 2HH2 ARG 107 -22.153 14.950 -5.954 834 H LEU 108 HN LEU 108 -23.668 8.196 -0.606 835 HA LEU 108 HA LEU 108 -23.393 7.039 -3.166 836 1HB LEU 108 HB2 LEU 108 -23.635 5.925 -0.447 837 2HB LEU 108 HB1 LEU 108 -24.151 4.840 -1.714 838 HG LEU 108 HG LEU 108 -21.813 4.388 -1.148 839 1HD1 LEU 108 3HD1 LEU 108 -22.487 3.984 -3.316 840 2HD1 LEU 108 2HD1 LEU 108 -22.021 5.619 -3.802 841 3HD1 LEU 108 1HD1 LEU 108 -20.800 4.483 -3.214 842 1HD2 LEU 108 3HD2 LEU 108 -21.432 7.297 -1.693 843 2HD2 LEU 108 2HD2 LEU 108 -21.183 6.318 -0.229 844 3HD2 LEU 108 1HD2 LEU 108 -20.123 6.076 -1.603 845 H GLU 109 HN GLU 109 -24.618 5.388 -4.262 846 HA GLU 109 HA GLU 109 -27.182 6.103 -4.953 847 1HB GLU 109 HB2 GLU 109 -25.969 3.356 -5.203 848 2HB GLU 109 HB1 GLU 109 -27.337 3.965 -6.131 849 1HG GLU 109 HG2 GLU 109 -25.836 5.684 -7.082 850 2HG GLU 109 HG1 GLU 109 -24.492 4.934 -6.226 851 H SER 110 HN SER 110 -26.664 2.894 -3.459 852 HA SER 110 HA SER 110 -28.468 3.493 -1.336 853 1HB SER 110 HB2 SER 110 -30.043 3.070 -3.230 854 2HB SER 110 HB1 SER 110 -29.373 1.449 -3.393 855 HG SER 110 HG SER 110 -31.317 1.604 -2.157 856 H HIS 111 HN HIS 111 -27.953 0.277 -2.804 857 HA HIS 111 HA HIS 111 -27.058 -0.648 -0.233 858 1HB HIS 111 HB2 HIS 111 -27.054 -2.908 -1.155 859 2HB HIS 111 HB1 HIS 111 -28.532 -2.091 -1.625 860 HD1 HIS 111 HD1 HIS 111 -25.895 -4.144 -2.999 861 HD2 HIS 111 HD2 HIS 111 -28.347 -1.108 -4.408 862 HE1 HIS 111 HE1 HIS 111 -25.774 -4.258 -5.512 863 H MET 112 HN MET 112 -25.547 0.651 -2.873 864 HA MET 112 HA MET 112 -23.081 -0.542 -3.122 865 1HB MET 112 HB2 MET 112 -23.919 2.315 -3.228 866 2HB MET 112 HB1 MET 112 -22.215 1.912 -3.335 867 1HG MET 112 HG2 MET 112 -24.342 0.825 -5.166 868 2HG MET 112 HG1 MET 112 -23.320 2.217 -5.529 869 1HE MET 112 HE1 MET 112 -20.695 2.090 -5.814 870 2HE MET 112 HE3 MET 112 -20.523 1.301 -4.252 871 3HE MET 112 HE2 MET 112 -19.754 0.606 -5.675 872 H GLN 113 HN GLN 113 -23.843 2.025 -0.769 873 HA GLN 113 HA GLN 113 -21.363 1.801 0.444 874 1HB GLN 113 HB2 GLN 113 -22.423 3.034 2.365 875 2HB GLN 113 HB1 GLN 113 -22.429 3.875 0.808 876 1HG GLN 113 HG2 GLN 113 -24.637 3.824 0.692 877 2HG GLN 113 HG1 GLN 113 -24.638 2.194 1.416 878 1HE2 GLN 113 1HE2 GLN 113 -24.866 5.587 2.112 879 2HE2 GLN 113 2HE2 GLN 113 -25.214 5.395 3.784 880 H LYS 114 HN LYS 114 -24.594 0.263 1.409 881 HA LYS 114 HA LYS 114 -23.855 -0.996 3.616 882 1HB LYS 114 HB2 LYS 114 -25.622 -1.724 1.318 883 2HB LYS 114 HB1 LYS 114 -25.494 -2.732 2.746 884 1HG LYS 114 HG2 LYS 114 -27.419 -1.311 2.757 885 2HG LYS 114 HG1 LYS 114 -26.310 -0.930 4.114 886 1HD LYS 114 HD2 LYS 114 -25.648 1.056 2.878 887 2HD LYS 114 HD1 LYS 114 -26.747 0.616 1.560 888 1HE LYS 114 HE2 LYS 114 -28.649 0.793 3.057 889 2HE LYS 114 HE1 LYS 114 -27.583 1.117 4.416 890 1HZ LYS 114 HZ2 LYS 114 -27.822 2.894 2.035 891 2HZ LYS 114 HZ1 LYS 114 -28.621 3.121 3.494 892 3HZ LYS 114 HZ3 LYS 114 -26.955 3.181 3.460 893 H ASN 115 HN ASN 115 -23.109 -1.910 0.286 894 HA ASN 115 HA ASN 115 -22.136 -4.498 0.781 895 1HB ASN 115 HB2 ASN 115 -21.193 -2.520 -1.317 896 2HB ASN 115 HB1 ASN 115 -20.749 -4.218 -1.272 897 1HD2 ASN 115 1HD2 ASN 115 -22.003 -2.837 -3.377 898 2HD2 ASN 115 2HD2 ASN 115 -23.526 -3.586 -3.652 899 H LEU 116 HN LEU 116 -20.569 -1.397 0.674 900 HA LEU 116 HA LEU 116 -17.942 -2.240 1.262 901 1HB LEU 116 HB2 LEU 116 -19.139 0.411 1.977 902 2HB LEU 116 HB1 LEU 116 -17.474 -0.009 1.573 903 HG LEU 116 HG LEU 116 -19.706 -0.150 -0.454 904 1HD1 LEU 116 1HD1 LEU 116 -19.476 2.127 0.486 905 2HD1 LEU 116 3HD1 LEU 116 -17.794 2.125 -0.048 906 3HD1 LEU 116 2HD1 LEU 116 -19.101 1.984 -1.221 907 1HD2 LEU 116 2HD2 LEU 116 -17.678 -1.435 -0.956 908 2HD2 LEU 116 1HD2 LEU 116 -17.860 -0.060 -2.042 909 3HD2 LEU 116 3HD2 LEU 116 -16.702 0.016 -0.713 910 H LEU 117 HN LEU 117 -20.716 -1.380 3.239 911 HA LEU 117 HA LEU 117 -19.467 -1.117 5.723 912 1HB LEU 117 HB2 LEU 117 -22.241 -2.168 5.210 913 2HB LEU 117 HB1 LEU 117 -21.636 -1.568 6.732 914 HG LEU 117 HG LEU 117 -22.206 0.022 4.242 915 1HD1 LEU 117 3HD1 LEU 117 -24.170 -0.628 5.584 916 2HD1 LEU 117 2HD1 LEU 117 -23.424 0.128 6.988 917 3HD1 LEU 117 1HD1 LEU 117 -23.878 1.113 5.606 918 1HD2 LEU 117 3HD2 LEU 117 -21.032 0.939 6.855 919 2HD2 LEU 117 2HD2 LEU 117 -20.242 0.896 5.264 920 3HD2 LEU 117 1HD2 LEU 117 -21.612 1.977 5.538 921 H LYS 118 HN LYS 118 -20.669 -4.037 4.037 922 HA LYS 118 HA LYS 118 -19.904 -5.418 6.455 923 1HB LYS 118 HB2 LYS 118 -21.128 -7.313 5.934 924 2HB LYS 118 HB1 LYS 118 -22.134 -5.970 5.454 925 1HG LYS 118 HG2 LYS 118 -20.422 -7.419 3.534 926 2HG LYS 118 HG1 LYS 118 -22.000 -8.060 4.014 927 1HD LYS 118 HD2 LYS 118 -22.931 -5.814 3.244 928 2HD LYS 118 HD1 LYS 118 -21.333 -5.506 2.556 929 1HE LYS 118 HE2 LYS 118 -23.138 -7.826 1.860 930 2HE LYS 118 HE1 LYS 118 -22.912 -6.396 0.870 931 1HZ LYS 118 HZ3 LYS 118 -20.565 -7.032 0.600 932 2HZ LYS 118 HZ2 LYS 118 -20.833 -8.448 1.505 933 3HZ LYS 118 HZ1 LYS 118 -21.612 -8.210 0.068 934 H GLY 119 HN GLY 119 -18.478 -4.879 3.375 935 1HA GLY 119 HA1 GLY 119 -16.570 -6.901 4.262 936 2HA GLY 119 HA2 GLY 119 -16.068 -5.261 3.896 937 H ILE 120 HN ILE 120 -18.122 -7.651 2.217 938 HA ILE 120 HA ILE 120 -18.267 -8.153 -0.067 939 HB ILE 120 HB ILE 120 -16.075 -6.031 -0.333 940 1HG1 ILE 120 2HG1 ILE 120 -18.949 -5.747 -1.093 941 2HG1 ILE 120 1HG1 ILE 120 -18.330 -5.339 0.506 942 1HG2 ILE 120 2HG2 ILE 120 -16.022 -7.533 -2.296 943 2HG2 ILE 120 1HG2 ILE 120 -17.730 -7.163 -2.582 944 3HG2 ILE 120 3HG2 ILE 120 -16.520 -5.891 -2.704 945 1HD1 ILE 120 2HD1 ILE 120 -17.376 -4.217 -2.074 946 2HD1 ILE 120 1HD1 ILE 120 -18.499 -3.430 -0.921 947 3HD1 ILE 120 3HD1 ILE 120 -16.840 -3.800 -0.420 948 HA PRO 121 HA PRO 121 -15.022 -11.236 -0.022 949 1HB PRO 121 HB2 PRO 121 -15.319 -12.316 -2.516 950 2HB PRO 121 HB1 PRO 121 -16.417 -12.659 -1.177 951 1HG PRO 121 HG2 PRO 121 -16.780 -10.873 -3.520 952 2HG PRO 121 HG1 PRO 121 -18.003 -11.788 -2.615 953 1HD PRO 121 HD2 PRO 121 -17.441 -9.094 -2.449 954 2HD PRO 121 HD1 PRO 121 -18.405 -9.925 -1.257 955 H PHE 122 HN PHE 122 -14.537 -8.582 -0.942 956 HA PHE 122 HA PHE 122 -13.014 -7.217 -1.635 957 1HB PHE 122 HB2 PHE 122 -11.501 -9.077 -0.601 958 2HB PHE 122 HB1 PHE 122 -11.081 -9.434 -2.275 959 HD1 PHE 122 HD1 PHE 122 -11.556 -6.361 -0.221 960 HD2 PHE 122 HD2 PHE 122 -9.075 -8.482 -2.940 961 HE1 PHE 122 HE1 PHE 122 -9.962 -4.503 -0.200 962 HE2 PHE 122 HE2 PHE 122 -7.474 -6.606 -2.916 963 HZ PHE 122 HZ PHE 122 -7.931 -4.625 -1.549 964 H ARG 123 HN ARG 123 -11.139 -7.380 -3.660 965 HA ARG 123 HA ARG 123 -12.694 -7.714 -6.088 966 1HB ARG 123 HB2 ARG 123 -11.459 -5.174 -5.026 967 2HB ARG 123 HB1 ARG 123 -11.988 -5.348 -6.674 968 1HG ARG 123 HG2 ARG 123 -13.825 -5.587 -4.294 969 2HG ARG 123 HG1 ARG 123 -13.494 -4.071 -5.121 970 1HD ARG 123 HD2 ARG 123 -15.569 -4.951 -5.947 971 2HD ARG 123 HD1 ARG 123 -14.358 -5.091 -7.214 972 HE ARG 123 HE ARG 123 -14.557 -7.475 -5.678 973 1HH1 ARG 123 1HH1 ARG 123 -16.167 -5.668 -8.274 974 2HH1 ARG 123 2HH1 ARG 123 -16.921 -7.037 -8.944 975 1HH2 ARG 123 1HH2 ARG 123 -15.582 -9.340 -6.624 976 2HH2 ARG 123 2HH2 ARG 123 -16.602 -9.165 -7.981 977 H THR 124 HN THR 124 -11.240 -8.103 -7.786 978 HA THR 124 HA THR 124 -8.537 -8.753 -7.151 979 HB THR 124 HB THR 124 -9.847 -8.459 -9.889 980 HG1 THR 124 HG1 THR 124 -11.161 -9.750 -8.839 981 1HG2 THR 124 2HG2 THR 124 -7.552 -10.181 -8.908 982 2HG2 THR 124 1HG2 THR 124 -8.305 -10.301 -10.514 983 3HG2 THR 124 3HG2 THR 124 -7.500 -8.813 -10.037 984 H LYS 125 HN LYS 125 -6.821 -7.634 -8.999 985 HA LYS 125 HA LYS 125 -6.256 -5.189 -7.916 986 1HB LYS 125 HB2 LYS 125 -4.681 -4.858 -9.793 987 2HB LYS 125 HB1 LYS 125 -4.564 -6.436 -9.065 988 1HG LYS 125 HG2 LYS 125 -5.251 -7.539 -10.935 989 2HG LYS 125 HG1 LYS 125 -6.354 -6.255 -11.412 990 1HD LYS 125 HD2 LYS 125 -3.350 -6.106 -11.658 991 2HD LYS 125 HD1 LYS 125 -4.444 -6.554 -12.969 992 1HE LYS 125 HE2 LYS 125 -5.581 -4.356 -12.705 993 2HE LYS 125 HE1 LYS 125 -4.390 -3.905 -11.494 994 1HZ LYS 125 HZ1 LYS 125 -2.668 -4.152 -13.187 995 2HZ LYS 125 HZ3 LYS 125 -3.851 -4.502 -14.347 996 3HZ LYS 125 HZ2 LYS 125 -3.815 -2.990 -13.586 997 H ALA 126 HN ALA 126 -7.993 -5.785 -10.965 998 HA ALA 126 HA ALA 126 -8.061 -2.976 -11.474 999 1HB ALA 126 HB1 ALA 126 -9.298 -5.244 -12.961 1000 2HB ALA 126 HB2 ALA 126 -7.642 -4.731 -13.146 1001 3HB ALA 126 HB3 ALA 126 -8.957 -3.621 -13.600 1002 H GLU 127 HN GLU 127 -9.954 -5.384 -9.984 1003 HA GLU 127 HA GLU 127 -12.484 -4.052 -10.435 1004 1HB GLU 127 HB2 GLU 127 -11.907 -6.169 -8.381 1005 2HB GLU 127 HB1 GLU 127 -13.456 -5.784 -9.132 1006 1HG GLU 127 HG2 GLU 127 -12.372 -6.570 -11.298 1007 2HG GLU 127 HG1 GLU 127 -11.069 -7.094 -10.294 1008 H PHE 128 HN PHE 128 -9.989 -4.206 -8.051 1009 HA PHE 128 HA PHE 128 -11.292 -2.904 -5.922 1010 1HB PHE 128 HB2 PHE 128 -9.303 -4.158 -5.508 1011 2HB PHE 128 HB1 PHE 128 -8.399 -3.258 -6.708 1012 HD1 PHE 128 HD1 PHE 128 -7.559 -1.081 -6.270 1013 HD2 PHE 128 HD2 PHE 128 -9.764 -3.181 -3.321 1014 HE1 PHE 128 HE1 PHE 128 -6.798 0.539 -4.567 1015 HE2 PHE 128 HE2 PHE 128 -9.027 -1.574 -1.607 1016 HZ PHE 128 HZ PHE 128 -7.548 0.294 -2.231 1017 H GLU 129 HN GLU 129 -9.068 -1.687 -8.411 1018 HA GLU 129 HA GLU 129 -9.457 0.968 -7.603 1019 1HB GLU 129 HB2 GLU 129 -8.397 1.509 -9.846 1020 2HB GLU 129 HB1 GLU 129 -7.444 0.542 -8.732 1021 1HG GLU 129 HG2 GLU 129 -8.021 -1.447 -9.931 1022 2HG GLU 129 HG1 GLU 129 -9.058 -0.535 -11.015 1023 H ASP 130 HN ASP 130 -11.305 -1.121 -9.519 1024 HA ASP 130 HA ASP 130 -12.889 0.737 -10.991 1025 1HB ASP 130 HB2 ASP 130 -12.740 -1.659 -11.518 1026 2HB ASP 130 HB1 ASP 130 -13.477 -2.032 -9.984 1027 H VAL 131 HN VAL 131 -13.399 -0.998 -7.938 1028 HA VAL 131 HA VAL 131 -15.790 0.449 -7.403 1029 HB VAL 131 HB VAL 131 -15.502 -1.769 -6.379 1030 1HG1 VAL 131 2HG1 VAL 131 -13.133 -1.771 -6.093 1031 2HG1 VAL 131 1HG1 VAL 131 -13.261 -0.577 -4.811 1032 3HG1 VAL 131 3HG1 VAL 131 -13.954 -2.182 -4.573 1033 1HG2 VAL 131 2HG2 VAL 131 -16.961 -0.237 -5.195 1034 2HG2 VAL 131 1HG2 VAL 131 -16.097 -1.303 -4.075 1035 3HG2 VAL 131 3HG2 VAL 131 -15.570 0.368 -4.276 1036 H ILE 132 HN ILE 132 -12.442 0.910 -6.487 1037 HA ILE 132 HA ILE 132 -12.866 3.027 -4.717 1038 HB ILE 132 HB ILE 132 -10.545 1.816 -6.047 1039 1HG1 ILE 132 2HG1 ILE 132 -9.536 2.020 -3.812 1040 2HG1 ILE 132 1HG1 ILE 132 -10.892 3.001 -3.284 1041 1HG2 ILE 132 1HG2 ILE 132 -10.146 4.046 -6.831 1042 2HG2 ILE 132 3HG2 ILE 132 -10.294 4.691 -5.195 1043 3HG2 ILE 132 2HG2 ILE 132 -8.949 3.616 -5.601 1044 1HD1 ILE 132 2HD1 ILE 132 -12.384 1.086 -3.614 1045 2HD1 ILE 132 1HD1 ILE 132 -11.011 0.111 -4.131 1046 3HD1 ILE 132 3HD1 ILE 132 -11.090 0.717 -2.476 1047 H GLU 133 HN GLU 133 -12.545 3.057 -8.237 1048 HA GLU 133 HA GLU 133 -12.365 5.865 -8.375 1049 1HB GLU 133 HB2 GLU 133 -12.858 5.685 -10.748 1050 2HB GLU 133 HB1 GLU 133 -11.691 4.482 -10.259 1051 1HG GLU 133 HG2 GLU 133 -13.381 2.788 -10.275 1052 2HG GLU 133 HG1 GLU 133 -14.603 4.005 -10.659 1053 H HIS 134 HN HIS 134 -15.010 3.682 -8.080 1054 HA HIS 134 HA HIS 134 -17.053 5.548 -8.764 1055 1HB HIS 134 HB2 HIS 134 -17.094 2.911 -8.622 1056 2HB HIS 134 HB1 HIS 134 -17.502 3.209 -6.942 1057 HD1 HIS 134 HD1 HIS 134 -18.905 3.362 -10.368 1058 HD2 HIS 134 HD2 HIS 134 -20.014 4.347 -6.498 1059 HE1 HIS 134 HE1 HIS 134 -21.388 3.799 -10.448 1060 H MET 135 HN MET 135 -15.526 4.460 -5.829 1061 HA MET 135 HA MET 135 -16.946 5.931 -3.884 1062 1HB MET 135 HB2 MET 135 -13.991 5.309 -3.875 1063 2HB MET 135 HB1 MET 135 -14.959 5.744 -2.489 1064 1HG MET 135 HG2 MET 135 -15.250 3.213 -4.095 1065 2HG MET 135 HG1 MET 135 -14.380 3.355 -2.580 1066 1HE MET 135 HE3 MET 135 -17.728 2.668 -4.303 1067 2HE MET 135 HE2 MET 135 -18.942 3.121 -3.114 1068 3HE MET 135 HE1 MET 135 -18.054 4.372 -3.984 1069 H LYS 136 HN LYS 136 -14.011 6.812 -5.676 1070 HA LYS 136 HA LYS 136 -13.921 9.365 -4.473 1071 1HB LYS 136 HB2 LYS 136 -12.163 9.969 -6.073 1072 2HB LYS 136 HB1 LYS 136 -11.858 8.454 -5.236 1073 1HG LYS 136 HG2 LYS 136 -12.503 7.215 -7.117 1074 2HG LYS 136 HG1 LYS 136 -12.988 8.662 -8.007 1075 1HD LYS 136 HD2 LYS 136 -10.780 7.850 -8.723 1076 2HD LYS 136 HD1 LYS 136 -10.683 9.450 -7.992 1077 1HE LYS 136 HE2 LYS 136 -9.896 8.511 -5.926 1078 2HE LYS 136 HE1 LYS 136 -10.117 6.873 -6.528 1079 1HZ LYS 136 HZ3 LYS 136 -8.205 8.901 -7.581 1080 2HZ LYS 136 HZ2 LYS 136 -7.801 7.578 -6.651 1081 3HZ LYS 136 HZ1 LYS 136 -8.389 7.351 -8.198 1082 H THR 137 HN THR 137 -15.763 8.186 -7.134 1083 HA THR 137 HA THR 137 -16.058 10.636 -8.462 1084 HB THR 137 HB THR 137 -16.908 8.120 -9.066 1085 HG1 THR 137 HG1 THR 137 -17.982 9.060 -10.775 1086 1HG2 THR 137 3HG2 THR 137 -19.425 9.533 -8.138 1087 2HG2 THR 137 2HG2 THR 137 -19.381 8.027 -9.061 1088 3HG2 THR 137 1HG2 THR 137 -18.726 8.079 -7.423 1089 H TYR 138 HN TYR 138 -17.329 9.368 -5.493 1090 HA TYR 138 HA TYR 138 -19.281 11.443 -5.243 1091 1HB TYR 138 HB2 TYR 138 -18.306 9.301 -3.335 1092 2HB TYR 138 HB1 TYR 138 -19.561 10.468 -2.924 1093 HD1 TYR 138 HD1 TYR 138 -18.995 7.199 -4.313 1094 HD2 TYR 138 HD2 TYR 138 -21.482 10.650 -4.606 1095 HE1 TYR 138 HE1 TYR 138 -20.634 5.911 -5.493 1096 HE2 TYR 138 HE2 TYR 138 -23.186 9.307 -5.784 1097 HH TYR 138 HH TYR 138 -23.247 7.281 -7.128 1098 H SER 139 HN SER 139 -16.264 10.513 -3.638 1099 HA SER 139 HA SER 139 -14.702 11.596 -2.473 1100 1HB SER 139 HB2 SER 139 -13.875 13.701 -3.429 1101 2HB SER 139 HB1 SER 139 -14.148 12.472 -4.656 1102 HG SER 139 HG SER 139 -16.390 13.714 -4.566 1103 H GLY 140 HN GLY 140 -17.642 12.198 -1.764 1104 1HA GLY 140 HA1 GLY 140 -17.063 14.043 0.368 1105 2HA GLY 140 HA2 GLY 140 -18.595 13.212 0.071 No H/Q in entry = 1105 Start of MODEL 12 1 H1 ALA 1 HT2 ALA 1 30.047 12.934 -2.183 2 H2 ALA 1 HT1 ALA 1 31.040 13.657 -3.345 3 H3 ALA 1 HT3 ALA 1 29.359 13.704 -3.530 4 HA ALA 1 HA ALA 1 29.325 11.322 -3.756 5 1HB ALA 1 HB1 ALA 1 31.294 12.644 -5.622 6 2HB ALA 1 HB2 ALA 1 29.541 12.724 -5.770 7 3HB ALA 1 HB3 ALA 1 30.372 11.179 -5.951 8 H GLU 2 HN GLU 2 30.138 9.937 -2.383 9 HA GLU 2 HA GLU 2 32.995 9.713 -2.057 10 1HB GLU 2 HB2 GLU 2 32.350 7.924 -0.350 11 2HB GLU 2 HB1 GLU 2 31.924 9.584 0.028 12 1HG GLU 2 HG2 GLU 2 29.977 7.598 -1.129 13 2HG GLU 2 HG1 GLU 2 30.203 7.846 0.603 14 H VAL 3 HN VAL 3 33.925 7.515 -2.068 15 HA VAL 3 HA VAL 3 33.014 6.298 -4.549 16 HB VAL 3 HB VAL 3 35.256 5.347 -4.778 17 1HG1 VAL 3 2HG1 VAL 3 35.285 8.307 -4.254 18 2HG1 VAL 3 1HG1 VAL 3 36.505 7.413 -5.166 19 3HG1 VAL 3 3HG1 VAL 3 34.847 7.502 -5.762 20 1HG2 VAL 3 3HG2 VAL 3 35.846 5.081 -2.417 21 2HG2 VAL 3 2HG2 VAL 3 37.080 6.003 -3.277 22 3HG2 VAL 3 1HG2 VAL 3 35.927 6.834 -2.239 23 H GLU 4 HN GLU 4 33.876 3.953 -4.623 24 HA GLU 4 HA GLU 4 32.356 2.491 -2.734 25 1HB GLU 4 HB2 GLU 4 33.167 0.528 -4.043 26 2HB GLU 4 HB1 GLU 4 32.255 1.742 -4.925 27 1HG GLU 4 HG2 GLU 4 35.220 1.779 -4.932 28 2HG GLU 4 HG1 GLU 4 34.258 0.668 -5.925 29 H HIS 5 HN HIS 5 33.120 1.179 -1.116 30 HA HIS 5 HA HIS 5 35.897 1.782 -0.412 31 1HB HIS 5 HB2 HIS 5 33.852 0.556 1.454 32 2HB HIS 5 HB1 HIS 5 35.416 1.170 1.842 33 HD1 HIS 5 HD1 HIS 5 35.709 3.677 2.266 34 HD2 HIS 5 HD2 HIS 5 31.878 2.634 1.051 35 HE1 HIS 5 HE1 HIS 5 34.270 5.702 2.692 36 H TYR 6 HN TYR 6 36.854 0.003 0.968 37 HA TYR 6 HA TYR 6 37.147 -2.301 -0.701 38 1HB TYR 6 HB2 TYR 6 38.375 -1.638 1.981 39 2HB TYR 6 HB1 TYR 6 38.929 -2.870 0.851 40 HD1 TYR 6 HD1 TYR 6 38.540 0.752 1.341 41 HD2 TYR 6 HD2 TYR 6 40.331 -2.320 -0.949 42 HE1 TYR 6 HE1 TYR 6 40.004 2.434 0.246 43 HE2 TYR 6 HE2 TYR 6 41.781 -0.686 -2.053 44 HH TYR 6 HH TYR 6 42.149 2.475 -0.927 45 H GLU 7 HN GLU 7 36.331 -1.692 2.679 46 HA GLU 7 HA GLU 7 35.096 -4.284 2.902 47 1HB GLU 7 HB2 GLU 7 35.341 -2.009 4.890 48 2HB GLU 7 HB1 GLU 7 34.743 -3.622 5.258 49 1HG GLU 7 HG2 GLU 7 37.539 -2.885 4.412 50 2HG GLU 7 HG1 GLU 7 37.021 -3.418 6.012 51 HA PRO 8 HA PRO 8 31.308 -2.667 1.659 52 1HB PRO 8 HB2 PRO 8 29.532 -4.347 2.542 53 2HB PRO 8 HB1 PRO 8 30.794 -4.876 1.439 54 1HG PRO 8 HG2 PRO 8 30.703 -5.219 4.421 55 2HG PRO 8 HG1 PRO 8 31.155 -6.407 3.180 56 1HD PRO 8 HD2 PRO 8 32.966 -4.910 4.607 57 2HD PRO 8 HD1 PRO 8 33.281 -5.564 2.986 58 H LEU 9 HN LEU 9 28.986 -2.365 2.439 59 HA LEU 9 HA LEU 9 29.054 -0.641 4.856 60 1HB LEU 9 HB2 LEU 9 28.880 0.250 2.195 61 2HB LEU 9 HB1 LEU 9 27.254 -0.029 2.621 62 HG LEU 9 HG LEU 9 27.850 2.334 2.922 63 1HD1 LEU 9 2HD1 LEU 9 26.989 0.917 5.429 64 2HD1 LEU 9 1HD1 LEU 9 26.797 2.642 5.110 65 3HD1 LEU 9 3HD1 LEU 9 25.951 1.461 4.113 66 1HD2 LEU 9 1HD2 LEU 9 30.143 2.057 3.709 67 2HD2 LEU 9 3HD2 LEU 9 29.194 3.028 4.832 68 3HD2 LEU 9 2HD2 LEU 9 29.551 1.347 5.215 69 H GLN 10 HN GLN 10 27.543 -1.358 6.274 70 HA GLN 10 HA GLN 10 25.517 -3.219 5.496 71 1HB GLN 10 HB2 GLN 10 26.205 -1.888 8.093 72 2HB GLN 10 HB1 GLN 10 24.816 -2.948 7.921 73 1HG GLN 10 HG2 GLN 10 26.284 -4.742 7.287 74 2HG GLN 10 HG1 GLN 10 27.692 -3.684 7.452 75 1HE2 GLN 10 1HE2 GLN 10 27.023 -6.166 8.846 76 2HE2 GLN 10 2HE2 GLN 10 26.972 -5.779 10.517 77 H VAL 11 HN VAL 11 23.852 -2.528 4.461 78 HA VAL 11 HA VAL 11 22.598 0.042 5.191 79 HB VAL 11 HB VAL 11 21.978 -1.507 2.726 80 1HG1 VAL 11 1HG1 VAL 11 20.470 0.261 3.265 81 2HG1 VAL 11 3HG1 VAL 11 21.784 1.423 3.329 82 3HG1 VAL 11 2HG1 VAL 11 21.350 0.658 1.810 83 1HG2 VAL 11 3HG2 VAL 11 24.298 0.402 2.986 84 2HG2 VAL 11 2HG2 VAL 11 24.313 -1.323 2.558 85 3HG2 VAL 11 1HG2 VAL 11 23.609 -0.166 1.451 86 H HIS 12 HN HIS 12 20.810 -0.297 6.358 87 HA HIS 12 HA HIS 12 19.342 -2.780 5.964 88 1HB HIS 12 HB2 HIS 12 19.881 -2.032 8.280 89 2HB HIS 12 HB1 HIS 12 18.952 -0.563 7.996 90 HD1 HIS 12 HD1 HIS 12 16.342 -0.851 7.875 91 HD2 HIS 12 HD2 HIS 12 18.455 -4.271 8.885 92 HE1 HIS 12 HE1 HIS 12 14.650 -2.479 8.751 93 H VAL 13 HN VAL 13 18.218 -2.527 4.174 94 HA VAL 13 HA VAL 13 16.971 0.006 3.403 95 HB VAL 13 HB VAL 13 16.651 -2.583 1.980 96 1HG1 VAL 13 1HG1 VAL 13 16.891 0.254 1.029 97 2HG1 VAL 13 3HG1 VAL 13 16.670 -1.153 -0.015 98 3HG1 VAL 13 2HG1 VAL 13 15.418 -0.718 1.144 99 1HG2 VAL 13 1HG2 VAL 13 19.141 -0.906 1.891 100 2HG2 VAL 13 3HG2 VAL 13 19.008 -2.587 2.407 101 3HG2 VAL 13 2HG2 VAL 13 18.738 -2.164 0.716 102 H GLN 14 HN GLN 14 14.976 0.380 3.641 103 HA GLN 14 HA GLN 14 13.314 -1.852 4.630 104 1HB GLN 14 HB2 GLN 14 13.250 0.356 5.892 105 2HB GLN 14 HB1 GLN 14 12.434 1.046 4.492 106 1HG GLN 14 HG2 GLN 14 10.634 -0.601 4.731 107 2HG GLN 14 HG1 GLN 14 11.437 -1.270 6.144 108 1HE2 GLN 14 1HE2 GLN 14 9.488 1.264 4.898 109 2HE2 GLN 14 2HE2 GLN 14 9.137 2.023 6.397 110 H LEU 15 HN LEU 15 12.227 -2.947 3.226 111 HA LEU 15 HA LEU 15 11.749 -1.838 0.586 112 1HB LEU 15 HB2 LEU 15 12.016 -4.465 1.834 113 2HB LEU 15 HB1 LEU 15 10.893 -4.359 0.465 114 HG LEU 15 HG LEU 15 12.707 -3.708 -0.952 115 1HD1 LEU 15 2HD1 LEU 15 14.471 -3.776 1.463 116 2HD1 LEU 15 1HD1 LEU 15 15.000 -3.689 -0.234 117 3HD1 LEU 15 3HD1 LEU 15 14.031 -2.388 0.446 118 1HD2 LEU 15 1HD2 LEU 15 13.421 -6.110 0.706 119 2HD2 LEU 15 3HD2 LEU 15 12.342 -6.061 -0.688 120 3HD2 LEU 15 2HD2 LEU 15 14.069 -5.752 -0.886 121 H GLU 16 HN GLU 16 9.858 -0.846 0.327 122 HA GLU 16 HA GLU 16 7.484 -1.889 1.715 123 1HB GLU 16 HB2 GLU 16 7.838 0.603 0.052 124 2HB GLU 16 HB1 GLU 16 6.337 0.103 0.795 125 1HG GLU 16 HG2 GLU 16 7.356 0.387 2.993 126 2HG GLU 16 HG1 GLU 16 8.846 0.950 2.234 127 H LYS 17 HN LYS 17 5.953 -2.917 0.634 128 HA LYS 17 HA LYS 17 6.122 -3.028 -2.303 129 1HB LYS 17 HB2 LYS 17 5.520 -5.064 -0.236 130 2HB LYS 17 HB1 LYS 17 4.579 -5.131 -1.713 131 1HG LYS 17 HG2 LYS 17 6.423 -6.651 -1.797 132 2HG LYS 17 HG1 LYS 17 6.626 -5.369 -2.994 133 1HD LYS 17 HD2 LYS 17 8.234 -4.280 -1.516 134 2HD LYS 17 HD1 LYS 17 8.021 -5.566 -0.325 135 1HE LYS 17 HE2 LYS 17 8.968 -5.940 -3.154 136 2HE LYS 17 HE1 LYS 17 10.020 -5.912 -1.753 137 1HZ LYS 17 HZ3 LYS 17 8.808 -7.911 -0.925 138 2HZ LYS 17 HZ2 LYS 17 7.893 -7.908 -2.338 139 3HZ LYS 17 HZ1 LYS 17 9.543 -8.159 -2.424 140 H VAL 18 HN VAL 18 4.658 -1.469 -2.865 141 HA VAL 18 HA VAL 18 2.288 -1.251 -1.216 142 HB VAL 18 HB VAL 18 2.786 0.393 -3.689 143 1HG1 VAL 18 2HG1 VAL 18 1.222 0.955 -1.211 144 2HG1 VAL 18 1HG1 VAL 18 1.449 2.063 -2.565 145 3HG1 VAL 18 3HG1 VAL 18 0.592 0.542 -2.806 146 1HG2 VAL 18 3HG2 VAL 18 3.892 0.982 -0.935 147 2HG2 VAL 18 2HG2 VAL 18 4.811 0.657 -2.414 148 3HG2 VAL 18 1HG2 VAL 18 3.853 2.124 -2.289 149 H TYR 19 HN TYR 19 0.664 -2.417 -1.644 150 HA TYR 19 HA TYR 19 0.246 -3.416 -4.330 151 1HB TYR 19 HB2 TYR 19 -0.789 -4.207 -1.626 152 2HB TYR 19 HB1 TYR 19 -1.452 -4.845 -3.123 153 HD1 TYR 19 HD1 TYR 19 1.449 -4.830 -0.884 154 HD2 TYR 19 HD2 TYR 19 -0.234 -6.370 -4.445 155 HE1 TYR 19 HE1 TYR 19 3.181 -6.571 -0.923 156 HE2 TYR 19 HE2 TYR 19 1.498 -8.130 -4.520 157 HH TYR 19 HH TYR 19 3.713 -8.438 -3.695 158 H LEU 20 HN LEU 20 -2.171 -3.585 -4.856 159 HA LEU 20 HA LEU 20 -3.129 -0.933 -5.129 160 1HB LEU 20 HB2 LEU 20 -4.650 -3.511 -5.517 161 2HB LEU 20 HB1 LEU 20 -5.158 -1.932 -6.057 162 HG LEU 20 HG LEU 20 -2.755 -3.433 -7.074 163 1HD1 LEU 20 3HD1 LEU 20 -4.851 -4.445 -7.712 164 2HD1 LEU 20 2HD1 LEU 20 -5.445 -2.893 -8.305 165 3HD1 LEU 20 1HD1 LEU 20 -4.081 -3.684 -9.107 166 1HD2 LEU 20 1HD2 LEU 20 -3.994 -0.823 -7.945 167 2HD2 LEU 20 3HD2 LEU 20 -2.432 -1.023 -7.153 168 3HD2 LEU 20 2HD2 LEU 20 -2.688 -1.664 -8.781 169 H ASP 21 HN ASP 21 -3.954 -3.587 -3.102 170 HA ASP 21 HA ASP 21 -6.363 -2.849 -1.899 171 1HB ASP 21 HB2 ASP 21 -5.266 -5.006 -1.606 172 2HB ASP 21 HB1 ASP 21 -4.010 -4.249 -0.650 173 H GLY 22 HN GLY 22 -3.109 -2.022 -0.988 174 1HA GLY 22 HA1 GLY 22 -4.194 -0.299 1.137 175 2HA GLY 22 HA2 GLY 22 -2.851 0.240 0.136 176 H ASP 23 HN ASP 23 -3.250 -3.012 0.998 177 HA ASP 23 HA ASP 23 -1.602 -3.225 3.249 178 1HB ASP 23 HB2 ASP 23 -3.045 -5.055 2.494 179 2HB ASP 23 HB1 ASP 23 -2.140 -5.183 0.996 180 H VAL 24 HN VAL 24 0.501 -2.835 3.428 181 HA VAL 24 HA VAL 24 2.153 -3.018 1.011 182 HB VAL 24 HB VAL 24 2.742 -1.226 3.391 183 1HG1 VAL 24 2HG1 VAL 24 4.698 -1.887 2.217 184 2HG1 VAL 24 1HG1 VAL 24 4.004 -1.334 0.694 185 3HG1 VAL 24 3HG1 VAL 24 4.372 -0.172 1.968 186 1HG2 VAL 24 1HG2 VAL 24 0.723 -0.413 2.260 187 2HG2 VAL 24 3HG2 VAL 24 2.084 0.680 2.008 188 3HG2 VAL 24 2HG2 VAL 24 1.586 -0.418 0.722 189 H SER 25 HN SER 25 3.497 -4.613 1.140 190 HA SER 25 HA SER 25 3.997 -5.867 3.686 191 1HB SER 25 HB2 SER 25 3.654 -7.263 1.630 192 2HB SER 25 HB1 SER 25 5.115 -6.580 0.939 193 HG SER 25 HG SER 25 5.155 -7.877 3.442 194 H ILE 26 HN ILE 26 5.650 -5.458 4.939 195 HA ILE 26 HA ILE 26 7.671 -3.602 3.929 196 HB ILE 26 HB ILE 26 6.763 -4.131 6.766 197 1HG1 ILE 26 2HG1 ILE 26 5.081 -2.882 5.535 198 2HG1 ILE 26 1HG1 ILE 26 5.870 -1.820 6.697 199 1HG2 ILE 26 3HG2 ILE 26 9.129 -3.531 6.686 200 2HG2 ILE 26 2HG2 ILE 26 8.733 -2.098 5.728 201 3HG2 ILE 26 1HG2 ILE 26 8.171 -2.224 7.398 202 1HD1 ILE 26 1HD1 ILE 26 7.226 -0.891 4.881 203 2HD1 ILE 26 3HD1 ILE 26 6.378 -1.944 3.743 204 3HD1 ILE 26 2HD1 ILE 26 5.490 -0.693 4.607 205 H GLU 27 HN GLU 27 9.563 -4.422 3.592 206 HA GLU 27 HA GLU 27 10.358 -6.809 5.076 207 1HB GLU 27 HB2 GLU 27 10.132 -7.321 2.804 208 2HB GLU 27 HB1 GLU 27 10.931 -5.875 2.262 209 1HG GLU 27 HG2 GLU 27 12.476 -7.583 1.936 210 2HG GLU 27 HG1 GLU 27 12.987 -6.787 3.398 211 H HIS 28 HN HIS 28 12.465 -6.875 5.814 212 HA HIS 28 HA HIS 28 13.852 -4.303 5.967 213 1HB HIS 28 HB2 HIS 28 13.682 -6.514 8.020 214 2HB HIS 28 HB1 HIS 28 14.800 -5.164 8.141 215 HD1 HIS 28 HD1 HIS 28 12.310 -5.843 10.163 216 HD2 HIS 28 HD2 HIS 28 12.520 -2.889 7.261 217 HE1 HIS 28 HE1 HIS 28 10.748 -4.031 10.915 218 H LYS 29 HN LYS 29 15.464 -4.430 4.708 219 HA LYS 29 HA LYS 29 16.648 -7.052 4.121 220 1HB LYS 29 HB2 LYS 29 15.289 -5.168 2.576 221 2HB LYS 29 HB1 LYS 29 16.960 -5.125 2.051 222 1HG LYS 29 HG2 LYS 29 15.320 -7.635 2.261 223 2HG LYS 29 HG1 LYS 29 15.402 -6.654 0.800 224 1HD LYS 29 HD2 LYS 29 17.715 -8.058 2.142 225 2HD LYS 29 HD1 LYS 29 16.897 -8.482 0.621 226 1HE LYS 29 HE2 LYS 29 17.582 -6.299 -0.323 227 2HE LYS 29 HE1 LYS 29 18.473 -5.964 1.153 228 1HZ LYS 29 HZ1 LYS 29 19.867 -7.907 0.676 229 2HZ LYS 29 HZ3 LYS 29 19.040 -8.114 -0.794 230 3HZ LYS 29 HZ2 LYS 29 19.920 -6.706 -0.505 231 H HIS 30 HN HIS 30 18.564 -6.963 5.207 232 HA HIS 30 HA HIS 30 20.054 -4.466 4.931 233 1HB HIS 30 HB2 HIS 30 21.402 -5.127 6.915 234 2HB HIS 30 HB1 HIS 30 19.698 -4.932 7.278 235 HD1 HIS 30 HD1 HIS 30 22.440 -7.167 7.943 236 HD2 HIS 30 HD2 HIS 30 18.356 -7.605 7.319 237 HE1 HIS 30 HE1 HIS 30 21.834 -9.390 8.888 238 H GLU 31 HN GLU 31 21.734 -4.370 3.709 239 HA GLU 31 HA GLU 31 23.162 -6.850 3.160 240 1HB GLU 31 HB2 GLU 31 23.389 -6.205 0.794 241 2HB GLU 31 HB1 GLU 31 21.718 -6.525 1.282 242 1HG GLU 31 HG2 GLU 31 21.301 -4.147 1.324 243 2HG GLU 31 HG1 GLU 31 22.970 -3.854 0.810 244 H LYS 32 HN LYS 32 25.288 -6.646 2.702 245 HA LYS 32 HA LYS 32 26.426 -4.081 3.401 246 1HB LYS 32 HB2 LYS 32 27.554 -6.848 3.299 247 2HB LYS 32 HB1 LYS 32 28.532 -5.433 3.597 248 1HG LYS 32 HG2 LYS 32 27.305 -4.949 5.572 249 2HG LYS 32 HG1 LYS 32 26.270 -6.354 5.378 250 1HD LYS 32 HD2 LYS 32 29.243 -6.232 5.894 251 2HD LYS 32 HD1 LYS 32 28.006 -6.966 6.912 252 1HE LYS 32 HE2 LYS 32 27.581 -8.585 5.023 253 2HE LYS 32 HE1 LYS 32 28.987 -7.843 4.246 254 1HZ LYS 32 HZ2 LYS 32 30.370 -8.579 6.093 255 2HZ LYS 32 HZ1 LYS 32 29.035 -9.239 6.869 256 3HZ LYS 32 HZ3 LYS 32 29.567 -9.905 5.419 257 H VAL 33 HN VAL 33 26.806 -2.916 1.771 258 HA VAL 33 HA VAL 33 27.667 -4.204 -0.713 259 HB VAL 33 HB VAL 33 25.563 -3.354 -1.293 260 1HG1 VAL 33 2HG1 VAL 33 26.206 -0.883 0.276 261 2HG1 VAL 33 1HG1 VAL 33 24.730 -1.163 -0.669 262 3HG1 VAL 33 3HG1 VAL 33 25.098 -2.201 0.707 263 1HG2 VAL 33 1HG2 VAL 33 27.270 -2.558 -2.858 264 2HG2 VAL 33 3HG2 VAL 33 25.915 -1.423 -2.734 265 3HG2 VAL 33 2HG2 VAL 33 27.412 -1.100 -1.867 266 H PHE 34 HN PHE 34 29.413 -3.428 -1.805 267 HA PHE 34 HA PHE 34 31.280 -1.917 -0.280 268 1HB PHE 34 HB2 PHE 34 31.446 -2.845 -3.143 269 2HB PHE 34 HB1 PHE 34 32.776 -2.238 -2.173 270 HD1 PHE 34 HD1 PHE 34 31.307 -5.107 -3.398 271 HD2 PHE 34 HD2 PHE 34 32.996 -3.554 0.169 272 HE1 PHE 34 HE1 PHE 34 31.784 -7.399 -2.643 273 HE2 PHE 34 HE2 PHE 34 33.501 -5.847 0.929 274 HZ PHE 34 HZ PHE 34 32.887 -7.770 -0.474 275 H SER 35 HN SER 35 29.131 -1.142 -3.017 276 HA SER 35 HA SER 35 30.204 1.570 -2.946 277 1HB SER 35 HB2 SER 35 30.876 0.379 -4.996 278 2HB SER 35 HB1 SER 35 29.192 -0.014 -5.295 279 HG SER 35 HG SER 35 30.052 1.852 -6.421 280 H MET 36 HN MET 36 28.638 2.836 -2.094 281 HA MET 36 HA MET 36 25.919 2.182 -1.947 282 1HB MET 36 HB2 MET 36 27.338 4.831 -1.842 283 2HB MET 36 HB1 MET 36 25.588 4.730 -1.737 284 1HG MET 36 HG2 MET 36 26.967 2.913 0.054 285 2HG MET 36 HG1 MET 36 27.327 4.629 0.340 286 1HE MET 36 HE1 MET 36 23.966 3.384 -1.146 287 2HE MET 36 HE3 MET 36 24.250 2.019 -0.056 288 3HE MET 36 HE2 MET 36 22.932 3.191 0.236 289 H ASP 37 HN ASP 37 27.785 3.566 -4.415 290 HA ASP 37 HA ASP 37 25.657 4.657 -6.005 291 1HB ASP 37 HB2 ASP 37 27.959 5.418 -6.377 292 2HB ASP 37 HB1 ASP 37 28.421 3.798 -6.896 293 H ASP 38 HN ASP 38 27.256 1.573 -5.823 294 HA ASP 38 HA ASP 38 25.990 0.458 -8.126 295 1HB ASP 38 HB2 ASP 38 28.102 -0.432 -7.121 296 2HB ASP 38 HB1 ASP 38 27.150 -0.983 -5.743 297 H PHE 39 HN PHE 39 25.326 0.649 -4.701 298 HA PHE 39 HA PHE 39 23.149 -1.091 -4.543 299 1HB PHE 39 HB2 PHE 39 24.324 -0.270 -2.585 300 2HB PHE 39 HB1 PHE 39 23.863 1.379 -2.970 301 HD1 PHE 39 HD1 PHE 39 22.666 -1.867 -1.812 302 HD2 PHE 39 HD2 PHE 39 21.774 2.218 -2.373 303 HE1 PHE 39 HE1 PHE 39 20.668 -2.117 -0.383 304 HE2 PHE 39 HE2 PHE 39 19.736 1.974 -0.893 305 HZ PHE 39 HZ PHE 39 19.221 -0.172 0.041 306 H TRP 40 HN TRP 40 23.351 2.403 -5.177 307 HA TRP 40 HA TRP 40 20.578 2.839 -5.405 308 1HB TRP 40 HB2 TRP 40 22.817 4.384 -6.735 309 2HB TRP 40 HB1 TRP 40 21.162 4.963 -6.535 310 HD1 TRP 40 HD1 TRP 40 24.266 5.836 -5.163 311 HE1 TRP 40 HE1 TRP 40 24.237 6.348 -2.630 312 HE3 TRP 40 HE3 TRP 40 19.720 3.833 -3.974 313 HZ2 TRP 40 HZ2 TRP 40 22.500 5.965 -0.467 314 HZ3 TRP 40 HZ3 TRP 40 18.956 3.965 -1.663 315 HH2 TRP 40 HH2 TRP 40 20.289 5.012 0.037 316 H ALA 41 HN ALA 41 22.960 1.866 -7.636 317 HA ALA 41 HA ALA 41 21.262 1.926 -9.955 318 1HB ALA 41 HB1 ALA 41 23.015 0.669 -11.093 319 2HB ALA 41 HB3 ALA 41 23.732 1.979 -10.152 320 3HB ALA 41 HB2 ALA 41 23.792 0.324 -9.549 321 H ALA 42 HN ALA 42 21.969 -0.409 -7.523 322 HA ALA 42 HA ALA 42 20.742 -2.638 -8.787 323 1HB ALA 42 HB2 ALA 42 22.371 -2.887 -6.971 324 2HB ALA 42 HB1 ALA 42 21.242 -2.127 -5.858 325 3HB ALA 42 HB3 ALA 42 20.842 -3.683 -6.581 326 H TYR 43 HN TYR 43 19.609 -0.154 -6.506 327 HA TYR 43 HA TYR 43 16.935 -1.303 -6.701 328 1HB TYR 43 HB2 TYR 43 18.201 0.574 -4.707 329 2HB TYR 43 HB1 TYR 43 16.484 0.202 -4.728 330 HD1 TYR 43 HD1 TYR 43 15.661 -1.725 -3.709 331 HD2 TYR 43 HD2 TYR 43 19.829 -1.377 -4.403 332 HE1 TYR 43 HE1 TYR 43 16.038 -3.791 -2.439 333 HE2 TYR 43 HE2 TYR 43 20.222 -3.438 -3.133 334 HH TYR 43 HH TYR 43 19.216 -4.829 -1.570 335 H ALA 44 HN ALA 44 18.500 0.551 -8.588 336 HA ALA 44 HA ALA 44 17.457 2.947 -8.881 337 1HB ALA 44 HB1 ALA 44 19.125 1.963 -10.345 338 2HB ALA 44 HB3 ALA 44 17.869 1.022 -11.147 339 3HB ALA 44 HB2 ALA 44 17.861 2.784 -11.258 340 H GLY 45 HN GLY 45 15.645 0.000 -9.419 341 1HA GLY 45 HA1 GLY 45 13.580 -0.332 -10.457 342 2HA GLY 45 HA2 GLY 45 13.523 1.378 -10.838 343 H TRP 46 HN TRP 46 14.250 0.644 -7.548 344 HA TRP 46 HA TRP 46 11.552 0.738 -6.594 345 1HB TRP 46 HB2 TRP 46 14.207 1.057 -5.185 346 2HB TRP 46 HB1 TRP 46 12.648 0.852 -4.414 347 HD1 TRP 46 HD1 TRP 46 14.911 -1.144 -6.824 348 HE1 TRP 46 HE1 TRP 46 14.723 -3.631 -6.179 349 HE3 TRP 46 HE3 TRP 46 11.551 -0.711 -3.049 350 HZ2 TRP 46 HZ2 TRP 46 13.338 -5.177 -4.289 351 HZ3 TRP 46 HZ3 TRP 46 10.842 -2.735 -1.877 352 HH2 TRP 46 HH2 TRP 46 11.725 -4.923 -2.508 353 H THR 47 HN THR 47 10.713 2.576 -5.394 354 HA THR 47 HA THR 47 11.820 5.103 -6.188 355 HB THR 47 HB THR 47 9.354 4.285 -4.658 356 HG1 THR 47 HG1 THR 47 9.751 5.131 -7.339 357 1HG2 THR 47 2HG2 THR 47 10.064 6.543 -4.075 358 2HG2 THR 47 1HG2 THR 47 10.107 6.988 -5.784 359 3HG2 THR 47 3HG2 THR 47 8.569 6.572 -5.016 360 H LEU 48 HN LEU 48 13.290 6.053 -4.910 361 HA LEU 48 HA LEU 48 13.810 5.153 -2.242 362 1HB LEU 48 HB2 LEU 48 15.549 5.950 -3.914 363 2HB LEU 48 HB1 LEU 48 14.918 7.559 -3.732 364 HG LEU 48 HG LEU 48 17.110 7.022 -2.553 365 1HD1 LEU 48 3HD1 LEU 48 15.873 9.011 -1.946 366 2HD1 LEU 48 2HD1 LEU 48 14.925 8.067 -0.780 367 3HD1 LEU 48 1HD1 LEU 48 16.678 8.244 -0.575 368 1HD2 LEU 48 1HD2 LEU 48 16.541 4.832 -1.697 369 2HD2 LEU 48 3HD2 LEU 48 16.987 5.940 -0.397 370 3HD2 LEU 48 2HD2 LEU 48 15.295 5.554 -0.668 371 H VAL 49 HN VAL 49 12.490 5.702 -0.665 372 HA VAL 49 HA VAL 49 10.927 8.131 -0.892 373 HB VAL 49 HB VAL 49 10.823 6.072 1.389 374 1HG1 VAL 49 2HG1 VAL 49 8.887 8.211 0.565 375 2HG1 VAL 49 1HG1 VAL 49 8.653 7.018 1.843 376 3HG1 VAL 49 3HG1 VAL 49 9.931 8.225 1.988 377 1HG2 VAL 49 1HG2 VAL 49 9.140 6.283 -1.095 378 2HG2 VAL 49 3HG2 VAL 49 10.333 5.032 -0.760 379 3HG2 VAL 49 2HG2 VAL 49 8.888 5.166 0.247 380 H GLU 50 HN GLU 50 13.304 6.670 1.292 381 HA GLU 50 HA GLU 50 14.598 9.136 1.546 382 1HB GLU 50 HB2 GLU 50 14.536 9.305 4.013 383 2HB GLU 50 HB1 GLU 50 12.958 9.674 3.282 384 1HG GLU 50 HG2 GLU 50 12.228 7.479 3.967 385 2HG GLU 50 HG1 GLU 50 13.825 7.134 4.649 386 H GLN 51 HN GLN 51 16.477 8.900 2.947 387 HA GLN 51 HA GLN 51 17.146 6.229 3.743 388 1HB GLN 51 HB2 GLN 51 19.248 6.248 2.500 389 2HB GLN 51 HB1 GLN 51 17.844 6.337 1.429 390 1HG GLN 51 HG2 GLN 51 18.129 8.629 1.079 391 2HG GLN 51 HG1 GLN 51 19.377 8.699 2.334 392 1HE2 GLN 51 1HE2 GLN 51 18.574 7.631 -0.806 393 2HE2 GLN 51 2HE2 GLN 51 20.191 7.391 -1.375 394 H LYS 52 HN LYS 52 19.117 6.261 4.864 395 HA LYS 52 HA LYS 52 20.332 8.726 5.601 396 1HB LYS 52 HB2 LYS 52 20.190 7.852 8.087 397 2HB LYS 52 HB1 LYS 52 18.863 8.786 7.403 398 1HG LYS 52 HG2 LYS 52 17.722 6.690 6.869 399 2HG LYS 52 HG1 LYS 52 18.976 5.778 7.721 400 1HD LYS 52 HD2 LYS 52 17.098 6.034 9.167 401 2HD LYS 52 HD1 LYS 52 18.345 7.121 9.771 402 1HE LYS 52 HE2 LYS 52 17.315 8.946 8.541 403 2HE LYS 52 HE1 LYS 52 16.074 7.828 7.974 404 1HZ LYS 52 HZ2 LYS 52 15.393 7.519 10.293 405 2HZ LYS 52 HZ1 LYS 52 16.555 8.638 10.798 406 3HZ LYS 52 HZ3 LYS 52 15.284 9.135 9.816 407 H LYS 53 HN LYS 53 22.439 8.074 6.893 408 HA LYS 53 HA LYS 53 23.505 6.033 5.233 409 1HB LYS 53 HB2 LYS 53 24.757 8.120 5.936 410 2HB LYS 53 HB1 LYS 53 24.951 7.372 7.514 411 1HG LYS 53 HG2 LYS 53 26.946 7.026 6.227 412 2HG LYS 53 HG1 LYS 53 26.125 5.478 6.434 413 1HD LYS 53 HD2 LYS 53 25.175 5.655 4.178 414 2HD LYS 53 HD1 LYS 53 25.935 7.230 3.971 415 1HE LYS 53 HE2 LYS 53 27.371 4.603 4.358 416 2HE LYS 53 HE1 LYS 53 27.160 5.441 2.824 417 1HZ LYS 53 HZ1 LYS 53 28.405 7.322 3.836 418 2HZ LYS 53 HZ3 LYS 53 28.764 6.337 5.161 419 3HZ LYS 53 HZ2 LYS 53 29.306 5.936 3.611 420 H GLY 54 HN GLY 54 22.759 4.109 5.676 421 1HA GLY 54 HA1 GLY 54 23.112 3.084 8.410 422 2HA GLY 54 HA2 GLY 54 23.702 2.178 7.020 423 H TYR 55 HN TYR 55 20.702 3.981 6.724 424 HA TYR 55 HA TYR 55 19.270 1.494 6.491 425 1HB TYR 55 HB2 TYR 55 18.700 2.072 8.693 426 2HB TYR 55 HB1 TYR 55 18.759 3.787 8.373 427 HD1 TYR 55 HD1 TYR 55 16.581 0.873 8.505 428 HD2 TYR 55 HD2 TYR 55 16.993 4.818 7.108 429 HE1 TYR 55 HE1 TYR 55 14.121 1.005 8.224 430 HE2 TYR 55 HE2 TYR 55 14.567 5.030 6.810 431 HH TYR 55 HH TYR 55 12.632 3.430 6.435 432 H VAL 56 HN VAL 56 17.935 1.590 4.727 433 HA VAL 56 HA VAL 56 17.395 4.257 3.706 434 HB VAL 56 HB VAL 56 18.253 3.891 2.325 435 1HG1 VAL 56 1HG1 VAL 56 20.124 2.640 2.749 436 2HG1 VAL 56 3HG1 VAL 56 19.874 2.558 1.036 437 3HG1 VAL 56 2HG1 VAL 56 19.878 4.121 1.799 438 1HG2 VAL 56 1HG2 VAL 56 16.400 2.387 0.938 439 2HG2 VAL 56 3HG2 VAL 56 17.045 4.028 0.771 440 3HG2 VAL 56 2HG2 VAL 56 17.917 2.680 0.054 441 H LEU 57 HN LEU 57 15.394 4.436 2.458 442 HA LEU 57 HA LEU 57 13.555 2.246 2.944 443 1HB LEU 57 HB2 LEU 57 12.886 3.887 4.476 444 2HB LEU 57 HB1 LEU 57 13.240 5.192 3.364 445 HG LEU 57 HG LEU 57 11.316 4.531 2.006 446 1HD1 LEU 57 1HD1 LEU 57 11.240 2.235 2.516 447 2HD1 LEU 57 3HD1 LEU 57 10.533 2.632 4.122 448 3HD1 LEU 57 2HD1 LEU 57 9.749 3.172 2.604 449 1HD2 LEU 57 2HD2 LEU 57 10.788 5.160 4.881 450 2HD2 LEU 57 1HD2 LEU 57 10.933 6.282 3.536 451 3HD2 LEU 57 3HD2 LEU 57 9.544 5.204 3.627 452 H PHE 58 HN PHE 58 13.140 1.351 1.083 453 HA PHE 58 HA PHE 58 12.711 2.964 -1.363 454 1HB PHE 58 HB2 PHE 58 14.179 0.413 -0.926 455 2HB PHE 58 HB1 PHE 58 13.208 0.538 -2.376 456 HD1 PHE 58 HD1 PHE 58 16.375 0.973 -1.067 457 HD2 PHE 58 HD2 PHE 58 13.609 2.754 -3.712 458 HE1 PHE 58 HE1 PHE 58 18.221 2.107 -2.227 459 HE2 PHE 58 HE2 PHE 58 15.429 3.918 -4.865 460 HZ PHE 58 HZ PHE 58 17.741 3.592 -4.134 461 H ARG 59 HN ARG 59 10.883 2.579 -2.476 462 HA ARG 59 HA ARG 59 9.295 0.293 -1.560 463 1HB ARG 59 HB2 ARG 59 7.232 1.496 -2.061 464 2HB ARG 59 HB1 ARG 59 8.197 2.352 -0.871 465 1HG ARG 59 HG2 ARG 59 8.919 3.931 -2.581 466 2HG ARG 59 HG1 ARG 59 7.975 3.031 -3.780 467 1HD ARG 59 HD2 ARG 59 6.882 5.049 -2.896 468 2HD ARG 59 HD1 ARG 59 5.940 3.563 -2.727 469 HE ARG 59 HE ARG 59 7.333 3.840 -0.364 470 1HH1 ARG 59 1HH1 ARG 59 4.936 5.830 -2.077 471 2HH1 ARG 59 2HH1 ARG 59 4.308 6.474 -0.621 472 1HH2 ARG 59 1HH2 ARG 59 6.534 4.679 1.456 473 2HH2 ARG 59 2HH2 ARG 59 5.255 5.816 1.490 474 H LYS 60 HN LYS 60 8.728 -1.119 -2.965 475 HA LYS 60 HA LYS 60 8.760 -0.396 -5.827 476 1HB LYS 60 HB2 LYS 60 10.526 -1.957 -5.356 477 2HB LYS 60 HB1 LYS 60 9.428 -3.034 -4.478 478 1HG LYS 60 HG2 LYS 60 9.696 -4.084 -6.521 479 2HG LYS 60 HG1 LYS 60 8.229 -3.149 -6.787 480 1HD LYS 60 HD2 LYS 60 9.677 -2.900 -8.715 481 2HD LYS 60 HD1 LYS 60 9.634 -1.368 -7.836 482 1HE LYS 60 HE2 LYS 60 11.761 -1.643 -6.955 483 2HE LYS 60 HE1 LYS 60 11.815 -3.363 -7.296 484 1HZ LYS 60 HZ1 LYS 60 11.805 -1.203 -9.326 485 2HZ LYS 60 HZ3 LYS 60 13.147 -2.133 -8.857 486 3HZ LYS 60 HZ2 LYS 60 11.848 -2.842 -9.645 487 H GLN 61 HN GLN 61 6.732 -0.456 -6.629 488 HA GLN 61 HA GLN 61 4.882 -2.021 -5.069 489 1HB GLN 61 HB2 GLN 61 3.118 -0.359 -5.628 490 2HB GLN 61 HB1 GLN 61 4.430 0.179 -4.580 491 1HG GLN 61 HG2 GLN 61 5.454 1.284 -6.472 492 2HG GLN 61 HG1 GLN 61 4.031 0.832 -7.449 493 1HE2 GLN 61 1HE2 GLN 61 5.245 2.724 -4.865 494 2HE2 GLN 61 2HE2 GLN 61 3.952 3.819 -4.686 495 H MET 62 HN MET 62 2.946 -2.731 -6.108 496 HA MET 62 HA MET 62 3.412 -3.444 -8.873 497 1HB MET 62 HB2 MET 62 3.215 -5.869 -8.295 498 2HB MET 62 HB1 MET 62 4.686 -5.106 -7.711 499 1HG MET 62 HG2 MET 62 3.379 -4.790 -5.510 500 2HG MET 62 HG1 MET 62 2.294 -6.012 -6.158 501 1HE MET 62 HE1 MET 62 5.862 -5.142 -4.902 502 2HE MET 62 HE3 MET 62 6.752 -6.642 -5.046 503 3HE MET 62 HE2 MET 62 6.328 -5.738 -6.494 504 H ASP 63 HN ASP 63 1.576 -4.136 -9.902 505 HA ASP 63 HA ASP 63 -0.799 -2.985 -8.760 506 1HB ASP 63 HB2 ASP 63 -0.289 -4.083 -11.517 507 2HB ASP 63 HB1 ASP 63 -1.782 -3.307 -11.011 508 H ASP 64 HN ASP 64 -0.314 -5.153 -7.358 509 HA ASP 64 HA ASP 64 -2.559 -6.871 -8.164 510 1HB ASP 64 HB2 ASP 64 -0.368 -8.164 -8.015 511 2HB ASP 64 HB1 ASP 64 -0.265 -7.694 -6.324 512 H ILE 65 HN ILE 65 -3.825 -7.518 -6.270 513 HA ILE 65 HA ILE 65 -4.206 -5.262 -4.625 514 HB ILE 65 HB ILE 65 -5.811 -6.781 -3.376 515 1HG1 ILE 65 2HG1 ILE 65 -5.352 -8.503 -5.839 516 2HG1 ILE 65 1HG1 ILE 65 -4.921 -8.945 -4.195 517 1HG2 ILE 65 3HG2 ILE 65 -6.185 -6.008 -6.244 518 2HG2 ILE 65 2HG2 ILE 65 -7.517 -6.474 -5.175 519 3HG2 ILE 65 1HG2 ILE 65 -6.533 -5.047 -4.814 520 1HD1 ILE 65 3HD1 ILE 65 -7.708 -8.519 -5.253 521 2HD1 ILE 65 2HD1 ILE 65 -6.942 -10.072 -4.916 522 3HD1 ILE 65 1HD1 ILE 65 -7.297 -8.958 -3.598 523 H SER 66 HN SER 66 -2.823 -8.444 -4.074 524 HA SER 66 HA SER 66 -0.822 -8.204 -2.508 525 1HB SER 66 HB2 SER 66 -2.033 -6.657 -0.877 526 2HB SER 66 HB1 SER 66 -3.157 -7.985 -0.590 527 HG SER 66 HG SER 66 -1.019 -7.512 0.768 528 HA PRO 67 HA PRO 67 -1.796 -12.533 -2.351 529 1HB PRO 67 HB2 PRO 67 0.033 -13.332 -0.428 530 2HB PRO 67 HB1 PRO 67 0.406 -13.141 -2.141 531 1HG PRO 67 HG2 PRO 67 0.995 -11.355 0.139 532 2HG PRO 67 HG1 PRO 67 1.914 -11.599 -1.355 533 1HD PRO 67 HD2 PRO 67 0.298 -9.433 -0.806 534 2HD PRO 67 HD1 PRO 67 0.707 -9.923 -2.443 535 H LEU 68 HN LEU 68 -1.791 -10.449 0.426 536 HA LEU 68 HA LEU 68 -3.223 -12.260 2.100 537 1HB LEU 68 HB2 LEU 68 -1.620 -10.269 2.733 538 2HB LEU 68 HB1 LEU 68 -3.043 -9.285 2.501 539 HG LEU 68 HG LEU 68 -2.601 -9.836 4.892 540 1HD1 LEU 68 2HD1 LEU 68 -4.922 -9.371 4.163 541 2HD1 LEU 68 1HD1 LEU 68 -5.139 -11.101 3.896 542 3HD1 LEU 68 3HD1 LEU 68 -4.839 -10.500 5.522 543 1HD2 LEU 68 1HD2 LEU 68 -1.639 -12.031 4.452 544 2HD2 LEU 68 3HD2 LEU 68 -2.894 -12.081 5.697 545 3HD2 LEU 68 2HD2 LEU 68 -3.251 -12.643 4.060 546 H SER 69 HN SER 69 -3.935 -9.545 -0.083 547 HA SER 69 HA SER 69 -6.627 -9.313 0.611 548 1HB SER 69 HB2 SER 69 -5.320 -8.673 -2.025 549 2HB SER 69 HB1 SER 69 -6.861 -8.035 -1.432 550 HG SER 69 HG SER 69 -5.823 -6.674 -0.217 551 H LYS 70 HN LYS 70 -4.985 -11.622 -1.356 552 HA LYS 70 HA LYS 70 -7.146 -12.739 -2.805 553 1HB LYS 70 HB2 LYS 70 -4.936 -14.348 -1.518 554 2HB LYS 70 HB1 LYS 70 -5.826 -14.720 -2.982 555 1HG LYS 70 HG2 LYS 70 -3.899 -12.439 -2.673 556 2HG LYS 70 HG1 LYS 70 -3.498 -14.009 -3.358 557 1HD LYS 70 HD2 LYS 70 -5.057 -13.637 -5.170 558 2HD LYS 70 HD1 LYS 70 -5.573 -12.108 -4.440 559 1HE LYS 70 HE2 LYS 70 -3.364 -11.196 -4.680 560 2HE LYS 70 HE1 LYS 70 -2.755 -12.733 -5.282 561 1HZ LYS 70 HZ3 LYS 70 -4.823 -11.102 -6.646 562 2HZ LYS 70 HZ2 LYS 70 -3.174 -11.050 -6.986 563 3HZ LYS 70 HZ1 LYS 70 -4.046 -12.479 -7.250 564 H VAL 71 HN VAL 71 -6.149 -12.902 0.528 565 HA VAL 71 HA VAL 71 -7.889 -15.177 1.125 566 HB VAL 71 HB VAL 71 -6.621 -15.590 3.022 567 1HG1 VAL 71 3HG1 VAL 71 -5.162 -15.839 1.134 568 2HG1 VAL 71 2HG1 VAL 71 -4.636 -14.162 1.327 569 3HG1 VAL 71 1HG1 VAL 71 -4.261 -15.343 2.576 570 1HG2 VAL 71 3HG2 VAL 71 -5.779 -12.719 3.132 571 2HG2 VAL 71 2HG2 VAL 71 -6.954 -13.496 4.190 572 3HG2 VAL 71 1HG2 VAL 71 -5.249 -13.959 4.273 573 H ASN 72 HN ASN 72 -7.595 -11.835 1.406 574 HA ASN 72 HA ASN 72 -9.688 -11.640 3.440 575 1HB ASN 72 HB2 ASN 72 -7.556 -10.422 3.802 576 2HB ASN 72 HB1 ASN 72 -7.883 -9.458 2.375 577 1HD2 ASN 72 1HD2 ASN 72 -8.075 -7.516 3.361 578 2HD2 ASN 72 2HD2 ASN 72 -9.299 -7.123 4.497 579 H GLY 73 HN GLY 73 -8.887 -9.422 0.783 580 1HA GLY 73 HA1 GLY 73 -11.190 -9.910 -0.770 581 2HA GLY 73 HA2 GLY 73 -10.146 -8.506 -0.890 582 H TYR 74 HN TYR 74 -10.548 -7.545 1.764 583 HA TYR 74 HA TYR 74 -13.404 -6.979 1.869 584 1HB TYR 74 HB2 TYR 74 -11.465 -7.679 4.017 585 2HB TYR 74 HB1 TYR 74 -12.668 -6.457 4.371 586 HD1 TYR 74 HD1 TYR 74 -14.799 -7.066 5.013 587 HD2 TYR 74 HD2 TYR 74 -12.297 -9.996 3.229 588 HE1 TYR 74 HE1 TYR 74 -16.419 -8.791 5.623 589 HE2 TYR 74 HE2 TYR 74 -13.914 -11.749 3.830 590 HH TYR 74 HH TYR 74 -15.687 -12.094 5.499 591 H ILE 75 HN ILE 75 -13.642 -5.171 1.162 592 HA ILE 75 HA ILE 75 -11.788 -3.016 1.730 593 HB ILE 75 HB ILE 75 -14.049 -3.493 -0.091 594 1HG1 ILE 75 2HG1 ILE 75 -11.241 -2.613 -0.644 595 2HG1 ILE 75 1HG1 ILE 75 -11.854 -4.261 -0.722 596 1HG2 ILE 75 3HG2 ILE 75 -12.681 -0.779 0.357 597 2HG2 ILE 75 2HG2 ILE 75 -13.810 -1.093 -0.958 598 3HG2 ILE 75 1HG2 ILE 75 -14.370 -1.142 0.715 599 1HD1 ILE 75 1HD1 ILE 75 -13.348 -3.555 -2.562 600 2HD1 ILE 75 3HD1 ILE 75 -12.692 -1.929 -2.447 601 3HD1 ILE 75 2HD1 ILE 75 -11.655 -3.261 -2.945 602 H GLY 76 HN GLY 76 -12.363 -1.445 3.091 603 1HA GLY 76 HA1 GLY 76 -13.433 -1.538 5.333 604 2HA GLY 76 HA2 GLY 76 -14.934 -1.747 4.435 605 H VAL 77 HN VAL 77 -16.018 -0.041 4.020 606 HA VAL 77 HA VAL 77 -14.583 2.472 3.995 607 HB VAL 77 HB VAL 77 -17.268 1.794 2.833 608 1HG1 VAL 77 1HG1 VAL 77 -15.795 4.423 2.784 609 2HG1 VAL 77 3HG1 VAL 77 -17.263 4.067 1.878 610 3HG1 VAL 77 2HG1 VAL 77 -17.293 4.089 3.645 611 1HG2 VAL 77 3HG2 VAL 77 -14.634 2.445 1.553 612 2HG2 VAL 77 2HG2 VAL 77 -15.467 0.901 1.502 613 3HG2 VAL 77 1HG2 VAL 77 -16.143 2.299 0.658 614 H SER 78 HN SER 78 -14.924 3.839 5.493 615 HA SER 78 HA SER 78 -16.842 2.951 7.494 616 1HB SER 78 HB2 SER 78 -14.502 4.820 7.914 617 2HB SER 78 HB1 SER 78 -15.570 4.133 9.120 618 HG SER 78 HG SER 78 -13.800 2.695 7.439 619 H ASP 79 HN ASP 79 -17.542 4.966 8.909 620 HA ASP 79 HA ASP 79 -19.647 5.998 7.657 621 1HB ASP 79 HB2 ASP 79 -19.709 7.612 9.493 622 2HB ASP 79 HB1 ASP 79 -19.623 5.914 10.010 623 H ASN 80 HN ASN 80 -16.575 7.587 7.847 624 HA ASN 80 HA ASN 80 -17.650 10.012 6.657 625 1HB ASN 80 HB2 ASN 80 -14.884 9.214 7.481 626 2HB ASN 80 HB1 ASN 80 -15.206 10.726 6.628 627 1HD2 ASN 80 1HD2 ASN 80 -15.571 8.964 9.552 628 2HD2 ASN 80 2HD2 ASN 80 -16.087 10.271 10.539 629 H GLY 81 HN GLY 81 -17.262 7.219 5.299 630 1HA GLY 81 HA1 GLY 81 -16.904 8.262 2.687 631 2HA GLY 81 HA2 GLY 81 -17.269 6.606 3.153 632 H VAL 82 HN VAL 82 -15.016 6.401 4.968 633 HA VAL 82 HA VAL 82 -12.785 6.950 3.292 634 HB VAL 82 HB VAL 82 -11.356 6.079 4.872 635 1HG1 VAL 82 2HG1 VAL 82 -13.533 7.621 6.239 636 2HG1 VAL 82 1HG1 VAL 82 -11.911 7.386 6.916 637 3HG1 VAL 82 3HG1 VAL 82 -12.124 8.246 5.390 638 1HG2 VAL 82 2HG2 VAL 82 -13.685 4.842 6.213 639 2HG2 VAL 82 1HG2 VAL 82 -12.206 4.100 5.607 640 3HG2 VAL 82 3HG2 VAL 82 -12.141 5.093 7.070 641 H ILE 83 HN ILE 83 -11.921 5.858 1.925 642 HA ILE 83 HA ILE 83 -13.068 3.387 0.991 643 HB ILE 83 HB ILE 83 -10.949 5.089 -0.389 644 1HG1 ILE 83 2HG1 ILE 83 -12.877 6.443 0.048 645 2HG1 ILE 83 1HG1 ILE 83 -12.921 5.979 -1.649 646 1HG2 ILE 83 2HG2 ILE 83 -11.174 2.779 -1.301 647 2HG2 ILE 83 1HG2 ILE 83 -12.898 3.033 -1.493 648 3HG2 ILE 83 3HG2 ILE 83 -11.759 3.983 -2.458 649 1HD1 ILE 83 1HD1 ILE 83 -14.485 4.712 0.577 650 2HD1 ILE 83 3HD1 ILE 83 -15.126 5.854 -0.607 651 3HD1 ILE 83 2HD1 ILE 83 -14.575 4.250 -1.122 652 H SER 84 HN SER 84 -11.833 2.753 3.220 653 HA SER 84 HA SER 84 -9.036 2.153 2.605 654 1HB SER 84 HB2 SER 84 -9.062 1.657 5.098 655 2HB SER 84 HB1 SER 84 -9.322 3.336 4.614 656 HG SER 84 HG SER 84 -11.590 1.735 4.860 657 H THR 85 HN THR 85 -8.283 0.005 3.410 658 HA THR 85 HA THR 85 -10.396 -1.963 3.120 659 HB THR 85 HB THR 85 -8.582 -3.567 2.532 660 HG1 THR 85 HG1 THR 85 -6.529 -2.799 2.160 661 1HG2 THR 85 2HG2 THR 85 -8.687 -1.059 0.833 662 2HG2 THR 85 1HG2 THR 85 -8.103 -2.637 0.294 663 3HG2 THR 85 3HG2 THR 85 -9.792 -2.423 0.750 664 H PHE 86 HN PHE 86 -10.376 -3.742 4.556 665 HA PHE 86 HA PHE 86 -8.848 -3.255 6.958 666 1HB PHE 86 HB2 PHE 86 -11.817 -3.816 6.788 667 2HB PHE 86 HB1 PHE 86 -10.905 -4.159 8.237 668 HD1 PHE 86 HD1 PHE 86 -11.230 -1.297 5.896 669 HD2 PHE 86 HD2 PHE 86 -11.256 -2.674 9.885 670 HE1 PHE 86 HE1 PHE 86 -11.792 0.990 6.674 671 HE2 PHE 86 HE2 PHE 86 -11.789 -0.406 10.695 672 HZ PHE 86 HZ PHE 86 -12.062 1.430 9.077 673 H HIS 87 HN HIS 87 -8.505 -5.271 8.120 674 HA HIS 87 HA HIS 87 -8.796 -7.568 6.413 675 1HB HIS 87 HB2 HIS 87 -7.491 -8.771 8.291 676 2HB HIS 87 HB1 HIS 87 -6.627 -7.582 7.340 677 HD1 HIS 87 HD1 HIS 87 -5.096 -6.254 8.776 678 HD2 HIS 87 HD2 HIS 87 -8.537 -7.357 10.834 679 HE1 HIS 87 HE1 HIS 87 -4.843 -5.345 11.120 680 H GLY 88 HN GLY 88 -10.570 -8.613 6.385 681 1HA GLY 88 HA1 GLY 88 -11.883 -9.409 8.831 682 2HA GLY 88 HA2 GLY 88 -12.364 -9.828 7.188 683 H ARG 89 HN ARG 89 -14.247 -9.088 9.022 684 HA ARG 89 HA ARG 89 -15.684 -7.044 7.787 685 1HB ARG 89 HB2 ARG 89 -15.900 -8.265 10.525 686 2HB ARG 89 HB1 ARG 89 -17.030 -7.063 9.943 687 1HG ARG 89 HG2 ARG 89 -16.569 -9.581 8.395 688 2HG ARG 89 HG1 ARG 89 -17.660 -9.564 9.780 689 1HD ARG 89 HD2 ARG 89 -18.950 -7.740 8.712 690 2HD ARG 89 HD1 ARG 89 -17.890 -7.775 7.332 691 HE ARG 89 HE ARG 89 -18.653 -10.163 7.098 692 1HH1 ARG 89 1HH1 ARG 89 -20.713 -7.837 8.753 693 2HH1 ARG 89 2HH1 ARG 89 -22.168 -8.408 8.097 694 1HH2 ARG 89 1HH2 ARG 89 -20.628 -10.978 6.194 695 2HH2 ARG 89 2HH2 ARG 89 -22.114 -10.243 6.597 696 HA PRO 90 HA PRO 90 -13.592 -3.516 9.613 697 1HB PRO 90 HB2 PRO 90 -15.442 -1.696 8.537 698 2HB PRO 90 HB1 PRO 90 -13.900 -2.161 7.820 699 1HG PRO 90 HG2 PRO 90 -16.609 -2.936 7.072 700 2HG PRO 90 HG1 PRO 90 -15.124 -3.083 6.137 701 1HD PRO 90 HD2 PRO 90 -16.534 -5.141 7.421 702 2HD PRO 90 HD1 PRO 90 -14.922 -5.290 6.730 703 H GLU 91 HN GLU 91 -13.997 -3.732 11.672 704 HA GLU 91 HA GLU 91 -16.349 -2.469 12.814 705 1HB GLU 91 HB2 GLU 91 -16.612 -4.437 14.365 706 2HB GLU 91 HB1 GLU 91 -16.806 -4.864 12.688 707 1HG GLU 91 HG2 GLU 91 -14.549 -5.748 12.624 708 2HG GLU 91 HG1 GLU 91 -14.345 -5.340 14.327 709 HA PRO 92 HA PRO 92 -13.291 -0.738 15.573 710 1HB PRO 92 HB2 PRO 92 -14.015 -1.484 18.140 711 2HB PRO 92 HB1 PRO 92 -14.681 -0.090 17.271 712 1HG PRO 92 HG2 PRO 92 -15.815 -2.801 17.713 713 2HG PRO 92 HG1 PRO 92 -16.649 -1.243 17.583 714 1HD PRO 92 HD2 PRO 92 -16.556 -3.112 15.619 715 2HD PRO 92 HD1 PRO 92 -16.751 -1.370 15.274 716 H ALA 93 HN ALA 93 -13.935 -4.095 15.963 717 HA ALA 93 HA ALA 93 -11.447 -4.654 17.311 718 1HB ALA 93 HB3 ALA 93 -13.409 -6.023 17.722 719 2HB ALA 93 HB1 ALA 93 -12.088 -6.998 17.070 720 3HB ALA 93 HB2 ALA 93 -13.430 -6.520 16.025 721 H SER 94 HN SER 94 -12.198 -3.786 14.264 722 HA SER 94 HA SER 94 -9.880 -5.213 13.155 723 1HB SER 94 HB2 SER 94 -12.137 -5.597 12.008 724 2HB SER 94 HB1 SER 94 -12.129 -3.885 11.623 725 HG SER 94 HG SER 94 -10.835 -5.919 10.389 726 H GLU 95 HN GLU 95 -8.789 -3.674 11.466 727 HA GLU 95 HA GLU 95 -9.022 -0.937 12.339 728 1HB GLU 95 HB2 GLU 95 -6.580 -0.705 12.578 729 2HB GLU 95 HB1 GLU 95 -7.261 -1.833 13.739 730 1HG GLU 95 HG2 GLU 95 -6.478 -3.699 12.402 731 2HG GLU 95 HG1 GLU 95 -5.838 -2.579 11.201 732 HA PRO 96 HA PRO 96 -8.532 -0.286 8.002 733 1HB PRO 96 HB2 PRO 96 -7.278 2.305 8.467 734 2HB PRO 96 HB1 PRO 96 -8.870 1.954 7.794 735 1HG PRO 96 HG2 PRO 96 -8.500 3.077 10.222 736 2HG PRO 96 HG1 PRO 96 -9.899 2.057 9.821 737 1HD PRO 96 HD2 PRO 96 -7.432 1.379 11.370 738 2HD PRO 96 HD1 PRO 96 -9.114 0.870 11.639 739 H ILE 97 HN ILE 97 -7.047 -0.971 6.744 740 HA ILE 97 HA ILE 97 -4.360 -1.435 7.572 741 HB ILE 97 HB ILE 97 -5.644 -1.638 4.825 742 1HG1 ILE 97 2HG1 ILE 97 -5.101 -3.835 6.835 743 2HG1 ILE 97 1HG1 ILE 97 -6.644 -3.001 6.688 744 1HG2 ILE 97 2HG2 ILE 97 -3.026 -2.792 5.823 745 2HG2 ILE 97 1HG2 ILE 97 -3.787 -3.168 4.274 746 3HG2 ILE 97 3HG2 ILE 97 -3.224 -1.535 4.598 747 1HD1 ILE 97 1HD1 ILE 97 -5.320 -4.597 4.508 748 2HD1 ILE 97 3HD1 ILE 97 -6.646 -5.142 5.554 749 3HD1 ILE 97 2HD1 ILE 97 -6.904 -3.792 4.460 750 H GLN 98 HN GLN 98 -5.990 0.930 5.642 751 HA GLN 98 HA GLN 98 -3.977 2.824 6.015 752 1HB GLN 98 HB2 GLN 98 -3.352 3.272 3.747 753 2HB GLN 98 HB1 GLN 98 -3.144 1.560 4.008 754 1HG GLN 98 HG2 GLN 98 -5.147 2.991 2.294 755 2HG GLN 98 HG1 GLN 98 -4.022 1.707 1.873 756 1HE2 GLN 98 1HE2 GLN 98 -4.473 -0.175 3.149 757 2HE2 GLN 98 2HE2 GLN 98 -6.100 -0.842 3.113 758 H SER 99 HN SER 99 -4.962 4.769 4.260 759 HA SER 99 HA SER 99 -7.747 4.303 3.944 760 1HB SER 99 HB2 SER 99 -8.254 6.662 4.824 761 2HB SER 99 HB1 SER 99 -7.842 5.454 6.045 762 HG SER 99 HG SER 99 -5.735 6.260 6.027 763 H PHE 100 HN PHE 100 -8.305 5.002 1.873 764 HA PHE 100 HA PHE 100 -6.238 6.332 0.366 765 1HB PHE 100 HB2 PHE 100 -8.892 5.153 -0.430 766 2HB PHE 100 HB1 PHE 100 -7.900 6.062 -1.559 767 HD1 PHE 100 HD1 PHE 100 -5.859 5.148 -2.420 768 HD2 PHE 100 HD2 PHE 100 -8.229 2.962 0.350 769 HE1 PHE 100 HE1 PHE 100 -4.627 3.102 -2.980 770 HE2 PHE 100 HE2 PHE 100 -6.999 0.921 -0.197 771 HZ PHE 100 HZ PHE 100 -5.198 0.982 -1.862 772 H PHE 101 HN PHE 101 -9.739 6.922 0.564 773 HA PHE 101 HA PHE 101 -9.293 9.644 1.167 774 1HB PHE 101 HB2 PHE 101 -10.508 10.508 -0.867 775 2HB PHE 101 HB1 PHE 101 -8.914 9.828 -1.181 776 HD1 PHE 101 HD1 PHE 101 -8.647 7.819 -2.465 777 HD2 PHE 101 HD2 PHE 101 -12.516 9.393 -1.686 778 HE1 PHE 101 HE1 PHE 101 -9.581 6.350 -4.195 779 HE2 PHE 101 HE2 PHE 101 -13.457 7.925 -3.414 780 HZ PHE 101 HZ PHE 101 -11.993 6.399 -4.665 781 H GLN 102 HN GLN 102 -11.608 10.747 0.861 782 HA GLN 102 HA GLN 102 -13.501 8.982 2.235 783 1HB GLN 102 HB2 GLN 102 -12.779 11.870 2.648 784 2HB GLN 102 HB1 GLN 102 -14.289 11.198 3.244 785 1HG GLN 102 HG2 GLN 102 -13.283 9.897 4.767 786 2HG GLN 102 HG1 GLN 102 -11.740 9.820 3.935 787 1HE2 GLN 102 1HE2 GLN 102 -13.824 11.655 5.975 788 2HE2 GLN 102 2HE2 GLN 102 -12.632 12.777 6.527 789 H ILE 103 HN ILE 103 -15.604 9.124 1.705 790 HA ILE 103 HA ILE 103 -16.428 10.936 -0.437 791 HB ILE 103 HB ILE 103 -17.593 9.178 -1.717 792 1HG1 ILE 103 2HG1 ILE 103 -16.585 7.220 0.366 793 2HG1 ILE 103 1HG1 ILE 103 -18.247 7.778 0.238 794 1HG2 ILE 103 1HG2 ILE 103 -14.804 8.311 -1.103 795 2HG2 ILE 103 3HG2 ILE 103 -15.780 7.807 -2.485 796 3HG2 ILE 103 2HG2 ILE 103 -15.323 9.500 -2.301 797 1HD1 ILE 103 3HD1 ILE 103 -18.341 6.843 -2.032 798 2HD1 ILE 103 2HD1 ILE 103 -16.723 6.201 -1.808 799 3HD1 ILE 103 1HD1 ILE 103 -18.049 5.612 -0.793 800 H ASP 104 HN ASP 104 -18.834 11.140 -0.528 801 HA ASP 104 HA ASP 104 -19.890 11.153 2.132 802 1HB ASP 104 HB2 ASP 104 -20.750 12.284 -0.507 803 2HB ASP 104 HB1 ASP 104 -21.953 12.118 0.742 804 H LEU 105 HN LEU 105 -20.726 9.403 2.968 805 HA LEU 105 HA LEU 105 -21.632 7.323 1.287 806 1HB LEU 105 HB2 LEU 105 -21.853 7.646 4.248 807 2HB LEU 105 HB1 LEU 105 -22.474 6.260 3.383 808 HG LEU 105 HG LEU 105 -19.653 7.045 3.935 809 1HD1 LEU 105 2HD1 LEU 105 -21.258 4.530 4.113 810 2HD1 LEU 105 1HD1 LEU 105 -19.549 4.664 4.555 811 3HD1 LEU 105 3HD1 LEU 105 -20.777 5.567 5.458 812 1HD2 LEU 105 1HD2 LEU 105 -20.534 5.168 1.720 813 2HD2 LEU 105 3HD2 LEU 105 -19.649 6.683 1.519 814 3HD2 LEU 105 2HD2 LEU 105 -18.896 5.320 2.336 815 H GLU 106 HN GLU 106 -23.108 9.874 2.960 816 HA GLU 106 HA GLU 106 -25.771 9.109 2.622 817 1HB GLU 106 HB2 GLU 106 -26.248 11.566 2.778 818 2HB GLU 106 HB1 GLU 106 -25.273 10.913 4.087 819 1HG GLU 106 HG2 GLU 106 -23.264 11.790 3.049 820 2HG GLU 106 HG1 GLU 106 -24.199 12.429 1.711 821 H ARG 107 HN ARG 107 -23.433 10.239 0.304 822 HA ARG 107 HA ARG 107 -25.508 10.904 -1.576 823 1HB ARG 107 HB2 ARG 107 -23.943 11.928 -2.865 824 2HB ARG 107 HB1 ARG 107 -23.145 12.016 -1.309 825 1HG ARG 107 HG2 ARG 107 -21.747 10.164 -1.844 826 2HG ARG 107 HG1 ARG 107 -22.626 9.927 -3.363 827 1HD ARG 107 HD2 ARG 107 -20.842 12.275 -2.618 828 2HD ARG 107 HD1 ARG 107 -20.585 11.066 -3.839 829 HE ARG 107 HE ARG 107 -23.017 12.352 -4.228 830 1HH1 ARG 107 1HH1 ARG 107 -19.616 13.157 -4.435 831 2HH1 ARG 107 2HH1 ARG 107 -19.701 13.893 -5.970 832 1HH2 ARG 107 1HH2 ARG 107 -23.196 13.421 -6.354 833 2HH2 ARG 107 2HH2 ARG 107 -21.818 14.073 -7.099 834 H LEU 108 HN LEU 108 -23.467 8.223 -0.802 835 HA LEU 108 HA LEU 108 -23.956 6.606 -3.083 836 1HB LEU 108 HB2 LEU 108 -23.504 5.948 -0.184 837 2HB LEU 108 HB1 LEU 108 -24.023 4.691 -1.276 838 HG LEU 108 HG LEU 108 -21.557 4.539 -1.040 839 1HD1 LEU 108 3HD1 LEU 108 -22.482 3.976 -3.036 840 2HD1 LEU 108 2HD1 LEU 108 -22.205 5.621 -3.641 841 3HD1 LEU 108 1HD1 LEU 108 -20.839 4.613 -3.137 842 1HD2 LEU 108 1HD2 LEU 108 -21.615 7.431 -1.770 843 2HD2 LEU 108 3HD2 LEU 108 -21.096 6.626 -0.268 844 3HD2 LEU 108 2HD2 LEU 108 -20.197 6.355 -1.767 845 H GLU 109 HN GLU 109 -25.558 5.345 -3.712 846 HA GLU 109 HA GLU 109 -28.130 6.255 -3.363 847 1HB GLU 109 HB2 GLU 109 -28.946 4.204 -4.440 848 2HB GLU 109 HB1 GLU 109 -27.583 4.915 -5.282 849 1HG GLU 109 HG2 GLU 109 -26.112 3.221 -4.333 850 2HG GLU 109 HG1 GLU 109 -27.457 2.544 -3.434 851 H SER 110 HN SER 110 -26.672 3.557 -1.721 852 HA SER 110 HA SER 110 -27.175 3.916 0.770 853 1HB SER 110 HB2 SER 110 -29.771 2.682 -0.206 854 2HB SER 110 HB1 SER 110 -29.234 2.540 1.466 855 HG SER 110 HG SER 110 -29.796 4.835 -0.030 856 H HIS 111 HN HIS 111 -27.983 1.047 -1.259 857 HA HIS 111 HA HIS 111 -26.825 -0.588 0.762 858 1HB HIS 111 HB2 HIS 111 -27.250 -2.533 -0.613 859 2HB HIS 111 HB1 HIS 111 -28.623 -1.458 -0.784 860 HD1 HIS 111 HD1 HIS 111 -29.085 -0.538 -3.226 861 HD2 HIS 111 HD2 HIS 111 -25.657 -2.872 -2.888 862 HE1 HIS 111 HE1 HIS 111 -28.390 -1.096 -5.554 863 H MET 112 HN MET 112 -25.578 0.835 -2.047 864 HA MET 112 HA MET 112 -23.172 -0.474 -2.434 865 1HB MET 112 HB2 MET 112 -24.055 2.358 -2.737 866 2HB MET 112 HB1 MET 112 -22.356 1.955 -2.949 867 1HG MET 112 HG2 MET 112 -24.512 0.512 -4.452 868 2HG MET 112 HG1 MET 112 -23.862 2.047 -5.024 869 1HE MET 112 HE1 MET 112 -21.400 2.473 -5.613 870 2HE MET 112 HE3 MET 112 -20.787 1.821 -4.101 871 3HE MET 112 HE2 MET 112 -20.107 1.270 -5.628 872 H GLN 113 HN GLN 113 -23.775 2.281 -0.240 873 HA GLN 113 HA GLN 113 -21.142 2.229 0.780 874 1HB GLN 113 HB2 GLN 113 -22.014 3.712 2.576 875 2HB GLN 113 HB1 GLN 113 -22.281 4.340 0.946 876 1HG GLN 113 HG2 GLN 113 -24.462 4.248 1.166 877 2HG GLN 113 HG1 GLN 113 -24.330 2.683 2.003 878 1HE2 GLN 113 1HE2 GLN 113 -24.643 6.107 2.439 879 2HE2 GLN 113 2HE2 GLN 113 -24.841 6.051 4.145 880 H LYS 114 HN LYS 114 -24.146 0.768 1.733 881 HA LYS 114 HA LYS 114 -23.328 -0.021 4.324 882 1HB LYS 114 HB2 LYS 114 -25.505 -1.175 2.604 883 2HB LYS 114 HB1 LYS 114 -25.272 -1.515 4.313 884 1HG LYS 114 HG2 LYS 114 -25.591 0.894 4.784 885 2HG LYS 114 HG1 LYS 114 -25.963 1.135 3.075 886 1HD LYS 114 HD2 LYS 114 -27.772 -0.547 3.300 887 2HD LYS 114 HD1 LYS 114 -27.394 -0.591 5.033 888 1HE LYS 114 HE2 LYS 114 -27.910 1.792 5.203 889 2HE LYS 114 HE1 LYS 114 -28.301 1.837 3.492 890 1HZ LYS 114 HZ3 LYS 114 -29.731 0.211 5.521 891 2HZ LYS 114 HZ2 LYS 114 -30.281 1.659 4.885 892 3HZ LYS 114 HZ1 LYS 114 -30.130 0.309 3.882 893 H ASN 115 HN ASN 115 -23.049 -1.542 1.192 894 HA ASN 115 HA ASN 115 -22.227 -4.105 2.155 895 1HB ASN 115 HB2 ASN 115 -23.036 -3.633 -0.225 896 2HB ASN 115 HB1 ASN 115 -21.533 -2.771 -0.484 897 1HD2 ASN 115 1HD2 ASN 115 -21.247 -4.222 -2.208 898 2HD2 ASN 115 2HD2 ASN 115 -20.636 -5.806 -1.910 899 H LEU 116 HN LEU 116 -20.670 -1.131 1.327 900 HA LEU 116 HA LEU 116 -18.005 -2.032 1.701 901 1HB LEU 116 HB2 LEU 116 -19.111 0.766 1.875 902 2HB LEU 116 HB1 LEU 116 -17.438 0.267 1.638 903 HG LEU 116 HG LEU 116 -19.581 -0.357 -0.408 904 1HD1 LEU 116 3HD1 LEU 116 -19.449 2.060 -0.023 905 2HD1 LEU 116 2HD1 LEU 116 -17.729 1.980 -0.406 906 3HD1 LEU 116 1HD1 LEU 116 -18.916 1.539 -1.620 907 1HD2 LEU 116 3HD2 LEU 116 -17.473 -1.661 -0.447 908 2HD2 LEU 116 2HD2 LEU 116 -17.693 -0.641 -1.871 909 3HD2 LEU 116 1HD2 LEU 116 -16.582 -0.149 -0.586 910 H LEU 117 HN LEU 117 -20.474 -0.610 3.817 911 HA LEU 117 HA LEU 117 -18.993 0.003 6.071 912 1HB LEU 117 HB2 LEU 117 -21.798 -1.082 5.952 913 2HB LEU 117 HB1 LEU 117 -21.068 -0.366 7.368 914 HG LEU 117 HG LEU 117 -21.752 1.009 4.788 915 1HD1 LEU 117 2HD1 LEU 117 -23.677 0.544 6.236 916 2HD1 LEU 117 1HD1 LEU 117 -22.853 1.334 7.577 917 3HD1 LEU 117 3HD1 LEU 117 -23.325 2.267 6.157 918 1HD2 LEU 117 2HD2 LEU 117 -20.378 2.068 7.240 919 2HD2 LEU 117 1HD2 LEU 117 -19.731 1.899 5.600 920 3HD2 LEU 117 3HD2 LEU 117 -21.023 3.059 5.916 921 H LYS 118 HN LYS 118 -20.548 -3.087 5.246 922 HA LYS 118 HA LYS 118 -19.132 -4.179 7.497 923 1HB LYS 118 HB2 LYS 118 -20.430 -6.287 7.159 924 2HB LYS 118 HB1 LYS 118 -21.331 -4.850 7.593 925 1HG LYS 118 HG2 LYS 118 -22.587 -6.061 6.060 926 2HG LYS 118 HG1 LYS 118 -21.958 -4.595 5.288 927 1HD LYS 118 HD2 LYS 118 -20.365 -5.830 4.031 928 2HD LYS 118 HD1 LYS 118 -20.686 -7.305 4.932 929 1HE LYS 118 HE2 LYS 118 -22.917 -7.419 3.990 930 2HE LYS 118 HE1 LYS 118 -22.656 -5.902 3.132 931 1HZ LYS 118 HZ2 LYS 118 -20.976 -8.316 2.695 932 2HZ LYS 118 HZ1 LYS 118 -22.338 -7.938 1.770 933 3HZ LYS 118 HZ3 LYS 118 -21.034 -6.895 1.782 934 H GLY 119 HN GLY 119 -18.504 -3.797 4.313 935 1HA GLY 119 HA1 GLY 119 -16.353 -5.697 4.663 936 2HA GLY 119 HA2 GLY 119 -16.369 -4.320 3.568 937 H ILE 120 HN ILE 120 -15.787 -5.531 1.904 938 HA ILE 120 HA ILE 120 -17.951 -6.990 0.628 939 HB ILE 120 HB ILE 120 -15.188 -6.418 -0.506 940 1HG1 ILE 120 2HG1 ILE 120 -16.082 -4.257 0.080 941 2HG1 ILE 120 1HG1 ILE 120 -16.258 -4.449 -1.659 942 1HG2 ILE 120 3HG2 ILE 120 -16.477 -8.106 -1.696 943 2HG2 ILE 120 2HG2 ILE 120 -17.834 -6.987 -1.841 944 3HG2 ILE 120 1HG2 ILE 120 -16.318 -6.649 -2.675 945 1HD1 ILE 120 3HD1 ILE 120 -18.658 -5.102 -1.229 946 2HD1 ILE 120 2HD1 ILE 120 -18.378 -4.687 0.449 947 3HD1 ILE 120 1HD1 ILE 120 -18.282 -3.443 -0.769 948 HA PRO 121 HA PRO 121 -16.217 -10.693 2.264 949 1HB PRO 121 HB2 PRO 121 -17.475 -12.508 0.611 950 2HB PRO 121 HB1 PRO 121 -18.185 -11.795 2.059 951 1HG PRO 121 HG2 PRO 121 -18.608 -11.092 -0.800 952 2HG PRO 121 HG1 PRO 121 -19.740 -11.031 0.553 953 1HD PRO 121 HD2 PRO 121 -18.531 -8.825 -0.501 954 2HD PRO 121 HD1 PRO 121 -19.080 -8.936 1.181 955 H PHE 122 HN PHE 122 -15.672 -9.737 -0.895 956 HA PHE 122 HA PHE 122 -13.113 -10.905 -1.079 957 1HB PHE 122 HB2 PHE 122 -14.435 -13.005 -1.431 958 2HB PHE 122 HB1 PHE 122 -15.134 -12.281 -2.873 959 HD1 PHE 122 HD1 PHE 122 -14.091 -12.557 -4.943 960 HD2 PHE 122 HD2 PHE 122 -11.872 -13.223 -1.372 961 HE1 PHE 122 HE1 PHE 122 -12.202 -13.396 -6.275 962 HE2 PHE 122 HE2 PHE 122 -9.982 -14.064 -2.699 963 HZ PHE 122 HZ PHE 122 -10.145 -14.150 -5.152 964 H ARG 123 HN ARG 123 -11.920 -10.066 -2.771 965 HA ARG 123 HA ARG 123 -13.263 -8.615 -4.904 966 1HB ARG 123 HB2 ARG 123 -11.201 -7.460 -3.018 967 2HB ARG 123 HB1 ARG 123 -11.573 -6.766 -4.580 968 1HG ARG 123 HG2 ARG 123 -13.613 -7.102 -2.397 969 2HG ARG 123 HG1 ARG 123 -12.609 -5.664 -2.568 970 1HD ARG 123 HD2 ARG 123 -14.692 -5.171 -3.607 971 2HD ARG 123 HD1 ARG 123 -13.529 -5.423 -4.897 972 HE ARG 123 HE ARG 123 -14.895 -7.823 -4.317 973 1HH1 ARG 123 1HH1 ARG 123 -15.399 -4.682 -5.924 974 2HH1 ARG 123 2HH1 ARG 123 -16.667 -5.232 -6.900 975 1HH2 ARG 123 1HH2 ARG 123 -16.643 -8.568 -5.718 976 2HH2 ARG 123 2HH2 ARG 123 -17.383 -7.470 -6.781 977 H THR 124 HN THR 124 -12.229 -9.050 -6.763 978 HA THR 124 HA THR 124 -9.578 -10.256 -6.627 979 HB THR 124 HB THR 124 -11.169 -9.736 -9.176 980 HG1 THR 124 HG1 THR 124 -12.579 -10.809 -7.744 981 1HG2 THR 124 2HG2 THR 124 -9.247 -11.909 -8.335 982 2HG2 THR 124 1HG2 THR 124 -10.034 -11.764 -9.921 983 3HG2 THR 124 3HG2 THR 124 -8.910 -10.520 -9.381 984 H LYS 125 HN LYS 125 -8.024 -9.149 -8.607 985 HA LYS 125 HA LYS 125 -7.661 -6.629 -7.486 986 1HB LYS 125 HB2 LYS 125 -5.716 -6.373 -8.919 987 2HB LYS 125 HB1 LYS 125 -5.769 -7.965 -8.201 988 1HG LYS 125 HG2 LYS 125 -5.024 -8.350 -10.377 989 2HG LYS 125 HG1 LYS 125 -6.731 -8.767 -10.437 990 1HD LYS 125 HD2 LYS 125 -6.155 -7.498 -12.411 991 2HD LYS 125 HD1 LYS 125 -7.181 -6.494 -11.386 992 1HE LYS 125 HE2 LYS 125 -5.185 -5.349 -10.530 993 2HE LYS 125 HE1 LYS 125 -4.185 -6.385 -11.547 994 1HZ LYS 125 HZ2 LYS 125 -5.558 -5.388 -13.451 995 2HZ LYS 125 HZ1 LYS 125 -6.048 -4.211 -12.346 996 3HZ LYS 125 HZ3 LYS 125 -4.416 -4.385 -12.752 997 H ALA 126 HN ALA 126 -9.220 -7.571 -10.452 998 HA ALA 126 HA ALA 126 -9.253 -4.862 -11.384 999 1HB ALA 126 HB3 ALA 126 -10.727 -7.260 -12.432 1000 2HB ALA 126 HB2 ALA 126 -10.544 -5.708 -13.256 1001 3HB ALA 126 HB1 ALA 126 -9.132 -6.726 -12.958 1002 H GLU 127 HN GLU 127 -11.165 -6.892 -9.428 1003 HA GLU 127 HA GLU 127 -13.591 -5.356 -9.726 1004 1HB GLU 127 HB2 GLU 127 -12.907 -7.079 -7.381 1005 2HB GLU 127 HB1 GLU 127 -14.494 -6.662 -8.002 1006 1HG GLU 127 HG2 GLU 127 -13.655 -7.935 -10.128 1007 2HG GLU 127 HG1 GLU 127 -12.492 -8.527 -8.989 1008 H PHE 128 HN PHE 128 -10.798 -5.405 -7.694 1009 HA PHE 128 HA PHE 128 -11.671 -3.662 -5.687 1010 1HB PHE 128 HB2 PHE 128 -9.716 -5.053 -5.404 1011 2HB PHE 128 HB1 PHE 128 -8.928 -4.309 -6.784 1012 HD1 PHE 128 HD1 PHE 128 -9.729 -3.989 -3.282 1013 HD2 PHE 128 HD2 PHE 128 -8.117 -2.041 -6.664 1014 HE1 PHE 128 HE1 PHE 128 -8.747 -2.283 -1.799 1015 HE2 PHE 128 HE2 PHE 128 -7.101 -0.315 -5.207 1016 HZ PHE 128 HZ PHE 128 -7.428 -0.440 -2.765 1017 H GLU 129 HN GLU 129 -9.705 -3.076 -8.604 1018 HA GLU 129 HA GLU 129 -9.811 -0.286 -8.289 1019 1HB GLU 129 HB2 GLU 129 -9.071 -0.301 -10.747 1020 2HB GLU 129 HB1 GLU 129 -8.004 -1.059 -9.570 1021 1HG GLU 129 HG2 GLU 129 -8.825 -3.213 -10.169 1022 2HG GLU 129 HG1 GLU 129 -9.975 -2.509 -11.294 1023 H ASP 130 HN ASP 130 -12.026 -2.530 -9.580 1024 HA ASP 130 HA ASP 130 -13.609 -0.781 -11.195 1025 1HB ASP 130 HB2 ASP 130 -13.678 -3.267 -11.346 1026 2HB ASP 130 HB1 ASP 130 -14.377 -3.314 -9.747 1027 H VAL 131 HN VAL 131 -13.917 -2.003 -7.922 1028 HA VAL 131 HA VAL 131 -16.145 -0.315 -7.373 1029 HB VAL 131 HB VAL 131 -15.898 -2.416 -6.076 1030 1HG1 VAL 131 1HG1 VAL 131 -13.521 -2.526 -5.976 1031 2HG1 VAL 131 3HG1 VAL 131 -13.485 -1.178 -4.842 1032 3HG1 VAL 131 2HG1 VAL 131 -14.247 -2.706 -4.377 1033 1HG2 VAL 131 2HG2 VAL 131 -17.165 -0.629 -5.032 1034 2HG2 VAL 131 1HG2 VAL 131 -16.276 -1.588 -3.832 1035 3HG2 VAL 131 3HG2 VAL 131 -15.672 -0.004 -4.312 1036 H ILE 132 HN ILE 132 -12.682 -0.043 -6.870 1037 HA ILE 132 HA ILE 132 -12.802 2.319 -5.371 1038 HB ILE 132 HB ILE 132 -10.672 0.725 -6.614 1039 1HG1 ILE 132 2HG1 ILE 132 -9.500 1.212 -4.502 1040 2HG1 ILE 132 1HG1 ILE 132 -10.759 2.361 -4.078 1041 1HG2 ILE 132 2HG2 ILE 132 -10.182 2.788 -7.758 1042 2HG2 ILE 132 1HG2 ILE 132 -10.133 3.655 -6.223 1043 3HG2 ILE 132 3HG2 ILE 132 -8.923 2.411 -6.575 1044 1HD1 ILE 132 2HD1 ILE 132 -12.380 0.543 -4.027 1045 2HD1 ILE 132 1HD1 ILE 132 -11.104 -0.599 -4.442 1046 3HD1 ILE 132 3HD1 ILE 132 -11.045 0.264 -2.902 1047 H GLU 133 HN GLU 133 -12.616 1.835 -8.888 1048 HA GLU 133 HA GLU 133 -12.356 4.593 -9.425 1049 1HB GLU 133 HB2 GLU 133 -12.915 4.090 -11.740 1050 2HB GLU 133 HB1 GLU 133 -11.842 2.849 -11.119 1051 1HG GLU 133 HG2 GLU 133 -13.646 1.334 -10.893 1052 2HG GLU 133 HG1 GLU 133 -14.799 2.592 -11.354 1053 H HIS 134 HN HIS 134 -14.989 2.610 -8.596 1054 HA HIS 134 HA HIS 134 -17.083 4.412 -9.382 1055 1HB HIS 134 HB2 HIS 134 -17.062 1.812 -8.913 1056 2HB HIS 134 HB1 HIS 134 -17.358 2.314 -7.258 1057 HD1 HIS 134 HD1 HIS 134 -19.216 0.886 -9.671 1058 HD2 HIS 134 HD2 HIS 134 -19.677 4.533 -7.729 1059 HE1 HIS 134 HE1 HIS 134 -21.656 1.475 -9.858 1060 H MET 135 HN MET 135 -15.331 3.622 -6.508 1061 HA MET 135 HA MET 135 -16.590 5.327 -4.608 1062 1HB MET 135 HB2 MET 135 -13.707 4.437 -4.674 1063 2HB MET 135 HB1 MET 135 -14.494 5.192 -3.307 1064 1HG MET 135 HG2 MET 135 -15.203 2.502 -4.474 1065 2HG MET 135 HG1 MET 135 -14.192 2.753 -3.064 1066 1HE MET 135 HE3 MET 135 -17.692 2.109 -4.389 1067 2HE MET 135 HE2 MET 135 -18.771 2.887 -3.248 1068 3HE MET 135 HE1 MET 135 -17.866 3.866 -4.410 1069 H LYS 136 HN LYS 136 -13.790 5.876 -6.690 1070 HA LYS 136 HA LYS 136 -13.443 8.541 -5.732 1071 1HB LYS 136 HB2 LYS 136 -11.776 8.852 -7.545 1072 2HB LYS 136 HB1 LYS 136 -11.453 7.480 -6.495 1073 1HG LYS 136 HG2 LYS 136 -12.364 6.016 -8.178 1074 2HG LYS 136 HG1 LYS 136 -12.630 7.390 -9.253 1075 1HD LYS 136 HD2 LYS 136 -10.543 6.241 -9.825 1076 2HD LYS 136 HD1 LYS 136 -10.216 7.869 -9.233 1077 1HE LYS 136 HE2 LYS 136 -9.571 7.004 -7.067 1078 2HE LYS 136 HE1 LYS 136 -10.050 5.375 -7.527 1079 1HZ LYS 136 HZ1 LYS 136 -8.278 5.435 -9.218 1080 2HZ LYS 136 HZ3 LYS 136 -7.809 6.961 -8.703 1081 3HZ LYS 136 HZ2 LYS 136 -7.644 5.630 -7.683 1082 H THR 137 HN THR 137 -15.439 7.115 -7.931 1083 HA THR 137 HA THR 137 -15.992 9.252 -9.602 1084 HB THR 137 HB THR 137 -16.776 6.588 -8.933 1085 HG1 THR 137 HG1 THR 137 -15.870 6.458 -10.644 1086 1HG2 THR 137 1HG2 THR 137 -18.992 8.355 -9.909 1087 2HG2 THR 137 3HG2 THR 137 -18.958 6.552 -9.993 1088 3HG2 THR 137 2HG2 THR 137 -18.773 7.351 -8.433 1089 H TYR 138 HN TYR 138 -16.797 8.457 -6.260 1090 HA TYR 138 HA TYR 138 -18.739 10.595 -6.173 1091 1HB TYR 138 HB2 TYR 138 -17.746 8.676 -4.023 1092 2HB TYR 138 HB1 TYR 138 -18.995 9.888 -3.761 1093 HD1 TYR 138 HD1 TYR 138 -21.026 9.747 -5.374 1094 HD2 TYR 138 HD2 TYR 138 -18.394 6.494 -4.632 1095 HE1 TYR 138 HE1 TYR 138 -22.712 8.158 -6.258 1096 HE2 TYR 138 HE2 TYR 138 -20.023 4.957 -5.550 1097 HH TYR 138 HH TYR 138 -22.646 5.991 -7.336 1098 H SER 139 HN SER 139 -15.751 9.558 -4.526 1099 HA SER 139 HA SER 139 -14.122 10.594 -3.409 1100 1HB SER 139 HB2 SER 139 -12.981 12.414 -4.653 1101 2HB SER 139 HB1 SER 139 -13.314 10.995 -5.634 1102 HG SER 139 HG SER 139 -15.389 12.404 -6.016 1103 H GLY 140 HN GLY 140 -16.931 11.543 -2.772 1104 1HA GLY 140 HA1 GLY 140 -16.558 14.212 -1.935 1105 2HA GLY 140 HA2 GLY 140 -16.797 12.954 -0.698 No H/Q in entry = 1105 Start of MODEL 13 1 H1 ALA 1 HT3 ALA 1 34.704 6.944 -9.210 2 H2 ALA 1 HT2 ALA 1 34.459 8.521 -9.778 3 H3 ALA 1 HT1 ALA 1 35.500 8.215 -8.486 4 HA ALA 1 HA ALA 1 33.525 9.096 -7.602 5 1HB ALA 1 HB1 ALA 1 32.136 6.765 -8.913 6 2HB ALA 1 HB2 ALA 1 32.024 8.442 -9.440 7 3HB ALA 1 HB3 ALA 1 31.389 7.967 -7.866 8 H GLU 2 HN GLU 2 33.549 5.495 -7.893 9 HA GLU 2 HA GLU 2 34.804 5.298 -5.344 10 1HB GLU 2 HB2 GLU 2 33.032 3.947 -4.324 11 2HB GLU 2 HB1 GLU 2 32.461 5.576 -4.654 12 1HG GLU 2 HG2 GLU 2 31.196 4.825 -6.521 13 2HG GLU 2 HG1 GLU 2 31.937 3.225 -6.450 14 H VAL 3 HN VAL 3 34.986 2.917 -4.808 15 HA VAL 3 HA VAL 3 35.052 1.171 -7.154 16 HB VAL 3 HB VAL 3 37.213 0.279 -6.397 17 1HG1 VAL 3 3HG1 VAL 3 37.330 3.248 -6.877 18 2HG1 VAL 3 2HG1 VAL 3 38.690 2.139 -7.054 19 3HG1 VAL 3 1HG1 VAL 3 37.284 1.993 -8.113 20 1HG2 VAL 3 3HG2 VAL 3 37.075 0.835 -4.022 21 2HG2 VAL 3 2HG2 VAL 3 38.579 1.452 -4.711 22 3HG2 VAL 3 1HG2 VAL 3 37.238 2.551 -4.399 23 H GLU 4 HN GLU 4 35.427 -1.127 -6.297 24 HA GLU 4 HA GLU 4 33.500 -1.630 -4.297 25 1HB GLU 4 HB2 GLU 4 35.560 -3.368 -5.608 26 2HB GLU 4 HB1 GLU 4 34.341 -3.992 -4.497 27 1HG GLU 4 HG2 GLU 4 33.542 -4.487 -6.667 28 2HG GLU 4 HG1 GLU 4 32.655 -3.056 -6.146 29 H HIS 5 HN HIS 5 33.808 -1.531 -2.208 30 HA HIS 5 HA HIS 5 36.417 -1.132 -1.078 31 1HB HIS 5 HB2 HIS 5 33.857 -1.708 0.391 32 2HB HIS 5 HB1 HIS 5 35.325 -1.116 1.080 33 HD1 HIS 5 HD1 HIS 5 34.854 1.186 1.876 34 HD2 HIS 5 HD2 HIS 5 33.271 0.514 -1.902 35 HE1 HIS 5 HE1 HIS 5 33.799 3.367 1.156 36 H TYR 6 HN TYR 6 36.944 -2.438 0.917 37 HA TYR 6 HA TYR 6 36.938 -5.249 0.173 38 1HB TYR 6 HB2 TYR 6 38.726 -3.668 2.044 39 2HB TYR 6 HB1 TYR 6 38.974 -5.326 1.502 40 HD1 TYR 6 HD1 TYR 6 40.382 -5.698 -0.350 41 HD2 TYR 6 HD2 TYR 6 38.557 -1.903 0.139 42 HE1 TYR 6 HE1 TYR 6 41.636 -4.849 -2.305 43 HE2 TYR 6 HE2 TYR 6 39.800 -1.030 -1.793 44 HH TYR 6 HH TYR 6 41.409 -3.049 -3.963 45 H GLU 7 HN GLU 7 36.358 -2.899 2.684 46 HA GLU 7 HA GLU 7 34.928 -4.867 4.291 47 1HB GLU 7 HB2 GLU 7 35.403 -1.913 4.749 48 2HB GLU 7 HB1 GLU 7 34.725 -3.043 5.906 49 1HG GLU 7 HG2 GLU 7 36.873 -4.223 5.978 50 2HG GLU 7 HG1 GLU 7 37.533 -3.033 4.855 51 HA PRO 8 HA PRO 8 31.737 -3.402 1.574 52 1HB PRO 8 HB2 PRO 8 29.717 -4.917 2.397 53 2HB PRO 8 HB1 PRO 8 30.998 -5.533 1.381 54 1HG PRO 8 HG2 PRO 8 30.686 -5.846 4.349 55 2HG PRO 8 HG1 PRO 8 31.238 -7.036 3.155 56 1HD PRO 8 HD2 PRO 8 32.927 -5.635 4.754 57 2HD PRO 8 HD1 PRO 8 33.371 -6.204 3.132 58 H LEU 9 HN LEU 9 29.414 -2.780 1.806 59 HA LEU 9 HA LEU 9 29.444 -0.664 3.840 60 1HB LEU 9 HB2 LEU 9 29.303 -0.511 1.091 61 2HB LEU 9 HB1 LEU 9 27.629 -0.568 1.524 62 HG LEU 9 HG LEU 9 28.452 1.726 1.188 63 1HD1 LEU 9 3HD1 LEU 9 27.511 1.087 3.969 64 2HD1 LEU 9 2HD1 LEU 9 27.497 2.697 3.244 65 3HD1 LEU 9 1HD1 LEU 9 26.501 1.407 2.563 66 1HD2 LEU 9 1HD2 LEU 9 30.719 1.374 2.049 67 2HD2 LEU 9 3HD2 LEU 9 29.917 2.746 2.807 68 3HD2 LEU 9 2HD2 LEU 9 30.058 1.226 3.684 69 H GLN 10 HN GLN 10 28.175 -1.210 5.472 70 HA GLN 10 HA GLN 10 25.961 -2.945 5.194 71 1HB GLN 10 HB2 GLN 10 27.009 -1.299 7.459 72 2HB GLN 10 HB1 GLN 10 25.452 -2.100 7.592 73 1HG GLN 10 HG2 GLN 10 26.559 -4.228 7.195 74 2HG GLN 10 HG1 GLN 10 28.113 -3.412 7.085 75 1HE2 GLN 10 1HE2 GLN 10 25.576 -4.453 9.090 76 2HE2 GLN 10 2HE2 GLN 10 26.412 -4.248 10.591 77 H VAL 11 HN VAL 11 24.266 -2.346 4.154 78 HA VAL 11 HA VAL 11 23.194 0.364 4.498 79 HB VAL 11 HB VAL 11 22.425 -1.599 2.376 80 1HG1 VAL 11 3HG1 VAL 11 20.949 0.224 2.674 81 2HG1 VAL 11 2HG1 VAL 11 22.274 1.384 2.487 82 3HG1 VAL 11 1HG1 VAL 11 21.782 0.374 1.127 83 1HG2 VAL 11 2HG2 VAL 11 24.706 0.367 2.143 84 2HG2 VAL 11 1HG2 VAL 11 24.806 -1.397 2.110 85 3HG2 VAL 11 3HG2 VAL 11 23.991 -0.548 0.807 86 H HIS 12 HN HIS 12 21.366 0.372 5.705 87 HA HIS 12 HA HIS 12 19.856 -2.112 6.025 88 1HB HIS 12 HB2 HIS 12 20.492 -0.723 8.034 89 2HB HIS 12 HB1 HIS 12 19.508 0.579 7.391 90 HD1 HIS 12 HD1 HIS 12 19.342 -2.119 9.724 91 HD2 HIS 12 HD2 HIS 12 16.643 -0.358 7.111 92 HE1 HIS 12 HE1 HIS 12 17.046 -2.738 10.556 93 H VAL 13 HN VAL 13 18.422 -2.373 4.467 94 HA VAL 13 HA VAL 13 17.263 -0.005 3.218 95 HB VAL 13 HB VAL 13 16.724 -1.399 1.326 96 1HG1 VAL 13 3HG1 VAL 13 18.897 -0.315 1.411 97 2HG1 VAL 13 2HG1 VAL 13 19.565 -1.773 2.163 98 3HG1 VAL 13 1HG1 VAL 13 18.959 -1.840 0.512 99 1HG2 VAL 13 3HG2 VAL 13 16.381 -3.524 2.436 100 2HG2 VAL 13 2HG2 VAL 13 17.529 -3.684 1.105 101 3HG2 VAL 13 1HG2 VAL 13 18.113 -3.630 2.777 102 H GLN 14 HN GLN 14 15.330 0.433 3.391 103 HA GLN 14 HA GLN 14 13.491 -1.517 4.578 104 1HB GLN 14 HB2 GLN 14 13.622 0.747 5.663 105 2HB GLN 14 HB1 GLN 14 13.067 1.463 4.158 106 1HG GLN 14 HG2 GLN 14 10.988 0.128 4.344 107 2HG GLN 14 HG1 GLN 14 11.550 -0.469 5.901 108 1HE2 GLN 14 1HE2 GLN 14 10.212 2.172 4.180 109 2HE2 GLN 14 2HE2 GLN 14 9.898 3.189 5.536 110 H LEU 15 HN LEU 15 12.580 -2.669 3.039 111 HA LEU 15 HA LEU 15 12.179 -1.422 0.464 112 1HB LEU 15 HB2 LEU 15 11.861 -4.264 1.339 113 2HB LEU 15 HB1 LEU 15 11.432 -3.712 -0.257 114 HG LEU 15 HG LEU 15 13.361 -4.418 -0.810 115 1HD1 LEU 15 3HD1 LEU 15 14.405 -1.969 0.541 116 2HD1 LEU 15 2HD1 LEU 15 15.346 -2.949 -0.576 117 3HD1 LEU 15 1HD1 LEU 15 13.870 -2.154 -1.127 118 1HD2 LEU 15 3HD2 LEU 15 14.314 -4.403 2.045 119 2HD2 LEU 15 2HD2 LEU 15 13.755 -5.754 1.030 120 3HD2 LEU 15 1HD2 LEU 15 15.260 -4.956 0.648 121 H GLU 16 HN GLU 16 10.282 -0.526 0.050 122 HA GLU 16 HA GLU 16 7.930 -1.485 1.514 123 1HB GLU 16 HB2 GLU 16 8.222 0.997 -0.169 124 2HB GLU 16 HB1 GLU 16 6.851 0.570 0.832 125 1HG GLU 16 HG2 GLU 16 8.288 0.772 2.822 126 2HG GLU 16 HG1 GLU 16 9.606 1.310 1.777 127 H LYS 17 HN LYS 17 6.177 -2.161 0.372 128 HA LYS 17 HA LYS 17 6.444 -2.352 -2.552 129 1HB LYS 17 HB2 LYS 17 5.115 -4.283 -0.621 130 2HB LYS 17 HB1 LYS 17 5.023 -4.410 -2.365 131 1HG LYS 17 HG2 LYS 17 7.594 -4.549 -0.795 132 2HG LYS 17 HG1 LYS 17 6.654 -5.952 -1.299 133 1HD LYS 17 HD2 LYS 17 6.948 -5.314 -3.641 134 2HD LYS 17 HD1 LYS 17 7.855 -3.885 -3.148 135 1HE LYS 17 HE2 LYS 17 9.338 -5.692 -3.878 136 2HE LYS 17 HE1 LYS 17 9.588 -5.287 -2.186 137 1HZ LYS 17 HZ2 LYS 17 7.993 -7.623 -3.149 138 2HZ LYS 17 HZ1 LYS 17 9.572 -7.676 -2.573 139 3HZ LYS 17 HZ3 LYS 17 8.331 -7.233 -1.545 140 H VAL 18 HN VAL 18 4.954 -0.961 -3.459 141 HA VAL 18 HA VAL 18 2.901 -0.020 -1.616 142 HB VAL 18 HB VAL 18 3.484 1.246 -4.299 143 1HG1 VAL 18 2HG1 VAL 18 1.417 1.879 -3.327 144 2HG1 VAL 18 1HG1 VAL 18 2.222 2.342 -1.828 145 3HG1 VAL 18 3HG1 VAL 18 2.547 3.234 -3.314 146 1HG2 VAL 18 1HG2 VAL 18 4.843 1.901 -1.679 147 2HG2 VAL 18 3HG2 VAL 18 5.606 1.247 -3.137 148 3HG2 VAL 18 2HG2 VAL 18 4.917 2.865 -3.158 149 H TYR 19 HN TYR 19 0.961 -0.623 -1.841 150 HA TYR 19 HA TYR 19 0.168 -1.865 -4.350 151 1HB TYR 19 HB2 TYR 19 -0.829 -2.324 -1.553 152 2HB TYR 19 HB1 TYR 19 -1.375 -3.163 -2.999 153 HD1 TYR 19 HD1 TYR 19 0.472 -4.386 -4.328 154 HD2 TYR 19 HD2 TYR 19 0.849 -3.233 -0.284 155 HE1 TYR 19 HE1 TYR 19 2.178 -6.143 -4.010 156 HE2 TYR 19 HE2 TYR 19 2.550 -4.969 0.076 157 HH TYR 19 HH TYR 19 4.027 -6.631 -2.495 158 H LEU 20 HN LEU 20 -2.068 -1.566 -4.844 159 HA LEU 20 HA LEU 20 -2.795 1.174 -4.726 160 1HB LEU 20 HB2 LEU 20 -4.407 -1.195 -5.659 161 2HB LEU 20 HB1 LEU 20 -4.909 0.470 -5.822 162 HG LEU 20 HG LEU 20 -2.804 0.778 -7.192 163 1HD1 LEU 20 1HD1 LEU 20 -2.956 -2.222 -7.291 164 2HD1 LEU 20 3HD1 LEU 20 -2.007 -1.221 -8.387 165 3HD1 LEU 20 2HD1 LEU 20 -1.629 -1.247 -6.661 166 1HD2 LEU 20 1HD2 LEU 20 -5.023 0.822 -8.140 167 2HD2 LEU 20 3HD2 LEU 20 -3.914 -0.017 -9.221 168 3HD2 LEU 20 2HD2 LEU 20 -5.040 -0.942 -8.228 169 H ASP 21 HN ASP 21 -3.561 -1.573 -2.893 170 HA ASP 21 HA ASP 21 -6.172 -0.657 -2.104 171 1HB ASP 21 HB2 ASP 21 -6.411 -2.693 -0.915 172 2HB ASP 21 HB1 ASP 21 -5.741 -3.000 -2.512 173 H GLY 22 HN GLY 22 -3.140 0.058 -0.811 174 1HA GLY 22 HA1 GLY 22 -4.586 0.833 1.617 175 2HA GLY 22 HA2 GLY 22 -3.220 1.724 0.978 176 H ASP 23 HN ASP 23 -2.697 -1.555 0.770 177 HA ASP 23 HA ASP 23 -1.303 -1.480 3.323 178 1HB ASP 23 HB2 ASP 23 -2.783 -3.441 2.992 179 2HB ASP 23 HB1 ASP 23 -1.897 -3.869 1.541 180 H VAL 24 HN VAL 24 0.842 -2.428 3.326 181 HA VAL 24 HA VAL 24 2.366 -2.347 0.925 182 HB VAL 24 HB VAL 24 2.346 0.013 1.234 183 1HG1 VAL 24 1HG1 VAL 24 1.462 0.085 3.436 184 2HG1 VAL 24 3HG1 VAL 24 2.996 -0.445 4.134 185 3HG1 VAL 24 2HG1 VAL 24 2.883 1.141 3.337 186 1HG2 VAL 24 3HG2 VAL 24 4.899 -1.015 2.457 187 2HG2 VAL 24 2HG2 VAL 24 4.565 -0.800 0.739 188 3HG2 VAL 24 1HG2 VAL 24 4.667 0.605 1.799 189 H SER 25 HN SER 25 3.844 -3.849 1.102 190 HA SER 25 HA SER 25 4.341 -5.046 3.696 191 1HB SER 25 HB2 SER 25 3.932 -6.439 1.610 192 2HB SER 25 HB1 SER 25 5.457 -5.830 0.973 193 HG SER 25 HG SER 25 5.030 -7.399 3.284 194 H ILE 26 HN ILE 26 6.008 -4.592 4.931 195 HA ILE 26 HA ILE 26 8.108 -2.858 3.832 196 HB ILE 26 HB ILE 26 7.125 -3.155 6.677 197 1HG1 ILE 26 2HG1 ILE 26 5.466 -2.070 5.263 198 2HG1 ILE 26 1HG1 ILE 26 6.142 -0.926 6.428 199 1HG2 ILE 26 1HG2 ILE 26 9.464 -2.533 6.570 200 2HG2 ILE 26 3HG2 ILE 26 9.076 -1.194 5.489 201 3HG2 ILE 26 2HG2 ILE 26 8.489 -1.181 7.154 202 1HD1 ILE 26 1HD1 ILE 26 7.570 -0.039 4.640 203 2HD1 ILE 26 3HD1 ILE 26 6.806 -1.157 3.508 204 3HD1 ILE 26 2HD1 ILE 26 5.846 0.108 4.276 205 H GLU 27 HN GLU 27 9.968 -3.881 3.593 206 HA GLU 27 HA GLU 27 10.635 -6.075 5.441 207 1HB GLU 27 HB2 GLU 27 10.484 -6.877 3.183 208 2HB GLU 27 HB1 GLU 27 11.442 -5.549 2.579 209 1HG GLU 27 HG2 GLU 27 12.857 -7.412 2.557 210 2HG GLU 27 HG1 GLU 27 13.346 -6.447 3.924 211 H HIS 28 HN HIS 28 12.717 -6.080 6.272 212 HA HIS 28 HA HIS 28 14.283 -3.629 5.924 213 1HB HIS 28 HB2 HIS 28 13.554 -4.871 8.564 214 2HB HIS 28 HB1 HIS 28 14.927 -3.795 8.372 215 HD1 HIS 28 HD1 HIS 28 14.409 -1.454 8.929 216 HD2 HIS 28 HD2 HIS 28 11.150 -3.540 7.557 217 HE1 HIS 28 HE1 HIS 28 12.444 0.117 9.248 218 H LYS 29 HN LYS 29 15.958 -4.231 5.097 219 HA LYS 29 HA LYS 29 17.231 -6.752 5.960 220 1HB LYS 29 HB2 LYS 29 17.367 -5.383 3.329 221 2HB LYS 29 HB1 LYS 29 18.417 -6.698 3.768 222 1HG LYS 29 HG2 LYS 29 16.080 -7.937 4.046 223 2HG LYS 29 HG1 LYS 29 15.575 -6.650 2.943 224 1HD LYS 29 HD2 LYS 29 17.907 -8.458 2.590 225 2HD LYS 29 HD1 LYS 29 16.376 -8.601 1.682 226 1HE LYS 29 HE2 LYS 29 16.818 -6.483 0.583 227 2HE LYS 29 HE1 LYS 29 18.188 -6.155 1.631 228 1HZ LYS 29 HZ2 LYS 29 19.295 -8.088 0.612 229 2HZ LYS 29 HZ1 LYS 29 18.028 -8.217 -0.502 230 3HZ LYS 29 HZ3 LYS 29 18.992 -6.824 -0.439 231 H HIS 30 HN HIS 30 19.426 -6.725 5.952 232 HA HIS 30 HA HIS 30 20.650 -4.149 5.527 233 1HB HIS 30 HB2 HIS 30 22.359 -4.535 7.247 234 2HB HIS 30 HB1 HIS 30 20.759 -4.524 7.952 235 HD1 HIS 30 HD1 HIS 30 20.376 -6.365 9.638 236 HD2 HIS 30 HD2 HIS 30 23.426 -7.297 6.970 237 HE1 HIS 30 HE1 HIS 30 21.458 -8.458 10.516 238 H GLU 31 HN GLU 31 22.024 -4.157 3.891 239 HA GLU 31 HA GLU 31 23.270 -6.714 3.400 240 1HB GLU 31 HB2 GLU 31 23.182 -6.328 0.978 241 2HB GLU 31 HB1 GLU 31 21.591 -6.502 1.708 242 1HG GLU 31 HG2 GLU 31 21.440 -3.984 1.599 243 2HG GLU 31 HG1 GLU 31 22.913 -4.074 0.633 244 H LYS 32 HN LYS 32 25.276 -6.744 2.997 245 HA LYS 32 HA LYS 32 26.679 -4.230 3.181 246 1HB LYS 32 HB2 LYS 32 27.525 -7.057 3.624 247 2HB LYS 32 HB1 LYS 32 28.646 -5.714 3.614 248 1HG LYS 32 HG2 LYS 32 27.414 -4.721 5.435 249 2HG LYS 32 HG1 LYS 32 26.399 -6.141 5.588 250 1HD LYS 32 HD2 LYS 32 29.357 -5.826 6.061 251 2HD LYS 32 HD1 LYS 32 28.125 -6.455 7.151 252 1HE LYS 32 HE2 LYS 32 27.854 -8.391 5.587 253 2HE LYS 32 HE1 LYS 32 29.207 -7.710 4.676 254 1HZ LYS 32 HZ3 LYS 32 29.353 -8.596 7.500 255 2HZ LYS 32 HZ2 LYS 32 29.901 -9.491 6.191 256 3HZ LYS 32 HZ1 LYS 32 30.652 -8.030 6.573 257 H VAL 33 HN VAL 33 27.005 -3.456 1.380 258 HA VAL 33 HA VAL 33 27.603 -5.207 -0.863 259 HB VAL 33 HB VAL 33 25.595 -4.153 -1.411 260 1HG1 VAL 33 1HG1 VAL 33 26.679 -1.580 -0.340 261 2HG1 VAL 33 3HG1 VAL 33 25.131 -1.788 -1.180 262 3HG1 VAL 33 2HG1 VAL 33 25.412 -2.633 0.338 263 1HG2 VAL 33 1HG2 VAL 33 27.190 -3.949 -3.216 264 2HG2 VAL 33 3HG2 VAL 33 26.043 -2.611 -3.226 265 3HG2 VAL 33 2HG2 VAL 33 27.668 -2.358 -2.596 266 H PHE 34 HN PHE 34 29.402 -4.764 -2.199 267 HA PHE 34 HA PHE 34 31.457 -3.408 -0.774 268 1HB PHE 34 HB2 PHE 34 31.545 -4.759 -3.474 269 2HB PHE 34 HB1 PHE 34 32.926 -4.169 -2.569 270 HD1 PHE 34 HD1 PHE 34 33.093 -5.087 -0.109 271 HD2 PHE 34 HD2 PHE 34 30.993 -6.980 -3.281 272 HE1 PHE 34 HE1 PHE 34 33.294 -7.247 1.055 273 HE2 PHE 34 HE2 PHE 34 31.175 -9.143 -2.124 274 HZ PHE 34 HZ PHE 34 32.328 -9.277 0.050 275 H SER 35 HN SER 35 29.374 -2.586 -3.455 276 HA SER 35 HA SER 35 30.655 0.021 -3.413 277 1HB SER 35 HB2 SER 35 31.668 -1.223 -5.303 278 2HB SER 35 HB1 SER 35 30.060 -1.505 -5.964 279 HG SER 35 HG SER 35 30.815 1.139 -5.412 280 H MET 36 HN MET 36 29.187 1.535 -3.226 281 HA MET 36 HA MET 36 26.421 1.050 -3.023 282 1HB MET 36 HB2 MET 36 28.012 3.576 -3.373 283 2HB MET 36 HB1 MET 36 26.266 3.596 -3.200 284 1HG MET 36 HG2 MET 36 27.555 2.010 -1.158 285 2HG MET 36 HG1 MET 36 28.134 3.690 -1.204 286 1HE MET 36 HE1 MET 36 24.617 2.607 -2.367 287 2HE MET 36 HE3 MET 36 24.765 1.461 -1.031 288 3HE MET 36 HE2 MET 36 23.612 2.826 -0.964 289 H ASP 37 HN ASP 37 28.465 1.924 -5.548 290 HA ASP 37 HA ASP 37 26.727 2.909 -7.524 291 1HB ASP 37 HB2 ASP 37 29.169 2.949 -7.743 292 2HB ASP 37 HB1 ASP 37 29.192 1.197 -7.879 293 H ASP 38 HN ASP 38 27.667 -0.381 -6.713 294 HA ASP 38 HA ASP 38 26.177 -1.686 -8.780 295 1HB ASP 38 HB2 ASP 38 28.155 -2.754 -7.613 296 2HB ASP 38 HB1 ASP 38 27.171 -2.775 -6.165 297 H PHE 39 HN PHE 39 25.665 -0.873 -5.430 298 HA PHE 39 HA PHE 39 23.293 -2.233 -4.935 299 1HB PHE 39 HB2 PHE 39 24.669 -1.266 -3.182 300 2HB PHE 39 HB1 PHE 39 24.384 0.343 -3.811 301 HD1 PHE 39 HD1 PHE 39 22.295 1.418 -3.477 302 HD2 PHE 39 HD2 PHE 39 23.034 -2.425 -1.880 303 HE1 PHE 39 HE1 PHE 39 20.375 1.687 -1.978 304 HE2 PHE 39 HE2 PHE 39 21.097 -2.175 -0.370 305 HZ PHE 39 HZ PHE 39 19.769 -0.104 -0.439 306 H TRP 40 HN TRP 40 23.896 1.062 -6.168 307 HA TRP 40 HA TRP 40 21.180 1.785 -6.332 308 1HB TRP 40 HB2 TRP 40 23.475 2.856 -7.969 309 2HB TRP 40 HB1 TRP 40 21.891 3.608 -7.822 310 HD1 TRP 40 HD1 TRP 40 25.113 4.332 -6.723 311 HE1 TRP 40 HE1 TRP 40 25.252 5.375 -4.384 312 HE3 TRP 40 HE3 TRP 40 20.434 3.180 -5.019 313 HZ2 TRP 40 HZ2 TRP 40 23.615 5.660 -2.124 314 HZ3 TRP 40 HZ3 TRP 40 19.816 3.866 -2.767 315 HH2 TRP 40 HH2 TRP 40 21.354 5.085 -1.355 316 H ALA 41 HN ALA 41 23.323 0.227 -8.545 317 HA ALA 41 HA ALA 41 21.483 0.235 -10.749 318 1HB ALA 41 HB3 ALA 41 22.991 -1.397 -11.780 319 2HB ALA 41 HB2 ALA 41 23.909 -0.061 -11.079 320 3HB ALA 41 HB1 ALA 41 23.822 -1.609 -10.238 321 H ALA 42 HN ALA 42 22.066 -1.873 -8.079 322 HA ALA 42 HA ALA 42 20.487 -4.037 -8.963 323 1HB ALA 42 HB2 ALA 42 21.194 -3.217 -6.149 324 2HB ALA 42 HB1 ALA 42 20.590 -4.803 -6.637 325 3HB ALA 42 HB3 ALA 42 22.175 -4.242 -7.180 326 H TYR 43 HN TYR 43 19.760 -1.156 -6.989 327 HA TYR 43 HA TYR 43 16.977 -2.043 -6.887 328 1HB TYR 43 HB2 TYR 43 18.525 -0.119 -5.176 329 2HB TYR 43 HB1 TYR 43 16.782 -0.274 -5.114 330 HD1 TYR 43 HD1 TYR 43 19.938 -2.153 -4.518 331 HD2 TYR 43 HD2 TYR 43 15.732 -2.011 -3.982 332 HE1 TYR 43 HE1 TYR 43 20.065 -4.055 -2.953 333 HE2 TYR 43 HE2 TYR 43 15.847 -3.892 -2.435 334 HH TYR 43 HH TYR 43 18.781 -4.992 -1.171 335 H ALA 44 HN ALA 44 18.614 -0.413 -9.033 336 HA ALA 44 HA ALA 44 17.630 2.098 -9.190 337 1HB ALA 44 HB3 ALA 44 19.367 1.207 -10.654 338 2HB ALA 44 HB2 ALA 44 18.145 0.284 -11.533 339 3HB ALA 44 HB1 ALA 44 18.110 2.047 -11.567 340 H GLY 45 HN GLY 45 15.878 -0.805 -9.760 341 1HA GLY 45 HA1 GLY 45 13.794 -1.217 -10.726 342 2HA GLY 45 HA2 GLY 45 13.764 0.447 -11.289 343 H TRP 46 HN TRP 46 14.465 0.040 -7.925 344 HA TRP 46 HA TRP 46 11.748 0.349 -7.054 345 1HB TRP 46 HB2 TRP 46 14.392 0.640 -5.624 346 2HB TRP 46 HB1 TRP 46 12.811 0.590 -4.868 347 HD1 TRP 46 HD1 TRP 46 14.987 -1.763 -7.064 348 HE1 TRP 46 HE1 TRP 46 14.743 -4.147 -6.106 349 HE3 TRP 46 HE3 TRP 46 11.688 -0.773 -3.341 350 HZ2 TRP 46 HZ2 TRP 46 13.312 -5.423 -3.970 351 HZ3 TRP 46 HZ3 TRP 46 10.929 -2.604 -1.927 352 HH2 TRP 46 HH2 TRP 46 11.735 -4.888 -2.285 353 H THR 47 HN THR 47 11.125 2.354 -5.892 354 HA THR 47 HA THR 47 12.284 4.746 -7.000 355 HB THR 47 HB THR 47 10.021 4.273 -5.068 356 HG1 THR 47 HG1 THR 47 10.214 3.928 -7.749 357 1HG2 THR 47 1HG2 THR 47 10.887 6.523 -4.964 358 2HG2 THR 47 3HG2 THR 47 10.712 6.699 -6.718 359 3HG2 THR 47 2HG2 THR 47 9.277 6.500 -5.693 360 H LEU 48 HN LEU 48 13.967 5.688 -5.914 361 HA LEU 48 HA LEU 48 14.618 5.006 -3.209 362 1HB LEU 48 HB2 LEU 48 16.292 5.554 -5.038 363 2HB LEU 48 HB1 LEU 48 15.723 7.201 -4.991 364 HG LEU 48 HG LEU 48 17.971 6.682 -3.869 365 1HD1 LEU 48 3HD1 LEU 48 16.828 8.795 -3.442 366 2HD1 LEU 48 2HD1 LEU 48 15.945 8.037 -2.106 367 3HD1 LEU 48 1HD1 LEU 48 17.708 8.174 -2.047 368 1HD2 LEU 48 1HD2 LEU 48 16.174 5.541 -1.758 369 2HD2 LEU 48 3HD2 LEU 48 17.366 4.661 -2.725 370 3HD2 LEU 48 2HD2 LEU 48 17.885 5.903 -1.579 371 H VAL 49 HN VAL 49 13.388 5.770 -1.628 372 HA VAL 49 HA VAL 49 11.953 8.246 -2.070 373 HB VAL 49 HB VAL 49 11.707 6.218 0.202 374 1HG1 VAL 49 1HG1 VAL 49 11.175 8.487 0.955 375 2HG1 VAL 49 3HG1 VAL 49 10.022 8.646 -0.372 376 3HG1 VAL 49 2HG1 VAL 49 9.754 7.443 0.891 377 1HG2 VAL 49 1HG2 VAL 49 10.926 5.432 -1.952 378 2HG2 VAL 49 3HG2 VAL 49 9.585 5.692 -0.837 379 3HG2 VAL 49 2HG2 VAL 49 9.907 6.864 -2.115 380 H GLU 50 HN GLU 50 14.277 6.847 0.231 381 HA GLU 50 HA GLU 50 15.486 9.422 0.451 382 1HB GLU 50 HB2 GLU 50 15.324 9.644 2.880 383 2HB GLU 50 HB1 GLU 50 13.707 9.623 2.189 384 1HG GLU 50 HG2 GLU 50 13.372 7.424 2.879 385 2HG GLU 50 HG1 GLU 50 15.057 7.217 3.340 386 H GLN 51 HN GLN 51 17.523 9.232 1.413 387 HA GLN 51 HA GLN 51 18.214 6.668 2.498 388 1HB GLN 51 HB2 GLN 51 20.351 6.665 1.292 389 2HB GLN 51 HB1 GLN 51 18.952 6.550 0.231 390 1HG GLN 51 HG2 GLN 51 19.215 8.824 -0.455 391 2HG GLN 51 HG1 GLN 51 20.511 9.078 0.717 392 1HE2 GLN 51 1HE2 GLN 51 19.591 7.559 -2.216 393 2HE2 GLN 51 2HE2 GLN 51 21.189 7.069 -2.717 394 H LYS 52 HN LYS 52 19.852 6.757 3.960 395 HA LYS 52 HA LYS 52 21.092 9.252 4.516 396 1HB LYS 52 HB2 LYS 52 20.642 8.767 7.048 397 2HB LYS 52 HB1 LYS 52 19.448 9.651 6.117 398 1HG LYS 52 HG2 LYS 52 18.082 7.626 5.973 399 2HG LYS 52 HG1 LYS 52 19.343 6.723 6.829 400 1HD LYS 52 HD2 LYS 52 19.053 8.020 8.807 401 2HD LYS 52 HD1 LYS 52 17.983 9.154 7.966 402 1HE LYS 52 HE2 LYS 52 17.266 6.264 8.286 403 2HE LYS 52 HE1 LYS 52 16.994 7.409 9.594 404 1HZ LYS 52 HZ1 LYS 52 15.804 7.730 6.838 405 2HZ LYS 52 HZ3 LYS 52 15.041 7.106 8.198 406 3HZ LYS 52 HZ2 LYS 52 15.568 8.685 8.175 407 H LYS 53 HN LYS 53 22.850 8.907 6.115 408 HA LYS 53 HA LYS 53 24.530 6.910 5.025 409 1HB LYS 53 HB2 LYS 53 25.107 9.170 6.163 410 2HB LYS 53 HB1 LYS 53 25.016 8.265 7.660 411 1HG LYS 53 HG2 LYS 53 26.839 7.535 5.376 412 2HG LYS 53 HG1 LYS 53 27.314 8.555 6.732 413 1HD LYS 53 HD2 LYS 53 26.898 6.720 8.258 414 2HD LYS 53 HD1 LYS 53 26.329 5.720 6.925 415 1HE LYS 53 HE2 LYS 53 28.437 5.820 5.878 416 2HE LYS 53 HE1 LYS 53 29.083 6.887 7.132 417 1HZ LYS 53 HZ2 LYS 53 28.143 4.087 7.543 418 2HZ LYS 53 HZ1 LYS 53 29.746 4.600 7.518 419 3HZ LYS 53 HZ3 LYS 53 28.712 5.095 8.753 420 H GLY 54 HN GLY 54 23.768 4.898 5.198 421 1HA GLY 54 HA1 GLY 54 23.672 3.778 7.917 422 2HA GLY 54 HA2 GLY 54 24.429 2.948 6.565 423 H TYR 55 HN TYR 55 21.446 4.677 5.900 424 HA TYR 55 HA TYR 55 20.066 2.135 5.685 425 1HB TYR 55 HB2 TYR 55 19.345 2.800 7.781 426 2HB TYR 55 HB1 TYR 55 19.451 4.496 7.393 427 HD1 TYR 55 HD1 TYR 55 17.759 5.562 6.189 428 HD2 TYR 55 HD2 TYR 55 17.290 1.565 7.363 429 HE1 TYR 55 HE1 TYR 55 15.372 5.826 5.873 430 HE2 TYR 55 HE2 TYR 55 14.845 1.729 7.038 431 HH TYR 55 HH TYR 55 13.376 4.325 5.428 432 H VAL 56 HN VAL 56 18.807 2.044 3.892 433 HA VAL 56 HA VAL 56 18.286 4.526 2.440 434 HB VAL 56 HB VAL 56 19.170 1.867 1.274 435 1HG1 VAL 56 3HG1 VAL 56 18.317 4.399 -0.109 436 2HG1 VAL 56 2HG1 VAL 56 19.024 2.994 -0.908 437 3HG1 VAL 56 1HG1 VAL 56 17.452 2.869 -0.112 438 1HG2 VAL 56 1HG2 VAL 56 21.005 3.248 2.150 439 2HG2 VAL 56 3HG2 VAL 56 21.071 3.111 0.394 440 3HG2 VAL 56 2HG2 VAL 56 20.463 4.590 1.131 441 H LEU 57 HN LEU 57 16.213 4.724 1.652 442 HA LEU 57 HA LEU 57 14.433 2.492 2.174 443 1HB LEU 57 HB2 LEU 57 13.822 4.137 3.713 444 2HB LEU 57 HB1 LEU 57 14.185 5.428 2.608 445 HG LEU 57 HG LEU 57 12.155 5.140 1.450 446 1HD1 LEU 57 1HD1 LEU 57 12.003 2.771 1.427 447 2HD1 LEU 57 3HD1 LEU 57 11.483 2.767 3.132 448 3HD1 LEU 57 2HD1 LEU 57 10.524 3.593 1.863 449 1HD2 LEU 57 2HD2 LEU 57 11.613 5.001 4.397 450 2HD2 LEU 57 1HD2 LEU 57 11.952 6.457 3.470 451 3HD2 LEU 57 3HD2 LEU 57 10.479 5.550 3.162 452 H PHE 58 HN PHE 58 13.823 1.535 0.464 453 HA PHE 58 HA PHE 58 13.292 2.995 -2.049 454 1HB PHE 58 HB2 PHE 58 14.630 0.383 -1.524 455 2HB PHE 58 HB1 PHE 58 13.638 0.523 -2.957 456 HD1 PHE 58 HD1 PHE 58 14.198 2.389 -4.567 457 HD2 PHE 58 HD2 PHE 58 16.841 1.052 -1.551 458 HE1 PHE 58 HE1 PHE 58 16.084 3.318 -5.836 459 HE2 PHE 58 HE2 PHE 58 18.739 1.970 -2.819 460 HZ PHE 58 HZ PHE 58 18.358 3.105 -4.964 461 H ARG 59 HN ARG 59 11.473 2.508 -3.121 462 HA ARG 59 HA ARG 59 9.773 0.430 -1.956 463 1HB ARG 59 HB2 ARG 59 7.764 1.774 -2.484 464 2HB ARG 59 HB1 ARG 59 8.810 2.540 -1.295 465 1HG ARG 59 HG2 ARG 59 9.637 4.061 -2.950 466 2HG ARG 59 HG1 ARG 59 8.691 3.206 -4.187 467 1HD ARG 59 HD2 ARG 59 7.725 5.326 -3.286 468 2HD ARG 59 HD1 ARG 59 6.658 3.925 -3.305 469 HE ARG 59 HE ARG 59 8.006 4.146 -0.793 470 1HH1 ARG 59 1HH1 ARG 59 5.337 5.658 -2.575 471 2HH1 ARG 59 2HH1 ARG 59 4.428 5.981 -1.174 472 1HH2 ARG 59 1HH2 ARG 59 6.823 4.559 1.017 473 2HH2 ARG 59 2HH2 ARG 59 5.298 5.366 0.983 474 H LYS 60 HN LYS 60 8.862 -0.909 -3.272 475 HA LYS 60 HA LYS 60 9.093 -0.468 -6.166 476 1HB LYS 60 HB2 LYS 60 10.628 -2.165 -5.507 477 2HB LYS 60 HB1 LYS 60 9.415 -3.009 -4.533 478 1HG LYS 60 HG2 LYS 60 9.591 -4.304 -6.439 479 2HG LYS 60 HG1 LYS 60 8.218 -3.273 -6.826 480 1HD LYS 60 HD2 LYS 60 9.667 -3.381 -8.746 481 2HD LYS 60 HD1 LYS 60 9.786 -1.766 -8.048 482 1HE LYS 60 HE2 LYS 60 11.877 -2.165 -7.128 483 2HE LYS 60 HE1 LYS 60 11.762 -3.901 -7.265 484 1HZ LYS 60 HZ3 LYS 60 11.945 -2.007 -9.554 485 2HZ LYS 60 HZ2 LYS 60 13.189 -3.038 -8.996 486 3HZ LYS 60 HZ1 LYS 60 11.798 -3.670 -9.672 487 H GLN 61 HN GLN 61 7.158 -0.465 -7.100 488 HA GLN 61 HA GLN 61 4.957 -1.540 -5.557 489 1HB GLN 61 HB2 GLN 61 3.626 0.408 -6.405 490 2HB GLN 61 HB1 GLN 61 4.943 0.747 -5.276 491 1HG GLN 61 HG2 GLN 61 6.367 1.374 -7.129 492 2HG GLN 61 HG1 GLN 61 4.965 1.173 -8.204 493 1HE2 GLN 61 1HE2 GLN 61 6.413 3.000 -5.692 494 2HE2 GLN 61 2HE2 GLN 61 5.365 4.369 -5.743 495 H MET 62 HN MET 62 3.103 -2.134 -6.808 496 HA MET 62 HA MET 62 3.818 -3.020 -9.538 497 1HB MET 62 HB2 MET 62 2.175 -4.721 -7.683 498 2HB MET 62 HB1 MET 62 3.068 -5.193 -9.107 499 1HG MET 62 HG2 MET 62 4.259 -4.491 -6.440 500 2HG MET 62 HG1 MET 62 3.973 -6.119 -7.027 501 1HE MET 62 HE2 MET 62 6.620 -5.251 -5.822 502 2HE MET 62 HE1 MET 62 6.382 -6.844 -6.521 503 3HE MET 62 HE3 MET 62 7.813 -5.896 -6.947 504 H ASP 63 HN ASP 63 1.788 -3.451 -10.771 505 HA ASP 63 HA ASP 63 -0.474 -2.113 -9.572 506 1HB ASP 63 HB2 ASP 63 -1.695 -2.398 -11.733 507 2HB ASP 63 HB1 ASP 63 -0.188 -1.540 -11.961 508 H ASP 64 HN ASP 64 -0.619 -3.482 -7.930 509 HA ASP 64 HA ASP 64 -2.453 -5.611 -8.267 510 1HB ASP 64 HB2 ASP 64 -0.269 -6.754 -8.844 511 2HB ASP 64 HB1 ASP 64 0.337 -6.298 -7.258 512 H ILE 65 HN ILE 65 -2.988 -6.407 -6.110 513 HA ILE 65 HA ILE 65 -2.567 -4.258 -4.182 514 HB ILE 65 HB ILE 65 -4.564 -5.064 -2.990 515 1HG1 ILE 65 2HG1 ILE 65 -4.783 -7.016 -5.285 516 2HG1 ILE 65 1HG1 ILE 65 -4.450 -7.412 -3.610 517 1HG2 ILE 65 3HG2 ILE 65 -5.012 -4.470 -5.903 518 2HG2 ILE 65 2HG2 ILE 65 -6.250 -4.354 -4.652 519 3HG2 ILE 65 1HG2 ILE 65 -4.835 -3.298 -4.601 520 1HD1 ILE 65 1HD1 ILE 65 -7.018 -6.219 -4.629 521 2HD1 ILE 65 3HD1 ILE 65 -6.766 -7.908 -4.192 522 3HD1 ILE 65 2HD1 ILE 65 -6.666 -6.653 -2.957 523 H SER 66 HN SER 66 -2.704 -5.147 -1.875 524 HA SER 66 HA SER 66 -0.377 -6.609 -1.509 525 1HB SER 66 HB2 SER 66 -1.117 -6.636 0.901 526 2HB SER 66 HB1 SER 66 -1.002 -5.058 0.112 527 HG SER 66 HG SER 66 -3.127 -4.830 0.228 528 HA PRO 67 HA PRO 67 -1.387 -10.830 -2.037 529 1HB PRO 67 HB2 PRO 67 0.420 -11.900 -0.228 530 2HB PRO 67 HB1 PRO 67 0.802 -11.425 -1.883 531 1HG PRO 67 HG2 PRO 67 1.235 -9.955 0.669 532 2HG PRO 67 HG1 PRO 67 2.280 -10.046 -0.760 533 1HD PRO 67 HD2 PRO 67 0.785 -7.893 -0.239 534 2HD PRO 67 HD1 PRO 67 1.063 -8.449 -1.900 535 H LEU 68 HN LEU 68 -0.906 -9.990 1.402 536 HA LEU 68 HA LEU 68 -2.391 -12.201 2.359 537 1HB LEU 68 HB2 LEU 68 -0.605 -10.692 3.542 538 2HB LEU 68 HB1 LEU 68 -1.964 -9.665 3.921 539 HG LEU 68 HG LEU 68 -1.315 -11.126 5.813 540 1HD1 LEU 68 3HD1 LEU 68 -3.692 -10.437 5.616 541 2HD1 LEU 68 2HD1 LEU 68 -3.996 -11.943 4.742 542 3HD1 LEU 68 1HD1 LEU 68 -3.478 -12.004 6.414 543 1HD2 LEU 68 3HD2 LEU 68 -0.494 -12.968 4.443 544 2HD2 LEU 68 2HD2 LEU 68 -1.613 -13.518 5.703 545 3HD2 LEU 68 1HD2 LEU 68 -2.153 -13.376 4.024 546 H SER 69 HN SER 69 -3.193 -8.860 1.636 547 HA SER 69 HA SER 69 -5.720 -8.917 2.790 548 1HB SER 69 HB2 SER 69 -4.762 -7.229 0.507 549 2HB SER 69 HB1 SER 69 -6.171 -6.918 1.517 550 HG SER 69 HG SER 69 -3.790 -6.122 1.892 551 H LYS 70 HN LYS 70 -4.624 -10.252 -0.256 552 HA LYS 70 HA LYS 70 -7.217 -10.511 -1.409 553 1HB LYS 70 HB2 LYS 70 -4.846 -12.311 -1.853 554 2HB LYS 70 HB1 LYS 70 -6.214 -12.076 -2.931 555 1HG LYS 70 HG2 LYS 70 -5.517 -9.745 -3.245 556 2HG LYS 70 HG1 LYS 70 -4.110 -10.057 -2.231 557 1HD LYS 70 HD2 LYS 70 -3.494 -11.889 -3.826 558 2HD LYS 70 HD1 LYS 70 -4.777 -11.300 -4.886 559 1HE LYS 70 HE2 LYS 70 -3.711 -9.051 -4.712 560 2HE LYS 70 HE1 LYS 70 -2.358 -9.836 -3.927 561 1HZ LYS 70 HZ3 LYS 70 -2.072 -11.257 -5.934 562 2HZ LYS 70 HZ2 LYS 70 -3.308 -10.399 -6.692 563 3HZ LYS 70 HZ1 LYS 70 -1.905 -9.609 -6.289 564 H VAL 71 HN VAL 71 -5.412 -12.340 0.988 565 HA VAL 71 HA VAL 71 -6.980 -14.725 0.694 566 HB VAL 71 HB VAL 71 -5.718 -15.717 2.392 567 1HG1 VAL 71 2HG1 VAL 71 -4.269 -15.225 0.600 568 2HG1 VAL 71 1HG1 VAL 71 -3.895 -13.644 1.295 569 3HG1 VAL 71 3HG1 VAL 71 -3.385 -15.111 2.125 570 1HG2 VAL 71 1HG2 VAL 71 -5.195 -13.004 3.581 571 2HG2 VAL 71 3HG2 VAL 71 -6.171 -14.297 4.274 572 3HG2 VAL 71 2HG2 VAL 71 -4.417 -14.487 4.152 573 H ASN 72 HN ASN 72 -6.964 -11.948 2.702 574 HA ASN 72 HA ASN 72 -9.238 -12.789 4.268 575 1HB ASN 72 HB2 ASN 72 -7.599 -11.267 5.239 576 2HB ASN 72 HB1 ASN 72 -7.898 -10.085 3.980 577 1HD2 ASN 72 1HD2 ASN 72 -9.078 -11.569 6.868 578 2HD2 ASN 72 2HD2 ASN 72 -10.372 -10.470 7.176 579 H GLY 73 HN GLY 73 -8.608 -10.391 1.768 580 1HA GLY 73 HA1 GLY 73 -10.769 -11.050 0.174 581 2HA GLY 73 HA2 GLY 73 -9.778 -9.612 0.038 582 H TYR 74 HN TYR 74 -10.374 -7.756 1.688 583 HA TYR 74 HA TYR 74 -13.232 -7.395 1.684 584 1HB TYR 74 HB2 TYR 74 -11.620 -7.932 4.142 585 2HB TYR 74 HB1 TYR 74 -12.705 -6.554 4.201 586 HD1 TYR 74 HD1 TYR 74 -14.793 -6.941 5.062 587 HD2 TYR 74 HD2 TYR 74 -12.802 -10.160 3.159 588 HE1 TYR 74 HE1 TYR 74 -16.672 -8.415 5.606 589 HE2 TYR 74 HE2 TYR 74 -14.674 -11.641 3.669 590 HH TYR 74 HH TYR 74 -17.636 -10.524 4.608 591 H ILE 75 HN ILE 75 -13.747 -5.452 1.637 592 HA ILE 75 HA ILE 75 -11.739 -3.326 1.795 593 HB ILE 75 HB ILE 75 -14.111 -3.782 0.085 594 1HG1 ILE 75 2HG1 ILE 75 -11.355 -2.853 -0.657 595 2HG1 ILE 75 1HG1 ILE 75 -11.955 -4.507 -0.663 596 1HG2 ILE 75 1HG2 ILE 75 -14.388 -1.409 0.934 597 2HG2 ILE 75 3HG2 ILE 75 -12.749 -1.012 0.432 598 3HG2 ILE 75 2HG2 ILE 75 -13.969 -1.342 -0.771 599 1HD1 ILE 75 2HD1 ILE 75 -12.979 -2.242 -2.385 600 2HD1 ILE 75 1HD1 ILE 75 -11.907 -3.533 -2.926 601 3HD1 ILE 75 3HD1 ILE 75 -13.559 -3.898 -2.430 602 H GLY 76 HN GLY 76 -12.500 -1.507 3.005 603 1HA GLY 76 HA1 GLY 76 -13.145 -1.792 5.386 604 2HA GLY 76 HA2 GLY 76 -14.685 -2.326 4.723 605 H VAL 77 HN VAL 77 -16.150 -0.890 4.103 606 HA VAL 77 HA VAL 77 -15.311 1.863 4.382 607 HB VAL 77 HB VAL 77 -17.705 0.784 2.942 608 1HG1 VAL 77 2HG1 VAL 77 -16.752 3.638 3.177 609 2HG1 VAL 77 1HG1 VAL 77 -18.056 3.093 2.123 610 3HG1 VAL 77 3HG1 VAL 77 -18.223 2.965 3.875 611 1HG2 VAL 77 1HG2 VAL 77 -15.142 1.959 1.912 612 2HG2 VAL 77 3HG2 VAL 77 -15.727 0.309 1.687 613 3HG2 VAL 77 2HG2 VAL 77 -16.552 1.663 0.907 614 H SER 78 HN SER 78 -16.062 2.986 5.903 615 HA SER 78 HA SER 78 -17.835 1.630 7.765 616 1HB SER 78 HB2 SER 78 -16.015 4.003 8.190 617 2HB SER 78 HB1 SER 78 -16.967 3.165 9.415 618 HG SER 78 HG SER 78 -15.167 1.725 7.825 619 H ASP 79 HN ASP 79 -19.274 3.225 9.005 620 HA ASP 79 HA ASP 79 -21.288 4.040 7.419 621 1HB ASP 79 HB2 ASP 79 -20.547 4.847 10.211 622 2HB ASP 79 HB1 ASP 79 -22.096 5.205 9.462 623 H ASN 80 HN ASN 80 -18.556 6.009 8.409 624 HA ASN 80 HA ASN 80 -19.842 8.402 7.383 625 1HB ASN 80 HB2 ASN 80 -17.136 7.934 8.613 626 2HB ASN 80 HB1 ASN 80 -17.588 9.483 7.913 627 1HD2 ASN 80 1HD2 ASN 80 -18.008 7.303 10.534 628 2HD2 ASN 80 2HD2 ASN 80 -18.952 8.307 11.543 629 H GLY 81 HN GLY 81 -18.895 5.978 5.733 630 1HA GLY 81 HA1 GLY 81 -18.276 7.467 3.392 631 2HA GLY 81 HA2 GLY 81 -18.447 5.722 3.534 632 H VAL 82 HN VAL 82 -16.600 5.515 5.633 633 HA VAL 82 HA VAL 82 -14.076 6.564 4.771 634 HB VAL 82 HB VAL 82 -14.495 4.230 6.653 635 1HG1 VAL 82 1HG1 VAL 82 -12.203 4.582 5.941 636 2HG1 VAL 82 3HG1 VAL 82 -12.293 6.273 6.437 637 3HG1 VAL 82 2HG1 VAL 82 -12.391 4.991 7.649 638 1HG2 VAL 82 3HG2 VAL 82 -15.890 6.162 7.289 639 2HG2 VAL 82 2HG2 VAL 82 -14.638 5.805 8.493 640 3HG2 VAL 82 1HG2 VAL 82 -14.445 7.154 7.366 641 H ILE 83 HN ILE 83 -13.166 5.892 3.050 642 HA ILE 83 HA ILE 83 -13.832 3.385 1.786 643 HB ILE 83 HB ILE 83 -12.056 5.510 0.523 644 1HG1 ILE 83 2HG1 ILE 83 -14.213 6.482 1.086 645 2HG1 ILE 83 1HG1 ILE 83 -14.144 6.193 -0.651 646 1HG2 ILE 83 2HG2 ILE 83 -13.660 3.177 -0.634 647 2HG2 ILE 83 1HG2 ILE 83 -12.778 4.372 -1.606 648 3HG2 ILE 83 3HG2 ILE 83 -11.929 3.253 -0.535 649 1HD1 ILE 83 1HD1 ILE 83 -15.501 4.452 1.382 650 2HD1 ILE 83 3HD1 ILE 83 -16.311 5.571 0.283 651 3HD1 ILE 83 2HD1 ILE 83 -15.459 4.158 -0.359 652 H SER 84 HN SER 84 -12.566 2.728 3.861 653 HA SER 84 HA SER 84 -9.697 2.578 3.271 654 1HB SER 84 HB2 SER 84 -9.817 1.645 5.676 655 2HB SER 84 HB1 SER 84 -10.084 3.365 5.424 656 HG SER 84 HG SER 84 -12.288 1.610 5.378 657 H THR 85 HN THR 85 -8.682 0.431 3.740 658 HA THR 85 HA THR 85 -10.569 -1.699 3.253 659 HB THR 85 HB THR 85 -8.559 -3.066 2.573 660 HG1 THR 85 HG1 THR 85 -6.912 -1.109 1.892 661 1HG2 THR 85 1HG2 THR 85 -9.061 -0.547 0.978 662 2HG2 THR 85 3HG2 THR 85 -8.313 -2.022 0.362 663 3HG2 THR 85 2HG2 THR 85 -9.997 -2.034 0.891 664 H PHE 86 HN PHE 86 -10.576 -3.477 4.575 665 HA PHE 86 HA PHE 86 -9.096 -3.146 7.045 666 1HB PHE 86 HB2 PHE 86 -12.028 -3.723 6.674 667 2HB PHE 86 HB1 PHE 86 -11.186 -4.298 8.092 668 HD1 PHE 86 HD1 PHE 86 -11.273 -1.076 6.245 669 HD2 PHE 86 HD2 PHE 86 -11.737 -3.116 9.912 670 HE1 PHE 86 HE1 PHE 86 -11.856 1.062 7.364 671 HE2 PHE 86 HE2 PHE 86 -12.292 -1.010 11.052 672 HZ PHE 86 HZ PHE 86 -12.359 1.085 9.772 673 H HIS 87 HN HIS 87 -8.882 -5.196 8.154 674 HA HIS 87 HA HIS 87 -9.111 -7.480 6.392 675 1HB HIS 87 HB2 HIS 87 -7.779 -8.619 8.329 676 2HB HIS 87 HB1 HIS 87 -6.926 -7.483 7.301 677 HD1 HIS 87 HD1 HIS 87 -5.702 -5.595 8.508 678 HD2 HIS 87 HD2 HIS 87 -8.489 -7.497 10.934 679 HE1 HIS 87 HE1 HIS 87 -5.411 -4.622 10.797 680 H GLY 88 HN GLY 88 -11.079 -8.192 6.435 681 1HA GLY 88 HA1 GLY 88 -12.321 -8.915 8.983 682 2HA GLY 88 HA2 GLY 88 -12.859 -9.408 7.376 683 H ARG 89 HN ARG 89 -14.701 -8.533 9.123 684 HA ARG 89 HA ARG 89 -16.238 -6.679 7.870 685 1HB ARG 89 HB2 ARG 89 -16.107 -7.221 10.826 686 2HB ARG 89 HB1 ARG 89 -17.389 -6.317 10.048 687 1HG ARG 89 HG2 ARG 89 -16.719 -9.155 9.315 688 2HG ARG 89 HG1 ARG 89 -17.867 -8.725 10.582 689 1HD ARG 89 HD2 ARG 89 -19.295 -7.595 8.951 690 2HD ARG 89 HD1 ARG 89 -18.103 -7.859 7.685 691 HE ARG 89 HE ARG 89 -18.526 -10.177 7.804 692 1HH1 ARG 89 1HH1 ARG 89 -20.965 -8.227 9.564 693 2HH1 ARG 89 2HH1 ARG 89 -22.117 -9.467 9.558 694 1HH2 ARG 89 1HH2 ARG 89 -20.128 -11.801 7.782 695 2HH2 ARG 89 2HH2 ARG 89 -21.651 -11.565 8.508 696 HA PRO 90 HA PRO 90 -14.288 -2.755 8.846 697 1HB PRO 90 HB2 PRO 90 -16.151 -1.239 7.504 698 2HB PRO 90 HB1 PRO 90 -14.731 -1.988 6.776 699 1HG PRO 90 HG2 PRO 90 -17.539 -2.703 6.449 700 2HG PRO 90 HG1 PRO 90 -16.160 -3.289 5.543 701 1HD PRO 90 HD2 PRO 90 -17.619 -4.588 7.634 702 2HD PRO 90 HD1 PRO 90 -16.300 -5.206 6.622 703 H GLU 91 HN GLU 91 -14.739 -2.695 11.017 704 HA GLU 91 HA GLU 91 -16.943 -0.968 11.732 705 1HB GLU 91 HB2 GLU 91 -17.538 -2.448 13.660 706 2HB GLU 91 HB1 GLU 91 -17.776 -3.226 12.117 707 1HG GLU 91 HG2 GLU 91 -15.709 -4.456 12.388 708 2HG GLU 91 HG1 GLU 91 -15.433 -3.636 13.932 709 HA PRO 92 HA PRO 92 -13.806 0.971 14.197 710 1HB PRO 92 HB2 PRO 92 -14.976 1.418 16.613 711 2HB PRO 92 HB1 PRO 92 -15.298 2.411 15.177 712 1HG PRO 92 HG2 PRO 92 -16.913 0.232 16.411 713 2HG PRO 92 HG1 PRO 92 -17.454 1.714 15.607 714 1HD PRO 92 HD2 PRO 92 -17.467 -0.757 14.461 715 2HD PRO 92 HD1 PRO 92 -17.341 0.750 13.513 716 H ALA 93 HN ALA 93 -15.244 -1.863 15.398 717 HA ALA 93 HA ALA 93 -13.170 -2.304 17.389 718 1HB ALA 93 HB1 ALA 93 -15.451 -2.979 17.901 719 2HB ALA 93 HB2 ALA 93 -14.371 -4.380 17.899 720 3HB ALA 93 HB3 ALA 93 -15.451 -4.087 16.529 721 H SER 94 HN SER 94 -13.172 -2.344 14.241 722 HA SER 94 HA SER 94 -11.328 -4.610 14.048 723 1HB SER 94 HB2 SER 94 -13.439 -4.781 12.656 724 2HB SER 94 HB1 SER 94 -12.927 -3.294 11.856 725 HG SER 94 HG SER 94 -12.350 -4.973 10.632 726 H GLU 95 HN GLU 95 -9.590 -4.071 12.454 727 HA GLU 95 HA GLU 95 -8.723 -1.348 13.086 728 1HB GLU 95 HB2 GLU 95 -7.060 -3.770 12.412 729 2HB GLU 95 HB1 GLU 95 -6.416 -2.168 12.734 730 1HG GLU 95 HG2 GLU 95 -7.344 -2.261 15.001 731 2HG GLU 95 HG1 GLU 95 -7.957 -3.882 14.673 732 HA PRO 96 HA PRO 96 -8.888 -0.533 8.686 733 1HB PRO 96 HB2 PRO 96 -8.164 2.089 8.865 734 2HB PRO 96 HB1 PRO 96 -9.811 1.521 9.150 735 1HG PRO 96 HG2 PRO 96 -7.727 2.338 11.105 736 2HG PRO 96 HG1 PRO 96 -9.489 2.500 11.172 737 1HD PRO 96 HD2 PRO 96 -8.011 0.575 12.510 738 2HD PRO 96 HD1 PRO 96 -9.744 0.464 12.154 739 H ILE 97 HN ILE 97 -7.344 -0.772 7.252 740 HA ILE 97 HA ILE 97 -4.595 -1.028 8.038 741 HB ILE 97 HB ILE 97 -5.881 -1.106 5.291 742 1HG1 ILE 97 2HG1 ILE 97 -5.141 -3.424 7.086 743 2HG1 ILE 97 1HG1 ILE 97 -6.758 -2.739 6.979 744 1HG2 ILE 97 1HG2 ILE 97 -3.162 -2.090 6.196 745 2HG2 ILE 97 3HG2 ILE 97 -3.884 -2.405 4.619 746 3HG2 ILE 97 2HG2 ILE 97 -3.488 -0.758 5.075 747 1HD1 ILE 97 2HD1 ILE 97 -5.265 -3.951 4.658 748 2HD1 ILE 97 1HD1 ILE 97 -6.502 -4.765 5.641 749 3HD1 ILE 97 3HD1 ILE 97 -6.930 -3.345 4.698 750 H GLN 98 HN GLN 98 -6.560 1.295 6.325 751 HA GLN 98 HA GLN 98 -4.845 3.487 6.765 752 1HB GLN 98 HB2 GLN 98 -4.084 3.947 4.560 753 2HB GLN 98 HB1 GLN 98 -3.893 2.206 4.611 754 1HG GLN 98 HG2 GLN 98 -6.188 3.712 3.338 755 2HG GLN 98 HG1 GLN 98 -4.846 2.949 2.499 756 1HE2 GLN 98 1HE2 GLN 98 -4.837 0.567 4.034 757 2HE2 GLN 98 2HE2 GLN 98 -6.272 -0.321 3.615 758 H SER 99 HN SER 99 -6.120 5.328 5.242 759 HA SER 99 HA SER 99 -8.739 4.411 4.585 760 1HB SER 99 HB2 SER 99 -9.741 6.487 5.736 761 2HB SER 99 HB1 SER 99 -9.276 5.143 6.781 762 HG SER 99 HG SER 99 -7.389 6.203 7.231 763 H PHE 100 HN PHE 100 -9.390 5.223 2.686 764 HA PHE 100 HA PHE 100 -7.650 7.152 1.473 765 1HB PHE 100 HB2 PHE 100 -9.959 5.560 0.370 766 2HB PHE 100 HB1 PHE 100 -9.123 6.788 -0.576 767 HD1 PHE 100 HD1 PHE 100 -6.805 6.456 -1.251 768 HD2 PHE 100 HD2 PHE 100 -8.936 3.438 0.844 769 HE1 PHE 100 HE1 PHE 100 -5.096 4.800 -1.891 770 HE2 PHE 100 HE2 PHE 100 -7.232 1.786 0.210 771 HZ PHE 100 HZ PHE 100 -5.315 2.464 -1.161 772 H PHE 101 HN PHE 101 -11.248 7.077 1.578 773 HA PHE 101 HA PHE 101 -11.129 9.968 2.160 774 1HB PHE 101 HB2 PHE 101 -13.070 8.712 0.208 775 2HB PHE 101 HB1 PHE 101 -12.974 10.405 0.646 776 HD1 PHE 101 HD1 PHE 101 -12.315 8.129 -1.741 777 HD2 PHE 101 HD2 PHE 101 -10.546 11.386 0.239 778 HE1 PHE 101 HE1 PHE 101 -10.772 8.444 -3.681 779 HE2 PHE 101 HE2 PHE 101 -9.002 11.764 -1.674 780 HZ PHE 101 HZ PHE 101 -9.126 10.272 -3.640 781 H GLN 102 HN GLN 102 -13.344 10.702 2.669 782 HA GLN 102 HA GLN 102 -15.060 8.630 3.773 783 1HB GLN 102 HB2 GLN 102 -14.277 11.251 4.998 784 2HB GLN 102 HB1 GLN 102 -15.881 10.593 5.307 785 1HG GLN 102 HG2 GLN 102 -14.975 8.615 6.178 786 2HG GLN 102 HG1 GLN 102 -13.323 9.074 5.836 787 1HE2 GLN 102 1HE2 GLN 102 -15.858 11.179 7.104 788 2HE2 GLN 102 2HE2 GLN 102 -15.164 11.364 8.668 789 H ILE 103 HN ILE 103 -16.865 8.560 2.827 790 HA ILE 103 HA ILE 103 -17.657 10.861 1.176 791 HB ILE 103 HB ILE 103 -18.291 9.421 -0.667 792 1HG1 ILE 103 2HG1 ILE 103 -17.568 7.049 1.078 793 2HG1 ILE 103 1HG1 ILE 103 -19.213 7.575 0.752 794 1HG2 ILE 103 2HG2 ILE 103 -15.901 9.937 -0.495 795 2HG2 ILE 103 1HG2 ILE 103 -15.608 8.455 0.382 796 3HG2 ILE 103 3HG2 ILE 103 -16.145 8.400 -1.298 797 1HD1 ILE 103 1HD1 ILE 103 -17.236 6.659 -1.318 798 2HD1 ILE 103 3HD1 ILE 103 -18.569 5.699 -0.662 799 3HD1 ILE 103 2HD1 ILE 103 -18.906 7.158 -1.599 800 H ASP 104 HN ASP 104 -19.965 11.043 0.693 801 HA ASP 104 HA ASP 104 -21.549 10.445 2.947 802 1HB ASP 104 HB2 ASP 104 -21.983 11.849 0.358 803 2HB ASP 104 HB1 ASP 104 -23.397 11.267 1.233 804 H LEU 105 HN LEU 105 -22.158 8.450 3.321 805 HA LEU 105 HA LEU 105 -22.563 6.605 1.235 806 1HB LEU 105 HB2 LEU 105 -23.353 6.455 4.113 807 2HB LEU 105 HB1 LEU 105 -23.660 5.172 2.971 808 HG LEU 105 HG LEU 105 -21.052 6.110 4.098 809 1HD1 LEU 105 3HD1 LEU 105 -22.449 3.478 3.848 810 2HD1 LEU 105 2HD1 LEU 105 -20.840 3.693 4.542 811 3HD1 LEU 105 1HD1 LEU 105 -22.257 4.437 5.313 812 1HD2 LEU 105 2HD2 LEU 105 -21.427 4.394 1.631 813 2HD2 LEU 105 1HD2 LEU 105 -20.634 5.961 1.698 814 3HD2 LEU 105 3HD2 LEU 105 -19.911 4.571 2.506 815 H GLU 106 HN GLU 106 -24.599 8.751 2.904 816 HA GLU 106 HA GLU 106 -27.054 7.743 1.950 817 1HB GLU 106 HB2 GLU 106 -27.894 10.038 2.535 818 2HB GLU 106 HB1 GLU 106 -27.075 9.176 3.834 819 1HG GLU 106 HG2 GLU 106 -25.065 10.432 3.443 820 2HG GLU 106 HG1 GLU 106 -25.805 11.294 2.110 821 H ARG 107 HN ARG 107 -24.502 9.421 0.350 822 HA ARG 107 HA ARG 107 -26.294 10.297 -1.749 823 1HB ARG 107 HB2 ARG 107 -24.714 11.839 -2.363 824 2HB ARG 107 HB1 ARG 107 -24.187 11.544 -0.720 825 1HG ARG 107 HG2 ARG 107 -22.471 10.083 -1.433 826 2HG ARG 107 HG1 ARG 107 -23.051 10.174 -3.101 827 1HD ARG 107 HD2 ARG 107 -21.685 12.409 -1.511 828 2HD ARG 107 HD1 ARG 107 -21.175 11.627 -2.965 829 HE ARG 107 HE ARG 107 -23.635 12.639 -3.569 830 1HH1 ARG 107 1HH1 ARG 107 -20.595 14.144 -2.452 831 2HH1 ARG 107 2HH1 ARG 107 -20.741 15.460 -3.497 832 1HH2 ARG 107 1HH2 ARG 107 -23.794 14.507 -4.990 833 2HH2 ARG 107 2HH2 ARG 107 -22.559 15.686 -4.972 834 H LEU 108 HN LEU 108 -24.300 7.691 -0.922 835 HA LEU 108 HA LEU 108 -23.933 6.454 -3.478 836 1HB LEU 108 HB2 LEU 108 -24.142 5.425 -0.686 837 2HB LEU 108 HB1 LEU 108 -24.494 4.281 -1.951 838 HG LEU 108 HG LEU 108 -22.185 4.014 -1.235 839 1HD1 LEU 108 1HD1 LEU 108 -22.662 3.540 -3.419 840 2HD1 LEU 108 3HD1 LEU 108 -22.308 5.200 -3.909 841 3HD1 LEU 108 2HD1 LEU 108 -21.032 4.187 -3.208 842 1HD2 LEU 108 3HD2 LEU 108 -22.006 6.941 -1.761 843 2HD2 LEU 108 2HD2 LEU 108 -21.768 5.970 -0.284 844 3HD2 LEU 108 1HD2 LEU 108 -20.604 5.832 -1.587 845 H GLU 109 HN GLU 109 -25.296 4.884 -4.560 846 HA GLU 109 HA GLU 109 -28.040 5.084 -3.615 847 1HB GLU 109 HB2 GLU 109 -28.802 4.740 -5.949 848 2HB GLU 109 HB1 GLU 109 -27.922 6.238 -5.719 849 1HG GLU 109 HG2 GLU 109 -25.992 5.332 -6.791 850 2HG GLU 109 HG1 GLU 109 -26.722 3.727 -6.857 851 H SER 110 HN SER 110 -29.120 3.374 -3.197 852 HA SER 110 HA SER 110 -29.819 1.273 -3.002 853 1HB SER 110 HB2 SER 110 -29.444 1.096 -5.481 854 2HB SER 110 HB1 SER 110 -27.796 0.580 -5.161 855 HG SER 110 HG SER 110 -29.129 -1.159 -5.571 856 H HIS 111 HN HIS 111 -28.363 -1.076 -3.074 857 HA HIS 111 HA HIS 111 -27.378 -1.136 -0.437 858 1HB HIS 111 HB2 HIS 111 -26.888 -3.533 -0.816 859 2HB HIS 111 HB1 HIS 111 -28.517 -3.075 -1.290 860 HD1 HIS 111 HD1 HIS 111 -25.218 -4.179 -2.749 861 HD2 HIS 111 HD2 HIS 111 -29.111 -3.389 -3.963 862 HE1 HIS 111 HE1 HIS 111 -25.415 -5.052 -5.105 863 H MET 112 HN MET 112 -25.709 -0.144 -3.073 864 HA MET 112 HA MET 112 -23.182 -1.200 -3.111 865 1HB MET 112 HB2 MET 112 -24.161 1.614 -3.387 866 2HB MET 112 HB1 MET 112 -22.441 1.289 -3.438 867 1HG MET 112 HG2 MET 112 -24.407 -0.092 -5.239 868 2HG MET 112 HG1 MET 112 -23.671 1.457 -5.651 869 1HE MET 112 HE2 MET 112 -21.113 1.842 -5.929 870 2HE MET 112 HE1 MET 112 -20.692 1.093 -4.406 871 3HE MET 112 HE3 MET 112 -19.871 0.595 -5.884 872 H GLN 113 HN GLN 113 -24.121 1.526 -0.982 873 HA GLN 113 HA GLN 113 -21.681 1.584 0.391 874 1HB GLN 113 HB2 GLN 113 -22.936 2.886 2.127 875 2HB GLN 113 HB1 GLN 113 -23.034 3.565 0.504 876 1HG GLN 113 HG2 GLN 113 -25.181 3.265 0.384 877 2HG GLN 113 HG1 GLN 113 -25.045 1.661 1.179 878 1HE2 GLN 113 1HE2 GLN 113 -25.739 5.003 1.630 879 2HE2 GLN 113 2HE2 GLN 113 -26.138 4.909 3.295 880 H LYS 114 HN LYS 114 -24.670 -0.177 1.024 881 HA LYS 114 HA LYS 114 -24.092 -1.032 3.641 882 1HB LYS 114 HB2 LYS 114 -25.826 -2.289 1.515 883 2HB LYS 114 HB1 LYS 114 -25.891 -2.662 3.227 884 1HG LYS 114 HG2 LYS 114 -26.445 0.045 2.070 885 2HG LYS 114 HG1 LYS 114 -27.688 -1.151 2.386 886 1HD LYS 114 HD2 LYS 114 -27.024 -1.125 4.789 887 2HD LYS 114 HD1 LYS 114 -25.829 0.119 4.409 888 1HE LYS 114 HE2 LYS 114 -27.637 1.577 3.612 889 2HE LYS 114 HE1 LYS 114 -28.816 0.354 4.081 890 1HZ LYS 114 HZ2 LYS 114 -26.952 1.770 5.911 891 2HZ LYS 114 HZ1 LYS 114 -28.595 2.075 5.746 892 3HZ LYS 114 HZ3 LYS 114 -28.071 0.604 6.379 893 H ASN 115 HN ASN 115 -23.441 -2.373 0.450 894 HA ASN 115 HA ASN 115 -22.482 -4.914 1.253 895 1HB ASN 115 HB2 ASN 115 -21.950 -3.256 -1.216 896 2HB ASN 115 HB1 ASN 115 -21.247 -4.848 -0.977 897 1HD2 ASN 115 1HD2 ASN 115 -22.304 -5.611 -2.789 898 2HD2 ASN 115 2HD2 ASN 115 -23.972 -5.999 -2.796 899 H LEU 116 HN LEU 116 -21.019 -1.810 0.931 900 HA LEU 116 HA LEU 116 -18.350 -2.704 1.371 901 1HB LEU 116 HB2 LEU 116 -19.445 0.056 1.873 902 2HB LEU 116 HB1 LEU 116 -17.793 -0.465 1.526 903 HG LEU 116 HG LEU 116 -19.981 -0.732 -0.549 904 1HD1 LEU 116 3HD1 LEU 116 -19.765 1.604 0.253 905 2HD1 LEU 116 2HD1 LEU 116 -18.085 1.540 -0.284 906 3HD1 LEU 116 1HD1 LEU 116 -19.379 1.318 -1.445 907 1HD2 LEU 116 1HD2 LEU 116 -17.892 -2.040 -0.806 908 2HD2 LEU 116 3HD2 LEU 116 -18.111 -0.816 -2.053 909 3HD2 LEU 116 2HD2 LEU 116 -16.979 -0.531 -0.732 910 H LEU 117 HN LEU 117 -21.039 -1.728 3.416 911 HA LEU 117 HA LEU 117 -19.650 -1.312 5.852 912 1HB LEU 117 HB2 LEU 117 -22.495 -2.232 5.504 913 2HB LEU 117 HB1 LEU 117 -21.812 -1.521 6.946 914 HG LEU 117 HG LEU 117 -22.347 -0.165 4.321 915 1HD1 LEU 117 3HD1 LEU 117 -24.308 -0.545 5.739 916 2HD1 LEU 117 2HD1 LEU 117 -23.490 0.284 7.059 917 3HD1 LEU 117 1HD1 LEU 117 -23.911 1.172 5.600 918 1HD2 LEU 117 1HD2 LEU 117 -21.057 0.939 6.798 919 2HD2 LEU 117 3HD2 LEU 117 -20.313 0.687 5.206 920 3HD2 LEU 117 2HD2 LEU 117 -21.623 1.860 5.391 921 H LYS 118 HN LYS 118 -21.061 -4.171 4.389 922 HA LYS 118 HA LYS 118 -20.388 -5.899 6.650 923 1HB LYS 118 HB2 LYS 118 -20.880 -6.710 3.786 924 2HB LYS 118 HB1 LYS 118 -20.863 -7.782 5.171 925 1HG LYS 118 HG2 LYS 118 -23.007 -7.517 5.388 926 2HG LYS 118 HG1 LYS 118 -22.748 -5.774 5.656 927 1HD LYS 118 HD2 LYS 118 -24.267 -6.014 3.790 928 2HD LYS 118 HD1 LYS 118 -22.711 -5.471 3.204 929 1HE LYS 118 HE2 LYS 118 -23.414 -7.160 1.670 930 2HE LYS 118 HE1 LYS 118 -22.156 -7.863 2.685 931 1HZ LYS 118 HZ3 LYS 118 -23.914 -8.966 3.997 932 2HZ LYS 118 HZ2 LYS 118 -25.070 -8.289 2.978 933 3HZ LYS 118 HZ1 LYS 118 -23.989 -9.391 2.366 934 H GLY 119 HN GLY 119 -19.161 -4.901 3.653 935 1HA GLY 119 HA1 GLY 119 -16.573 -6.126 4.270 936 2HA GLY 119 HA2 GLY 119 -16.809 -4.694 3.261 937 H ILE 120 HN ILE 120 -15.938 -5.502 1.450 938 HA ILE 120 HA ILE 120 -17.595 -7.252 -0.123 939 HB ILE 120 HB ILE 120 -14.801 -6.201 -0.781 940 1HG1 ILE 120 2HG1 ILE 120 -16.129 -4.288 -0.304 941 2HG1 ILE 120 1HG1 ILE 120 -16.094 -4.429 -2.061 942 1HG2 ILE 120 1HG2 ILE 120 -15.551 -8.021 -2.248 943 2HG2 ILE 120 3HG2 ILE 120 -17.030 -7.125 -2.598 944 3HG2 ILE 120 2HG2 ILE 120 -15.471 -6.489 -3.117 945 1HD1 ILE 120 3HD1 ILE 120 -18.300 -5.591 -1.901 946 2HD1 ILE 120 2HD1 ILE 120 -18.245 -5.208 -0.177 947 3HD1 ILE 120 1HD1 ILE 120 -18.344 -3.892 -1.347 948 HA PRO 121 HA PRO 121 -15.721 -10.848 1.588 949 1HB PRO 121 HB2 PRO 121 -16.827 -12.763 0.101 950 2HB PRO 121 HB1 PRO 121 -17.783 -11.769 1.206 951 1HG PRO 121 HG2 PRO 121 -17.447 -11.486 -1.761 952 2HG PRO 121 HG1 PRO 121 -18.931 -11.405 -0.795 953 1HD PRO 121 HD2 PRO 121 -17.589 -9.193 -1.656 954 2HD PRO 121 HD1 PRO 121 -18.557 -9.239 -0.168 955 H PHE 122 HN PHE 122 -14.916 -9.863 -1.472 956 HA PHE 122 HA PHE 122 -12.401 -11.152 -1.386 957 1HB PHE 122 HB2 PHE 122 -13.928 -13.027 -2.326 958 2HB PHE 122 HB1 PHE 122 -14.054 -12.034 -3.774 959 HD1 PHE 122 HD1 PHE 122 -12.180 -11.839 -5.317 960 HD2 PHE 122 HD2 PHE 122 -11.791 -14.032 -1.691 961 HE1 PHE 122 HE1 PHE 122 -10.076 -12.796 -6.131 962 HE2 PHE 122 HE2 PHE 122 -9.676 -14.991 -2.503 963 HZ PHE 122 HZ PHE 122 -8.816 -14.373 -4.724 964 H ARG 123 HN ARG 123 -10.979 -10.281 -2.954 965 HA ARG 123 HA ARG 123 -11.973 -8.234 -4.725 966 1HB ARG 123 HB2 ARG 123 -10.308 -6.588 -3.583 967 2HB ARG 123 HB1 ARG 123 -11.926 -6.790 -2.920 968 1HG ARG 123 HG2 ARG 123 -11.131 -8.202 -1.181 969 2HG ARG 123 HG1 ARG 123 -9.544 -8.325 -1.928 970 1HD ARG 123 HD2 ARG 123 -10.510 -5.631 -1.236 971 2HD ARG 123 HD1 ARG 123 -10.068 -6.688 0.110 972 HE ARG 123 HE ARG 123 -8.203 -6.494 -2.057 973 1HH1 ARG 123 1HH1 ARG 123 -9.105 -5.257 1.182 974 2HH1 ARG 123 2HH1 ARG 123 -7.536 -4.694 1.528 975 1HH2 ARG 123 1HH2 ARG 123 -6.040 -5.749 -1.471 976 2HH2 ARG 123 2HH2 ARG 123 -5.789 -4.925 -0.022 977 H THR 124 HN THR 124 -10.757 -8.265 -6.459 978 HA THR 124 HA THR 124 -7.941 -9.057 -6.242 979 HB THR 124 HB THR 124 -9.573 -8.810 -8.803 980 HG1 THR 124 HG1 THR 124 -10.707 -10.185 -7.459 981 1HG2 THR 124 3HG2 THR 124 -7.214 -10.536 -8.039 982 2HG2 THR 124 2HG2 THR 124 -8.012 -10.482 -9.623 983 3HG2 THR 124 1HG2 THR 124 -7.181 -9.052 -8.995 984 H LYS 125 HN LYS 125 -6.609 -7.539 -8.164 985 HA LYS 125 HA LYS 125 -6.807 -5.040 -7.053 986 1HB LYS 125 HB2 LYS 125 -4.684 -5.692 -7.602 987 2HB LYS 125 HB1 LYS 125 -5.148 -6.360 -9.143 988 1HG LYS 125 HG2 LYS 125 -5.457 -3.473 -8.742 989 2HG LYS 125 HG1 LYS 125 -3.798 -4.090 -8.958 990 1HD LYS 125 HD2 LYS 125 -6.118 -4.679 -10.776 991 2HD LYS 125 HD1 LYS 125 -5.035 -3.324 -11.015 992 1HE LYS 125 HE2 LYS 125 -3.158 -4.883 -11.172 993 2HE LYS 125 HE1 LYS 125 -4.270 -6.224 -10.905 994 1HZ LYS 125 HZ1 LYS 125 -4.444 -4.367 -13.230 995 2HZ LYS 125 HZ3 LYS 125 -3.689 -5.866 -13.277 996 3HZ LYS 125 HZ2 LYS 125 -5.321 -5.806 -12.995 997 H ALA 126 HN ALA 126 -7.884 -6.264 -10.163 998 HA ALA 126 HA ALA 126 -8.526 -3.710 -11.219 999 1HB ALA 126 HB2 ALA 126 -9.703 -4.946 -12.969 1000 2HB ALA 126 HB3 ALA 126 -9.592 -6.419 -12.001 1001 3HB ALA 126 HB1 ALA 126 -8.128 -5.671 -12.637 1002 H GLU 127 HN GLU 127 -10.158 -6.005 -9.264 1003 HA GLU 127 HA GLU 127 -12.775 -4.899 -9.605 1004 1HB GLU 127 HB2 GLU 127 -11.918 -6.494 -7.215 1005 2HB GLU 127 HB1 GLU 127 -13.488 -6.457 -8.011 1006 1HG GLU 127 HG2 GLU 127 -12.206 -7.467 -10.052 1007 2HG GLU 127 HG1 GLU 127 -10.969 -7.683 -8.886 1008 H PHE 128 HN PHE 128 -10.141 -4.563 -7.312 1009 HA PHE 128 HA PHE 128 -11.358 -2.911 -5.436 1010 1HB PHE 128 HB2 PHE 128 -9.285 -3.991 -4.896 1011 2HB PHE 128 HB1 PHE 128 -8.474 -3.261 -6.273 1012 HD1 PHE 128 HD1 PHE 128 -7.783 -0.982 -6.227 1013 HD2 PHE 128 HD2 PHE 128 -9.703 -2.745 -2.896 1014 HE1 PHE 128 HE1 PHE 128 -7.051 0.928 -4.815 1015 HE2 PHE 128 HE2 PHE 128 -9.003 -0.855 -1.466 1016 HZ PHE 128 HZ PHE 128 -7.680 0.986 -2.434 1017 H GLU 129 HN GLU 129 -9.286 -2.051 -8.235 1018 HA GLU 129 HA GLU 129 -9.634 0.684 -7.703 1019 1HB GLU 129 HB2 GLU 129 -8.577 1.040 -9.990 1020 2HB GLU 129 HB1 GLU 129 -7.630 0.156 -8.807 1021 1HG GLU 129 HG2 GLU 129 -8.127 -1.918 -9.884 1022 2HG GLU 129 HG1 GLU 129 -9.234 -1.120 -10.995 1023 H ASP 130 HN ASP 130 -11.555 -1.538 -9.368 1024 HA ASP 130 HA ASP 130 -13.100 0.343 -10.893 1025 1HB ASP 130 HB2 ASP 130 -13.056 -2.059 -11.430 1026 2HB ASP 130 HB1 ASP 130 -13.804 -2.410 -9.893 1027 H VAL 131 HN VAL 131 -13.575 -1.326 -7.837 1028 HA VAL 131 HA VAL 131 -16.008 0.071 -7.307 1029 HB VAL 131 HB VAL 131 -15.642 -2.133 -6.225 1030 1HG1 VAL 131 1HG1 VAL 131 -13.280 -2.019 -5.900 1031 2HG1 VAL 131 3HG1 VAL 131 -13.494 -0.816 -4.629 1032 3HG1 VAL 131 2HG1 VAL 131 -14.117 -2.455 -4.407 1033 1HG2 VAL 131 1HG2 VAL 131 -15.867 0.092 -4.224 1034 2HG2 VAL 131 3HG2 VAL 131 -17.198 -0.652 -5.121 1035 3HG2 VAL 131 2HG2 VAL 131 -16.281 -1.595 -3.926 1036 H ILE 132 HN ILE 132 -12.681 0.628 -6.428 1037 HA ILE 132 HA ILE 132 -13.198 2.756 -4.680 1038 HB ILE 132 HB ILE 132 -10.812 1.523 -5.841 1039 1HG1 ILE 132 2HG1 ILE 132 -9.936 1.846 -3.568 1040 2HG1 ILE 132 1HG1 ILE 132 -11.316 2.856 -3.173 1041 1HG2 ILE 132 2HG2 ILE 132 -10.421 3.744 -6.720 1042 2HG2 ILE 132 1HG2 ILE 132 -10.604 4.438 -5.114 1043 3HG2 ILE 132 3HG2 ILE 132 -9.247 3.351 -5.455 1044 1HD1 ILE 132 2HD1 ILE 132 -11.412 -0.070 -3.881 1045 2HD1 ILE 132 1HD1 ILE 132 -11.567 0.610 -2.262 1046 3HD1 ILE 132 3HD1 ILE 132 -12.800 0.939 -3.480 1047 H GLU 133 HN GLU 133 -12.768 2.725 -8.174 1048 HA GLU 133 HA GLU 133 -12.564 5.527 -8.356 1049 1HB GLU 133 HB2 GLU 133 -13.040 5.305 -10.730 1050 2HB GLU 133 HB1 GLU 133 -11.907 4.071 -10.221 1051 1HG GLU 133 HG2 GLU 133 -13.583 2.434 -10.252 1052 2HG GLU 133 HG1 GLU 133 -14.838 3.642 -10.545 1053 H HIS 134 HN HIS 134 -15.209 3.384 -7.972 1054 HA HIS 134 HA HIS 134 -17.349 5.149 -8.694 1055 1HB HIS 134 HB2 HIS 134 -17.216 2.524 -8.430 1056 2HB HIS 134 HB1 HIS 134 -17.564 2.872 -6.747 1057 HD1 HIS 134 HD1 HIS 134 -19.273 1.695 -9.509 1058 HD2 HIS 134 HD2 HIS 134 -20.051 4.772 -6.833 1059 HE1 HIS 134 HE1 HIS 134 -21.767 2.047 -9.563 1060 H MET 135 HN MET 135 -15.676 4.253 -5.857 1061 HA MET 135 HA MET 135 -17.117 5.648 -3.826 1062 1HB MET 135 HB2 MET 135 -14.208 4.856 -3.834 1063 2HB MET 135 HB1 MET 135 -15.123 5.349 -2.433 1064 1HG MET 135 HG2 MET 135 -15.638 2.863 -4.053 1065 2HG MET 135 HG1 MET 135 -14.710 2.923 -2.562 1066 1HE MET 135 HE1 MET 135 -18.084 2.390 -4.188 1067 2HE MET 135 HE3 MET 135 -19.257 2.839 -2.968 1068 3HE MET 135 HE2 MET 135 -18.415 4.103 -3.878 1069 H LYS 136 HN LYS 136 -14.172 6.484 -5.631 1070 HA LYS 136 HA LYS 136 -13.866 9.052 -4.333 1071 1HB LYS 136 HB2 LYS 136 -12.105 9.539 -5.973 1072 2HB LYS 136 HB1 LYS 136 -11.887 7.968 -5.213 1073 1HG LYS 136 HG2 LYS 136 -12.638 6.853 -7.087 1074 2HG LYS 136 HG1 LYS 136 -13.141 8.336 -7.902 1075 1HD LYS 136 HD2 LYS 136 -10.993 7.475 -8.766 1076 2HD LYS 136 HD1 LYS 136 -10.836 9.074 -8.045 1077 1HE LYS 136 HE2 LYS 136 -9.906 8.145 -6.055 1078 2HE LYS 136 HE1 LYS 136 -10.206 6.502 -6.608 1079 1HZ LYS 136 HZ3 LYS 136 -8.349 8.475 -7.867 1080 2HZ LYS 136 HZ2 LYS 136 -7.866 7.166 -6.935 1081 3HZ LYS 136 HZ1 LYS 136 -8.599 6.912 -8.422 1082 H THR 137 HN THR 137 -15.745 7.890 -6.815 1083 HA THR 137 HA THR 137 -16.157 10.206 -8.260 1084 HB THR 137 HB THR 137 -17.035 7.508 -7.904 1085 HG1 THR 137 HG1 THR 137 -16.009 7.572 -9.568 1086 1HG2 THR 137 3HG2 THR 137 -19.153 9.438 -8.805 1087 2HG2 THR 137 2HG2 THR 137 -19.131 7.647 -9.089 1088 3HG2 THR 137 1HG2 THR 137 -19.043 8.291 -7.444 1089 H TYR 138 HN TYR 138 -17.158 9.054 -5.124 1090 HA TYR 138 HA TYR 138 -19.059 11.195 -4.867 1091 1HB TYR 138 HB2 TYR 138 -18.285 8.954 -2.988 1092 2HB TYR 138 HB1 TYR 138 -19.536 10.156 -2.659 1093 HD1 TYR 138 HD1 TYR 138 -19.034 6.863 -3.920 1094 HD2 TYR 138 HD2 TYR 138 -21.247 10.441 -4.612 1095 HE1 TYR 138 HE1 TYR 138 -20.624 5.634 -5.219 1096 HE2 TYR 138 HE2 TYR 138 -22.877 9.175 -5.911 1097 HH TYR 138 HH TYR 138 -23.012 7.165 -7.150 1098 H SER 139 HN SER 139 -16.220 9.945 -3.052 1099 HA SER 139 HA SER 139 -14.773 10.890 -1.650 1100 1HB SER 139 HB2 SER 139 -14.933 12.856 -3.851 1101 2HB SER 139 HB1 SER 139 -13.685 12.970 -2.572 1102 HG SER 139 HG SER 139 -14.079 11.247 -4.673 1103 H GLY 140 HN GLY 140 -17.738 11.763 -1.246 1104 1HA GLY 140 HA1 GLY 140 -17.403 14.240 0.061 1105 2HA GLY 140 HA2 GLY 140 -17.805 12.826 1.053 No H/Q in entry = 1105 Start of MODEL 14 1 H1 ALA 1 HT3 ALA 1 27.434 8.652 -1.289 2 H2 ALA 1 HT2 ALA 1 26.227 9.768 -1.573 3 H3 ALA 1 HT1 ALA 1 27.830 10.266 -1.417 4 HA ALA 1 HA ALA 1 26.700 10.771 0.597 5 1HB ALA 1 HB2 ALA 1 24.916 9.092 0.389 6 2HB ALA 1 HB3 ALA 1 25.699 9.021 1.968 7 3HB ALA 1 HB1 ALA 1 26.081 7.818 0.735 8 H GLU 2 HN GLU 2 28.573 11.365 1.393 9 HA GLU 2 HA GLU 2 30.424 11.395 2.575 10 1HB GLU 2 HB2 GLU 2 29.480 8.687 3.388 11 2HB GLU 2 HB1 GLU 2 31.025 9.281 3.962 12 1HG GLU 2 HG2 GLU 2 29.819 11.312 4.810 13 2HG GLU 2 HG1 GLU 2 28.311 10.495 4.402 14 H VAL 3 HN VAL 3 32.478 9.700 3.107 15 HA VAL 3 HA VAL 3 33.909 10.027 0.667 16 HB VAL 3 HB VAL 3 35.852 9.340 1.948 17 1HG1 VAL 3 1HG1 VAL 3 34.105 11.282 3.426 18 2HG1 VAL 3 3HG1 VAL 3 35.839 11.089 3.668 19 3HG1 VAL 3 2HG1 VAL 3 35.228 11.641 2.111 20 1HG2 VAL 3 1HG2 VAL 3 33.922 8.755 4.202 21 2HG2 VAL 3 3HG2 VAL 3 34.903 7.586 3.322 22 3HG2 VAL 3 2HG2 VAL 3 35.676 8.784 4.355 23 H GLU 4 HN GLU 4 35.536 8.286 0.180 24 HA GLU 4 HA GLU 4 34.084 5.853 -0.256 25 1HB GLU 4 HB2 GLU 4 36.848 6.693 -1.109 26 2HB GLU 4 HB1 GLU 4 36.066 5.188 -1.594 27 1HG GLU 4 HG2 GLU 4 34.288 6.531 -2.657 28 2HG GLU 4 HG1 GLU 4 35.210 7.983 -2.258 29 H HIS 5 HN HIS 5 34.651 3.931 0.696 30 HA HIS 5 HA HIS 5 36.445 4.236 2.999 31 1HB HIS 5 HB2 HIS 5 34.121 2.328 2.772 32 2HB HIS 5 HB1 HIS 5 35.070 2.682 4.192 33 HD1 HIS 5 HD1 HIS 5 32.223 4.048 2.176 34 HD2 HIS 5 HD2 HIS 5 34.478 5.075 5.507 35 HE1 HIS 5 HE1 HIS 5 30.987 5.922 3.303 36 H TYR 6 HN TYR 6 37.024 1.966 3.797 37 HA TYR 6 HA TYR 6 38.412 0.583 1.650 38 1HB TYR 6 HB2 TYR 6 38.557 0.268 4.667 39 2HB TYR 6 HB1 TYR 6 39.646 -0.425 3.479 40 HD1 TYR 6 HD1 TYR 6 38.392 2.986 4.452 41 HD2 TYR 6 HD2 TYR 6 41.701 0.599 3.254 42 HE1 TYR 6 HE1 TYR 6 39.879 4.936 4.688 43 HE2 TYR 6 HE2 TYR 6 43.178 2.541 3.475 44 HH TYR 6 HH TYR 6 42.961 4.986 3.397 45 H GLU 7 HN GLU 7 36.121 0.230 4.231 46 HA GLU 7 HA GLU 7 35.439 -2.506 3.569 47 1HB GLU 7 HB2 GLU 7 34.318 -0.597 5.643 48 2HB GLU 7 HB1 GLU 7 33.963 -2.309 5.541 49 1HG GLU 7 HG2 GLU 7 36.358 -2.778 5.983 50 2HG GLU 7 HG1 GLU 7 36.609 -1.051 6.221 51 HA PRO 8 HA PRO 8 31.933 -1.099 1.213 52 1HB PRO 8 HB2 PRO 8 30.008 -2.926 1.696 53 2HB PRO 8 HB1 PRO 8 31.425 -3.275 0.716 54 1HG PRO 8 HG2 PRO 8 30.897 -4.037 3.551 55 2HG PRO 8 HG1 PRO 8 31.721 -4.945 2.276 56 1HD PRO 8 HD2 PRO 8 32.986 -3.554 4.282 57 2HD PRO 8 HD1 PRO 8 33.723 -3.962 2.726 58 H LEU 9 HN LEU 9 29.335 -0.939 1.535 59 HA LEU 9 HA LEU 9 29.120 0.955 3.814 60 1HB LEU 9 HB2 LEU 9 28.925 1.549 1.109 61 2HB LEU 9 HB1 LEU 9 27.323 1.081 1.483 62 HG LEU 9 HG LEU 9 27.583 3.526 1.542 63 1HD1 LEU 9 2HD1 LEU 9 26.802 2.320 4.182 64 2HD1 LEU 9 1HD1 LEU 9 26.398 3.948 3.633 65 3HD1 LEU 9 3HD1 LEU 9 25.761 2.546 2.776 66 1HD2 LEU 9 2HD2 LEU 9 29.839 3.664 2.422 67 2HD2 LEU 9 1HD2 LEU 9 28.713 4.591 3.415 68 3HD2 LEU 9 3HD2 LEU 9 29.293 3.026 3.971 69 H GLN 10 HN GLN 10 27.700 0.238 5.355 70 HA GLN 10 HA GLN 10 25.771 -1.742 4.695 71 1HB GLN 10 HB2 GLN 10 26.478 -0.328 7.214 72 2HB GLN 10 HB1 GLN 10 24.985 -1.248 7.119 73 1HG GLN 10 HG2 GLN 10 26.370 -3.203 6.448 74 2HG GLN 10 HG1 GLN 10 27.798 -2.228 6.794 75 1HE2 GLN 10 1HE2 GLN 10 28.410 -3.680 8.356 76 2HE2 GLN 10 2HE2 GLN 10 27.639 -3.747 9.903 77 H VAL 11 HN VAL 11 24.172 -1.184 3.565 78 HA VAL 11 HA VAL 11 22.725 1.310 4.078 79 HB VAL 11 HB VAL 11 22.205 -0.564 1.819 80 1HG1 VAL 11 1HG1 VAL 11 20.582 1.125 2.191 81 2HG1 VAL 11 3HG1 VAL 11 21.816 2.386 2.107 82 3HG1 VAL 11 2HG1 VAL 11 21.432 1.425 0.675 83 1HG2 VAL 11 1HG2 VAL 11 24.582 -0.143 1.689 84 2HG2 VAL 11 3HG2 VAL 11 23.742 0.664 0.376 85 3HG2 VAL 11 2HG2 VAL 11 24.305 1.605 1.760 86 H HIS 12 HN HIS 12 21.021 1.016 5.284 87 HA HIS 12 HA HIS 12 19.704 -1.590 5.435 88 1HB HIS 12 HB2 HIS 12 19.375 0.922 7.100 89 2HB HIS 12 HB1 HIS 12 18.474 -0.584 7.314 90 HD1 HIS 12 HD1 HIS 12 19.306 -1.271 9.643 91 HD2 HIS 12 HD2 HIS 12 22.410 -0.298 7.041 92 HE1 HIS 12 HE1 HIS 12 21.432 -1.889 10.820 93 H VAL 13 HN VAL 13 18.189 -1.779 3.915 94 HA VAL 13 HA VAL 13 16.757 0.619 3.080 95 HB VAL 13 HB VAL 13 16.271 -0.485 1.032 96 1HG1 VAL 13 3HG1 VAL 13 18.477 0.521 1.177 97 2HG1 VAL 13 2HG1 VAL 13 19.114 -1.034 1.747 98 3HG1 VAL 13 1HG1 VAL 13 18.472 -0.904 0.119 99 1HG2 VAL 13 3HG2 VAL 13 15.908 -2.748 1.839 100 2HG2 VAL 13 2HG2 VAL 13 17.033 -2.735 0.472 101 3HG2 VAL 13 1HG2 VAL 13 17.641 -2.901 2.128 102 H GLN 14 HN GLN 14 14.771 0.820 3.361 103 HA GLN 14 HA GLN 14 13.280 -1.388 4.559 104 1HB GLN 14 HB2 GLN 14 13.185 0.635 5.900 105 2HB GLN 14 HB1 GLN 14 12.707 1.589 4.504 106 1HG GLN 14 HG2 GLN 14 10.579 0.433 4.406 107 2HG GLN 14 HG1 GLN 14 11.073 -0.625 5.724 108 1HE2 GLN 14 1HE2 GLN 14 8.823 1.244 5.451 109 2HE2 GLN 14 2HE2 GLN 14 8.924 2.301 6.801 110 H LEU 15 HN LEU 15 12.116 -2.503 3.223 111 HA LEU 15 HA LEU 15 11.351 -1.242 0.720 112 1HB LEU 15 HB2 LEU 15 11.371 -4.119 1.526 113 2HB LEU 15 HB1 LEU 15 10.858 -3.546 -0.031 114 HG LEU 15 HG LEU 15 12.867 -4.223 -0.574 115 1HD1 LEU 15 1HD1 LEU 15 13.015 -1.933 -1.128 116 2HD1 LEU 15 3HD1 LEU 15 13.653 -1.534 0.468 117 3HD1 LEU 15 2HD1 LEU 15 14.608 -2.515 -0.645 118 1HD2 LEU 15 3HD2 LEU 15 13.906 -3.668 2.179 119 2HD2 LEU 15 2HD2 LEU 15 13.433 -5.220 1.442 120 3HD2 LEU 15 1HD2 LEU 15 14.818 -4.342 0.814 121 H GLU 16 HN GLU 16 9.364 -0.545 0.616 122 HA GLU 16 HA GLU 16 7.298 -1.786 2.287 123 1HB GLU 16 HB2 GLU 16 7.130 0.695 0.580 124 2HB GLU 16 HB1 GLU 16 5.945 0.146 1.753 125 1HG GLU 16 HG2 GLU 16 7.548 0.519 3.542 126 2HG GLU 16 HG1 GLU 16 8.733 1.085 2.363 127 H LYS 17 HN LYS 17 5.941 -3.143 1.349 128 HA LYS 17 HA LYS 17 5.905 -3.338 -1.596 129 1HB LYS 17 HB2 LYS 17 4.934 -5.237 0.559 130 2HB LYS 17 HB1 LYS 17 4.830 -5.538 -1.166 131 1HG LYS 17 HG2 LYS 17 7.453 -5.072 0.201 132 2HG LYS 17 HG1 LYS 17 6.709 -6.663 0.152 133 1HD LYS 17 HD2 LYS 17 6.704 -6.589 -2.284 134 2HD LYS 17 HD1 LYS 17 7.464 -4.983 -2.256 135 1HE LYS 17 HE2 LYS 17 9.380 -5.905 -1.149 136 2HE LYS 17 HE1 LYS 17 8.604 -7.492 -1.054 137 1HZ LYS 17 HZ3 LYS 17 9.422 -6.139 -3.600 138 2HZ LYS 17 HZ2 LYS 17 10.242 -7.372 -2.814 139 3HZ LYS 17 HZ1 LYS 17 8.730 -7.663 -3.442 140 H VAL 18 HN VAL 18 4.205 -2.007 -2.382 141 HA VAL 18 HA VAL 18 1.999 -1.673 -0.519 142 HB VAL 18 HB VAL 18 2.143 -0.266 -3.205 143 1HG1 VAL 18 1HG1 VAL 18 0.756 0.439 -0.665 144 2HG1 VAL 18 3HG1 VAL 18 0.775 1.403 -2.140 145 3HG1 VAL 18 2HG1 VAL 18 0.028 -0.196 -2.141 146 1HG2 VAL 18 2HG2 VAL 18 3.395 0.694 -0.620 147 2HG2 VAL 18 1HG2 VAL 18 4.258 0.233 -2.088 148 3HG2 VAL 18 3HG2 VAL 18 3.211 1.652 -2.095 149 H TYR 19 HN TYR 19 0.641 -3.232 -0.567 150 HA TYR 19 HA TYR 19 0.040 -4.658 -2.993 151 1HB TYR 19 HB2 TYR 19 -0.901 -4.870 -0.146 152 2HB TYR 19 HB1 TYR 19 -1.577 -5.836 -1.444 153 HD1 TYR 19 HD1 TYR 19 1.528 -5.167 0.495 154 HD2 TYR 19 HD2 TYR 19 -0.510 -7.727 -2.213 155 HE1 TYR 19 HE1 TYR 19 3.236 -6.916 0.854 156 HE2 TYR 19 HE2 TYR 19 1.104 -9.452 -1.909 157 HH TYR 19 HH TYR 19 3.480 -9.696 -1.130 158 H LEU 20 HN LEU 20 -1.989 -4.674 -3.959 159 HA LEU 20 HA LEU 20 -3.519 -2.238 -3.710 160 1HB LEU 20 HB2 LEU 20 -4.233 -4.725 -5.254 161 2HB LEU 20 HB1 LEU 20 -4.904 -3.127 -5.449 162 HG LEU 20 HG LEU 20 -2.084 -3.926 -6.069 163 1HD1 LEU 20 2HD1 LEU 20 -3.760 -4.825 -7.489 164 2HD1 LEU 20 1HD1 LEU 20 -4.412 -3.226 -7.815 165 3HD1 LEU 20 3HD1 LEU 20 -2.772 -3.638 -8.363 166 1HD2 LEU 20 2HD2 LEU 20 -3.527 -1.306 -6.412 167 2HD2 LEU 20 1HD2 LEU 20 -2.237 -1.672 -5.262 168 3HD2 LEU 20 3HD2 LEU 20 -1.890 -1.671 -6.994 169 H ASP 21 HN ASP 21 -3.410 -5.053 -2.243 170 HA ASP 21 HA ASP 21 -6.095 -5.410 -1.332 171 1HB ASP 21 HB2 ASP 21 -4.379 -7.163 -1.050 172 2HB ASP 21 HB1 ASP 21 -3.517 -6.128 0.075 173 H GLY 22 HN GLY 22 -3.343 -3.538 -0.283 174 1HA GLY 22 HA1 GLY 22 -4.994 -2.296 1.801 175 2HA GLY 22 HA2 GLY 22 -3.750 -1.456 0.870 176 H ASP 23 HN ASP 23 -2.911 -4.560 1.406 177 HA ASP 23 HA ASP 23 -1.626 -4.288 3.959 178 1HB ASP 23 HB2 ASP 23 -2.424 -6.506 3.266 179 2HB ASP 23 HB1 ASP 23 -1.451 -6.431 1.806 180 H VAL 24 HN VAL 24 0.641 -4.429 4.178 181 HA VAL 24 HA VAL 24 2.313 -3.947 1.956 182 HB VAL 24 HB VAL 24 1.740 -1.687 2.115 183 1HG1 VAL 24 3HG1 VAL 24 2.032 -1.912 5.104 184 2HG1 VAL 24 2HG1 VAL 24 1.658 -0.410 4.223 185 3HG1 VAL 24 1HG1 VAL 24 0.542 -1.792 4.168 186 1HG2 VAL 24 1HG2 VAL 24 4.249 -2.016 3.758 187 2HG2 VAL 24 3HG2 VAL 24 4.139 -1.942 1.997 188 3HG2 VAL 24 2HG2 VAL 24 3.745 -0.523 2.969 189 H SER 25 HN SER 25 3.878 -5.150 2.251 190 HA SER 25 HA SER 25 4.619 -5.973 4.913 191 1HB SER 25 HB2 SER 25 4.355 -7.615 2.989 192 2HB SER 25 HB1 SER 25 5.748 -6.851 2.238 193 HG SER 25 HG SER 25 5.891 -7.872 4.863 194 H ILE 26 HN ILE 26 6.248 -5.159 5.955 195 HA ILE 26 HA ILE 26 7.978 -3.236 4.597 196 HB ILE 26 HB ILE 26 7.389 -3.618 7.545 197 1HG1 ILE 26 2HG1 ILE 26 5.469 -2.688 6.402 198 2HG1 ILE 26 1HG1 ILE 26 6.227 -1.437 7.390 199 1HG2 ILE 26 2HG2 ILE 26 9.647 -2.769 7.202 200 2HG2 ILE 26 1HG2 ILE 26 9.014 -1.476 6.180 201 3HG2 ILE 26 3HG2 ILE 26 8.611 -1.520 7.896 202 1HD1 ILE 26 3HD1 ILE 26 7.290 -0.547 5.367 203 2HD1 ILE 26 2HD1 ILE 26 6.443 -1.783 4.424 204 3HD1 ILE 26 1HD1 ILE 26 5.522 -0.544 5.273 205 H GLU 27 HN GLU 27 9.836 -4.034 4.072 206 HA GLU 27 HA GLU 27 11.003 -6.184 5.693 207 1HB GLU 27 HB2 GLU 27 10.495 -6.932 3.491 208 2HB GLU 27 HB1 GLU 27 11.205 -5.504 2.767 209 1HG GLU 27 HG2 GLU 27 12.753 -7.193 2.421 210 2HG GLU 27 HG1 GLU 27 13.375 -6.237 3.733 211 H HIS 28 HN HIS 28 13.203 -6.024 6.145 212 HA HIS 28 HA HIS 28 14.517 -3.473 5.529 213 1HB HIS 28 HB2 HIS 28 14.712 -4.982 8.137 214 2HB HIS 28 HB1 HIS 28 15.638 -3.551 7.728 215 HD1 HIS 28 HD1 HIS 28 13.328 -4.041 10.061 216 HD2 HIS 28 HD2 HIS 28 13.149 -1.776 6.616 217 HE1 HIS 28 HE1 HIS 28 11.611 -2.255 10.520 218 H LYS 29 HN LYS 29 16.011 -3.994 4.167 219 HA LYS 29 HA LYS 29 17.604 -6.465 4.595 220 1HB LYS 29 HB2 LYS 29 17.525 -4.788 2.056 221 2HB LYS 29 HB1 LYS 29 18.324 -6.315 2.262 222 1HG LYS 29 HG2 LYS 29 15.421 -5.808 2.224 223 2HG LYS 29 HG1 LYS 29 16.427 -6.462 0.930 224 1HD LYS 29 HD2 LYS 29 17.041 -8.204 2.755 225 2HD LYS 29 HD1 LYS 29 15.503 -7.676 3.454 226 1HE LYS 29 HE2 LYS 29 14.535 -7.855 1.138 227 2HE LYS 29 HE1 LYS 29 16.027 -8.681 0.739 228 1HZ LYS 29 HZ1 LYS 29 15.487 -10.405 2.425 229 2HZ LYS 29 HZ3 LYS 29 14.018 -9.638 2.748 230 3HZ LYS 29 HZ2 LYS 29 14.304 -10.330 1.243 231 H HIS 30 HN HIS 30 19.579 -6.062 5.354 232 HA HIS 30 HA HIS 30 20.551 -3.414 4.660 233 1HB HIS 30 HB2 HIS 30 21.789 -3.135 6.667 234 2HB HIS 30 HB1 HIS 30 20.211 -3.692 7.166 235 HD1 HIS 30 HD1 HIS 30 20.150 -6.081 8.324 236 HD2 HIS 30 HD2 HIS 30 23.921 -4.690 7.290 237 HE1 HIS 30 HE1 HIS 30 21.806 -7.484 9.611 238 H GLU 31 HN GLU 31 22.065 -3.313 3.343 239 HA GLU 31 HA GLU 31 23.628 -5.770 2.977 240 1HB GLU 31 HB2 GLU 31 23.809 -5.281 0.592 241 2HB GLU 31 HB1 GLU 31 22.133 -5.514 1.096 242 1HG GLU 31 HG2 GLU 31 21.727 -3.174 0.913 243 2HG GLU 31 HG1 GLU 31 23.441 -2.858 0.611 244 H LYS 32 HN LYS 32 25.736 -5.477 2.047 245 HA LYS 32 HA LYS 32 26.774 -2.853 2.654 246 1HB LYS 32 HB2 LYS 32 28.060 -5.549 2.773 247 2HB LYS 32 HB1 LYS 32 28.961 -4.043 2.826 248 1HG LYS 32 HG2 LYS 32 27.744 -3.396 4.836 249 2HG LYS 32 HG1 LYS 32 26.895 -4.931 4.864 250 1HD LYS 32 HD2 LYS 32 29.829 -4.384 5.262 251 2HD LYS 32 HD1 LYS 32 28.688 -5.132 6.376 252 1HE LYS 32 HE2 LYS 32 28.439 -7.002 4.727 253 2HE LYS 32 HE1 LYS 32 29.731 -6.206 3.812 254 1HZ LYS 32 HZ3 LYS 32 31.232 -6.532 5.658 255 2HZ LYS 32 HZ2 LYS 32 30.020 -7.245 6.589 256 3HZ LYS 32 HZ1 LYS 32 30.588 -8.015 5.216 257 H VAL 33 HN VAL 33 27.292 -1.762 1.015 258 HA VAL 33 HA VAL 33 28.087 -3.176 -1.396 259 HB VAL 33 HB VAL 33 25.927 -2.564 -2.032 260 1HG1 VAL 33 3HG1 VAL 33 26.266 0.087 -0.689 261 2HG1 VAL 33 2HG1 VAL 33 24.861 -0.471 -1.615 262 3HG1 VAL 33 1HG1 VAL 33 25.316 -1.297 -0.125 263 1HG2 VAL 33 3HG2 VAL 33 27.502 -1.737 -3.686 264 2HG2 VAL 33 2HG2 VAL 33 26.063 -0.709 -3.589 265 3HG2 VAL 33 1HG2 VAL 33 27.564 -0.216 -2.793 266 H PHE 34 HN PHE 34 29.757 -2.370 -2.612 267 HA PHE 34 HA PHE 34 31.484 -0.494 -1.299 268 1HB PHE 34 HB2 PHE 34 31.754 -2.004 -3.880 269 2HB PHE 34 HB1 PHE 34 32.980 -0.932 -3.229 270 HD1 PHE 34 HD1 PHE 34 33.546 -1.482 -0.673 271 HD2 PHE 34 HD2 PHE 34 32.030 -4.219 -3.536 272 HE1 PHE 34 HE1 PHE 34 34.574 -3.334 0.571 273 HE2 PHE 34 HE2 PHE 34 33.030 -6.093 -2.287 274 HZ PHE 34 HZ PHE 34 34.312 -5.647 -0.231 275 H SER 35 HN SER 35 29.331 -0.384 -4.105 276 HA SER 35 HA SER 35 30.049 2.426 -4.365 277 1HB SER 35 HB2 SER 35 31.143 1.198 -6.215 278 2HB SER 35 HB1 SER 35 29.571 0.506 -6.646 279 HG SER 35 HG SER 35 30.373 2.452 -7.821 280 H MET 36 HN MET 36 28.313 3.480 -3.852 281 HA MET 36 HA MET 36 25.754 2.469 -3.585 282 1HB MET 36 HB2 MET 36 26.766 5.248 -3.959 283 2HB MET 36 HB1 MET 36 25.048 4.941 -3.787 284 1HG MET 36 HG2 MET 36 26.512 3.565 -1.735 285 2HG MET 36 HG1 MET 36 26.940 5.282 -1.782 286 1HE MET 36 HE2 MET 36 23.676 3.729 -2.928 287 2HE MET 36 HE1 MET 36 23.799 2.743 -1.485 288 3HE MET 36 HE3 MET 36 22.530 3.996 -1.625 289 H ASP 37 HN ASP 37 27.327 3.591 -6.361 290 HA ASP 37 HA ASP 37 25.155 4.142 -8.078 291 1HB ASP 37 HB2 ASP 37 27.375 4.775 -8.753 292 2HB ASP 37 HB1 ASP 37 27.920 3.104 -8.693 293 H ASP 38 HN ASP 38 26.850 1.114 -7.339 294 HA ASP 38 HA ASP 38 25.499 -0.489 -9.273 295 1HB ASP 38 HB2 ASP 38 27.702 -1.000 -8.026 296 2HB ASP 38 HB1 ASP 38 26.639 -1.392 -6.667 297 H PHE 39 HN PHE 39 24.974 0.434 -5.966 298 HA PHE 39 HA PHE 39 22.855 -1.253 -5.284 299 1HB PHE 39 HB2 PHE 39 24.117 -0.082 -3.608 300 2HB PHE 39 HB1 PHE 39 23.672 1.475 -4.287 301 HD1 PHE 39 HD1 PHE 39 21.469 2.366 -3.950 302 HD2 PHE 39 HD2 PHE 39 22.630 -1.316 -2.223 303 HE1 PHE 39 HE1 PHE 39 19.545 2.494 -2.422 304 HE2 PHE 39 HE2 PHE 39 20.698 -1.197 -0.686 305 HZ PHE 39 HZ PHE 39 19.166 0.727 -0.810 306 H TRP 40 HN TRP 40 22.937 2.072 -6.634 307 HA TRP 40 HA TRP 40 20.153 2.447 -6.650 308 1HB TRP 40 HB2 TRP 40 22.215 3.783 -8.427 309 2HB TRP 40 HB1 TRP 40 20.553 4.324 -8.221 310 HD1 TRP 40 HD1 TRP 40 23.727 5.464 -7.226 311 HE1 TRP 40 HE1 TRP 40 23.774 6.559 -4.886 312 HE3 TRP 40 HE3 TRP 40 19.224 3.808 -5.405 313 HZ2 TRP 40 HZ2 TRP 40 22.158 6.679 -2.618 314 HZ3 TRP 40 HZ3 TRP 40 18.577 4.452 -3.157 315 HH2 TRP 40 HH2 TRP 40 19.993 5.862 -1.795 316 H ALA 41 HN ALA 41 22.340 1.149 -9.007 317 HA ALA 41 HA ALA 41 20.357 0.837 -11.036 318 1HB ALA 41 HB3 ALA 41 22.019 -0.513 -12.195 319 2HB ALA 41 HB2 ALA 41 22.782 0.932 -11.518 320 3HB ALA 41 HB1 ALA 41 22.978 -0.624 -10.717 321 H ALA 42 HN ALA 42 21.358 -1.064 -8.331 322 HA ALA 42 HA ALA 42 20.097 -3.474 -9.110 323 1HB ALA 42 HB2 ALA 42 20.715 -2.476 -6.332 324 2HB ALA 42 HB1 ALA 42 20.374 -4.150 -6.778 325 3HB ALA 42 HB3 ALA 42 21.840 -3.347 -7.353 326 H TYR 43 HN TYR 43 18.994 -0.706 -7.171 327 HA TYR 43 HA TYR 43 16.307 -1.944 -6.994 328 1HB TYR 43 HB2 TYR 43 17.583 0.199 -5.285 329 2HB TYR 43 HB1 TYR 43 15.943 -0.391 -5.115 330 HD1 TYR 43 HD1 TYR 43 15.469 -2.380 -3.937 331 HD2 TYR 43 HD2 TYR 43 19.489 -1.343 -4.774 332 HE1 TYR 43 HE1 TYR 43 16.270 -4.176 -2.354 333 HE2 TYR 43 HE2 TYR 43 20.286 -3.081 -3.249 334 HH TYR 43 HH TYR 43 19.656 -4.417 -1.542 335 H ALA 44 HN ALA 44 17.692 -0.101 -9.139 336 HA ALA 44 HA ALA 44 16.534 2.297 -9.336 337 1HB ALA 44 HB3 ALA 44 16.885 0.377 -11.625 338 2HB ALA 44 HB1 ALA 44 18.141 1.392 -10.922 339 3HB ALA 44 HB2 ALA 44 16.771 2.133 -11.753 340 H GLY 45 HN GLY 45 14.805 -0.699 -9.695 341 1HA GLY 45 HA1 GLY 45 12.644 -1.167 -10.413 342 2HA GLY 45 HA2 GLY 45 12.554 0.453 -11.074 343 H TRP 46 HN TRP 46 13.355 -0.272 -7.666 344 HA TRP 46 HA TRP 46 10.817 0.082 -6.559 345 1HB TRP 46 HB2 TRP 46 13.558 0.684 -5.446 346 2HB TRP 46 HB1 TRP 46 12.074 0.561 -4.524 347 HD1 TRP 46 HD1 TRP 46 14.334 -1.709 -6.702 348 HE1 TRP 46 HE1 TRP 46 14.216 -4.090 -5.719 349 HE3 TRP 46 HE3 TRP 46 10.906 -0.868 -3.074 350 HZ2 TRP 46 HZ2 TRP 46 12.825 -5.421 -3.603 351 HZ3 TRP 46 HZ3 TRP 46 10.216 -2.710 -1.652 352 HH2 TRP 46 HH2 TRP 46 11.159 -4.953 -1.932 353 H THR 47 HN THR 47 9.943 2.014 -5.459 354 HA THR 47 HA THR 47 10.681 4.473 -6.692 355 HB THR 47 HB THR 47 8.689 3.806 -4.537 356 HG1 THR 47 HG1 THR 47 8.693 3.347 -7.254 357 1HG2 THR 47 1HG2 THR 47 8.860 6.130 -6.456 358 2HG2 THR 47 3HG2 THR 47 7.555 5.841 -5.292 359 3HG2 THR 47 2HG2 THR 47 9.196 6.161 -4.718 360 H LEU 48 HN LEU 48 12.338 5.586 -5.816 361 HA LEU 48 HA LEU 48 13.327 5.111 -3.179 362 1HB LEU 48 HB2 LEU 48 14.746 5.711 -5.179 363 2HB LEU 48 HB1 LEU 48 14.018 7.291 -5.182 364 HG LEU 48 HG LEU 48 16.394 7.092 -4.257 365 1HD1 LEU 48 1HD1 LEU 48 15.080 9.101 -3.838 366 2HD1 LEU 48 3HD1 LEU 48 14.392 8.344 -2.389 367 3HD1 LEU 48 2HD1 LEU 48 16.128 8.670 -2.488 368 1HD2 LEU 48 3HD2 LEU 48 16.092 5.077 -2.962 369 2HD2 LEU 48 2HD2 LEU 48 16.620 6.423 -1.939 370 3HD2 LEU 48 1HD2 LEU 48 14.938 5.910 -1.921 371 H VAL 49 HN VAL 49 12.176 5.815 -1.486 372 HA VAL 49 HA VAL 49 10.527 8.157 -1.852 373 HB VAL 49 HB VAL 49 10.680 6.250 0.539 374 1HG1 VAL 49 2HG1 VAL 49 10.001 8.501 1.234 375 2HG1 VAL 49 1HG1 VAL 49 8.733 8.489 0.005 376 3HG1 VAL 49 3HG1 VAL 49 8.675 7.346 1.346 377 1HG2 VAL 49 1HG2 VAL 49 9.769 5.235 -1.468 378 2HG2 VAL 49 3HG2 VAL 49 8.517 5.473 -0.248 379 3HG2 VAL 49 2HG2 VAL 49 8.623 6.565 -1.630 380 H GLU 50 HN GLU 50 13.154 7.064 0.310 381 HA GLU 50 HA GLU 50 14.326 9.623 0.134 382 1HB GLU 50 HB2 GLU 50 14.286 10.207 2.537 383 2HB GLU 50 HB1 GLU 50 12.661 10.225 1.834 384 1HG GLU 50 HG2 GLU 50 12.325 8.040 2.791 385 2HG GLU 50 HG1 GLU 50 13.886 8.152 3.609 386 H GLN 51 HN GLN 51 16.348 9.696 1.126 387 HA GLN 51 HA GLN 51 17.373 7.207 2.189 388 1HB GLN 51 HB2 GLN 51 19.400 7.485 0.760 389 2HB GLN 51 HB1 GLN 51 17.909 7.097 -0.095 390 1HG GLN 51 HG2 GLN 51 17.668 9.318 -0.874 391 2HG GLN 51 HG1 GLN 51 19.013 9.878 0.119 392 1HE2 GLN 51 1HE2 GLN 51 18.067 8.051 -2.637 393 2HE2 GLN 51 2HE2 GLN 51 19.640 7.894 -3.340 394 H LYS 52 HN LYS 52 18.923 7.462 3.671 395 HA LYS 52 HA LYS 52 20.048 10.088 4.174 396 1HB LYS 52 HB2 LYS 52 19.507 9.729 6.617 397 2HB LYS 52 HB1 LYS 52 18.178 10.299 5.579 398 1HG LYS 52 HG2 LYS 52 17.544 7.862 5.447 399 2HG LYS 52 HG1 LYS 52 18.666 7.557 6.771 400 1HD LYS 52 HD2 LYS 52 16.566 7.784 7.784 401 2HD LYS 52 HD1 LYS 52 17.341 9.360 8.018 402 1HE LYS 52 HE2 LYS 52 16.193 10.257 6.124 403 2HE LYS 52 HE1 LYS 52 15.523 8.670 5.758 404 1HZ LYS 52 HZ3 LYS 52 14.267 8.794 7.859 405 2HZ LYS 52 HZ2 LYS 52 14.847 10.348 8.136 406 3HZ LYS 52 HZ1 LYS 52 13.882 10.017 6.767 407 H LYS 53 HN LYS 53 22.140 9.646 4.049 408 HA LYS 53 HA LYS 53 24.093 8.656 4.072 409 1HB LYS 53 HB2 LYS 53 23.727 9.582 6.391 410 2HB LYS 53 HB1 LYS 53 23.343 7.944 6.891 411 1HG LYS 53 HG2 LYS 53 25.927 8.630 5.542 412 2HG LYS 53 HG1 LYS 53 25.634 8.834 7.271 413 1HD LYS 53 HD2 LYS 53 25.302 6.491 7.570 414 2HD LYS 53 HD1 LYS 53 25.111 6.274 5.828 415 1HE LYS 53 HE2 LYS 53 27.265 5.382 6.526 416 2HE LYS 53 HE1 LYS 53 27.447 6.819 5.514 417 1HZ LYS 53 HZ1 LYS 53 27.581 6.899 8.479 418 2HZ LYS 53 HZ3 LYS 53 28.919 6.725 7.484 419 3HZ LYS 53 HZ2 LYS 53 28.018 8.127 7.372 420 H GLY 54 HN GLY 54 22.582 6.373 6.031 421 1HA GLY 54 HA1 GLY 54 23.742 4.126 5.835 422 2HA GLY 54 HA2 GLY 54 23.479 4.322 4.113 423 H TYR 55 HN TYR 55 20.670 5.596 5.419 424 HA TYR 55 HA TYR 55 19.524 2.945 5.204 425 1HB TYR 55 HB2 TYR 55 18.979 3.624 7.388 426 2HB TYR 55 HB1 TYR 55 18.844 5.315 6.926 427 HD1 TYR 55 HD1 TYR 55 16.907 6.153 6.048 428 HD2 TYR 55 HD2 TYR 55 17.079 2.074 7.014 429 HE1 TYR 55 HE1 TYR 55 14.428 6.049 5.854 430 HE2 TYR 55 HE2 TYR 55 14.616 1.894 6.834 431 HH TYR 55 HH TYR 55 12.657 3.272 6.879 432 H VAL 56 HN VAL 56 18.169 2.675 3.586 433 HA VAL 56 HA VAL 56 17.292 5.078 2.192 434 HB VAL 56 HB VAL 56 18.234 2.502 0.877 435 1HG1 VAL 56 1HG1 VAL 56 17.186 5.050 -0.313 436 2HG1 VAL 56 3HG1 VAL 56 17.847 3.688 -1.216 437 3HG1 VAL 56 2HG1 VAL 56 16.359 3.494 -0.284 438 1HG2 VAL 56 3HG2 VAL 56 20.082 3.923 1.664 439 2HG2 VAL 56 2HG2 VAL 56 20.000 3.877 -0.100 440 3HG2 VAL 56 1HG2 VAL 56 19.400 5.283 0.775 441 H LEU 57 HN LEU 57 15.204 5.158 1.737 442 HA LEU 57 HA LEU 57 13.591 2.857 2.477 443 1HB LEU 57 HB2 LEU 57 13.128 4.594 3.960 444 2HB LEU 57 HB1 LEU 57 13.286 5.813 2.732 445 HG LEU 57 HG LEU 57 11.114 5.272 1.858 446 1HD1 LEU 57 1HD1 LEU 57 11.121 2.922 2.234 447 2HD1 LEU 57 3HD1 LEU 57 10.714 3.208 3.960 448 3HD1 LEU 57 2HD1 LEU 57 9.672 3.812 2.630 449 1HD2 LEU 57 3HD2 LEU 57 11.222 6.886 3.650 450 2HD2 LEU 57 2HD2 LEU 57 9.736 5.958 3.716 451 3HD2 LEU 57 1HD2 LEU 57 11.055 5.589 4.833 452 H PHE 58 HN PHE 58 12.811 1.780 0.869 453 HA PHE 58 HA PHE 58 12.087 3.095 -1.687 454 1HB PHE 58 HB2 PHE 58 13.302 0.411 -1.125 455 2HB PHE 58 HB1 PHE 58 12.384 0.697 -2.579 456 HD1 PHE 58 HD1 PHE 58 13.224 2.605 -4.082 457 HD2 PHE 58 HD2 PHE 58 15.554 0.764 -1.061 458 HE1 PHE 58 HE1 PHE 58 15.277 3.340 -5.234 459 HE2 PHE 58 HE2 PHE 58 17.608 1.483 -2.194 460 HZ PHE 58 HZ PHE 58 17.475 2.772 -4.287 461 H ARG 59 HN ARG 59 10.292 2.229 -2.760 462 HA ARG 59 HA ARG 59 8.810 0.162 -1.357 463 1HB ARG 59 HB2 ARG 59 6.647 1.272 -1.874 464 2HB ARG 59 HB1 ARG 59 7.641 2.175 -0.735 465 1HG ARG 59 HG2 ARG 59 8.314 3.656 -2.542 466 2HG ARG 59 HG1 ARG 59 7.280 2.725 -3.645 467 1HD ARG 59 HD2 ARG 59 6.316 4.775 -2.816 468 2HD ARG 59 HD1 ARG 59 5.326 3.353 -2.479 469 HE ARG 59 HE ARG 59 6.781 3.589 -0.197 470 1HH1 ARG 59 1HH1 ARG 59 4.904 6.030 -1.879 471 2HH1 ARG 59 2HH1 ARG 59 4.440 6.846 -0.459 472 1HH2 ARG 59 1HH2 ARG 59 6.182 4.568 1.641 473 2HH2 ARG 59 2HH2 ARG 59 5.215 5.995 1.687 474 H LYS 60 HN LYS 60 7.729 -1.211 -2.590 475 HA LYS 60 HA LYS 60 7.870 -0.934 -5.492 476 1HB LYS 60 HB2 LYS 60 9.736 -2.320 -4.859 477 2HB LYS 60 HB1 LYS 60 8.709 -3.332 -3.840 478 1HG LYS 60 HG2 LYS 60 9.105 -4.575 -5.758 479 2HG LYS 60 HG1 LYS 60 7.512 -3.877 -6.039 480 1HD LYS 60 HD2 LYS 60 8.770 -3.651 -8.061 481 2HD LYS 60 HD1 LYS 60 8.648 -2.053 -7.329 482 1HE LYS 60 HE2 LYS 60 10.876 -2.054 -6.616 483 2HE LYS 60 HE1 LYS 60 11.065 -3.779 -6.839 484 1HZ LYS 60 HZ1 LYS 60 10.606 -1.823 -9.018 485 2HZ LYS 60 HZ3 LYS 60 12.085 -2.573 -8.655 486 3HZ LYS 60 HZ2 LYS 60 10.799 -3.476 -9.203 487 H GLN 61 HN GLN 61 5.928 -1.212 -6.202 488 HA GLN 61 HA GLN 61 4.053 -2.767 -4.633 489 1HB GLN 61 HB2 GLN 61 2.334 -1.066 -5.373 490 2HB GLN 61 HB1 GLN 61 3.598 -0.529 -4.257 491 1HG GLN 61 HG2 GLN 61 4.824 0.436 -6.067 492 2HG GLN 61 HG1 GLN 61 3.511 -0.029 -7.171 493 1HE2 GLN 61 1HE2 GLN 61 4.550 2.013 -4.624 494 2HE2 GLN 61 2HE2 GLN 61 3.294 3.187 -4.698 495 H MET 62 HN MET 62 2.600 -3.971 -5.789 496 HA MET 62 HA MET 62 3.345 -4.329 -8.592 497 1HB MET 62 HB2 MET 62 2.901 -6.416 -6.471 498 2HB MET 62 HB1 MET 62 2.702 -6.797 -8.170 499 1HG MET 62 HG2 MET 62 4.877 -7.496 -7.482 500 2HG MET 62 HG1 MET 62 5.055 -6.122 -8.557 501 1HE MET 62 HE3 MET 62 5.502 -7.540 -4.941 502 2HE MET 62 HE2 MET 62 5.937 -6.118 -4.011 503 3HE MET 62 HE1 MET 62 4.275 -6.316 -4.598 504 H ASP 63 HN ASP 63 1.725 -5.274 -9.935 505 HA ASP 63 HA ASP 63 -0.857 -4.171 -9.259 506 1HB ASP 63 HB2 ASP 63 -0.012 -3.585 -11.466 507 2HB ASP 63 HB1 ASP 63 0.202 -5.277 -11.876 508 H ASP 64 HN ASP 64 -0.998 -5.774 -7.611 509 HA ASP 64 HA ASP 64 -2.984 -7.653 -8.292 510 1HB ASP 64 HB2 ASP 64 -0.923 -9.043 -8.806 511 2HB ASP 64 HB1 ASP 64 -0.430 -8.832 -7.132 512 H ILE 65 HN ILE 65 -3.982 -8.419 -6.395 513 HA ILE 65 HA ILE 65 -3.811 -6.390 -4.433 514 HB ILE 65 HB ILE 65 -5.696 -7.670 -3.294 515 1HG1 ILE 65 2HG1 ILE 65 -5.660 -9.083 -5.978 516 2HG1 ILE 65 1HG1 ILE 65 -5.333 -9.842 -4.426 517 1HG2 ILE 65 2HG2 ILE 65 -5.907 -6.401 -5.989 518 2HG2 ILE 65 1HG2 ILE 65 -7.317 -6.788 -4.978 519 3HG2 ILE 65 3HG2 ILE 65 -6.095 -5.653 -4.414 520 1HD1 ILE 65 2HD1 ILE 65 -7.945 -8.628 -5.293 521 2HD1 ILE 65 1HD1 ILE 65 -7.565 -10.351 -5.224 522 3HD1 ILE 65 3HD1 ILE 65 -7.630 -9.403 -3.741 523 H SER 66 HN SER 66 -3.585 -9.937 -3.751 524 HA SER 66 HA SER 66 -1.284 -10.065 -2.392 525 1HB SER 66 HB2 SER 66 -1.860 -9.906 0.001 526 2HB SER 66 HB1 SER 66 -2.352 -8.383 -0.737 527 HG SER 66 HG SER 66 -4.049 -9.010 0.491 528 HA PRO 67 HA PRO 67 -3.132 -14.157 -2.383 529 1HB PRO 67 HB2 PRO 67 -2.019 -15.054 0.137 530 2HB PRO 67 HB1 PRO 67 -1.551 -15.525 -1.491 531 1HG PRO 67 HG2 PRO 67 -0.030 -14.007 0.226 532 2HG PRO 67 HG1 PRO 67 0.187 -14.046 -1.534 533 1HD PRO 67 HD2 PRO 67 -1.053 -11.983 0.199 534 2HD PRO 67 HD1 PRO 67 -0.252 -11.802 -1.374 535 H LEU 68 HN LEU 68 -3.375 -12.244 0.477 536 HA LEU 68 HA LEU 68 -5.270 -13.982 1.773 537 1HB LEU 68 HB2 LEU 68 -3.371 -12.345 2.750 538 2HB LEU 68 HB1 LEU 68 -4.739 -11.262 2.831 539 HG LEU 68 HG LEU 68 -4.313 -12.399 4.980 540 1HD1 LEU 68 3HD1 LEU 68 -6.612 -11.721 4.456 541 2HD1 LEU 68 2HD1 LEU 68 -6.883 -13.302 3.719 542 3HD1 LEU 68 1HD1 LEU 68 -6.565 -13.186 5.444 543 1HD2 LEU 68 1HD2 LEU 68 -3.395 -14.478 4.034 544 2HD2 LEU 68 3HD2 LEU 68 -4.646 -14.774 5.237 545 3HD2 LEU 68 2HD2 LEU 68 -5.027 -14.954 3.533 546 H SER 69 HN SER 69 -5.361 -10.968 -0.064 547 HA SER 69 HA SER 69 -8.019 -10.329 0.634 548 1HB SER 69 HB2 SER 69 -7.871 -8.922 -1.493 549 2HB SER 69 HB1 SER 69 -6.695 -8.579 -0.222 550 HG SER 69 HG SER 69 -5.143 -9.483 -1.353 551 H LYS 70 HN LYS 70 -6.670 -12.523 -1.646 552 HA LYS 70 HA LYS 70 -9.075 -12.929 -3.113 553 1HB LYS 70 HB2 LYS 70 -6.653 -14.719 -2.862 554 2HB LYS 70 HB1 LYS 70 -7.860 -14.758 -4.146 555 1HG LYS 70 HG2 LYS 70 -7.231 -12.576 -4.892 556 2HG LYS 70 HG1 LYS 70 -6.134 -12.381 -3.533 557 1HD LYS 70 HD2 LYS 70 -4.852 -14.334 -4.447 558 2HD LYS 70 HD1 LYS 70 -5.858 -14.212 -5.905 559 1HE LYS 70 HE2 LYS 70 -5.218 -11.827 -6.067 560 2HE LYS 70 HE1 LYS 70 -4.151 -12.050 -4.712 561 1HZ LYS 70 HZ2 LYS 70 -2.869 -13.668 -5.983 562 2HZ LYS 70 HZ1 LYS 70 -3.838 -13.388 -7.348 563 3HZ LYS 70 HZ3 LYS 70 -2.884 -12.143 -6.694 564 H VAL 71 HN VAL 71 -7.862 -14.045 -0.088 565 HA VAL 71 HA VAL 71 -9.752 -16.271 -0.076 566 HB VAL 71 HB VAL 71 -8.638 -17.236 1.789 567 1HG1 VAL 71 1HG1 VAL 71 -7.279 -17.314 -0.207 568 2HG1 VAL 71 3HG1 VAL 71 -6.485 -15.821 0.328 569 3HG1 VAL 71 2HG1 VAL 71 -6.312 -17.295 1.279 570 1HG2 VAL 71 3HG2 VAL 71 -8.578 -15.309 3.296 571 2HG2 VAL 71 2HG2 VAL 71 -7.011 -16.124 3.238 572 3HG2 VAL 71 1HG2 VAL 71 -7.267 -14.625 2.337 573 H ASN 72 HN ASN 72 -9.035 -13.340 1.671 574 HA ASN 72 HA ASN 72 -11.706 -13.436 2.898 575 1HB ASN 72 HB2 ASN 72 -9.921 -13.177 4.562 576 2HB ASN 72 HB1 ASN 72 -9.242 -11.825 3.676 577 1HD2 ASN 72 1HD2 ASN 72 -11.749 -12.871 5.791 578 2HD2 ASN 72 2HD2 ASN 72 -12.339 -11.315 6.237 579 H GLY 73 HN GLY 73 -9.605 -10.728 2.185 580 1HA GLY 73 HA1 GLY 73 -10.615 -9.830 -0.193 581 2HA GLY 73 HA2 GLY 73 -9.879 -8.807 1.019 582 H TYR 74 HN TYR 74 -11.180 -7.546 2.411 583 HA TYR 74 HA TYR 74 -13.954 -7.228 1.643 584 1HB TYR 74 HB2 TYR 74 -12.774 -7.750 4.359 585 2HB TYR 74 HB1 TYR 74 -14.124 -6.646 4.194 586 HD1 TYR 74 HD1 TYR 74 -13.256 -10.116 2.982 587 HD2 TYR 74 HD2 TYR 74 -16.133 -7.527 4.720 588 HE1 TYR 74 HE1 TYR 74 -14.816 -12.000 3.226 589 HE2 TYR 74 HE2 TYR 74 -17.696 -9.361 4.950 590 HH TYR 74 HH TYR 74 -18.112 -11.595 3.959 591 H ILE 75 HN ILE 75 -14.029 -5.359 0.959 592 HA ILE 75 HA ILE 75 -12.181 -3.309 1.832 593 HB ILE 75 HB ILE 75 -14.287 -3.585 -0.207 594 1HG1 ILE 75 2HG1 ILE 75 -11.399 -2.892 -0.521 595 2HG1 ILE 75 1HG1 ILE 75 -12.052 -4.525 -0.573 596 1HG2 ILE 75 1HG2 ILE 75 -14.444 -1.217 0.623 597 2HG2 ILE 75 3HG2 ILE 75 -12.707 -1.015 0.404 598 3HG2 ILE 75 2HG2 ILE 75 -13.753 -1.204 -0.998 599 1HD1 ILE 75 2HD1 ILE 75 -13.377 -3.852 -2.559 600 2HD1 ILE 75 1HD1 ILE 75 -12.644 -2.255 -2.480 601 3HD1 ILE 75 3HD1 ILE 75 -11.643 -3.669 -2.817 602 H GLY 76 HN GLY 76 -12.675 -2.063 3.442 603 1HA GLY 76 HA1 GLY 76 -14.042 -2.131 5.466 604 2HA GLY 76 HA2 GLY 76 -15.429 -2.114 4.375 605 H VAL 77 HN VAL 77 -16.340 -0.345 4.074 606 HA VAL 77 HA VAL 77 -14.756 2.051 4.392 607 HB VAL 77 HB VAL 77 -17.270 1.651 2.793 608 1HG1 VAL 77 3HG1 VAL 77 -15.620 4.139 3.158 609 2HG1 VAL 77 2HG1 VAL 77 -16.927 3.941 1.988 610 3HG1 VAL 77 1HG1 VAL 77 -17.268 3.868 3.722 611 1HG2 VAL 77 3HG2 VAL 77 -14.402 2.034 2.018 612 2HG2 VAL 77 2HG2 VAL 77 -15.445 0.668 1.664 613 3HG2 VAL 77 1HG2 VAL 77 -15.730 2.213 0.869 614 H SER 78 HN SER 78 -15.289 3.462 5.819 615 HA SER 78 HA SER 78 -17.335 2.620 7.720 616 1HB SER 78 HB2 SER 78 -15.142 4.661 8.094 617 2HB SER 78 HB1 SER 78 -16.093 3.843 9.337 618 HG SER 78 HG SER 78 -15.063 1.964 7.887 619 H ASP 79 HN ASP 79 -18.313 4.666 8.889 620 HA ASP 79 HA ASP 79 -20.229 5.766 7.326 621 1HB ASP 79 HB2 ASP 79 -19.110 7.107 9.770 622 2HB ASP 79 HB1 ASP 79 -20.763 7.091 9.181 623 H ASN 80 HN ASN 80 -17.131 7.175 8.131 624 HA ASN 80 HA ASN 80 -17.789 9.667 6.794 625 1HB ASN 80 HB2 ASN 80 -15.346 8.766 8.320 626 2HB ASN 80 HB1 ASN 80 -15.402 10.293 7.455 627 1HD2 ASN 80 1HD2 ASN 80 -16.581 8.509 10.168 628 2HD2 ASN 80 2HD2 ASN 80 -17.288 9.832 11.013 629 H GLY 81 HN GLY 81 -17.417 6.990 5.427 630 1HA GLY 81 HA1 GLY 81 -16.365 8.041 3.024 631 2HA GLY 81 HA2 GLY 81 -16.896 6.391 3.313 632 H VAL 82 HN VAL 82 -15.243 5.903 5.429 633 HA VAL 82 HA VAL 82 -12.521 6.380 4.637 634 HB VAL 82 HB VAL 82 -13.461 4.357 6.684 635 1HG1 VAL 82 2HG1 VAL 82 -10.927 5.945 6.404 636 2HG1 VAL 82 1HG1 VAL 82 -11.303 4.849 7.740 637 3HG1 VAL 82 3HG1 VAL 82 -11.130 4.221 6.100 638 1HG2 VAL 82 3HG2 VAL 82 -14.530 6.533 7.098 639 2HG2 VAL 82 2HG2 VAL 82 -13.377 6.127 8.379 640 3HG2 VAL 82 1HG2 VAL 82 -12.954 7.299 7.123 641 H ILE 83 HN ILE 83 -11.687 5.417 3.036 642 HA ILE 83 HA ILE 83 -12.841 3.114 1.763 643 HB ILE 83 HB ILE 83 -10.542 4.839 0.723 644 1HG1 ILE 83 2HG1 ILE 83 -12.466 6.233 1.099 645 2HG1 ILE 83 1HG1 ILE 83 -12.342 5.930 -0.631 646 1HG2 ILE 83 3HG2 ILE 83 -12.446 2.965 -0.733 647 2HG2 ILE 83 2HG2 ILE 83 -11.223 3.974 -1.510 648 3HG2 ILE 83 1HG2 ILE 83 -10.739 2.657 -0.438 649 1HD1 ILE 83 2HD1 ILE 83 -14.159 4.514 1.285 650 2HD1 ILE 83 1HD1 ILE 83 -14.660 5.781 0.147 651 3HD1 ILE 83 3HD1 ILE 83 -14.077 4.216 -0.446 652 H SER 84 HN SER 84 -11.865 2.124 3.966 653 HA SER 84 HA SER 84 -9.037 1.371 3.475 654 1HB SER 84 HB2 SER 84 -10.701 1.069 5.965 655 2HB SER 84 HB1 SER 84 -8.951 0.848 5.815 656 HG SER 84 HG SER 84 -10.134 3.180 4.967 657 H THR 85 HN THR 85 -8.494 -0.907 4.071 658 HA THR 85 HA THR 85 -10.747 -2.637 3.490 659 HB THR 85 HB THR 85 -9.041 -4.328 2.738 660 HG1 THR 85 HG1 THR 85 -6.992 -3.344 2.153 661 1HG2 THR 85 2HG2 THR 85 -9.050 -1.688 1.270 662 2HG2 THR 85 1HG2 THR 85 -8.600 -3.250 0.579 663 3HG2 THR 85 3HG2 THR 85 -10.251 -2.969 1.125 664 H PHE 86 HN PHE 86 -10.891 -4.607 4.634 665 HA PHE 86 HA PHE 86 -9.453 -4.634 7.141 666 1HB PHE 86 HB2 PHE 86 -12.467 -4.726 6.823 667 2HB PHE 86 HB1 PHE 86 -11.645 -5.229 8.285 668 HD1 PHE 86 HD1 PHE 86 -12.003 -2.304 6.039 669 HD2 PHE 86 HD2 PHE 86 -11.368 -3.724 9.962 670 HE1 PHE 86 HE1 PHE 86 -12.244 0.008 6.900 671 HE2 PHE 86 HE2 PHE 86 -11.579 -1.435 10.849 672 HZ PHE 86 HZ PHE 86 -12.017 0.435 9.313 673 H HIS 87 HN HIS 87 -10.197 -6.817 8.271 674 HA HIS 87 HA HIS 87 -10.678 -8.802 6.197 675 1HB HIS 87 HB2 HIS 87 -9.037 -9.113 8.727 676 2HB HIS 87 HB1 HIS 87 -9.552 -10.469 7.733 677 HD1 HIS 87 HD1 HIS 87 -8.893 -9.356 4.928 678 HD2 HIS 87 HD2 HIS 87 -6.396 -8.974 8.224 679 HE1 HIS 87 HE1 HIS 87 -6.548 -9.074 4.008 680 H GLY 88 HN GLY 88 -12.699 -9.103 6.246 681 1HA GLY 88 HA1 GLY 88 -13.962 -9.865 8.796 682 2HA GLY 88 HA2 GLY 88 -14.524 -10.343 7.194 683 H ARG 89 HN ARG 89 -16.389 -9.337 8.724 684 HA ARG 89 HA ARG 89 -17.421 -7.090 7.391 685 1HB ARG 89 HB2 ARG 89 -18.100 -8.182 10.112 686 2HB ARG 89 HB1 ARG 89 -19.063 -6.980 9.275 687 1HG ARG 89 HG2 ARG 89 -18.496 -9.701 8.123 688 2HG ARG 89 HG1 ARG 89 -19.847 -9.407 9.206 689 1HD ARG 89 HD2 ARG 89 -20.879 -7.934 7.635 690 2HD ARG 89 HD1 ARG 89 -19.480 -7.877 6.596 691 HE ARG 89 HE ARG 89 -20.048 -10.504 6.720 692 1HH1 ARG 89 1HH1 ARG 89 -22.225 -7.790 6.094 693 2HH1 ARG 89 2HH1 ARG 89 -23.048 -8.599 4.826 694 1HH2 ARG 89 1HH2 ARG 89 -21.208 -11.574 4.989 695 2HH2 ARG 89 2HH2 ARG 89 -22.467 -10.754 4.206 696 HA PRO 90 HA PRO 90 -14.927 -4.080 9.529 697 1HB PRO 90 HB2 PRO 90 -15.792 -1.915 8.118 698 2HB PRO 90 HB1 PRO 90 -14.544 -3.029 7.554 699 1HG PRO 90 HG2 PRO 90 -17.397 -2.831 6.767 700 2HG PRO 90 HG1 PRO 90 -15.998 -3.336 5.811 701 1HD PRO 90 HD2 PRO 90 -17.861 -5.027 6.939 702 2HD PRO 90 HD1 PRO 90 -16.241 -5.512 6.427 703 H GLU 91 HN GLU 91 -15.603 -3.828 11.422 704 HA GLU 91 HA GLU 91 -17.819 -1.995 11.989 705 1HB GLU 91 HB2 GLU 91 -17.852 -3.119 14.257 706 2HB GLU 91 HB1 GLU 91 -18.224 -4.223 12.947 707 1HG GLU 91 HG2 GLU 91 -15.928 -5.024 12.978 708 2HG GLU 91 HG1 GLU 91 -15.598 -3.908 14.322 709 HA PRO 92 HA PRO 92 -14.648 0.701 13.504 710 1HB PRO 92 HB2 PRO 92 -15.570 1.574 15.959 711 2HB PRO 92 HB1 PRO 92 -16.091 2.230 14.405 712 1HG PRO 92 HG2 PRO 92 -17.465 0.341 16.223 713 2HG PRO 92 HG1 PRO 92 -18.152 1.519 15.100 714 1HD PRO 92 HD2 PRO 92 -17.976 -1.226 14.671 715 2HD PRO 92 HD1 PRO 92 -18.207 -0.010 13.384 716 H ALA 93 HN ALA 93 -15.544 -1.937 15.487 717 HA ALA 93 HA ALA 93 -13.090 -1.759 17.041 718 1HB ALA 93 HB1 ALA 93 -15.154 -2.331 18.225 719 2HB ALA 93 HB2 ALA 93 -13.987 -3.649 18.314 720 3HB ALA 93 HB3 ALA 93 -15.352 -3.748 17.198 721 H SER 94 HN SER 94 -13.675 -2.644 14.033 722 HA SER 94 HA SER 94 -12.374 -5.246 14.065 723 1HB SER 94 HB2 SER 94 -14.161 -4.651 12.362 724 2HB SER 94 HB1 SER 94 -13.027 -3.509 11.656 725 HG SER 94 HG SER 94 -13.138 -6.256 11.495 726 H GLU 95 HN GLU 95 -10.608 -5.144 12.009 727 HA GLU 95 HA GLU 95 -8.594 -3.318 13.113 728 1HB GLU 95 HB2 GLU 95 -8.186 -6.059 11.937 729 2HB GLU 95 HB1 GLU 95 -6.899 -4.984 12.469 730 1HG GLU 95 HG2 GLU 95 -7.828 -5.010 14.717 731 2HG GLU 95 HG1 GLU 95 -9.063 -6.154 14.192 732 HA PRO 96 HA PRO 96 -8.732 -1.758 8.887 733 1HB PRO 96 HB2 PRO 96 -7.047 0.367 9.967 734 2HB PRO 96 HB1 PRO 96 -8.653 0.489 9.248 735 1HG PRO 96 HG2 PRO 96 -8.156 0.885 11.881 736 2HG PRO 96 HG1 PRO 96 -9.707 0.294 11.250 737 1HD PRO 96 HD2 PRO 96 -7.518 -1.240 12.613 738 2HD PRO 96 HD1 PRO 96 -9.276 -1.449 12.661 739 H ILE 97 HN ILE 97 -7.288 -2.226 7.411 740 HA ILE 97 HA ILE 97 -4.651 -3.137 8.199 741 HB ILE 97 HB ILE 97 -5.876 -2.967 5.418 742 1HG1 ILE 97 2HG1 ILE 97 -5.769 -5.377 7.241 743 2HG1 ILE 97 1HG1 ILE 97 -7.167 -4.317 7.132 744 1HG2 ILE 97 2HG2 ILE 97 -3.428 -3.225 5.416 745 2HG2 ILE 97 1HG2 ILE 97 -3.572 -4.621 6.486 746 3HG2 ILE 97 3HG2 ILE 97 -4.219 -4.698 4.846 747 1HD1 ILE 97 3HD1 ILE 97 -5.999 -5.897 4.847 748 2HD1 ILE 97 2HD1 ILE 97 -7.445 -6.308 5.793 749 3HD1 ILE 97 1HD1 ILE 97 -7.429 -4.855 4.806 750 H GLN 98 HN GLN 98 -6.138 -0.440 6.513 751 HA GLN 98 HA GLN 98 -3.999 1.257 7.026 752 1HB GLN 98 HB2 GLN 98 -3.219 1.781 4.827 753 2HB GLN 98 HB1 GLN 98 -3.141 0.045 4.983 754 1HG GLN 98 HG2 GLN 98 -4.895 1.733 3.251 755 2HG GLN 98 HG1 GLN 98 -3.900 0.344 2.832 756 1HE2 GLN 98 1HE2 GLN 98 -4.646 -1.518 3.992 757 2HE2 GLN 98 2HE2 GLN 98 -6.336 -1.994 3.836 758 H SER 99 HN SER 99 -4.730 3.372 5.298 759 HA SER 99 HA SER 99 -7.542 3.180 4.945 760 1HB SER 99 HB2 SER 99 -6.253 5.474 6.458 761 2HB SER 99 HB1 SER 99 -7.950 5.405 5.977 762 HG SER 99 HG SER 99 -7.756 3.237 7.133 763 H PHE 100 HN PHE 100 -7.752 3.644 2.787 764 HA PHE 100 HA PHE 100 -5.701 5.010 1.382 765 1HB PHE 100 HB2 PHE 100 -8.393 4.004 0.483 766 2HB PHE 100 HB1 PHE 100 -7.297 4.853 -0.598 767 HD1 PHE 100 HD1 PHE 100 -5.127 3.843 -1.189 768 HD2 PHE 100 HD2 PHE 100 -8.025 1.722 1.086 769 HE1 PHE 100 HE1 PHE 100 -3.984 1.728 -1.714 770 HE2 PHE 100 HE2 PHE 100 -6.886 -0.398 0.569 771 HZ PHE 100 HZ PHE 100 -4.861 -0.394 -0.835 772 H PHE 101 HN PHE 101 -9.151 5.998 1.824 773 HA PHE 101 HA PHE 101 -8.396 8.774 1.954 774 1HB PHE 101 HB2 PHE 101 -8.327 8.071 -0.539 775 2HB PHE 101 HB1 PHE 101 -10.058 7.835 -0.414 776 HD1 PHE 101 HD1 PHE 101 -7.385 10.373 -0.078 777 HD2 PHE 101 HD2 PHE 101 -11.514 9.647 -0.779 778 HE1 PHE 101 HE1 PHE 101 -7.690 12.736 -0.695 779 HE2 PHE 101 HE2 PHE 101 -11.827 12.013 -1.388 780 HZ PHE 101 HZ PHE 101 -9.916 13.556 -1.351 781 H GLN 102 HN GLN 102 -10.642 10.083 2.000 782 HA GLN 102 HA GLN 102 -12.809 8.395 2.945 783 1HB GLN 102 HB2 GLN 102 -11.616 10.772 4.299 784 2HB GLN 102 HB1 GLN 102 -13.325 10.404 4.493 785 1HG GLN 102 HG2 GLN 102 -12.842 8.263 5.333 786 2HG GLN 102 HG1 GLN 102 -11.117 8.430 5.108 787 1HE2 GLN 102 1HE2 GLN 102 -13.315 10.913 6.329 788 2HE2 GLN 102 2HE2 GLN 102 -12.698 10.903 7.942 789 H ILE 103 HN ILE 103 -14.824 9.003 2.479 790 HA ILE 103 HA ILE 103 -15.294 11.358 0.766 791 HB ILE 103 HB ILE 103 -16.479 9.985 -1.007 792 1HG1 ILE 103 2HG1 ILE 103 -15.561 7.606 0.626 793 2HG1 ILE 103 1HG1 ILE 103 -17.210 8.212 0.626 794 1HG2 ILE 103 1HG2 ILE 103 -14.144 10.425 -1.336 795 2HG2 ILE 103 3HG2 ILE 103 -13.735 8.943 -0.472 796 3HG2 ILE 103 2HG2 ILE 103 -14.630 8.861 -1.991 797 1HD1 ILE 103 1HD1 ILE 103 -17.348 7.803 -1.750 798 2HD1 ILE 103 3HD1 ILE 103 -15.723 7.107 -1.732 799 3HD1 ILE 103 2HD1 ILE 103 -17.047 6.337 -0.820 800 H ASP 104 HN ASP 104 -17.765 11.643 0.434 801 HA ASP 104 HA ASP 104 -19.053 11.176 2.963 802 1HB ASP 104 HB2 ASP 104 -19.600 12.807 0.579 803 2HB ASP 104 HB1 ASP 104 -21.017 12.309 1.514 804 H LEU 105 HN LEU 105 -19.965 9.304 3.371 805 HA LEU 105 HA LEU 105 -20.915 7.578 1.321 806 1HB LEU 105 HB2 LEU 105 -21.443 7.536 4.283 807 2HB LEU 105 HB1 LEU 105 -22.067 6.353 3.169 808 HG LEU 105 HG LEU 105 -19.314 6.713 4.211 809 1HD1 LEU 105 2HD1 LEU 105 -21.122 4.400 3.640 810 2HD1 LEU 105 1HD1 LEU 105 -19.533 4.261 4.411 811 3HD1 LEU 105 3HD1 LEU 105 -20.854 5.123 5.224 812 1HD2 LEU 105 2HD2 LEU 105 -20.062 5.512 1.574 813 2HD2 LEU 105 1HD2 LEU 105 -18.909 6.798 1.853 814 3HD2 LEU 105 3HD2 LEU 105 -18.535 5.151 2.394 815 H GLU 106 HN GLU 106 -22.278 10.013 3.319 816 HA GLU 106 HA GLU 106 -24.984 9.533 2.783 817 1HB GLU 106 HB2 GLU 106 -25.299 11.949 3.283 818 2HB GLU 106 HB1 GLU 106 -24.374 11.085 4.503 819 1HG GLU 106 HG2 GLU 106 -22.335 12.002 3.709 820 2HG GLU 106 HG1 GLU 106 -23.124 12.713 2.309 821 H ARG 107 HN ARG 107 -22.468 10.830 0.772 822 HA ARG 107 HA ARG 107 -24.412 11.829 -1.136 823 1HB ARG 107 HB2 ARG 107 -22.736 13.138 -2.005 824 2HB ARG 107 HB1 ARG 107 -22.016 12.831 -0.435 825 1HG ARG 107 HG2 ARG 107 -20.698 11.016 -1.408 826 2HG ARG 107 HG1 ARG 107 -21.424 11.416 -2.975 827 1HD ARG 107 HD2 ARG 107 -19.639 13.203 -1.285 828 2HD ARG 107 HD1 ARG 107 -19.222 12.443 -2.810 829 HE ARG 107 HE ARG 107 -21.493 14.103 -3.044 830 1HH1 ARG 107 1HH1 ARG 107 -17.969 14.228 -2.832 831 2HH1 ARG 107 2HH1 ARG 107 -17.825 15.697 -3.700 832 1HH2 ARG 107 1HH2 ARG 107 -21.300 16.122 -4.188 833 2HH2 ARG 107 2HH2 ARG 107 -19.763 16.807 -4.478 834 H LEU 108 HN LEU 108 -22.639 9.046 -0.430 835 HA LEU 108 HA LEU 108 -22.524 7.754 -2.933 836 1HB LEU 108 HB2 LEU 108 -22.453 6.795 -0.162 837 2HB LEU 108 HB1 LEU 108 -23.141 5.648 -1.302 838 HG LEU 108 HG LEU 108 -21.219 6.045 -2.676 839 1HD1 LEU 108 2HD1 LEU 108 -20.406 8.050 -1.446 840 2HD1 LEU 108 1HD1 LEU 108 -19.972 6.914 -0.142 841 3HD1 LEU 108 3HD1 LEU 108 -19.161 6.792 -1.701 842 1HD2 LEU 108 1HD2 LEU 108 -21.470 4.021 -1.544 843 2HD2 LEU 108 3HD2 LEU 108 -19.767 4.460 -1.558 844 3HD2 LEU 108 2HD2 LEU 108 -20.720 4.677 -0.089 845 H GLU 109 HN GLU 109 -23.787 6.166 -3.871 846 HA GLU 109 HA GLU 109 -26.604 6.756 -3.742 847 1HB GLU 109 HB2 GLU 109 -25.116 4.758 -5.449 848 2HB GLU 109 HB1 GLU 109 -26.809 5.188 -5.624 849 1HG GLU 109 HG2 GLU 109 -26.153 7.486 -6.177 850 2HG GLU 109 HG1 GLU 109 -24.458 7.025 -6.028 851 H SER 110 HN SER 110 -27.254 6.051 -1.829 852 HA SER 110 HA SER 110 -27.674 4.739 -0.058 853 1HB SER 110 HB2 SER 110 -29.707 4.825 -1.392 854 2HB SER 110 HB1 SER 110 -29.227 3.360 -2.248 855 HG SER 110 HG SER 110 -29.662 3.565 0.540 856 H HIS 111 HN HIS 111 -27.674 1.963 -2.275 857 HA HIS 111 HA HIS 111 -26.711 0.371 -0.119 858 1HB HIS 111 HB2 HIS 111 -27.015 -1.558 -1.506 859 2HB HIS 111 HB1 HIS 111 -28.378 -0.487 -1.782 860 HD1 HIS 111 HD1 HIS 111 -26.207 -2.606 -3.598 861 HD2 HIS 111 HD2 HIS 111 -27.741 1.194 -4.274 862 HE1 HIS 111 HE1 HIS 111 -25.968 -2.187 -6.063 863 H MET 112 HN MET 112 -25.103 2.030 -2.583 864 HA MET 112 HA MET 112 -22.828 0.458 -2.967 865 1HB MET 112 HB2 MET 112 -23.213 3.444 -2.917 866 2HB MET 112 HB1 MET 112 -21.616 2.763 -3.141 867 1HG MET 112 HG2 MET 112 -23.990 2.206 -4.900 868 2HG MET 112 HG1 MET 112 -22.729 3.387 -5.246 869 1HE MET 112 HE2 MET 112 -20.142 2.730 -5.562 870 2HE MET 112 HE1 MET 112 -20.135 1.788 -4.081 871 3HE MET 112 HE3 MET 112 -19.543 1.073 -5.580 872 H GLN 113 HN GLN 113 -23.310 2.971 -0.575 873 HA GLN 113 HA GLN 113 -20.918 2.515 0.838 874 1HB GLN 113 HB2 GLN 113 -22.505 3.498 2.785 875 2HB GLN 113 HB1 GLN 113 -21.630 4.520 1.641 876 1HG GLN 113 HG2 GLN 113 -23.492 5.138 0.679 877 2HG GLN 113 HG1 GLN 113 -24.138 3.514 0.770 878 1HE2 GLN 113 1HE2 GLN 113 -23.884 6.549 2.196 879 2HE2 GLN 113 2HE2 GLN 113 -24.950 6.302 3.537 880 H LYS 114 HN LYS 114 -24.197 1.374 1.323 881 HA LYS 114 HA LYS 114 -23.911 0.051 3.743 882 1HB LYS 114 HB2 LYS 114 -25.637 -0.724 1.398 883 2HB LYS 114 HB1 LYS 114 -25.863 -1.253 3.053 884 1HG LYS 114 HG2 LYS 114 -25.972 1.629 2.208 885 2HG LYS 114 HG1 LYS 114 -27.381 0.580 2.255 886 1HD LYS 114 HD2 LYS 114 -25.609 1.228 4.623 887 2HD LYS 114 HD1 LYS 114 -27.151 2.005 4.271 888 1HE LYS 114 HE2 LYS 114 -28.253 -0.194 4.406 889 2HE LYS 114 HE1 LYS 114 -26.715 -0.917 4.857 890 1HZ LYS 114 HZ1 LYS 114 -26.695 0.543 6.829 891 2HZ LYS 114 HZ3 LYS 114 -28.204 1.144 6.384 892 3HZ LYS 114 HZ2 LYS 114 -28.027 -0.474 6.811 893 H ASN 115 HN ASN 115 -23.172 -0.999 0.475 894 HA ASN 115 HA ASN 115 -22.652 -3.710 1.136 895 1HB ASN 115 HB2 ASN 115 -22.118 -2.014 -1.286 896 2HB ASN 115 HB1 ASN 115 -21.485 -3.656 -1.175 897 1HD2 ASN 115 1HD2 ASN 115 -22.868 -3.968 -3.067 898 2HD2 ASN 115 2HD2 ASN 115 -24.538 -4.354 -2.811 899 H LEU 116 HN LEU 116 -20.771 -0.840 0.937 900 HA LEU 116 HA LEU 116 -18.248 -2.111 1.313 901 1HB LEU 116 HB2 LEU 116 -19.075 0.735 1.841 902 2HB LEU 116 HB1 LEU 116 -17.445 0.095 1.649 903 HG LEU 116 HG LEU 116 -19.466 0.007 -0.596 904 1HD1 LEU 116 3HD1 LEU 116 -19.134 2.307 0.062 905 2HD1 LEU 116 2HD1 LEU 116 -17.391 2.097 -0.084 906 3HD1 LEU 116 1HD1 LEU 116 -18.419 1.939 -1.502 907 1HD2 LEU 116 1HD2 LEU 116 -17.569 -1.549 -0.722 908 2HD2 LEU 116 3HD2 LEU 116 -17.494 -0.298 -1.961 909 3HD2 LEU 116 2HD2 LEU 116 -16.458 -0.192 -0.536 910 H LEU 117 HN LEU 117 -20.751 -0.807 3.389 911 HA LEU 117 HA LEU 117 -19.439 -0.868 5.883 912 1HB LEU 117 HB2 LEU 117 -22.348 -1.492 5.398 913 2HB LEU 117 HB1 LEU 117 -21.629 -0.973 6.900 914 HG LEU 117 HG LEU 117 -22.017 0.668 4.413 915 1HD1 LEU 117 3HD1 LEU 117 -24.030 0.239 5.765 916 2HD1 LEU 117 2HD1 LEU 117 -23.189 0.920 7.154 917 3HD1 LEU 117 1HD1 LEU 117 -23.548 1.940 5.767 918 1HD2 LEU 117 1HD2 LEU 117 -20.775 1.458 7.035 919 2HD2 LEU 117 3HD2 LEU 117 -19.954 1.305 5.469 920 3HD2 LEU 117 2HD2 LEU 117 -21.206 2.531 5.692 921 H LYS 118 HN LYS 118 -21.179 -3.396 4.063 922 HA LYS 118 HA LYS 118 -20.977 -5.458 6.005 923 1HB LYS 118 HB2 LYS 118 -20.956 -5.615 3.020 924 2HB LYS 118 HB1 LYS 118 -21.363 -6.910 4.128 925 1HG LYS 118 HG2 LYS 118 -23.385 -5.885 4.701 926 2HG LYS 118 HG1 LYS 118 -22.899 -4.380 3.900 927 1HD LYS 118 HD2 LYS 118 -22.845 -5.538 1.752 928 2HD LYS 118 HD1 LYS 118 -23.193 -7.044 2.563 929 1HE LYS 118 HE2 LYS 118 -25.169 -6.293 1.495 930 2HE LYS 118 HE1 LYS 118 -25.392 -6.088 3.234 931 1HZ LYS 118 HZ1 LYS 118 -24.909 -3.706 2.928 932 2HZ LYS 118 HZ3 LYS 118 -24.813 -3.947 1.237 933 3HZ LYS 118 HZ2 LYS 118 -26.234 -4.247 2.046 934 H GLY 119 HN GLY 119 -19.018 -4.127 3.500 935 1HA GLY 119 HA1 GLY 119 -16.775 -5.827 4.157 936 2HA GLY 119 HA2 GLY 119 -16.785 -4.428 3.069 937 H ILE 120 HN ILE 120 -16.302 -5.209 1.136 938 HA ILE 120 HA ILE 120 -18.199 -6.885 -0.176 939 HB ILE 120 HB ILE 120 -15.413 -6.352 -1.256 940 1HG1 ILE 120 2HG1 ILE 120 -16.288 -4.171 -0.612 941 2HG1 ILE 120 1HG1 ILE 120 -16.392 -4.327 -2.364 942 1HG2 ILE 120 3HG2 ILE 120 -16.818 -7.982 -2.450 943 2HG2 ILE 120 2HG2 ILE 120 -18.096 -6.789 -2.577 944 3HG2 ILE 120 1HG2 ILE 120 -16.570 -6.531 -3.433 945 1HD1 ILE 120 3HD1 ILE 120 -18.785 -4.913 -2.095 946 2HD1 ILE 120 2HD1 ILE 120 -18.577 -4.632 -0.364 947 3HD1 ILE 120 1HD1 ILE 120 -18.389 -3.286 -1.491 948 HA PRO 121 HA PRO 121 -16.388 -10.627 1.371 949 1HB PRO 121 HB2 PRO 121 -18.160 -12.366 0.396 950 2HB PRO 121 HB1 PRO 121 -18.594 -11.213 1.662 951 1HG PRO 121 HG2 PRO 121 -19.156 -11.070 -1.281 952 2HG PRO 121 HG1 PRO 121 -20.216 -10.666 0.070 953 1HD PRO 121 HD2 PRO 121 -18.813 -8.831 -1.385 954 2HD PRO 121 HD1 PRO 121 -19.366 -8.599 0.287 955 H PHE 122 HN PHE 122 -15.904 -9.591 -1.600 956 HA PHE 122 HA PHE 122 -14.046 -11.561 -2.303 957 1HB PHE 122 HB2 PHE 122 -14.999 -12.410 -4.431 958 2HB PHE 122 HB1 PHE 122 -15.988 -12.881 -3.062 959 HD1 PHE 122 HD1 PHE 122 -18.199 -11.904 -2.755 960 HD2 PHE 122 HD2 PHE 122 -15.836 -10.949 -6.152 961 HE1 PHE 122 HE1 PHE 122 -20.197 -11.000 -3.889 962 HE2 PHE 122 HE2 PHE 122 -17.816 -10.045 -7.291 963 HZ PHE 122 HZ PHE 122 -19.999 -10.068 -6.162 964 H ARG 123 HN ARG 123 -12.540 -10.668 -3.535 965 HA ARG 123 HA ARG 123 -13.202 -8.541 -5.329 966 1HB ARG 123 HB2 ARG 123 -11.514 -6.983 -4.291 967 2HB ARG 123 HB1 ARG 123 -12.996 -7.193 -3.370 968 1HG ARG 123 HG2 ARG 123 -11.807 -8.867 -1.972 969 2HG ARG 123 HG1 ARG 123 -10.325 -8.451 -2.827 970 1HD ARG 123 HD2 ARG 123 -12.000 -6.395 -1.455 971 2HD ARG 123 HD1 ARG 123 -10.812 -7.331 -0.570 972 HE ARG 123 HE ARG 123 -10.174 -5.551 -2.829 973 1HH1 ARG 123 1HH1 ARG 123 -9.343 -7.034 0.294 974 2HH1 ARG 123 2HH1 ARG 123 -7.932 -6.147 0.533 975 1HH2 ARG 123 1HH2 ARG 123 -8.213 -4.132 -2.368 976 2HH2 ARG 123 2HH2 ARG 123 -7.410 -4.390 -0.909 977 H THR 124 HN THR 124 -11.911 -8.562 -6.963 978 HA THR 124 HA THR 124 -9.353 -9.946 -6.724 979 HB THR 124 HB THR 124 -10.946 -9.456 -9.297 980 HG1 THR 124 HG1 THR 124 -12.203 -10.734 -8.142 981 1HG2 THR 124 3HG2 THR 124 -8.719 -11.403 -8.638 982 2HG2 THR 124 2HG2 THR 124 -9.556 -11.269 -10.193 983 3HG2 THR 124 1HG2 THR 124 -8.570 -9.931 -9.602 984 H LYS 125 HN LYS 125 -7.718 -8.792 -8.525 985 HA LYS 125 HA LYS 125 -7.018 -6.446 -7.550 986 1HB LYS 125 HB2 LYS 125 -5.928 -8.330 -8.781 987 2HB LYS 125 HB1 LYS 125 -6.553 -7.642 -10.255 988 1HG LYS 125 HG2 LYS 125 -4.808 -6.292 -8.317 989 2HG LYS 125 HG1 LYS 125 -4.295 -7.211 -9.757 990 1HD LYS 125 HD2 LYS 125 -6.108 -4.847 -9.858 991 2HD LYS 125 HD1 LYS 125 -4.341 -4.794 -9.918 992 1HE LYS 125 HE2 LYS 125 -4.451 -6.371 -11.844 993 2HE LYS 125 HE1 LYS 125 -6.209 -6.158 -11.854 994 1HZ LYS 125 HZ2 LYS 125 -5.728 -3.726 -12.127 995 2HZ LYS 125 HZ1 LYS 125 -4.121 -4.138 -12.318 996 3HZ LYS 125 HZ3 LYS 125 -5.253 -4.656 -13.463 997 H ALA 126 HN ALA 126 -8.507 -7.134 -10.638 998 HA ALA 126 HA ALA 126 -8.803 -4.491 -11.524 999 1HB ALA 126 HB2 ALA 126 -10.317 -5.413 -13.207 1000 2HB ALA 126 HB1 ALA 126 -8.869 -6.409 -12.986 1001 3HB ALA 126 HB3 ALA 126 -10.396 -6.917 -12.275 1002 H GLU 127 HN GLU 127 -10.791 -6.392 -9.426 1003 HA GLU 127 HA GLU 127 -13.137 -4.754 -9.779 1004 1HB GLU 127 HB2 GLU 127 -12.717 -6.613 -7.479 1005 2HB GLU 127 HB1 GLU 127 -14.207 -6.217 -8.329 1006 1HG GLU 127 HG2 GLU 127 -12.982 -7.367 -10.371 1007 2HG GLU 127 HG1 GLU 127 -11.982 -7.946 -9.095 1008 H PHE 128 HN PHE 128 -10.457 -5.016 -7.598 1009 HA PHE 128 HA PHE 128 -11.343 -3.292 -5.566 1010 1HB PHE 128 HB2 PHE 128 -9.453 -4.623 -5.104 1011 2HB PHE 128 HB1 PHE 128 -8.630 -4.114 -6.568 1012 HD1 PHE 128 HD1 PHE 128 -9.639 -3.053 -3.205 1013 HD2 PHE 128 HD2 PHE 128 -7.336 -2.168 -6.635 1014 HE1 PHE 128 HE1 PHE 128 -8.443 -1.311 -1.924 1015 HE2 PHE 128 HE2 PHE 128 -6.105 -0.409 -5.378 1016 HZ PHE 128 HZ PHE 128 -6.681 0.024 -3.019 1017 H GLU 129 HN GLU 129 -9.306 -2.648 -8.407 1018 HA GLU 129 HA GLU 129 -9.281 0.119 -7.930 1019 1HB GLU 129 HB2 GLU 129 -8.480 0.234 -10.353 1020 2HB GLU 129 HB1 GLU 129 -7.495 -0.688 -9.225 1021 1HG GLU 129 HG2 GLU 129 -8.432 -2.742 -10.034 1022 2HG GLU 129 HG1 GLU 129 -9.509 -1.859 -11.105 1023 H ASP 130 HN ASP 130 -11.543 -1.943 -9.434 1024 HA ASP 130 HA ASP 130 -13.034 -0.023 -10.930 1025 1HB ASP 130 HB2 ASP 130 -13.285 -2.414 -11.321 1026 2HB ASP 130 HB1 ASP 130 -13.848 -2.638 -9.686 1027 H VAL 131 HN VAL 131 -13.492 -1.444 -7.762 1028 HA VAL 131 HA VAL 131 -15.666 0.315 -7.177 1029 HB VAL 131 HB VAL 131 -15.598 -1.857 -6.032 1030 1HG1 VAL 131 1HG1 VAL 131 -13.220 -2.146 -5.906 1031 2HG1 VAL 131 3HG1 VAL 131 -13.118 -0.904 -4.658 1032 3HG1 VAL 131 2HG1 VAL 131 -13.989 -2.409 -4.338 1033 1HG2 VAL 131 2HG2 VAL 131 -16.746 -0.073 -4.847 1034 2HG2 VAL 131 1HG2 VAL 131 -15.954 -1.192 -3.724 1035 3HG2 VAL 131 3HG2 VAL 131 -15.223 0.375 -4.065 1036 H ILE 132 HN ILE 132 -12.240 0.388 -6.488 1037 HA ILE 132 HA ILE 132 -12.322 2.642 -4.834 1038 HB ILE 132 HB ILE 132 -10.237 1.002 -6.067 1039 1HG1 ILE 132 2HG1 ILE 132 -9.158 1.280 -3.878 1040 2HG1 ILE 132 1HG1 ILE 132 -10.333 2.510 -3.445 1041 1HG2 ILE 132 1HG2 ILE 132 -9.544 3.063 -7.091 1042 2HG2 ILE 132 3HG2 ILE 132 -9.535 3.875 -5.526 1043 3HG2 ILE 132 2HG2 ILE 132 -8.384 2.573 -5.852 1044 1HD1 ILE 132 3HD1 ILE 132 -10.923 -0.389 -3.997 1045 2HD1 ILE 132 2HD1 ILE 132 -10.856 0.372 -2.407 1046 3HD1 ILE 132 1HD1 ILE 132 -12.109 0.839 -3.562 1047 H GLU 133 HN GLU 133 -12.049 2.391 -8.353 1048 HA GLU 133 HA GLU 133 -11.514 5.133 -8.708 1049 1HB GLU 133 HB2 GLU 133 -12.077 4.835 -11.046 1050 2HB GLU 133 HB1 GLU 133 -11.166 3.440 -10.503 1051 1HG GLU 133 HG2 GLU 133 -13.133 2.156 -10.345 1052 2HG GLU 133 HG1 GLU 133 -14.142 3.554 -10.719 1053 H HIS 134 HN HIS 134 -14.389 3.355 -8.060 1054 HA HIS 134 HA HIS 134 -16.162 5.473 -8.830 1055 1HB HIS 134 HB2 HIS 134 -16.706 2.957 -8.794 1056 2HB HIS 134 HB1 HIS 134 -16.849 3.131 -7.050 1057 HD1 HIS 134 HD1 HIS 134 -18.633 3.879 -10.249 1058 HD2 HIS 134 HD2 HIS 134 -19.097 4.579 -6.182 1059 HE1 HIS 134 HE1 HIS 134 -21.018 4.578 -9.939 1060 H MET 135 HN MET 135 -14.732 4.234 -5.908 1061 HA MET 135 HA MET 135 -15.926 5.940 -3.990 1062 1HB MET 135 HB2 MET 135 -13.086 4.898 -3.994 1063 2HB MET 135 HB1 MET 135 -13.918 5.574 -2.614 1064 1HG MET 135 HG2 MET 135 -14.664 3.015 -4.025 1065 2HG MET 135 HG1 MET 135 -13.728 3.119 -2.547 1066 1HE MET 135 HE2 MET 135 -17.193 2.767 -4.116 1067 2HE MET 135 HE1 MET 135 -18.288 3.503 -2.956 1068 3HE MET 135 HE3 MET 135 -17.272 4.527 -3.971 1069 H LYS 136 HN LYS 136 -12.969 6.361 -5.875 1070 HA LYS 136 HA LYS 136 -12.473 8.960 -4.853 1071 1HB LYS 136 HB2 LYS 136 -10.703 9.165 -6.546 1072 2HB LYS 136 HB1 LYS 136 -10.609 7.661 -5.644 1073 1HG LYS 136 HG2 LYS 136 -11.631 6.488 -7.443 1074 2HG LYS 136 HG1 LYS 136 -11.774 7.969 -8.389 1075 1HD LYS 136 HD2 LYS 136 -9.839 6.643 -9.113 1076 2HD LYS 136 HD1 LYS 136 -9.341 8.187 -8.423 1077 1HE LYS 136 HE2 LYS 136 -8.742 7.138 -6.355 1078 2HE LYS 136 HE1 LYS 136 -9.406 5.596 -6.882 1079 1HZ LYS 136 HZ2 LYS 136 -7.672 5.550 -8.605 1080 2HZ LYS 136 HZ1 LYS 136 -7.049 7.007 -8.040 1081 3HZ LYS 136 HZ3 LYS 136 -6.996 5.627 -7.071 1082 H THR 137 HN THR 137 -14.538 7.788 -7.268 1083 HA THR 137 HA THR 137 -14.669 10.085 -8.874 1084 HB THR 137 HB THR 137 -15.757 7.528 -8.941 1085 HG1 THR 137 HG1 THR 137 -15.791 9.730 -10.609 1086 1HG2 THR 137 3HG2 THR 137 -18.059 9.488 -8.686 1087 2HG2 THR 137 2HG2 THR 137 -18.201 7.825 -9.286 1088 3HG2 THR 137 1HG2 THR 137 -17.671 8.129 -7.628 1089 H TYR 138 HN TYR 138 -15.960 9.327 -5.653 1090 HA TYR 138 HA TYR 138 -17.719 11.597 -5.676 1091 1HB TYR 138 HB2 TYR 138 -16.758 9.742 -3.489 1092 2HB TYR 138 HB1 TYR 138 -17.936 11.016 -3.251 1093 HD1 TYR 138 HD1 TYR 138 -20.124 10.838 -4.468 1094 HD2 TYR 138 HD2 TYR 138 -17.387 7.616 -4.231 1095 HE1 TYR 138 HE1 TYR 138 -21.959 9.262 -4.959 1096 HE2 TYR 138 HE2 TYR 138 -19.183 6.026 -4.728 1097 HH TYR 138 HH TYR 138 -22.190 6.986 -5.891 1098 H SER 139 HN SER 139 -14.850 10.462 -3.992 1099 HA SER 139 HA SER 139 -13.167 11.388 -2.907 1100 1HB SER 139 HB2 SER 139 -11.916 13.122 -4.147 1101 2HB SER 139 HB1 SER 139 -12.350 11.706 -5.097 1102 HG SER 139 HG SER 139 -14.330 13.370 -5.403 1103 H GLY 140 HN GLY 140 -15.890 12.547 -2.071 1104 1HA GLY 140 HA1 GLY 140 -16.041 15.073 -1.610 1105 2HA GLY 140 HA2 GLY 140 -14.742 14.586 -0.501 No H/Q in entry = 1105 Start of MODEL 15 1 H1 ALA 1 HT2 ALA 1 35.956 2.531 -13.641 2 H2 ALA 1 HT1 ALA 1 36.970 3.785 -13.172 3 H3 ALA 1 HT3 ALA 1 37.099 3.144 -14.740 4 HA ALA 1 HA ALA 1 37.854 1.073 -13.927 5 1HB ALA 1 HB3 ALA 1 39.557 2.835 -14.242 6 2HB ALA 1 HB1 ALA 1 39.997 1.701 -12.965 7 3HB ALA 1 HB2 ALA 1 39.371 3.291 -12.548 8 H GLU 2 HN GLU 2 36.794 3.276 -11.358 9 HA GLU 2 HA GLU 2 35.948 2.956 -9.349 10 1HB GLU 2 HB2 GLU 2 35.827 0.009 -10.076 11 2HB GLU 2 HB1 GLU 2 35.130 0.690 -8.625 12 1HG GLU 2 HG2 GLU 2 33.352 0.345 -10.154 13 2HG GLU 2 HG1 GLU 2 33.643 2.078 -10.119 14 H VAL 3 HN VAL 3 36.427 2.091 -7.171 15 HA VAL 3 HA VAL 3 39.235 1.269 -7.013 16 HB VAL 3 HB VAL 3 39.356 2.245 -4.781 17 1HG1 VAL 3 2HG1 VAL 3 39.942 3.671 -6.622 18 2HG1 VAL 3 1HG1 VAL 3 38.271 4.214 -6.772 19 3HG1 VAL 3 3HG1 VAL 3 39.205 4.619 -5.327 20 1HG2 VAL 3 3HG2 VAL 3 36.496 3.131 -5.198 21 2HG2 VAL 3 2HG2 VAL 3 37.071 1.916 -4.056 22 3HG2 VAL 3 1HG2 VAL 3 37.529 3.608 -3.845 23 H GLU 4 HN GLU 4 39.717 -0.106 -5.092 24 HA GLU 4 HA GLU 4 37.530 -1.968 -4.743 25 1HB GLU 4 HB2 GLU 4 39.315 -3.626 -4.228 26 2HB GLU 4 HB1 GLU 4 39.432 -2.876 -5.824 27 1HG GLU 4 HG2 GLU 4 41.239 -1.485 -5.113 28 2HG GLU 4 HG1 GLU 4 41.091 -2.079 -3.461 29 H HIS 5 HN HIS 5 36.446 -1.600 -2.896 30 HA HIS 5 HA HIS 5 38.171 -1.151 -0.651 31 1HB HIS 5 HB2 HIS 5 36.261 -0.241 0.668 32 2HB HIS 5 HB1 HIS 5 36.887 0.785 -0.597 33 HD1 HIS 5 HD1 HIS 5 33.739 -0.708 0.683 34 HD2 HIS 5 HD2 HIS 5 35.117 0.984 -2.864 35 HE1 HIS 5 HE1 HIS 5 31.704 -0.006 -0.596 36 H TYR 6 HN TYR 6 38.028 -2.054 1.166 37 HA TYR 6 HA TYR 6 37.323 -4.848 0.856 38 1HB TYR 6 HB2 TYR 6 38.964 -3.483 2.991 39 2HB TYR 6 HB1 TYR 6 38.959 -5.193 2.570 40 HD1 TYR 6 HD1 TYR 6 40.278 -6.014 0.699 41 HD2 TYR 6 HD2 TYR 6 40.019 -1.830 1.464 42 HE1 TYR 6 HE1 TYR 6 42.106 -5.596 -0.905 43 HE2 TYR 6 HE2 TYR 6 41.846 -1.416 -0.120 44 HH TYR 6 HH TYR 6 42.878 -3.708 -2.326 45 H GLU 7 HN GLU 7 36.355 -2.023 2.436 46 HA GLU 7 HA GLU 7 34.867 -3.405 4.505 47 1HB GLU 7 HB2 GLU 7 35.120 -0.481 3.806 48 2HB GLU 7 HB1 GLU 7 34.188 -1.113 5.153 49 1HG GLU 7 HG2 GLU 7 36.231 -1.984 6.162 50 2HG GLU 7 HG1 GLU 7 37.166 -1.368 4.799 51 HA PRO 8 HA PRO 8 31.470 -3.290 1.532 52 1HB PRO 8 HB2 PRO 8 29.881 -4.787 3.354 53 2HB PRO 8 HB1 PRO 8 30.621 -5.358 1.868 54 1HG PRO 8 HG2 PRO 8 31.380 -6.199 4.401 55 2HG PRO 8 HG1 PRO 8 32.387 -6.318 2.954 56 1HD PRO 8 HD2 PRO 8 32.496 -4.348 5.179 57 2HD PRO 8 HD1 PRO 8 33.800 -5.018 4.169 58 H LEU 9 HN LEU 9 29.148 -2.747 1.828 59 HA LEU 9 HA LEU 9 28.930 -0.647 3.893 60 1HB LEU 9 HB2 LEU 9 28.501 -0.491 1.100 61 2HB LEU 9 HB1 LEU 9 26.934 -0.676 1.783 62 HG LEU 9 HG LEU 9 27.524 1.713 1.440 63 1HD1 LEU 9 1HD1 LEU 9 26.948 0.872 4.275 64 2HD1 LEU 9 3HD1 LEU 9 26.764 2.504 3.644 65 3HD1 LEU 9 2HD1 LEU 9 25.768 1.209 3.000 66 1HD2 LEU 9 1HD2 LEU 9 29.899 1.563 2.043 67 2HD2 LEU 9 3HD2 LEU 9 29.049 2.799 2.973 68 3HD2 LEU 9 2HD2 LEU 9 29.430 1.255 3.724 69 H GLN 10 HN GLN 10 27.736 -1.293 5.571 70 HA GLN 10 HA GLN 10 25.778 -3.363 5.219 71 1HB GLN 10 HB2 GLN 10 26.831 -1.892 7.608 72 2HB GLN 10 HB1 GLN 10 25.421 -2.936 7.741 73 1HG GLN 10 HG2 GLN 10 26.775 -4.767 6.926 74 2HG GLN 10 HG1 GLN 10 28.193 -3.718 6.860 75 1HE2 GLN 10 1HE2 GLN 10 27.757 -6.174 8.365 76 2HE2 GLN 10 2HE2 GLN 10 28.003 -5.781 10.022 77 H VAL 11 HN VAL 11 24.073 -2.700 4.212 78 HA VAL 11 HA VAL 11 22.922 -0.059 4.823 79 HB VAL 11 HB VAL 11 21.968 -1.744 2.589 80 1HG1 VAL 11 2HG1 VAL 11 20.787 0.241 3.048 81 2HG1 VAL 11 1HG1 VAL 11 22.257 1.213 2.903 82 3HG1 VAL 11 3HG1 VAL 11 21.596 0.384 1.491 83 1HG2 VAL 11 1HG2 VAL 11 24.532 -0.161 2.407 84 2HG2 VAL 11 3HG2 VAL 11 24.318 -1.908 2.230 85 3HG2 VAL 11 2HG2 VAL 11 23.627 -0.820 1.033 86 H HIS 12 HN HIS 12 21.171 -0.145 6.083 87 HA HIS 12 HA HIS 12 19.444 -2.497 5.939 88 1HB HIS 12 HB2 HIS 12 19.506 -0.142 7.815 89 2HB HIS 12 HB1 HIS 12 18.204 -1.340 7.772 90 HD1 HIS 12 HD1 HIS 12 18.482 -2.637 9.896 91 HD2 HIS 12 HD2 HIS 12 22.108 -1.983 7.977 92 HE1 HIS 12 HE1 HIS 12 20.210 -3.910 11.213 93 H VAL 13 HN VAL 13 18.110 -2.334 4.271 94 HA VAL 13 HA VAL 13 17.003 0.283 3.608 95 HB VAL 13 HB VAL 13 16.338 -0.664 1.503 96 1HG1 VAL 13 1HG1 VAL 13 19.178 -1.273 2.185 97 2HG1 VAL 13 3HG1 VAL 13 18.523 -1.170 0.557 98 3HG1 VAL 13 2HG1 VAL 13 18.521 0.263 1.607 99 1HG2 VAL 13 1HG2 VAL 13 15.885 -2.940 2.160 100 2HG2 VAL 13 3HG2 VAL 13 17.002 -2.898 0.791 101 3HG2 VAL 13 2HG2 VAL 13 17.618 -3.215 2.416 102 H GLN 14 HN GLN 14 15.063 0.725 3.713 103 HA GLN 14 HA GLN 14 13.224 -1.317 4.743 104 1HB GLN 14 HB2 GLN 14 13.398 0.804 6.080 105 2HB GLN 14 HB1 GLN 14 12.824 1.694 4.674 106 1HG GLN 14 HG2 GLN 14 10.721 0.462 4.743 107 2HG GLN 14 HG1 GLN 14 11.292 -0.453 6.132 108 1HE2 GLN 14 1HE2 GLN 14 10.065 2.552 5.002 109 2HE2 GLN 14 2HE2 GLN 14 9.782 3.272 6.535 110 H LEU 15 HN LEU 15 12.096 -2.242 3.219 111 HA LEU 15 HA LEU 15 11.792 -0.816 0.701 112 1HB LEU 15 HB2 LEU 15 11.495 -3.737 1.359 113 2HB LEU 15 HB1 LEU 15 11.378 -3.044 -0.239 114 HG LEU 15 HG LEU 15 13.833 -3.188 1.492 115 1HD1 LEU 15 3HD1 LEU 15 13.119 -4.599 -1.065 116 2HD1 LEU 15 2HD1 LEU 15 14.678 -4.683 -0.247 117 3HD1 LEU 15 1HD1 LEU 15 13.241 -5.325 0.538 118 1HD2 LEU 15 2HD2 LEU 15 13.494 -2.025 -1.274 119 2HD2 LEU 15 1HD2 LEU 15 13.853 -1.127 0.203 120 3HD2 LEU 15 3HD2 LEU 15 15.033 -2.266 -0.443 121 H GLU 16 HN GLU 16 9.955 0.130 0.443 122 HA GLU 16 HA GLU 16 7.539 -0.817 1.824 123 1HB GLU 16 HB2 GLU 16 7.983 1.635 0.125 124 2HB GLU 16 HB1 GLU 16 6.529 1.259 1.016 125 1HG GLU 16 HG2 GLU 16 7.674 1.586 3.101 126 2HG GLU 16 HG1 GLU 16 9.209 1.838 2.260 127 H LYS 17 HN LYS 17 5.762 -1.458 0.608 128 HA LYS 17 HA LYS 17 6.118 -1.459 -2.300 129 1HB LYS 17 HB2 LYS 17 5.092 -3.765 -0.652 130 2HB LYS 17 HB1 LYS 17 4.941 -3.658 -2.392 131 1HG LYS 17 HG2 LYS 17 7.396 -3.625 -2.574 132 2HG LYS 17 HG1 LYS 17 7.499 -3.829 -0.822 133 1HD LYS 17 HD2 LYS 17 6.272 -5.923 -0.985 134 2HD LYS 17 HD1 LYS 17 6.127 -5.713 -2.726 135 1HE LYS 17 HE2 LYS 17 8.559 -5.785 -2.937 136 2HE LYS 17 HE1 LYS 17 8.693 -6.004 -1.197 137 1HZ LYS 17 HZ3 LYS 17 7.483 -8.087 -1.397 138 2HZ LYS 17 HZ2 LYS 17 7.353 -7.867 -3.074 139 3HZ LYS 17 HZ1 LYS 17 8.858 -8.098 -2.380 140 H VAL 18 HN VAL 18 4.595 -0.146 -3.045 141 HA VAL 18 HA VAL 18 2.159 0.062 -1.478 142 HB VAL 18 HB VAL 18 2.734 1.705 -3.983 143 1HG1 VAL 18 2HG1 VAL 18 0.489 1.747 -3.220 144 2HG1 VAL 18 1HG1 VAL 18 1.015 2.287 -1.625 145 3HG1 VAL 18 3HG1 VAL 18 1.272 3.317 -3.037 146 1HG2 VAL 18 1HG2 VAL 18 4.662 1.995 -2.522 147 2HG2 VAL 18 3HG2 VAL 18 3.695 3.457 -2.611 148 3HG2 VAL 18 2HG2 VAL 18 3.603 2.428 -1.172 149 H TYR 19 HN TYR 19 0.869 -1.558 -1.890 150 HA TYR 19 HA TYR 19 0.547 -2.650 -4.557 151 1HB TYR 19 HB2 TYR 19 -0.816 -3.241 -1.928 152 2HB TYR 19 HB1 TYR 19 -1.198 -4.064 -3.429 153 HD1 TYR 19 HD1 TYR 19 1.597 -3.436 -1.045 154 HD2 TYR 19 HD2 TYR 19 -0.031 -5.965 -4.030 155 HE1 TYR 19 HE1 TYR 19 3.273 -5.134 -0.510 156 HE2 TYR 19 HE2 TYR 19 1.609 -7.669 -3.514 157 HH TYR 19 HH TYR 19 3.474 -7.587 -0.700 158 H LEU 20 HN LEU 20 -1.915 -3.011 -5.148 159 HA LEU 20 HA LEU 20 -3.107 -0.437 -5.427 160 1HB LEU 20 HB2 LEU 20 -4.312 -3.174 -5.808 161 2HB LEU 20 HB1 LEU 20 -5.060 -1.676 -6.303 162 HG LEU 20 HG LEU 20 -2.498 -2.792 -7.429 163 1HD1 LEU 20 3HD1 LEU 20 -4.455 -4.150 -7.946 164 2HD1 LEU 20 2HD1 LEU 20 -5.289 -2.719 -8.552 165 3HD1 LEU 20 1HD1 LEU 20 -3.848 -3.316 -9.378 166 1HD2 LEU 20 1HD2 LEU 20 -4.211 -0.455 -8.288 167 2HD2 LEU 20 3HD2 LEU 20 -2.606 -0.351 -7.561 168 3HD2 LEU 20 2HD2 LEU 20 -2.808 -1.078 -9.155 169 H ASP 21 HN ASP 21 -3.688 -3.269 -3.581 170 HA ASP 21 HA ASP 21 -6.033 -2.965 -2.260 171 1HB ASP 21 HB2 ASP 21 -4.891 -4.961 -2.049 172 2HB ASP 21 HB1 ASP 21 -3.435 -4.179 -1.453 173 H GLY 22 HN GLY 22 -2.973 -1.535 -1.268 174 1HA GLY 22 HA1 GLY 22 -4.469 -0.274 0.916 175 2HA GLY 22 HA2 GLY 22 -3.273 0.621 0.000 176 H ASP 23 HN ASP 23 -2.980 -2.729 1.022 177 HA ASP 23 HA ASP 23 -1.371 -2.193 3.257 178 1HB ASP 23 HB2 ASP 23 -2.419 -4.403 2.859 179 2HB ASP 23 HB1 ASP 23 -1.333 -4.653 1.497 180 H VAL 24 HN VAL 24 0.472 -1.236 3.267 181 HA VAL 24 HA VAL 24 2.230 -1.546 0.971 182 HB VAL 24 HB VAL 24 2.644 0.243 3.397 183 1HG1 VAL 24 2HG1 VAL 24 4.680 -0.288 2.235 184 2HG1 VAL 24 1HG1 VAL 24 3.971 0.239 0.711 185 3HG1 VAL 24 3HG1 VAL 24 4.261 1.410 1.999 186 1HG2 VAL 24 1HG2 VAL 24 0.616 0.951 2.221 187 2HG2 VAL 24 3HG2 VAL 24 1.912 2.126 1.991 188 3HG2 VAL 24 2HG2 VAL 24 1.509 0.991 0.702 189 H SER 25 HN SER 25 3.544 -3.152 1.114 190 HA SER 25 HA SER 25 3.999 -4.470 3.629 191 1HB SER 25 HB2 SER 25 3.710 -5.689 1.434 192 2HB SER 25 HB1 SER 25 5.274 -5.046 0.943 193 HG SER 25 HG SER 25 4.622 -7.013 2.777 194 H ILE 26 HN ILE 26 5.329 -3.746 5.000 195 HA ILE 26 HA ILE 26 7.630 -2.194 4.155 196 HB ILE 26 HB ILE 26 6.491 -2.689 6.915 197 1HG1 ILE 26 2HG1 ILE 26 4.951 -1.347 5.640 198 2HG1 ILE 26 1HG1 ILE 26 5.761 -0.303 6.806 199 1HG2 ILE 26 3HG2 ILE 26 8.892 -2.222 6.996 200 2HG2 ILE 26 2HG2 ILE 26 8.641 -0.762 6.034 201 3HG2 ILE 26 1HG2 ILE 26 7.970 -0.870 7.661 202 1HD1 ILE 26 1HD1 ILE 26 7.227 0.500 5.000 203 2HD1 ILE 26 3HD1 ILE 26 6.326 -0.526 3.871 204 3HD1 ILE 26 2HD1 ILE 26 5.513 0.807 4.694 205 H GLU 27 HN GLU 27 9.291 -3.315 3.760 206 HA GLU 27 HA GLU 27 9.848 -5.792 5.238 207 1HB GLU 27 HB2 GLU 27 9.429 -6.101 2.888 208 2HB GLU 27 HB1 GLU 27 10.585 -4.858 2.473 209 1HG GLU 27 HG2 GLU 27 11.670 -6.874 2.056 210 2HG GLU 27 HG1 GLU 27 12.313 -6.292 3.572 211 H HIS 28 HN HIS 28 11.982 -6.096 5.896 212 HA HIS 28 HA HIS 28 13.704 -3.708 5.871 213 1HB HIS 28 HB2 HIS 28 13.446 -5.712 8.141 214 2HB HIS 28 HB1 HIS 28 14.519 -4.320 8.115 215 HD1 HIS 28 HD1 HIS 28 11.982 -5.042 10.104 216 HD2 HIS 28 HD2 HIS 28 12.275 -2.099 7.200 217 HE1 HIS 28 HE1 HIS 28 10.283 -3.291 10.721 218 H LYS 29 HN LYS 29 15.497 -4.114 4.793 219 HA LYS 29 HA LYS 29 16.530 -6.879 4.728 220 1HB LYS 29 HB2 LYS 29 16.432 -4.838 2.526 221 2HB LYS 29 HB1 LYS 29 17.333 -6.333 2.432 222 1HG LYS 29 HG2 LYS 29 14.381 -6.290 2.938 223 2HG LYS 29 HG1 LYS 29 15.082 -6.160 1.323 224 1HD LYS 29 HD2 LYS 29 15.703 -8.409 3.211 225 2HD LYS 29 HD1 LYS 29 14.402 -8.459 1.996 226 1HE LYS 29 HE2 LYS 29 16.073 -8.020 0.241 227 2HE LYS 29 HE1 LYS 29 17.350 -8.051 1.446 228 1HZ LYS 29 HZ1 LYS 29 16.753 -10.364 1.916 229 2HZ LYS 29 HZ3 LYS 29 15.589 -10.313 0.696 230 3HZ LYS 29 HZ2 LYS 29 17.225 -10.128 0.328 231 H HIS 30 HN HIS 30 18.441 -6.900 5.623 232 HA HIS 30 HA HIS 30 20.057 -4.480 5.332 233 1HB HIS 30 HB2 HIS 30 21.384 -5.140 7.355 234 2HB HIS 30 HB1 HIS 30 19.703 -4.815 7.705 235 HD1 HIS 30 HD1 HIS 30 18.389 -6.722 8.875 236 HD2 HIS 30 HD2 HIS 30 22.174 -7.864 7.575 237 HE1 HIS 30 HE1 HIS 30 18.848 -8.945 9.929 238 H GLU 31 HN GLU 31 21.558 -4.540 3.891 239 HA GLU 31 HA GLU 31 22.886 -7.134 3.507 240 1HB GLU 31 HB2 GLU 31 22.771 -6.955 1.095 241 2HB GLU 31 HB1 GLU 31 21.175 -6.851 1.820 242 1HG GLU 31 HG2 GLU 31 21.198 -4.428 1.531 243 2HG GLU 31 HG1 GLU 31 22.744 -4.575 0.685 244 H LYS 32 HN LYS 32 25.002 -7.120 2.810 245 HA LYS 32 HA LYS 32 26.329 -4.560 3.098 246 1HB LYS 32 HB2 LYS 32 27.307 -7.369 3.154 247 2HB LYS 32 HB1 LYS 32 28.401 -6.004 3.061 248 1HG LYS 32 HG2 LYS 32 27.428 -5.161 5.127 249 2HG LYS 32 HG1 LYS 32 26.476 -6.611 5.346 250 1HD LYS 32 HD2 LYS 32 29.462 -6.212 5.423 251 2HD LYS 32 HD1 LYS 32 28.429 -6.962 6.633 252 1HE LYS 32 HE2 LYS 32 29.094 -8.056 3.937 253 2HE LYS 32 HE1 LYS 32 29.846 -8.587 5.434 254 1HZ LYS 32 HZ1 LYS 32 26.928 -8.885 4.797 255 2HZ LYS 32 HZ3 LYS 32 28.079 -10.108 4.721 256 3HZ LYS 32 HZ2 LYS 32 27.696 -9.422 6.200 257 H VAL 33 HN VAL 33 26.956 -3.540 1.452 258 HA VAL 33 HA VAL 33 27.090 -4.957 -1.135 259 HB VAL 33 HB VAL 33 26.815 -1.916 -0.937 260 1HG1 VAL 33 1HG1 VAL 33 27.591 -3.012 -2.846 261 2HG1 VAL 33 3HG1 VAL 33 25.986 -3.735 -3.068 262 3HG1 VAL 33 2HG1 VAL 33 26.229 -1.952 -3.013 263 1HG2 VAL 33 3HG2 VAL 33 25.035 -3.081 0.370 264 2HG2 VAL 33 2HG2 VAL 33 24.551 -2.040 -0.947 265 3HG2 VAL 33 1HG2 VAL 33 24.518 -3.826 -1.151 266 H PHE 34 HN PHE 34 28.998 -4.700 -2.419 267 HA PHE 34 HA PHE 34 31.227 -3.740 -0.848 268 1HB PHE 34 HB2 PHE 34 31.165 -5.256 -3.426 269 2HB PHE 34 HB1 PHE 34 32.589 -4.965 -2.432 270 HD1 PHE 34 HD1 PHE 34 30.026 -7.248 -3.165 271 HD2 PHE 34 HD2 PHE 34 32.366 -5.776 0.061 272 HE1 PHE 34 HE1 PHE 34 29.519 -9.287 -1.883 273 HE2 PHE 34 HE2 PHE 34 31.884 -7.826 1.349 274 HZ PHE 34 HZ PHE 34 30.453 -9.580 0.377 275 H SER 35 HN SER 35 29.209 -2.593 -3.198 276 HA SER 35 HA SER 35 30.809 -0.204 -3.455 277 1HB SER 35 HB2 SER 35 31.513 -1.434 -5.429 278 2HB SER 35 HB1 SER 35 29.829 -1.790 -5.841 279 HG SER 35 HG SER 35 30.468 -0.103 -7.072 280 H MET 36 HN MET 36 29.381 1.396 -2.994 281 HA MET 36 HA MET 36 26.636 0.901 -2.710 282 1HB MET 36 HB2 MET 36 28.213 3.428 -2.817 283 2HB MET 36 HB1 MET 36 26.466 3.486 -2.738 284 1HG MET 36 HG2 MET 36 27.357 1.662 -0.772 285 2HG MET 36 HG1 MET 36 28.332 3.163 -0.678 286 1HE MET 36 HE2 MET 36 24.836 2.680 -1.975 287 2HE MET 36 HE1 MET 36 24.553 1.717 -0.545 288 3HE MET 36 HE3 MET 36 23.745 3.297 -0.746 289 H ASP 37 HN ASP 37 28.456 1.896 -5.350 290 HA ASP 37 HA ASP 37 26.331 2.989 -6.944 291 1HB ASP 37 HB2 ASP 37 28.710 3.439 -7.479 292 2HB ASP 37 HB1 ASP 37 28.925 1.745 -7.905 293 H ASP 38 HN ASP 38 27.539 -0.196 -6.364 294 HA ASP 38 HA ASP 38 26.105 -1.588 -8.423 295 1HB ASP 38 HB2 ASP 38 28.158 -2.406 -7.099 296 2HB ASP 38 HB1 ASP 38 27.013 -2.618 -5.769 297 H PHE 39 HN PHE 39 25.610 -0.762 -5.031 298 HA PHE 39 HA PHE 39 23.335 -2.137 -4.459 299 1HB PHE 39 HB2 PHE 39 24.581 -1.107 -2.724 300 2HB PHE 39 HB1 PHE 39 24.345 0.493 -3.415 301 HD1 PHE 39 HD1 PHE 39 22.404 1.694 -3.016 302 HD2 PHE 39 HD2 PHE 39 22.735 -2.273 -1.594 303 HE1 PHE 39 HE1 PHE 39 20.441 2.052 -1.592 304 HE2 PHE 39 HE2 PHE 39 20.783 -1.934 -0.138 305 HZ PHE 39 HZ PHE 39 19.628 0.263 -0.170 306 H TRP 40 HN TRP 40 23.864 1.172 -5.704 307 HA TRP 40 HA TRP 40 21.179 2.003 -5.755 308 1HB TRP 40 HB2 TRP 40 23.499 3.056 -7.382 309 2HB TRP 40 HB1 TRP 40 21.942 3.865 -7.214 310 HD1 TRP 40 HD1 TRP 40 25.220 4.318 -5.928 311 HE1 TRP 40 HE1 TRP 40 25.280 5.240 -3.518 312 HE3 TRP 40 HE3 TRP 40 20.359 3.487 -4.631 313 HZ2 TRP 40 HZ2 TRP 40 23.475 5.597 -1.383 314 HZ3 TRP 40 HZ3 TRP 40 19.608 4.143 -2.399 315 HH2 TRP 40 HH2 TRP 40 21.125 5.175 -0.815 316 H ALA 41 HN ALA 41 23.171 0.484 -8.138 317 HA ALA 41 HA ALA 41 21.288 0.605 -10.274 318 1HB ALA 41 HB1 ALA 41 22.656 -1.150 -11.328 319 2HB ALA 41 HB3 ALA 41 23.653 0.159 -10.698 320 3HB ALA 41 HB2 ALA 41 23.539 -1.357 -9.811 321 H ALA 42 HN ALA 42 21.864 -1.601 -7.640 322 HA ALA 42 HA ALA 42 20.235 -3.716 -8.497 323 1HB ALA 42 HB3 ALA 42 20.822 -2.892 -5.659 324 2HB ALA 42 HB2 ALA 42 20.355 -4.500 -6.227 325 3HB ALA 42 HB1 ALA 42 21.917 -3.818 -6.675 326 H TYR 43 HN TYR 43 19.486 -0.809 -6.586 327 HA TYR 43 HA TYR 43 16.667 -1.638 -6.569 328 1HB TYR 43 HB2 TYR 43 18.205 0.241 -4.792 329 2HB TYR 43 HB1 TYR 43 16.461 0.096 -4.771 330 HD1 TYR 43 HD1 TYR 43 15.373 -1.701 -3.727 331 HD2 TYR 43 HD2 TYR 43 19.603 -1.753 -4.085 332 HE1 TYR 43 HE1 TYR 43 15.465 -3.601 -2.193 333 HE2 TYR 43 HE2 TYR 43 19.699 -3.671 -2.520 334 HH TYR 43 HH TYR 43 18.432 -4.825 -0.912 335 H ALA 44 HN ALA 44 18.440 -0.055 -8.614 336 HA ALA 44 HA ALA 44 17.556 2.464 -8.929 337 1HB ALA 44 HB3 ALA 44 19.271 1.416 -10.292 338 2HB ALA 44 HB2 ALA 44 18.028 0.523 -11.173 339 3HB ALA 44 HB1 ALA 44 18.093 2.283 -11.275 340 H GLY 45 HN GLY 45 15.528 -0.294 -9.290 341 1HA GLY 45 HA1 GLY 45 13.452 -0.530 -10.388 342 2HA GLY 45 HA2 GLY 45 13.586 1.136 -10.931 343 H TRP 46 HN TRP 46 14.209 0.512 -7.596 344 HA TRP 46 HA TRP 46 11.561 1.010 -6.666 345 1HB TRP 46 HB2 TRP 46 14.245 1.088 -5.258 346 2HB TRP 46 HB1 TRP 46 12.667 1.112 -4.482 347 HD1 TRP 46 HD1 TRP 46 14.677 -1.259 -6.789 348 HE1 TRP 46 HE1 TRP 46 14.210 -3.678 -6.048 349 HE3 TRP 46 HE3 TRP 46 11.414 -0.286 -3.020 350 HZ2 TRP 46 HZ2 TRP 46 12.647 -4.985 -4.101 351 HZ3 TRP 46 HZ3 TRP 46 10.474 -2.160 -1.768 352 HH2 TRP 46 HH2 TRP 46 11.086 -4.467 -2.302 353 H THR 47 HN THR 47 11.059 2.982 -5.423 354 HA THR 47 HA THR 47 12.240 5.343 -6.548 355 HB THR 47 HB THR 47 10.034 4.909 -4.548 356 HG1 THR 47 HG1 THR 47 10.149 4.724 -7.304 357 1HG2 THR 47 1HG2 THR 47 10.938 7.146 -4.513 358 2HG2 THR 47 3HG2 THR 47 10.709 7.300 -6.261 359 3HG2 THR 47 2HG2 THR 47 9.305 7.138 -5.188 360 H LEU 48 HN LEU 48 13.955 6.207 -5.509 361 HA LEU 48 HA LEU 48 14.677 5.453 -2.847 362 1HB LEU 48 HB2 LEU 48 16.305 5.996 -4.712 363 2HB LEU 48 HB1 LEU 48 15.780 7.653 -4.632 364 HG LEU 48 HG LEU 48 18.037 7.063 -3.574 365 1HD1 LEU 48 2HD1 LEU 48 16.965 9.197 -3.134 366 2HD1 LEU 48 1HD1 LEU 48 16.066 8.475 -1.792 367 3HD1 LEU 48 3HD1 LEU 48 17.832 8.568 -1.732 368 1HD2 LEU 48 1HD2 LEU 48 17.354 5.035 -2.426 369 2HD2 LEU 48 3HD2 LEU 48 17.998 6.234 -1.302 370 3HD2 LEU 48 2HD2 LEU 48 16.260 5.978 -1.411 371 H VAL 49 HN VAL 49 13.538 6.204 -1.190 372 HA VAL 49 HA VAL 49 12.144 8.735 -1.469 373 HB VAL 49 HB VAL 49 11.922 6.612 0.727 374 1HG1 VAL 49 1HG1 VAL 49 11.433 8.860 1.602 375 2HG1 VAL 49 3HG1 VAL 49 10.260 9.096 0.306 376 3HG1 VAL 49 2HG1 VAL 49 9.992 7.849 1.525 377 1HG2 VAL 49 1HG2 VAL 49 11.052 5.909 -1.426 378 2HG2 VAL 49 3HG2 VAL 49 9.755 6.158 -0.258 379 3HG2 VAL 49 2HG2 VAL 49 10.060 7.366 -1.510 380 H GLU 50 HN GLU 50 14.444 7.173 0.771 381 HA GLU 50 HA GLU 50 15.785 9.693 1.039 382 1HB GLU 50 HB2 GLU 50 15.697 9.740 3.491 383 2HB GLU 50 HB1 GLU 50 14.073 9.851 2.821 384 1HG GLU 50 HG2 GLU 50 13.639 7.620 3.302 385 2HG GLU 50 HG1 GLU 50 15.313 7.313 3.765 386 H GLN 51 HN GLN 51 17.855 9.374 1.916 387 HA GLN 51 HA GLN 51 18.523 6.712 2.768 388 1HB GLN 51 HB2 GLN 51 20.615 6.787 1.460 389 2HB GLN 51 HB1 GLN 51 19.143 6.728 0.489 390 1HG GLN 51 HG2 GLN 51 19.343 9.022 -0.085 391 2HG GLN 51 HG1 GLN 51 20.678 9.217 1.059 392 1HE2 GLN 51 1HE2 GLN 51 19.688 7.715 -1.863 393 2HE2 GLN 51 2HE2 GLN 51 21.270 7.388 -2.501 394 H LYS 52 HN LYS 52 20.028 6.619 4.294 395 HA LYS 52 HA LYS 52 21.586 8.917 4.865 396 1HB LYS 52 HB2 LYS 52 21.149 8.367 7.413 397 2HB LYS 52 HB1 LYS 52 20.067 9.430 6.540 398 1HG LYS 52 HG2 LYS 52 18.437 7.599 6.344 399 2HG LYS 52 HG1 LYS 52 19.580 6.519 7.153 400 1HD LYS 52 HD2 LYS 52 19.485 7.743 9.185 401 2HD LYS 52 HD1 LYS 52 18.661 9.086 8.380 402 1HE LYS 52 HE2 LYS 52 17.360 6.402 8.615 403 2HE LYS 52 HE1 LYS 52 17.375 7.504 9.984 404 1HZ LYS 52 HZ2 LYS 52 16.279 9.166 8.578 405 2HZ LYS 52 HZ1 LYS 52 16.117 8.101 7.303 406 3HZ LYS 52 HZ3 LYS 52 15.369 7.800 8.776 407 H LYS 53 HN LYS 53 23.301 8.158 6.620 408 HA LYS 53 HA LYS 53 24.566 6.040 5.150 409 1HB LYS 53 HB2 LYS 53 25.620 8.202 6.252 410 2HB LYS 53 HB1 LYS 53 25.732 7.169 7.666 411 1HG LYS 53 HG2 LYS 53 26.940 6.518 4.981 412 2HG LYS 53 HG1 LYS 53 27.814 7.260 6.313 413 1HD LYS 53 HD2 LYS 53 27.498 5.286 7.665 414 2HD LYS 53 HD1 LYS 53 26.476 4.557 6.426 415 1HE LYS 53 HE2 LYS 53 28.724 3.625 6.342 416 2HE LYS 53 HE1 LYS 53 28.356 4.540 4.883 417 1HZ LYS 53 HZ3 LYS 53 29.644 6.402 5.786 418 2HZ LYS 53 HZ2 LYS 53 30.015 5.498 7.166 419 3HZ LYS 53 HZ1 LYS 53 30.583 5.012 5.661 420 H GLY 54 HN GLY 54 23.633 4.174 5.461 421 1HA GLY 54 HA1 GLY 54 23.613 3.102 8.211 422 2HA GLY 54 HA2 GLY 54 24.181 2.163 6.836 423 H TYR 55 HN TYR 55 21.423 4.257 6.302 424 HA TYR 55 HA TYR 55 19.769 1.920 6.067 425 1HB TYR 55 HB2 TYR 55 19.196 2.569 8.214 426 2HB TYR 55 HB1 TYR 55 19.434 4.268 7.876 427 HD1 TYR 55 HD1 TYR 55 17.033 1.506 7.765 428 HD2 TYR 55 HD2 TYR 55 17.829 5.506 6.782 429 HE1 TYR 55 HE1 TYR 55 14.608 1.884 7.477 430 HE2 TYR 55 HE2 TYR 55 15.465 5.982 6.485 431 HH TYR 55 HH TYR 55 13.359 4.764 6.064 432 H VAL 56 HN VAL 56 18.598 2.057 4.265 433 HA VAL 56 HA VAL 56 18.198 4.692 3.062 434 HB VAL 56 HB VAL 56 18.932 2.130 1.606 435 1HG1 VAL 56 1HG1 VAL 56 18.208 4.837 0.515 436 2HG1 VAL 56 3HG1 VAL 56 18.848 3.501 -0.437 437 3HG1 VAL 56 2HG1 VAL 56 17.272 3.351 0.349 438 1HG2 VAL 56 2HG2 VAL 56 20.868 3.337 2.593 439 2HG2 VAL 56 1HG2 VAL 56 20.893 3.337 0.823 440 3HG2 VAL 56 3HG2 VAL 56 20.369 4.771 1.686 441 H LEU 57 HN LEU 57 16.152 4.994 2.187 442 HA LEU 57 HA LEU 57 14.281 2.814 2.655 443 1HB LEU 57 HB2 LEU 57 13.772 4.469 4.225 444 2HB LEU 57 HB1 LEU 57 14.148 5.740 3.107 445 HG LEU 57 HG LEU 57 12.060 5.467 1.975 446 1HD1 LEU 57 1HD1 LEU 57 11.862 3.123 2.085 447 2HD1 LEU 57 3HD1 LEU 57 11.295 3.242 3.785 448 3HD1 LEU 57 2HD1 LEU 57 10.439 4.067 2.437 449 1HD2 LEU 57 3HD2 LEU 57 12.031 6.894 3.928 450 2HD2 LEU 57 2HD2 LEU 57 10.503 6.068 3.710 451 3HD2 LEU 57 1HD2 LEU 57 11.639 5.503 4.942 452 H PHE 58 HN PHE 58 13.530 1.943 0.944 453 HA PHE 58 HA PHE 58 13.128 3.486 -1.547 454 1HB PHE 58 HB2 PHE 58 14.194 0.729 -1.097 455 2HB PHE 58 HB1 PHE 58 13.301 1.076 -2.557 456 HD1 PHE 58 HD1 PHE 58 14.171 2.809 -4.102 457 HD2 PHE 58 HD2 PHE 58 16.447 1.278 -0.877 458 HE1 PHE 58 HE1 PHE 58 16.223 3.576 -5.206 459 HE2 PHE 58 HE2 PHE 58 18.505 2.026 -1.974 460 HZ PHE 58 HZ PHE 58 18.398 3.181 -4.145 461 H ARG 59 HN ARG 59 11.303 3.061 -2.688 462 HA ARG 59 HA ARG 59 9.496 1.065 -1.561 463 1HB ARG 59 HB2 ARG 59 7.547 2.487 -2.073 464 2HB ARG 59 HB1 ARG 59 8.618 3.218 -0.885 465 1HG ARG 59 HG2 ARG 59 9.499 4.700 -2.552 466 2HG ARG 59 HG1 ARG 59 8.497 3.909 -3.784 467 1HD ARG 59 HD2 ARG 59 7.616 6.027 -2.919 468 2HD ARG 59 HD1 ARG 59 6.503 4.665 -2.779 469 HE ARG 59 HE ARG 59 7.871 4.760 -0.364 470 1HH1 ARG 59 1HH1 ARG 59 5.808 7.105 -2.076 471 2HH1 ARG 59 2HH1 ARG 59 5.120 7.691 -0.632 472 1HH2 ARG 59 1HH2 ARG 59 6.934 5.535 1.497 473 2HH2 ARG 59 2HH2 ARG 59 5.809 6.827 1.479 474 H LYS 60 HN LYS 60 8.340 -0.062 -2.957 475 HA LYS 60 HA LYS 60 8.724 0.407 -5.836 476 1HB LYS 60 HB2 LYS 60 10.205 -1.346 -5.223 477 2HB LYS 60 HB1 LYS 60 8.979 -2.159 -4.251 478 1HG LYS 60 HG2 LYS 60 9.126 -3.450 -6.181 479 2HG LYS 60 HG1 LYS 60 7.765 -2.386 -6.530 480 1HD LYS 60 HD2 LYS 60 9.153 -2.479 -8.479 481 2HD LYS 60 HD1 LYS 60 9.355 -0.883 -7.748 482 1HE LYS 60 HE2 LYS 60 11.473 -1.391 -6.908 483 2HE LYS 60 HE1 LYS 60 11.312 -3.107 -7.153 484 1HZ LYS 60 HZ2 LYS 60 11.408 -1.096 -9.347 485 2HZ LYS 60 HZ1 LYS 60 12.671 -2.139 -8.888 486 3HZ LYS 60 HZ3 LYS 60 11.251 -2.736 -9.539 487 H GLN 61 HN GLN 61 6.730 0.674 -6.671 488 HA GLN 61 HA GLN 61 4.623 -0.779 -5.321 489 1HB GLN 61 HB2 GLN 61 3.068 1.050 -5.838 490 2HB GLN 61 HB1 GLN 61 4.411 1.483 -4.774 491 1HG GLN 61 HG2 GLN 61 5.511 2.405 -6.801 492 2HG GLN 61 HG1 GLN 61 3.913 2.245 -7.575 493 1HE2 GLN 61 1HE2 GLN 61 5.780 3.845 -5.218 494 2HE2 GLN 61 2HE2 GLN 61 4.646 5.090 -4.803 495 H MET 62 HN MET 62 3.098 -1.774 -6.417 496 HA MET 62 HA MET 62 3.704 -2.222 -9.258 497 1HB MET 62 HB2 MET 62 3.389 -4.287 -7.077 498 2HB MET 62 HB1 MET 62 3.504 -4.649 -8.792 499 1HG MET 62 HG2 MET 62 5.752 -3.894 -8.900 500 2HG MET 62 HG1 MET 62 5.644 -3.150 -7.311 501 1HE MET 62 HE1 MET 62 5.747 -4.406 -5.053 502 2HE MET 62 HE3 MET 62 4.301 -5.337 -5.447 503 3HE MET 62 HE2 MET 62 5.764 -6.143 -4.872 504 H ASP 63 HN ASP 63 1.972 -3.122 -10.413 505 HA ASP 63 HA ASP 63 -0.612 -2.385 -9.336 506 1HB ASP 63 HB2 ASP 63 -0.180 -1.557 -11.549 507 2HB ASP 63 HB1 ASP 63 0.208 -3.170 -12.130 508 H ASP 64 HN ASP 64 -0.927 -3.964 -7.885 509 HA ASP 64 HA ASP 64 -2.723 -5.881 -8.681 510 1HB ASP 64 HB2 ASP 64 -0.590 -7.170 -9.354 511 2HB ASP 64 HB1 ASP 64 -0.159 -7.178 -7.648 512 H ILE 65 HN ILE 65 -3.231 -7.250 -6.630 513 HA ILE 65 HA ILE 65 -3.189 -5.301 -4.467 514 HB ILE 65 HB ILE 65 -4.990 -6.664 -3.469 515 1HG1 ILE 65 2HG1 ILE 65 -4.626 -8.299 -5.980 516 2HG1 ILE 65 1HG1 ILE 65 -4.466 -8.845 -4.327 517 1HG2 ILE 65 2HG2 ILE 65 -5.478 -5.745 -6.300 518 2HG2 ILE 65 1HG2 ILE 65 -6.743 -6.066 -5.110 519 3HG2 ILE 65 3HG2 ILE 65 -5.579 -4.769 -4.835 520 1HD1 ILE 65 2HD1 ILE 65 -6.890 -8.559 -3.993 521 2HD1 ILE 65 1HD1 ILE 65 -7.038 -8.032 -5.666 522 3HD1 ILE 65 3HD1 ILE 65 -6.529 -9.679 -5.306 523 H SER 66 HN SER 66 -3.220 -6.517 -2.180 524 HA SER 66 HA SER 66 -0.597 -7.660 -2.112 525 1HB SER 66 HB2 SER 66 -0.882 -7.457 0.361 526 2HB SER 66 HB1 SER 66 -1.227 -5.939 -0.468 527 HG SER 66 HG SER 66 -3.077 -6.037 0.585 528 HA PRO 67 HA PRO 67 -1.805 -11.937 -1.670 529 1HB PRO 67 HB2 PRO 67 -0.405 -12.288 0.864 530 2HB PRO 67 HB1 PRO 67 -0.053 -13.015 -0.699 531 1HG PRO 67 HG2 PRO 67 1.391 -11.001 0.575 532 2HG PRO 67 HG1 PRO 67 1.581 -11.512 -1.107 533 1HD PRO 67 HD2 PRO 67 0.459 -9.058 -0.045 534 2HD PRO 67 HD1 PRO 67 0.808 -9.478 -1.726 535 H LEU 68 HN LEU 68 -2.065 -9.686 0.942 536 HA LEU 68 HA LEU 68 -3.700 -11.278 2.611 537 1HB LEU 68 HB2 LEU 68 -2.243 -9.009 2.959 538 2HB LEU 68 HB1 LEU 68 -3.858 -8.344 2.884 539 HG LEU 68 HG LEU 68 -3.130 -8.732 5.204 540 1HD1 LEU 68 1HD1 LEU 68 -5.522 -8.877 4.696 541 2HD1 LEU 68 3HD1 LEU 68 -5.328 -10.605 4.375 542 3HD1 LEU 68 2HD1 LEU 68 -5.056 -9.982 5.999 543 1HD2 LEU 68 3HD2 LEU 68 -1.654 -10.656 4.696 544 2HD2 LEU 68 2HD2 LEU 68 -2.738 -10.955 6.061 545 3HD2 LEU 68 1HD2 LEU 68 -3.079 -11.666 4.485 546 H SER 69 HN SER 69 -4.371 -8.916 0.010 547 HA SER 69 HA SER 69 -7.144 -8.698 0.421 548 1HB SER 69 HB2 SER 69 -5.816 -8.727 -2.263 549 2HB SER 69 HB1 SER 69 -7.160 -7.719 -1.715 550 HG SER 69 HG SER 69 -5.741 -6.500 -0.521 551 H LYS 70 HN LYS 70 -5.113 -11.093 -0.974 552 HA LYS 70 HA LYS 70 -7.184 -12.493 -2.366 553 1HB LYS 70 HB2 LYS 70 -4.357 -13.338 -1.747 554 2HB LYS 70 HB1 LYS 70 -5.397 -13.972 -3.026 555 1HG LYS 70 HG2 LYS 70 -5.435 -11.806 -4.111 556 2HG LYS 70 HG1 LYS 70 -4.466 -11.122 -2.818 557 1HD LYS 70 HD2 LYS 70 -2.659 -12.702 -3.446 558 2HD LYS 70 HD1 LYS 70 -3.635 -13.184 -4.843 559 1HE LYS 70 HE2 LYS 70 -3.769 -10.758 -5.456 560 2HE LYS 70 HE1 LYS 70 -2.597 -10.436 -4.200 561 1HZ LYS 70 HZ3 LYS 70 -2.115 -12.151 -6.570 562 2HZ LYS 70 HZ2 LYS 70 -1.569 -10.587 -6.376 563 3HZ LYS 70 HZ1 LYS 70 -0.963 -11.813 -5.379 564 H VAL 71 HN VAL 71 -5.886 -12.501 0.806 565 HA VAL 71 HA VAL 71 -7.027 -15.151 1.384 566 HB VAL 71 HB VAL 71 -5.896 -15.182 3.486 567 1HG1 VAL 71 1HG1 VAL 71 -4.184 -13.722 1.607 568 2HG1 VAL 71 3HG1 VAL 71 -3.588 -14.608 3.005 569 3HG1 VAL 71 2HG1 VAL 71 -4.382 -15.488 1.674 570 1HG2 VAL 71 1HG2 VAL 71 -5.407 -12.238 3.208 571 2HG2 VAL 71 3HG2 VAL 71 -6.495 -13.006 4.363 572 3HG2 VAL 71 2HG2 VAL 71 -4.752 -13.256 4.496 573 H ASN 72 HN ASN 72 -7.521 -11.826 1.942 574 HA ASN 72 HA ASN 72 -9.997 -12.435 3.436 575 1HB ASN 72 HB2 ASN 72 -8.136 -11.275 4.722 576 2HB ASN 72 HB1 ASN 72 -8.381 -9.888 3.676 577 1HD2 ASN 72 1HD2 ASN 72 -10.852 -12.023 5.080 578 2HD2 ASN 72 2HD2 ASN 72 -11.584 -10.781 6.011 579 H GLY 73 HN GLY 73 -8.777 -9.427 1.935 580 1HA GLY 73 HA1 GLY 73 -10.496 -9.640 -0.351 581 2HA GLY 73 HA2 GLY 73 -9.479 -8.274 0.058 582 H TYR 74 HN TYR 74 -10.429 -7.306 2.364 583 HA TYR 74 HA TYR 74 -13.304 -7.008 2.058 584 1HB TYR 74 HB2 TYR 74 -11.599 -7.440 4.468 585 2HB TYR 74 HB1 TYR 74 -12.953 -6.337 4.601 586 HD1 TYR 74 HD1 TYR 74 -12.274 -9.789 3.306 587 HD2 TYR 74 HD2 TYR 74 -14.898 -7.196 5.393 588 HE1 TYR 74 HE1 TYR 74 -13.763 -11.687 3.790 589 HE2 TYR 74 HE2 TYR 74 -16.393 -9.073 5.885 590 HH TYR 74 HH TYR 74 -15.423 -12.291 5.384 591 H ILE 75 HN ILE 75 -13.459 -5.287 1.124 592 HA ILE 75 HA ILE 75 -11.900 -2.965 1.788 593 HB ILE 75 HB ILE 75 -14.034 -3.692 -0.105 594 1HG1 ILE 75 2HG1 ILE 75 -11.289 -2.599 -0.596 595 2HG1 ILE 75 1HG1 ILE 75 -11.706 -4.309 -0.537 596 1HG2 ILE 75 2HG2 ILE 75 -12.862 -0.877 0.275 597 2HG2 ILE 75 1HG2 ILE 75 -13.919 -1.322 -1.064 598 3HG2 ILE 75 3HG2 ILE 75 -14.537 -1.330 0.588 599 1HD1 ILE 75 2HD1 ILE 75 -13.165 -3.930 -2.513 600 2HD1 ILE 75 1HD1 ILE 75 -12.683 -2.238 -2.517 601 3HD1 ILE 75 3HD1 ILE 75 -11.488 -3.492 -2.834 602 H GLY 76 HN GLY 76 -12.516 -1.630 3.320 603 1HA GLY 76 HA1 GLY 76 -13.676 -1.892 5.433 604 2HA GLY 76 HA2 GLY 76 -15.133 -2.117 4.473 605 H VAL 77 HN VAL 77 -16.347 -0.512 4.253 606 HA VAL 77 HA VAL 77 -15.100 2.088 4.441 607 HB VAL 77 HB VAL 77 -17.601 1.310 3.011 608 1HG1 VAL 77 2HG1 VAL 77 -16.275 4.010 3.187 609 2HG1 VAL 77 1HG1 VAL 77 -17.616 3.614 2.111 610 3HG1 VAL 77 3HG1 VAL 77 -17.844 3.569 3.861 611 1HG2 VAL 77 1HG2 VAL 77 -14.905 2.105 2.008 612 2HG2 VAL 77 3HG2 VAL 77 -15.689 0.543 1.810 613 3HG2 VAL 77 2HG2 VAL 77 -16.314 1.965 0.963 614 H SER 78 HN SER 78 -15.730 3.439 5.876 615 HA SER 78 HA SER 78 -17.682 2.479 7.821 616 1HB SER 78 HB2 SER 78 -15.664 4.723 8.053 617 2HB SER 78 HB1 SER 78 -16.653 4.044 9.347 618 HG SER 78 HG SER 78 -15.235 2.173 7.968 619 H ASP 79 HN ASP 79 -19.021 4.350 8.814 620 HA ASP 79 HA ASP 79 -20.836 5.209 6.941 621 1HB ASP 79 HB2 ASP 79 -21.233 5.014 9.404 622 2HB ASP 79 HB1 ASP 79 -20.423 6.563 9.604 623 H ASN 80 HN ASN 80 -18.070 6.968 8.115 624 HA ASN 80 HA ASN 80 -18.778 9.397 6.719 625 1HB ASN 80 HB2 ASN 80 -16.265 8.590 8.185 626 2HB ASN 80 HB1 ASN 80 -16.418 10.117 7.329 627 1HD2 ASN 80 1HD2 ASN 80 -17.307 8.308 10.097 628 2HD2 ASN 80 2HD2 ASN 80 -18.096 9.593 10.939 629 H GLY 81 HN GLY 81 -18.215 6.702 5.380 630 1HA GLY 81 HA1 GLY 81 -17.360 7.821 2.940 631 2HA GLY 81 HA2 GLY 81 -17.757 6.139 3.261 632 H VAL 82 HN VAL 82 -15.923 5.918 5.375 633 HA VAL 82 HA VAL 82 -13.294 6.562 4.436 634 HB VAL 82 HB VAL 82 -14.053 4.550 6.569 635 1HG1 VAL 82 3HG1 VAL 82 -11.736 4.418 5.873 636 2HG1 VAL 82 2HG1 VAL 82 -11.541 6.149 6.151 637 3HG1 VAL 82 1HG1 VAL 82 -11.855 5.066 7.511 638 1HG2 VAL 82 3HG2 VAL 82 -15.122 6.704 6.978 639 2HG2 VAL 82 2HG2 VAL 82 -13.875 6.385 8.188 640 3HG2 VAL 82 1HG2 VAL 82 -13.569 7.509 6.853 641 H ILE 83 HN ILE 83 -12.504 5.645 2.741 642 HA ILE 83 HA ILE 83 -13.418 3.123 1.614 643 HB ILE 83 HB ILE 83 -11.479 5.145 0.390 644 1HG1 ILE 83 2HG1 ILE 83 -13.590 6.195 0.834 645 2HG1 ILE 83 1HG1 ILE 83 -13.486 5.862 -0.895 646 1HG2 ILE 83 3HG2 ILE 83 -11.367 2.900 -0.696 647 2HG2 ILE 83 2HG2 ILE 83 -13.107 2.942 -0.932 648 3HG2 ILE 83 1HG2 ILE 83 -12.079 4.104 -1.780 649 1HD1 ILE 83 3HD1 ILE 83 -14.951 4.209 1.130 650 2HD1 ILE 83 2HD1 ILE 83 -15.701 5.345 0.002 651 3HD1 ILE 83 1HD1 ILE 83 -14.896 3.894 -0.601 652 H SER 84 HN SER 84 -12.133 2.465 3.781 653 HA SER 84 HA SER 84 -9.300 2.087 2.982 654 1HB SER 84 HB2 SER 84 -10.495 1.888 5.738 655 2HB SER 84 HB1 SER 84 -8.775 1.909 5.315 656 HG SER 84 HG SER 84 -10.442 3.903 4.408 657 H THR 85 HN THR 85 -8.350 -0.034 3.136 658 HA THR 85 HA THR 85 -10.382 -2.067 3.224 659 HB THR 85 HB THR 85 -8.575 -3.657 2.519 660 HG1 THR 85 HG1 THR 85 -6.605 -2.654 1.816 661 1HG2 THR 85 2HG2 THR 85 -8.822 -1.159 0.833 662 2HG2 THR 85 1HG2 THR 85 -8.258 -2.731 0.257 663 3HG2 THR 85 3HG2 THR 85 -9.911 -2.538 0.834 664 H PHE 86 HN PHE 86 -10.269 -3.885 4.629 665 HA PHE 86 HA PHE 86 -8.748 -3.323 7.025 666 1HB PHE 86 HB2 PHE 86 -11.711 -3.816 6.882 667 2HB PHE 86 HB1 PHE 86 -10.800 -4.129 8.343 668 HD1 PHE 86 HD1 PHE 86 -10.472 -2.466 9.851 669 HD2 PHE 86 HD2 PHE 86 -11.594 -1.492 5.920 670 HE1 PHE 86 HE1 PHE 86 -10.868 -0.134 10.581 671 HE2 PHE 86 HE2 PHE 86 -12.013 0.862 6.598 672 HZ PHE 86 HZ PHE 86 -11.640 1.537 8.942 673 H HIS 87 HN HIS 87 -8.895 -5.257 8.526 674 HA HIS 87 HA HIS 87 -8.975 -7.736 7.010 675 1HB HIS 87 HB2 HIS 87 -6.960 -7.375 8.397 676 2HB HIS 87 HB1 HIS 87 -7.972 -7.185 9.825 677 HD1 HIS 87 HD1 HIS 87 -8.703 -9.345 11.023 678 HD2 HIS 87 HD2 HIS 87 -6.859 -10.030 7.360 679 HE1 HIS 87 HE1 HIS 87 -8.322 -11.816 10.894 680 H GLY 88 HN GLY 88 -10.949 -8.397 6.867 681 1HA GLY 88 HA1 GLY 88 -12.434 -9.092 9.270 682 2HA GLY 88 HA2 GLY 88 -12.865 -9.515 7.617 683 H ARG 89 HN ARG 89 -14.701 -8.590 9.476 684 HA ARG 89 HA ARG 89 -16.111 -6.677 8.160 685 1HB ARG 89 HB2 ARG 89 -16.185 -7.491 11.058 686 2HB ARG 89 HB1 ARG 89 -17.222 -6.223 10.419 687 1HG ARG 89 HG2 ARG 89 -17.164 -8.899 9.155 688 2HG ARG 89 HG1 ARG 89 -18.186 -8.526 10.546 689 1HD ARG 89 HD2 ARG 89 -18.181 -7.038 7.915 690 2HD ARG 89 HD1 ARG 89 -19.414 -8.150 8.439 691 HE ARG 89 HE ARG 89 -18.848 -5.547 9.674 692 1HH1 ARG 89 1HH1 ARG 89 -21.022 -8.302 9.271 693 2HH1 ARG 89 2HH1 ARG 89 -22.422 -7.452 9.693 694 1HH2 ARG 89 1HH2 ARG 89 -20.739 -4.368 10.283 695 2HH2 ARG 89 2HH2 ARG 89 -22.256 -5.148 10.318 696 HA PRO 90 HA PRO 90 -13.873 -2.907 8.980 697 1HB PRO 90 HB2 PRO 90 -16.190 -1.459 8.016 698 2HB PRO 90 HB1 PRO 90 -14.610 -1.635 7.255 699 1HG PRO 90 HG2 PRO 90 -16.908 -2.791 6.311 700 2HG PRO 90 HG1 PRO 90 -15.293 -3.431 5.994 701 1HD PRO 90 HD2 PRO 90 -17.367 -4.359 7.886 702 2HD PRO 90 HD1 PRO 90 -16.143 -5.256 6.953 703 H GLU 91 HN GLU 91 -14.004 -3.024 11.181 704 HA GLU 91 HA GLU 91 -15.977 -1.299 12.409 705 1HB GLU 91 HB2 GLU 91 -16.281 -2.937 14.255 706 2HB GLU 91 HB1 GLU 91 -16.749 -3.638 12.721 707 1HG GLU 91 HG2 GLU 91 -14.555 -4.763 12.610 708 2HG GLU 91 HG1 GLU 91 -14.197 -4.123 14.211 709 HA PRO 92 HA PRO 92 -12.323 0.331 14.335 710 1HB PRO 92 HB2 PRO 92 -13.097 0.611 16.957 711 2HB PRO 92 HB1 PRO 92 -13.468 1.796 15.688 712 1HG PRO 92 HG2 PRO 92 -15.167 -0.277 16.958 713 2HG PRO 92 HG1 PRO 92 -15.638 1.281 16.260 714 1HD PRO 92 HD2 PRO 92 -16.002 -1.179 15.075 715 2HD PRO 92 HD1 PRO 92 -15.923 0.359 14.170 716 H ALA 93 HN ALA 93 -13.684 -2.508 15.613 717 HA ALA 93 HA ALA 93 -11.438 -3.105 17.303 718 1HB ALA 93 HB1 ALA 93 -13.668 -3.894 17.847 719 2HB ALA 93 HB2 ALA 93 -12.541 -5.248 17.672 720 3HB ALA 93 HB3 ALA 93 -13.698 -4.874 16.382 721 H SER 94 HN SER 94 -12.018 -3.178 13.990 722 HA SER 94 HA SER 94 -10.109 -5.317 13.558 723 1HB SER 94 HB2 SER 94 -11.870 -3.777 11.647 724 2HB SER 94 HB1 SER 94 -10.754 -5.061 11.185 725 HG SER 94 HG SER 94 -13.031 -5.574 11.527 726 H GLU 95 HN GLU 95 -8.433 -4.812 11.881 727 HA GLU 95 HA GLU 95 -7.248 -2.253 12.538 728 1HB GLU 95 HB2 GLU 95 -6.119 -4.685 11.187 729 2HB GLU 95 HB1 GLU 95 -5.217 -3.209 11.498 730 1HG GLU 95 HG2 GLU 95 -5.652 -3.524 13.916 731 2HG GLU 95 HG1 GLU 95 -6.419 -5.061 13.530 732 HA PRO 96 HA PRO 96 -8.139 -0.824 8.410 733 1HB PRO 96 HB2 PRO 96 -7.098 1.692 8.791 734 2HB PRO 96 HB1 PRO 96 -8.751 1.243 9.203 735 1HG PRO 96 HG2 PRO 96 -6.463 1.747 10.973 736 2HG PRO 96 HG1 PRO 96 -8.204 1.776 11.300 737 1HD PRO 96 HD2 PRO 96 -6.358 -0.266 11.978 738 2HD PRO 96 HD1 PRO 96 -8.121 -0.304 12.171 739 H ILE 97 HN ILE 97 -6.870 -1.212 6.820 740 HA ILE 97 HA ILE 97 -4.109 -1.808 7.257 741 HB ILE 97 HB ILE 97 -5.797 -1.831 4.749 742 1HG1 ILE 97 2HG1 ILE 97 -5.003 -4.126 6.555 743 2HG1 ILE 97 1HG1 ILE 97 -6.544 -3.278 6.645 744 1HG2 ILE 97 2HG2 ILE 97 -3.082 -3.060 5.271 745 2HG2 ILE 97 1HG2 ILE 97 -4.089 -3.347 3.847 746 3HG2 ILE 97 3HG2 ILE 97 -3.452 -1.739 4.157 747 1HD1 ILE 97 1HD1 ILE 97 -5.541 -4.784 4.244 748 2HD1 ILE 97 3HD1 ILE 97 -6.737 -5.353 5.431 749 3HD1 ILE 97 2HD1 ILE 97 -7.092 -3.940 4.448 750 H GLN 98 HN GLN 98 -5.917 0.729 5.700 751 HA GLN 98 HA GLN 98 -3.810 2.632 5.850 752 1HB GLN 98 HB2 GLN 98 -3.285 2.948 3.556 753 2HB GLN 98 HB1 GLN 98 -3.372 1.201 3.643 754 1HG GLN 98 HG2 GLN 98 -5.533 3.049 2.605 755 2HG GLN 98 HG1 GLN 98 -4.456 2.048 1.640 756 1HE2 GLN 98 1HE2 GLN 98 -4.656 -0.230 3.322 757 2HE2 GLN 98 2HE2 GLN 98 -6.243 -0.881 3.077 758 H SER 99 HN SER 99 -4.897 4.611 4.316 759 HA SER 99 HA SER 99 -7.731 4.250 4.272 760 1HB SER 99 HB2 SER 99 -8.012 6.609 5.267 761 2HB SER 99 HB1 SER 99 -7.531 5.338 6.392 762 HG SER 99 HG SER 99 -5.462 6.059 6.330 763 H PHE 100 HN PHE 100 -8.387 4.743 2.276 764 HA PHE 100 HA PHE 100 -6.666 6.355 0.588 765 1HB PHE 100 HB2 PHE 100 -9.118 4.729 -0.076 766 2HB PHE 100 HB1 PHE 100 -8.311 5.759 -1.243 767 HD1 PHE 100 HD1 PHE 100 -8.548 2.528 0.001 768 HD2 PHE 100 HD2 PHE 100 -5.727 5.342 -1.460 769 HE1 PHE 100 HE1 PHE 100 -7.032 0.688 -0.617 770 HE2 PHE 100 HE2 PHE 100 -4.202 3.515 -2.073 771 HZ PHE 100 HZ PHE 100 -4.860 1.182 -1.654 772 H PHE 101 HN PHE 101 -10.201 6.356 1.026 773 HA PHE 101 HA PHE 101 -10.184 9.293 0.794 774 1HB PHE 101 HB2 PHE 101 -11.742 7.305 -0.824 775 2HB PHE 101 HB1 PHE 101 -12.406 8.894 -0.510 776 HD1 PHE 101 HD1 PHE 101 -12.100 10.462 -2.067 777 HD2 PHE 101 HD2 PHE 101 -9.267 7.340 -1.797 778 HE1 PHE 101 HE1 PHE 101 -10.930 11.369 -4.054 779 HE2 PHE 101 HE2 PHE 101 -8.083 8.212 -3.778 780 HZ PHE 101 HZ PHE 101 -8.918 10.228 -4.907 781 H GLN 102 HN GLN 102 -12.278 10.225 1.396 782 HA GLN 102 HA GLN 102 -14.018 8.557 3.014 783 1HB GLN 102 HB2 GLN 102 -12.814 11.210 3.739 784 2HB GLN 102 HB1 GLN 102 -14.487 10.907 4.166 785 1HG GLN 102 HG2 GLN 102 -13.920 9.082 5.476 786 2HG GLN 102 HG1 GLN 102 -12.248 9.057 4.949 787 1HE2 GLN 102 1HE2 GLN 102 -14.653 10.676 6.815 788 2HE2 GLN 102 2HE2 GLN 102 -13.590 11.665 7.734 789 H ILE 103 HN ILE 103 -15.910 8.550 2.237 790 HA ILE 103 HA ILE 103 -16.631 10.603 0.257 791 HB ILE 103 HB ILE 103 -17.680 8.947 -1.148 792 1HG1 ILE 103 2HG1 ILE 103 -16.875 6.856 0.890 793 2HG1 ILE 103 1HG1 ILE 103 -18.504 7.492 0.719 794 1HG2 ILE 103 3HG2 ILE 103 -15.266 9.231 -1.445 795 2HG2 ILE 103 2HG2 ILE 103 -14.957 7.974 -0.257 796 3HG2 ILE 103 1HG2 ILE 103 -15.765 7.580 -1.779 797 1HD1 ILE 103 3HD1 ILE 103 -16.984 6.052 -1.432 798 2HD1 ILE 103 2HD1 ILE 103 -18.234 5.334 -0.405 799 3HD1 ILE 103 1HD1 ILE 103 -18.633 6.645 -1.524 800 H ASP 104 HN ASP 104 -19.073 10.337 -0.314 801 HA ASP 104 HA ASP 104 -20.439 10.617 2.235 802 1HB ASP 104 HB2 ASP 104 -21.234 11.455 -0.546 803 2HB ASP 104 HB1 ASP 104 -22.268 11.638 0.863 804 H LEU 105 HN LEU 105 -21.176 8.710 2.934 805 HA LEU 105 HA LEU 105 -22.115 6.726 1.138 806 1HB LEU 105 HB2 LEU 105 -22.536 6.975 4.102 807 2HB LEU 105 HB1 LEU 105 -23.072 5.623 3.141 808 HG LEU 105 HG LEU 105 -20.307 6.375 3.972 809 1HD1 LEU 105 2HD1 LEU 105 -21.746 4.924 5.312 810 2HD1 LEU 105 1HD1 LEU 105 -21.853 3.798 3.996 811 3HD1 LEU 105 3HD1 LEU 105 -20.279 4.088 4.756 812 1HD2 LEU 105 2HD2 LEU 105 -21.013 4.497 1.700 813 2HD2 LEU 105 1HD2 LEU 105 -20.117 6.006 1.557 814 3HD2 LEU 105 3HD2 LEU 105 -19.424 4.648 2.440 815 H GLU 106 HN GLU 106 -23.449 9.331 2.809 816 HA GLU 106 HA GLU 106 -26.146 8.756 2.486 817 1HB GLU 106 HB2 GLU 106 -26.462 11.224 2.692 818 2HB GLU 106 HB1 GLU 106 -25.446 10.521 3.945 819 1HG GLU 106 HG2 GLU 106 -23.470 11.305 2.850 820 2HG GLU 106 HG1 GLU 106 -24.399 11.926 1.495 821 H ARG 107 HN ARG 107 -23.729 9.751 0.160 822 HA ARG 107 HA ARG 107 -25.766 10.492 -1.772 823 1HB ARG 107 HB2 ARG 107 -24.208 11.807 -2.774 824 2HB ARG 107 HB1 ARG 107 -23.265 11.532 -1.321 825 1HG ARG 107 HG2 ARG 107 -22.081 9.724 -2.398 826 2HG ARG 107 HG1 ARG 107 -23.046 9.938 -3.860 827 1HD ARG 107 HD2 ARG 107 -21.078 11.901 -2.663 828 2HD ARG 107 HD1 ARG 107 -20.895 11.009 -4.166 829 HE ARG 107 HE ARG 107 -23.046 12.958 -3.799 830 1HH1 ARG 107 1HH1 ARG 107 -20.326 11.772 -5.797 831 2HH1 ARG 107 2HH1 ARG 107 -20.426 13.036 -6.904 832 1HH2 ARG 107 1HH2 ARG 107 -23.159 14.658 -5.333 833 2HH2 ARG 107 2HH2 ARG 107 -22.074 14.753 -6.649 834 H LEU 108 HN LEU 108 -23.886 7.781 -0.862 835 HA LEU 108 HA LEU 108 -23.836 6.249 -3.242 836 1HB LEU 108 HB2 LEU 108 -23.876 5.569 -0.368 837 2HB LEU 108 HB1 LEU 108 -24.484 4.331 -1.440 838 HG LEU 108 HG LEU 108 -22.188 3.884 -0.960 839 1HD1 LEU 108 3HD1 LEU 108 -22.929 3.317 -3.106 840 2HD1 LEU 108 2HD1 LEU 108 -22.375 4.878 -3.732 841 3HD1 LEU 108 1HD1 LEU 108 -21.212 3.729 -3.073 842 1HD2 LEU 108 3HD2 LEU 108 -21.708 6.711 -1.768 843 2HD2 LEU 108 2HD2 LEU 108 -21.375 5.832 -0.257 844 3HD2 LEU 108 1HD2 LEU 108 -20.433 5.462 -1.682 845 H GLU 109 HN GLU 109 -25.145 4.526 -3.919 846 HA GLU 109 HA GLU 109 -27.773 5.236 -4.455 847 1HB GLU 109 HB2 GLU 109 -26.707 2.418 -4.392 848 2HB GLU 109 HB1 GLU 109 -27.982 3.047 -5.428 849 1HG GLU 109 HG2 GLU 109 -25.044 3.695 -5.549 850 2HG GLU 109 HG1 GLU 109 -25.925 2.684 -6.675 851 H SER 110 HN SER 110 -27.025 2.243 -2.654 852 HA SER 110 HA SER 110 -28.120 3.101 -0.228 853 1HB SER 110 HB2 SER 110 -30.273 2.823 -1.545 854 2HB SER 110 HB1 SER 110 -29.881 1.115 -1.721 855 HG SER 110 HG SER 110 -30.152 2.457 0.763 856 H HIS 111 HN HIS 111 -28.224 -0.061 -1.904 857 HA HIS 111 HA HIS 111 -27.100 -1.297 0.401 858 1HB HIS 111 HB2 HIS 111 -27.823 -2.410 -2.303 859 2HB HIS 111 HB1 HIS 111 -27.052 -3.394 -1.065 860 HD1 HIS 111 HD1 HIS 111 -28.617 -4.527 0.543 861 HD2 HIS 111 HD2 HIS 111 -30.386 -1.294 -1.379 862 HE1 HIS 111 HE1 HIS 111 -31.010 -4.489 1.303 863 H MET 112 HN MET 112 -25.741 0.033 -2.347 864 HA MET 112 HA MET 112 -23.263 -1.259 -2.421 865 1HB MET 112 HB2 MET 112 -24.250 1.415 -3.238 866 2HB MET 112 HB1 MET 112 -22.513 1.232 -3.077 867 1HG MET 112 HG2 MET 112 -24.226 -0.578 -4.735 868 2HG MET 112 HG1 MET 112 -23.455 0.876 -5.370 869 1HE MET 112 HE2 MET 112 -20.936 1.280 -5.460 870 2HE MET 112 HE1 MET 112 -20.686 0.905 -3.772 871 3HE MET 112 HE3 MET 112 -19.673 0.133 -4.997 872 H GLN 113 HN GLN 113 -24.147 1.628 -0.458 873 HA GLN 113 HA GLN 113 -21.574 1.692 0.697 874 1HB GLN 113 HB2 GLN 113 -22.622 3.072 2.489 875 2HB GLN 113 HB1 GLN 113 -22.803 3.762 0.878 876 1HG GLN 113 HG2 GLN 113 -24.976 3.563 0.930 877 2HG GLN 113 HG1 GLN 113 -24.887 2.014 1.829 878 1HE2 GLN 113 1HE2 GLN 113 -25.254 5.454 2.094 879 2HE2 GLN 113 2HE2 GLN 113 -25.521 5.473 3.799 880 H LYS 114 HN LYS 114 -24.541 0.064 1.468 881 HA LYS 114 HA LYS 114 -23.885 -0.791 4.047 882 1HB LYS 114 HB2 LYS 114 -25.647 -2.163 2.026 883 2HB LYS 114 HB1 LYS 114 -25.691 -2.381 3.767 884 1HG LYS 114 HG2 LYS 114 -26.317 0.173 2.316 885 2HG LYS 114 HG1 LYS 114 -27.516 -0.958 2.905 886 1HD LYS 114 HD2 LYS 114 -26.648 -0.581 5.211 887 2HD LYS 114 HD1 LYS 114 -25.524 0.609 4.550 888 1HE LYS 114 HE2 LYS 114 -27.459 1.892 3.687 889 2HE LYS 114 HE1 LYS 114 -28.526 0.732 4.482 890 1HZ LYS 114 HZ2 LYS 114 -27.517 1.369 6.611 891 2HZ LYS 114 HZ1 LYS 114 -26.573 2.525 5.811 892 3HZ LYS 114 HZ3 LYS 114 -28.243 2.666 5.843 893 H ASN 115 HN ASN 115 -23.179 -2.120 0.847 894 HA ASN 115 HA ASN 115 -22.274 -4.629 1.833 895 1HB ASN 115 HB2 ASN 115 -21.614 -5.184 -0.428 896 2HB ASN 115 HB1 ASN 115 -23.050 -4.188 -0.607 897 1HD2 ASN 115 1HD2 ASN 115 -22.693 -3.720 -2.682 898 2HD2 ASN 115 2HD2 ASN 115 -21.390 -2.717 -3.207 899 H LEU 116 HN LEU 116 -20.778 -1.665 1.099 900 HA LEU 116 HA LEU 116 -18.112 -2.422 1.646 901 1HB LEU 116 HB2 LEU 116 -19.355 0.311 1.939 902 2HB LEU 116 HB1 LEU 116 -17.656 -0.128 1.746 903 HG LEU 116 HG LEU 116 -19.654 -0.683 -0.459 904 1HD1 LEU 116 2HD1 LEU 116 -18.066 1.810 -0.024 905 2HD1 LEU 116 1HD1 LEU 116 -18.929 1.351 -1.492 906 3HD1 LEU 116 3HD1 LEU 116 -19.822 1.632 -0.009 907 1HD2 LEU 116 1HD2 LEU 116 -16.654 -0.320 -0.404 908 2HD2 LEU 116 3HD2 LEU 116 -17.495 -1.868 -0.522 909 3HD2 LEU 116 2HD2 LEU 116 -17.643 -0.680 -1.818 910 H LEU 117 HN LEU 117 -20.778 -1.276 3.655 911 HA LEU 117 HA LEU 117 -19.419 -0.720 6.030 912 1HB LEU 117 HB2 LEU 117 -22.176 -1.876 5.738 913 2HB LEU 117 HB1 LEU 117 -21.530 -1.155 7.190 914 HG LEU 117 HG LEU 117 -22.210 0.212 4.612 915 1HD1 LEU 117 2HD1 LEU 117 -24.079 -0.375 6.055 916 2HD1 LEU 117 1HD1 LEU 117 -23.317 0.478 7.387 917 3HD1 LEU 117 3HD1 LEU 117 -23.843 1.373 5.960 918 1HD2 LEU 117 2HD2 LEU 117 -20.948 1.346 7.089 919 2HD2 LEU 117 1HD2 LEU 117 -20.224 1.188 5.477 920 3HD2 LEU 117 3HD2 LEU 117 -21.594 2.272 5.717 921 H LYS 118 HN LYS 118 -20.727 -3.765 4.803 922 HA LYS 118 HA LYS 118 -19.586 -4.972 7.149 923 1HB LYS 118 HB2 LYS 118 -20.838 -7.044 6.558 924 2HB LYS 118 HB1 LYS 118 -21.815 -5.634 6.911 925 1HG LYS 118 HG2 LYS 118 -22.818 -6.733 5.186 926 2HG LYS 118 HG1 LYS 118 -22.028 -5.299 4.483 927 1HD LYS 118 HD2 LYS 118 -20.172 -6.718 3.732 928 2HD LYS 118 HD1 LYS 118 -20.963 -8.113 4.443 929 1HE LYS 118 HE2 LYS 118 -22.793 -7.884 2.861 930 2HE LYS 118 HE1 LYS 118 -21.994 -6.481 2.145 931 1HZ LYS 118 HZ2 LYS 118 -20.066 -7.936 1.719 932 2HZ LYS 118 HZ1 LYS 118 -20.955 -9.241 2.251 933 3HZ LYS 118 HZ3 LYS 118 -21.456 -8.424 0.862 934 H GLY 119 HN GLY 119 -18.600 -4.311 4.112 935 1HA GLY 119 HA1 GLY 119 -16.381 -6.100 4.493 936 2HA GLY 119 HA2 GLY 119 -16.468 -4.731 3.394 937 H ILE 120 HN ILE 120 -15.702 -5.926 1.721 938 HA ILE 120 HA ILE 120 -17.693 -7.659 0.500 939 HB ILE 120 HB ILE 120 -15.088 -6.686 -0.759 940 1HG1 ILE 120 2HG1 ILE 120 -16.291 -4.686 -0.137 941 2HG1 ILE 120 1HG1 ILE 120 -16.507 -4.927 -1.867 942 1HG2 ILE 120 1HG2 ILE 120 -16.225 -8.579 -1.871 943 2HG2 ILE 120 3HG2 ILE 120 -17.692 -7.607 -1.983 944 3HG2 ILE 120 2HG2 ILE 120 -16.249 -7.121 -2.871 945 1HD1 ILE 120 3HD1 ILE 120 -18.737 -5.937 -1.378 946 2HD1 ILE 120 2HD1 ILE 120 -18.450 -5.542 0.317 947 3HD1 ILE 120 1HD1 ILE 120 -18.614 -4.245 -0.853 948 HA PRO 121 HA PRO 121 -15.114 -10.947 1.975 949 1HB PRO 121 HB2 PRO 121 -16.508 -13.026 1.152 950 2HB PRO 121 HB1 PRO 121 -17.178 -11.893 2.338 951 1HG PRO 121 HG2 PRO 121 -17.713 -12.093 -0.599 952 2HG PRO 121 HG1 PRO 121 -18.862 -11.821 0.723 953 1HD PRO 121 HD2 PRO 121 -17.785 -9.855 -0.891 954 2HD PRO 121 HD1 PRO 121 -18.481 -9.584 0.719 955 H PHE 122 HN PHE 122 -14.972 -9.996 -1.125 956 HA PHE 122 HA PHE 122 -12.868 -11.789 -1.832 957 1HB PHE 122 HB2 PHE 122 -14.824 -13.222 -2.376 958 2HB PHE 122 HB1 PHE 122 -15.461 -11.951 -3.402 959 HD1 PHE 122 HD1 PHE 122 -14.721 -11.697 -5.629 960 HD2 PHE 122 HD2 PHE 122 -12.710 -14.381 -3.020 961 HE1 PHE 122 HE1 PHE 122 -13.496 -12.634 -7.545 962 HE2 PHE 122 HE2 PHE 122 -11.484 -15.323 -4.924 963 HZ PHE 122 HZ PHE 122 -11.876 -14.451 -7.189 964 H ARG 123 HN ARG 123 -11.507 -10.652 -3.177 965 HA ARG 123 HA ARG 123 -12.676 -8.774 -4.998 966 1HB ARG 123 HB2 ARG 123 -12.308 -7.585 -2.754 967 2HB ARG 123 HB1 ARG 123 -10.591 -7.760 -3.070 968 1HG ARG 123 HG2 ARG 123 -11.132 -5.588 -3.781 969 2HG ARG 123 HG1 ARG 123 -11.024 -6.536 -5.261 970 1HD ARG 123 HD2 ARG 123 -13.589 -5.803 -3.820 971 2HD ARG 123 HD1 ARG 123 -12.976 -5.021 -5.269 972 HE ARG 123 HE ARG 123 -13.200 -7.585 -6.062 973 1HH1 ARG 123 1HH1 ARG 123 -15.564 -5.422 -4.483 974 2HH1 ARG 123 2HH1 ARG 123 -16.887 -6.285 -5.069 975 1HH2 ARG 123 1HH2 ARG 123 -14.987 -8.697 -6.860 976 2HH2 ARG 123 2HH2 ARG 123 -16.566 -8.158 -6.492 977 H THR 124 HN THR 124 -11.479 -8.679 -6.840 978 HA THR 124 HA THR 124 -8.742 -9.688 -6.727 979 HB THR 124 HB THR 124 -10.534 -9.539 -9.188 980 HG1 THR 124 HG1 THR 124 -11.587 -10.840 -7.751 981 1HG2 THR 124 3HG2 THR 124 -8.073 -11.161 -8.479 982 2HG2 THR 124 2HG2 THR 124 -9.028 -11.371 -9.954 983 3HG2 THR 124 1HG2 THR 124 -8.195 -9.843 -9.645 984 H LYS 125 HN LYS 125 -7.540 -8.505 -8.944 985 HA LYS 125 HA LYS 125 -7.241 -5.960 -7.819 986 1HB LYS 125 HB2 LYS 125 -5.355 -5.692 -9.442 987 2HB LYS 125 HB1 LYS 125 -5.312 -7.093 -8.396 988 1HG LYS 125 HG2 LYS 125 -4.503 -7.807 -10.501 989 2HG LYS 125 HG1 LYS 125 -6.108 -8.494 -10.310 990 1HD LYS 125 HD2 LYS 125 -5.828 -7.694 -12.581 991 2HD LYS 125 HD1 LYS 125 -7.004 -6.688 -11.747 992 1HE LYS 125 HE2 LYS 125 -5.566 -5.296 -13.031 993 2HE LYS 125 HE1 LYS 125 -5.245 -5.029 -11.322 994 1HZ LYS 125 HZ3 LYS 125 -3.249 -6.504 -11.566 995 2HZ LYS 125 HZ2 LYS 125 -3.560 -6.598 -13.213 996 3HZ LYS 125 HZ1 LYS 125 -3.183 -5.119 -12.526 997 H ALA 126 HN ALA 126 -8.793 -7.005 -10.765 998 HA ALA 126 HA ALA 126 -8.937 -4.293 -11.742 999 1HB ALA 126 HB1 ALA 126 -10.269 -5.211 -13.555 1000 2HB ALA 126 HB3 ALA 126 -8.827 -6.201 -13.293 1001 3HB ALA 126 HB2 ALA 126 -10.396 -6.746 -12.697 1002 H GLU 127 HN GLU 127 -10.732 -6.468 -9.870 1003 HA GLU 127 HA GLU 127 -13.230 -5.112 -9.994 1004 1HB GLU 127 HB2 GLU 127 -12.272 -6.756 -7.711 1005 2HB GLU 127 HB1 GLU 127 -13.915 -6.505 -8.270 1006 1HG GLU 127 HG2 GLU 127 -13.185 -7.751 -10.388 1007 2HG GLU 127 HG1 GLU 127 -11.759 -8.128 -9.475 1008 H PHE 128 HN PHE 128 -10.381 -5.030 -7.953 1009 HA PHE 128 HA PHE 128 -11.305 -3.392 -5.912 1010 1HB PHE 128 HB2 PHE 128 -9.233 -4.643 -5.719 1011 2HB PHE 128 HB1 PHE 128 -8.533 -3.752 -7.064 1012 HD1 PHE 128 HD1 PHE 128 -7.912 -1.464 -6.819 1013 HD2 PHE 128 HD2 PHE 128 -9.362 -3.707 -3.554 1014 HE1 PHE 128 HE1 PHE 128 -7.030 0.259 -5.275 1015 HE2 PHE 128 HE2 PHE 128 -8.508 -2.013 -1.970 1016 HZ PHE 128 HZ PHE 128 -7.345 -0.018 -2.833 1017 H GLU 129 HN GLU 129 -9.443 -2.500 -8.844 1018 HA GLU 129 HA GLU 129 -9.658 0.232 -8.307 1019 1HB GLU 129 HB2 GLU 129 -9.013 0.563 -10.717 1020 2HB GLU 129 HB1 GLU 129 -7.918 -0.439 -9.785 1021 1HG GLU 129 HG2 GLU 129 -8.518 -2.346 -10.857 1022 2HG GLU 129 HG1 GLU 129 -10.088 -1.714 -11.332 1023 H ASP 130 HN ASP 130 -11.876 -1.987 -9.729 1024 HA ASP 130 HA ASP 130 -13.523 -0.094 -11.065 1025 1HB ASP 130 HB2 ASP 130 -13.610 -2.529 -11.519 1026 2HB ASP 130 HB1 ASP 130 -14.279 -2.780 -9.921 1027 H VAL 131 HN VAL 131 -13.773 -1.730 -7.949 1028 HA VAL 131 HA VAL 131 -16.038 -0.224 -7.168 1029 HB VAL 131 HB VAL 131 -15.604 -2.409 -6.105 1030 1HG1 VAL 131 2HG1 VAL 131 -13.210 -2.346 -6.082 1031 2HG1 VAL 131 1HG1 VAL 131 -13.239 -1.138 -4.800 1032 3HG1 VAL 131 3HG1 VAL 131 -13.861 -2.764 -4.492 1033 1HG2 VAL 131 1HG2 VAL 131 -15.505 -0.170 -4.104 1034 2HG2 VAL 131 3HG2 VAL 131 -16.962 -0.854 -4.835 1035 3HG2 VAL 131 2HG2 VAL 131 -15.959 -1.839 -3.760 1036 H ILE 132 HN ILE 132 -12.618 0.293 -6.840 1037 HA ILE 132 HA ILE 132 -12.847 2.511 -5.121 1038 HB ILE 132 HB ILE 132 -10.657 1.184 -6.566 1039 1HG1 ILE 132 2HG1 ILE 132 -9.463 1.522 -4.454 1040 2HG1 ILE 132 1HG1 ILE 132 -10.740 2.584 -3.883 1041 1HG2 ILE 132 1HG2 ILE 132 -10.382 3.389 -7.522 1042 2HG2 ILE 132 3HG2 ILE 132 -10.326 4.102 -5.911 1043 3HG2 ILE 132 2HG2 ILE 132 -9.050 2.992 -6.431 1044 1HD1 ILE 132 1HD1 ILE 132 -11.010 -0.355 -4.480 1045 2HD1 ILE 132 3HD1 ILE 132 -10.886 0.374 -2.876 1046 3HD1 ILE 132 2HD1 ILE 132 -12.291 0.705 -3.890 1047 H GLU 133 HN GLU 133 -12.807 2.276 -8.660 1048 HA GLU 133 HA GLU 133 -12.694 5.080 -9.034 1049 1HB GLU 133 HB2 GLU 133 -13.552 4.703 -11.260 1050 2HB GLU 133 HB1 GLU 133 -12.131 3.698 -10.946 1051 1HG GLU 133 HG2 GLU 133 -13.738 1.850 -10.514 1052 2HG GLU 133 HG1 GLU 133 -15.001 2.957 -11.060 1053 H HIS 134 HN HIS 134 -15.217 2.891 -8.445 1054 HA HIS 134 HA HIS 134 -17.424 4.598 -8.726 1055 1HB HIS 134 HB2 HIS 134 -16.686 2.163 -7.366 1056 2HB HIS 134 HB1 HIS 134 -18.117 2.960 -6.664 1057 HD1 HIS 134 HD1 HIS 134 -16.882 0.971 -9.615 1058 HD2 HIS 134 HD2 HIS 134 -20.302 2.884 -8.272 1059 HE1 HIS 134 HE1 HIS 134 -18.722 0.199 -11.138 1060 H MET 135 HN MET 135 -15.562 3.678 -5.866 1061 HA MET 135 HA MET 135 -16.750 5.353 -4.008 1062 1HB MET 135 HB2 MET 135 -13.866 4.504 -4.070 1063 2HB MET 135 HB1 MET 135 -14.707 5.154 -2.677 1064 1HG MET 135 HG2 MET 135 -15.285 2.544 -4.061 1065 2HG MET 135 HG1 MET 135 -14.466 2.735 -2.522 1066 1HE MET 135 HE1 MET 135 -17.743 2.015 -4.289 1067 2HE MET 135 HE3 MET 135 -18.982 2.672 -3.248 1068 3HE MET 135 HE2 MET 135 -18.048 3.751 -4.290 1069 H LYS 136 HN LYS 136 -14.017 6.130 -6.118 1070 HA LYS 136 HA LYS 136 -13.639 8.646 -4.929 1071 1HB LYS 136 HB2 LYS 136 -12.211 9.229 -6.874 1072 2HB LYS 136 HB1 LYS 136 -11.785 7.737 -6.049 1073 1HG LYS 136 HG2 LYS 136 -12.868 6.458 -7.748 1074 2HG LYS 136 HG1 LYS 136 -13.357 7.926 -8.591 1075 1HD LYS 136 HD2 LYS 136 -11.376 6.933 -9.626 1076 2HD LYS 136 HD1 LYS 136 -11.023 8.518 -8.938 1077 1HE LYS 136 HE2 LYS 136 -9.983 7.506 -7.021 1078 2HE LYS 136 HE1 LYS 136 -10.431 5.893 -7.571 1079 1HZ LYS 136 HZ1 LYS 136 -8.994 6.297 -9.540 1080 2HZ LYS 136 HZ3 LYS 136 -8.541 7.782 -8.886 1081 3HZ LYS 136 HZ2 LYS 136 -8.133 6.353 -8.103 1082 H THR 137 HN THR 137 -15.998 7.669 -7.253 1083 HA THR 137 HA THR 137 -16.454 10.436 -7.950 1084 HB THR 137 HB THR 137 -16.919 8.449 -9.581 1085 HG1 THR 137 HG1 THR 137 -17.653 10.422 -10.191 1086 1HG2 THR 137 1HG2 THR 137 -18.263 7.070 -8.036 1087 2HG2 THR 137 3HG2 THR 137 -19.492 8.334 -7.989 1088 3HG2 THR 137 2HG2 THR 137 -19.162 7.475 -9.494 1089 H TYR 138 HN TYR 138 -17.447 8.097 -5.642 1090 HA TYR 138 HA TYR 138 -19.698 9.609 -4.740 1091 1HB TYR 138 HB2 TYR 138 -18.361 7.145 -3.727 1092 2HB TYR 138 HB1 TYR 138 -19.640 7.965 -2.832 1093 HD1 TYR 138 HD1 TYR 138 -18.842 5.809 -5.548 1094 HD2 TYR 138 HD2 TYR 138 -21.787 8.218 -3.829 1095 HE1 TYR 138 HE1 TYR 138 -20.485 4.601 -6.869 1096 HE2 TYR 138 HE2 TYR 138 -23.566 7.037 -5.173 1097 HH TYR 138 HH TYR 138 -23.854 5.610 -7.003 1098 H SER 139 HN SER 139 -16.502 9.943 -4.421 1099 HA SER 139 HA SER 139 -16.154 10.836 -1.731 1100 1HB SER 139 HB2 SER 139 -14.630 11.686 -4.190 1101 2HB SER 139 HB1 SER 139 -14.062 11.732 -2.523 1102 HG SER 139 HG SER 139 -14.946 9.244 -3.298 1103 H GLY 140 HN GLY 140 -18.452 11.934 -3.106 1104 1HA GLY 140 HA1 GLY 140 -18.025 14.741 -2.382 1105 2HA GLY 140 HA2 GLY 140 -19.581 13.985 -2.703 No H/Q in entry = 1105 Start of MODEL 16 1 H1 ALA 1 HT2 ALA 1 38.902 6.370 2.550 2 H2 ALA 1 HT1 ALA 1 40.157 6.671 1.431 3 H3 ALA 1 HT3 ALA 1 38.602 7.293 1.183 4 HA ALA 1 HA ALA 1 38.905 5.470 -0.245 5 1HB ALA 1 HB1 ALA 1 40.607 4.283 1.058 6 2HB ALA 1 HB3 ALA 1 39.402 3.903 2.287 7 3HB ALA 1 HB2 ALA 1 39.251 3.224 0.669 8 H GLU 2 HN GLU 2 37.063 4.279 -0.790 9 HA GLU 2 HA GLU 2 34.729 4.860 0.801 10 1HB GLU 2 HB2 GLU 2 35.005 3.382 -1.822 11 2HB GLU 2 HB1 GLU 2 33.493 3.897 -1.087 12 1HG GLU 2 HG2 GLU 2 34.174 6.223 -1.307 13 2HG GLU 2 HG1 GLU 2 35.689 5.715 -2.047 14 H VAL 3 HN VAL 3 33.265 3.165 1.444 15 HA VAL 3 HA VAL 3 32.918 1.735 2.860 16 HB VAL 3 HB VAL 3 33.079 -0.625 2.364 17 1HG1 VAL 3 1HG1 VAL 3 31.224 0.670 1.824 18 2HG1 VAL 3 3HG1 VAL 3 31.902 1.159 0.271 19 3HG1 VAL 3 2HG1 VAL 3 31.446 -0.535 0.542 20 1HG2 VAL 3 1HG2 VAL 3 34.346 0.256 -0.237 21 2HG2 VAL 3 3HG2 VAL 3 35.091 -0.748 1.006 22 3HG2 VAL 3 2HG2 VAL 3 33.721 -1.366 0.078 23 H GLU 4 HN GLU 4 33.266 1.255 4.587 24 HA GLU 4 HA GLU 4 35.944 1.562 5.527 25 1HB GLU 4 HB2 GLU 4 34.844 1.634 7.789 26 2HB GLU 4 HB1 GLU 4 34.313 2.843 6.629 27 1HG GLU 4 HG2 GLU 4 32.369 1.262 6.131 28 2HG GLU 4 HG1 GLU 4 32.865 0.427 7.605 29 H HIS 5 HN HIS 5 37.277 0.001 5.638 30 HA HIS 5 HA HIS 5 38.347 -1.905 6.163 31 1HB HIS 5 HB2 HIS 5 35.891 -2.701 7.699 32 2HB HIS 5 HB1 HIS 5 37.498 -3.384 7.851 33 HD1 HIS 5 HD1 HIS 5 35.753 -2.038 10.164 34 HD2 HIS 5 HD2 HIS 5 38.972 -0.350 8.168 35 HE1 HIS 5 HE1 HIS 5 36.660 -0.247 11.689 36 H TYR 6 HN TYR 6 37.530 -4.493 6.436 37 HA TYR 6 HA TYR 6 36.665 -5.181 3.742 38 1HB TYR 6 HB2 TYR 6 37.681 -6.740 6.069 39 2HB TYR 6 HB1 TYR 6 37.273 -7.480 4.520 40 HD1 TYR 6 HD1 TYR 6 38.785 -7.351 2.680 41 HD2 TYR 6 HD2 TYR 6 39.513 -5.162 6.216 42 HE1 TYR 6 HE1 TYR 6 41.033 -6.824 1.847 43 HE2 TYR 6 HE2 TYR 6 41.817 -4.609 5.412 44 HH TYR 6 HH TYR 6 43.475 -5.646 3.762 45 H GLU 7 HN GLU 7 35.397 -4.596 6.601 46 HA GLU 7 HA GLU 7 33.327 -6.541 6.839 47 1HB GLU 7 HB2 GLU 7 33.420 -3.700 7.867 48 2HB GLU 7 HB1 GLU 7 32.325 -4.964 8.409 49 1HG GLU 7 HG2 GLU 7 34.205 -6.225 9.295 50 2HG GLU 7 HG1 GLU 7 35.315 -4.980 8.719 51 HA PRO 8 HA PRO 8 31.020 -4.765 3.504 52 1HB PRO 8 HB2 PRO 8 28.721 -6.140 3.755 53 2HB PRO 8 HB1 PRO 8 30.181 -6.832 3.084 54 1HG PRO 8 HG2 PRO 8 29.113 -7.159 5.856 55 2HG PRO 8 HG1 PRO 8 29.854 -8.367 4.790 56 1HD PRO 8 HD2 PRO 8 31.178 -7.109 6.820 57 2HD PRO 8 HD1 PRO 8 31.980 -7.724 5.362 58 H LEU 9 HN LEU 9 28.749 -3.864 3.263 59 HA LEU 9 HA LEU 9 28.655 -1.712 5.262 60 1HB LEU 9 HB2 LEU 9 28.853 -1.619 2.534 61 2HB LEU 9 HB1 LEU 9 27.153 -1.695 2.715 62 HG LEU 9 HG LEU 9 27.949 0.616 2.396 63 1HD1 LEU 9 1HD1 LEU 9 26.565 0.109 5.007 64 2HD1 LEU 9 3HD1 LEU 9 26.650 1.663 4.180 65 3HD1 LEU 9 2HD1 LEU 9 25.814 0.313 3.420 66 1HD2 LEU 9 3HD2 LEU 9 30.049 0.466 3.620 67 2HD2 LEU 9 2HD2 LEU 9 29.055 1.795 4.220 68 3HD2 LEU 9 1HD2 LEU 9 29.159 0.288 5.129 69 H GLN 10 HN GLN 10 27.076 -2.023 6.782 70 HA GLN 10 HA GLN 10 24.825 -3.579 6.169 71 1HB GLN 10 HB2 GLN 10 25.600 -1.977 8.575 72 2HB GLN 10 HB1 GLN 10 23.979 -2.641 8.453 73 1HG GLN 10 HG2 GLN 10 24.989 -4.861 8.242 74 2HG GLN 10 HG1 GLN 10 26.586 -4.145 8.481 75 1HE2 GLN 10 1HE2 GLN 10 25.157 -6.151 10.045 76 2HE2 GLN 10 2HE2 GLN 10 25.031 -5.529 11.639 77 H VAL 11 HN VAL 11 23.492 -2.789 4.758 78 HA VAL 11 HA VAL 11 22.747 0.029 4.742 79 HB VAL 11 HB VAL 11 21.750 -2.069 2.858 80 1HG1 VAL 11 2HG1 VAL 11 20.625 0.009 2.795 81 2HG1 VAL 11 1HG1 VAL 11 22.141 0.878 2.538 82 3HG1 VAL 11 3HG1 VAL 11 21.529 -0.229 1.302 83 1HG2 VAL 11 2HG2 VAL 11 24.154 -2.296 2.789 84 2HG2 VAL 11 1HG2 VAL 11 23.550 -1.593 1.294 85 3HG2 VAL 11 3HG2 VAL 11 24.331 -0.553 2.493 86 H HIS 12 HN HIS 12 20.903 0.542 5.681 87 HA HIS 12 HA HIS 12 18.960 -1.568 6.233 88 1HB HIS 12 HB2 HIS 12 19.705 0.028 8.088 89 2HB HIS 12 HB1 HIS 12 18.890 1.307 7.204 90 HD1 HIS 12 HD1 HIS 12 18.296 -1.050 9.866 91 HD2 HIS 12 HD2 HIS 12 15.985 0.614 6.833 92 HE1 HIS 12 HE1 HIS 12 15.891 -1.362 10.551 93 H VAL 13 HN VAL 13 17.660 -1.819 4.609 94 HA VAL 13 HA VAL 13 16.932 0.490 2.987 95 HB VAL 13 HB VAL 13 16.266 -1.088 1.267 96 1HG1 VAL 13 1HG1 VAL 13 18.529 -0.254 1.269 97 2HG1 VAL 13 3HG1 VAL 13 19.027 -1.614 2.287 98 3HG1 VAL 13 2HG1 VAL 13 18.460 -1.918 0.648 99 1HG2 VAL 13 1HG2 VAL 13 15.641 -2.963 2.625 100 2HG2 VAL 13 3HG2 VAL 13 16.816 -3.454 1.404 101 3HG2 VAL 13 2HG2 VAL 13 17.332 -3.228 3.084 102 H GLN 14 HN GLN 14 15.109 1.230 3.050 103 HA GLN 14 HA GLN 14 12.987 -0.298 4.349 104 1HB GLN 14 HB2 GLN 14 13.298 1.918 5.313 105 2HB GLN 14 HB1 GLN 14 13.170 2.664 3.725 106 1HG GLN 14 HG2 GLN 14 10.847 1.975 3.569 107 2HG GLN 14 HG1 GLN 14 10.970 1.143 5.114 108 1HE2 GLN 14 1HE2 GLN 14 9.233 3.313 4.230 109 2HE2 GLN 14 2HE2 GLN 14 9.469 4.598 5.356 110 H LEU 15 HN LEU 15 11.897 -1.431 2.982 111 HA LEU 15 HA LEU 15 11.833 -0.522 0.248 112 1HB LEU 15 HB2 LEU 15 10.970 -3.114 1.462 113 2HB LEU 15 HB1 LEU 15 10.848 -2.759 -0.240 114 HG LEU 15 HG LEU 15 12.703 -3.936 -0.315 115 1HD1 LEU 15 1HD1 LEU 15 13.955 -1.360 0.512 116 2HD1 LEU 15 3HD1 LEU 15 14.805 -2.711 -0.240 117 3HD1 LEU 15 2HD1 LEU 15 13.511 -1.891 -1.113 118 1HD2 LEU 15 2HD2 LEU 15 13.344 -3.212 2.523 119 2HD2 LEU 15 1HD2 LEU 15 12.701 -4.733 1.872 120 3HD2 LEU 15 3HD2 LEU 15 14.333 -4.233 1.459 121 H GLU 16 HN GLU 16 10.108 0.613 -0.387 122 HA GLU 16 HA GLU 16 7.552 0.278 1.004 123 1HB GLU 16 HB2 GLU 16 8.323 2.157 -1.228 124 2HB GLU 16 HB1 GLU 16 6.795 2.142 -0.379 125 1HG GLU 16 HG2 GLU 16 7.951 2.844 1.653 126 2HG GLU 16 HG1 GLU 16 9.474 2.910 0.760 127 H LYS 17 HN LYS 17 5.891 -0.669 -0.024 128 HA LYS 17 HA LYS 17 6.350 -1.370 -2.823 129 1HB LYS 17 HB2 LYS 17 4.915 -3.023 -0.718 130 2HB LYS 17 HB1 LYS 17 5.018 -3.434 -2.426 131 1HG LYS 17 HG2 LYS 17 7.464 -3.598 -2.229 132 2HG LYS 17 HG1 LYS 17 7.326 -3.230 -0.509 133 1HD LYS 17 HD2 LYS 17 6.005 -5.268 -0.182 134 2HD LYS 17 HD1 LYS 17 6.135 -5.622 -1.907 135 1HE LYS 17 HE2 LYS 17 8.569 -5.759 -1.692 136 2HE LYS 17 HE1 LYS 17 8.439 -5.396 0.027 137 1HZ LYS 17 HZ2 LYS 17 7.141 -7.433 0.287 138 2HZ LYS 17 HZ1 LYS 17 7.308 -7.774 -1.334 139 3HZ LYS 17 HZ3 LYS 17 8.673 -7.772 -0.352 140 H VAL 18 HN VAL 18 5.040 -0.063 -3.955 141 HA VAL 18 HA VAL 18 2.975 1.163 -2.356 142 HB VAL 18 HB VAL 18 3.634 3.119 -3.355 143 1HG1 VAL 18 2HG1 VAL 18 5.521 1.541 -4.962 144 2HG1 VAL 18 1HG1 VAL 18 5.481 3.295 -4.793 145 3HG1 VAL 18 3HG1 VAL 18 5.771 2.281 -3.381 146 1HG2 VAL 18 3HG2 VAL 18 3.042 1.849 -6.028 147 2HG2 VAL 18 2HG2 VAL 18 1.882 2.725 -5.032 148 3HG2 VAL 18 1HG2 VAL 18 3.266 3.570 -5.722 149 H TYR 19 HN TYR 19 0.997 0.628 -2.519 150 HA TYR 19 HA TYR 19 0.133 -0.554 -5.023 151 1HB TYR 19 HB2 TYR 19 -0.836 -1.175 -2.242 152 2HB TYR 19 HB1 TYR 19 -1.401 -1.915 -3.733 153 HD1 TYR 19 HD1 TYR 19 0.867 -2.151 -1.062 154 HD2 TYR 19 HD2 TYR 19 0.408 -3.125 -5.149 155 HE1 TYR 19 HE1 TYR 19 2.600 -3.848 -0.824 156 HE2 TYR 19 HE2 TYR 19 2.144 -4.855 -4.947 157 HH TYR 19 HH TYR 19 3.945 -5.498 -3.560 158 H LEU 20 HN LEU 20 -1.956 -0.032 -5.633 159 HA LEU 20 HA LEU 20 -2.520 2.675 -4.857 160 1HB LEU 20 HB2 LEU 20 -4.100 2.703 -6.810 161 2HB LEU 20 HB1 LEU 20 -2.421 2.469 -7.200 162 HG LEU 20 HG LEU 20 -2.944 0.000 -7.478 163 1HD1 LEU 20 2HD1 LEU 20 -5.029 -0.097 -6.235 164 2HD1 LEU 20 1HD1 LEU 20 -5.792 0.959 -7.422 165 3HD1 LEU 20 3HD1 LEU 20 -5.244 -0.649 -7.897 166 1HD2 LEU 20 2HD2 LEU 20 -4.324 1.969 -9.286 167 2HD2 LEU 20 1HD2 LEU 20 -2.638 1.464 -9.372 168 3HD2 LEU 20 3HD2 LEU 20 -3.923 0.303 -9.704 169 H ASP 21 HN ASP 21 -3.528 -0.296 -3.862 170 HA ASP 21 HA ASP 21 -6.266 0.456 -3.427 171 1HB ASP 21 HB2 ASP 21 -6.593 -1.650 -2.436 172 2HB ASP 21 HB1 ASP 21 -5.471 -1.922 -3.757 173 H GLY 22 HN GLY 22 -3.462 1.356 -2.000 174 1HA GLY 22 HA1 GLY 22 -4.917 1.958 0.482 175 2HA GLY 22 HA2 GLY 22 -3.831 3.101 -0.277 176 H ASP 23 HN ASP 23 -3.276 -0.319 0.075 177 HA ASP 23 HA ASP 23 -1.664 0.002 2.429 178 1HB ASP 23 HB2 ASP 23 -3.011 -2.036 2.014 179 2HB ASP 23 HB1 ASP 23 -2.029 -2.382 0.605 180 H VAL 24 HN VAL 24 0.477 0.131 2.553 181 HA VAL 24 HA VAL 24 2.083 -0.387 0.155 182 HB VAL 24 HB VAL 24 2.744 1.799 2.179 183 1HG1 VAL 24 2HG1 VAL 24 4.684 0.808 1.212 184 2HG1 VAL 24 1HG1 VAL 24 4.070 1.119 -0.406 185 3HG1 VAL 24 3HG1 VAL 24 4.485 2.474 0.650 186 1HG2 VAL 24 3HG2 VAL 24 0.813 2.499 0.832 187 2HG2 VAL 24 2HG2 VAL 24 2.245 3.445 0.426 188 3HG2 VAL 24 1HG2 VAL 24 1.713 2.143 -0.637 189 H SER 25 HN SER 25 3.290 -2.048 0.637 190 HA SER 25 HA SER 25 3.523 -2.809 3.409 191 1HB SER 25 HB2 SER 25 3.002 -4.414 1.449 192 2HB SER 25 HB1 SER 25 4.717 -4.271 1.061 193 HG SER 25 HG SER 25 3.518 -5.217 3.414 194 H ILE 26 HN ILE 26 4.939 -1.909 4.545 195 HA ILE 26 HA ILE 26 7.435 -0.976 3.391 196 HB ILE 26 HB ILE 26 6.293 -0.582 6.161 197 1HG1 ILE 26 2HG1 ILE 26 4.882 0.538 4.551 198 2HG1 ILE 26 1HG1 ILE 26 5.828 1.738 5.429 199 1HG2 ILE 26 1HG2 ILE 26 8.728 -0.377 6.119 200 2HG2 ILE 26 3HG2 ILE 26 8.611 0.781 4.787 201 3HG2 ILE 26 2HG2 ILE 26 7.975 1.198 6.380 202 1HD1 ILE 26 2HD1 ILE 26 7.355 1.887 3.520 203 2HD1 ILE 26 1HD1 ILE 26 6.337 0.725 2.663 204 3HD1 ILE 26 3HD1 ILE 26 5.690 2.307 3.095 205 H GLU 27 HN GLU 27 9.099 -2.215 3.493 206 HA GLU 27 HA GLU 27 9.329 -4.186 5.659 207 1HB GLU 27 HB2 GLU 27 9.202 -5.281 3.524 208 2HB GLU 27 HB1 GLU 27 10.389 -4.201 2.830 209 1HG GLU 27 HG2 GLU 27 11.507 -6.211 3.197 210 2HG GLU 27 HG1 GLU 27 12.026 -5.121 4.447 211 H HIS 28 HN HIS 28 11.310 -4.323 6.657 212 HA HIS 28 HA HIS 28 13.203 -2.113 6.181 213 1HB HIS 28 HB2 HIS 28 12.447 -3.294 8.862 214 2HB HIS 28 HB1 HIS 28 13.652 -2.048 8.603 215 HD1 HIS 28 HD1 HIS 28 10.745 -1.990 10.247 216 HD2 HIS 28 HD2 HIS 28 11.851 -0.092 6.740 217 HE1 HIS 28 HE1 HIS 28 9.268 0.034 10.080 218 H LYS 29 HN LYS 29 14.920 -3.102 5.360 219 HA LYS 29 HA LYS 29 15.720 -5.645 6.582 220 1HB LYS 29 HB2 LYS 29 16.034 -4.728 3.779 221 2HB LYS 29 HB1 LYS 29 16.956 -6.057 4.429 222 1HG LYS 29 HG2 LYS 29 14.577 -7.014 4.971 223 2HG LYS 29 HG1 LYS 29 14.071 -5.845 3.747 224 1HD LYS 29 HD2 LYS 29 16.232 -7.845 3.448 225 2HD LYS 29 HD1 LYS 29 14.594 -8.056 2.765 226 1HE LYS 29 HE2 LYS 29 14.969 -6.045 1.390 227 2HE LYS 29 HE1 LYS 29 16.589 -5.869 2.064 228 1HZ LYS 29 HZ3 LYS 29 17.101 -8.050 1.069 229 2HZ LYS 29 HZ2 LYS 29 15.573 -8.026 0.317 230 3HZ LYS 29 HZ1 LYS 29 16.719 -6.851 -0.047 231 H HIS 30 HN HIS 30 17.793 -6.011 6.769 232 HA HIS 30 HA HIS 30 19.575 -3.778 6.325 233 1HB HIS 30 HB2 HIS 30 20.864 -4.431 8.396 234 2HB HIS 30 HB1 HIS 30 19.287 -3.693 8.661 235 HD1 HIS 30 HD1 HIS 30 17.507 -5.115 9.894 236 HD2 HIS 30 HD2 HIS 30 21.057 -7.139 9.164 237 HE1 HIS 30 HE1 HIS 30 17.430 -7.181 11.301 238 H GLU 31 HN GLU 31 20.889 -4.311 4.762 239 HA GLU 31 HA GLU 31 21.851 -7.065 4.804 240 1HB GLU 31 HB2 GLU 31 21.718 -7.095 2.352 241 2HB GLU 31 HB1 GLU 31 20.169 -6.853 3.140 242 1HG GLU 31 HG2 GLU 31 20.368 -4.433 2.666 243 2HG GLU 31 HG1 GLU 31 21.792 -4.820 1.693 244 H LYS 32 HN LYS 32 23.958 -7.412 4.279 245 HA LYS 32 HA LYS 32 25.558 -5.003 4.334 246 1HB LYS 32 HB2 LYS 32 26.232 -7.868 4.895 247 2HB LYS 32 HB1 LYS 32 27.381 -6.545 4.941 248 1HG LYS 32 HG2 LYS 32 26.074 -5.481 6.666 249 2HG LYS 32 HG1 LYS 32 24.989 -6.850 6.773 250 1HD LYS 32 HD2 LYS 32 27.923 -6.657 7.458 251 2HD LYS 32 HD1 LYS 32 26.595 -7.146 8.498 252 1HE LYS 32 HE2 LYS 32 26.323 -9.203 7.142 253 2HE LYS 32 HE1 LYS 32 27.679 -8.644 6.152 254 1HZ LYS 32 HZ2 LYS 32 29.123 -8.783 8.103 255 2HZ LYS 32 HZ1 LYS 32 27.854 -9.334 9.048 256 3HZ LYS 32 HZ3 LYS 32 28.433 -10.265 7.776 257 H VAL 33 HN VAL 33 26.609 -4.336 2.621 258 HA VAL 33 HA VAL 33 27.105 -6.238 0.386 259 HB VAL 33 HB VAL 33 26.165 -4.902 -1.114 260 1HG1 VAL 33 3HG1 VAL 33 25.017 -3.678 1.300 261 2HG1 VAL 33 2HG1 VAL 33 24.420 -3.337 -0.307 262 3HG1 VAL 33 1HG1 VAL 33 24.320 -5.005 0.354 263 1HG2 VAL 33 3HG2 VAL 33 27.854 -3.158 -1.055 264 2HG2 VAL 33 2HG2 VAL 33 26.239 -2.512 -1.300 265 3HG2 VAL 33 1HG2 VAL 33 27.014 -2.369 0.296 266 H PHE 34 HN PHE 34 29.087 -6.073 -0.680 267 HA PHE 34 HA PHE 34 31.045 -4.552 0.801 268 1HB PHE 34 HB2 PHE 34 31.323 -6.465 -1.514 269 2HB PHE 34 HB1 PHE 34 32.662 -5.645 -0.734 270 HD1 PHE 34 HD1 PHE 34 32.769 -6.012 1.875 271 HD2 PHE 34 HD2 PHE 34 30.799 -8.587 -0.862 272 HE1 PHE 34 HE1 PHE 34 33.014 -7.880 3.460 273 HE2 PHE 34 HE2 PHE 34 31.021 -10.456 0.722 274 HZ PHE 34 HZ PHE 34 32.135 -10.102 2.887 275 H SER 35 HN SER 35 29.692 -4.744 -2.516 276 HA SER 35 HA SER 35 31.005 -2.284 -3.075 277 1HB SER 35 HB2 SER 35 29.888 -4.473 -4.808 278 2HB SER 35 HB1 SER 35 30.687 -3.010 -5.377 279 HG SER 35 HG SER 35 32.570 -3.665 -4.372 280 H MET 36 HN MET 36 29.607 -0.650 -2.764 281 HA MET 36 HA MET 36 26.810 -0.854 -2.556 282 1HB MET 36 HB2 MET 36 28.643 1.448 -3.069 283 2HB MET 36 HB1 MET 36 26.910 1.681 -3.190 284 1HG MET 36 HG2 MET 36 27.481 0.316 -0.753 285 2HG MET 36 HG1 MET 36 28.537 1.741 -0.923 286 1HE MET 36 HE2 MET 36 25.080 1.143 -2.424 287 2HE MET 36 HE1 MET 36 24.669 0.546 -0.833 288 3HE MET 36 HE3 MET 36 23.969 2.073 -1.431 289 H ASP 37 HN ASP 37 28.893 -0.428 -5.162 290 HA ASP 37 HA ASP 37 27.118 0.409 -7.152 291 1HB ASP 37 HB2 ASP 37 29.491 0.518 -7.565 292 2HB ASP 37 HB1 ASP 37 29.651 -1.225 -7.379 293 H ASP 38 HN ASP 38 27.893 -2.765 -5.894 294 HA ASP 38 HA ASP 38 26.425 -4.206 -7.894 295 1HB ASP 38 HB2 ASP 38 28.305 -5.271 -6.578 296 2HB ASP 38 HB1 ASP 38 27.285 -5.105 -5.156 297 H PHE 39 HN PHE 39 25.831 -2.903 -4.674 298 HA PHE 39 HA PHE 39 23.374 -4.040 -4.172 299 1HB PHE 39 HB2 PHE 39 24.583 -2.946 -2.442 300 2HB PHE 39 HB1 PHE 39 24.619 -1.429 -3.324 301 HD1 PHE 39 HD1 PHE 39 22.622 -0.065 -3.464 302 HD2 PHE 39 HD2 PHE 39 22.679 -3.589 -1.097 303 HE1 PHE 39 HE1 PHE 39 20.625 0.723 -2.250 304 HE2 PHE 39 HE2 PHE 39 20.707 -2.807 0.145 305 HZ PHE 39 HZ PHE 39 19.681 -0.653 -0.448 306 H TRP 40 HN TRP 40 24.348 -1.061 -5.848 307 HA TRP 40 HA TRP 40 21.744 -0.101 -6.346 308 1HB TRP 40 HB2 TRP 40 24.298 0.529 -7.817 309 2HB TRP 40 HB1 TRP 40 22.778 1.402 -8.010 310 HD1 TRP 40 HD1 TRP 40 25.877 1.911 -6.406 311 HE1 TRP 40 HE1 TRP 40 25.727 3.281 -4.277 312 HE3 TRP 40 HE3 TRP 40 20.839 1.637 -5.701 313 HZ2 TRP 40 HZ2 TRP 40 23.646 4.168 -2.488 314 HZ3 TRP 40 HZ3 TRP 40 19.859 2.761 -3.776 315 HH2 TRP 40 HH2 TRP 40 21.188 3.997 -2.229 316 H ALA 41 HN ALA 41 23.872 -2.145 -8.154 317 HA ALA 41 HA ALA 41 22.176 -2.222 -10.457 318 1HB ALA 41 HB1 ALA 41 23.560 -4.114 -11.180 319 2HB ALA 41 HB3 ALA 41 24.570 -2.788 -10.595 320 3HB ALA 41 HB2 ALA 41 24.287 -4.194 -9.571 321 H ALA 42 HN ALA 42 22.398 -4.015 -7.509 322 HA ALA 42 HA ALA 42 20.630 -6.095 -8.239 323 1HB ALA 42 HB1 ALA 42 21.318 -5.050 -5.505 324 2HB ALA 42 HB3 ALA 42 20.588 -6.617 -5.872 325 3HB ALA 42 HB2 ALA 42 22.235 -6.246 -6.402 326 H TYR 43 HN TYR 43 20.150 -2.887 -6.760 327 HA TYR 43 HA TYR 43 17.280 -3.441 -6.668 328 1HB TYR 43 HB2 TYR 43 19.001 -1.515 -5.126 329 2HB TYR 43 HB1 TYR 43 17.255 -1.446 -5.124 330 HD1 TYR 43 HD1 TYR 43 20.088 -3.707 -4.238 331 HD2 TYR 43 HD2 TYR 43 15.977 -2.800 -3.759 332 HE1 TYR 43 HE1 TYR 43 19.905 -5.427 -2.486 333 HE2 TYR 43 HE2 TYR 43 15.784 -4.497 -2.021 334 HH TYR 43 HH TYR 43 18.371 -5.839 -0.525 335 H ALA 44 HN ALA 44 19.152 -2.367 -8.926 336 HA ALA 44 HA ALA 44 18.513 0.202 -9.529 337 1HB ALA 44 HB3 ALA 44 18.834 -2.063 -11.496 338 2HB ALA 44 HB1 ALA 44 20.139 -1.117 -10.778 339 3HB ALA 44 HB2 ALA 44 18.985 -0.346 -11.867 340 H GLY 45 HN GLY 45 16.518 -2.580 -9.789 341 1HA GLY 45 HA1 GLY 45 14.372 -2.940 -10.555 342 2HA GLY 45 HA2 GLY 45 14.523 -1.478 -11.515 343 H TRP 46 HN TRP 46 15.044 -1.381 -8.037 344 HA TRP 46 HA TRP 46 12.414 -0.504 -7.370 345 1HB TRP 46 HB2 TRP 46 15.064 -0.254 -5.944 346 2HB TRP 46 HB1 TRP 46 13.500 0.128 -5.260 347 HD1 TRP 46 HD1 TRP 46 15.363 -2.964 -6.658 348 HE1 TRP 46 HE1 TRP 46 14.626 -5.009 -5.266 349 HE3 TRP 46 HE3 TRP 46 11.916 -0.687 -3.716 350 HZ2 TRP 46 HZ2 TRP 46 12.780 -5.547 -3.125 351 HZ3 TRP 46 HZ3 TRP 46 10.710 -2.006 -2.075 352 HH2 TRP 46 HH2 TRP 46 11.134 -4.399 -1.813 353 H THR 47 HN THR 47 11.897 1.749 -6.761 354 HA THR 47 HA THR 47 13.441 3.692 -8.205 355 HB THR 47 HB THR 47 10.932 3.857 -6.528 356 HG1 THR 47 HG1 THR 47 11.343 3.145 -9.142 357 1HG2 THR 47 1HG2 THR 47 12.139 5.953 -6.585 358 2HG2 THR 47 3HG2 THR 47 12.189 5.905 -8.350 359 3HG2 THR 47 2HG2 THR 47 10.635 6.075 -7.513 360 H LEU 48 HN LEU 48 14.990 4.837 -7.141 361 HA LEU 48 HA LEU 48 15.437 4.469 -4.327 362 1HB LEU 48 HB2 LEU 48 17.228 4.898 -5.995 363 2HB LEU 48 HB1 LEU 48 16.590 6.528 -6.165 364 HG LEU 48 HG LEU 48 16.880 6.444 -3.485 365 1HD1 LEU 48 1HD1 LEU 48 17.491 4.284 -3.372 366 2HD1 LEU 48 3HD1 LEU 48 18.967 4.597 -4.299 367 3HD1 LEU 48 2HD1 LEU 48 18.688 5.409 -2.740 368 1HD2 LEU 48 1HD2 LEU 48 19.016 7.057 -5.467 369 2HD2 LEU 48 3HD2 LEU 48 17.668 8.086 -4.946 370 3HD2 LEU 48 2HD2 LEU 48 18.907 7.618 -3.769 371 H VAL 49 HN VAL 49 14.490 5.607 -2.809 372 HA VAL 49 HA VAL 49 13.171 7.994 -3.688 373 HB VAL 49 HB VAL 49 12.831 6.474 -1.092 374 1HG1 VAL 49 3HG1 VAL 49 12.328 8.859 -0.794 375 2HG1 VAL 49 2HG1 VAL 49 11.234 8.806 -2.176 376 3HG1 VAL 49 1HG1 VAL 49 10.853 7.896 -0.713 377 1HG2 VAL 49 2HG2 VAL 49 11.062 6.631 -3.519 378 2HG2 VAL 49 1HG2 VAL 49 11.995 5.234 -2.982 379 3HG2 VAL 49 3HG2 VAL 49 10.649 5.825 -2.007 380 H GLU 50 HN GLU 50 15.372 6.909 -1.125 381 HA GLU 50 HA GLU 50 16.892 9.256 -1.359 382 1HB GLU 50 HB2 GLU 50 16.546 10.177 0.956 383 2HB GLU 50 HB1 GLU 50 15.122 10.331 -0.074 384 1HG GLU 50 HG2 GLU 50 14.148 8.458 1.009 385 2HG GLU 50 HG1 GLU 50 15.554 8.284 2.066 386 H GLN 51 HN GLN 51 18.862 9.034 -0.376 387 HA GLN 51 HA GLN 51 19.253 6.659 1.257 388 1HB GLN 51 HB2 GLN 51 21.386 6.261 0.051 389 2HB GLN 51 HB1 GLN 51 19.935 6.017 -0.913 390 1HG GLN 51 HG2 GLN 51 20.260 8.154 -2.000 391 2HG GLN 51 HG1 GLN 51 21.685 8.449 -0.995 392 1HE2 GLN 51 1HE2 GLN 51 20.328 6.529 -3.478 393 2HE2 GLN 51 2HE2 GLN 51 21.773 5.804 -4.074 394 H LYS 52 HN LYS 52 20.644 6.829 2.844 395 HA LYS 52 HA LYS 52 22.297 9.187 3.096 396 1HB LYS 52 HB2 LYS 52 21.465 9.426 5.458 397 2HB LYS 52 HB1 LYS 52 20.411 10.033 4.159 398 1HG LYS 52 HG2 LYS 52 19.262 7.807 4.355 399 2HG LYS 52 HG1 LYS 52 20.131 7.545 5.869 400 1HD LYS 52 HD2 LYS 52 18.090 8.421 6.549 401 2HD LYS 52 HD1 LYS 52 19.125 9.856 6.508 402 1HE LYS 52 HE2 LYS 52 18.342 10.362 4.273 403 2HE LYS 52 HE1 LYS 52 17.346 8.913 4.305 404 1HZ LYS 52 HZ2 LYS 52 16.173 9.917 6.246 405 2HZ LYS 52 HZ1 LYS 52 16.990 11.367 5.938 406 3HZ LYS 52 HZ3 LYS 52 15.945 10.698 4.770 407 H LYS 53 HN LYS 53 24.105 8.093 3.024 408 HA LYS 53 HA LYS 53 25.818 6.820 3.462 409 1HB LYS 53 HB2 LYS 53 25.505 8.353 5.486 410 2HB LYS 53 HB1 LYS 53 24.960 6.909 6.321 411 1HG LYS 53 HG2 LYS 53 27.588 7.063 4.904 412 2HG LYS 53 HG1 LYS 53 27.326 7.603 6.562 413 1HD LYS 53 HD2 LYS 53 26.634 5.378 7.200 414 2HD LYS 53 HD1 LYS 53 26.684 4.862 5.515 415 1HE LYS 53 HE2 LYS 53 29.045 5.153 5.434 416 2HE LYS 53 HE1 LYS 53 29.080 5.795 7.079 417 1HZ LYS 53 HZ1 LYS 53 28.285 3.003 6.346 418 2HZ LYS 53 HZ3 LYS 53 29.755 3.460 7.057 419 3HZ LYS 53 HZ2 LYS 53 28.313 3.646 7.891 420 H GLY 54 HN GLY 54 23.814 5.469 5.818 421 1HA GLY 54 HA1 GLY 54 24.223 3.074 6.328 422 2HA GLY 54 HA2 GLY 54 24.364 2.844 4.593 423 H TYR 55 HN TYR 55 21.734 4.994 5.185 424 HA TYR 55 HA TYR 55 20.011 2.659 5.146 425 1HB TYR 55 HB2 TYR 55 19.436 3.795 7.109 426 2HB TYR 55 HB1 TYR 55 19.740 5.374 6.402 427 HD1 TYR 55 HD1 TYR 55 17.263 2.672 6.772 428 HD2 TYR 55 HD2 TYR 55 18.153 6.423 5.125 429 HE1 TYR 55 HE1 TYR 55 14.858 2.993 6.301 430 HE2 TYR 55 HE2 TYR 55 15.756 6.820 4.619 431 HH TYR 55 HH TYR 55 13.242 4.674 5.777 432 H VAL 56 HN VAL 56 18.827 2.372 3.378 433 HA VAL 56 HA VAL 56 18.603 4.632 1.545 434 HB VAL 56 HB VAL 56 19.057 1.735 0.767 435 1HG1 VAL 56 2HG1 VAL 56 17.569 2.883 -0.751 436 2HG1 VAL 56 1HG1 VAL 56 18.729 4.199 -0.927 437 3HG1 VAL 56 3HG1 VAL 56 19.127 2.585 -1.523 438 1HG2 VAL 56 3HG2 VAL 56 21.111 2.835 1.558 439 2HG2 VAL 56 2HG2 VAL 56 21.177 2.508 -0.177 440 3HG2 VAL 56 1HG2 VAL 56 20.847 4.140 0.400 441 H LEU 57 HN LEU 57 16.631 5.060 0.951 442 HA LEU 57 HA LEU 57 14.470 3.220 1.629 443 1HB LEU 57 HB2 LEU 57 14.252 5.324 2.730 444 2HB LEU 57 HB1 LEU 57 14.663 6.205 1.287 445 HG LEU 57 HG LEU 57 12.413 5.765 0.364 446 1HD1 LEU 57 2HD1 LEU 57 11.978 3.996 2.641 447 2HD1 LEU 57 1HD1 LEU 57 10.743 4.734 1.559 448 3HD1 LEU 57 3HD1 LEU 57 12.018 3.770 0.855 449 1HD2 LEU 57 2HD2 LEU 57 12.297 6.705 3.206 450 2HD2 LEU 57 1HD2 LEU 57 12.661 7.689 1.786 451 3HD2 LEU 57 3HD2 LEU 57 11.069 6.960 1.957 452 H PHE 58 HN PHE 58 13.658 2.086 0.061 453 HA PHE 58 HA PHE 58 13.673 3.045 -2.768 454 1HB PHE 58 HB2 PHE 58 13.994 0.292 -1.615 455 2HB PHE 58 HB1 PHE 58 13.447 0.559 -3.253 456 HD1 PHE 58 HD1 PHE 58 16.198 0.101 -1.131 457 HD2 PHE 58 HD2 PHE 58 14.993 1.870 -4.781 458 HE1 PHE 58 HE1 PHE 58 18.523 0.077 -1.909 459 HE2 PHE 58 HE2 PHE 58 17.323 1.885 -5.561 460 HZ PHE 58 HZ PHE 58 19.088 0.964 -4.127 461 H ARG 59 HN ARG 59 11.898 2.390 -4.025 462 HA ARG 59 HA ARG 59 9.735 1.054 -2.619 463 1HB ARG 59 HB2 ARG 59 8.015 2.467 -3.569 464 2HB ARG 59 HB1 ARG 59 9.138 3.440 -2.637 465 1HG ARG 59 HG2 ARG 59 10.215 4.177 -4.713 466 2HG ARG 59 HG1 ARG 59 9.033 3.207 -5.626 467 1HD ARG 59 HD2 ARG 59 8.571 5.594 -5.469 468 2HD ARG 59 HD1 ARG 59 7.246 4.553 -4.931 469 HE ARG 59 HE ARG 59 8.579 5.094 -2.619 470 1HH1 ARG 59 1HH1 ARG 59 7.261 7.293 -5.088 471 2HH1 ARG 59 2HH1 ARG 59 6.960 8.514 -3.942 472 1HH2 ARG 59 1HH2 ARG 59 8.158 6.648 -1.184 473 2HH2 ARG 59 2HH2 ARG 59 7.474 8.162 -1.629 474 H LYS 60 HN LYS 60 8.700 -0.398 -3.746 475 HA LYS 60 HA LYS 60 9.220 -0.660 -6.611 476 1HB LYS 60 HB2 LYS 60 10.739 -2.151 -5.582 477 2HB LYS 60 HB1 LYS 60 9.509 -2.758 -4.468 478 1HG LYS 60 HG2 LYS 60 9.668 -4.458 -6.012 479 2HG LYS 60 HG1 LYS 60 8.369 -3.497 -6.714 480 1HD LYS 60 HD2 LYS 60 9.862 -4.062 -8.480 481 2HD LYS 60 HD1 LYS 60 10.116 -2.356 -8.115 482 1HE LYS 60 HE2 LYS 60 12.150 -2.740 -7.016 483 2HE LYS 60 HE1 LYS 60 11.819 -4.435 -6.796 484 1HZ LYS 60 HZ3 LYS 60 12.305 -3.197 -9.456 485 2HZ LYS 60 HZ2 LYS 60 13.406 -4.131 -8.547 486 3HZ LYS 60 HZ1 LYS 60 12.002 -4.811 -9.119 487 H GLN 61 HN GLN 61 7.379 -0.997 -7.620 488 HA GLN 61 HA GLN 61 5.174 -2.091 -6.095 489 1HB GLN 61 HB2 GLN 61 3.690 -0.621 -7.564 490 2HB GLN 61 HB1 GLN 61 4.602 0.173 -6.293 491 1HG GLN 61 HG2 GLN 61 6.343 0.615 -8.153 492 2HG GLN 61 HG1 GLN 61 4.992 0.196 -9.216 493 1HE2 GLN 61 1HE2 GLN 61 6.250 2.419 -6.982 494 2HE2 GLN 61 2HE2 GLN 61 5.120 3.700 -7.091 495 H MET 62 HN MET 62 5.235 -4.094 -6.714 496 HA MET 62 HA MET 62 5.790 -4.824 -9.469 497 1HB MET 62 HB2 MET 62 5.937 -7.107 -8.666 498 2HB MET 62 HB1 MET 62 6.892 -6.060 -7.631 499 1HG MET 62 HG2 MET 62 4.141 -7.130 -6.993 500 2HG MET 62 HG1 MET 62 5.652 -7.776 -6.369 501 1HE MET 62 HE3 MET 62 7.168 -6.531 -4.582 502 2HE MET 62 HE2 MET 62 7.337 -5.169 -5.694 503 3HE MET 62 HE1 MET 62 6.866 -4.887 -4.018 504 H ASP 63 HN ASP 63 3.103 -4.366 -7.459 505 HA ASP 63 HA ASP 63 1.370 -5.513 -9.522 506 1HB ASP 63 HB2 ASP 63 1.588 -6.984 -7.349 507 2HB ASP 63 HB1 ASP 63 0.650 -5.710 -6.585 508 H ASP 64 HN ASP 64 -0.970 -4.716 -8.527 509 HA ASP 64 HA ASP 64 -0.666 -1.805 -8.459 510 1HB ASP 64 HB2 ASP 64 -3.018 -3.508 -9.302 511 2HB ASP 64 HB1 ASP 64 -3.050 -1.757 -9.179 512 H ILE 65 HN ILE 65 -2.294 -4.603 -6.981 513 HA ILE 65 HA ILE 65 -2.788 -2.809 -4.741 514 HB ILE 65 HB ILE 65 -4.718 -4.021 -4.076 515 1HG1 ILE 65 2HG1 ILE 65 -4.149 -5.860 -6.380 516 2HG1 ILE 65 1HG1 ILE 65 -3.925 -6.234 -4.682 517 1HG2 ILE 65 3HG2 ILE 65 -5.120 -2.321 -5.789 518 2HG2 ILE 65 2HG2 ILE 65 -4.886 -3.524 -7.051 519 3HG2 ILE 65 1HG2 ILE 65 -6.265 -3.653 -5.959 520 1HD1 ILE 65 3HD1 ILE 65 -6.330 -6.062 -4.302 521 2HD1 ILE 65 2HD1 ILE 65 -6.560 -5.682 -6.013 522 3HD1 ILE 65 1HD1 ILE 65 -5.956 -7.272 -5.537 523 H SER 66 HN SER 66 -2.737 -3.861 -2.695 524 HA SER 66 HA SER 66 -0.337 -5.174 -2.302 525 1HB SER 66 HB2 SER 66 -1.243 -5.376 0.073 526 2HB SER 66 HB1 SER 66 -1.066 -3.758 -0.619 527 HG SER 66 HG SER 66 -3.191 -3.573 -0.797 528 HA PRO 67 HA PRO 67 -1.186 -9.494 -2.717 529 1HB PRO 67 HB2 PRO 67 0.707 -10.429 -0.953 530 2HB PRO 67 HB1 PRO 67 1.058 -9.926 -2.611 531 1HG PRO 67 HG2 PRO 67 1.400 -8.418 -0.056 532 2HG PRO 67 HG1 PRO 67 2.474 -8.495 -1.464 533 1HD PRO 67 HD2 PRO 67 0.869 -6.400 -1.029 534 2HD PRO 67 HD1 PRO 67 1.208 -6.983 -2.670 535 H LEU 68 HN LEU 68 -0.918 -8.057 0.516 536 HA LEU 68 HA LEU 68 -2.089 -10.260 1.866 537 1HB LEU 68 HB2 LEU 68 -0.730 -8.149 2.748 538 2HB LEU 68 HB1 LEU 68 -2.328 -7.462 2.927 539 HG LEU 68 HG LEU 68 -1.523 -8.338 5.055 540 1HD1 LEU 68 1HD1 LEU 68 -3.934 -8.497 4.674 541 2HD1 LEU 68 3HD1 LEU 68 -3.695 -10.107 3.985 542 3HD1 LEU 68 2HD1 LEU 68 -3.338 -9.821 5.685 543 1HD2 LEU 68 3HD2 LEU 68 0.015 -10.016 4.190 544 2HD2 LEU 68 2HD2 LEU 68 -1.074 -10.707 5.395 545 3HD2 LEU 68 1HD2 LEU 68 -1.346 -11.017 3.682 546 H SER 69 HN SER 69 -3.345 -7.428 0.252 547 HA SER 69 HA SER 69 -5.973 -7.730 1.148 548 1HB SER 69 HB2 SER 69 -4.807 -6.289 -1.205 549 2HB SER 69 HB1 SER 69 -6.521 -6.225 -0.774 550 HG SER 69 HG SER 69 -4.445 -4.897 0.291 551 H LYS 70 HN LYS 70 -4.201 -9.386 -1.340 552 HA LYS 70 HA LYS 70 -6.543 -10.477 -2.577 553 1HB LYS 70 HB2 LYS 70 -3.753 -11.593 -2.579 554 2HB LYS 70 HB1 LYS 70 -5.021 -11.865 -3.768 555 1HG LYS 70 HG2 LYS 70 -4.894 -9.541 -4.448 556 2HG LYS 70 HG1 LYS 70 -3.639 -9.253 -3.240 557 1HD LYS 70 HD2 LYS 70 -2.280 -10.996 -4.333 558 2HD LYS 70 HD1 LYS 70 -3.492 -11.081 -5.616 559 1HE LYS 70 HE2 LYS 70 -3.167 -8.618 -5.887 560 2HE LYS 70 HE1 LYS 70 -1.789 -8.756 -4.821 561 1HZ LYS 70 HZ3 LYS 70 -2.031 -10.334 -7.316 562 2HZ LYS 70 HZ2 LYS 70 -1.116 -8.942 -7.207 563 3HZ LYS 70 HZ1 LYS 70 -0.706 -10.299 -6.292 564 H VAL 71 HN VAL 71 -4.455 -11.299 0.122 565 HA VAL 71 HA VAL 71 -5.426 -14.007 0.248 566 HB VAL 71 HB VAL 71 -3.993 -14.433 2.108 567 1HG1 VAL 71 3HG1 VAL 71 -2.789 -14.082 0.057 568 2HG1 VAL 71 2HG1 VAL 71 -2.654 -12.368 0.495 569 3HG1 VAL 71 1HG1 VAL 71 -1.832 -13.582 1.476 570 1HG2 VAL 71 3HG2 VAL 71 -4.611 -12.575 3.568 571 2HG2 VAL 71 2HG2 VAL 71 -2.855 -12.738 3.452 572 3HG2 VAL 71 1HG2 VAL 71 -3.695 -11.480 2.537 573 H ASN 72 HN ASN 72 -5.964 -11.061 1.938 574 HA ASN 72 HA ASN 72 -8.031 -12.307 3.572 575 1HB ASN 72 HB2 ASN 72 -6.596 -10.673 4.686 576 2HB ASN 72 HB1 ASN 72 -7.060 -9.441 3.519 577 1HD2 ASN 72 1HD2 ASN 72 -8.128 -11.388 6.181 578 2HD2 ASN 72 2HD2 ASN 72 -9.508 -10.444 6.599 579 H GLY 73 HN GLY 73 -8.049 -9.307 1.704 580 1HA GLY 73 HA1 GLY 73 -10.132 -10.322 0.028 581 2HA GLY 73 HA2 GLY 73 -9.385 -8.748 -0.104 582 H TYR 74 HN TYR 74 -10.143 -7.041 1.519 583 HA TYR 74 HA TYR 74 -12.992 -7.017 1.506 584 1HB TYR 74 HB2 TYR 74 -11.454 -6.927 4.124 585 2HB TYR 74 HB1 TYR 74 -13.053 -6.224 3.929 586 HD1 TYR 74 HD1 TYR 74 -11.452 -8.967 5.208 587 HD2 TYR 74 HD2 TYR 74 -14.688 -8.002 2.642 588 HE1 TYR 74 HE1 TYR 74 -12.465 -11.147 5.672 589 HE2 TYR 74 HE2 TYR 74 -15.711 -10.141 3.062 590 HH TYR 74 HH TYR 74 -14.858 -12.469 3.825 591 H ILE 75 HN ILE 75 -13.638 -5.221 1.064 592 HA ILE 75 HA ILE 75 -12.035 -2.780 1.459 593 HB ILE 75 HB ILE 75 -14.141 -3.613 -0.478 594 1HG1 ILE 75 2HG1 ILE 75 -11.530 -2.267 -1.004 595 2HG1 ILE 75 1HG1 ILE 75 -11.767 -4.009 -0.946 596 1HG2 ILE 75 1HG2 ILE 75 -14.808 -1.340 0.295 597 2HG2 ILE 75 3HG2 ILE 75 -13.184 -0.734 -0.030 598 3HG2 ILE 75 2HG2 ILE 75 -14.222 -1.229 -1.363 599 1HD1 ILE 75 3HD1 ILE 75 -13.074 -2.072 -2.867 600 2HD1 ILE 75 2HD1 ILE 75 -11.745 -3.170 -3.264 601 3HD1 ILE 75 1HD1 ILE 75 -13.334 -3.810 -2.850 602 H GLY 76 HN GLY 76 -13.008 -1.353 2.866 603 1HA GLY 76 HA1 GLY 76 -14.419 -2.005 4.869 604 2HA GLY 76 HA2 GLY 76 -15.727 -2.091 3.695 605 H VAL 77 HN VAL 77 -16.789 -0.579 4.957 606 HA VAL 77 HA VAL 77 -15.494 1.999 4.866 607 HB VAL 77 HB VAL 77 -17.531 3.193 4.584 608 1HG1 VAL 77 1HG1 VAL 77 -17.165 1.143 2.440 609 2HG1 VAL 77 3HG1 VAL 77 -18.090 2.647 2.280 610 3HG1 VAL 77 2HG1 VAL 77 -16.357 2.689 2.637 611 1HG2 VAL 77 3HG2 VAL 77 -18.870 0.522 4.489 612 2HG2 VAL 77 2HG2 VAL 77 -19.064 1.852 5.655 613 3HG2 VAL 77 1HG2 VAL 77 -19.641 2.053 3.995 614 H SER 78 HN SER 78 -15.771 3.315 6.425 615 HA SER 78 HA SER 78 -16.674 2.145 8.926 616 1HB SER 78 HB2 SER 78 -15.461 4.875 8.417 617 2HB SER 78 HB1 SER 78 -15.633 4.066 9.967 618 HG SER 78 HG SER 78 -14.066 2.696 9.490 619 H ASP 79 HN ASP 79 -17.989 3.908 10.296 620 HA ASP 79 HA ASP 79 -20.561 3.888 9.306 621 1HB ASP 79 HB2 ASP 79 -20.163 4.153 11.662 622 2HB ASP 79 HB1 ASP 79 -19.401 5.719 11.397 623 H ASN 80 HN ASN 80 -18.254 6.408 8.828 624 HA ASN 80 HA ASN 80 -20.323 8.142 7.742 625 1HB ASN 80 HB2 ASN 80 -17.405 8.635 8.295 626 2HB ASN 80 HB1 ASN 80 -18.461 9.808 7.520 627 1HD2 ASN 80 1HD2 ASN 80 -17.566 8.281 10.470 628 2HD2 ASN 80 2HD2 ASN 80 -18.518 9.254 11.509 629 H GLY 81 HN GLY 81 -19.173 5.633 6.471 630 1HA GLY 81 HA1 GLY 81 -19.299 6.606 3.793 631 2HA GLY 81 HA2 GLY 81 -19.065 4.941 4.309 632 H VAL 82 HN VAL 82 -16.854 5.354 5.885 633 HA VAL 82 HA VAL 82 -14.802 6.640 4.304 634 HB VAL 82 HB VAL 82 -14.477 4.764 6.669 635 1HG1 VAL 82 3HG1 VAL 82 -12.456 4.838 5.321 636 2HG1 VAL 82 2HG1 VAL 82 -12.458 6.600 5.382 637 3HG1 VAL 82 1HG1 VAL 82 -12.209 5.667 6.856 638 1HG2 VAL 82 1HG2 VAL 82 -15.705 6.807 7.229 639 2HG2 VAL 82 3HG2 VAL 82 -14.110 6.798 7.979 640 3HG2 VAL 82 2HG2 VAL 82 -14.400 7.781 6.547 641 H ILE 83 HN ILE 83 -13.925 5.869 2.656 642 HA ILE 83 HA ILE 83 -14.569 3.271 1.581 643 HB ILE 83 HB ILE 83 -13.097 5.558 0.185 644 1HG1 ILE 83 2HG1 ILE 83 -15.258 6.326 0.930 645 2HG1 ILE 83 1HG1 ILE 83 -15.335 6.031 -0.807 646 1HG2 ILE 83 1HG2 ILE 83 -14.586 3.167 -0.960 647 2HG2 ILE 83 3HG2 ILE 83 -13.868 4.470 -1.910 648 3HG2 ILE 83 2HG2 ILE 83 -12.840 3.375 -0.978 649 1HD1 ILE 83 3HD1 ILE 83 -16.402 3.874 -0.369 650 2HD1 ILE 83 2HD1 ILE 83 -16.323 4.223 1.358 651 3HD1 ILE 83 1HD1 ILE 83 -17.333 5.220 0.304 652 H SER 84 HN SER 84 -12.983 2.735 3.513 653 HA SER 84 HA SER 84 -10.183 2.885 2.585 654 1HB SER 84 HB2 SER 84 -10.699 3.736 4.836 655 2HB SER 84 HB1 SER 84 -11.285 2.142 5.304 656 HG SER 84 HG SER 84 -8.816 3.154 5.189 657 H THR 85 HN THR 85 -8.909 1.042 2.471 658 HA THR 85 HA THR 85 -10.385 -1.408 2.190 659 HB THR 85 HB THR 85 -8.171 -2.308 1.383 660 HG1 THR 85 HG1 THR 85 -6.875 -0.204 0.741 661 1HG2 THR 85 2HG2 THR 85 -9.244 0.147 0.008 662 2HG2 THR 85 1HG2 THR 85 -8.233 -1.094 -0.741 663 3HG2 THR 85 3HG2 THR 85 -9.848 -1.500 -0.169 664 H PHE 86 HN PHE 86 -9.929 -3.262 3.411 665 HA PHE 86 HA PHE 86 -8.509 -2.645 5.855 666 1HB PHE 86 HB2 PHE 86 -11.234 -3.871 5.568 667 2HB PHE 86 HB1 PHE 86 -10.264 -4.094 7.010 668 HD1 PHE 86 HD1 PHE 86 -10.345 -2.553 8.703 669 HD2 PHE 86 HD2 PHE 86 -11.780 -1.487 4.877 670 HE1 PHE 86 HE1 PHE 86 -11.295 -0.485 9.659 671 HE2 PHE 86 HE2 PHE 86 -12.746 0.595 5.801 672 HZ PHE 86 HZ PHE 86 -12.498 1.096 8.202 673 H HIS 87 HN HIS 87 -7.690 -4.440 6.926 674 HA HIS 87 HA HIS 87 -7.772 -6.946 5.477 675 1HB HIS 87 HB2 HIS 87 -5.720 -7.557 6.929 676 2HB HIS 87 HB1 HIS 87 -5.439 -6.375 5.672 677 HD1 HIS 87 HD1 HIS 87 -4.397 -4.178 6.420 678 HD2 HIS 87 HD2 HIS 87 -5.786 -6.453 9.604 679 HE1 HIS 87 HE1 HIS 87 -3.627 -2.998 8.513 680 H GLY 88 HN GLY 88 -9.406 -7.979 6.182 681 1HA GLY 88 HA1 GLY 88 -9.922 -8.050 9.073 682 2HA GLY 88 HA2 GLY 88 -10.382 -9.324 7.937 683 H ARG 89 HN ARG 89 -12.574 -8.894 8.953 684 HA ARG 89 HA ARG 89 -13.979 -7.277 7.207 685 1HB ARG 89 HB2 ARG 89 -14.847 -8.876 9.540 686 2HB ARG 89 HB1 ARG 89 -15.960 -7.815 8.662 687 1HG ARG 89 HG2 ARG 89 -15.171 -8.988 6.557 688 2HG ARG 89 HG1 ARG 89 -14.407 -10.169 7.618 689 1HD ARG 89 HD2 ARG 89 -16.517 -10.659 8.595 690 2HD ARG 89 HD1 ARG 89 -17.308 -9.453 7.590 691 HE ARG 89 HE ARG 89 -15.824 -11.454 6.121 692 1HH1 ARG 89 1HH1 ARG 89 -19.012 -10.703 7.448 693 2HH1 ARG 89 2HH1 ARG 89 -19.876 -11.564 6.257 694 1HH2 ARG 89 1HH2 ARG 89 -16.980 -12.630 4.493 695 2HH2 ARG 89 2HH2 ARG 89 -18.680 -12.682 4.534 696 HA PRO 90 HA PRO 90 -13.372 -3.422 9.020 697 1HB PRO 90 HB2 PRO 90 -15.439 -2.147 7.709 698 2HB PRO 90 HB1 PRO 90 -13.833 -2.452 7.039 699 1HG PRO 90 HG2 PRO 90 -16.365 -3.985 6.673 700 2HG PRO 90 HG1 PRO 90 -15.121 -3.634 5.473 701 1HD PRO 90 HD2 PRO 90 -15.368 -5.997 6.655 702 2HD PRO 90 HD1 PRO 90 -13.754 -5.417 6.242 703 H GLU 91 HN GLU 91 -13.865 -3.734 11.082 704 HA GLU 91 HA GLU 91 -16.327 -2.413 11.891 705 1HB GLU 91 HB2 GLU 91 -16.614 -3.985 13.771 706 2HB GLU 91 HB1 GLU 91 -16.545 -4.869 12.273 707 1HG GLU 91 HG2 GLU 91 -14.219 -5.461 12.733 708 2HG GLU 91 HG1 GLU 91 -14.314 -4.585 14.261 709 HA PRO 92 HA PRO 92 -13.557 0.183 14.188 710 1HB PRO 92 HB2 PRO 92 -14.409 0.061 16.795 711 2HB PRO 92 HB1 PRO 92 -15.112 1.146 15.572 712 1HG PRO 92 HG2 PRO 92 -16.073 -1.444 16.667 713 2HG PRO 92 HG1 PRO 92 -17.013 -0.067 16.076 714 1HD PRO 92 HD2 PRO 92 -16.621 -2.384 14.708 715 2HD PRO 92 HD1 PRO 92 -16.936 -0.823 13.890 716 H ALA 93 HN ALA 93 -13.944 -2.994 15.412 717 HA ALA 93 HA ALA 93 -11.645 -2.915 17.123 718 1HB ALA 93 HB3 ALA 93 -13.501 -4.418 17.566 719 2HB ALA 93 HB1 ALA 93 -12.003 -5.328 17.344 720 3HB ALA 93 HB2 ALA 93 -13.205 -5.258 16.046 721 H SER 94 HN SER 94 -12.131 -3.015 13.824 722 HA SER 94 HA SER 94 -9.533 -4.236 13.293 723 1HB SER 94 HB2 SER 94 -11.741 -3.362 11.416 724 2HB SER 94 HB1 SER 94 -10.311 -4.306 10.997 725 HG SER 94 HG SER 94 -11.224 -5.679 12.825 726 H GLU 95 HN GLU 95 -8.270 -2.894 11.566 727 HA GLU 95 HA GLU 95 -8.709 -0.083 12.189 728 1HB GLU 95 HB2 GLU 95 -6.321 0.320 12.091 729 2HB GLU 95 HB1 GLU 95 -6.667 -0.942 13.260 730 1HG GLU 95 HG2 GLU 95 -5.949 -2.634 11.689 731 2HG GLU 95 HG1 GLU 95 -5.730 -1.380 10.461 732 HA PRO 96 HA PRO 96 -8.868 0.461 7.722 733 1HB PRO 96 HB2 PRO 96 -8.166 3.272 8.148 734 2HB PRO 96 HB1 PRO 96 -9.692 2.595 7.581 735 1HG PRO 96 HG2 PRO 96 -9.427 3.770 10.005 736 2HG PRO 96 HG1 PRO 96 -10.565 2.446 9.698 737 1HD PRO 96 HD2 PRO 96 -7.859 2.348 10.992 738 2HD PRO 96 HD1 PRO 96 -9.372 1.523 11.442 739 H ILE 97 HN ILE 97 -7.376 0.797 6.050 740 HA ILE 97 HA ILE 97 -4.620 0.758 6.960 741 HB ILE 97 HB ILE 97 -5.793 0.278 4.202 742 1HG1 ILE 97 2HG1 ILE 97 -4.611 -1.709 6.152 743 2HG1 ILE 97 1HG1 ILE 97 -6.328 -1.353 6.063 744 1HG2 ILE 97 2HG2 ILE 97 -2.962 -0.126 5.209 745 2HG2 ILE 97 1HG2 ILE 97 -3.570 -0.624 3.628 746 3HG2 ILE 97 3HG2 ILE 97 -3.484 1.089 4.040 747 1HD1 ILE 97 3HD1 ILE 97 -4.673 -2.468 3.807 748 2HD1 ILE 97 2HD1 ILE 97 -5.761 -3.380 4.876 749 3HD1 ILE 97 1HD1 ILE 97 -6.414 -2.148 3.805 750 H GLN 98 HN GLN 98 -6.638 2.637 4.800 751 HA GLN 98 HA GLN 98 -4.958 4.991 5.142 752 1HB GLN 98 HB2 GLN 98 -4.639 5.370 2.806 753 2HB GLN 98 HB1 GLN 98 -4.330 3.655 2.961 754 1HG GLN 98 HG2 GLN 98 -6.895 4.912 1.961 755 2HG GLN 98 HG1 GLN 98 -5.646 4.165 0.977 756 1HE2 GLN 98 1HE2 GLN 98 -5.255 1.934 2.745 757 2HE2 GLN 98 2HE2 GLN 98 -6.668 0.942 2.530 758 H SER 99 HN SER 99 -6.537 6.658 3.486 759 HA SER 99 HA SER 99 -9.184 5.684 3.759 760 1HB SER 99 HB2 SER 99 -8.868 6.962 5.843 761 2HB SER 99 HB1 SER 99 -8.427 8.390 4.894 762 HG SER 99 HG SER 99 -10.455 8.677 4.326 763 H PHE 100 HN PHE 100 -9.935 5.850 1.761 764 HA PHE 100 HA PHE 100 -8.875 7.802 -0.039 765 1HB PHE 100 HB2 PHE 100 -11.000 5.697 -0.429 766 2HB PHE 100 HB1 PHE 100 -10.618 6.884 -1.671 767 HD1 PHE 100 HD1 PHE 100 -8.238 6.994 -2.514 768 HD2 PHE 100 HD2 PHE 100 -9.752 3.749 -0.228 769 HE1 PHE 100 HE1 PHE 100 -6.419 5.573 -3.345 770 HE2 PHE 100 HE2 PHE 100 -7.929 2.321 -1.049 771 HZ PHE 100 HZ PHE 100 -6.262 3.230 -2.614 772 H PHE 101 HN PHE 101 -12.280 7.114 0.611 773 HA PHE 101 HA PHE 101 -12.737 10.008 0.738 774 1HB PHE 101 HB2 PHE 101 -14.239 7.932 -0.846 775 2HB PHE 101 HB1 PHE 101 -15.001 9.433 -0.352 776 HD1 PHE 101 HD1 PHE 101 -12.210 8.019 -2.341 777 HD2 PHE 101 HD2 PHE 101 -14.688 11.350 -1.533 778 HE1 PHE 101 HE1 PHE 101 -11.307 9.143 -4.340 779 HE2 PHE 101 HE2 PHE 101 -13.791 12.515 -3.535 780 HZ PHE 101 HZ PHE 101 -12.101 11.399 -4.939 781 H GLN 102 HN GLN 102 -14.736 10.564 1.870 782 HA GLN 102 HA GLN 102 -15.787 8.478 3.565 783 1HB GLN 102 HB2 GLN 102 -14.408 10.326 4.651 784 2HB GLN 102 HB1 GLN 102 -15.587 11.485 4.077 785 1HG GLN 102 HG2 GLN 102 -17.277 10.109 5.198 786 2HG GLN 102 HG1 GLN 102 -15.938 9.252 5.947 787 1HE2 GLN 102 1HE2 GLN 102 -14.570 10.346 7.374 788 2HE2 GLN 102 2HE2 GLN 102 -15.035 11.816 8.130 789 H ILE 103 HN ILE 103 -17.912 8.150 2.883 790 HA ILE 103 HA ILE 103 -19.189 10.302 1.347 791 HB ILE 103 HB ILE 103 -19.913 8.770 -0.437 792 1HG1 ILE 103 2HG1 ILE 103 -18.598 6.547 1.146 793 2HG1 ILE 103 1HG1 ILE 103 -20.321 6.870 1.189 794 1HG2 ILE 103 3HG2 ILE 103 -17.602 9.612 -0.662 795 2HG2 ILE 103 2HG2 ILE 103 -17.025 8.182 0.166 796 3HG2 ILE 103 1HG2 ILE 103 -17.832 8.020 -1.385 797 1HD1 ILE 103 2HD1 ILE 103 -18.756 6.128 -1.267 798 2HD1 ILE 103 1HD1 ILE 103 -19.816 5.058 -0.322 799 3HD1 ILE 103 3HD1 ILE 103 -20.492 6.447 -1.166 800 H ASP 104 HN ASP 104 -21.506 10.223 1.299 801 HA ASP 104 HA ASP 104 -22.643 9.356 3.730 802 1HB ASP 104 HB2 ASP 104 -23.603 10.774 1.323 803 2HB ASP 104 HB1 ASP 104 -24.837 10.100 2.372 804 H LEU 105 HN LEU 105 -23.181 7.406 4.194 805 HA LEU 105 HA LEU 105 -23.654 5.495 2.160 806 1HB LEU 105 HB2 LEU 105 -24.069 5.308 5.124 807 2HB LEU 105 HB1 LEU 105 -24.350 3.988 4.022 808 HG LEU 105 HG LEU 105 -21.764 5.207 4.888 809 1HD1 LEU 105 2HD1 LEU 105 -22.942 2.455 4.820 810 2HD1 LEU 105 1HD1 LEU 105 -21.284 2.817 5.338 811 3HD1 LEU 105 3HD1 LEU 105 -22.664 3.462 6.235 812 1HD2 LEU 105 3HD2 LEU 105 -22.169 3.388 2.491 813 2HD2 LEU 105 2HD2 LEU 105 -21.584 5.051 2.450 814 3HD2 LEU 105 1HD2 LEU 105 -20.612 3.801 3.211 815 H GLU 106 HN GLU 106 -25.557 7.583 4.096 816 HA GLU 106 HA GLU 106 -28.015 6.360 3.508 817 1HB GLU 106 HB2 GLU 106 -29.017 8.538 4.221 818 2HB GLU 106 HB1 GLU 106 -27.914 7.803 5.376 819 1HG GLU 106 HG2 GLU 106 -26.201 9.356 4.849 820 2HG GLU 106 HG1 GLU 106 -27.116 10.022 3.504 821 H ARG 107 HN ARG 107 -25.890 8.347 1.648 822 HA ARG 107 HA ARG 107 -27.989 8.997 -0.227 823 1HB ARG 107 HB2 ARG 107 -26.545 10.521 -1.195 824 2HB ARG 107 HB1 ARG 107 -25.888 10.406 0.431 825 1HG ARG 107 HG2 ARG 107 -24.166 8.925 -0.288 826 2HG ARG 107 HG1 ARG 107 -24.895 8.886 -1.903 827 1HD ARG 107 HD2 ARG 107 -23.628 11.325 -0.587 828 2HD ARG 107 HD1 ARG 107 -22.970 10.371 -1.897 829 HE ARG 107 HE ARG 107 -25.508 11.163 -2.565 830 1HH1 ARG 107 1HH1 ARG 107 -22.503 12.898 -1.877 831 2HH1 ARG 107 2HH1 ARG 107 -22.598 13.895 -3.249 832 1HH2 ARG 107 1HH2 ARG 107 -25.632 12.567 -4.442 833 2HH2 ARG 107 2HH2 ARG 107 -24.447 13.748 -4.732 834 H LEU 108 HN LEU 108 -25.768 6.530 0.395 835 HA LEU 108 HA LEU 108 -25.675 5.245 -2.155 836 1HB LEU 108 HB2 LEU 108 -25.392 4.279 0.637 837 2HB LEU 108 HB1 LEU 108 -25.836 3.092 -0.565 838 HG LEU 108 HG LEU 108 -23.470 3.037 -0.185 839 1HD1 LEU 108 2HD1 LEU 108 -24.173 2.483 -2.315 840 2HD1 LEU 108 1HD1 LEU 108 -23.990 4.152 -2.862 841 3HD1 LEU 108 3HD1 LEU 108 -22.576 3.235 -2.318 842 1HD2 LEU 108 3HD2 LEU 108 -23.567 5.956 -0.613 843 2HD2 LEU 108 2HD2 LEU 108 -22.860 4.901 0.646 844 3HD2 LEU 108 1HD2 LEU 108 -22.088 4.981 -0.909 845 H GLU 109 HN GLU 109 -26.784 3.163 -2.635 846 HA GLU 109 HA GLU 109 -29.423 4.010 -2.992 847 1HB GLU 109 HB2 GLU 109 -29.501 1.613 -4.132 848 2HB GLU 109 HB1 GLU 109 -28.834 3.039 -4.900 849 1HG GLU 109 HG2 GLU 109 -27.437 1.250 -5.262 850 2HG GLU 109 HG1 GLU 109 -26.594 2.343 -4.192 851 H SER 110 HN SER 110 -28.181 1.020 -1.593 852 HA SER 110 HA SER 110 -29.934 1.019 0.581 853 1HB SER 110 HB2 SER 110 -30.558 -1.000 -1.616 854 2HB SER 110 HB1 SER 110 -31.269 -0.979 -0.008 855 HG SER 110 HG SER 110 -31.548 1.408 -1.164 856 H HIS 111 HN HIS 111 -28.685 -1.595 -1.529 857 HA HIS 111 HA HIS 111 -27.685 -2.866 0.846 858 1HB HIS 111 HB2 HIS 111 -27.374 -4.881 -0.491 859 2HB HIS 111 HB1 HIS 111 -29.002 -4.240 -0.649 860 HD1 HIS 111 HD1 HIS 111 -25.882 -4.919 -2.592 861 HD2 HIS 111 HD2 HIS 111 -29.668 -3.332 -3.216 862 HE1 HIS 111 HE1 HIS 111 -26.174 -4.784 -5.075 863 H MET 112 HN MET 112 -26.209 -1.109 -1.735 864 HA MET 112 HA MET 112 -23.746 -2.449 -1.801 865 1HB MET 112 HB2 MET 112 -24.343 0.449 -2.296 866 2HB MET 112 HB1 MET 112 -22.751 -0.271 -2.505 867 1HG MET 112 HG2 MET 112 -23.722 -1.780 -4.219 868 2HG MET 112 HG1 MET 112 -25.264 -0.939 -3.975 869 1HE MET 112 HE1 MET 112 -21.469 -0.260 -4.738 870 2HE MET 112 HE3 MET 112 -21.547 1.377 -5.396 871 3HE MET 112 HE2 MET 112 -21.969 1.088 -3.707 872 H GLN 113 HN GLN 113 -24.815 0.220 0.205 873 HA GLN 113 HA GLN 113 -22.358 0.545 1.414 874 1HB GLN 113 HB2 GLN 113 -23.599 1.612 3.324 875 2HB GLN 113 HB1 GLN 113 -23.782 2.377 1.743 876 1HG GLN 113 HG2 GLN 113 -25.955 2.018 1.748 877 2HG GLN 113 HG1 GLN 113 -25.661 0.369 2.395 878 1HE2 GLN 113 1HE2 GLN 113 -26.378 3.666 3.239 879 2HE2 GLN 113 2HE2 GLN 113 -26.677 3.362 4.905 880 H LYS 114 HN LYS 114 -25.128 -1.610 2.602 881 HA LYS 114 HA LYS 114 -23.903 -2.537 4.785 882 1HB LYS 114 HB2 LYS 114 -25.724 -3.817 2.798 883 2HB LYS 114 HB1 LYS 114 -25.240 -4.596 4.291 884 1HG LYS 114 HG2 LYS 114 -27.349 -3.660 4.533 885 2HG LYS 114 HG1 LYS 114 -26.213 -2.672 5.514 886 1HD LYS 114 HD2 LYS 114 -26.359 -0.993 3.774 887 2HD LYS 114 HD1 LYS 114 -27.451 -2.027 2.842 888 1HE LYS 114 HE2 LYS 114 -29.026 -1.987 4.774 889 2HE LYS 114 HE1 LYS 114 -27.938 -0.852 5.570 890 1HZ LYS 114 HZ2 LYS 114 -29.270 -0.391 2.971 891 2HZ LYS 114 HZ1 LYS 114 -29.795 0.243 4.428 892 3HZ LYS 114 HZ3 LYS 114 -28.320 0.728 3.777 893 H ASN 115 HN ASN 115 -23.278 -3.454 1.401 894 HA ASN 115 HA ASN 115 -21.881 -5.843 2.104 895 1HB ASN 115 HB2 ASN 115 -22.923 -5.318 -0.185 896 2HB ASN 115 HB1 ASN 115 -21.570 -4.240 -0.444 897 1HD2 ASN 115 1HD2 ASN 115 -21.097 -5.484 -2.250 898 2HD2 ASN 115 2HD2 ASN 115 -20.236 -6.981 -2.130 899 H LEU 116 HN LEU 116 -21.098 -2.519 1.625 900 HA LEU 116 HA LEU 116 -18.268 -2.709 1.792 901 1HB LEU 116 HB2 LEU 116 -20.100 -0.408 2.488 902 2HB LEU 116 HB1 LEU 116 -18.379 -0.318 2.220 903 HG LEU 116 HG LEU 116 -20.409 -0.988 0.041 904 1HD1 LEU 116 3HD1 LEU 116 -20.636 1.276 0.906 905 2HD1 LEU 116 2HD1 LEU 116 -18.938 1.551 0.511 906 3HD1 LEU 116 1HD1 LEU 116 -20.086 1.179 -0.770 907 1HD2 LEU 116 1HD2 LEU 116 -18.163 -1.937 -0.289 908 2HD2 LEU 116 3HD2 LEU 116 -18.567 -0.677 -1.456 909 3HD2 LEU 116 2HD2 LEU 116 -17.478 -0.316 -0.109 910 H LEU 117 HN LEU 117 -20.901 -2.441 4.139 911 HA LEU 117 HA LEU 117 -19.447 -1.777 6.431 912 1HB LEU 117 HB2 LEU 117 -21.967 -3.423 6.278 913 2HB LEU 117 HB1 LEU 117 -21.325 -2.665 7.716 914 HG LEU 117 HG LEU 117 -22.449 -1.279 5.296 915 1HD1 LEU 117 2HD1 LEU 117 -24.116 -2.290 6.781 916 2HD1 LEU 117 1HD1 LEU 117 -23.427 -1.412 8.136 917 3HD1 LEU 117 3HD1 LEU 117 -24.186 -0.525 6.815 918 1HD2 LEU 117 3HD2 LEU 117 -21.252 -0.120 7.797 919 2HD2 LEU 117 2HD2 LEU 117 -20.626 -0.026 6.137 920 3HD2 LEU 117 1HD2 LEU 117 -22.142 0.778 6.550 921 H LYS 118 HN LYS 118 -20.256 -4.993 5.140 922 HA LYS 118 HA LYS 118 -18.527 -6.020 7.285 923 1HB LYS 118 HB2 LYS 118 -19.247 -8.242 6.970 924 2HB LYS 118 HB1 LYS 118 -20.682 -7.245 6.953 925 1HG LYS 118 HG2 LYS 118 -19.301 -8.200 4.492 926 2HG LYS 118 HG1 LYS 118 -20.544 -9.120 5.353 927 1HD LYS 118 HD2 LYS 118 -20.997 -6.335 4.307 928 2HD LYS 118 HD1 LYS 118 -21.388 -7.771 3.374 929 1HE LYS 118 HE2 LYS 118 -22.477 -7.120 6.101 930 2HE LYS 118 HE1 LYS 118 -23.340 -6.872 4.581 931 1HZ LYS 118 HZ1 LYS 118 -23.246 -9.275 4.214 932 2HZ LYS 118 HZ3 LYS 118 -22.465 -9.504 5.695 933 3HZ LYS 118 HZ2 LYS 118 -24.021 -8.895 5.652 934 H GLY 119 HN GLY 119 -18.324 -5.279 4.029 935 1HA GLY 119 HA1 GLY 119 -15.653 -6.441 4.116 936 2HA GLY 119 HA2 GLY 119 -16.059 -4.921 3.338 937 H ILE 120 HN ILE 120 -15.642 -5.250 1.320 938 HA ILE 120 HA ILE 120 -17.155 -7.182 -0.177 939 HB ILE 120 HB ILE 120 -14.797 -5.635 -1.288 940 1HG1 ILE 120 2HG1 ILE 120 -16.220 -3.936 -0.341 941 2HG1 ILE 120 1HG1 ILE 120 -16.543 -3.962 -2.073 942 1HG2 ILE 120 3HG2 ILE 120 -15.659 -7.475 -2.648 943 2HG2 ILE 120 2HG2 ILE 120 -17.271 -6.811 -2.561 944 3HG2 ILE 120 1HG2 ILE 120 -16.005 -5.927 -3.436 945 1HD1 ILE 120 2HD1 ILE 120 -18.538 -5.349 -1.607 946 2HD1 ILE 120 1HD1 ILE 120 -18.150 -5.195 0.099 947 3HD1 ILE 120 3HD1 ILE 120 -18.627 -3.769 -0.819 948 HA PRO 121 HA PRO 121 -14.187 -10.297 0.840 949 1HB PRO 121 HB2 PRO 121 -15.480 -12.381 -0.216 950 2HB PRO 121 HB1 PRO 121 -16.110 -11.535 1.207 951 1HG PRO 121 HG2 PRO 121 -16.852 -11.170 -1.677 952 2HG PRO 121 HG1 PRO 121 -17.949 -11.395 -0.308 953 1HD PRO 121 HD2 PRO 121 -17.429 -8.988 -1.306 954 2HD PRO 121 HD1 PRO 121 -17.662 -9.245 0.440 955 H PHE 122 HN PHE 122 -14.849 -9.218 -2.201 956 HA PHE 122 HA PHE 122 -12.767 -10.975 -3.336 957 1HB PHE 122 HB2 PHE 122 -15.051 -11.513 -4.238 958 2HB PHE 122 HB1 PHE 122 -15.074 -9.911 -4.970 959 HD1 PHE 122 HD1 PHE 122 -13.783 -9.426 -6.946 960 HD2 PHE 122 HD2 PHE 122 -13.454 -13.199 -5.002 961 HE1 PHE 122 HE1 PHE 122 -12.542 -10.313 -8.873 962 HE2 PHE 122 HE2 PHE 122 -12.220 -14.088 -6.925 963 HZ PHE 122 HZ PHE 122 -11.757 -12.651 -8.861 964 H ARG 123 HN ARG 123 -11.019 -9.937 -3.867 965 HA ARG 123 HA ARG 123 -11.274 -7.260 -4.985 966 1HB ARG 123 HB2 ARG 123 -9.338 -8.083 -2.823 967 2HB ARG 123 HB1 ARG 123 -9.229 -6.582 -3.723 968 1HG ARG 123 HG2 ARG 123 -11.396 -5.880 -2.836 969 2HG ARG 123 HG1 ARG 123 -11.531 -7.401 -1.954 970 1HD ARG 123 HD2 ARG 123 -10.767 -5.647 -0.456 971 2HD ARG 123 HD1 ARG 123 -9.505 -6.835 -0.698 972 HE ARG 123 HE ARG 123 -9.188 -4.787 -2.557 973 1HH1 ARG 123 1HH1 ARG 123 -8.972 -5.072 1.017 974 2HH1 ARG 123 2HH1 ARG 123 -7.514 -4.211 1.093 975 1HH2 ARG 123 1HH2 ARG 123 -7.237 -3.485 -2.328 976 2HH2 ARG 123 2HH2 ARG 123 -6.524 -3.263 -0.820 977 H THR 124 HN THR 124 -10.022 -6.827 -6.634 978 HA THR 124 HA THR 124 -7.507 -8.042 -7.140 979 HB THR 124 HB THR 124 -9.584 -8.049 -9.394 980 HG1 THR 124 HG1 THR 124 -9.252 -9.889 -7.354 981 1HG2 THR 124 2HG2 THR 124 -6.959 -9.499 -9.041 982 2HG2 THR 124 1HG2 THR 124 -8.009 -9.577 -10.463 983 3HG2 THR 124 3HG2 THR 124 -7.252 -8.054 -10.019 984 H LYS 125 HN LYS 125 -6.833 -6.529 -9.407 985 HA LYS 125 HA LYS 125 -6.995 -3.997 -8.175 986 1HB LYS 125 HB2 LYS 125 -5.606 -3.116 -9.907 987 2HB LYS 125 HB1 LYS 125 -5.018 -4.684 -9.429 988 1HG LYS 125 HG2 LYS 125 -5.602 -5.709 -11.416 989 2HG LYS 125 HG1 LYS 125 -6.816 -4.487 -11.806 990 1HD LYS 125 HD2 LYS 125 -3.857 -3.975 -11.726 991 2HD LYS 125 HD1 LYS 125 -4.731 -4.371 -13.206 992 1HE LYS 125 HE2 LYS 125 -6.106 -2.367 -12.947 993 2HE LYS 125 HE1 LYS 125 -5.323 -1.980 -11.426 994 1HZ LYS 125 HZ2 LYS 125 -3.974 -2.053 -14.073 995 2HZ LYS 125 HZ1 LYS 125 -4.453 -0.672 -13.225 996 3HZ LYS 125 HZ3 LYS 125 -3.251 -1.662 -12.586 997 H ALA 126 HN ALA 126 -8.637 -5.285 -11.032 998 HA ALA 126 HA ALA 126 -9.618 -2.692 -11.809 999 1HB ALA 126 HB3 ALA 126 -10.413 -5.446 -12.724 1000 2HB ALA 126 HB1 ALA 126 -9.178 -4.429 -13.460 1001 3HB ALA 126 HB2 ALA 126 -10.876 -3.933 -13.509 1002 H GLU 127 HN GLU 127 -10.571 -5.379 -10.050 1003 HA GLU 127 HA GLU 127 -13.354 -4.903 -9.766 1004 1HB GLU 127 HB2 GLU 127 -11.509 -6.292 -7.833 1005 2HB GLU 127 HB1 GLU 127 -13.220 -6.614 -8.110 1006 1HG GLU 127 HG2 GLU 127 -11.160 -6.940 -10.232 1007 2HG GLU 127 HG1 GLU 127 -11.493 -8.264 -9.169 1008 H PHE 128 HN PHE 128 -10.477 -4.052 -7.932 1009 HA PHE 128 HA PHE 128 -11.762 -2.698 -5.789 1010 1HB PHE 128 HB2 PHE 128 -9.570 -3.445 -5.333 1011 2HB PHE 128 HB1 PHE 128 -8.937 -2.787 -6.835 1012 HD1 PHE 128 HD1 PHE 128 -9.959 -1.994 -3.415 1013 HD2 PHE 128 HD2 PHE 128 -8.350 -0.474 -7.031 1014 HE1 PHE 128 HE1 PHE 128 -9.266 0.059 -2.245 1015 HE2 PHE 128 HE2 PHE 128 -7.640 1.582 -5.868 1016 HZ PHE 128 HZ PHE 128 -8.108 1.844 -3.472 1017 H GLU 129 HN GLU 129 -10.142 -1.534 -8.744 1018 HA GLU 129 HA GLU 129 -10.596 1.127 -7.971 1019 1HB GLU 129 HB2 GLU 129 -9.817 1.754 -10.206 1020 2HB GLU 129 HB1 GLU 129 -8.746 0.620 -9.407 1021 1HG GLU 129 HG2 GLU 129 -9.469 -1.149 -10.690 1022 2HG GLU 129 HG1 GLU 129 -10.831 -0.242 -11.350 1023 H ASP 130 HN ASP 130 -12.518 -1.166 -9.702 1024 HA ASP 130 HA ASP 130 -14.257 0.686 -10.951 1025 1HB ASP 130 HB2 ASP 130 -14.210 -1.717 -11.536 1026 2HB ASP 130 HB1 ASP 130 -14.926 -2.088 -9.980 1027 H VAL 131 HN VAL 131 -14.389 -1.047 -7.924 1028 HA VAL 131 HA VAL 131 -16.837 0.149 -7.154 1029 HB VAL 131 HB VAL 131 -16.261 -1.988 -6.088 1030 1HG1 VAL 131 2HG1 VAL 131 -13.878 -1.796 -6.113 1031 2HG1 VAL 131 1HG1 VAL 131 -13.949 -0.611 -4.811 1032 3HG1 VAL 131 3HG1 VAL 131 -14.482 -2.268 -4.519 1033 1HG2 VAL 131 3HG2 VAL 131 -16.216 0.205 -4.050 1034 2HG2 VAL 131 2HG2 VAL 131 -17.665 -0.552 -4.738 1035 3HG2 VAL 131 1HG2 VAL 131 -16.545 -1.496 -3.732 1036 H ILE 132 HN ILE 132 -13.479 1.001 -6.586 1037 HA ILE 132 HA ILE 132 -14.076 3.136 -4.863 1038 HB ILE 132 HB ILE 132 -11.646 2.095 -6.166 1039 1HG1 ILE 132 2HG1 ILE 132 -10.674 2.468 -3.936 1040 2HG1 ILE 132 1HG1 ILE 132 -12.126 3.327 -3.448 1041 1HG2 ILE 132 2HG2 ILE 132 -11.490 4.340 -7.004 1042 2HG2 ILE 132 1HG2 ILE 132 -11.695 5.002 -5.384 1043 3HG2 ILE 132 3HG2 ILE 132 -10.249 4.059 -5.779 1044 1HD1 ILE 132 2HD1 ILE 132 -11.957 0.414 -4.197 1045 2HD1 ILE 132 1HD1 ILE 132 -12.080 1.062 -2.561 1046 3HD1 ILE 132 3HD1 ILE 132 -13.416 1.267 -3.694 1047 H GLU 133 HN GLU 133 -13.725 3.022 -8.396 1048 HA GLU 133 HA GLU 133 -13.948 5.825 -8.638 1049 1HB GLU 133 HB2 GLU 133 -14.271 5.503 -11.007 1050 2HB GLU 133 HB1 GLU 133 -12.936 4.490 -10.442 1051 1HG GLU 133 HG2 GLU 133 -14.474 2.600 -10.451 1052 2HG GLU 133 HG1 GLU 133 -15.709 3.679 -11.115 1053 H HIS 134 HN HIS 134 -16.182 3.366 -8.112 1054 HA HIS 134 HA HIS 134 -18.452 4.942 -8.893 1055 1HB HIS 134 HB2 HIS 134 -18.296 2.367 -8.810 1056 2HB HIS 134 HB1 HIS 134 -18.487 2.544 -7.069 1057 HD1 HIS 134 HD1 HIS 134 -20.393 2.827 -10.280 1058 HD2 HIS 134 HD2 HIS 134 -21.024 3.267 -6.205 1059 HE1 HIS 134 HE1 HIS 134 -22.885 2.973 -9.971 1060 H MET 135 HN MET 135 -16.922 3.922 -5.866 1061 HA MET 135 HA MET 135 -18.528 5.273 -4.016 1062 1HB MET 135 HB2 MET 135 -15.549 4.811 -3.866 1063 2HB MET 135 HB1 MET 135 -16.571 5.270 -2.524 1064 1HG MET 135 HG2 MET 135 -16.879 2.690 -4.041 1065 2HG MET 135 HG1 MET 135 -15.863 2.853 -2.627 1066 1HE MET 135 HE1 MET 135 -19.322 2.189 -4.039 1067 2HE MET 135 HE3 MET 135 -20.398 2.421 -2.681 1068 3HE MET 135 HE2 MET 135 -19.799 3.835 -3.561 1069 H LYS 136 HN LYS 136 -15.799 6.483 -5.894 1070 HA LYS 136 HA LYS 136 -15.651 8.961 -4.556 1071 1HB LYS 136 HB2 LYS 136 -14.191 9.741 -6.317 1072 2HB LYS 136 HB1 LYS 136 -13.763 8.110 -5.817 1073 1HG LYS 136 HG2 LYS 136 -14.908 7.223 -7.769 1074 2HG LYS 136 HG1 LYS 136 -15.324 8.855 -8.261 1075 1HD LYS 136 HD2 LYS 136 -13.346 7.969 -9.470 1076 2HD LYS 136 HD1 LYS 136 -13.014 9.442 -8.561 1077 1HE LYS 136 HE2 LYS 136 -11.977 8.177 -6.801 1078 2HE LYS 136 HE1 LYS 136 -12.404 6.649 -7.559 1079 1HZ LYS 136 HZ3 LYS 136 -10.952 7.334 -9.442 1080 2HZ LYS 136 HZ2 LYS 136 -10.548 8.726 -8.586 1081 3HZ LYS 136 HZ1 LYS 136 -10.093 7.233 -8.003 1082 H THR 137 HN THR 137 -17.916 7.848 -6.926 1083 HA THR 137 HA THR 137 -18.435 10.505 -7.838 1084 HB THR 137 HB THR 137 -18.931 8.294 -9.189 1085 HG1 THR 137 HG1 THR 137 -19.524 10.315 -9.944 1086 1HG2 THR 137 1HG2 THR 137 -21.510 8.532 -7.618 1087 2HG2 THR 137 3HG2 THR 137 -21.237 7.474 -9.001 1088 3HG2 THR 137 2HG2 THR 137 -20.356 7.202 -7.501 1089 H TYR 138 HN TYR 138 -19.218 8.669 -5.069 1090 HA TYR 138 HA TYR 138 -21.539 10.196 -4.376 1091 1HB TYR 138 HB2 TYR 138 -19.817 8.173 -2.856 1092 2HB TYR 138 HB1 TYR 138 -21.234 8.963 -2.160 1093 HD1 TYR 138 HD1 TYR 138 -20.285 6.981 -5.164 1094 HD2 TYR 138 HD2 TYR 138 -23.256 7.793 -2.257 1095 HE1 TYR 138 HE1 TYR 138 -21.771 5.332 -6.222 1096 HE2 TYR 138 HE2 TYR 138 -24.747 6.240 -3.340 1097 HH TYR 138 HH TYR 138 -25.045 5.311 -5.549 1098 H SER 139 HN SER 139 -18.277 9.695 -3.147 1099 HA SER 139 HA SER 139 -16.789 10.919 -2.059 1100 1HB SER 139 HB2 SER 139 -16.287 13.128 -3.056 1101 2HB SER 139 HB1 SER 139 -16.400 11.817 -4.221 1102 HG SER 139 HG SER 139 -18.811 12.889 -3.918 1103 H GLY 140 HN GLY 140 -19.694 11.202 -0.969 1104 1HA GLY 140 HA1 GLY 140 -19.412 13.716 0.355 1105 2HA GLY 140 HA2 GLY 140 -19.472 12.245 1.335 No H/Q in entry = 1105 Start of MODEL 17 1 H1 ALA 1 HT3 ALA 1 27.386 15.169 2.375 2 H2 ALA 1 HT2 ALA 1 26.108 16.080 2.967 3 H3 ALA 1 HT1 ALA 1 27.435 15.690 3.963 4 HA ALA 1 HA ALA 1 25.638 14.264 4.556 5 1HB ALA 1 HB1 ALA 1 25.745 13.470 1.639 6 2HB ALA 1 HB3 ALA 1 24.780 12.670 2.880 7 3HB ALA 1 HB2 ALA 1 24.427 14.337 2.431 8 H GLU 2 HN GLU 2 26.069 11.847 4.861 9 HA GLU 2 HA GLU 2 28.910 11.472 4.913 10 1HB GLU 2 HB2 GLU 2 27.277 10.589 6.677 11 2HB GLU 2 HB1 GLU 2 26.801 9.382 5.493 12 1HG GLU 2 HG2 GLU 2 29.174 8.624 5.390 13 2HG GLU 2 HG1 GLU 2 29.536 9.751 6.691 14 H VAL 3 HN VAL 3 30.056 10.031 3.644 15 HA VAL 3 HA VAL 3 28.716 9.576 1.097 16 HB VAL 3 HB VAL 3 30.954 9.595 0.094 17 1HG1 VAL 3 1HG1 VAL 3 29.648 11.647 0.208 18 2HG1 VAL 3 3HG1 VAL 3 30.332 12.001 1.795 19 3HG1 VAL 3 2HG1 VAL 3 31.370 11.987 0.367 20 1HG2 VAL 3 1HG2 VAL 3 31.896 10.301 2.879 21 2HG2 VAL 3 3HG2 VAL 3 32.287 8.830 1.987 22 3HG2 VAL 3 2HG2 VAL 3 32.883 10.395 1.427 23 H GLU 4 HN GLU 4 29.704 7.844 -0.227 24 HA GLU 4 HA GLU 4 29.895 5.353 1.227 25 1HB GLU 4 HB2 GLU 4 30.007 4.354 -1.047 26 2HB GLU 4 HB1 GLU 4 28.606 5.394 -0.840 27 1HG GLU 4 HG2 GLU 4 29.727 7.183 -2.065 28 2HG GLU 4 HG1 GLU 4 31.163 6.181 -2.218 29 H HIS 5 HN HIS 5 31.790 3.967 1.036 30 HA HIS 5 HA HIS 5 34.250 5.443 0.401 31 1HB HIS 5 HB2 HIS 5 33.923 3.603 2.805 32 2HB HIS 5 HB1 HIS 5 35.308 4.559 2.393 33 HD1 HIS 5 HD1 HIS 5 32.115 4.768 4.276 34 HD2 HIS 5 HD2 HIS 5 35.003 7.384 2.816 35 HE1 HIS 5 HE1 HIS 5 31.712 6.949 5.419 36 H TYR 6 HN TYR 6 36.028 3.577 0.819 37 HA TYR 6 HA TYR 6 35.563 1.435 -0.994 38 1HB TYR 6 HB2 TYR 6 37.824 1.784 -0.971 39 2HB TYR 6 HB1 TYR 6 37.698 2.621 0.568 40 HD1 TYR 6 HD1 TYR 6 38.030 1.487 2.626 41 HD2 TYR 6 HD2 TYR 6 38.428 -0.576 -1.058 42 HE1 TYR 6 HE1 TYR 6 39.239 -0.341 3.787 43 HE2 TYR 6 HE2 TYR 6 39.613 -2.408 0.074 44 HH TYR 6 HH TYR 6 39.716 -2.687 3.462 45 H GLU 7 HN GLU 7 35.182 2.038 2.300 46 HA GLU 7 HA GLU 7 34.802 -0.666 3.214 47 1HB GLU 7 HB2 GLU 7 34.054 1.982 4.448 48 2HB GLU 7 HB1 GLU 7 33.944 0.427 5.251 49 1HG GLU 7 HG2 GLU 7 36.344 0.174 5.129 50 2HG GLU 7 HG1 GLU 7 36.465 1.705 4.254 51 HA PRO 8 HA PRO 8 30.608 -0.909 1.837 52 1HB PRO 8 HB2 PRO 8 29.619 -2.623 3.620 53 2HB PRO 8 HB1 PRO 8 30.624 -3.151 2.259 54 1HG PRO 8 HG2 PRO 8 31.361 -2.724 5.133 55 2HG PRO 8 HG1 PRO 8 31.894 -4.001 4.023 56 1HD PRO 8 HD2 PRO 8 33.437 -1.875 4.627 57 2HD PRO 8 HD1 PRO 8 33.458 -2.660 3.029 58 H LEU 9 HN LEU 9 28.485 -0.653 2.551 59 HA LEU 9 HA LEU 9 28.159 1.043 4.964 60 1HB LEU 9 HB2 LEU 9 27.943 1.938 2.400 61 2HB LEU 9 HB1 LEU 9 26.372 1.250 2.603 62 HG LEU 9 HG LEU 9 26.405 3.697 2.991 63 1HD1 LEU 9 2HD1 LEU 9 25.577 2.040 5.361 64 2HD1 LEU 9 1HD1 LEU 9 25.090 3.713 5.053 65 3HD1 LEU 9 3HD1 LEU 9 24.604 2.435 3.946 66 1HD2 LEU 9 3HD2 LEU 9 28.039 2.970 5.408 67 2HD2 LEU 9 2HD2 LEU 9 28.567 3.918 4.017 68 3HD2 LEU 9 1HD2 LEU 9 27.315 4.540 5.092 69 H GLN 10 HN GLN 10 26.885 -0.060 6.401 70 HA GLN 10 HA GLN 10 25.158 -2.153 5.492 71 1HB GLN 10 HB2 GLN 10 25.783 -1.024 8.195 72 2HB GLN 10 HB1 GLN 10 24.546 -2.259 7.961 73 1HG GLN 10 HG2 GLN 10 26.229 -3.728 7.062 74 2HG GLN 10 HG1 GLN 10 27.453 -2.469 7.256 75 1HE2 GLN 10 1HE2 GLN 10 28.659 -3.727 8.549 76 2HE2 GLN 10 2HE2 GLN 10 28.245 -4.124 10.176 77 H VAL 11 HN VAL 11 23.423 -1.669 4.575 78 HA VAL 11 HA VAL 11 21.874 0.708 5.329 79 HB VAL 11 HB VAL 11 21.379 -1.034 2.955 80 1HG1 VAL 11 3HG1 VAL 11 19.663 0.518 3.472 81 2HG1 VAL 11 2HG1 VAL 11 20.815 1.861 3.471 82 3HG1 VAL 11 1HG1 VAL 11 20.465 0.988 1.976 83 1HG2 VAL 11 3HG2 VAL 11 23.701 -0.458 2.822 84 2HG2 VAL 11 2HG2 VAL 11 22.781 0.368 1.574 85 3HG2 VAL 11 1HG2 VAL 11 23.331 1.261 3.008 86 H HIS 12 HN HIS 12 20.041 0.379 6.350 87 HA HIS 12 HA HIS 12 18.789 -2.261 6.307 88 1HB HIS 12 HB2 HIS 12 19.139 -1.281 8.566 89 2HB HIS 12 HB1 HIS 12 18.242 0.151 8.080 90 HD1 HIS 12 HD1 HIS 12 16.235 -0.036 9.641 91 HD2 HIS 12 HD2 HIS 12 17.003 -3.557 7.569 92 HE1 HIS 12 HE1 HIS 12 14.273 -1.549 10.081 93 H VAL 13 HN VAL 13 17.429 -2.457 4.698 94 HA VAL 13 HA VAL 13 15.996 -0.098 3.717 95 HB VAL 13 HB VAL 13 15.750 -1.249 1.630 96 1HG1 VAL 13 2HG1 VAL 13 17.762 0.044 1.941 97 2HG1 VAL 13 1HG1 VAL 13 18.581 -1.389 2.575 98 3HG1 VAL 13 3HG1 VAL 13 18.064 -1.354 0.893 99 1HG2 VAL 13 3HG2 VAL 13 15.621 -3.554 2.406 100 2HG2 VAL 13 2HG2 VAL 13 16.833 -3.381 1.130 101 3HG2 VAL 13 1HG2 VAL 13 17.334 -3.507 2.820 102 H GLN 14 HN GLN 14 13.970 -0.025 3.741 103 HA GLN 14 HA GLN 14 12.512 -2.421 4.580 104 1HB GLN 14 HB2 GLN 14 12.132 -0.349 5.951 105 2HB GLN 14 HB1 GLN 14 11.516 0.444 4.505 106 1HG GLN 14 HG2 GLN 14 9.699 -1.144 4.363 107 2HG GLN 14 HG1 GLN 14 10.337 -2.038 5.736 108 1HE2 GLN 14 1HE2 GLN 14 8.573 0.750 4.716 109 2HE2 GLN 14 2HE2 GLN 14 8.116 1.268 6.295 110 H LEU 15 HN LEU 15 11.641 -3.489 2.997 111 HA LEU 15 HA LEU 15 11.259 -2.091 0.460 112 1HB LEU 15 HB2 LEU 15 11.607 -5.027 1.032 113 2HB LEU 15 HB1 LEU 15 11.403 -4.329 -0.556 114 HG LEU 15 HG LEU 15 13.733 -3.957 1.298 115 1HD1 LEU 15 3HD1 LEU 15 13.338 -5.516 -1.209 116 2HD1 LEU 15 2HD1 LEU 15 14.924 -5.041 -0.628 117 3HD1 LEU 15 1HD1 LEU 15 13.878 -6.082 0.373 118 1HD2 LEU 15 1HD2 LEU 15 13.292 -2.803 -1.459 119 2HD2 LEU 15 3HD2 LEU 15 13.375 -1.898 0.055 120 3HD2 LEU 15 2HD2 LEU 15 14.801 -2.737 -0.553 121 H GLU 16 HN GLU 16 9.263 -1.502 0.243 122 HA GLU 16 HA GLU 16 7.088 -3.028 1.450 123 1HB GLU 16 HB2 GLU 16 6.995 -0.475 -0.121 124 2HB GLU 16 HB1 GLU 16 5.718 -1.144 0.864 125 1HG GLU 16 HG2 GLU 16 7.003 -0.745 2.872 126 2HG GLU 16 HG1 GLU 16 8.355 -0.139 1.908 127 H LYS 17 HN LYS 17 5.393 -3.833 0.209 128 HA LYS 17 HA LYS 17 5.743 -3.875 -2.729 129 1HB LYS 17 HB2 LYS 17 4.747 -6.148 -0.989 130 2HB LYS 17 HB1 LYS 17 4.807 -6.162 -2.734 131 1HG LYS 17 HG2 LYS 17 7.230 -5.972 -0.958 132 2HG LYS 17 HG1 LYS 17 6.616 -7.462 -1.672 133 1HD LYS 17 HD2 LYS 17 6.951 -6.533 -3.908 134 2HD LYS 17 HD1 LYS 17 7.557 -5.034 -3.198 135 1HE LYS 17 HE2 LYS 17 9.387 -6.461 -3.924 136 2HE LYS 17 HE1 LYS 17 9.389 -6.247 -2.179 137 1HZ LYS 17 HZ2 LYS 17 8.339 -8.449 -1.969 138 2HZ LYS 17 HZ1 LYS 17 8.368 -8.634 -3.635 139 3HZ LYS 17 HZ3 LYS 17 9.802 -8.568 -2.768 140 H VAL 18 HN VAL 18 4.083 -2.568 -3.372 141 HA VAL 18 HA VAL 18 1.701 -2.520 -1.696 142 HB VAL 18 HB VAL 18 2.130 -0.806 -4.146 143 1HG1 VAL 18 3HG1 VAL 18 -0.097 -0.829 -3.338 144 2HG1 VAL 18 2HG1 VAL 18 0.444 -0.357 -1.724 145 3HG1 VAL 18 1HG1 VAL 18 0.641 0.752 -3.080 146 1HG2 VAL 18 3HG2 VAL 18 3.094 -0.163 -1.349 147 2HG2 VAL 18 2HG2 VAL 18 4.088 -0.434 -2.790 148 3HG2 VAL 18 1HG2 VAL 18 3.038 0.968 -2.709 149 H TYR 19 HN TYR 19 -0.036 -3.578 -2.240 150 HA TYR 19 HA TYR 19 -0.223 -4.642 -4.933 151 1HB TYR 19 HB2 TYR 19 -1.531 -5.418 -2.334 152 2HB TYR 19 HB1 TYR 19 -1.972 -6.116 -3.893 153 HD1 TYR 19 HD1 TYR 19 0.753 -5.817 -1.405 154 HD2 TYR 19 HD2 TYR 19 -0.630 -7.707 -4.936 155 HE1 TYR 19 HE1 TYR 19 2.571 -7.456 -1.223 156 HE2 TYR 19 HE2 TYR 19 1.179 -9.353 -4.774 157 HH TYR 19 HH TYR 19 3.454 -9.414 -3.765 158 H LEU 20 HN LEU 20 -2.507 -4.754 -5.770 159 HA LEU 20 HA LEU 20 -3.493 -2.124 -6.023 160 1HB LEU 20 HB2 LEU 20 -4.832 -4.734 -6.648 161 2HB LEU 20 HB1 LEU 20 -5.412 -3.163 -7.154 162 HG LEU 20 HG LEU 20 -2.805 -4.404 -8.004 163 1HD1 LEU 20 3HD1 LEU 20 -4.721 -5.602 -8.769 164 2HD1 LEU 20 2HD1 LEU 20 -5.441 -4.125 -9.417 165 3HD1 LEU 20 1HD1 LEU 20 -3.949 -4.773 -10.126 166 1HD2 LEU 20 2HD2 LEU 20 -4.262 -1.932 -8.940 167 2HD2 LEU 20 1HD2 LEU 20 -2.756 -1.970 -8.023 168 3HD2 LEU 20 3HD2 LEU 20 -2.799 -2.597 -9.672 169 H ASP 21 HN ASP 21 -4.460 -4.887 -4.153 170 HA ASP 21 HA ASP 21 -6.918 -3.819 -3.198 171 1HB ASP 21 HB2 ASP 21 -6.908 -5.725 -1.638 172 2HB ASP 21 HB1 ASP 21 -6.586 -6.211 -3.301 173 H GLY 22 HN GLY 22 -3.798 -2.995 -2.380 174 1HA GLY 22 HA1 GLY 22 -4.895 -1.704 0.003 175 2HA GLY 22 HA2 GLY 22 -3.521 -1.115 -0.915 176 H ASP 23 HN ASP 23 -3.432 -4.468 -0.350 177 HA ASP 23 HA ASP 23 -2.115 -4.234 2.154 178 1HB ASP 23 HB2 ASP 23 -3.188 -6.363 1.540 179 2HB ASP 23 HB1 ASP 23 -2.059 -6.541 0.199 180 H VAL 24 HN VAL 24 -0.073 -4.077 2.635 181 HA VAL 24 HA VAL 24 1.816 -3.954 0.409 182 HB VAL 24 HB VAL 24 2.077 -2.212 2.865 183 1HG1 VAL 24 1HG1 VAL 24 3.434 -2.130 0.216 184 2HG1 VAL 24 3HG1 VAL 24 3.651 -0.957 1.516 185 3HG1 VAL 24 2HG1 VAL 24 4.118 -2.647 1.755 186 1HG2 VAL 24 2HG2 VAL 24 0.927 -1.395 0.196 187 2HG2 VAL 24 1HG2 VAL 24 0.040 -1.480 1.714 188 3HG2 VAL 24 3HG2 VAL 24 1.327 -0.285 1.510 189 H SER 25 HN SER 25 3.125 -5.538 0.675 190 HA SER 25 HA SER 25 3.550 -6.773 3.243 191 1HB SER 25 HB2 SER 25 3.389 -8.099 1.107 192 2HB SER 25 HB1 SER 25 4.862 -7.316 0.555 193 HG SER 25 HG SER 25 4.908 -8.666 3.013 194 H ILE 26 HN ILE 26 5.209 -6.362 4.565 195 HA ILE 26 HA ILE 26 7.115 -4.332 3.680 196 HB ILE 26 HB ILE 26 6.159 -5.038 6.460 197 1HG1 ILE 26 2HG1 ILE 26 4.429 -3.875 5.216 198 2HG1 ILE 26 1HG1 ILE 26 5.085 -2.815 6.462 199 1HG2 ILE 26 3HG2 ILE 26 8.024 -2.848 5.581 200 2HG2 ILE 26 2HG2 ILE 26 7.383 -3.050 7.213 201 3HG2 ILE 26 1HG2 ILE 26 8.455 -4.277 6.525 202 1HD1 ILE 26 2HD1 ILE 26 6.413 -1.679 4.751 203 2HD1 ILE 26 1HD1 ILE 26 5.703 -2.736 3.525 204 3HD1 ILE 26 3HD1 ILE 26 4.679 -1.607 4.414 205 H GLU 27 HN GLU 27 9.054 -5.052 3.339 206 HA GLU 27 HA GLU 27 10.020 -7.414 4.788 207 1HB GLU 27 HB2 GLU 27 9.886 -7.804 2.417 208 2HB GLU 27 HB1 GLU 27 10.710 -6.301 2.065 209 1HG GLU 27 HG2 GLU 27 12.262 -8.051 1.721 210 2HG GLU 27 HG1 GLU 27 12.719 -7.232 3.195 211 H HIS 28 HN HIS 28 12.127 -7.324 5.577 212 HA HIS 28 HA HIS 28 13.299 -4.628 5.888 213 1HB HIS 28 HB2 HIS 28 13.356 -6.839 7.966 214 2HB HIS 28 HB1 HIS 28 13.913 -5.188 8.159 215 HD1 HIS 28 HD1 HIS 28 11.405 -7.085 9.501 216 HD2 HIS 28 HD2 HIS 28 11.338 -3.541 7.358 217 HE1 HIS 28 HE1 HIS 28 9.242 -5.948 10.124 218 H LYS 29 HN LYS 29 15.272 -4.686 4.871 219 HA LYS 29 HA LYS 29 16.790 -7.157 5.191 220 1HB LYS 29 HB2 LYS 29 16.693 -5.444 2.754 221 2HB LYS 29 HB1 LYS 29 17.885 -6.690 3.010 222 1HG LYS 29 HG2 LYS 29 15.635 -8.154 3.265 223 2HG LYS 29 HG1 LYS 29 15.047 -6.842 2.253 224 1HD LYS 29 HD2 LYS 29 17.512 -8.366 1.786 225 2HD LYS 29 HD1 LYS 29 15.975 -8.738 0.949 226 1HE LYS 29 HE2 LYS 29 16.048 -6.372 0.078 227 2HE LYS 29 HE1 LYS 29 17.654 -6.201 0.773 228 1HZ LYS 29 HZ1 LYS 29 18.410 -7.978 -0.727 229 2HZ LYS 29 HZ3 LYS 29 16.857 -8.078 -1.387 230 3HZ LYS 29 HZ2 LYS 29 17.760 -6.669 -1.561 231 H HIS 30 HN HIS 30 18.923 -6.944 5.356 232 HA HIS 30 HA HIS 30 19.934 -4.219 5.588 233 1HB HIS 30 HB2 HIS 30 21.404 -4.875 7.486 234 2HB HIS 30 HB1 HIS 30 19.697 -5.007 7.874 235 HD1 HIS 30 HD1 HIS 30 18.821 -7.435 8.478 236 HD2 HIS 30 HD2 HIS 30 22.846 -7.263 7.448 237 HE1 HIS 30 HE1 HIS 30 19.818 -9.622 9.187 238 H GLU 31 HN GLU 31 21.487 -3.831 4.075 239 HA GLU 31 HA GLU 31 23.235 -6.108 3.527 240 1HB GLU 31 HB2 GLU 31 23.147 -5.751 1.136 241 2HB GLU 31 HB1 GLU 31 21.536 -5.995 1.801 242 1HG GLU 31 HG2 GLU 31 21.072 -3.641 1.643 243 2HG GLU 31 HG1 GLU 31 22.688 -3.360 0.986 244 H LYS 32 HN LYS 32 25.308 -5.661 2.925 245 HA LYS 32 HA LYS 32 26.199 -2.960 3.503 246 1HB LYS 32 HB2 LYS 32 27.635 -5.545 3.124 247 2HB LYS 32 HB1 LYS 32 28.463 -4.021 3.277 248 1HG LYS 32 HG2 LYS 32 27.388 -3.733 5.450 249 2HG LYS 32 HG1 LYS 32 26.751 -5.353 5.418 250 1HD LYS 32 HD2 LYS 32 29.609 -4.415 5.542 251 2HD LYS 32 HD1 LYS 32 28.773 -5.535 6.610 252 1HE LYS 32 HE2 LYS 32 29.573 -6.056 3.753 253 2HE LYS 32 HE1 LYS 32 30.437 -6.648 5.155 254 1HZ LYS 32 HZ2 LYS 32 28.475 -7.943 5.772 255 2HZ LYS 32 HZ1 LYS 32 27.641 -7.433 4.401 256 3HZ LYS 32 HZ3 LYS 32 29.042 -8.367 4.249 257 H VAL 33 HN VAL 33 26.493 -1.654 1.905 258 HA VAL 33 HA VAL 33 26.961 -2.844 -0.745 259 HB VAL 33 HB VAL 33 25.702 -1.224 -1.748 260 1HG1 VAL 33 3HG1 VAL 33 24.768 -0.979 1.024 261 2HG1 VAL 33 2HG1 VAL 33 23.913 -0.346 -0.362 262 3HG1 VAL 33 1HG1 VAL 33 24.166 -2.117 -0.196 263 1HG2 VAL 33 2HG2 VAL 33 27.173 0.628 -1.249 264 2HG2 VAL 33 1HG2 VAL 33 25.455 1.024 -1.148 265 3HG2 VAL 33 3HG2 VAL 33 26.393 0.829 0.342 266 H PHE 34 HN PHE 34 28.655 -2.035 -2.003 267 HA PHE 34 HA PHE 34 30.775 -0.926 -0.379 268 1HB PHE 34 HB2 PHE 34 30.809 -1.892 -3.226 269 2HB PHE 34 HB1 PHE 34 32.217 -1.592 -2.205 270 HD1 PHE 34 HD1 PHE 34 31.895 -2.902 0.213 271 HD2 PHE 34 HD2 PHE 34 30.362 -4.112 -3.575 272 HE1 PHE 34 HE1 PHE 34 31.794 -5.232 0.998 273 HE2 PHE 34 HE2 PHE 34 30.253 -6.438 -2.789 274 HZ PHE 34 HZ PHE 34 30.964 -6.998 -0.505 275 H SER 35 HN SER 35 28.767 -0.159 -3.124 276 HA SER 35 HA SER 35 29.678 2.596 -2.946 277 1HB SER 35 HB2 SER 35 30.548 1.646 -5.040 278 2HB SER 35 HB1 SER 35 28.935 1.031 -5.438 279 HG SER 35 HG SER 35 29.632 3.755 -5.085 280 H MET 36 HN MET 36 28.006 3.805 -2.342 281 HA MET 36 HA MET 36 25.390 2.720 -2.149 282 1HB MET 36 HB2 MET 36 26.553 5.420 -1.685 283 2HB MET 36 HB1 MET 36 24.810 5.242 -1.756 284 1HG MET 36 HG2 MET 36 26.611 3.687 0.077 285 2HG MET 36 HG1 MET 36 25.699 5.148 0.568 286 1HE MET 36 HE1 MET 36 22.902 5.100 0.037 287 2HE MET 36 HE3 MET 36 23.132 4.172 -1.442 288 3HE MET 36 HE2 MET 36 22.059 3.570 -0.197 289 H ASP 37 HN ASP 37 27.077 4.448 -4.472 290 HA ASP 37 HA ASP 37 24.879 5.268 -6.099 291 1HB ASP 37 HB2 ASP 37 27.180 6.166 -6.321 292 2HB ASP 37 HB1 ASP 37 27.700 4.612 -6.964 293 H ASP 38 HN ASP 38 26.662 2.336 -5.746 294 HA ASP 38 HA ASP 38 25.506 0.956 -7.994 295 1HB ASP 38 HB2 ASP 38 27.667 0.191 -7.136 296 2HB ASP 38 HB1 ASP 38 26.924 0.009 -5.542 297 H PHE 39 HN PHE 39 24.825 1.320 -4.547 298 HA PHE 39 HA PHE 39 22.862 -0.582 -4.296 299 1HB PHE 39 HB2 PHE 39 23.832 0.421 -2.368 300 2HB PHE 39 HB1 PHE 39 23.319 2.026 -2.863 301 HD1 PHE 39 HD1 PHE 39 22.301 -1.109 -1.279 302 HD2 PHE 39 HD2 PHE 39 21.042 2.702 -2.616 303 HE1 PHE 39 HE1 PHE 39 20.273 -1.321 0.093 304 HE2 PHE 39 HE2 PHE 39 19.004 2.515 -1.280 305 HZ PHE 39 HZ PHE 39 18.605 0.510 0.074 306 H TRP 40 HN TRP 40 22.732 2.869 -5.164 307 HA TRP 40 HA TRP 40 19.942 3.060 -5.424 308 1HB TRP 40 HB2 TRP 40 22.067 4.690 -6.790 309 2HB TRP 40 HB1 TRP 40 20.363 5.150 -6.706 310 HD1 TRP 40 HD1 TRP 40 23.372 6.235 -5.214 311 HE1 TRP 40 HE1 TRP 40 23.147 6.966 -2.777 312 HE3 TRP 40 HE3 TRP 40 18.786 4.239 -4.201 313 HZ2 TRP 40 HZ2 TRP 40 21.246 6.750 -0.696 314 HZ3 TRP 40 HZ3 TRP 40 17.844 4.544 -1.968 315 HH2 TRP 40 HH2 TRP 40 19.044 5.775 -0.257 316 H ALA 41 HN ALA 41 22.428 2.218 -7.697 317 HA ALA 41 HA ALA 41 20.737 2.022 -9.969 318 1HB ALA 41 HB1 ALA 41 22.553 0.708 -10.973 319 2HB ALA 41 HB3 ALA 41 23.174 2.150 -10.171 320 3HB ALA 41 HB2 ALA 41 23.326 0.580 -9.390 321 H ALA 42 HN ALA 42 21.686 -0.208 -7.452 322 HA ALA 42 HA ALA 42 20.554 -2.541 -8.527 323 1HB ALA 42 HB2 ALA 42 22.166 -2.537 -6.676 324 2HB ALA 42 HB1 ALA 42 20.946 -1.824 -5.628 325 3HB ALA 42 HB3 ALA 42 20.707 -3.450 -6.268 326 H TYR 43 HN TYR 43 19.104 0.041 -6.542 327 HA TYR 43 HA TYR 43 16.494 -1.336 -6.800 328 1HB TYR 43 HB2 TYR 43 17.486 0.629 -4.733 329 2HB TYR 43 HB1 TYR 43 15.841 0.028 -4.840 330 HD1 TYR 43 HD1 TYR 43 19.331 -0.997 -4.088 331 HD2 TYR 43 HD2 TYR 43 15.239 -2.142 -4.060 332 HE1 TYR 43 HE1 TYR 43 19.903 -3.009 -2.790 333 HE2 TYR 43 HE2 TYR 43 15.794 -4.147 -2.764 334 HH TYR 43 HH TYR 43 18.895 -4.636 -1.346 335 H ALA 44 HN ALA 44 18.057 0.566 -8.593 336 HA ALA 44 HA ALA 44 16.482 2.746 -8.955 337 1HB ALA 44 HB1 ALA 44 18.026 1.185 -11.008 338 2HB ALA 44 HB2 ALA 44 18.606 2.581 -10.082 339 3HB ALA 44 HB3 ALA 44 17.313 2.767 -11.279 340 H GLY 45 HN GLY 45 14.543 2.057 -8.674 341 1HA GLY 45 HA1 GLY 45 13.159 0.214 -10.409 342 2HA GLY 45 HA2 GLY 45 12.810 1.907 -10.755 343 H TRP 46 HN TRP 46 13.509 0.380 -7.601 344 HA TRP 46 HA TRP 46 10.902 0.353 -6.587 345 1HB TRP 46 HB2 TRP 46 13.556 0.844 -5.218 346 2HB TRP 46 HB1 TRP 46 12.043 0.480 -4.409 347 HD1 TRP 46 HD1 TRP 46 14.403 -1.241 -6.962 348 HE1 TRP 46 HE1 TRP 46 14.391 -3.772 -6.425 349 HE3 TRP 46 HE3 TRP 46 11.044 -1.233 -3.142 350 HZ2 TRP 46 HZ2 TRP 46 13.135 -5.501 -4.615 351 HZ3 TRP 46 HZ3 TRP 46 10.492 -3.349 -2.061 352 HH2 TRP 46 HH2 TRP 46 11.522 -5.444 -2.788 353 H THR 47 HN THR 47 9.736 2.042 -5.430 354 HA THR 47 HA THR 47 10.445 4.680 -6.174 355 HB THR 47 HB THR 47 8.332 3.585 -4.338 356 HG1 THR 47 HG1 THR 47 8.326 4.041 -7.153 357 1HG2 THR 47 1HG2 THR 47 8.530 6.223 -5.785 358 2HG2 THR 47 3HG2 THR 47 7.130 5.657 -4.864 359 3HG2 THR 47 2HG2 THR 47 8.666 5.944 -4.042 360 H LEU 48 HN LEU 48 11.964 5.722 -5.031 361 HA LEU 48 HA LEU 48 12.728 4.962 -2.397 362 1HB LEU 48 HB2 LEU 48 14.248 5.959 -4.156 363 2HB LEU 48 HB1 LEU 48 13.397 7.470 -3.982 364 HG LEU 48 HG LEU 48 15.693 7.308 -2.902 365 1HD1 LEU 48 2HD1 LEU 48 14.156 9.078 -2.261 366 2HD1 LEU 48 1HD1 LEU 48 13.471 8.036 -1.006 367 3HD1 LEU 48 3HD1 LEU 48 15.171 8.530 -0.928 368 1HD2 LEU 48 1HD2 LEU 48 14.224 5.582 -0.930 369 2HD2 LEU 48 3HD2 LEU 48 15.537 5.078 -1.995 370 3HD2 LEU 48 2HD2 LEU 48 15.837 6.253 -0.715 371 H VAL 49 HN VAL 49 11.367 5.317 -0.765 372 HA VAL 49 HA VAL 49 9.545 7.546 -0.986 373 HB VAL 49 HB VAL 49 9.663 5.412 1.223 374 1HG1 VAL 49 3HG1 VAL 49 8.736 7.494 2.018 375 2HG1 VAL 49 2HG1 VAL 49 7.579 7.495 0.685 376 3HG1 VAL 49 1HG1 VAL 49 7.512 6.229 1.914 377 1HG2 VAL 49 1HG2 VAL 49 9.055 4.509 -0.957 378 2HG2 VAL 49 3HG2 VAL 49 7.685 4.506 0.155 379 3HG2 VAL 49 2HG2 VAL 49 7.790 5.730 -1.110 380 H GLU 50 HN GLU 50 12.123 6.402 1.166 381 HA GLU 50 HA GLU 50 13.096 9.025 1.332 382 1HB GLU 50 HB2 GLU 50 12.965 9.344 3.755 383 2HB GLU 50 HB1 GLU 50 11.358 9.375 3.024 384 1HG GLU 50 HG2 GLU 50 11.067 7.109 3.818 385 2HG GLU 50 HG1 GLU 50 12.660 7.156 4.577 386 H GLN 51 HN GLN 51 15.003 9.147 2.585 387 HA GLN 51 HA GLN 51 16.152 6.646 3.425 388 1HB GLN 51 HB2 GLN 51 18.259 7.197 2.242 389 2HB GLN 51 HB1 GLN 51 16.888 6.868 1.184 390 1HG GLN 51 HG2 GLN 51 16.611 9.193 0.710 391 2HG GLN 51 HG1 GLN 51 17.871 9.625 1.863 392 1HE2 GLN 51 1HE2 GLN 51 17.172 8.101 -1.130 393 2HE2 GLN 51 2HE2 GLN 51 18.792 8.093 -1.757 394 H LYS 52 HN LYS 52 17.623 6.856 4.985 395 HA LYS 52 HA LYS 52 18.469 9.463 5.854 396 1HB LYS 52 HB2 LYS 52 17.862 8.777 8.222 397 2HB LYS 52 HB1 LYS 52 16.546 9.345 7.174 398 1HG LYS 52 HG2 LYS 52 15.943 7.011 6.791 399 2HG LYS 52 HG1 LYS 52 17.229 6.477 7.862 400 1HD LYS 52 HD2 LYS 52 15.229 6.365 9.109 401 2HD LYS 52 HD1 LYS 52 16.068 7.809 9.673 402 1HE LYS 52 HE2 LYS 52 14.713 9.190 8.286 403 2HE LYS 52 HE1 LYS 52 13.962 7.760 7.572 404 1HZ LYS 52 HZ1 LYS 52 13.070 7.214 9.788 405 2HZ LYS 52 HZ3 LYS 52 13.683 8.646 10.415 406 3HZ LYS 52 HZ2 LYS 52 12.484 8.671 9.235 407 H LYS 53 HN LYS 53 20.439 8.965 5.320 408 HA LYS 53 HA LYS 53 22.502 8.171 5.292 409 1HB LYS 53 HB2 LYS 53 21.922 9.010 7.760 410 2HB LYS 53 HB1 LYS 53 22.442 7.369 8.111 411 1HG LYS 53 HG2 LYS 53 24.034 9.294 6.461 412 2HG LYS 53 HG1 LYS 53 24.206 9.142 8.198 413 1HD LYS 53 HD2 LYS 53 24.575 6.894 6.215 414 2HD LYS 53 HD1 LYS 53 25.902 7.890 6.808 415 1HE LYS 53 HE2 LYS 53 25.322 7.147 9.126 416 2HE LYS 53 HE1 LYS 53 24.133 6.056 8.412 417 1HZ LYS 53 HZ2 LYS 53 27.025 5.982 7.721 418 2HZ LYS 53 HZ1 LYS 53 26.330 5.027 8.931 419 3HZ LYS 53 HZ3 LYS 53 25.850 4.828 7.339 420 H GLY 54 HN GLY 54 21.372 5.911 7.546 421 1HA GLY 54 HA1 GLY 54 22.465 3.720 7.639 422 2HA GLY 54 HA2 GLY 54 22.614 3.809 5.891 423 H TYR 55 HN TYR 55 19.486 4.909 6.846 424 HA TYR 55 HA TYR 55 18.486 2.238 6.313 425 1HB TYR 55 HB2 TYR 55 17.790 2.789 8.495 426 2HB TYR 55 HB1 TYR 55 17.541 4.475 8.101 427 HD1 TYR 55 HD1 TYR 55 15.616 5.111 6.895 428 HD2 TYR 55 HD2 TYR 55 16.038 1.169 8.233 429 HE1 TYR 55 HE1 TYR 55 13.155 4.812 6.632 430 HE2 TYR 55 HE2 TYR 55 13.606 0.779 7.989 431 HH TYR 55 HH TYR 55 11.525 2.146 7.958 432 H VAL 56 HN VAL 56 17.230 2.050 4.559 433 HA VAL 56 HA VAL 56 16.361 4.521 3.260 434 HB VAL 56 HB VAL 56 17.589 2.118 1.863 435 1HG1 VAL 56 2HG1 VAL 56 16.438 4.656 0.724 436 2HG1 VAL 56 1HG1 VAL 56 17.276 3.408 -0.198 437 3HG1 VAL 56 3HG1 VAL 56 15.738 3.045 0.582 438 1HG2 VAL 56 2HG2 VAL 56 19.244 3.663 2.888 439 2HG2 VAL 56 1HG2 VAL 56 19.320 3.658 1.121 440 3HG2 VAL 56 3HG2 VAL 56 18.523 4.982 1.956 441 H LEU 57 HN LEU 57 14.310 4.488 2.498 442 HA LEU 57 HA LEU 57 12.838 2.010 2.876 443 1HB LEU 57 HB2 LEU 57 12.043 3.503 4.466 444 2HB LEU 57 HB1 LEU 57 12.223 4.883 3.410 445 HG LEU 57 HG LEU 57 10.306 4.131 2.130 446 1HD1 LEU 57 2HD1 LEU 57 10.413 1.843 2.442 447 2HD1 LEU 57 1HD1 LEU 57 9.868 1.999 4.140 448 3HD1 LEU 57 3HD1 LEU 57 8.845 2.574 2.793 449 1HD2 LEU 57 3HD2 LEU 57 9.851 4.551 5.065 450 2HD2 LEU 57 2HD2 LEU 57 9.876 5.757 3.774 451 3HD2 LEU 57 1HD2 LEU 57 8.571 4.598 3.848 452 H PHE 58 HN PHE 58 12.309 1.073 1.083 453 HA PHE 58 HA PHE 58 11.677 2.613 -1.375 454 1HB PHE 58 HB2 PHE 58 13.243 0.104 -0.978 455 2HB PHE 58 HB1 PHE 58 12.335 0.328 -2.451 456 HD1 PHE 58 HD1 PHE 58 15.411 0.734 -0.893 457 HD2 PHE 58 HD2 PHE 58 12.823 2.560 -3.693 458 HE1 PHE 58 HE1 PHE 58 17.320 1.884 -1.898 459 HE2 PHE 58 HE2 PHE 58 14.723 3.754 -4.697 460 HZ PHE 58 HZ PHE 58 16.981 3.410 -3.804 461 H ARG 59 HN ARG 59 9.985 1.911 -2.585 462 HA ARG 59 HA ARG 59 8.644 -0.509 -1.674 463 1HB ARG 59 HB2 ARG 59 6.428 0.486 -2.180 464 2HB ARG 59 HB1 ARG 59 7.274 1.294 -0.867 465 1HG ARG 59 HG2 ARG 59 7.860 3.107 -2.330 466 2HG ARG 59 HG1 ARG 59 7.070 2.254 -3.675 467 1HD ARG 59 HD2 ARG 59 5.770 4.037 -2.595 468 2HD ARG 59 HD1 ARG 59 4.948 2.481 -2.724 469 HE ARG 59 HE ARG 59 6.271 2.638 -0.211 470 1HH1 ARG 59 1HH1 ARG 59 3.392 4.041 -1.762 471 2HH1 ARG 59 2HH1 ARG 59 2.556 4.195 -0.284 472 1HH2 ARG 59 1HH2 ARG 59 5.055 2.722 1.713 473 2HH2 ARG 59 2HH2 ARG 59 3.511 3.442 1.742 474 H LYS 60 HN LYS 60 7.779 -1.771 -3.176 475 HA LYS 60 HA LYS 60 8.130 -1.011 -5.984 476 1HB LYS 60 HB2 LYS 60 9.986 -2.405 -5.402 477 2HB LYS 60 HB1 LYS 60 8.939 -3.582 -4.608 478 1HG LYS 60 HG2 LYS 60 9.493 -4.571 -6.647 479 2HG LYS 60 HG1 LYS 60 7.907 -3.844 -6.918 480 1HD LYS 60 HD2 LYS 60 9.315 -3.377 -8.831 481 2HD LYS 60 HD1 LYS 60 9.022 -1.885 -7.935 482 1HE LYS 60 HE2 LYS 60 11.172 -1.879 -6.995 483 2HE LYS 60 HE1 LYS 60 11.484 -3.537 -7.484 484 1HZ LYS 60 HZ3 LYS 60 11.054 -1.287 -9.374 485 2HZ LYS 60 HZ2 LYS 60 12.583 -1.904 -8.938 486 3HZ LYS 60 HZ1 LYS 60 11.489 -2.852 -9.758 487 H GLN 61 HN GLN 61 6.190 -1.181 -6.921 488 HA GLN 61 HA GLN 61 4.407 -3.187 -5.844 489 1HB GLN 61 HB2 GLN 61 2.501 -1.679 -6.169 490 2HB GLN 61 HB1 GLN 61 3.730 -1.065 -5.072 491 1HG GLN 61 HG2 GLN 61 4.585 0.296 -6.968 492 2HG GLN 61 HG1 GLN 61 3.098 -0.160 -7.825 493 1HE2 GLN 61 1HE2 GLN 61 4.478 1.653 -5.296 494 2HE2 GLN 61 2HE2 GLN 61 3.092 2.582 -4.843 495 H MET 62 HN MET 62 4.443 -4.727 -7.163 496 HA MET 62 HA MET 62 3.516 -4.375 -9.798 497 1HB MET 62 HB2 MET 62 5.494 -5.760 -10.777 498 2HB MET 62 HB1 MET 62 5.616 -4.027 -10.619 499 1HG MET 62 HG2 MET 62 7.721 -5.057 -10.054 500 2HG MET 62 HG1 MET 62 7.024 -4.329 -8.627 501 1HE MET 62 HE1 MET 62 7.006 -5.582 -6.323 502 2HE MET 62 HE3 MET 62 5.454 -6.198 -6.896 503 3HE MET 62 HE2 MET 62 6.645 -7.284 -6.180 504 H ASP 63 HN ASP 63 1.821 -5.483 -9.027 505 HA ASP 63 HA ASP 63 1.706 -8.208 -9.654 506 1HB ASP 63 HB2 ASP 63 2.816 -8.128 -7.222 507 2HB ASP 63 HB1 ASP 63 1.194 -7.697 -6.716 508 H ASP 64 HN ASP 64 -0.664 -8.847 -8.672 509 HA ASP 64 HA ASP 64 -2.135 -6.406 -9.163 510 1HB ASP 64 HB2 ASP 64 -4.159 -7.761 -9.709 511 2HB ASP 64 HB1 ASP 64 -2.807 -8.099 -10.769 512 H ILE 65 HN ILE 65 -3.804 -8.947 -7.446 513 HA ILE 65 HA ILE 65 -3.631 -7.160 -5.155 514 HB ILE 65 HB ILE 65 -5.712 -8.144 -4.305 515 1HG1 ILE 65 2HG1 ILE 65 -5.591 -9.751 -6.825 516 2HG1 ILE 65 1HG1 ILE 65 -5.548 -10.367 -5.199 517 1HG2 ILE 65 3HG2 ILE 65 -5.938 -7.105 -7.106 518 2HG2 ILE 65 2HG2 ILE 65 -7.285 -7.246 -5.976 519 3HG2 ILE 65 1HG2 ILE 65 -5.933 -6.173 -5.611 520 1HD1 ILE 65 1HD1 ILE 65 -7.998 -9.043 -6.423 521 2HD1 ILE 65 3HD1 ILE 65 -7.763 -10.774 -6.212 522 3HD1 ILE 65 2HD1 ILE 65 -7.874 -9.734 -4.804 523 H SER 66 HN SER 66 -3.521 -8.107 -3.180 524 HA SER 66 HA SER 66 -1.254 -9.779 -2.925 525 1HB SER 66 HB2 SER 66 -1.650 -9.608 -0.516 526 2HB SER 66 HB1 SER 66 -1.843 -8.041 -1.306 527 HG SER 66 HG SER 66 -3.877 -8.008 -0.729 528 HA PRO 67 HA PRO 67 -3.070 -13.849 -2.669 529 1HB PRO 67 HB2 PRO 67 -1.514 -14.908 -0.617 530 2HB PRO 67 HB1 PRO 67 -1.043 -14.886 -2.315 531 1HG PRO 67 HG2 PRO 67 -0.229 -13.067 -0.096 532 2HG PRO 67 HG1 PRO 67 0.720 -13.661 -1.472 533 1HD PRO 67 HD2 PRO 67 -0.291 -11.158 -1.363 534 2HD PRO 67 HD1 PRO 67 -0.100 -12.028 -2.892 535 H LEU 68 HN LEU 68 -2.586 -11.841 0.110 536 HA LEU 68 HA LEU 68 -4.124 -13.252 1.999 537 1HB LEU 68 HB2 LEU 68 -2.290 -11.395 2.228 538 2HB LEU 68 HB1 LEU 68 -3.634 -10.295 2.084 539 HG LEU 68 HG LEU 68 -2.931 -10.636 4.423 540 1HD1 LEU 68 1HD1 LEU 68 -5.272 -10.076 3.992 541 2HD1 LEU 68 3HD1 LEU 68 -5.641 -11.804 3.931 542 3HD1 LEU 68 2HD1 LEU 68 -5.064 -11.089 5.427 543 1HD2 LEU 68 3HD2 LEU 68 -2.135 -12.924 4.216 544 2HD2 LEU 68 2HD2 LEU 68 -3.295 -12.751 5.542 545 3HD2 LEU 68 1HD2 LEU 68 -3.797 -13.484 4.021 546 H SER 69 HN SER 69 -4.914 -10.684 -0.371 547 HA SER 69 HA SER 69 -7.403 -9.998 0.633 548 1HB SER 69 HB2 SER 69 -7.929 -9.189 -1.649 549 2HB SER 69 HB1 SER 69 -6.311 -8.707 -1.141 550 HG SER 69 HG SER 69 -5.430 -10.224 -2.487 551 H LYS 70 HN LYS 70 -6.494 -12.788 -1.223 552 HA LYS 70 HA LYS 70 -9.216 -13.565 -1.747 553 1HB LYS 70 HB2 LYS 70 -6.621 -15.019 -2.255 554 2HB LYS 70 HB1 LYS 70 -8.168 -15.808 -2.467 555 1HG LYS 70 HG2 LYS 70 -7.461 -15.071 -4.607 556 2HG LYS 70 HG1 LYS 70 -8.776 -14.021 -4.108 557 1HD LYS 70 HD2 LYS 70 -7.152 -12.590 -5.053 558 2HD LYS 70 HD1 LYS 70 -6.988 -12.406 -3.310 559 1HE LYS 70 HE2 LYS 70 -4.798 -12.568 -4.232 560 2HE LYS 70 HE1 LYS 70 -5.134 -14.075 -3.390 561 1HZ LYS 70 HZ1 LYS 70 -5.671 -15.088 -5.544 562 2HZ LYS 70 HZ3 LYS 70 -5.319 -13.620 -6.298 563 3HZ LYS 70 HZ2 LYS 70 -4.101 -14.457 -5.525 564 H VAL 71 HN VAL 71 -7.378 -13.701 1.015 565 HA VAL 71 HA VAL 71 -8.629 -16.192 1.849 566 HB VAL 71 HB VAL 71 -7.156 -16.358 3.646 567 1HG1 VAL 71 1HG1 VAL 71 -5.651 -14.927 1.556 568 2HG1 VAL 71 3HG1 VAL 71 -4.900 -15.863 2.847 569 3HG1 VAL 71 2HG1 VAL 71 -5.942 -16.669 1.658 570 1HG2 VAL 71 3HG2 VAL 71 -7.561 -14.162 4.668 571 2HG2 VAL 71 2HG2 VAL 71 -5.835 -14.566 4.655 572 3HG2 VAL 71 1HG2 VAL 71 -6.508 -13.445 3.461 573 H ASN 72 HN ASN 72 -8.665 -12.765 2.489 574 HA ASN 72 HA ASN 72 -11.310 -12.898 3.610 575 1HB ASN 72 HB2 ASN 72 -10.870 -12.502 5.953 576 2HB ASN 72 HB1 ASN 72 -9.829 -13.809 5.454 577 1HD2 ASN 72 1HD2 ASN 72 -9.558 -12.216 7.730 578 2HD2 ASN 72 2HD2 ASN 72 -8.031 -11.411 7.623 579 H GLY 73 HN GLY 73 -10.080 -11.365 1.540 580 1HA GLY 73 HA1 GLY 73 -9.877 -9.244 0.748 581 2HA GLY 73 HA2 GLY 73 -9.491 -8.721 2.382 582 H TYR 74 HN TYR 74 -10.766 -6.917 2.596 583 HA TYR 74 HA TYR 74 -13.558 -6.846 1.968 584 1HB TYR 74 HB2 TYR 74 -12.437 -6.864 4.778 585 2HB TYR 74 HB1 TYR 74 -13.915 -6.030 4.353 586 HD1 TYR 74 HD1 TYR 74 -12.373 -9.275 4.988 587 HD2 TYR 74 HD2 TYR 74 -15.897 -7.268 3.812 588 HE1 TYR 74 HE1 TYR 74 -13.682 -11.284 5.503 589 HE2 TYR 74 HE2 TYR 74 -17.217 -9.200 4.304 590 HH TYR 74 HH TYR 74 -16.873 -11.670 4.467 591 H ILE 75 HN ILE 75 -13.533 -5.071 1.005 592 HA ILE 75 HA ILE 75 -11.788 -2.901 1.684 593 HB ILE 75 HB ILE 75 -14.189 -3.260 0.000 594 1HG1 ILE 75 2HG1 ILE 75 -11.396 -2.682 -0.788 595 2HG1 ILE 75 1HG1 ILE 75 -12.069 -4.306 -0.632 596 1HG2 ILE 75 1HG2 ILE 75 -12.442 -0.754 0.231 597 2HG2 ILE 75 3HG2 ILE 75 -13.705 -0.961 -0.987 598 3HG2 ILE 75 2HG2 ILE 75 -14.132 -0.868 0.723 599 1HD1 ILE 75 2HD1 ILE 75 -12.985 -2.140 -2.564 600 2HD1 ILE 75 1HD1 ILE 75 -12.039 -3.560 -2.998 601 3HD1 ILE 75 3HD1 ILE 75 -13.700 -3.737 -2.444 602 H GLY 76 HN GLY 76 -12.168 -1.601 3.295 603 1HA GLY 76 HA1 GLY 76 -13.494 -1.774 5.424 604 2HA GLY 76 HA2 GLY 76 -14.890 -1.548 4.386 605 H VAL 77 HN VAL 77 -15.673 0.332 4.837 606 HA VAL 77 HA VAL 77 -13.716 2.457 4.876 607 HB VAL 77 HB VAL 77 -15.306 4.091 4.290 608 1HG1 VAL 77 1HG1 VAL 77 -15.363 1.769 2.428 609 2HG1 VAL 77 3HG1 VAL 77 -15.919 3.403 2.020 610 3HG1 VAL 77 2HG1 VAL 77 -14.243 3.123 2.507 611 1HG2 VAL 77 1HG2 VAL 77 -17.380 1.923 4.338 612 2HG2 VAL 77 3HG2 VAL 77 -17.242 3.361 5.366 613 3HG2 VAL 77 2HG2 VAL 77 -17.617 3.540 3.644 614 H SER 78 HN SER 78 -13.768 3.985 6.270 615 HA SER 78 HA SER 78 -15.021 3.245 8.790 616 1HB SER 78 HB2 SER 78 -13.089 5.495 8.173 617 2HB SER 78 HB1 SER 78 -13.523 4.880 9.770 618 HG SER 78 HG SER 78 -12.705 2.882 8.187 619 H ASP 79 HN ASP 79 -15.969 5.334 9.993 620 HA ASP 79 HA ASP 79 -18.343 5.926 8.854 621 1HB ASP 79 HB2 ASP 79 -16.778 7.324 10.987 622 2HB ASP 79 HB1 ASP 79 -18.428 7.742 10.574 623 H ASN 80 HN ASN 80 -15.404 7.676 8.300 624 HA ASN 80 HA ASN 80 -16.899 9.868 7.098 625 1HB ASN 80 HB2 ASN 80 -13.970 9.587 7.797 626 2HB ASN 80 HB1 ASN 80 -14.623 10.959 6.916 627 1HD2 ASN 80 1HD2 ASN 80 -14.362 9.397 9.978 628 2HD2 ASN 80 2HD2 ASN 80 -15.072 10.643 10.930 629 H GLY 81 HN GLY 81 -16.455 7.079 6.005 630 1HA GLY 81 HA1 GLY 81 -16.228 7.859 3.275 631 2HA GLY 81 HA2 GLY 81 -16.453 6.230 3.895 632 H VAL 82 HN VAL 82 -14.237 6.231 5.540 633 HA VAL 82 HA VAL 82 -11.892 6.807 3.942 634 HB VAL 82 HB VAL 82 -12.020 5.098 6.449 635 1HG1 VAL 82 3HG1 VAL 82 -9.663 6.411 5.090 636 2HG1 VAL 82 2HG1 VAL 82 -9.608 5.551 6.630 637 3HG1 VAL 82 1HG1 VAL 82 -10.004 4.682 5.147 638 1HG2 VAL 82 1HG2 VAL 82 -11.372 8.029 6.124 639 2HG2 VAL 82 3HG2 VAL 82 -12.821 7.355 6.872 640 3HG2 VAL 82 2HG2 VAL 82 -11.246 7.107 7.625 641 H ILE 83 HN ILE 83 -11.127 5.683 2.455 642 HA ILE 83 HA ILE 83 -12.415 3.271 1.556 643 HB ILE 83 HB ILE 83 -10.392 4.975 0.026 644 1HG1 ILE 83 2HG1 ILE 83 -12.328 6.285 0.623 645 2HG1 ILE 83 1HG1 ILE 83 -12.402 5.886 -1.092 646 1HG2 ILE 83 1HG2 ILE 83 -12.396 2.927 -0.983 647 2HG2 ILE 83 3HG2 ILE 83 -11.341 3.916 -1.995 648 3HG2 ILE 83 2HG2 ILE 83 -10.651 2.692 -0.927 649 1HD1 ILE 83 2HD1 ILE 83 -13.872 4.493 1.106 650 2HD1 ILE 83 1HD1 ILE 83 -14.574 5.655 -0.030 651 3HD1 ILE 83 3HD1 ILE 83 -13.971 4.098 -0.615 652 H SER 84 HN SER 84 -11.107 2.452 3.614 653 HA SER 84 HA SER 84 -8.408 1.677 2.719 654 1HB SER 84 HB2 SER 84 -8.668 2.812 4.944 655 2HB SER 84 HB1 SER 84 -9.647 1.451 5.481 656 HG SER 84 HG SER 84 -6.925 1.665 5.022 657 H THR 85 HN THR 85 -7.813 -0.585 3.230 658 HA THR 85 HA THR 85 -10.124 -2.321 3.070 659 HB THR 85 HB THR 85 -8.553 -4.016 2.081 660 HG1 THR 85 HG1 THR 85 -6.689 -2.887 1.051 661 1HG2 THR 85 2HG2 THR 85 -8.881 -1.425 0.569 662 2HG2 THR 85 1HG2 THR 85 -8.503 -2.992 -0.152 663 3HG2 THR 85 3HG2 THR 85 -10.047 -2.748 0.663 664 H PHE 86 HN PHE 86 -10.161 -4.131 4.365 665 HA PHE 86 HA PHE 86 -8.216 -4.002 6.460 666 1HB PHE 86 HB2 PHE 86 -11.207 -4.267 6.780 667 2HB PHE 86 HB1 PHE 86 -10.074 -4.610 8.077 668 HD1 PHE 86 HD1 PHE 86 -11.409 -1.949 5.895 669 HD2 PHE 86 HD2 PHE 86 -9.087 -2.860 9.323 670 HE1 PHE 86 HE1 PHE 86 -11.487 0.417 6.566 671 HE2 PHE 86 HE2 PHE 86 -9.153 -0.498 10.007 672 HZ PHE 86 HZ PHE 86 -10.355 1.146 8.626 673 H HIS 87 HN HIS 87 -7.918 -6.079 7.516 674 HA HIS 87 HA HIS 87 -8.612 -8.299 5.788 675 1HB HIS 87 HB2 HIS 87 -6.993 -9.636 7.217 676 2HB HIS 87 HB1 HIS 87 -6.261 -8.307 6.338 677 HD1 HIS 87 HD1 HIS 87 -6.645 -9.693 9.722 678 HD2 HIS 87 HD2 HIS 87 -5.595 -6.062 8.016 679 HE1 HIS 87 HE1 HIS 87 -5.476 -8.374 11.535 680 H GLY 88 HN GLY 88 -10.498 -9.053 6.113 681 1HA GLY 88 HA1 GLY 88 -11.313 -9.682 8.834 682 2HA GLY 88 HA2 GLY 88 -12.065 -10.296 7.355 683 H ARG 89 HN ARG 89 -13.803 -9.387 9.075 684 HA ARG 89 HA ARG 89 -15.166 -7.324 7.808 685 1HB ARG 89 HB2 ARG 89 -15.444 -8.369 10.627 686 2HB ARG 89 HB1 ARG 89 -16.524 -7.191 9.885 687 1HG ARG 89 HG2 ARG 89 -16.030 -9.913 8.732 688 2HG ARG 89 HG1 ARG 89 -17.336 -9.562 9.872 689 1HD ARG 89 HD2 ARG 89 -18.276 -7.944 8.339 690 2HD ARG 89 HD1 ARG 89 -16.971 -8.158 7.194 691 HE ARG 89 HE ARG 89 -18.242 -10.609 7.774 692 1HH1 ARG 89 1HH1 ARG 89 -18.675 -7.591 5.975 693 2HH1 ARG 89 2HH1 ARG 89 -19.665 -8.298 4.775 694 1HH2 ARG 89 1HH2 ARG 89 -19.655 -11.556 6.112 695 2HH2 ARG 89 2HH2 ARG 89 -20.273 -10.555 4.890 696 HA PRO 90 HA PRO 90 -12.849 -3.885 9.269 697 1HB PRO 90 HB2 PRO 90 -14.596 -1.957 8.291 698 2HB PRO 90 HB1 PRO 90 -13.248 -2.672 7.407 699 1HG PRO 90 HG2 PRO 90 -16.119 -3.144 7.139 700 2HG PRO 90 HG1 PRO 90 -14.830 -3.485 5.985 701 1HD PRO 90 HD2 PRO 90 -16.213 -5.310 7.581 702 2HD PRO 90 HD1 PRO 90 -14.746 -5.675 6.666 703 H GLU 91 HN GLU 91 -12.948 -3.789 11.308 704 HA GLU 91 HA GLU 91 -15.184 -2.418 12.586 705 1HB GLU 91 HB2 GLU 91 -14.855 -3.895 14.562 706 2HB GLU 91 HB1 GLU 91 -15.253 -4.837 13.140 707 1HG GLU 91 HG2 GLU 91 -12.850 -5.345 12.852 708 2HG GLU 91 HG1 GLU 91 -12.542 -4.458 14.348 709 HA PRO 92 HA PRO 92 -12.014 0.337 13.983 710 1HB PRO 92 HB2 PRO 92 -12.634 0.757 16.614 711 2HB PRO 92 HB1 PRO 92 -13.487 1.542 15.268 712 1HG PRO 92 HG2 PRO 92 -14.265 -0.794 16.947 713 2HG PRO 92 HG1 PRO 92 -15.286 0.474 16.247 714 1HD PRO 92 HD2 PRO 92 -15.040 -2.054 15.227 715 2HD PRO 92 HD1 PRO 92 -15.467 -0.636 14.226 716 H ALA 93 HN ALA 93 -12.421 -2.602 15.618 717 HA ALA 93 HA ALA 93 -10.015 -2.370 17.178 718 1HB ALA 93 HB3 ALA 93 -11.941 -3.586 18.013 719 2HB ALA 93 HB1 ALA 93 -10.515 -4.627 17.913 720 3HB ALA 93 HB2 ALA 93 -11.791 -4.745 16.691 721 H SER 94 HN SER 94 -10.722 -2.950 14.010 722 HA SER 94 HA SER 94 -8.473 -4.750 13.574 723 1HB SER 94 HB2 SER 94 -10.618 -5.100 12.284 724 2HB SER 94 HB1 SER 94 -10.398 -3.513 11.557 725 HG SER 94 HG SER 94 -9.187 -5.913 10.983 726 H GLU 95 HN GLU 95 -7.245 -3.770 11.367 727 HA GLU 95 HA GLU 95 -6.641 -1.043 12.140 728 1HB GLU 95 HB2 GLU 95 -4.262 -1.423 11.939 729 2HB GLU 95 HB1 GLU 95 -4.951 -2.517 13.121 730 1HG GLU 95 HG2 GLU 95 -4.877 -4.340 11.535 731 2HG GLU 95 HG1 GLU 95 -4.293 -3.229 10.291 732 HA PRO 96 HA PRO 96 -6.938 -0.499 7.756 733 1HB PRO 96 HB2 PRO 96 -5.621 2.041 7.811 734 2HB PRO 96 HB1 PRO 96 -7.354 1.700 7.744 735 1HG PRO 96 HG2 PRO 96 -6.022 2.846 9.900 736 2HG PRO 96 HG1 PRO 96 -7.636 2.114 9.931 737 1HD PRO 96 HD2 PRO 96 -5.025 0.982 10.825 738 2HD PRO 96 HD1 PRO 96 -6.671 0.725 11.455 739 H ILE 97 HN ILE 97 -5.740 -1.111 6.205 740 HA ILE 97 HA ILE 97 -2.952 -1.717 6.657 741 HB ILE 97 HB ILE 97 -4.726 -2.235 4.251 742 1HG1 ILE 97 2HG1 ILE 97 -3.959 -4.137 6.470 743 2HG1 ILE 97 1HG1 ILE 97 -5.454 -3.214 6.465 744 1HG2 ILE 97 1HG2 ILE 97 -2.025 -3.353 5.016 745 2HG2 ILE 97 3HG2 ILE 97 -3.095 -4.042 3.804 746 3HG2 ILE 97 2HG2 ILE 97 -2.441 -2.424 3.555 747 1HD1 ILE 97 1HD1 ILE 97 -4.629 -5.254 4.406 748 2HD1 ILE 97 3HD1 ILE 97 -5.832 -5.460 5.697 749 3HD1 ILE 97 2HD1 ILE 97 -6.116 -4.289 4.413 750 H GLN 98 HN GLN 98 -4.819 0.484 4.727 751 HA GLN 98 HA GLN 98 -2.565 2.214 4.237 752 1HB GLN 98 HB2 GLN 98 -2.462 2.054 1.878 753 2HB GLN 98 HB1 GLN 98 -2.711 0.377 2.318 754 1HG GLN 98 HG2 GLN 98 -4.839 2.290 1.330 755 2HG GLN 98 HG1 GLN 98 -4.074 1.011 0.400 756 1HE2 GLN 98 1HE2 GLN 98 -4.166 -0.933 2.434 757 2HE2 GLN 98 2HE2 GLN 98 -5.839 -1.400 2.600 758 H SER 99 HN SER 99 -3.761 4.075 2.614 759 HA SER 99 HA SER 99 -6.560 4.011 3.143 760 1HB SER 99 HB2 SER 99 -4.792 6.352 3.917 761 2HB SER 99 HB1 SER 99 -6.549 6.444 3.824 762 HG SER 99 HG SER 99 -5.484 4.357 5.301 763 H PHE 100 HN PHE 100 -7.413 4.143 1.109 764 HA PHE 100 HA PHE 100 -5.940 5.453 -0.951 765 1HB PHE 100 HB2 PHE 100 -8.692 4.194 -1.000 766 2HB PHE 100 HB1 PHE 100 -7.916 4.895 -2.414 767 HD1 PHE 100 HD1 PHE 100 -5.529 3.945 -2.943 768 HD2 PHE 100 HD2 PHE 100 -8.430 1.937 -0.585 769 HE1 PHE 100 HE1 PHE 100 -4.422 1.791 -3.413 770 HE2 PHE 100 HE2 PHE 100 -7.322 -0.208 -1.040 771 HZ PHE 100 HZ PHE 100 -5.323 -0.280 -2.464 772 H PHE 101 HN PHE 101 -9.223 6.109 0.360 773 HA PHE 101 HA PHE 101 -8.725 8.983 0.032 774 1HB PHE 101 HB2 PHE 101 -11.228 7.684 -1.068 775 2HB PHE 101 HB1 PHE 101 -10.845 9.391 -1.092 776 HD1 PHE 101 HD1 PHE 101 -8.691 9.995 -2.343 777 HD2 PHE 101 HD2 PHE 101 -10.897 6.461 -2.830 778 HE1 PHE 101 HE1 PHE 101 -7.647 9.701 -4.583 779 HE2 PHE 101 HE2 PHE 101 -9.870 6.087 -5.070 780 HZ PHE 101 HZ PHE 101 -8.235 7.733 -5.941 781 H GLN 102 HN GLN 102 -10.817 10.134 0.785 782 HA GLN 102 HA GLN 102 -12.249 8.691 2.823 783 1HB GLN 102 HB2 GLN 102 -10.476 10.321 3.687 784 2HB GLN 102 HB1 GLN 102 -11.360 11.596 2.873 785 1HG GLN 102 HG2 GLN 102 -13.340 10.764 4.097 786 2HG GLN 102 HG1 GLN 102 -12.200 9.851 5.068 787 1HE2 GLN 102 1HE2 GLN 102 -10.671 10.922 6.364 788 2HE2 GLN 102 2HE2 GLN 102 -10.905 12.574 6.799 789 H ILE 103 HN ILE 103 -14.387 8.793 2.123 790 HA ILE 103 HA ILE 103 -15.089 10.950 0.265 791 HB ILE 103 HB ILE 103 -16.232 9.452 -1.244 792 1HG1 ILE 103 2HG1 ILE 103 -15.650 7.213 0.716 793 2HG1 ILE 103 1HG1 ILE 103 -17.219 7.970 0.479 794 1HG2 ILE 103 3HG2 ILE 103 -13.833 9.518 -1.566 795 2HG2 ILE 103 2HG2 ILE 103 -13.591 8.143 -0.510 796 3HG2 ILE 103 1HG2 ILE 103 -14.439 7.939 -2.028 797 1HD1 ILE 103 2HD1 ILE 103 -17.239 7.229 -1.830 798 2HD1 ILE 103 1HD1 ILE 103 -15.685 6.441 -1.602 799 3HD1 ILE 103 3HD1 ILE 103 -17.100 5.860 -0.712 800 H ASP 104 HN ASP 104 -17.404 11.427 0.142 801 HA ASP 104 HA ASP 104 -18.645 11.241 2.725 802 1HB ASP 104 HB2 ASP 104 -19.166 12.766 0.234 803 2HB ASP 104 HB1 ASP 104 -20.564 12.383 1.231 804 H LEU 105 HN LEU 105 -19.726 9.559 3.284 805 HA LEU 105 HA LEU 105 -20.609 7.675 1.394 806 1HB LEU 105 HB2 LEU 105 -21.205 7.887 4.312 807 2HB LEU 105 HB1 LEU 105 -21.771 6.578 3.300 808 HG LEU 105 HG LEU 105 -18.979 7.199 4.184 809 1HD1 LEU 105 3HD1 LEU 105 -20.785 4.830 4.281 810 2HD1 LEU 105 2HD1 LEU 105 -19.097 4.803 4.799 811 3HD1 LEU 105 1HD1 LEU 105 -20.281 5.839 5.631 812 1HD2 LEU 105 1HD2 LEU 105 -19.765 5.345 1.910 813 2HD2 LEU 105 3HD2 LEU 105 -18.774 6.796 1.776 814 3HD2 LEU 105 2HD2 LEU 105 -18.180 5.403 2.670 815 H GLU 106 HN GLU 106 -22.050 10.297 2.927 816 HA GLU 106 HA GLU 106 -24.709 9.668 2.189 817 1HB GLU 106 HB2 GLU 106 -25.104 12.056 2.862 818 2HB GLU 106 HB1 GLU 106 -24.385 11.002 4.074 819 1HG GLU 106 HG2 GLU 106 -22.184 11.905 3.556 820 2HG GLU 106 HG1 GLU 106 -22.904 13.019 2.403 821 H ARG 107 HN ARG 107 -22.025 10.754 0.308 822 HA ARG 107 HA ARG 107 -23.758 11.998 -1.554 823 1HB ARG 107 HB2 ARG 107 -21.917 13.311 -1.660 824 2HB ARG 107 HB1 ARG 107 -20.949 12.129 -0.795 825 1HG ARG 107 HG2 ARG 107 -20.507 10.981 -2.645 826 2HG ARG 107 HG1 ARG 107 -21.617 11.907 -3.675 827 1HD ARG 107 HD2 ARG 107 -19.058 12.842 -2.332 828 2HD ARG 107 HD1 ARG 107 -19.277 12.559 -4.052 829 HE ARG 107 HE ARG 107 -20.619 14.706 -2.531 830 1HH1 ARG 107 1HH1 ARG 107 -19.244 13.602 -5.614 831 2HH1 ARG 107 2HH1 ARG 107 -19.116 15.160 -6.274 832 1HH2 ARG 107 1HH2 ARG 107 -20.497 16.855 -3.496 833 2HH2 ARG 107 2HH2 ARG 107 -19.856 17.039 -5.059 834 H LEU 108 HN LEU 108 -22.168 8.999 -0.840 835 HA LEU 108 HA LEU 108 -22.445 7.562 -3.266 836 1HB LEU 108 HB2 LEU 108 -22.623 6.771 -0.387 837 2HB LEU 108 HB1 LEU 108 -23.242 5.651 -1.569 838 HG LEU 108 HG LEU 108 -20.966 5.019 -0.929 839 1HD1 LEU 108 1HD1 LEU 108 -21.638 4.483 -3.045 840 2HD1 LEU 108 3HD1 LEU 108 -21.035 6.022 -3.674 841 3HD1 LEU 108 2HD1 LEU 108 -19.913 4.859 -2.943 842 1HD2 LEU 108 2HD2 LEU 108 -20.294 7.810 -1.716 843 2HD2 LEU 108 1HD2 LEU 108 -20.142 6.973 -0.160 844 3HD2 LEU 108 3HD2 LEU 108 -19.107 6.490 -1.500 845 H GLU 109 HN GLU 109 -24.140 5.902 -3.724 846 HA GLU 109 HA GLU 109 -26.530 7.302 -3.950 847 1HB GLU 109 HB2 GLU 109 -27.382 5.092 -5.016 848 2HB GLU 109 HB1 GLU 109 -26.217 6.115 -5.828 849 1HG GLU 109 HG2 GLU 109 -25.356 4.122 -6.175 850 2HG GLU 109 HG1 GLU 109 -24.471 4.546 -4.737 851 H SER 110 HN SER 110 -26.298 4.046 -2.434 852 HA SER 110 HA SER 110 -27.671 5.075 -0.161 853 1HB SER 110 HB2 SER 110 -29.585 3.453 -0.350 854 2HB SER 110 HB1 SER 110 -29.612 4.737 -1.560 855 HG SER 110 HG SER 110 -29.154 3.322 -3.110 856 H HIS 111 HN HIS 111 -27.640 1.796 -1.436 857 HA HIS 111 HA HIS 111 -26.546 0.969 1.083 858 1HB HIS 111 HB2 HIS 111 -26.984 -1.367 0.461 859 2HB HIS 111 HB1 HIS 111 -28.392 -0.338 0.315 860 HD1 HIS 111 HD1 HIS 111 -26.685 -2.968 -1.406 861 HD2 HIS 111 HD2 HIS 111 -28.796 0.420 -2.560 862 HE1 HIS 111 HE1 HIS 111 -27.453 -3.396 -3.750 863 H MET 112 HN MET 112 -25.087 1.689 -1.852 864 HA MET 112 HA MET 112 -22.914 -0.053 -1.973 865 1HB MET 112 HB2 MET 112 -23.285 2.813 -2.683 866 2HB MET 112 HB1 MET 112 -21.657 2.170 -2.685 867 1HG MET 112 HG2 MET 112 -23.889 0.871 -4.208 868 2HG MET 112 HG1 MET 112 -22.941 2.192 -4.887 869 1HE MET 112 HE3 MET 112 -20.440 2.169 -5.176 870 2HE MET 112 HE2 MET 112 -20.028 1.514 -3.604 871 3HE MET 112 HE1 MET 112 -19.362 0.764 -5.052 872 H GLN 113 HN GLN 113 -23.147 2.947 -0.147 873 HA GLN 113 HA GLN 113 -20.613 2.809 1.005 874 1HB GLN 113 HB2 GLN 113 -21.601 4.380 2.731 875 2HB GLN 113 HB1 GLN 113 -21.636 4.933 1.056 876 1HG GLN 113 HG2 GLN 113 -23.804 4.983 1.017 877 2HG GLN 113 HG1 GLN 113 -23.874 3.403 1.871 878 1HE2 GLN 113 1HE2 GLN 113 -23.953 6.838 2.240 879 2HE2 GLN 113 2HE2 GLN 113 -24.426 6.842 3.901 880 H LYS 114 HN LYS 114 -23.662 1.423 2.065 881 HA LYS 114 HA LYS 114 -22.685 0.735 4.642 882 1HB LYS 114 HB2 LYS 114 -25.087 -0.312 3.161 883 2HB LYS 114 HB1 LYS 114 -24.702 -0.693 4.833 884 1HG LYS 114 HG2 LYS 114 -24.742 1.784 5.273 885 2HG LYS 114 HG1 LYS 114 -25.431 1.968 3.668 886 1HD LYS 114 HD2 LYS 114 -26.596 0.285 5.870 887 2HD LYS 114 HD1 LYS 114 -27.142 1.903 5.438 888 1HE LYS 114 HE2 LYS 114 -27.678 1.043 3.159 889 2HE LYS 114 HE1 LYS 114 -27.224 -0.570 3.701 890 1HZ LYS 114 HZ1 LYS 114 -29.407 1.074 4.843 891 2HZ LYS 114 HZ3 LYS 114 -29.626 -0.210 3.784 892 3HZ LYS 114 HZ2 LYS 114 -29.021 -0.483 5.341 893 H ASN 115 HN ASN 115 -22.566 -0.820 1.542 894 HA ASN 115 HA ASN 115 -21.940 -3.414 2.559 895 1HB ASN 115 HB2 ASN 115 -22.744 -2.835 0.147 896 2HB ASN 115 HB1 ASN 115 -21.105 -2.295 -0.119 897 1HD2 ASN 115 1HD2 ASN 115 -21.038 -3.812 -1.746 898 2HD2 ASN 115 2HD2 ASN 115 -20.726 -5.487 -1.432 899 H LEU 116 HN LEU 116 -20.248 -0.519 1.722 900 HA LEU 116 HA LEU 116 -17.587 -1.477 1.949 901 1HB LEU 116 HB2 LEU 116 -18.638 1.302 2.446 902 2HB LEU 116 HB1 LEU 116 -16.982 0.834 2.123 903 HG LEU 116 HG LEU 116 -19.230 0.567 0.119 904 1HD1 LEU 116 3HD1 LEU 116 -18.721 2.923 0.765 905 2HD1 LEU 116 2HD1 LEU 116 -17.061 2.634 0.263 906 3HD1 LEU 116 1HD1 LEU 116 -18.357 2.534 -0.920 907 1HD2 LEU 116 2HD2 LEU 116 -17.330 -0.973 -0.193 908 2HD2 LEU 116 1HD2 LEU 116 -17.425 0.242 -1.474 909 3HD2 LEU 116 3HD2 LEU 116 -16.233 0.404 -0.185 910 H LEU 117 HN LEU 117 -19.916 -0.068 4.232 911 HA LEU 117 HA LEU 117 -18.301 0.207 6.489 912 1HB LEU 117 HB2 LEU 117 -21.206 -0.595 6.401 913 2HB LEU 117 HB1 LEU 117 -20.359 0.019 7.801 914 HG LEU 117 HG LEU 117 -20.975 1.545 5.280 915 1HD1 LEU 117 1HD1 LEU 117 -22.922 1.129 6.694 916 2HD1 LEU 117 3HD1 LEU 117 -22.057 1.801 8.076 917 3HD1 LEU 117 2HD1 LEU 117 -22.465 2.833 6.705 918 1HD2 LEU 117 1HD2 LEU 117 -19.604 2.413 7.809 919 2HD2 LEU 117 3HD2 LEU 117 -18.900 2.225 6.193 920 3HD2 LEU 117 2HD2 LEU 117 -20.132 3.461 6.478 921 H LYS 118 HN LYS 118 -20.168 -2.573 5.355 922 HA LYS 118 HA LYS 118 -19.431 -4.114 7.684 923 1HB LYS 118 HB2 LYS 118 -21.080 -5.630 7.022 924 2HB LYS 118 HB1 LYS 118 -21.706 -4.087 6.477 925 1HG LYS 118 HG2 LYS 118 -20.377 -4.906 4.247 926 2HG LYS 118 HG1 LYS 118 -20.832 -6.425 4.984 927 1HD LYS 118 HD2 LYS 118 -22.792 -4.237 4.378 928 2HD LYS 118 HD1 LYS 118 -22.550 -5.682 3.403 929 1HE LYS 118 HE2 LYS 118 -23.344 -5.624 6.282 930 2HE LYS 118 HE1 LYS 118 -24.486 -5.822 4.939 931 1HZ LYS 118 HZ2 LYS 118 -23.322 -7.934 4.422 932 2HZ LYS 118 HZ1 LYS 118 -22.312 -7.714 5.754 933 3HZ LYS 118 HZ3 LYS 118 -23.955 -7.924 5.968 934 H GLY 119 HN GLY 119 -18.378 -3.688 4.396 935 1HA GLY 119 HA1 GLY 119 -16.394 -5.729 4.904 936 2HA GLY 119 HA2 GLY 119 -16.111 -4.229 4.017 937 H ILE 120 HN ILE 120 -15.816 -4.721 2.039 938 HA ILE 120 HA ILE 120 -17.836 -5.918 0.457 939 HB ILE 120 HB ILE 120 -14.956 -5.303 -0.241 940 1HG1 ILE 120 2HG1 ILE 120 -16.102 -3.294 0.309 941 2HG1 ILE 120 1HG1 ILE 120 -16.074 -3.362 -1.459 942 1HG2 ILE 120 2HG2 ILE 120 -15.829 -7.009 -1.762 943 2HG2 ILE 120 1HG2 ILE 120 -17.230 -5.991 -2.104 944 3HG2 ILE 120 3HG2 ILE 120 -15.617 -5.466 -2.598 945 1HD1 ILE 120 3HD1 ILE 120 -18.377 -4.358 -1.275 946 2HD1 ILE 120 2HD1 ILE 120 -18.273 -3.946 0.434 947 3HD1 ILE 120 1HD1 ILE 120 -18.262 -2.656 -0.755 948 HA PRO 121 HA PRO 121 -16.887 -10.187 1.277 949 1HB PRO 121 HB2 PRO 121 -18.558 -11.240 -0.538 950 2HB PRO 121 HB1 PRO 121 -19.148 -10.538 0.980 951 1HG PRO 121 HG2 PRO 121 -19.014 -9.338 -1.760 952 2HG PRO 121 HG1 PRO 121 -20.361 -9.281 -0.600 953 1HD PRO 121 HD2 PRO 121 -18.680 -7.232 -0.953 954 2HD PRO 121 HD1 PRO 121 -19.344 -7.616 0.646 955 H PHE 122 HN PHE 122 -15.163 -8.825 -0.434 956 HA PHE 122 HA PHE 122 -13.318 -9.240 -1.645 957 1HB PHE 122 HB2 PHE 122 -13.107 -11.436 -0.745 958 2HB PHE 122 HB1 PHE 122 -14.329 -12.070 -1.849 959 HD1 PHE 122 HD1 PHE 122 -10.934 -10.601 -1.712 960 HD2 PHE 122 HD2 PHE 122 -13.713 -12.867 -3.994 961 HE1 PHE 122 HE1 PHE 122 -9.181 -11.093 -3.358 962 HE2 PHE 122 HE2 PHE 122 -11.957 -13.366 -5.644 963 HZ PHE 122 HZ PHE 122 -9.693 -12.473 -5.326 964 H ARG 123 HN ARG 123 -12.600 -8.866 -3.565 965 HA ARG 123 HA ARG 123 -14.178 -9.406 -5.903 966 1HB ARG 123 HB2 ARG 123 -13.380 -6.697 -4.890 967 2HB ARG 123 HB1 ARG 123 -13.554 -6.951 -6.606 968 1HG ARG 123 HG2 ARG 123 -15.911 -7.677 -6.168 969 2HG ARG 123 HG1 ARG 123 -15.674 -7.204 -4.483 970 1HD ARG 123 HD2 ARG 123 -15.185 -4.943 -5.144 971 2HD ARG 123 HD1 ARG 123 -15.261 -5.393 -6.843 972 HE ARG 123 HE ARG 123 -17.651 -5.824 -5.267 973 1HH1 ARG 123 1HH1 ARG 123 -15.936 -3.858 -7.695 974 2HH1 ARG 123 2HH1 ARG 123 -17.297 -2.899 -8.071 975 1HH2 ARG 123 1HH2 ARG 123 -19.561 -4.464 -5.851 976 2HH2 ARG 123 2HH2 ARG 123 -19.342 -3.245 -7.022 977 H THR 124 HN THR 124 -12.853 -9.434 -7.767 978 HA THR 124 HA THR 124 -10.135 -10.208 -7.279 979 HB THR 124 HB THR 124 -11.655 -9.932 -9.910 980 HG1 THR 124 HG1 THR 124 -12.872 -11.202 -8.651 981 1HG2 THR 124 2HG2 THR 124 -9.308 -11.667 -9.092 982 2HG2 THR 124 1HG2 THR 124 -10.195 -11.797 -10.632 983 3HG2 THR 124 3HG2 THR 124 -9.324 -10.322 -10.240 984 H LYS 125 HN LYS 125 -8.558 -9.146 -9.305 985 HA LYS 125 HA LYS 125 -8.035 -6.682 -8.194 986 1HB LYS 125 HB2 LYS 125 -6.228 -6.499 -9.827 987 2HB LYS 125 HB1 LYS 125 -6.289 -8.071 -9.071 988 1HG LYS 125 HG2 LYS 125 -5.768 -8.537 -11.296 989 2HG LYS 125 HG1 LYS 125 -7.495 -8.864 -11.195 990 1HD LYS 125 HD2 LYS 125 -7.040 -7.663 -13.249 991 2HD LYS 125 HD1 LYS 125 -7.919 -6.601 -12.149 992 1HE LYS 125 HE2 LYS 125 -5.748 -5.589 -11.482 993 2HE LYS 125 HE1 LYS 125 -4.968 -6.610 -12.689 994 1HZ LYS 125 HZ1 LYS 125 -6.462 -5.453 -14.361 995 2HZ LYS 125 HZ3 LYS 125 -6.875 -4.372 -13.110 996 3HZ LYS 125 HZ2 LYS 125 -5.291 -4.498 -13.621 997 H ALA 126 HN ALA 126 -9.799 -7.417 -11.160 998 HA ALA 126 HA ALA 126 -9.725 -4.659 -11.957 999 1HB ALA 126 HB2 ALA 126 -11.215 -7.010 -13.053 1000 2HB ALA 126 HB1 ALA 126 -11.052 -5.436 -13.853 1001 3HB ALA 126 HB3 ALA 126 -9.635 -6.467 -13.586 1002 H GLU 127 HN GLU 127 -11.710 -6.869 -10.298 1003 HA GLU 127 HA GLU 127 -14.144 -5.379 -10.463 1004 1HB GLU 127 HB2 GLU 127 -13.355 -7.389 -8.390 1005 2HB GLU 127 HB1 GLU 127 -14.999 -6.973 -8.895 1006 1HG GLU 127 HG2 GLU 127 -14.230 -7.939 -11.180 1007 2HG GLU 127 HG1 GLU 127 -12.874 -8.507 -10.278 1008 H PHE 128 HN PHE 128 -11.418 -5.602 -8.351 1009 HA PHE 128 HA PHE 128 -12.301 -4.015 -6.199 1010 1HB PHE 128 HB2 PHE 128 -10.434 -5.528 -5.966 1011 2HB PHE 128 HB1 PHE 128 -9.567 -4.741 -7.267 1012 HD1 PHE 128 HD1 PHE 128 -10.363 -4.667 -3.760 1013 HD2 PHE 128 HD2 PHE 128 -8.686 -2.473 -6.973 1014 HE1 PHE 128 HE1 PHE 128 -9.323 -3.129 -2.141 1015 HE2 PHE 128 HE2 PHE 128 -7.621 -0.920 -5.367 1016 HZ PHE 128 HZ PHE 128 -7.947 -1.251 -2.950 1017 H GLU 129 HN GLU 129 -10.250 -3.263 -9.028 1018 HA GLU 129 HA GLU 129 -10.177 -0.562 -8.310 1019 1HB GLU 129 HB2 GLU 129 -9.271 -0.183 -10.635 1020 2HB GLU 129 HB1 GLU 129 -8.367 -1.293 -9.619 1021 1HG GLU 129 HG2 GLU 129 -9.345 -3.149 -10.729 1022 2HG GLU 129 HG1 GLU 129 -10.329 -2.081 -11.722 1023 H ASP 130 HN ASP 130 -12.516 -2.387 -9.875 1024 HA ASP 130 HA ASP 130 -13.995 -0.379 -11.242 1025 1HB ASP 130 HB2 ASP 130 -14.388 -2.822 -11.498 1026 2HB ASP 130 HB1 ASP 130 -14.971 -2.887 -9.852 1027 H VAL 131 HN VAL 131 -14.228 -1.737 -8.003 1028 HA VAL 131 HA VAL 131 -16.245 0.120 -7.213 1029 HB VAL 131 HB VAL 131 -16.191 -2.064 -6.029 1030 1HG1 VAL 131 1HG1 VAL 131 -13.861 -2.495 -6.165 1031 2HG1 VAL 131 3HG1 VAL 131 -13.549 -1.277 -4.935 1032 3HG1 VAL 131 2HG1 VAL 131 -14.490 -2.717 -4.526 1033 1HG2 VAL 131 1HG2 VAL 131 -15.500 0.181 -4.172 1034 2HG2 VAL 131 3HG2 VAL 131 -17.121 -0.222 -4.764 1035 3HG2 VAL 131 2HG2 VAL 131 -16.241 -1.351 -3.717 1036 H ILE 132 HN ILE 132 -12.761 0.019 -6.900 1037 HA ILE 132 HA ILE 132 -12.580 2.299 -5.273 1038 HB ILE 132 HB ILE 132 -10.680 0.554 -6.654 1039 1HG1 ILE 132 2HG1 ILE 132 -9.415 0.814 -4.565 1040 2HG1 ILE 132 1HG1 ILE 132 -10.505 2.098 -4.062 1041 1HG2 ILE 132 1HG2 ILE 132 -10.006 2.598 -7.753 1042 2HG2 ILE 132 3HG2 ILE 132 -9.814 3.401 -6.195 1043 3HG2 ILE 132 2HG2 ILE 132 -8.757 2.051 -6.628 1044 1HD1 ILE 132 1HD1 ILE 132 -12.348 0.493 -4.012 1045 2HD1 ILE 132 3HD1 ILE 132 -11.243 -0.784 -4.516 1046 3HD1 ILE 132 2HD1 ILE 132 -11.025 0.000 -2.950 1047 H GLU 133 HN GLU 133 -12.670 1.991 -8.786 1048 HA GLU 133 HA GLU 133 -12.086 4.697 -9.204 1049 1HB GLU 133 HB2 GLU 133 -12.888 4.420 -11.477 1050 2HB GLU 133 HB1 GLU 133 -11.895 3.056 -10.982 1051 1HG GLU 133 HG2 GLU 133 -13.855 1.719 -10.642 1052 2HG GLU 133 HG1 GLU 133 -14.867 3.099 -11.074 1053 H HIS 134 HN HIS 134 -14.957 2.985 -8.429 1054 HA HIS 134 HA HIS 134 -16.769 5.126 -8.875 1055 1HB HIS 134 HB2 HIS 134 -17.368 2.683 -8.745 1056 2HB HIS 134 HB1 HIS 134 -17.048 2.760 -7.015 1057 HD1 HIS 134 HD1 HIS 134 -19.652 3.658 -9.565 1058 HD2 HIS 134 HD2 HIS 134 -18.975 4.024 -5.489 1059 HE1 HIS 134 HE1 HIS 134 -21.871 4.251 -8.546 1060 H MET 135 HN MET 135 -14.944 3.928 -6.097 1061 HA MET 135 HA MET 135 -15.824 5.751 -4.136 1062 1HB MET 135 HB2 MET 135 -13.035 4.621 -4.417 1063 2HB MET 135 HB1 MET 135 -13.725 5.320 -2.972 1064 1HG MET 135 HG2 MET 135 -14.625 2.757 -4.284 1065 2HG MET 135 HG1 MET 135 -13.567 2.864 -2.891 1066 1HE MET 135 HE2 MET 135 -17.165 2.609 -4.186 1067 2HE MET 135 HE1 MET 135 -18.144 3.356 -2.928 1068 3HE MET 135 HE3 MET 135 -17.172 4.359 -4.001 1069 H LYS 136 HN LYS 136 -13.171 6.045 -6.485 1070 HA LYS 136 HA LYS 136 -12.433 8.623 -5.516 1071 1HB LYS 136 HB2 LYS 136 -10.896 8.818 -7.359 1072 2HB LYS 136 HB1 LYS 136 -10.769 7.230 -6.629 1073 1HG LYS 136 HG2 LYS 136 -12.194 6.371 -8.447 1074 2HG LYS 136 HG1 LYS 136 -12.115 7.950 -9.203 1075 1HD LYS 136 HD2 LYS 136 -10.451 6.455 -10.197 1076 2HD LYS 136 HD1 LYS 136 -9.676 7.801 -9.364 1077 1HE LYS 136 HE2 LYS 136 -9.121 6.415 -7.489 1078 2HE LYS 136 HE1 LYS 136 -10.079 5.078 -8.112 1079 1HZ LYS 136 HZ2 LYS 136 -8.485 4.926 -9.966 1080 2HZ LYS 136 HZ1 LYS 136 -7.571 6.180 -9.315 1081 3HZ LYS 136 HZ3 LYS 136 -7.729 4.712 -8.506 1082 H THR 137 HN THR 137 -14.896 7.587 -7.631 1083 HA THR 137 HA THR 137 -15.126 10.001 -9.055 1084 HB THR 137 HB THR 137 -16.327 7.545 -9.316 1085 HG1 THR 137 HG1 THR 137 -16.194 9.160 -10.902 1086 1HG2 THR 137 3HG2 THR 137 -18.483 9.358 -8.197 1087 2HG2 THR 137 2HG2 THR 137 -18.768 7.812 -9.006 1088 3HG2 THR 137 1HG2 THR 137 -17.897 7.857 -7.475 1089 H TYR 138 HN TYR 138 -15.818 9.059 -5.825 1090 HA TYR 138 HA TYR 138 -17.405 11.430 -5.352 1091 1HB TYR 138 HB2 TYR 138 -16.683 9.135 -3.492 1092 2HB TYR 138 HB1 TYR 138 -17.772 10.467 -3.090 1093 HD1 TYR 138 HD1 TYR 138 -17.730 7.117 -4.208 1094 HD2 TYR 138 HD2 TYR 138 -19.627 10.841 -4.894 1095 HE1 TYR 138 HE1 TYR 138 -19.538 5.984 -5.342 1096 HE2 TYR 138 HE2 TYR 138 -21.497 9.688 -6.015 1097 HH TYR 138 HH TYR 138 -21.729 6.216 -6.039 1098 H SER 139 HN SER 139 -14.611 9.803 -3.759 1099 HA SER 139 HA SER 139 -12.829 10.600 -2.578 1100 1HB SER 139 HB2 SER 139 -13.050 12.482 -4.845 1101 2HB SER 139 HB1 SER 139 -11.603 12.379 -3.797 1102 HG SER 139 HG SER 139 -12.589 10.725 -5.782 1103 H GLY 140 HN GLY 140 -15.532 11.720 -1.838 1104 1HA GLY 140 HA1 GLY 140 -14.971 14.381 -0.977 1105 2HA GLY 140 HA2 GLY 140 -15.220 13.137 0.266 No H/Q in entry = 1105 Start of MODEL 18 1 H1 ALA 1 HT2 ALA 1 34.517 5.764 -7.377 2 H2 ALA 1 HT1 ALA 1 33.194 4.915 -6.802 3 H3 ALA 1 HT3 ALA 1 32.963 6.416 -7.540 4 HA ALA 1 HA ALA 1 34.198 7.501 -5.808 5 1HB ALA 1 HB2 ALA 1 32.543 7.279 -4.014 6 2HB ALA 1 HB3 ALA 1 31.940 5.794 -4.754 7 3HB ALA 1 HB1 ALA 1 31.758 7.336 -5.589 8 H GLU 2 HN GLU 2 33.293 4.317 -4.436 9 HA GLU 2 HA GLU 2 36.018 3.903 -3.661 10 1HB GLU 2 HB2 GLU 2 35.268 3.320 -1.301 11 2HB GLU 2 HB1 GLU 2 35.295 5.030 -1.693 12 1HG GLU 2 HG2 GLU 2 32.857 4.955 -2.045 13 2HG GLU 2 HG1 GLU 2 32.870 3.253 -1.584 14 H VAL 3 HN VAL 3 36.457 1.747 -3.095 15 HA VAL 3 HA VAL 3 34.823 -0.090 -4.651 16 HB VAL 3 HB VAL 3 37.408 -0.731 -3.225 17 1HG1 VAL 3 3HG1 VAL 3 36.238 -1.791 -5.776 18 2HG1 VAL 3 2HG1 VAL 3 37.822 -2.224 -5.136 19 3HG1 VAL 3 1HG1 VAL 3 36.368 -2.637 -4.232 20 1HG2 VAL 3 1HG2 VAL 3 37.231 0.652 -5.891 21 2HG2 VAL 3 3HG2 VAL 3 37.898 1.326 -4.405 22 3HG2 VAL 3 2HG2 VAL 3 38.704 -0.027 -5.200 23 H GLU 4 HN GLU 4 34.877 -2.363 -3.509 24 HA GLU 4 HA GLU 4 33.428 -2.129 -1.080 25 1HB GLU 4 HB2 GLU 4 33.449 -4.582 -1.070 26 2HB GLU 4 HB1 GLU 4 32.936 -3.925 -2.620 27 1HG GLU 4 HG2 GLU 4 35.054 -4.460 -3.592 28 2HG GLU 4 HG1 GLU 4 35.706 -4.912 -2.020 29 H HIS 5 HN HIS 5 34.004 -2.749 0.946 30 HA HIS 5 HA HIS 5 36.893 -2.838 1.359 31 1HB HIS 5 HB2 HIS 5 34.760 -1.739 3.198 32 2HB HIS 5 HB1 HIS 5 36.460 -1.890 3.604 33 HD1 HIS 5 HD1 HIS 5 34.218 0.653 2.506 34 HD2 HIS 5 HD2 HIS 5 38.071 -0.500 1.447 35 HE1 HIS 5 HE1 HIS 5 35.265 2.644 1.407 36 H TYR 6 HN TYR 6 37.162 -3.646 3.801 37 HA TYR 6 HA TYR 6 36.761 -6.448 3.605 38 1HB TYR 6 HB2 TYR 6 37.778 -4.839 5.954 39 2HB TYR 6 HB1 TYR 6 38.092 -6.539 5.611 40 HD1 TYR 6 HD1 TYR 6 39.729 -7.183 3.923 41 HD2 TYR 6 HD2 TYR 6 38.887 -3.093 4.686 42 HE1 TYR 6 HE1 TYR 6 41.719 -6.526 2.622 43 HE2 TYR 6 HE2 TYR 6 40.853 -2.430 3.405 44 HH TYR 6 HH TYR 6 42.973 -3.369 2.695 45 H GLU 7 HN GLU 7 35.504 -3.845 5.636 46 HA GLU 7 HA GLU 7 33.640 -5.719 6.817 47 1HB GLU 7 HB2 GLU 7 34.242 -2.853 7.529 48 2HB GLU 7 HB1 GLU 7 33.048 -3.859 8.336 49 1HG GLU 7 HG2 GLU 7 34.892 -5.437 8.896 50 2HG GLU 7 HG1 GLU 7 36.018 -4.230 8.275 51 HA PRO 8 HA PRO 8 30.570 -4.153 4.109 52 1HB PRO 8 HB2 PRO 8 28.463 -5.396 5.060 53 2HB PRO 8 HB1 PRO 8 29.759 -6.302 4.268 54 1HG PRO 8 HG2 PRO 8 29.197 -5.973 7.192 55 2HG PRO 8 HG1 PRO 8 29.699 -7.429 6.315 56 1HD PRO 8 HD2 PRO 8 31.410 -5.820 7.737 57 2HD PRO 8 HD1 PRO 8 31.894 -6.854 6.374 58 H LEU 9 HN LEU 9 28.057 -3.621 4.595 59 HA LEU 9 HA LEU 9 27.978 -1.574 6.711 60 1HB LEU 9 HB2 LEU 9 28.330 -0.943 4.035 61 2HB LEU 9 HB1 LEU 9 26.625 -1.138 4.111 62 HG LEU 9 HG LEU 9 27.270 1.226 4.303 63 1HD1 LEU 9 1HD1 LEU 9 25.891 0.122 6.729 64 2HD1 LEU 9 3HD1 LEU 9 25.875 1.809 6.224 65 3HD1 LEU 9 2HD1 LEU 9 25.138 0.584 5.197 66 1HD2 LEU 9 3HD2 LEU 9 29.355 0.951 5.524 67 2HD2 LEU 9 2HD2 LEU 9 28.268 2.059 6.368 68 3HD2 LEU 9 1HD2 LEU 9 28.458 0.400 6.938 69 H GLN 10 HN GLN 10 26.292 -2.214 7.970 70 HA GLN 10 HA GLN 10 24.242 -3.917 6.933 71 1HB GLN 10 HB2 GLN 10 24.697 -2.689 9.637 72 2HB GLN 10 HB1 GLN 10 23.261 -3.623 9.253 73 1HG GLN 10 HG2 GLN 10 24.615 -5.532 8.729 74 2HG GLN 10 HG1 GLN 10 26.089 -4.614 9.041 75 1HE2 GLN 10 1HE2 GLN 10 26.675 -6.142 10.505 76 2HE2 GLN 10 2HE2 GLN 10 25.991 -6.277 12.079 77 H VAL 11 HN VAL 11 22.857 -3.115 5.645 78 HA VAL 11 HA VAL 11 21.751 -0.427 6.064 79 HB VAL 11 HB VAL 11 21.412 -2.159 3.662 80 1HG1 VAL 11 1HG1 VAL 11 19.942 -0.324 3.778 81 2HG1 VAL 11 3HG1 VAL 11 21.281 0.808 3.992 82 3HG1 VAL 11 2HG1 VAL 11 21.098 -0.076 2.472 83 1HG2 VAL 11 3HG2 VAL 11 23.785 -2.043 3.965 84 2HG2 VAL 11 2HG2 VAL 11 23.311 -1.084 2.577 85 3HG2 VAL 11 1HG2 VAL 11 23.728 -0.280 4.102 86 H HIS 12 HN HIS 12 19.728 -0.413 6.779 87 HA HIS 12 HA HIS 12 18.040 -2.727 6.271 88 1HB HIS 12 HB2 HIS 12 17.800 -0.420 8.169 89 2HB HIS 12 HB1 HIS 12 16.384 -1.389 7.717 90 HD1 HIS 12 HD1 HIS 12 19.747 -1.747 9.451 91 HD2 HIS 12 HD2 HIS 12 16.124 -3.736 9.059 92 HE1 HIS 12 HE1 HIS 12 19.795 -3.616 11.132 93 H VAL 13 HN VAL 13 17.300 -2.629 4.372 94 HA VAL 13 HA VAL 13 16.406 -0.065 3.320 95 HB VAL 13 HB VAL 13 18.081 -1.163 1.945 96 1HG1 VAL 13 3HG1 VAL 13 17.688 -3.491 2.497 97 2HG1 VAL 13 2HG1 VAL 13 16.207 -3.446 1.530 98 3HG1 VAL 13 1HG1 VAL 13 17.767 -3.207 0.756 99 1HG2 VAL 13 2HG2 VAL 13 15.376 -1.159 0.675 100 2HG2 VAL 13 1HG2 VAL 13 16.479 0.216 0.809 101 3HG2 VAL 13 3HG2 VAL 13 16.906 -1.168 -0.209 102 H GLN 14 HN GLN 14 14.548 0.416 3.412 103 HA GLN 14 HA GLN 14 12.466 -1.548 3.884 104 1HB GLN 14 HB2 GLN 14 12.515 0.377 5.330 105 2HB GLN 14 HB1 GLN 14 12.484 1.477 3.956 106 1HG GLN 14 HG2 GLN 14 10.231 0.662 3.411 107 2HG GLN 14 HG1 GLN 14 10.297 -0.398 4.818 108 1HE2 GLN 14 1HE2 GLN 14 8.481 1.785 4.169 109 2HE2 GLN 14 2HE2 GLN 14 8.552 2.872 5.506 110 H LEU 15 HN LEU 15 11.419 -2.323 2.228 111 HA LEU 15 HA LEU 15 11.508 -0.822 -0.261 112 1HB LEU 15 HB2 LEU 15 10.786 -3.633 0.390 113 2HB LEU 15 HB1 LEU 15 10.570 -2.965 -1.221 114 HG LEU 15 HG LEU 15 12.459 -3.968 -1.548 115 1HD1 LEU 15 3HD1 LEU 15 13.567 -1.531 -0.227 116 2HD1 LEU 15 2HD1 LEU 15 14.534 -2.638 -1.190 117 3HD1 LEU 15 1HD1 LEU 15 13.178 -1.770 -1.932 118 1HD2 LEU 15 1HD2 LEU 15 12.579 -5.175 0.477 119 2HD2 LEU 15 3HD2 LEU 15 14.167 -4.596 0.036 120 3HD2 LEU 15 2HD2 LEU 15 13.277 -3.789 1.340 121 H GLU 16 HN GLU 16 9.789 0.173 -1.007 122 HA GLU 16 HA GLU 16 7.177 -0.420 0.217 123 1HB GLU 16 HB2 GLU 16 8.010 2.010 -1.350 124 2HB GLU 16 HB1 GLU 16 6.452 1.761 -0.593 125 1HG GLU 16 HG2 GLU 16 7.553 1.777 1.595 126 2HG GLU 16 HG1 GLU 16 9.088 2.128 0.791 127 H LYS 17 HN LYS 17 5.608 -1.141 -1.085 128 HA LYS 17 HA LYS 17 6.114 -1.115 -3.981 129 1HB LYS 17 HB2 LYS 17 4.670 -3.192 -2.328 130 2HB LYS 17 HB1 LYS 17 4.793 -3.205 -4.080 131 1HG LYS 17 HG2 LYS 17 7.174 -3.526 -3.958 132 2HG LYS 17 HG1 LYS 17 7.138 -3.357 -2.200 133 1HD LYS 17 HD2 LYS 17 5.737 -5.332 -2.032 134 2HD LYS 17 HD1 LYS 17 5.739 -5.502 -3.785 135 1HE LYS 17 HE2 LYS 17 8.118 -5.878 -3.774 136 2HE LYS 17 HE1 LYS 17 8.192 -5.597 -2.039 137 1HZ LYS 17 HZ3 LYS 17 6.664 -7.780 -3.347 138 2HZ LYS 17 HZ2 LYS 17 8.163 -7.956 -2.605 139 3HZ LYS 17 HZ1 LYS 17 6.803 -7.525 -1.688 140 H VAL 18 HN VAL 18 4.731 0.228 -4.909 141 HA VAL 18 HA VAL 18 2.380 1.089 -3.420 142 HB VAL 18 HB VAL 18 3.337 2.181 -6.078 143 1HG1 VAL 18 1HG1 VAL 18 1.064 2.755 -5.569 144 2HG1 VAL 18 3HG1 VAL 18 1.555 3.410 -4.003 145 3HG1 VAL 18 2HG1 VAL 18 2.105 4.175 -5.496 146 1HG2 VAL 18 1HG2 VAL 18 4.092 3.166 -3.316 147 2HG2 VAL 18 3HG2 VAL 18 5.162 2.406 -4.503 148 3HG2 VAL 18 2HG2 VAL 18 4.457 3.973 -4.850 149 H TYR 19 HN TYR 19 0.657 -0.084 -3.679 150 HA TYR 19 HA TYR 19 0.140 -1.421 -6.216 151 1HB TYR 19 HB2 TYR 19 -1.117 -1.692 -3.499 152 2HB TYR 19 HB1 TYR 19 -1.575 -2.616 -4.925 153 HD1 TYR 19 HD1 TYR 19 0.965 -2.153 -2.315 154 HD2 TYR 19 HD2 TYR 19 -0.127 -4.311 -5.810 155 HE1 TYR 19 HE1 TYR 19 2.617 -3.878 -1.785 156 HE2 TYR 19 HE2 TYR 19 1.539 -6.022 -5.286 157 HH TYR 19 HH TYR 19 3.390 -6.399 -4.038 158 H LEU 20 HN LEU 20 -2.406 -1.603 -6.576 159 HA LEU 20 HA LEU 20 -3.231 1.173 -6.776 160 1HB LEU 20 HB2 LEU 20 -4.877 0.434 -8.448 161 2HB LEU 20 HB1 LEU 20 -3.253 -0.044 -8.862 162 HG LEU 20 HG LEU 20 -3.974 -2.339 -7.814 163 1HD1 LEU 20 3HD1 LEU 20 -6.123 -1.629 -6.958 164 2HD1 LEU 20 2HD1 LEU 20 -6.644 -1.194 -8.584 165 3HD1 LEU 20 1HD1 LEU 20 -6.318 -2.881 -8.186 166 1HD2 LEU 20 3HD2 LEU 20 -4.916 -1.398 -10.511 167 2HD2 LEU 20 2HD2 LEU 20 -3.314 -2.024 -10.119 168 3HD2 LEU 20 1HD2 LEU 20 -4.721 -3.081 -10.020 169 H ASP 21 HN ASP 21 -3.834 -1.518 -4.885 170 HA ASP 21 HA ASP 21 -6.509 -1.260 -4.079 171 1HB ASP 21 HB2 ASP 21 -5.198 -3.219 -3.526 172 2HB ASP 21 HB1 ASP 21 -4.067 -2.249 -2.595 173 H GLY 22 HN GLY 22 -3.589 0.320 -2.960 174 1HA GLY 22 HA1 GLY 22 -5.214 1.790 -1.005 175 2HA GLY 22 HA2 GLY 22 -4.048 2.662 -1.994 176 H ASP 23 HN ASP 23 -3.383 -0.512 -1.139 177 HA ASP 23 HA ASP 23 -1.875 0.190 1.169 178 1HB ASP 23 HB2 ASP 23 -1.595 -2.083 1.507 179 2HB ASP 23 HB1 ASP 23 -3.157 -2.025 0.696 180 H VAL 24 HN VAL 24 0.228 -0.805 1.259 181 HA VAL 24 HA VAL 24 1.842 -0.869 -1.024 182 HB VAL 24 HB VAL 24 1.989 1.476 -0.834 183 1HG1 VAL 24 2HG1 VAL 24 0.801 1.581 1.199 184 2HG1 VAL 24 1HG1 VAL 24 2.230 1.145 2.138 185 3HG1 VAL 24 3HG1 VAL 24 2.183 2.702 1.250 186 1HG2 VAL 24 2HG2 VAL 24 4.190 0.484 -0.941 187 2HG2 VAL 24 1HG2 VAL 24 4.241 1.970 0.009 188 3HG2 VAL 24 3HG2 VAL 24 4.267 0.400 0.820 189 H SER 25 HN SER 25 2.914 -2.562 -0.654 190 HA SER 25 HA SER 25 3.089 -3.690 1.963 191 1HB SER 25 HB2 SER 25 2.683 -5.032 -0.123 192 2HB SER 25 HB1 SER 25 4.335 -4.665 -0.625 193 HG SER 25 HG SER 25 4.885 -5.732 1.510 194 H ILE 26 HN ILE 26 4.431 -3.001 3.318 195 HA ILE 26 HA ILE 26 6.953 -1.769 2.568 196 HB ILE 26 HB ILE 26 5.633 -2.109 5.275 197 1HG1 ILE 26 2HG1 ILE 26 4.278 -0.699 3.875 198 2HG1 ILE 26 1HG1 ILE 26 5.081 0.297 5.090 199 1HG2 ILE 26 1HG2 ILE 26 8.031 -1.844 5.496 200 2HG2 ILE 26 3HG2 ILE 26 7.976 -0.395 4.488 201 3HG2 ILE 26 2HG2 ILE 26 7.187 -0.402 6.064 202 1HD1 ILE 26 2HD1 ILE 26 6.709 0.987 3.398 203 2HD1 ILE 26 1HD1 ILE 26 5.842 0.000 2.211 204 3HD1 ILE 26 3HD1 ILE 26 5.048 1.397 2.940 205 H GLU 27 HN GLU 27 8.684 -2.990 2.460 206 HA GLU 27 HA GLU 27 8.760 -5.393 4.099 207 1HB GLU 27 HB2 GLU 27 8.675 -6.051 1.885 208 2HB GLU 27 HB1 GLU 27 9.806 -4.842 1.340 209 1HG GLU 27 HG2 GLU 27 11.607 -6.010 2.207 210 2HG GLU 27 HG1 GLU 27 10.591 -7.013 3.221 211 H HIS 28 HN HIS 28 10.485 -5.808 5.295 212 HA HIS 28 HA HIS 28 12.436 -3.631 5.600 213 1HB HIS 28 HB2 HIS 28 11.591 -5.714 7.632 214 2HB HIS 28 HB1 HIS 28 12.707 -4.388 7.920 215 HD1 HIS 28 HD1 HIS 28 9.517 -5.135 8.983 216 HD2 HIS 28 HD2 HIS 28 11.039 -1.903 6.873 217 HE1 HIS 28 HE1 HIS 28 7.907 -3.250 9.362 218 H LYS 29 HN LYS 29 14.393 -4.119 4.840 219 HA LYS 29 HA LYS 29 15.268 -6.915 4.854 220 1HB LYS 29 HB2 LYS 29 15.472 -4.703 2.902 221 2HB LYS 29 HB1 LYS 29 16.700 -5.945 2.890 222 1HG LYS 29 HG2 LYS 29 13.796 -6.669 2.752 223 2HG LYS 29 HG1 LYS 29 14.620 -6.071 1.313 224 1HD LYS 29 HD2 LYS 29 15.483 -8.458 2.944 225 2HD LYS 29 HD1 LYS 29 14.548 -8.474 1.435 226 1HE LYS 29 HE2 LYS 29 16.352 -7.476 0.213 227 2HE LYS 29 HE1 LYS 29 17.306 -7.243 1.663 228 1HZ LYS 29 HZ1 LYS 29 16.544 -9.884 0.548 229 2HZ LYS 29 HZ3 LYS 29 18.060 -9.157 0.408 230 3HZ LYS 29 HZ2 LYS 29 17.488 -9.631 1.908 231 H HIS 30 HN HIS 30 17.256 -7.232 5.721 232 HA HIS 30 HA HIS 30 18.876 -4.858 6.207 233 1HB HIS 30 HB2 HIS 30 19.842 -5.914 8.247 234 2HB HIS 30 HB1 HIS 30 18.121 -5.630 8.402 235 HD1 HIS 30 HD1 HIS 30 20.666 -8.406 8.193 236 HD2 HIS 30 HD2 HIS 30 16.578 -7.928 8.768 237 HE1 HIS 30 HE1 HIS 30 19.826 -10.607 9.032 238 H GLU 31 HN GLU 31 20.548 -4.827 4.929 239 HA GLU 31 HA GLU 31 21.815 -7.400 4.455 240 1HB GLU 31 HB2 GLU 31 22.208 -6.832 2.102 241 2HB GLU 31 HB1 GLU 31 20.500 -6.985 2.519 242 1HG GLU 31 HG2 GLU 31 20.417 -4.487 2.574 243 2HG GLU 31 HG1 GLU 31 22.062 -4.524 1.944 244 H LYS 32 HN LYS 32 23.887 -7.488 4.420 245 HA LYS 32 HA LYS 32 25.357 -5.096 5.099 246 1HB LYS 32 HB2 LYS 32 26.062 -8.012 5.187 247 2HB LYS 32 HB1 LYS 32 27.213 -6.725 5.486 248 1HG LYS 32 HG2 LYS 32 25.912 -5.963 7.334 249 2HG LYS 32 HG1 LYS 32 24.730 -7.244 7.156 250 1HD LYS 32 HD2 LYS 32 27.615 -7.379 7.991 251 2HD LYS 32 HD1 LYS 32 26.197 -7.978 8.849 252 1HE LYS 32 HE2 LYS 32 25.931 -9.621 6.915 253 2HE LYS 32 HE1 LYS 32 27.530 -9.041 6.422 254 1HZ LYS 32 HZ1 LYS 32 28.443 -9.793 8.535 255 2HZ LYS 32 HZ3 LYS 32 26.919 -10.314 9.031 256 3HZ LYS 32 HZ2 LYS 32 27.692 -11.081 7.756 257 H VAL 33 HN VAL 33 26.126 -4.074 3.529 258 HA VAL 33 HA VAL 33 27.105 -5.591 1.243 259 HB VAL 33 HB VAL 33 25.242 -4.509 0.337 260 1HG1 VAL 33 2HG1 VAL 33 25.917 -2.074 1.935 261 2HG1 VAL 33 1HG1 VAL 33 24.619 -2.210 0.728 262 3HG1 VAL 33 3HG1 VAL 33 24.585 -3.226 2.161 263 1HG2 VAL 33 1HG2 VAL 33 27.194 -4.068 -0.984 264 2HG2 VAL 33 3HG2 VAL 33 26.065 -2.709 -1.089 265 3HG2 VAL 33 2HG2 VAL 33 27.478 -2.607 -0.030 266 H PHE 34 HN PHE 34 29.128 -5.070 0.360 267 HA PHE 34 HA PHE 34 30.881 -3.863 2.271 268 1HB PHE 34 HB2 PHE 34 31.491 -5.002 -0.443 269 2HB PHE 34 HB1 PHE 34 32.655 -4.563 0.801 270 HD1 PHE 34 HD1 PHE 34 31.087 -7.217 -0.682 271 HD2 PHE 34 HD2 PHE 34 32.028 -5.707 3.174 272 HE1 PHE 34 HE1 PHE 34 30.944 -9.492 0.235 273 HE2 PHE 34 HE2 PHE 34 31.891 -7.980 4.104 274 HZ PHE 34 HZ PHE 34 31.344 -9.875 2.630 275 H SER 35 HN SER 35 29.355 -2.801 -0.608 276 HA SER 35 HA SER 35 30.623 -0.202 -0.256 277 1HB SER 35 HB2 SER 35 31.988 -1.266 -2.011 278 2HB SER 35 HB1 SER 35 30.524 -1.653 -2.920 279 HG SER 35 HG SER 35 31.691 0.872 -2.395 280 H MET 36 HN MET 36 29.076 1.264 -0.245 281 HA MET 36 HA MET 36 26.362 0.662 -0.550 282 1HB MET 36 HB2 MET 36 27.869 3.250 -0.452 283 2HB MET 36 HB1 MET 36 26.137 3.242 -0.730 284 1HG MET 36 HG2 MET 36 26.842 1.590 1.505 285 2HG MET 36 HG1 MET 36 27.476 3.236 1.694 286 1HE MET 36 HE2 MET 36 24.353 2.239 -0.330 287 2HE MET 36 HE1 MET 36 24.152 1.086 0.992 288 3HE MET 36 HE3 MET 36 23.023 2.454 0.775 289 H ASP 37 HN ASP 37 28.703 1.718 -2.770 290 HA ASP 37 HA ASP 37 27.039 2.671 -4.866 291 1HB ASP 37 HB2 ASP 37 29.525 3.029 -4.694 292 2HB ASP 37 HB1 ASP 37 29.738 1.355 -5.180 293 H ASP 38 HN ASP 38 28.173 -0.506 -4.021 294 HA ASP 38 HA ASP 38 27.232 -1.860 -6.375 295 1HB ASP 38 HB2 ASP 38 29.025 -2.708 -4.756 296 2HB ASP 38 HB1 ASP 38 27.677 -2.989 -3.647 297 H PHE 39 HN PHE 39 25.946 -1.037 -3.250 298 HA PHE 39 HA PHE 39 23.567 -2.553 -3.348 299 1HB PHE 39 HB2 PHE 39 24.426 -1.792 -1.249 300 2HB PHE 39 HB1 PHE 39 24.408 -0.114 -1.771 301 HD1 PHE 39 HD1 PHE 39 22.282 1.038 -1.932 302 HD2 PHE 39 HD2 PHE 39 22.508 -2.884 -0.351 303 HE1 PHE 39 HE1 PHE 39 20.088 1.335 -0.871 304 HE2 PHE 39 HE2 PHE 39 20.313 -2.603 0.696 305 HZ PHE 39 HZ PHE 39 19.094 -0.480 0.422 306 H TRP 40 HN TRP 40 24.447 0.794 -4.221 307 HA TRP 40 HA TRP 40 21.863 1.632 -4.937 308 1HB TRP 40 HB2 TRP 40 24.497 2.643 -6.033 309 2HB TRP 40 HB1 TRP 40 22.947 3.462 -6.193 310 HD1 TRP 40 HD1 TRP 40 25.871 4.088 -4.428 311 HE1 TRP 40 HE1 TRP 40 25.532 5.024 -2.057 312 HE3 TRP 40 HE3 TRP 40 20.939 2.930 -3.786 313 HZ2 TRP 40 HZ2 TRP 40 23.457 5.249 -0.198 314 HZ3 TRP 40 HZ3 TRP 40 19.869 3.546 -1.685 315 HH2 TRP 40 HH2 TRP 40 21.089 4.681 0.062 316 H ALA 41 HN ALA 41 24.374 0.075 -6.720 317 HA ALA 41 HA ALA 41 23.006 0.156 -9.222 318 1HB ALA 41 HB2 ALA 41 24.647 -1.505 -9.969 319 2HB ALA 41 HB1 ALA 41 25.438 -0.207 -9.074 320 3HB ALA 41 HB3 ALA 41 25.148 -1.761 -8.296 321 H ALA 42 HN ALA 42 23.009 -2.037 -6.534 322 HA ALA 42 HA ALA 42 21.569 -4.142 -7.753 323 1HB ALA 42 HB1 ALA 42 21.681 -3.371 -4.841 324 2HB ALA 42 HB3 ALA 42 21.172 -4.939 -5.476 325 3HB ALA 42 HB2 ALA 42 22.845 -4.395 -5.663 326 H TYR 43 HN TYR 43 20.475 -1.247 -6.010 327 HA TYR 43 HA TYR 43 17.664 -2.002 -6.583 328 1HB TYR 43 HB2 TYR 43 18.848 -0.216 -4.455 329 2HB TYR 43 HB1 TYR 43 17.135 -0.348 -4.786 330 HD1 TYR 43 HD1 TYR 43 20.073 -2.337 -3.634 331 HD2 TYR 43 HD2 TYR 43 15.847 -2.071 -3.902 332 HE1 TYR 43 HE1 TYR 43 19.855 -4.289 -2.148 333 HE2 TYR 43 HE2 TYR 43 15.616 -4.003 -2.431 334 HH TYR 43 HH TYR 43 18.234 -5.298 -0.674 335 H ALA 44 HN ALA 44 19.839 -0.441 -8.198 336 HA ALA 44 HA ALA 44 19.218 2.147 -8.562 337 1HB ALA 44 HB2 ALA 44 21.000 0.956 -9.734 338 2HB ALA 44 HB1 ALA 44 19.803 0.219 -10.798 339 3HB ALA 44 HB3 ALA 44 20.046 1.964 -10.824 340 H GLY 45 HN GLY 45 17.200 -0.510 -9.584 341 1HA GLY 45 HA1 GLY 45 15.287 -0.573 -10.884 342 2HA GLY 45 HA2 GLY 45 15.599 1.084 -11.372 343 H TRP 46 HN TRP 46 15.449 0.254 -7.948 344 HA TRP 46 HA TRP 46 12.706 0.948 -7.592 345 1HB TRP 46 HB2 TRP 46 14.995 0.951 -5.604 346 2HB TRP 46 HB1 TRP 46 13.290 1.022 -5.215 347 HD1 TRP 46 HD1 TRP 46 15.751 -1.419 -6.907 348 HE1 TRP 46 HE1 TRP 46 15.106 -3.813 -6.225 349 HE3 TRP 46 HE3 TRP 46 11.653 -0.340 -4.127 350 HZ2 TRP 46 HZ2 TRP 46 13.087 -5.078 -4.653 351 HZ3 TRP 46 HZ3 TRP 46 10.413 -2.179 -3.089 352 HH2 TRP 46 HH2 TRP 46 11.124 -4.499 -3.371 353 H THR 47 HN THR 47 11.994 2.954 -6.488 354 HA THR 47 HA THR 47 13.512 5.271 -7.244 355 HB THR 47 HB THR 47 10.875 4.937 -5.821 356 HG1 THR 47 HG1 THR 47 11.531 5.194 -8.567 357 1HG2 THR 47 2HG2 THR 47 11.872 7.114 -5.500 358 2HG2 THR 47 1HG2 THR 47 12.065 7.311 -7.248 359 3HG2 THR 47 3HG2 THR 47 10.443 7.235 -6.533 360 H LEU 48 HN LEU 48 14.973 6.068 -5.813 361 HA LEU 48 HA LEU 48 15.077 5.212 -3.080 362 1HB LEU 48 HB2 LEU 48 17.089 5.692 -4.502 363 2HB LEU 48 HB1 LEU 48 16.638 7.373 -4.537 364 HG LEU 48 HG LEU 48 18.577 6.728 -3.032 365 1HD1 LEU 48 1HD1 LEU 48 17.476 8.873 -2.756 366 2HD1 LEU 48 3HD1 LEU 48 16.312 8.135 -1.645 367 3HD1 LEU 48 2HD1 LEU 48 18.031 8.193 -1.230 368 1HD2 LEU 48 2HD2 LEU 48 17.677 4.694 -2.090 369 2HD2 LEU 48 1HD2 LEU 48 18.049 5.868 -0.821 370 3HD2 LEU 48 3HD2 LEU 48 16.381 5.607 -1.312 371 H VAL 49 HN VAL 49 13.687 6.000 -1.629 372 HA VAL 49 HA VAL 49 12.513 8.598 -2.131 373 HB VAL 49 HB VAL 49 11.754 6.557 0.051 374 1HG1 VAL 49 2HG1 VAL 49 10.416 9.125 -0.755 375 2HG1 VAL 49 1HG1 VAL 49 9.794 7.924 0.384 376 3HG1 VAL 49 3HG1 VAL 49 11.276 8.802 0.754 377 1HG2 VAL 49 3HG2 VAL 49 11.291 5.814 -2.232 378 2HG2 VAL 49 2HG2 VAL 49 9.815 6.160 -1.334 379 3HG2 VAL 49 1HG2 VAL 49 10.412 7.311 -2.534 380 H GLU 50 HN GLU 50 14.385 6.957 0.399 381 HA GLU 50 HA GLU 50 15.768 9.398 0.876 382 1HB GLU 50 HB2 GLU 50 15.320 9.586 3.267 383 2HB GLU 50 HB1 GLU 50 13.821 9.750 2.369 384 1HG GLU 50 HG2 GLU 50 13.115 7.621 2.997 385 2HG GLU 50 HG1 GLU 50 14.708 7.180 3.613 386 H GLN 51 HN GLN 51 17.555 9.058 2.256 387 HA GLN 51 HA GLN 51 18.023 6.394 3.210 388 1HB GLN 51 HB2 GLN 51 20.292 6.349 2.248 389 2HB GLN 51 HB1 GLN 51 18.989 6.354 1.054 390 1HG GLN 51 HG2 GLN 51 19.394 8.645 0.529 391 2HG GLN 51 HG1 GLN 51 20.589 8.770 1.819 392 1HE2 GLN 51 1HE2 GLN 51 19.855 7.346 -1.219 393 2HE2 GLN 51 2HE2 GLN 51 21.483 6.884 -1.634 394 H LYS 52 HN LYS 52 19.172 6.321 4.997 395 HA LYS 52 HA LYS 52 20.718 8.556 5.830 396 1HB LYS 52 HB2 LYS 52 19.691 8.347 8.160 397 2HB LYS 52 HB1 LYS 52 18.821 9.305 6.960 398 1HG LYS 52 HG2 LYS 52 17.217 7.452 6.715 399 2HG LYS 52 HG1 LYS 52 18.210 6.469 7.789 400 1HD LYS 52 HD2 LYS 52 17.838 7.914 9.637 401 2HD LYS 52 HD1 LYS 52 16.991 9.094 8.634 402 1HE LYS 52 HE2 LYS 52 15.964 6.288 8.978 403 2HE LYS 52 HE1 LYS 52 15.655 7.514 10.194 404 1HZ LYS 52 HZ1 LYS 52 14.827 7.780 7.309 405 2HZ LYS 52 HZ3 LYS 52 13.835 7.367 8.609 406 3HZ LYS 52 HZ2 LYS 52 14.564 8.854 8.552 407 H LYS 53 HN LYS 53 22.480 7.446 5.698 408 HA LYS 53 HA LYS 53 24.078 5.898 5.921 409 1HB LYS 53 HB2 LYS 53 23.964 7.481 7.923 410 2HB LYS 53 HB1 LYS 53 23.399 6.083 8.820 411 1HG LYS 53 HG2 LYS 53 25.975 6.156 7.285 412 2HG LYS 53 HG1 LYS 53 25.804 6.627 8.976 413 1HD LYS 53 HD2 LYS 53 25.087 4.392 9.547 414 2HD LYS 53 HD1 LYS 53 25.058 3.956 7.838 415 1HE LYS 53 HE2 LYS 53 27.412 4.241 7.664 416 2HE LYS 53 HE1 LYS 53 27.522 4.821 9.328 417 1HZ LYS 53 HZ3 LYS 53 26.664 2.074 8.535 418 2HZ LYS 53 HZ2 LYS 53 28.171 2.476 9.165 419 3HZ LYS 53 HZ1 LYS 53 26.798 2.651 10.096 420 H GLY 54 HN GLY 54 22.170 4.720 8.441 421 1HA GLY 54 HA1 GLY 54 22.145 2.464 9.180 422 2HA GLY 54 HA2 GLY 54 22.903 2.004 7.664 423 H TYR 55 HN TYR 55 20.120 4.065 7.324 424 HA TYR 55 HA TYR 55 18.644 1.682 6.545 425 1HB TYR 55 HB2 TYR 55 17.493 2.295 8.440 426 2HB TYR 55 HB1 TYR 55 17.915 3.987 8.280 427 HD1 TYR 55 HD1 TYR 55 15.555 1.369 7.147 428 HD2 TYR 55 HD2 TYR 55 16.600 5.445 7.101 429 HE1 TYR 55 HE1 TYR 55 13.324 1.917 6.252 430 HE2 TYR 55 HE2 TYR 55 14.421 6.053 6.219 431 HH TYR 55 HH TYR 55 11.845 3.661 6.031 432 H VAL 56 HN VAL 56 17.669 1.774 4.613 433 HA VAL 56 HA VAL 56 17.684 4.312 3.170 434 HB VAL 56 HB VAL 56 18.614 1.619 2.080 435 1HG1 VAL 56 1HG1 VAL 56 17.181 2.755 0.456 436 2HG1 VAL 56 3HG1 VAL 56 18.163 4.210 0.609 437 3HG1 VAL 56 2HG1 VAL 56 18.864 2.742 -0.069 438 1HG2 VAL 56 3HG2 VAL 56 20.320 2.943 3.295 439 2HG2 VAL 56 2HG2 VAL 56 20.688 2.781 1.571 440 3HG2 VAL 56 1HG2 VAL 56 20.017 4.285 2.192 441 H LEU 57 HN LEU 57 15.826 4.704 2.057 442 HA LEU 57 HA LEU 57 13.786 2.627 2.139 443 1HB LEU 57 HB2 LEU 57 13.137 4.384 3.541 444 2HB LEU 57 HB1 LEU 57 13.724 5.600 2.430 445 HG LEU 57 HG LEU 57 11.871 5.075 0.917 446 1HD1 LEU 57 1HD1 LEU 57 11.536 2.821 1.474 447 2HD1 LEU 57 3HD1 LEU 57 10.708 3.335 2.994 448 3HD1 LEU 57 2HD1 LEU 57 10.158 3.907 1.387 449 1HD2 LEU 57 2HD2 LEU 57 11.152 5.851 3.717 450 2HD2 LEU 57 1HD2 LEU 57 11.515 6.914 2.365 451 3HD2 LEU 57 3HD2 LEU 57 10.033 5.961 2.355 452 H PHE 58 HN PHE 58 13.380 1.763 0.258 453 HA PHE 58 HA PHE 58 13.513 3.346 -2.245 454 1HB PHE 58 HB2 PHE 58 14.511 0.618 -1.601 455 2HB PHE 58 HB1 PHE 58 13.781 0.850 -3.171 456 HD1 PHE 58 HD1 PHE 58 14.725 2.764 -4.581 457 HD2 PHE 58 HD2 PHE 58 16.754 1.049 -1.291 458 HE1 PHE 58 HE1 PHE 58 16.858 3.560 -5.505 459 HE2 PHE 58 HE2 PHE 58 18.897 1.836 -2.217 460 HZ PHE 58 HZ PHE 58 18.945 3.094 -4.320 461 H ARG 59 HN ARG 59 11.853 3.033 -3.717 462 HA ARG 59 HA ARG 59 9.791 1.097 -2.942 463 1HB ARG 59 HB2 ARG 59 7.993 2.590 -3.726 464 2HB ARG 59 HB1 ARG 59 8.923 3.318 -2.419 465 1HG ARG 59 HG2 ARG 59 10.057 4.732 -3.992 466 2HG ARG 59 HG1 ARG 59 9.188 3.931 -5.322 467 1HD ARG 59 HD2 ARG 59 8.256 6.089 -4.617 468 2HD ARG 59 HD1 ARG 59 7.113 4.744 -4.595 469 HE ARG 59 HE ARG 59 8.259 4.999 -2.025 470 1HH1 ARG 59 1HH1 ARG 59 6.005 6.790 -4.096 471 2HH1 ARG 59 2HH1 ARG 59 5.130 7.425 -2.796 472 1HH2 ARG 59 1HH2 ARG 59 7.129 5.819 -0.333 473 2HH2 ARG 59 2HH2 ARG 59 5.791 6.892 -0.532 474 H LYS 60 HN LYS 60 8.764 0.001 -4.482 475 HA LYS 60 HA LYS 60 9.454 0.406 -7.303 476 1HB LYS 60 HB2 LYS 60 10.936 -1.336 -6.445 477 2HB LYS 60 HB1 LYS 60 9.574 -2.199 -5.740 478 1HG LYS 60 HG2 LYS 60 10.013 -3.423 -7.634 479 2HG LYS 60 HG1 LYS 60 8.796 -2.310 -8.242 480 1HD LYS 60 HD2 LYS 60 10.589 -2.428 -9.849 481 2HD LYS 60 HD1 LYS 60 10.654 -0.852 -9.056 482 1HE LYS 60 HE2 LYS 60 12.520 -1.422 -7.769 483 2HE LYS 60 HE1 LYS 60 12.389 -3.131 -8.056 484 1HZ LYS 60 HZ2 LYS 60 13.014 -1.117 -10.150 485 2HZ LYS 60 HZ1 LYS 60 14.143 -2.147 -9.407 486 3HZ LYS 60 HZ3 LYS 60 12.927 -2.750 -10.380 487 H GLN 61 HN GLN 61 7.520 0.429 -8.375 488 HA GLN 61 HA GLN 61 5.313 -0.807 -6.955 489 1HB GLN 61 HB2 GLN 61 3.838 0.997 -7.764 490 2HB GLN 61 HB1 GLN 61 5.090 1.488 -6.630 491 1HG GLN 61 HG2 GLN 61 6.410 2.238 -8.617 492 2HG GLN 61 HG1 GLN 61 4.915 2.047 -9.565 493 1HE2 GLN 61 1HE2 GLN 61 6.572 3.763 -7.151 494 2HE2 GLN 61 2HE2 GLN 61 5.497 5.093 -6.947 495 H MET 62 HN MET 62 3.779 -1.833 -7.951 496 HA MET 62 HA MET 62 4.107 -2.358 -10.795 497 1HB MET 62 HB2 MET 62 3.713 -4.392 -8.576 498 2HB MET 62 HB1 MET 62 3.455 -4.753 -10.266 499 1HG MET 62 HG2 MET 62 5.581 -5.617 -9.677 500 2HG MET 62 HG1 MET 62 5.864 -4.204 -10.676 501 1HE MET 62 HE3 MET 62 6.062 -5.767 -7.081 502 2HE MET 62 HE2 MET 62 6.598 -4.401 -6.106 503 3HE MET 62 HE1 MET 62 4.970 -4.412 -6.783 504 H ASP 63 HN ASP 63 2.114 -3.157 -11.736 505 HA ASP 63 HA ASP 63 -0.159 -1.841 -10.503 506 1HB ASP 63 HB2 ASP 63 0.268 -1.354 -12.855 507 2HB ASP 63 HB1 ASP 63 0.150 -3.061 -13.257 508 H ASP 64 HN ASP 64 -0.750 -3.173 -8.868 509 HA ASP 64 HA ASP 64 -2.464 -5.376 -9.484 510 1HB ASP 64 HB2 ASP 64 0.055 -6.256 -9.478 511 2HB ASP 64 HB1 ASP 64 -0.098 -6.088 -7.738 512 H ILE 65 HN ILE 65 -2.729 -6.423 -7.027 513 HA ILE 65 HA ILE 65 -2.906 -4.152 -5.163 514 HB ILE 65 HB ILE 65 -4.768 -5.303 -4.054 515 1HG1 ILE 65 2HG1 ILE 65 -4.490 -7.312 -6.281 516 2HG1 ILE 65 1HG1 ILE 65 -4.164 -7.594 -4.580 517 1HG2 ILE 65 1HG2 ILE 65 -5.331 -3.681 -5.764 518 2HG2 ILE 65 3HG2 ILE 65 -5.245 -4.933 -7.002 519 3HG2 ILE 65 2HG2 ILE 65 -6.506 -4.996 -5.772 520 1HD1 ILE 65 3HD1 ILE 65 -6.543 -7.260 -4.065 521 2HD1 ILE 65 2HD1 ILE 65 -6.870 -7.016 -5.781 522 3HD1 ILE 65 1HD1 ILE 65 -6.298 -8.581 -5.210 523 H SER 66 HN SER 66 -2.921 -5.142 -2.785 524 HA SER 66 HA SER 66 -0.399 -6.267 -2.448 525 1HB SER 66 HB2 SER 66 -1.136 -6.593 -0.064 526 2HB SER 66 HB1 SER 66 -1.265 -4.952 -0.694 527 HG SER 66 HG SER 66 -3.272 -5.013 -0.486 528 HA PRO 67 HA PRO 67 -0.896 -10.669 -2.519 529 1HB PRO 67 HB2 PRO 67 0.558 -11.258 -0.209 530 2HB PRO 67 HB1 PRO 67 1.252 -11.077 -1.823 531 1HG PRO 67 HG2 PRO 67 1.107 -9.117 0.419 532 2HG PRO 67 HG1 PRO 67 2.415 -9.398 -0.747 533 1HD PRO 67 HD2 PRO 67 0.777 -7.307 -0.980 534 2HD PRO 67 HD1 PRO 67 1.349 -8.181 -2.414 535 H LEU 68 HN LEU 68 -1.670 -8.716 0.264 536 HA LEU 68 HA LEU 68 -3.137 -10.831 1.540 537 1HB LEU 68 HB2 LEU 68 -1.781 -8.780 2.579 538 2HB LEU 68 HB1 LEU 68 -3.342 -8.003 2.446 539 HG LEU 68 HG LEU 68 -2.955 -8.896 4.696 540 1HD1 LEU 68 1HD1 LEU 68 -5.280 -8.819 3.888 541 2HD1 LEU 68 3HD1 LEU 68 -5.092 -10.463 3.267 542 3HD1 LEU 68 2HD1 LEU 68 -5.011 -10.167 5.000 543 1HD2 LEU 68 2HD2 LEU 68 -1.487 -10.756 4.027 544 2HD2 LEU 68 1HD2 LEU 68 -2.784 -11.274 5.116 545 3HD2 LEU 68 3HD2 LEU 68 -2.895 -11.607 3.392 546 H SER 69 HN SER 69 -3.890 -7.787 -0.281 547 HA SER 69 HA SER 69 -6.651 -7.906 0.135 548 1HB SER 69 HB2 SER 69 -5.371 -5.913 -0.760 549 2HB SER 69 HB1 SER 69 -5.203 -6.762 -2.289 550 HG SER 69 HG SER 69 -7.051 -5.147 -1.745 551 H LYS 70 HN LYS 70 -4.593 -9.707 -1.930 552 HA LYS 70 HA LYS 70 -6.823 -10.765 -3.429 553 1HB LYS 70 HB2 LYS 70 -5.174 -12.092 -4.666 554 2HB LYS 70 HB1 LYS 70 -4.874 -10.360 -4.670 555 1HG LYS 70 HG2 LYS 70 -3.164 -10.700 -2.936 556 2HG LYS 70 HG1 LYS 70 -3.424 -12.442 -3.066 557 1HD LYS 70 HD2 LYS 70 -1.533 -11.820 -4.398 558 2HD LYS 70 HD1 LYS 70 -2.894 -12.312 -5.432 559 1HE LYS 70 HE2 LYS 70 -3.432 -9.960 -5.886 560 2HE LYS 70 HE1 LYS 70 -2.142 -9.445 -4.809 561 1HZ LYS 70 HZ2 LYS 70 -1.741 -10.973 -7.326 562 2HZ LYS 70 HZ1 LYS 70 -1.621 -9.302 -7.149 563 3HZ LYS 70 HZ3 LYS 70 -0.535 -10.294 -6.336 564 H VAL 71 HN VAL 71 -5.600 -11.453 -0.462 565 HA VAL 71 HA VAL 71 -6.637 -14.194 -0.655 566 HB VAL 71 HB VAL 71 -5.604 -14.790 1.416 567 1HG1 VAL 71 3HG1 VAL 71 -4.022 -14.638 -0.371 568 2HG1 VAL 71 2HG1 VAL 71 -3.705 -12.959 0.114 569 3HG1 VAL 71 1HG1 VAL 71 -3.280 -14.273 1.203 570 1HG2 VAL 71 1HG2 VAL 71 -6.200 -12.854 2.788 571 2HG2 VAL 71 3HG2 VAL 71 -4.493 -13.278 2.979 572 3HG2 VAL 71 2HG2 VAL 71 -4.963 -11.914 1.960 573 H ASN 72 HN ASN 72 -6.965 -11.168 0.979 574 HA ASN 72 HA ASN 72 -9.768 -11.579 1.522 575 1HB ASN 72 HB2 ASN 72 -7.680 -11.445 3.671 576 2HB ASN 72 HB1 ASN 72 -9.235 -10.720 3.979 577 1HD2 ASN 72 1HD2 ASN 72 -10.825 -12.721 2.593 578 2HD2 ASN 72 2HD2 ASN 72 -10.699 -14.167 3.511 579 H GLY 73 HN GLY 73 -9.455 -9.913 -0.182 580 1HA GLY 73 HA1 GLY 73 -9.482 -7.721 -0.852 581 2HA GLY 73 HA2 GLY 73 -8.566 -7.317 0.598 582 H TYR 74 HN TYR 74 -9.570 -6.303 2.169 583 HA TYR 74 HA TYR 74 -12.446 -6.511 2.344 584 1HB TYR 74 HB2 TYR 74 -10.310 -6.506 4.432 585 2HB TYR 74 HB1 TYR 74 -11.860 -5.768 4.801 586 HD1 TYR 74 HD1 TYR 74 -13.543 -7.077 5.635 587 HD2 TYR 74 HD2 TYR 74 -10.398 -8.970 3.537 588 HE1 TYR 74 HE1 TYR 74 -14.490 -9.256 6.232 589 HE2 TYR 74 HE2 TYR 74 -11.335 -11.178 4.135 590 HH TYR 74 HH TYR 74 -12.803 -12.212 5.695 591 H ILE 75 HN ILE 75 -13.084 -4.851 1.469 592 HA ILE 75 HA ILE 75 -11.764 -2.323 1.802 593 HB ILE 75 HB ILE 75 -14.068 -3.378 0.316 594 1HG1 ILE 75 2HG1 ILE 75 -11.560 -2.036 -0.610 595 2HG1 ILE 75 1HG1 ILE 75 -11.838 -3.770 -0.516 596 1HG2 ILE 75 3HG2 ILE 75 -14.737 -1.061 1.027 597 2HG2 ILE 75 2HG2 ILE 75 -13.204 -0.428 0.423 598 3HG2 ILE 75 1HG2 ILE 75 -14.404 -1.052 -0.705 599 1HD1 ILE 75 3HD1 ILE 75 -13.644 -3.473 -2.219 600 2HD1 ILE 75 2HD1 ILE 75 -13.229 -1.770 -2.303 601 3HD1 ILE 75 1HD1 ILE 75 -12.057 -2.982 -2.807 602 H GLY 76 HN GLY 76 -12.224 -1.056 3.378 603 1HA GLY 76 HA1 GLY 76 -12.996 -1.115 5.657 604 2HA GLY 76 HA2 GLY 76 -14.537 -1.703 5.040 605 H VAL 77 HN VAL 77 -16.005 -0.338 4.640 606 HA VAL 77 HA VAL 77 -15.180 2.421 4.407 607 HB VAL 77 HB VAL 77 -17.690 1.131 3.410 608 1HG1 VAL 77 1HG1 VAL 77 -16.828 4.013 3.217 609 2HG1 VAL 77 3HG1 VAL 77 -18.210 3.309 2.386 610 3HG1 VAL 77 2HG1 VAL 77 -18.188 3.397 4.153 611 1HG2 VAL 77 2HG2 VAL 77 -15.295 2.260 2.023 612 2HG2 VAL 77 1HG2 VAL 77 -15.829 0.593 2.007 613 3HG2 VAL 77 3HG2 VAL 77 -16.774 1.835 1.167 614 H SER 78 HN SER 78 -15.697 3.741 5.799 615 HA SER 78 HA SER 78 -17.031 2.714 8.173 616 1HB SER 78 HB2 SER 78 -15.441 5.255 7.803 617 2HB SER 78 HB1 SER 78 -15.893 4.490 9.327 618 HG SER 78 HG SER 78 -14.241 3.276 7.356 619 H ASP 79 HN ASP 79 -18.368 4.521 9.360 620 HA ASP 79 HA ASP 79 -20.750 4.849 8.053 621 1HB ASP 79 HB2 ASP 79 -20.614 5.037 10.447 622 2HB ASP 79 HB1 ASP 79 -19.660 6.511 10.314 623 H ASN 80 HN ASN 80 -18.170 7.211 8.153 624 HA ASN 80 HA ASN 80 -19.769 9.204 6.821 625 1HB ASN 80 HB2 ASN 80 -16.853 9.155 7.584 626 2HB ASN 80 HB1 ASN 80 -17.583 10.497 6.717 627 1HD2 ASN 80 1HD2 ASN 80 -17.299 8.865 9.766 628 2HD2 ASN 80 2HD2 ASN 80 -18.127 10.049 10.690 629 H GLY 81 HN GLY 81 -18.756 6.477 5.603 630 1HA GLY 81 HA1 GLY 81 -18.685 7.454 2.932 631 2HA GLY 81 HA2 GLY 81 -18.617 5.778 3.464 632 H VAL 82 HN VAL 82 -16.532 6.099 5.176 633 HA VAL 82 HA VAL 82 -14.273 7.162 3.751 634 HB VAL 82 HB VAL 82 -14.235 5.280 6.109 635 1HG1 VAL 82 3HG1 VAL 82 -12.170 7.228 5.092 636 2HG1 VAL 82 2HG1 VAL 82 -12.033 6.278 6.574 637 3HG1 VAL 82 1HG1 VAL 82 -12.082 5.470 5.005 638 1HG2 VAL 82 2HG2 VAL 82 -14.343 8.285 6.054 639 2HG2 VAL 82 1HG2 VAL 82 -15.598 7.187 6.613 640 3HG2 VAL 82 3HG2 VAL 82 -14.078 7.300 7.507 641 H ILE 83 HN ILE 83 -13.483 6.256 2.121 642 HA ILE 83 HA ILE 83 -14.083 3.565 1.307 643 HB ILE 83 HB ILE 83 -12.664 5.723 -0.325 644 1HG1 ILE 83 2HG1 ILE 83 -14.843 6.525 0.306 645 2HG1 ILE 83 1HG1 ILE 83 -14.917 6.005 -1.376 646 1HG2 ILE 83 3HG2 ILE 83 -14.066 3.175 -1.203 647 2HG2 ILE 83 2HG2 ILE 83 -13.401 4.396 -2.292 648 3HG2 ILE 83 1HG2 ILE 83 -12.328 3.458 -1.253 649 1HD1 ILE 83 3HD1 ILE 83 -15.840 4.408 0.984 650 2HD1 ILE 83 2HD1 ILE 83 -16.901 5.320 -0.105 651 3HD1 ILE 83 1HD1 ILE 83 -15.986 3.929 -0.704 652 H SER 84 HN SER 84 -12.521 3.218 3.341 653 HA SER 84 HA SER 84 -9.715 3.282 2.436 654 1HB SER 84 HB2 SER 84 -9.348 2.759 4.921 655 2HB SER 84 HB1 SER 84 -9.964 4.356 4.498 656 HG SER 84 HG SER 84 -11.845 2.338 4.987 657 H THR 85 HN THR 85 -8.485 1.393 2.215 658 HA THR 85 HA THR 85 -10.005 -1.048 2.421 659 HB THR 85 HB THR 85 -8.081 -2.150 1.300 660 HG1 THR 85 HG1 THR 85 -6.391 -1.002 0.595 661 1HG2 THR 85 1HG2 THR 85 -9.853 -1.183 -0.052 662 2HG2 THR 85 3HG2 THR 85 -9.002 0.363 -0.084 663 3HG2 THR 85 2HG2 THR 85 -8.288 -1.054 -0.859 664 H PHE 86 HN PHE 86 -9.261 -2.870 3.557 665 HA PHE 86 HA PHE 86 -7.354 -2.280 5.637 666 1HB PHE 86 HB2 PHE 86 -10.118 -3.465 6.008 667 2HB PHE 86 HB1 PHE 86 -8.850 -3.615 7.205 668 HD1 PHE 86 HD1 PHE 86 -10.826 -1.083 5.342 669 HD2 PHE 86 HD2 PHE 86 -8.653 -2.042 8.845 670 HE1 PHE 86 HE1 PHE 86 -11.637 0.986 6.398 671 HE2 PHE 86 HE2 PHE 86 -9.443 0.030 9.917 672 HZ PHE 86 HZ PHE 86 -10.939 1.548 8.690 673 H HIS 87 HN HIS 87 -6.767 -4.391 6.700 674 HA HIS 87 HA HIS 87 -7.052 -6.605 4.857 675 1HB HIS 87 HB2 HIS 87 -4.923 -7.506 6.066 676 2HB HIS 87 HB1 HIS 87 -4.723 -6.221 4.891 677 HD1 HIS 87 HD1 HIS 87 -3.672 -4.052 5.724 678 HD2 HIS 87 HD2 HIS 87 -4.591 -6.693 8.788 679 HE1 HIS 87 HE1 HIS 87 -2.563 -3.128 7.799 680 H GLY 88 HN GLY 88 -8.684 -7.681 5.492 681 1HA GLY 88 HA1 GLY 88 -8.772 -8.613 8.256 682 2HA GLY 88 HA2 GLY 88 -9.672 -9.294 6.899 683 H ARG 89 HN ARG 89 -11.278 -8.998 8.792 684 HA ARG 89 HA ARG 89 -13.344 -7.352 8.168 685 1HB ARG 89 HB2 ARG 89 -12.539 -8.466 10.842 686 2HB ARG 89 HB1 ARG 89 -14.037 -7.583 10.559 687 1HG ARG 89 HG2 ARG 89 -13.355 -9.958 8.923 688 2HG ARG 89 HG1 ARG 89 -14.125 -10.106 10.509 689 1HD ARG 89 HD2 ARG 89 -15.183 -8.495 8.184 690 2HD ARG 89 HD1 ARG 89 -15.756 -10.070 8.738 691 HE ARG 89 HE ARG 89 -15.794 -7.910 10.675 692 1HH1 ARG 89 1HH1 ARG 89 -17.655 -9.777 8.328 693 2HH1 ARG 89 2HH1 ARG 89 -19.150 -9.515 9.085 694 1HH2 ARG 89 1HH2 ARG 89 -17.826 -7.503 11.706 695 2HH2 ARG 89 2HH2 ARG 89 -19.254 -8.191 11.077 696 HA PRO 90 HA PRO 90 -11.889 -3.373 9.525 697 1HB PRO 90 HB2 PRO 90 -13.899 -1.892 8.486 698 2HB PRO 90 HB1 PRO 90 -12.599 -2.560 7.498 699 1HG PRO 90 HG2 PRO 90 -15.408 -3.454 7.786 700 2HG PRO 90 HG1 PRO 90 -14.351 -3.576 6.382 701 1HD PRO 90 HD2 PRO 90 -14.990 -5.598 8.153 702 2HD PRO 90 HD1 PRO 90 -13.643 -5.637 7.004 703 H GLU 91 HN GLU 91 -12.041 -2.941 11.487 704 HA GLU 91 HA GLU 91 -14.569 -2.166 12.698 705 1HB GLU 91 HB2 GLU 91 -13.913 -3.408 14.802 706 2HB GLU 91 HB1 GLU 91 -14.193 -4.459 13.435 707 1HG GLU 91 HG2 GLU 91 -11.826 -4.712 13.092 708 2HG GLU 91 HG1 GLU 91 -11.504 -3.570 14.399 709 HA PRO 92 HA PRO 92 -11.999 1.185 14.037 710 1HB PRO 92 HB2 PRO 92 -12.384 1.454 16.753 711 2HB PRO 92 HB1 PRO 92 -13.477 2.109 15.528 712 1HG PRO 92 HG2 PRO 92 -13.745 -0.324 17.207 713 2HG PRO 92 HG1 PRO 92 -15.000 0.735 16.558 714 1HD PRO 92 HD2 PRO 92 -14.332 -1.738 15.548 715 2HD PRO 92 HD1 PRO 92 -15.144 -0.464 14.597 716 H ALA 93 HN ALA 93 -11.622 -1.756 15.792 717 HA ALA 93 HA ALA 93 -9.039 -0.980 16.781 718 1HB ALA 93 HB2 ALA 93 -10.453 -2.477 18.077 719 2HB ALA 93 HB3 ALA 93 -8.909 -3.234 17.674 720 3HB ALA 93 HB1 ALA 93 -10.366 -3.674 16.788 721 H SER 94 HN SER 94 -10.114 -1.842 13.737 722 HA SER 94 HA SER 94 -7.620 -3.207 13.207 723 1HB SER 94 HB2 SER 94 -8.522 -3.528 10.912 724 2HB SER 94 HB1 SER 94 -9.495 -4.322 12.151 725 HG SER 94 HG SER 94 -10.304 -1.773 11.621 726 H GLU 95 HN GLU 95 -6.333 -2.475 11.346 727 HA GLU 95 HA GLU 95 -5.993 0.383 11.716 728 1HB GLU 95 HB2 GLU 95 -4.107 -1.746 10.725 729 2HB GLU 95 HB1 GLU 95 -3.690 -0.052 10.977 730 1HG GLU 95 HG2 GLU 95 -4.076 -0.215 13.301 731 2HG GLU 95 HG1 GLU 95 -4.790 -1.809 13.138 732 HA PRO 96 HA PRO 96 -7.447 0.878 7.470 733 1HB PRO 96 HB2 PRO 96 -6.807 3.700 7.906 734 2HB PRO 96 HB1 PRO 96 -8.372 2.965 7.560 735 1HG PRO 96 HG2 PRO 96 -7.749 4.025 9.969 736 2HG PRO 96 HG1 PRO 96 -8.877 2.672 9.770 737 1HD PRO 96 HD2 PRO 96 -6.036 2.645 10.703 738 2HD PRO 96 HD1 PRO 96 -7.427 1.659 11.205 739 H ILE 97 HN ILE 97 -6.302 0.827 5.715 740 HA ILE 97 HA ILE 97 -3.461 1.075 5.862 741 HB ILE 97 HB ILE 97 -5.319 0.453 3.560 742 1HG1 ILE 97 2HG1 ILE 97 -3.548 -1.388 5.174 743 2HG1 ILE 97 1HG1 ILE 97 -5.254 -1.129 5.510 744 1HG2 ILE 97 2HG2 ILE 97 -2.299 0.287 3.715 745 2HG2 ILE 97 1HG2 ILE 97 -3.310 -0.414 2.440 746 3HG2 ILE 97 3HG2 ILE 97 -3.264 1.327 2.657 747 1HD1 ILE 97 1HD1 ILE 97 -4.126 -2.266 2.955 748 2HD1 ILE 97 3HD1 ILE 97 -4.868 -3.178 4.280 749 3HD1 ILE 97 2HD1 ILE 97 -5.838 -2.036 3.364 750 H GLN 98 HN GLN 98 -6.039 2.798 4.122 751 HA GLN 98 HA GLN 98 -4.501 5.162 4.252 752 1HB GLN 98 HB2 GLN 98 -4.354 5.674 1.923 753 2HB GLN 98 HB1 GLN 98 -3.726 4.059 2.129 754 1HG GLN 98 HG2 GLN 98 -6.225 4.974 0.757 755 2HG GLN 98 HG1 GLN 98 -4.935 3.935 0.164 756 1HE2 GLN 98 1HE2 GLN 98 -4.777 2.052 1.476 757 2HE2 GLN 98 2HE2 GLN 98 -6.203 1.044 1.681 758 H SER 99 HN SER 99 -6.146 6.807 2.656 759 HA SER 99 HA SER 99 -8.751 5.738 2.871 760 1HB SER 99 HB2 SER 99 -8.014 8.455 4.024 761 2HB SER 99 HB1 SER 99 -9.664 7.838 3.877 762 HG SER 99 HG SER 99 -8.194 5.998 5.070 763 H PHE 100 HN PHE 100 -9.808 6.171 0.922 764 HA PHE 100 HA PHE 100 -8.546 8.070 -0.885 765 1HB PHE 100 HB2 PHE 100 -10.757 6.062 -1.396 766 2HB PHE 100 HB1 PHE 100 -10.119 7.161 -2.604 767 HD1 PHE 100 HD1 PHE 100 -7.747 6.906 -3.336 768 HD2 PHE 100 HD2 PHE 100 -9.705 4.043 -0.881 769 HE1 PHE 100 HE1 PHE 100 -6.066 5.223 -3.960 770 HE2 PHE 100 HE2 PHE 100 -8.025 2.365 -1.495 771 HZ PHE 100 HZ PHE 100 -6.205 2.955 -3.038 772 H PHE 101 HN PHE 101 -11.975 7.318 -0.627 773 HA PHE 101 HA PHE 101 -12.520 10.189 -0.580 774 1HB PHE 101 HB2 PHE 101 -14.045 7.865 -1.707 775 2HB PHE 101 HB1 PHE 101 -14.850 9.375 -1.329 776 HD1 PHE 101 HD1 PHE 101 -12.327 7.762 -3.473 777 HD2 PHE 101 HD2 PHE 101 -14.662 11.222 -2.728 778 HE1 PHE 101 HE1 PHE 101 -11.762 8.614 -5.715 779 HE2 PHE 101 HE2 PHE 101 -14.093 12.102 -4.963 780 HZ PHE 101 HZ PHE 101 -12.646 10.791 -6.459 781 H GLN 102 HN GLN 102 -14.516 10.818 0.529 782 HA GLN 102 HA GLN 102 -15.448 9.036 2.581 783 1HB GLN 102 HB2 GLN 102 -13.959 11.005 3.291 784 2HB GLN 102 HB1 GLN 102 -15.211 12.069 2.680 785 1HG GLN 102 HG2 GLN 102 -16.762 10.806 4.113 786 2HG GLN 102 HG1 GLN 102 -15.330 10.098 4.847 787 1HE2 GLN 102 1HE2 GLN 102 -13.929 11.372 6.012 788 2HE2 GLN 102 2HE2 GLN 102 -14.355 12.949 6.576 789 H ILE 103 HN ILE 103 -17.623 8.714 2.123 790 HA ILE 103 HA ILE 103 -19.032 10.628 0.368 791 HB ILE 103 HB ILE 103 -19.852 8.880 -1.168 792 1HG1 ILE 103 2HG1 ILE 103 -18.369 6.879 0.558 793 2HG1 ILE 103 1HG1 ILE 103 -20.101 7.149 0.650 794 1HG2 ILE 103 1HG2 ILE 103 -17.586 9.732 -1.621 795 2HG2 ILE 103 3HG2 ILE 103 -16.924 8.370 -0.722 796 3HG2 ILE 103 2HG2 ILE 103 -17.843 8.084 -2.195 797 1HD1 ILE 103 2HD1 ILE 103 -18.609 6.205 -1.776 798 2HD1 ILE 103 1HD1 ILE 103 -19.588 5.196 -0.692 799 3HD1 ILE 103 3HD1 ILE 103 -20.351 6.471 -1.646 800 H ASP 104 HN ASP 104 -21.433 10.454 0.489 801 HA ASP 104 HA ASP 104 -22.241 9.737 3.110 802 1HB ASP 104 HB2 ASP 104 -23.593 10.946 0.769 803 2HB ASP 104 HB1 ASP 104 -24.600 10.212 2.021 804 H LEU 105 HN LEU 105 -22.420 7.718 3.682 805 HA LEU 105 HA LEU 105 -23.287 5.653 1.890 806 1HB LEU 105 HB2 LEU 105 -23.191 5.649 4.901 807 2HB LEU 105 HB1 LEU 105 -23.520 4.266 3.896 808 HG LEU 105 HG LEU 105 -20.931 5.663 4.395 809 1HD1 LEU 105 2HD1 LEU 105 -21.907 2.843 4.397 810 2HD1 LEU 105 1HD1 LEU 105 -20.251 3.325 4.811 811 3HD1 LEU 105 3HD1 LEU 105 -21.619 3.831 5.821 812 1HD2 LEU 105 3HD2 LEU 105 -21.129 5.488 1.946 813 2HD2 LEU 105 2HD2 LEU 105 -19.926 4.360 2.579 814 3HD2 LEU 105 1HD2 LEU 105 -21.521 3.779 2.117 815 H GLU 106 HN GLU 106 -24.827 7.836 4.081 816 HA GLU 106 HA GLU 106 -27.325 6.537 3.992 817 1HB GLU 106 HB2 GLU 106 -28.252 8.749 4.699 818 2HB GLU 106 HB1 GLU 106 -26.955 8.112 5.707 819 1HG GLU 106 HG2 GLU 106 -25.394 9.632 4.815 820 2HG GLU 106 HG1 GLU 106 -26.510 10.154 3.555 821 H ARG 107 HN ARG 107 -25.620 8.444 1.644 822 HA ARG 107 HA ARG 107 -28.059 8.848 0.143 823 1HB ARG 107 HB2 ARG 107 -26.920 10.332 -1.179 824 2HB ARG 107 HB1 ARG 107 -25.912 10.414 0.258 825 1HG ARG 107 HG2 ARG 107 -24.338 8.887 -0.745 826 2HG ARG 107 HG1 ARG 107 -25.403 8.765 -2.152 827 1HD ARG 107 HD2 ARG 107 -23.916 11.264 -1.233 828 2HD ARG 107 HD1 ARG 107 -23.596 10.303 -2.654 829 HE ARG 107 HE ARG 107 -26.257 11.181 -2.629 830 1HH1 ARG 107 1HH1 ARG 107 -23.026 12.521 -3.084 831 2HH1 ARG 107 2HH1 ARG 107 -23.448 13.542 -4.375 832 1HH2 ARG 107 1HH2 ARG 107 -26.881 12.646 -4.420 833 2HH2 ARG 107 2HH2 ARG 107 -25.704 13.635 -5.133 834 H LEU 108 HN LEU 108 -25.653 6.585 0.568 835 HA LEU 108 HA LEU 108 -25.909 5.082 -1.824 836 1HB LEU 108 HB2 LEU 108 -24.936 4.447 0.892 837 2HB LEU 108 HB1 LEU 108 -25.643 3.082 0.054 838 HG LEU 108 HG LEU 108 -24.140 3.533 -1.791 839 1HD1 LEU 108 3HD1 LEU 108 -23.540 5.901 -0.970 840 2HD1 LEU 108 2HD1 LEU 108 -22.563 4.964 0.215 841 3HD1 LEU 108 1HD1 LEU 108 -22.176 4.843 -1.477 842 1HD2 LEU 108 1HD2 LEU 108 -23.776 1.926 0.090 843 2HD2 LEU 108 3HD2 LEU 108 -22.469 2.259 -1.030 844 3HD2 LEU 108 2HD2 LEU 108 -22.455 3.026 0.554 845 H GLU 109 HN GLU 109 -27.005 2.998 -2.015 846 HA GLU 109 HA GLU 109 -29.798 3.335 -1.848 847 1HB GLU 109 HB2 GLU 109 -28.365 0.724 -2.144 848 2HB GLU 109 HB1 GLU 109 -29.979 1.122 -2.712 849 1HG GLU 109 HG2 GLU 109 -29.028 2.574 -4.382 850 2HG GLU 109 HG1 GLU 109 -27.404 2.262 -3.753 851 H SER 110 HN SER 110 -28.119 0.512 -0.480 852 HA SER 110 HA SER 110 -29.007 1.023 2.148 853 1HB SER 110 HB2 SER 110 -30.444 -1.119 2.197 854 2HB SER 110 HB1 SER 110 -31.154 0.334 1.495 855 HG SER 110 HG SER 110 -31.377 -0.717 -0.267 856 H HIS 111 HN HIS 111 -28.528 -2.005 0.354 857 HA HIS 111 HA HIS 111 -26.913 -2.873 2.560 858 1HB HIS 111 HB2 HIS 111 -28.652 -4.321 1.433 859 2HB HIS 111 HB1 HIS 111 -27.516 -4.483 0.103 860 HD1 HIS 111 HD1 HIS 111 -26.281 -6.657 0.256 861 HD2 HIS 111 HD2 HIS 111 -27.156 -5.079 3.995 862 HE1 HIS 111 HE1 HIS 111 -25.355 -8.274 1.936 863 H MET 112 HN MET 112 -26.162 -1.669 -0.572 864 HA MET 112 HA MET 112 -23.675 -2.909 -0.779 865 1HB MET 112 HB2 MET 112 -22.923 -1.057 -2.252 866 2HB MET 112 HB1 MET 112 -24.421 -1.819 -2.780 867 1HG MET 112 HG2 MET 112 -25.640 0.108 -1.952 868 2HG MET 112 HG1 MET 112 -24.142 0.765 -1.305 869 1HE MET 112 HE1 MET 112 -22.028 1.362 -2.850 870 2HE MET 112 HE3 MET 112 -22.129 -0.134 -3.769 871 3HE MET 112 HE2 MET 112 -22.071 1.408 -4.605 872 H GLN 113 HN GLN 113 -24.400 0.158 0.897 873 HA GLN 113 HA GLN 113 -21.770 0.613 1.686 874 1HB GLN 113 HB2 GLN 113 -23.046 1.547 3.844 875 2HB GLN 113 HB1 GLN 113 -22.893 2.502 2.363 876 1HG GLN 113 HG2 GLN 113 -25.057 2.402 2.052 877 2HG GLN 113 HG1 GLN 113 -25.077 0.707 2.470 878 1HE2 GLN 113 1HE2 GLN 113 -25.426 3.919 3.573 879 2HE2 GLN 113 2HE2 GLN 113 -25.907 3.603 5.186 880 H LYS 114 HN LYS 114 -24.338 -1.311 3.002 881 HA LYS 114 HA LYS 114 -23.143 -1.928 5.464 882 1HB LYS 114 HB2 LYS 114 -25.250 -3.493 3.981 883 2HB LYS 114 HB1 LYS 114 -24.841 -3.677 5.684 884 1HG LYS 114 HG2 LYS 114 -25.451 -1.316 6.054 885 2HG LYS 114 HG1 LYS 114 -25.956 -1.218 4.371 886 1HD LYS 114 HD2 LYS 114 -27.579 -3.045 4.833 887 2HD LYS 114 HD1 LYS 114 -27.062 -2.930 6.531 888 1HE LYS 114 HE2 LYS 114 -27.777 -0.612 6.630 889 2HE LYS 114 HE1 LYS 114 -28.250 -0.660 4.937 890 1HZ LYS 114 HZ1 LYS 114 -29.480 -2.243 7.124 891 2HZ LYS 114 HZ3 LYS 114 -30.144 -0.877 6.423 892 3HZ LYS 114 HZ2 LYS 114 -29.979 -2.274 5.508 893 H ASN 115 HN ASN 115 -22.810 -3.398 2.317 894 HA ASN 115 HA ASN 115 -21.354 -5.650 3.255 895 1HB ASN 115 HB2 ASN 115 -21.408 -4.343 0.543 896 2HB ASN 115 HB1 ASN 115 -20.366 -5.716 0.900 897 1HD2 ASN 115 1HD2 ASN 115 -22.385 -5.655 -1.007 898 2HD2 ASN 115 2HD2 ASN 115 -23.585 -6.804 -0.539 899 H LEU 116 HN LEU 116 -20.518 -2.454 2.298 900 HA LEU 116 HA LEU 116 -17.699 -2.783 2.411 901 1HB LEU 116 HB2 LEU 116 -19.265 -0.248 2.841 902 2HB LEU 116 HB1 LEU 116 -17.610 -0.444 2.274 903 HG LEU 116 HG LEU 116 -20.011 -1.342 0.674 904 1HD1 LEU 116 3HD1 LEU 116 -19.998 1.114 1.105 905 2HD1 LEU 116 2HD1 LEU 116 -18.428 1.165 0.315 906 3HD1 LEU 116 1HD1 LEU 116 -19.834 0.636 -0.588 907 1HD2 LEU 116 3HD2 LEU 116 -17.127 -0.876 -0.070 908 2HD2 LEU 116 2HD2 LEU 116 -17.903 -2.452 0.113 909 3HD2 LEU 116 1HD2 LEU 116 -18.425 -1.352 -1.167 910 H LEU 117 HN LEU 117 -20.217 -2.000 4.720 911 HA LEU 117 HA LEU 117 -18.685 -1.145 6.888 912 1HB LEU 117 HB2 LEU 117 -21.289 -2.662 6.973 913 2HB LEU 117 HB1 LEU 117 -20.588 -1.769 8.301 914 HG LEU 117 HG LEU 117 -21.696 -0.640 5.741 915 1HD1 LEU 117 3HD1 LEU 117 -23.398 -1.357 7.370 916 2HD1 LEU 117 2HD1 LEU 117 -22.626 -0.346 8.588 917 3HD1 LEU 117 1HD1 LEU 117 -23.363 0.395 7.174 918 1HD2 LEU 117 2HD2 LEU 117 -20.366 0.769 8.040 919 2HD2 LEU 117 1HD2 LEU 117 -19.796 0.631 6.368 920 3HD2 LEU 117 3HD2 LEU 117 -21.256 1.556 6.723 921 H LYS 118 HN LYS 118 -19.814 -4.475 6.103 922 HA LYS 118 HA LYS 118 -18.345 -5.443 8.403 923 1HB LYS 118 HB2 LYS 118 -19.266 -7.573 8.114 924 2HB LYS 118 HB1 LYS 118 -20.559 -6.502 7.618 925 1HG LYS 118 HG2 LYS 118 -18.730 -7.562 5.545 926 2HG LYS 118 HG1 LYS 118 -19.890 -8.664 6.274 927 1HD LYS 118 HD2 LYS 118 -20.629 -6.024 5.056 928 2HD LYS 118 HD1 LYS 118 -20.602 -7.523 4.117 929 1HE LYS 118 HE2 LYS 118 -22.266 -8.482 5.682 930 2HE LYS 118 HE1 LYS 118 -22.313 -6.949 6.548 931 1HZ LYS 118 HZ1 LYS 118 -23.120 -5.892 4.541 932 2HZ LYS 118 HZ3 LYS 118 -23.108 -7.357 3.697 933 3HZ LYS 118 HZ2 LYS 118 -24.150 -7.141 5.000 934 H GLY 119 HN GLY 119 -17.780 -4.933 5.087 935 1HA GLY 119 HA1 GLY 119 -15.161 -6.063 5.502 936 2HA GLY 119 HA2 GLY 119 -15.601 -4.846 4.305 937 H ILE 120 HN ILE 120 -15.300 -5.673 2.440 938 HA ILE 120 HA ILE 120 -16.804 -7.907 1.482 939 HB ILE 120 HB ILE 120 -14.423 -6.627 0.077 940 1HG1 ILE 120 2HG1 ILE 120 -15.856 -4.786 0.768 941 2HG1 ILE 120 1HG1 ILE 120 -16.039 -5.045 -0.963 942 1HG2 ILE 120 1HG2 ILE 120 -15.377 -8.655 -0.967 943 2HG2 ILE 120 3HG2 ILE 120 -16.962 -7.870 -0.992 944 3HG2 ILE 120 2HG2 ILE 120 -15.647 -7.219 -1.961 945 1HD1 ILE 120 3HD1 ILE 120 -18.106 -6.325 -0.481 946 2HD1 ILE 120 2HD1 ILE 120 -17.905 -5.879 1.221 947 3HD1 ILE 120 1HD1 ILE 120 -18.192 -4.621 0.020 948 HA PRO 121 HA PRO 121 -13.950 -10.883 3.030 949 1HB PRO 121 HB2 PRO 121 -14.767 -13.074 1.661 950 2HB PRO 121 HB1 PRO 121 -15.664 -12.372 3.012 951 1HG PRO 121 HG2 PRO 121 -16.111 -12.024 0.069 952 2HG PRO 121 HG1 PRO 121 -17.300 -12.307 1.356 953 1HD PRO 121 HD2 PRO 121 -16.848 -9.861 0.330 954 2HD PRO 121 HD1 PRO 121 -17.283 -10.110 2.034 955 H PHE 122 HN PHE 122 -13.946 -10.029 -0.225 956 HA PHE 122 HA PHE 122 -11.238 -10.943 -0.653 957 1HB PHE 122 HB2 PHE 122 -12.481 -13.058 -0.881 958 2HB PHE 122 HB1 PHE 122 -13.476 -12.340 -2.131 959 HD1 PHE 122 HD1 PHE 122 -12.688 -12.234 -4.395 960 HD2 PHE 122 HD2 PHE 122 -10.117 -13.566 -1.281 961 HE1 PHE 122 HE1 PHE 122 -11.114 -13.095 -6.070 962 HE2 PHE 122 HE2 PHE 122 -8.540 -14.421 -2.951 963 HZ PHE 122 HZ PHE 122 -9.035 -14.192 -5.348 964 H ARG 123 HN ARG 123 -10.322 -10.024 -2.555 965 HA ARG 123 HA ARG 123 -12.053 -8.682 -4.428 966 1HB ARG 123 HB2 ARG 123 -9.895 -7.272 -2.837 967 2HB ARG 123 HB1 ARG 123 -10.498 -6.680 -4.362 968 1HG ARG 123 HG2 ARG 123 -12.212 -7.065 -1.914 969 2HG ARG 123 HG1 ARG 123 -11.421 -5.552 -2.338 970 1HD ARG 123 HD2 ARG 123 -13.649 -5.356 -3.114 971 2HD ARG 123 HD1 ARG 123 -12.678 -5.669 -4.546 972 HE ARG 123 HE ARG 123 -13.740 -8.062 -3.445 973 1HH1 ARG 123 1HH1 ARG 123 -14.642 -5.274 -5.507 974 2HH1 ARG 123 2HH1 ARG 123 -15.993 -6.065 -6.140 975 1HH2 ARG 123 1HH2 ARG 123 -15.639 -9.092 -4.397 976 2HH2 ARG 123 2HH2 ARG 123 -16.568 -8.249 -5.528 977 H THR 124 HN THR 124 -10.833 -8.035 -6.293 978 HA THR 124 HA THR 124 -8.152 -9.077 -6.577 979 HB THR 124 HB THR 124 -10.284 -9.385 -8.756 980 HG1 THR 124 HG1 THR 124 -10.979 -10.973 -7.661 981 1HG2 THR 124 1HG2 THR 124 -7.950 -9.371 -9.517 982 2HG2 THR 124 3HG2 THR 124 -7.582 -10.701 -8.415 983 3HG2 THR 124 2HG2 THR 124 -8.703 -10.947 -9.750 984 H LYS 125 HN LYS 125 -7.357 -7.896 -8.815 985 HA LYS 125 HA LYS 125 -7.363 -5.227 -8.040 986 1HB LYS 125 HB2 LYS 125 -5.972 -4.843 -10.012 987 2HB LYS 125 HB1 LYS 125 -5.453 -6.220 -9.072 988 1HG LYS 125 HG2 LYS 125 -6.566 -7.737 -10.674 989 2HG LYS 125 HG1 LYS 125 -7.011 -6.339 -11.648 990 1HD LYS 125 HD2 LYS 125 -4.206 -7.187 -10.966 991 2HD LYS 125 HD1 LYS 125 -5.018 -7.475 -12.506 992 1HE LYS 125 HE2 LYS 125 -5.203 -5.080 -12.865 993 2HE LYS 125 HE1 LYS 125 -4.426 -4.761 -11.318 994 1HZ LYS 125 HZ1 LYS 125 -2.436 -5.879 -12.193 995 2HZ LYS 125 HZ3 LYS 125 -3.207 -6.074 -13.687 996 3HZ LYS 125 HZ2 LYS 125 -2.874 -4.534 -13.080 997 H ALA 126 HN ALA 126 -9.174 -6.815 -10.698 998 HA ALA 126 HA ALA 126 -9.921 -4.257 -11.716 999 1HB ALA 126 HB3 ALA 126 -10.945 -6.988 -12.438 1000 2HB ALA 126 HB2 ALA 126 -11.137 -5.507 -13.391 1001 3HB ALA 126 HB1 ALA 126 -9.531 -6.214 -13.152 1002 H GLU 127 HN GLU 127 -10.971 -6.493 -9.457 1003 HA GLU 127 HA GLU 127 -13.745 -5.738 -9.469 1004 1HB GLU 127 HB2 GLU 127 -12.266 -7.325 -7.380 1005 2HB GLU 127 HB1 GLU 127 -14.000 -7.302 -7.683 1006 1HG GLU 127 HG2 GLU 127 -13.388 -8.161 -10.041 1007 2HG GLU 127 HG1 GLU 127 -11.833 -8.426 -9.361 1008 H PHE 128 HN PHE 128 -10.825 -4.901 -7.769 1009 HA PHE 128 HA PHE 128 -11.981 -3.402 -5.673 1010 1HB PHE 128 HB2 PHE 128 -9.669 -4.020 -5.494 1011 2HB PHE 128 HB1 PHE 128 -9.291 -3.315 -7.062 1012 HD1 PHE 128 HD1 PHE 128 -10.002 -2.614 -3.556 1013 HD2 PHE 128 HD2 PHE 128 -8.983 -0.984 -7.323 1014 HE1 PHE 128 HE1 PHE 128 -9.425 -0.477 -2.469 1015 HE2 PHE 128 HE2 PHE 128 -8.385 1.157 -6.259 1016 HZ PHE 128 HZ PHE 128 -8.612 1.407 -3.825 1017 H GLU 129 HN GLU 129 -10.683 -2.408 -8.834 1018 HA GLU 129 HA GLU 129 -11.513 0.234 -8.469 1019 1HB GLU 129 HB2 GLU 129 -11.141 0.417 -10.972 1020 2HB GLU 129 HB1 GLU 129 -9.767 -0.075 -10.001 1021 1HG GLU 129 HG2 GLU 129 -10.038 -2.340 -10.637 1022 2HG GLU 129 HG1 GLU 129 -11.545 -1.979 -11.471 1023 H ASP 130 HN ASP 130 -13.173 -2.563 -9.575 1024 HA ASP 130 HA ASP 130 -15.352 -1.321 -10.914 1025 1HB ASP 130 HB2 ASP 130 -14.857 -3.726 -11.043 1026 2HB ASP 130 HB1 ASP 130 -15.263 -3.893 -9.358 1027 H VAL 131 HN VAL 131 -14.894 -2.332 -7.628 1028 HA VAL 131 HA VAL 131 -17.433 -1.242 -6.820 1029 HB VAL 131 HB VAL 131 -16.618 -3.188 -5.545 1030 1HG1 VAL 131 2HG1 VAL 131 -14.263 -2.843 -5.837 1031 2HG1 VAL 131 1HG1 VAL 131 -14.311 -1.501 -4.701 1032 3HG1 VAL 131 3HG1 VAL 131 -14.683 -3.136 -4.144 1033 1HG2 VAL 131 2HG2 VAL 131 -16.533 -0.729 -3.843 1034 2HG2 VAL 131 1HG2 VAL 131 -17.997 -1.629 -4.283 1035 3HG2 VAL 131 3HG2 VAL 131 -16.752 -2.382 -3.268 1036 H ILE 132 HN ILE 132 -14.111 -0.179 -6.716 1037 HA ILE 132 HA ILE 132 -14.583 2.112 -5.164 1038 HB ILE 132 HB ILE 132 -12.320 0.916 -6.523 1039 1HG1 ILE 132 2HG1 ILE 132 -11.095 1.805 -4.597 1040 2HG1 ILE 132 1HG1 ILE 132 -12.504 2.761 -4.149 1041 1HG2 ILE 132 3HG2 ILE 132 -12.283 2.884 -7.912 1042 2HG2 ILE 132 2HG2 ILE 132 -12.337 3.918 -6.488 1043 3HG2 ILE 132 1HG2 ILE 132 -10.923 2.904 -6.785 1044 1HD1 ILE 132 3HD1 ILE 132 -12.356 -0.243 -4.240 1045 2HD1 ILE 132 2HD1 ILE 132 -12.313 0.757 -2.782 1046 3HD1 ILE 132 1HD1 ILE 132 -13.766 0.706 -3.782 1047 H GLU 133 HN GLU 133 -14.755 1.609 -8.614 1048 HA GLU 133 HA GLU 133 -15.078 4.342 -9.243 1049 1HB GLU 133 HB2 GLU 133 -15.834 3.587 -11.451 1050 2HB GLU 133 HB1 GLU 133 -14.464 2.627 -10.926 1051 1HG GLU 133 HG2 GLU 133 -15.918 0.814 -10.316 1052 2HG GLU 133 HG1 GLU 133 -17.309 1.807 -10.763 1053 H HIS 134 HN HIS 134 -17.173 1.966 -7.943 1054 HA HIS 134 HA HIS 134 -19.564 3.442 -8.558 1055 1HB HIS 134 HB2 HIS 134 -19.183 0.815 -8.159 1056 2HB HIS 134 HB1 HIS 134 -19.557 1.281 -6.507 1057 HD1 HIS 134 HD1 HIS 134 -21.147 0.483 -9.706 1058 HD2 HIS 134 HD2 HIS 134 -22.164 2.557 -6.261 1059 HE1 HIS 134 HE1 HIS 134 -23.668 0.660 -9.708 1060 H MET 135 HN MET 135 -17.236 3.246 -6.040 1061 HA MET 135 HA MET 135 -18.741 4.587 -3.989 1062 1HB MET 135 HB2 MET 135 -15.754 4.448 -4.395 1063 2HB MET 135 HB1 MET 135 -16.551 4.970 -2.928 1064 1HG MET 135 HG2 MET 135 -16.626 2.181 -4.083 1065 2HG MET 135 HG1 MET 135 -15.551 2.714 -2.803 1066 1HE MET 135 HE3 MET 135 -18.925 1.202 -3.739 1067 2HE MET 135 HE2 MET 135 -19.999 1.637 -2.421 1068 3HE MET 135 HE1 MET 135 -19.525 2.854 -3.607 1069 H LYS 136 HN LYS 136 -16.355 5.606 -6.385 1070 HA LYS 136 HA LYS 136 -16.341 8.292 -5.579 1071 1HB LYS 136 HB2 LYS 136 -15.054 8.781 -7.621 1072 2HB LYS 136 HB1 LYS 136 -14.411 7.442 -6.684 1073 1HG LYS 136 HG2 LYS 136 -15.543 5.903 -8.237 1074 2HG LYS 136 HG1 LYS 136 -16.008 7.287 -9.218 1075 1HD LYS 136 HD2 LYS 136 -13.987 6.229 -10.135 1076 2HD LYS 136 HD1 LYS 136 -13.637 7.857 -9.557 1077 1HE LYS 136 HE2 LYS 136 -12.638 6.984 -7.544 1078 2HE LYS 136 HE1 LYS 136 -13.133 5.345 -7.959 1079 1HZ LYS 136 HZ1 LYS 136 -11.204 7.024 -9.469 1080 2HZ LYS 136 HZ3 LYS 136 -10.786 5.765 -8.433 1081 3HZ LYS 136 HZ2 LYS 136 -11.626 5.452 -9.866 1082 H THR 137 HN THR 137 -18.571 6.628 -7.569 1083 HA THR 137 HA THR 137 -19.454 8.886 -9.023 1084 HB THR 137 HB THR 137 -20.024 6.475 -9.641 1085 HG1 THR 137 HG1 THR 137 -21.200 8.187 -10.596 1086 1HG2 THR 137 2HG2 THR 137 -22.078 6.788 -7.456 1087 2HG2 THR 137 1HG2 THR 137 -22.026 5.471 -8.631 1088 3HG2 THR 137 3HG2 THR 137 -20.723 5.663 -7.463 1089 H TYR 138 HN TYR 138 -19.900 7.873 -5.720 1090 HA TYR 138 HA TYR 138 -22.153 9.632 -5.306 1091 1HB TYR 138 HB2 TYR 138 -20.462 7.979 -3.415 1092 2HB TYR 138 HB1 TYR 138 -21.832 8.955 -2.911 1093 HD1 TYR 138 HD1 TYR 138 -20.774 5.850 -4.532 1094 HD2 TYR 138 HD2 TYR 138 -24.067 8.302 -3.519 1095 HE1 TYR 138 HE1 TYR 138 -22.276 3.951 -4.901 1096 HE2 TYR 138 HE2 TYR 138 -25.621 6.398 -3.908 1097 HH TYR 138 HH TYR 138 -24.482 3.166 -4.309 1098 H SER 139 HN SER 139 -18.846 9.242 -4.146 1099 HA SER 139 HA SER 139 -17.279 10.591 -3.373 1100 1HB SER 139 HB2 SER 139 -16.788 12.564 -4.813 1101 2HB SER 139 HB1 SER 139 -16.974 11.037 -5.660 1102 HG SER 139 HG SER 139 -19.352 12.283 -5.483 1103 H GLY 140 HN GLY 140 -20.059 11.125 -2.108 1104 1HA GLY 140 HA1 GLY 140 -19.614 13.816 -1.238 1105 2HA GLY 140 HA2 GLY 140 -19.569 12.506 -0.049 No H/Q in entry = 1105 Start of MODEL 19 1 H1 ALA 1 HT3 ALA 1 34.699 4.356 11.775 2 H2 ALA 1 HT2 ALA 1 35.677 2.971 11.827 3 H3 ALA 1 HT1 ALA 1 36.352 4.536 11.909 4 HA ALA 1 HA ALA 1 36.709 3.773 9.745 5 1HB ALA 1 HB1 ALA 1 34.949 2.083 9.650 6 2HB ALA 1 HB2 ALA 1 34.793 3.204 8.296 7 3HB ALA 1 HB3 ALA 1 33.719 3.344 9.686 8 H GLU 2 HN GLU 2 37.065 5.487 8.470 9 HA GLU 2 HA GLU 2 35.141 7.562 8.177 10 1HB GLU 2 HB2 GLU 2 36.269 8.248 10.286 11 2HB GLU 2 HB1 GLU 2 37.828 8.125 9.492 12 1HG GLU 2 HG2 GLU 2 37.055 10.450 9.735 13 2HG GLU 2 HG1 GLU 2 37.286 9.993 8.052 14 H VAL 3 HN VAL 3 35.835 8.981 6.456 15 HA VAL 3 HA VAL 3 36.488 9.302 4.348 16 HB VAL 3 HB VAL 3 38.939 7.565 4.914 17 1HG1 VAL 3 1HG1 VAL 3 38.572 9.822 2.951 18 2HG1 VAL 3 3HG1 VAL 3 40.120 9.102 3.360 19 3HG1 VAL 3 2HG1 VAL 3 38.900 8.115 2.583 20 1HG2 VAL 3 3HG2 VAL 3 38.625 9.222 6.660 21 2HG2 VAL 3 2HG2 VAL 3 40.114 9.526 5.738 22 3HG2 VAL 3 1HG2 VAL 3 38.659 10.503 5.463 23 H GLU 4 HN GLU 4 37.294 7.780 2.350 24 HA GLU 4 HA GLU 4 35.303 5.712 2.314 25 1HB GLU 4 HB2 GLU 4 35.803 5.682 -0.153 26 2HB GLU 4 HB1 GLU 4 35.239 7.220 0.502 27 1HG GLU 4 HG2 GLU 4 37.441 8.142 0.435 28 2HG GLU 4 HG1 GLU 4 38.127 6.585 -0.022 29 H HIS 5 HN HIS 5 36.004 3.881 3.209 30 HA HIS 5 HA HIS 5 38.726 2.994 2.712 31 1HB HIS 5 HB2 HIS 5 36.584 1.544 4.296 32 2HB HIS 5 HB1 HIS 5 38.243 1.066 4.143 33 HD1 HIS 5 HD1 HIS 5 39.999 3.136 5.070 34 HD2 HIS 5 HD2 HIS 5 36.153 2.815 6.614 35 HE1 HIS 5 HE1 HIS 5 40.051 4.250 7.308 36 H TYR 6 HN TYR 6 38.677 0.422 2.513 37 HA TYR 6 HA TYR 6 37.660 -0.120 -0.151 38 1HB TYR 6 HB2 TYR 6 39.386 -1.695 1.732 39 2HB TYR 6 HB1 TYR 6 39.163 -2.023 0.015 40 HD1 TYR 6 HD1 TYR 6 40.432 -0.799 -1.630 41 HD2 TYR 6 HD2 TYR 6 40.668 0.278 2.472 42 HE1 TYR 6 HE1 TYR 6 42.363 0.636 -2.131 43 HE2 TYR 6 HE2 TYR 6 42.618 1.714 1.983 44 HH TYR 6 HH TYR 6 43.474 2.612 -1.134 45 H GLU 7 HN GLU 7 36.802 -0.470 2.982 46 HA GLU 7 HA GLU 7 35.658 -3.082 3.026 47 1HB GLU 7 HB2 GLU 7 35.450 -0.755 4.924 48 2HB GLU 7 HB1 GLU 7 34.759 -2.342 5.233 49 1HG GLU 7 HG2 GLU 7 37.672 -1.722 4.819 50 2HG GLU 7 HG1 GLU 7 36.887 -2.113 6.353 51 HA PRO 8 HA PRO 8 31.736 -2.049 1.425 52 1HB PRO 8 HB2 PRO 8 30.217 -4.000 2.320 53 2HB PRO 8 HB1 PRO 8 31.502 -4.315 1.160 54 1HG PRO 8 HG2 PRO 8 31.482 -4.793 4.112 55 2HG PRO 8 HG1 PRO 8 32.168 -5.787 2.813 56 1HD PRO 8 HD2 PRO 8 33.627 -4.069 4.403 57 2HD PRO 8 HD1 PRO 8 34.115 -4.616 2.785 58 H LEU 9 HN LEU 9 29.403 -2.094 2.088 59 HA LEU 9 HA LEU 9 29.147 -0.397 4.491 60 1HB LEU 9 HB2 LEU 9 29.020 0.487 1.884 61 2HB LEU 9 HB1 LEU 9 27.413 -0.076 2.117 62 HG LEU 9 HG LEU 9 27.595 2.355 2.453 63 1HD1 LEU 9 3HD1 LEU 9 26.699 0.778 4.832 64 2HD1 LEU 9 2HD1 LEU 9 26.341 2.487 4.580 65 3HD1 LEU 9 1HD1 LEU 9 25.736 1.272 3.448 66 1HD2 LEU 9 1HD2 LEU 9 29.806 2.449 3.454 67 2HD2 LEU 9 3HD2 LEU 9 28.612 3.242 4.483 68 3HD2 LEU 9 2HD2 LEU 9 29.197 1.632 4.897 69 H GLN 10 HN GLN 10 27.858 -1.477 5.899 70 HA GLN 10 HA GLN 10 25.998 -3.495 5.102 71 1HB GLN 10 HB2 GLN 10 26.595 -2.119 7.689 72 2HB GLN 10 HB1 GLN 10 25.230 -3.209 7.539 73 1HG GLN 10 HG2 GLN 10 26.815 -4.976 6.915 74 2HG GLN 10 HG1 GLN 10 28.139 -3.835 7.165 75 1HE2 GLN 10 1HE2 GLN 10 27.427 -6.346 8.534 76 2HE2 GLN 10 2HE2 GLN 10 27.353 -5.945 10.208 77 H VAL 11 HN VAL 11 24.231 -2.988 4.106 78 HA VAL 11 HA VAL 11 22.782 -0.541 4.857 79 HB VAL 11 HB VAL 11 22.367 -2.128 2.366 80 1HG1 VAL 11 1HG1 VAL 11 20.611 -0.641 2.934 81 2HG1 VAL 11 3HG1 VAL 11 21.737 0.715 3.061 82 3HG1 VAL 11 2HG1 VAL 11 21.451 -0.058 1.497 83 1HG2 VAL 11 3HG2 VAL 11 24.296 0.166 2.671 84 2HG2 VAL 11 2HG2 VAL 11 24.686 -1.525 2.306 85 3HG2 VAL 11 1HG2 VAL 11 23.794 -0.562 1.138 86 H HIS 12 HN HIS 12 21.026 -0.994 5.997 87 HA HIS 12 HA HIS 12 19.592 -3.484 5.506 88 1HB HIS 12 HB2 HIS 12 20.057 -2.699 7.882 89 2HB HIS 12 HB1 HIS 12 19.050 -1.295 7.557 90 HD1 HIS 12 HD1 HIS 12 18.877 -4.639 8.971 91 HD2 HIS 12 HD2 HIS 12 16.250 -2.130 6.938 92 HE1 HIS 12 HE1 HIS 12 16.579 -5.481 9.474 93 H VAL 13 HN VAL 13 18.568 -3.176 3.690 94 HA VAL 13 HA VAL 13 17.197 -0.634 3.180 95 HB VAL 13 HB VAL 13 18.848 -1.166 1.485 96 1HG1 VAL 13 3HG1 VAL 13 18.871 -3.635 1.739 97 2HG1 VAL 13 2HG1 VAL 13 17.369 -3.652 0.790 98 3HG1 VAL 13 1HG1 VAL 13 18.845 -3.054 0.065 99 1HG2 VAL 13 3HG2 VAL 13 16.862 -0.022 0.727 100 2HG2 VAL 13 2HG2 VAL 13 17.466 -1.124 -0.525 101 3HG2 VAL 13 1HG2 VAL 13 16.072 -1.582 0.455 102 H GLN 14 HN GLN 14 15.292 -0.432 3.356 103 HA GLN 14 HA GLN 14 13.587 -2.756 3.773 104 1HB GLN 14 HB2 GLN 14 13.859 -0.841 5.475 105 2HB GLN 14 HB1 GLN 14 13.005 0.167 4.330 106 1HG GLN 14 HG2 GLN 14 11.823 -2.358 5.467 107 2HG GLN 14 HG1 GLN 14 11.678 -0.803 6.266 108 1HE2 GLN 14 1HE2 GLN 14 10.257 0.698 5.453 109 2HE2 GLN 14 2HE2 GLN 14 9.139 0.310 4.192 110 H LEU 15 HN LEU 15 12.146 -3.232 2.276 111 HA LEU 15 HA LEU 15 11.833 -1.358 0.026 112 1HB LEU 15 HB2 LEU 15 11.796 -4.345 -0.016 113 2HB LEU 15 HB1 LEU 15 11.363 -3.347 -1.361 114 HG LEU 15 HG LEU 15 13.370 -3.963 -1.913 115 1HD1 LEU 15 3HD1 LEU 15 13.442 -1.605 -2.067 116 2HD1 LEU 15 2HD1 LEU 15 13.998 -1.460 -0.398 117 3HD1 LEU 15 1HD1 LEU 15 15.050 -2.175 -1.619 118 1HD2 LEU 15 3HD2 LEU 15 14.350 -3.852 0.910 119 2HD2 LEU 15 2HD2 LEU 15 14.014 -5.259 -0.135 120 3HD2 LEU 15 1HD2 LEU 15 15.345 -4.191 -0.520 121 H GLU 16 HN GLU 16 9.886 -0.666 -0.333 122 HA GLU 16 HA GLU 16 7.637 -2.033 0.963 123 1HB GLU 16 HB2 GLU 16 7.786 0.726 -0.233 124 2HB GLU 16 HB1 GLU 16 6.376 0.035 0.540 125 1HG GLU 16 HG2 GLU 16 7.528 -0.048 2.643 126 2HG GLU 16 HG1 GLU 16 9.003 0.578 1.923 127 H LYS 17 HN LYS 17 6.448 -3.269 -0.248 128 HA LYS 17 HA LYS 17 6.307 -2.846 -3.150 129 1HB LYS 17 HB2 LYS 17 5.298 -5.040 -1.341 130 2HB LYS 17 HB1 LYS 17 4.762 -4.909 -2.997 131 1HG LYS 17 HG2 LYS 17 6.436 -6.602 -2.827 132 2HG LYS 17 HG1 LYS 17 7.095 -5.249 -3.743 133 1HD LYS 17 HD2 LYS 17 8.368 -4.558 -1.776 134 2HD LYS 17 HD1 LYS 17 7.639 -5.859 -0.834 135 1HE LYS 17 HE2 LYS 17 9.281 -6.285 -3.326 136 2HE LYS 17 HE1 LYS 17 9.946 -6.391 -1.710 137 1HZ LYS 17 HZ3 LYS 17 8.375 -8.241 -1.275 138 2HZ LYS 17 HZ2 LYS 17 7.800 -8.148 -2.846 139 3HZ LYS 17 HZ1 LYS 17 9.378 -8.603 -2.563 140 H VAL 18 HN VAL 18 4.879 -1.213 -3.605 141 HA VAL 18 HA VAL 18 2.712 -0.794 -1.743 142 HB VAL 18 HB VAL 18 3.451 0.929 -4.157 143 1HG1 VAL 18 2HG1 VAL 18 1.157 1.217 -3.455 144 2HG1 VAL 18 1HG1 VAL 18 1.703 1.552 -1.810 145 3HG1 VAL 18 3HG1 VAL 18 2.137 2.644 -3.126 146 1HG2 VAL 18 1HG2 VAL 18 4.172 1.265 -1.246 147 2HG2 VAL 18 3HG2 VAL 18 5.281 0.827 -2.545 148 3HG2 VAL 18 2HG2 VAL 18 4.511 2.414 -2.540 149 H TYR 19 HN TYR 19 1.094 -2.131 -2.022 150 HA TYR 19 HA TYR 19 0.247 -2.962 -4.649 151 1HB TYR 19 HB2 TYR 19 -0.719 -3.610 -1.875 152 2HB TYR 19 HB1 TYR 19 -1.481 -4.233 -3.331 153 HD1 TYR 19 HD1 TYR 19 -0.535 -5.984 -4.541 154 HD2 TYR 19 HD2 TYR 19 1.645 -4.314 -1.303 155 HE1 TYR 19 HE1 TYR 19 1.001 -7.859 -4.626 156 HE2 TYR 19 HE2 TYR 19 3.203 -6.217 -1.386 157 HH TYR 19 HH TYR 19 3.227 -8.398 -4.027 158 H LEU 20 HN LEU 20 -1.980 -2.764 -5.354 159 HA LEU 20 HA LEU 20 -2.941 -0.106 -5.252 160 1HB LEU 20 HB2 LEU 20 -4.388 -2.618 -6.108 161 2HB LEU 20 HB1 LEU 20 -5.061 -1.020 -6.263 162 HG LEU 20 HG LEU 20 -3.118 -0.499 -7.800 163 1HD1 LEU 20 2HD1 LEU 20 -2.842 -3.481 -7.737 164 2HD1 LEU 20 1HD1 LEU 20 -2.065 -2.413 -8.915 165 3HD1 LEU 20 3HD1 LEU 20 -1.637 -2.312 -7.204 166 1HD2 LEU 20 3HD2 LEU 20 -5.100 -2.611 -8.598 167 2HD2 LEU 20 2HD2 LEU 20 -5.363 -0.865 -8.608 168 3HD2 LEU 20 1HD2 LEU 20 -4.193 -1.588 -9.712 169 H ASP 21 HN ASP 21 -3.750 -2.957 -3.595 170 HA ASP 21 HA ASP 21 -6.187 -2.320 -2.397 171 1HB ASP 21 HB2 ASP 21 -5.695 -4.543 -2.264 172 2HB ASP 21 HB1 ASP 21 -4.020 -4.259 -1.805 173 H GLY 22 HN GLY 22 -2.936 -1.617 -1.235 174 1HA GLY 22 HA1 GLY 22 -4.240 -0.235 1.000 175 2HA GLY 22 HA2 GLY 22 -2.928 0.509 0.116 176 H ASP 23 HN ASP 23 -3.123 -2.897 0.974 177 HA ASP 23 HA ASP 23 -1.287 -2.560 3.168 178 1HB ASP 23 HB2 ASP 23 -2.975 -4.358 3.297 179 2HB ASP 23 HB1 ASP 23 -2.336 -5.069 1.824 180 H VAL 24 HN VAL 24 0.887 -2.724 3.030 181 HA VAL 24 HA VAL 24 1.877 -3.527 0.402 182 HB VAL 24 HB VAL 24 3.611 -2.019 0.514 183 1HG1 VAL 24 2HG1 VAL 24 1.546 -0.946 -0.081 184 2HG1 VAL 24 1HG1 VAL 24 1.256 -0.516 1.595 185 3HG1 VAL 24 3HG1 VAL 24 2.629 0.193 0.732 186 1HG2 VAL 24 2HG2 VAL 24 2.944 -1.509 3.389 187 2HG2 VAL 24 1HG2 VAL 24 4.321 -2.382 2.686 188 3HG2 VAL 24 3HG2 VAL 24 4.193 -0.633 2.457 189 H SER 25 HN SER 25 3.854 -4.550 0.366 190 HA SER 25 HA SER 25 4.337 -6.105 2.781 191 1HB SER 25 HB2 SER 25 5.254 -6.487 -0.038 192 2HB SER 25 HB1 SER 25 5.576 -7.611 1.296 193 HG SER 25 HG SER 25 3.005 -7.266 1.325 194 H ILE 26 HN ILE 26 6.077 -5.838 3.902 195 HA ILE 26 HA ILE 26 8.015 -3.809 3.081 196 HB ILE 26 HB ILE 26 7.288 -4.974 5.790 197 1HG1 ILE 26 2HG1 ILE 26 5.546 -3.528 4.949 198 2HG1 ILE 26 1HG1 ILE 26 6.384 -2.739 6.286 199 1HG2 ILE 26 2HG2 ILE 26 9.620 -4.374 5.763 200 2HG2 ILE 26 1HG2 ILE 26 9.199 -2.765 5.167 201 3HG2 ILE 26 3HG2 ILE 26 8.690 -3.265 6.780 202 1HD1 ILE 26 3HD1 ILE 26 7.647 -1.407 4.625 203 2HD1 ILE 26 2HD1 ILE 26 6.688 -2.186 3.357 204 3HD1 ILE 26 1HD1 ILE 26 5.897 -1.156 4.540 205 H GLU 27 HN GLU 27 10.029 -4.496 2.568 206 HA GLU 27 HA GLU 27 10.753 -7.277 3.240 207 1HB GLU 27 HB2 GLU 27 10.648 -6.338 0.772 208 2HB GLU 27 HB1 GLU 27 12.112 -5.504 1.313 209 1HG GLU 27 HG2 GLU 27 13.011 -7.323 0.285 210 2HG GLU 27 HG1 GLU 27 12.948 -7.818 1.965 211 H HIS 28 HN HIS 28 12.700 -7.548 4.209 212 HA HIS 28 HA HIS 28 14.245 -5.157 4.983 213 1HB HIS 28 HB2 HIS 28 13.671 -7.594 6.676 214 2HB HIS 28 HB1 HIS 28 14.902 -6.412 7.082 215 HD1 HIS 28 HD1 HIS 28 14.060 -4.949 8.920 216 HD2 HIS 28 HD2 HIS 28 11.116 -5.946 6.208 217 HE1 HIS 28 HE1 HIS 28 11.956 -3.874 9.797 218 H LYS 29 HN LYS 29 15.968 -5.221 3.923 219 HA LYS 29 HA LYS 29 17.266 -7.791 3.304 220 1HB LYS 29 HB2 LYS 29 17.084 -5.237 1.782 221 2HB LYS 29 HB1 LYS 29 18.016 -6.597 1.209 222 1HG LYS 29 HG2 LYS 29 15.057 -6.651 1.755 223 2HG LYS 29 HG1 LYS 29 15.765 -6.272 0.190 224 1HD LYS 29 HD2 LYS 29 16.374 -8.830 1.615 225 2HD LYS 29 HD1 LYS 29 14.947 -8.643 0.590 226 1HE LYS 29 HE2 LYS 29 16.381 -7.941 -1.246 227 2HE LYS 29 HE1 LYS 29 17.808 -8.209 -0.253 228 1HZ LYS 29 HZ3 LYS 29 17.107 -10.568 -0.058 229 2HZ LYS 29 HZ2 LYS 29 15.823 -10.236 -1.086 230 3HZ LYS 29 HZ1 LYS 29 17.390 -10.133 -1.670 231 H HIS 30 HN HIS 30 19.363 -7.904 3.804 232 HA HIS 30 HA HIS 30 20.738 -5.456 4.648 233 1HB HIS 30 HB2 HIS 30 22.029 -6.847 6.298 234 2HB HIS 30 HB1 HIS 30 20.318 -6.730 6.670 235 HD1 HIS 30 HD1 HIS 30 23.013 -9.233 6.200 236 HD2 HIS 30 HD2 HIS 30 18.862 -9.154 5.993 237 HE1 HIS 30 HE1 HIS 30 22.258 -11.617 6.344 238 H GLU 31 HN GLU 31 22.349 -4.955 3.275 239 HA GLU 31 HA GLU 31 23.990 -7.180 2.404 240 1HB GLU 31 HB2 GLU 31 24.160 -6.290 0.130 241 2HB GLU 31 HB1 GLU 31 22.546 -6.860 0.536 242 1HG GLU 31 HG2 GLU 31 21.905 -4.465 0.853 243 2HG GLU 31 HG1 GLU 31 23.508 -4.038 0.247 244 H LYS 32 HN LYS 32 26.074 -6.804 2.214 245 HA LYS 32 HA LYS 32 26.984 -4.176 2.983 246 1HB LYS 32 HB2 LYS 32 28.338 -6.840 2.908 247 2HB LYS 32 HB1 LYS 32 29.202 -5.339 3.161 248 1HG LYS 32 HG2 LYS 32 27.794 -4.930 5.122 249 2HG LYS 32 HG1 LYS 32 27.113 -6.544 4.973 250 1HD LYS 32 HD2 LYS 32 29.967 -5.733 5.519 251 2HD LYS 32 HD1 LYS 32 28.902 -6.691 6.543 252 1HE LYS 32 HE2 LYS 32 28.918 -8.457 4.783 253 2HE LYS 32 HE1 LYS 32 30.066 -7.442 3.901 254 1HZ LYS 32 HZ1 LYS 32 30.572 -8.568 6.609 255 2HZ LYS 32 HZ3 LYS 32 31.196 -9.179 5.175 256 3HZ LYS 32 HZ2 LYS 32 31.642 -7.661 5.686 257 H VAL 33 HN VAL 33 27.221 -2.999 1.388 258 HA VAL 33 HA VAL 33 28.112 -4.194 -1.108 259 HB VAL 33 HB VAL 33 26.023 -3.260 -1.588 260 1HG1 VAL 33 1HG1 VAL 33 26.739 -0.856 0.041 261 2HG1 VAL 33 3HG1 VAL 33 25.239 -1.112 -0.876 262 3HG1 VAL 33 2HG1 VAL 33 25.645 -2.193 0.455 263 1HG2 VAL 33 2HG2 VAL 33 27.695 -2.510 -3.164 264 2HG2 VAL 33 1HG2 VAL 33 26.394 -1.329 -2.998 265 3HG2 VAL 33 3HG2 VAL 33 27.928 -1.060 -2.171 266 H PHE 34 HN PHE 34 29.913 -3.504 -2.146 267 HA PHE 34 HA PHE 34 31.808 -2.266 -0.429 268 1HB PHE 34 HB2 PHE 34 32.019 -3.444 -3.178 269 2HB PHE 34 HB1 PHE 34 33.370 -2.657 -2.379 270 HD1 PHE 34 HD1 PHE 34 34.890 -4.151 -1.566 271 HD2 PHE 34 HD2 PHE 34 30.760 -5.129 -1.313 272 HE1 PHE 34 HE1 PHE 34 35.463 -6.258 -0.438 273 HE2 PHE 34 HE2 PHE 34 31.324 -7.250 -0.198 274 HZ PHE 34 HZ PHE 34 33.681 -7.814 0.242 275 H SER 35 HN SER 35 29.817 -1.132 -2.957 276 HA SER 35 HA SER 35 30.918 1.497 -2.430 277 1HB SER 35 HB2 SER 35 32.028 0.635 -4.513 278 2HB SER 35 HB1 SER 35 30.426 0.502 -5.238 279 HG SER 35 HG SER 35 31.732 2.836 -4.320 280 H MET 36 HN MET 36 29.243 2.670 -1.822 281 HA MET 36 HA MET 36 26.551 1.963 -1.966 282 1HB MET 36 HB2 MET 36 27.890 4.627 -1.661 283 2HB MET 36 HB1 MET 36 26.141 4.503 -1.690 284 1HG MET 36 HG2 MET 36 27.280 2.601 0.140 285 2HG MET 36 HG1 MET 36 27.826 4.250 0.493 286 1HE MET 36 HE1 MET 36 24.511 3.330 -1.228 287 2HE MET 36 HE3 MET 36 24.463 2.004 -0.053 288 3HE MET 36 HE2 MET 36 23.329 3.392 0.030 289 H ASP 37 HN ASP 37 28.523 3.456 -4.209 290 HA ASP 37 HA ASP 37 26.813 4.751 -5.976 291 1HB ASP 37 HB2 ASP 37 29.273 4.862 -6.065 292 2HB ASP 37 HB1 ASP 37 29.328 3.190 -6.588 293 H ASP 38 HN ASP 38 27.865 1.400 -5.779 294 HA ASP 38 HA ASP 38 26.586 0.454 -8.163 295 1HB ASP 38 HB2 ASP 38 28.585 -0.674 -7.075 296 2HB ASP 38 HB1 ASP 38 27.502 -1.082 -5.761 297 H PHE 39 HN PHE 39 25.826 0.605 -4.768 298 HA PHE 39 HA PHE 39 23.532 -0.994 -4.736 299 1HB PHE 39 HB2 PHE 39 24.736 -0.407 -2.733 300 2HB PHE 39 HB1 PHE 39 24.413 1.301 -2.981 301 HD1 PHE 39 HD1 PHE 39 23.133 -1.905 -1.781 302 HD2 PHE 39 HD2 PHE 39 22.170 2.132 -2.615 303 HE1 PHE 39 HE1 PHE 39 21.112 -2.133 -0.414 304 HE2 PHE 39 HE2 PHE 39 20.135 1.936 -1.252 305 HZ PHE 39 HZ PHE 39 19.591 -0.201 -0.158 306 H TRP 40 HN TRP 40 24.050 2.491 -5.199 307 HA TRP 40 HA TRP 40 21.329 3.164 -5.367 308 1HB TRP 40 HB2 TRP 40 23.682 4.618 -6.576 309 2HB TRP 40 HB1 TRP 40 22.057 5.274 -6.420 310 HD1 TRP 40 HD1 TRP 40 25.118 5.880 -4.926 311 HE1 TRP 40 HE1 TRP 40 25.005 6.404 -2.436 312 HE3 TRP 40 HE3 TRP 40 20.411 4.127 -3.955 313 HZ2 TRP 40 HZ2 TRP 40 23.143 6.118 -0.312 314 HZ3 TRP 40 HZ3 TRP 40 19.554 4.287 -1.682 315 HH2 TRP 40 HH2 TRP 40 20.868 5.263 0.096 316 H ALA 41 HN ALA 41 23.633 2.209 -7.738 317 HA ALA 41 HA ALA 41 21.888 2.684 -9.962 318 1HB ALA 41 HB3 ALA 41 24.308 0.888 -9.808 319 2HB ALA 41 HB2 ALA 41 23.526 1.444 -11.288 320 3HB ALA 41 HB1 ALA 41 24.338 2.597 -10.226 321 H ALA 42 HN ALA 42 22.498 0.016 -7.861 322 HA ALA 42 HA ALA 42 21.064 -1.911 -9.338 323 1HB ALA 42 HB1 ALA 42 22.695 -2.505 -7.626 324 2HB ALA 42 HB2 ALA 42 21.125 -3.234 -7.273 325 3HB ALA 42 HB3 ALA 42 21.665 -1.799 -6.392 326 H TYR 43 HN TYR 43 20.095 0.392 -6.795 327 HA TYR 43 HA TYR 43 17.378 -0.665 -7.038 328 1HB TYR 43 HB2 TYR 43 18.696 0.895 -4.823 329 2HB TYR 43 HB1 TYR 43 16.988 0.533 -4.879 330 HD1 TYR 43 HD1 TYR 43 20.334 -1.053 -4.600 331 HD2 TYR 43 HD2 TYR 43 16.140 -1.548 -4.246 332 HE1 TYR 43 HE1 TYR 43 20.699 -3.231 -3.509 333 HE2 TYR 43 HE2 TYR 43 16.481 -3.738 -3.148 334 HH TYR 43 HH TYR 43 19.602 -4.786 -2.102 335 H ALA 44 HN ALA 44 18.983 1.528 -8.628 336 HA ALA 44 HA ALA 44 17.810 3.954 -8.195 337 1HB ALA 44 HB3 ALA 44 19.731 3.554 -9.679 338 2HB ALA 44 HB2 ALA 44 18.629 2.873 -10.872 339 3HB ALA 44 HB1 ALA 44 18.500 4.577 -10.434 340 H GLY 45 HN GLY 45 16.417 1.178 -9.636 341 1HA GLY 45 HA1 GLY 45 14.407 0.809 -10.690 342 2HA GLY 45 HA2 GLY 45 14.308 2.537 -11.008 343 H TRP 46 HN TRP 46 14.779 1.383 -7.724 344 HA TRP 46 HA TRP 46 12.019 1.448 -7.009 345 1HB TRP 46 HB2 TRP 46 14.514 1.582 -5.301 346 2HB TRP 46 HB1 TRP 46 12.873 1.295 -4.743 347 HD1 TRP 46 HD1 TRP 46 15.469 -0.429 -7.019 348 HE1 TRP 46 HE1 TRP 46 15.278 -2.967 -6.665 349 HE3 TRP 46 HE3 TRP 46 11.585 -0.443 -3.787 350 HZ2 TRP 46 HZ2 TRP 46 13.645 -4.760 -5.137 351 HZ3 TRP 46 HZ3 TRP 46 10.738 -2.565 -2.958 352 HH2 TRP 46 HH2 TRP 46 11.752 -4.688 -3.630 353 H THR 47 HN THR 47 11.165 3.092 -5.496 354 HA THR 47 HA THR 47 12.282 5.704 -5.960 355 HB THR 47 HB THR 47 9.747 4.733 -4.646 356 HG1 THR 47 HG1 THR 47 10.388 5.767 -7.205 357 1HG2 THR 47 2HG2 THR 47 10.469 6.882 -3.762 358 2HG2 THR 47 1HG2 THR 47 10.585 7.532 -5.405 359 3HG2 THR 47 3HG2 THR 47 9.009 7.059 -4.743 360 H LEU 48 HN LEU 48 13.618 6.579 -4.596 361 HA LEU 48 HA LEU 48 14.272 5.326 -2.099 362 1HB LEU 48 HB2 LEU 48 15.946 6.301 -3.710 363 2HB LEU 48 HB1 LEU 48 15.303 7.883 -3.376 364 HG LEU 48 HG LEU 48 17.532 7.290 -2.310 365 1HD1 LEU 48 2HD1 LEU 48 16.291 9.191 -1.506 366 2HD1 LEU 48 1HD1 LEU 48 15.377 8.148 -0.399 367 3HD1 LEU 48 3HD1 LEU 48 17.127 8.330 -0.208 368 1HD2 LEU 48 3HD2 LEU 48 15.803 5.606 -0.522 369 2HD2 LEU 48 2HD2 LEU 48 17.058 5.027 -1.626 370 3HD2 LEU 48 1HD2 LEU 48 17.490 6.022 -0.241 371 H VAL 49 HN VAL 49 13.035 5.684 -0.378 372 HA VAL 49 HA VAL 49 11.530 8.148 -0.282 373 HB VAL 49 HB VAL 49 11.336 5.686 1.514 374 1HG1 VAL 49 1HG1 VAL 49 10.697 7.708 2.732 375 2HG1 VAL 49 3HG1 VAL 49 9.571 8.128 1.441 376 3HG1 VAL 49 2HG1 VAL 49 9.305 6.676 2.405 377 1HG2 VAL 49 2HG2 VAL 49 10.584 5.295 -0.752 378 2HG2 VAL 49 1HG2 VAL 49 9.224 5.299 0.372 379 3HG2 VAL 49 3HG2 VAL 49 9.523 6.701 -0.660 380 H GLU 50 HN GLU 50 13.883 6.370 1.727 381 HA GLU 50 HA GLU 50 15.065 8.867 2.442 382 1HB GLU 50 HB2 GLU 50 14.896 8.531 4.893 383 2HB GLU 50 HB1 GLU 50 13.324 8.812 4.153 384 1HG GLU 50 HG2 GLU 50 12.893 6.455 4.236 385 2HG GLU 50 HG1 GLU 50 14.463 6.168 4.987 386 H GLN 51 HN GLN 51 17.094 8.600 3.374 387 HA GLN 51 HA GLN 51 18.059 5.912 3.773 388 1HB GLN 51 HB2 GLN 51 20.095 6.407 2.467 389 2HB GLN 51 HB1 GLN 51 18.604 6.349 1.524 390 1HG GLN 51 HG2 GLN 51 18.552 8.710 1.301 391 2HG GLN 51 HG1 GLN 51 19.872 8.887 2.460 392 1HE2 GLN 51 1HE2 GLN 51 19.017 7.684 -0.628 393 2HE2 GLN 51 2HE2 GLN 51 20.624 7.637 -1.305 394 H LYS 52 HN LYS 52 19.458 5.750 5.346 395 HA LYS 52 HA LYS 52 20.752 8.112 6.403 396 1HB LYS 52 HB2 LYS 52 20.254 7.138 8.731 397 2HB LYS 52 HB1 LYS 52 18.901 7.923 7.920 398 1HG LYS 52 HG2 LYS 52 18.080 5.747 7.249 399 2HG LYS 52 HG1 LYS 52 19.394 4.944 8.101 400 1HD LYS 52 HD2 LYS 52 18.083 4.938 9.932 401 2HD LYS 52 HD1 LYS 52 18.225 6.691 9.960 402 1HE LYS 52 HE2 LYS 52 16.158 5.177 8.414 403 2HE LYS 52 HE1 LYS 52 15.894 5.862 10.013 404 1HZ LYS 52 HZ2 LYS 52 16.665 7.530 7.656 405 2HZ LYS 52 HZ1 LYS 52 15.076 7.223 8.115 406 3HZ LYS 52 HZ3 LYS 52 16.105 8.026 9.156 407 H LYS 53 HN LYS 53 22.560 7.248 8.007 408 HA LYS 53 HA LYS 53 24.064 5.443 6.375 409 1HB LYS 53 HB2 LYS 53 25.000 7.390 7.805 410 2HB LYS 53 HB1 LYS 53 24.828 6.308 9.174 411 1HG LYS 53 HG2 LYS 53 26.513 5.696 6.732 412 2HG LYS 53 HG1 LYS 53 27.135 6.409 8.213 413 1HD LYS 53 HD2 LYS 53 26.672 4.421 9.454 414 2HD LYS 53 HD1 LYS 53 25.704 3.755 8.143 415 1HE LYS 53 HE2 LYS 53 27.849 2.657 8.220 416 2HE LYS 53 HE1 LYS 53 27.697 3.624 6.751 417 1HZ LYS 53 HZ1 LYS 53 29.183 4.418 9.197 418 2HZ LYS 53 HZ3 LYS 53 29.864 3.793 7.808 419 3HZ LYS 53 HZ2 LYS 53 29.130 5.299 7.753 420 H GLY 54 HN GLY 54 23.414 3.454 6.258 421 1HA GLY 54 HA1 GLY 54 23.193 1.977 8.789 422 2HA GLY 54 HA2 GLY 54 23.965 1.326 7.352 423 H TYR 55 HN TYR 55 21.014 3.220 6.971 424 HA TYR 55 HA TYR 55 19.663 0.798 6.201 425 1HB TYR 55 HB2 TYR 55 18.927 0.980 8.403 426 2HB TYR 55 HB1 TYR 55 18.954 2.726 8.380 427 HD1 TYR 55 HD1 TYR 55 16.926 -0.234 7.780 428 HD2 TYR 55 HD2 TYR 55 17.256 3.910 7.305 429 HE1 TYR 55 HE1 TYR 55 14.480 -0.121 7.431 430 HE2 TYR 55 HE2 TYR 55 14.827 4.132 6.955 431 HH TYR 55 HH TYR 55 12.732 1.516 7.671 432 H VAL 56 HN VAL 56 18.430 1.110 4.455 433 HA VAL 56 HA VAL 56 17.920 3.839 3.545 434 HB VAL 56 HB VAL 56 19.002 1.548 1.840 435 1HG1 VAL 56 2HG1 VAL 56 18.043 4.273 0.996 436 2HG1 VAL 56 1HG1 VAL 56 18.846 3.097 -0.044 437 3HG1 VAL 56 3HG1 VAL 56 17.258 2.737 0.630 438 1HG2 VAL 56 1HG2 VAL 56 20.712 2.830 3.087 439 2HG2 VAL 56 3HG2 VAL 56 20.837 3.052 1.341 440 3HG2 VAL 56 2HG2 VAL 56 20.109 4.311 2.321 441 H LEU 57 HN LEU 57 15.894 4.097 2.640 442 HA LEU 57 HA LEU 57 14.209 1.728 2.618 443 1HB LEU 57 HB2 LEU 57 13.495 2.921 4.484 444 2HB LEU 57 HB1 LEU 57 13.828 4.454 3.735 445 HG LEU 57 HG LEU 57 11.834 4.371 2.478 446 1HD1 LEU 57 3HD1 LEU 57 11.715 2.065 1.936 447 2HD1 LEU 57 2HD1 LEU 57 11.213 1.674 3.604 448 3HD1 LEU 57 1HD1 LEU 57 10.215 2.730 2.565 449 1HD2 LEU 57 2HD2 LEU 57 11.608 5.228 4.725 450 2HD2 LEU 57 1HD2 LEU 57 10.140 4.382 4.245 451 3HD2 LEU 57 3HD2 LEU 57 11.296 3.603 5.320 452 H PHE 58 HN PHE 58 13.588 1.185 0.743 453 HA PHE 58 HA PHE 58 13.036 3.182 -1.381 454 1HB PHE 58 HB2 PHE 58 14.348 0.507 -1.491 455 2HB PHE 58 HB1 PHE 58 13.427 1.054 -2.870 456 HD1 PHE 58 HD1 PHE 58 14.128 3.218 -3.948 457 HD2 PHE 58 HD2 PHE 58 16.545 1.133 -1.180 458 HE1 PHE 58 HE1 PHE 58 16.103 4.368 -4.836 459 HE2 PHE 58 HE2 PHE 58 18.528 2.275 -2.067 460 HZ PHE 58 HZ PHE 58 18.311 3.893 -3.899 461 H ARG 59 HN ARG 59 11.317 2.630 -2.855 462 HA ARG 59 HA ARG 59 9.637 0.359 -2.077 463 1HB ARG 59 HB2 ARG 59 7.571 1.649 -2.510 464 2HB ARG 59 HB1 ARG 59 8.510 2.306 -1.166 465 1HG ARG 59 HG2 ARG 59 9.296 4.085 -2.599 466 2HG ARG 59 HG1 ARG 59 8.413 3.353 -3.956 467 1HD ARG 59 HD2 ARG 59 7.241 5.243 -2.848 468 2HD ARG 59 HD1 ARG 59 6.321 3.741 -2.928 469 HE ARG 59 HE ARG 59 7.664 3.757 -0.471 470 1HH1 ARG 59 1HH1 ARG 59 5.030 5.541 -2.021 471 2HH1 ARG 59 2HH1 ARG 59 4.327 5.994 -0.545 472 1HH2 ARG 59 1HH2 ARG 59 6.692 4.271 1.443 473 2HH2 ARG 59 2HH2 ARG 59 5.297 5.263 1.519 474 H LYS 60 HN LYS 60 8.498 -0.634 -3.661 475 HA LYS 60 HA LYS 60 8.674 0.224 -6.439 476 1HB LYS 60 HB2 LYS 60 10.719 -1.020 -6.125 477 2HB LYS 60 HB1 LYS 60 9.822 -2.354 -5.411 478 1HG LYS 60 HG2 LYS 60 10.023 -3.176 -7.534 479 2HG LYS 60 HG1 LYS 60 8.605 -2.152 -7.789 480 1HD LYS 60 HD2 LYS 60 10.195 -1.760 -9.573 481 2HD LYS 60 HD1 LYS 60 10.112 -0.328 -8.539 482 1HE LYS 60 HE2 LYS 60 12.161 -0.768 -7.531 483 2HE LYS 60 HE1 LYS 60 12.199 -2.427 -8.073 484 1HZ LYS 60 HZ1 LYS 60 12.403 -0.055 -9.855 485 2HZ LYS 60 HZ3 LYS 60 13.672 -1.061 -9.379 486 3HZ LYS 60 HZ2 LYS 60 12.447 -1.649 -10.334 487 H GLN 61 HN GLN 61 6.667 -0.067 -7.084 488 HA GLN 61 HA GLN 61 5.128 -2.174 -5.900 489 1HB GLN 61 HB2 GLN 61 3.193 -0.834 -6.739 490 2HB GLN 61 HB1 GLN 61 4.173 -0.141 -5.468 491 1HG GLN 61 HG2 GLN 61 4.285 0.652 -8.376 492 2HG GLN 61 HG1 GLN 61 3.402 1.489 -7.098 493 1HE2 GLN 61 1HE2 GLN 61 4.599 2.634 -5.491 494 2HE2 GLN 61 2HE2 GLN 61 6.196 3.160 -5.840 495 H MET 62 HN MET 62 5.114 -3.938 -7.001 496 HA MET 62 HA MET 62 4.244 -3.944 -9.675 497 1HB MET 62 HB2 MET 62 6.220 -5.507 -10.402 498 2HB MET 62 HB1 MET 62 6.337 -3.769 -10.535 499 1HG MET 62 HG2 MET 62 8.439 -4.641 -9.769 500 2HG MET 62 HG1 MET 62 7.686 -3.744 -8.472 501 1HE MET 62 HE2 MET 62 7.679 -4.589 -6.083 502 2HE MET 62 HE1 MET 62 6.150 -5.374 -6.473 503 3HE MET 62 HE3 MET 62 7.414 -6.254 -5.608 504 H ASP 63 HN ASP 63 2.502 -4.927 -8.900 505 HA ASP 63 HA ASP 63 2.290 -7.651 -9.163 506 1HB ASP 63 HB2 ASP 63 3.471 -7.482 -6.811 507 2HB ASP 63 HB1 ASP 63 1.952 -6.800 -6.254 508 H ASP 64 HN ASP 64 -0.099 -7.918 -7.591 509 HA ASP 64 HA ASP 64 -1.559 -5.640 -8.659 510 1HB ASP 64 HB2 ASP 64 -3.622 -7.083 -8.818 511 2HB ASP 64 HB1 ASP 64 -2.328 -7.537 -9.909 512 H ILE 65 HN ILE 65 -3.234 -7.788 -6.465 513 HA ILE 65 HA ILE 65 -3.028 -5.566 -4.589 514 HB ILE 65 HB ILE 65 -5.133 -6.227 -3.551 515 1HG1 ILE 65 2HG1 ILE 65 -5.205 -8.359 -5.682 516 2HG1 ILE 65 1HG1 ILE 65 -5.103 -8.596 -3.952 517 1HG2 ILE 65 2HG2 ILE 65 -5.383 -5.815 -6.516 518 2HG2 ILE 65 1HG2 ILE 65 -6.680 -5.584 -5.344 519 3HG2 ILE 65 3HG2 ILE 65 -5.237 -4.570 -5.279 520 1HD1 ILE 65 2HD1 ILE 65 -7.363 -7.706 -3.651 521 2HD1 ILE 65 1HD1 ILE 65 -7.496 -7.442 -5.388 522 3HD1 ILE 65 3HD1 ILE 65 -7.368 -9.080 -4.755 523 H SER 66 HN SER 66 -3.240 -6.226 -2.313 524 HA SER 66 HA SER 66 -0.922 -7.552 -1.688 525 1HB SER 66 HB2 SER 66 -3.133 -7.117 0.238 526 2HB SER 66 HB1 SER 66 -1.400 -6.828 0.423 527 HG SER 66 HG SER 66 -3.030 -5.002 -0.048 528 HA PRO 67 HA PRO 67 -1.741 -11.862 -1.572 529 1HB PRO 67 HB2 PRO 67 -0.329 -12.576 0.703 530 2HB PRO 67 HB1 PRO 67 0.375 -12.323 -0.898 531 1HG PRO 67 HG2 PRO 67 0.239 -10.460 1.430 532 2HG PRO 67 HG1 PRO 67 1.572 -10.735 0.295 533 1HD PRO 67 HD2 PRO 67 -0.011 -8.591 0.111 534 2HD PRO 67 HD1 PRO 67 0.591 -9.391 -1.351 535 H LEU 68 HN LEU 68 -2.116 -10.399 1.652 536 HA LEU 68 HA LEU 68 -3.881 -12.528 2.468 537 1HB LEU 68 HB2 LEU 68 -2.151 -11.099 3.883 538 2HB LEU 68 HB1 LEU 68 -3.483 -9.980 4.007 539 HG LEU 68 HG LEU 68 -3.278 -11.381 6.000 540 1HD1 LEU 68 1HD1 LEU 68 -5.521 -10.614 5.432 541 2HD1 LEU 68 3HD1 LEU 68 -5.759 -12.058 4.442 542 3HD1 LEU 68 2HD1 LEU 68 -5.558 -12.218 6.179 543 1HD2 LEU 68 3HD2 LEU 68 -2.284 -13.285 4.880 544 2HD2 LEU 68 2HD2 LEU 68 -3.634 -13.774 5.920 545 3HD2 LEU 68 1HD2 LEU 68 -3.837 -13.678 4.160 546 H SER 69 HN SER 69 -4.029 -9.231 1.365 547 HA SER 69 HA SER 69 -6.673 -8.672 2.039 548 1HB SER 69 HB2 SER 69 -5.081 -7.576 -0.267 549 2HB SER 69 HB1 SER 69 -6.505 -6.842 0.472 550 HG SER 69 HG SER 69 -4.853 -5.854 1.410 551 H LYS 70 HN LYS 70 -5.374 -10.601 -0.536 552 HA LYS 70 HA LYS 70 -7.934 -10.596 -1.884 553 1HB LYS 70 HB2 LYS 70 -6.904 -12.064 -3.522 554 2HB LYS 70 HB1 LYS 70 -6.022 -10.566 -3.273 555 1HG LYS 70 HG2 LYS 70 -4.377 -11.774 -1.914 556 2HG LYS 70 HG1 LYS 70 -5.272 -13.273 -2.173 557 1HD LYS 70 HD2 LYS 70 -3.438 -13.189 -3.734 558 2HD LYS 70 HD1 LYS 70 -4.974 -12.979 -4.589 559 1HE LYS 70 HE2 LYS 70 -4.600 -10.507 -4.531 560 2HE LYS 70 HE1 LYS 70 -3.013 -10.823 -3.838 561 1HZ LYS 70 HZ3 LYS 70 -3.912 -11.949 -6.402 562 2HZ LYS 70 HZ2 LYS 70 -3.166 -10.462 -6.356 563 3HZ LYS 70 HZ1 LYS 70 -2.328 -11.863 -5.861 564 H VAL 71 HN VAL 71 -6.578 -12.328 0.660 565 HA VAL 71 HA VAL 71 -8.205 -14.682 0.072 566 HB VAL 71 HB VAL 71 -7.156 -15.821 1.875 567 1HG1 VAL 71 2HG1 VAL 71 -5.647 -15.498 0.036 568 2HG1 VAL 71 1HG1 VAL 71 -5.096 -13.987 0.776 569 3HG1 VAL 71 3HG1 VAL 71 -4.757 -15.524 1.572 570 1HG2 VAL 71 2HG2 VAL 71 -7.439 -14.158 3.631 571 2HG2 VAL 71 1HG2 VAL 71 -5.785 -14.778 3.621 572 3HG2 VAL 71 3HG2 VAL 71 -6.140 -13.201 2.917 573 H ASN 72 HN ASN 72 -8.088 -11.877 1.862 574 HA ASN 72 HA ASN 72 -10.457 -12.469 3.455 575 1HB ASN 72 HB2 ASN 72 -8.502 -11.382 4.525 576 2HB ASN 72 HB1 ASN 72 -8.626 -10.044 3.402 577 1HD2 ASN 72 1HD2 ASN 72 -9.997 -11.587 6.207 578 2HD2 ASN 72 2HD2 ASN 72 -10.958 -10.269 6.721 579 H GLY 73 HN GLY 73 -9.452 -9.652 1.418 580 1HA GLY 73 HA1 GLY 73 -11.685 -9.987 -0.323 581 2HA GLY 73 HA2 GLY 73 -10.473 -8.727 -0.393 582 H TYR 74 HN TYR 74 -10.984 -7.680 2.295 583 HA TYR 74 HA TYR 74 -13.773 -6.926 2.124 584 1HB TYR 74 HB2 TYR 74 -11.990 -7.429 4.475 585 2HB TYR 74 HB1 TYR 74 -13.329 -6.307 4.613 586 HD1 TYR 74 HD1 TYR 74 -15.296 -7.124 5.406 587 HD2 TYR 74 HD2 TYR 74 -12.681 -9.819 3.452 588 HE1 TYR 74 HE1 TYR 74 -16.811 -8.949 5.962 589 HE2 TYR 74 HE2 TYR 74 -14.192 -11.686 3.996 590 HH TYR 74 HH TYR 74 -15.900 -12.170 5.711 591 H ILE 75 HN ILE 75 -13.789 -5.240 1.196 592 HA ILE 75 HA ILE 75 -11.996 -3.034 1.739 593 HB ILE 75 HB ILE 75 -14.212 -3.656 -0.087 594 1HG1 ILE 75 2HG1 ILE 75 -11.401 -2.836 -0.685 595 2HG1 ILE 75 1HG1 ILE 75 -11.981 -4.494 -0.545 596 1HG2 ILE 75 1HG2 ILE 75 -14.487 -1.229 0.513 597 2HG2 ILE 75 3HG2 ILE 75 -12.784 -0.941 0.147 598 3HG2 ILE 75 2HG2 ILE 75 -13.912 -1.339 -1.150 599 1HD1 ILE 75 3HD1 ILE 75 -13.495 -4.014 -2.487 600 2HD1 ILE 75 2HD1 ILE 75 -12.804 -2.408 -2.579 601 3HD1 ILE 75 1HD1 ILE 75 -11.791 -3.818 -2.896 602 H GLY 76 HN GLY 76 -12.597 -1.508 3.149 603 1HA GLY 76 HA1 GLY 76 -13.796 -1.668 5.293 604 2HA GLY 76 HA2 GLY 76 -15.233 -1.891 4.294 605 H VAL 77 HN VAL 77 -16.431 -0.274 4.230 606 HA VAL 77 HA VAL 77 -15.111 2.288 4.214 607 HB VAL 77 HB VAL 77 -17.707 1.550 2.946 608 1HG1 VAL 77 3HG1 VAL 77 -16.295 4.201 3.015 609 2HG1 VAL 77 2HG1 VAL 77 -17.668 3.831 1.979 610 3HG1 VAL 77 1HG1 VAL 77 -17.853 3.814 3.744 611 1HG2 VAL 77 2HG2 VAL 77 -15.005 2.121 1.859 612 2HG2 VAL 77 1HG2 VAL 77 -15.961 0.689 1.610 613 3HG2 VAL 77 3HG2 VAL 77 -16.430 2.210 0.820 614 H SER 78 HN SER 78 -15.521 3.599 5.681 615 HA SER 78 HA SER 78 -17.288 2.677 7.791 616 1HB SER 78 HB2 SER 78 -15.091 4.753 7.840 617 2HB SER 78 HB1 SER 78 -15.979 4.136 9.234 618 HG SER 78 HG SER 78 -14.997 2.120 7.765 619 H ASP 79 HN ASP 79 -18.226 4.698 9.098 620 HA ASP 79 HA ASP 79 -20.407 5.542 7.724 621 1HB ASP 79 HB2 ASP 79 -19.207 6.959 10.099 622 2HB ASP 79 HB1 ASP 79 -20.888 6.930 9.585 623 H ASN 80 HN ASN 80 -17.355 7.256 8.017 624 HA ASN 80 HA ASN 80 -18.480 9.639 6.813 625 1HB ASN 80 HB2 ASN 80 -15.678 9.001 7.754 626 2HB ASN 80 HB1 ASN 80 -16.122 10.518 6.990 627 1HD2 ASN 80 1HD2 ASN 80 -16.269 8.627 9.854 628 2HD2 ASN 80 2HD2 ASN 80 -16.950 9.831 10.882 629 H GLY 81 HN GLY 81 -18.015 6.898 5.431 630 1HA GLY 81 HA1 GLY 81 -17.553 8.016 2.851 631 2HA GLY 81 HA2 GLY 81 -17.902 6.336 3.239 632 H VAL 82 HN VAL 82 -15.849 6.104 5.093 633 HA VAL 82 HA VAL 82 -13.340 6.788 3.880 634 HB VAL 82 HB VAL 82 -13.811 4.832 6.134 635 1HG1 VAL 82 3HG1 VAL 82 -11.476 6.594 5.452 636 2HG1 VAL 82 2HG1 VAL 82 -11.591 5.541 6.867 637 3HG1 VAL 82 1HG1 VAL 82 -11.560 4.845 5.243 638 1HG2 VAL 82 2HG2 VAL 82 -14.995 6.915 6.572 639 2HG2 VAL 82 1HG2 VAL 82 -13.620 6.709 7.674 640 3HG2 VAL 82 3HG2 VAL 82 -13.512 7.817 6.305 641 H ILE 83 HN ILE 83 -12.653 5.783 2.193 642 HA ILE 83 HA ILE 83 -13.629 3.210 1.270 643 HB ILE 83 HB ILE 83 -11.750 5.114 -0.203 644 1HG1 ILE 83 2HG1 ILE 83 -13.793 6.279 0.302 645 2HG1 ILE 83 1HG1 ILE 83 -13.847 5.798 -1.392 646 1HG2 ILE 83 3HG2 ILE 83 -11.773 2.799 -1.127 647 2HG2 ILE 83 2HG2 ILE 83 -13.523 2.879 -1.249 648 3HG2 ILE 83 1HG2 ILE 83 -12.525 3.945 -2.246 649 1HD1 ILE 83 3HD1 ILE 83 -15.259 3.904 -0.800 650 2HD1 ILE 83 2HD1 ILE 83 -15.187 4.402 0.886 651 3HD1 ILE 83 1HD1 ILE 83 -15.994 5.437 -0.304 652 H SER 84 HN SER 84 -12.212 2.669 3.379 653 HA SER 84 HA SER 84 -9.410 2.226 2.474 654 1HB SER 84 HB2 SER 84 -10.481 2.233 5.284 655 2HB SER 84 HB1 SER 84 -8.782 2.232 4.781 656 HG SER 84 HG SER 84 -10.463 4.097 3.731 657 H THR 85 HN THR 85 -8.432 0.145 2.831 658 HA THR 85 HA THR 85 -10.454 -1.879 3.051 659 HB THR 85 HB THR 85 -8.663 -3.495 2.394 660 HG1 THR 85 HG1 THR 85 -6.732 -2.528 1.605 661 1HG2 THR 85 3HG2 THR 85 -8.953 -1.057 0.628 662 2HG2 THR 85 2HG2 THR 85 -8.384 -2.640 0.087 663 3HG2 THR 85 1HG2 THR 85 -10.028 -2.443 0.693 664 H PHE 86 HN PHE 86 -10.376 -3.581 4.566 665 HA PHE 86 HA PHE 86 -8.820 -2.942 6.921 666 1HB PHE 86 HB2 PHE 86 -11.809 -3.320 6.824 667 2HB PHE 86 HB1 PHE 86 -10.900 -3.588 8.296 668 HD1 PHE 86 HD1 PHE 86 -11.786 -1.058 5.772 669 HD2 PHE 86 HD2 PHE 86 -10.319 -1.820 9.660 670 HE1 PHE 86 HE1 PHE 86 -12.079 1.334 6.336 671 HE2 PHE 86 HE2 PHE 86 -10.584 0.559 10.249 672 HZ PHE 86 HZ PHE 86 -11.472 2.141 8.581 673 H HIS 87 HN HIS 87 -9.332 -4.841 8.587 674 HA HIS 87 HA HIS 87 -9.039 -7.329 7.092 675 1HB HIS 87 HB2 HIS 87 -8.510 -6.709 10.015 676 2HB HIS 87 HB1 HIS 87 -8.194 -8.251 9.239 677 HD1 HIS 87 HD1 HIS 87 -6.478 -5.316 10.283 678 HD2 HIS 87 HD2 HIS 87 -6.239 -7.803 6.971 679 HE1 HIS 87 HE1 HIS 87 -4.215 -4.900 9.265 680 H GLY 88 HN GLY 88 -11.047 -7.994 6.660 681 1HA GLY 88 HA1 GLY 88 -12.717 -8.948 8.798 682 2HA GLY 88 HA2 GLY 88 -13.073 -9.015 7.079 683 H ARG 89 HN ARG 89 -14.762 -8.242 9.355 684 HA ARG 89 HA ARG 89 -16.257 -6.191 8.300 685 1HB ARG 89 HB2 ARG 89 -15.999 -7.055 11.175 686 2HB ARG 89 HB1 ARG 89 -17.213 -5.926 10.602 687 1HG ARG 89 HG2 ARG 89 -16.954 -8.734 9.557 688 2HG ARG 89 HG1 ARG 89 -17.980 -8.288 10.920 689 1HD ARG 89 HD2 ARG 89 -19.231 -6.740 9.445 690 2HD ARG 89 HD1 ARG 89 -18.222 -7.205 8.096 691 HE ARG 89 HE ARG 89 -19.070 -9.531 8.595 692 1HH1 ARG 89 1HH1 ARG 89 -21.021 -6.625 9.167 693 2HH1 ARG 89 2HH1 ARG 89 -22.495 -7.368 8.810 694 1HH2 ARG 89 1HH2 ARG 89 -21.136 -10.556 8.076 695 2HH2 ARG 89 2HH2 ARG 89 -22.570 -9.655 8.176 696 HA PRO 90 HA PRO 90 -13.689 -2.649 9.279 697 1HB PRO 90 HB2 PRO 90 -15.396 -0.860 8.051 698 2HB PRO 90 HB1 PRO 90 -14.080 -1.725 7.258 699 1HG PRO 90 HG2 PRO 90 -16.997 -2.197 7.060 700 2HG PRO 90 HG1 PRO 90 -15.707 -2.686 5.978 701 1HD PRO 90 HD2 PRO 90 -17.066 -4.282 7.813 702 2HD PRO 90 HD1 PRO 90 -15.624 -4.709 6.884 703 H GLU 91 HN GLU 91 -13.838 -2.177 11.316 704 HA GLU 91 HA GLU 91 -16.131 -0.683 12.274 705 1HB GLU 91 HB2 GLU 91 -16.176 -2.052 14.346 706 2HB GLU 91 HB1 GLU 91 -16.469 -3.033 12.928 707 1HG GLU 91 HG2 GLU 91 -14.190 -3.829 12.977 708 2HG GLU 91 HG1 GLU 91 -13.853 -2.811 14.380 709 HA PRO 92 HA PRO 92 -12.930 1.865 14.038 710 1HB PRO 92 HB2 PRO 92 -13.774 2.290 16.616 711 2HB PRO 92 HB1 PRO 92 -14.412 3.168 15.218 712 1HG PRO 92 HG2 PRO 92 -15.554 0.863 16.721 713 2HG PRO 92 HG1 PRO 92 -16.388 2.236 15.977 714 1HD PRO 92 HD2 PRO 92 -16.261 -0.257 14.901 715 2HD PRO 92 HD1 PRO 92 -16.435 1.215 13.899 716 H ALA 93 HN ALA 93 -13.731 -1.058 15.596 717 HA ALA 93 HA ALA 93 -11.363 -1.052 17.263 718 1HB ALA 93 HB1 ALA 93 -13.431 -2.024 18.121 719 2HB ALA 93 HB2 ALA 93 -12.143 -3.231 18.042 720 3HB ALA 93 HB3 ALA 93 -13.418 -3.215 16.821 721 H SER 94 HN SER 94 -11.890 -1.502 14.077 722 HA SER 94 HA SER 94 -9.869 -3.631 13.891 723 1HB SER 94 HB2 SER 94 -12.003 -3.846 12.499 724 2HB SER 94 HB1 SER 94 -11.470 -2.411 11.620 725 HG SER 94 HG SER 94 -10.748 -4.981 11.273 726 H GLU 95 HN GLU 95 -8.173 -3.221 12.196 727 HA GLU 95 HA GLU 95 -7.161 -0.505 12.616 728 1HB GLU 95 HB2 GLU 95 -5.714 -3.031 11.819 729 2HB GLU 95 HB1 GLU 95 -4.958 -1.450 11.857 730 1HG GLU 95 HG2 GLU 95 -5.403 -1.288 14.250 731 2HG GLU 95 HG1 GLU 95 -6.179 -2.866 14.211 732 HA PRO 96 HA PRO 96 -8.078 0.254 8.274 733 1HB PRO 96 HB2 PRO 96 -6.666 2.780 8.819 734 2HB PRO 96 HB1 PRO 96 -8.309 2.536 8.222 735 1HG PRO 96 HG2 PRO 96 -7.786 3.419 10.687 736 2HG PRO 96 HG1 PRO 96 -9.199 2.404 10.338 737 1HD PRO 96 HD2 PRO 96 -6.606 1.683 11.635 738 2HD PRO 96 HD1 PRO 96 -8.248 1.087 11.962 739 H ILE 97 HN ILE 97 -6.821 -0.427 6.792 740 HA ILE 97 HA ILE 97 -4.053 -0.923 7.251 741 HB ILE 97 HB ILE 97 -5.738 -1.277 4.758 742 1HG1 ILE 97 2HG1 ILE 97 -4.846 -3.334 6.781 743 2HG1 ILE 97 1HG1 ILE 97 -6.409 -2.536 6.838 744 1HG2 ILE 97 1HG2 ILE 97 -3.330 -1.155 4.258 745 2HG2 ILE 97 3HG2 ILE 97 -3.032 -2.440 5.433 746 3HG2 ILE 97 2HG2 ILE 97 -3.990 -2.763 3.987 747 1HD1 ILE 97 1HD1 ILE 97 -5.409 -4.265 4.577 748 2HD1 ILE 97 3HD1 ILE 97 -6.556 -4.738 5.844 749 3HD1 ILE 97 2HD1 ILE 97 -6.995 -3.472 4.711 750 H GLN 98 HN GLN 98 -5.896 1.308 5.261 751 HA GLN 98 HA GLN 98 -3.801 3.241 5.205 752 1HB GLN 98 HB2 GLN 98 -3.369 3.261 2.865 753 2HB GLN 98 HB1 GLN 98 -3.442 1.539 3.179 754 1HG GLN 98 HG2 GLN 98 -5.663 3.237 2.029 755 2HG GLN 98 HG1 GLN 98 -4.617 2.156 1.129 756 1HE2 GLN 98 1HE2 GLN 98 -4.716 0.036 3.041 757 2HE2 GLN 98 2HE2 GLN 98 -6.300 -0.656 2.908 758 H SER 99 HN SER 99 -4.988 5.059 3.587 759 HA SER 99 HA SER 99 -7.805 4.552 3.612 760 1HB SER 99 HB2 SER 99 -7.261 5.828 5.737 761 2HB SER 99 HB1 SER 99 -6.746 7.174 4.715 762 HG SER 99 HG SER 99 -9.254 5.985 4.978 763 H PHE 100 HN PHE 100 -8.564 5.041 1.638 764 HA PHE 100 HA PHE 100 -6.891 6.684 -0.082 765 1HB PHE 100 HB2 PHE 100 -9.272 4.963 -0.798 766 2HB PHE 100 HB1 PHE 100 -8.338 5.913 -1.946 767 HD1 PHE 100 HD1 PHE 100 -5.721 5.463 -1.803 768 HD2 PHE 100 HD2 PHE 100 -8.766 2.742 -0.621 769 HE1 PHE 100 HE1 PHE 100 -4.161 3.588 -2.115 770 HE2 PHE 100 HE2 PHE 100 -7.202 0.866 -0.919 771 HZ PHE 100 HZ PHE 100 -4.907 1.291 -1.668 772 H PHE 101 HN PHE 101 -10.432 6.435 0.234 773 HA PHE 101 HA PHE 101 -10.545 9.372 -0.049 774 1HB PHE 101 HB2 PHE 101 -12.332 7.270 -1.265 775 2HB PHE 101 HB1 PHE 101 -12.785 8.956 -1.150 776 HD1 PHE 101 HD1 PHE 101 -10.200 6.697 -2.550 777 HD2 PHE 101 HD2 PHE 101 -12.275 10.381 -2.855 778 HE1 PHE 101 HE1 PHE 101 -9.172 7.072 -4.737 779 HE2 PHE 101 HE2 PHE 101 -11.235 10.789 -5.060 780 HZ PHE 101 HZ PHE 101 -9.683 9.130 -6.005 781 H GLN 102 HN GLN 102 -12.419 10.332 0.808 782 HA GLN 102 HA GLN 102 -14.135 8.710 2.461 783 1HB GLN 102 HB2 GLN 102 -12.817 11.300 3.172 784 2HB GLN 102 HB1 GLN 102 -14.473 11.040 3.704 785 1HG GLN 102 HG2 GLN 102 -13.849 9.037 4.804 786 2HG GLN 102 HG1 GLN 102 -12.173 9.171 4.329 787 1HE2 GLN 102 1HE2 GLN 102 -14.312 11.775 5.422 788 2HE2 GLN 102 2HE2 GLN 102 -13.465 12.103 6.880 789 H ILE 103 HN ILE 103 -16.053 8.788 1.800 790 HA ILE 103 HA ILE 103 -16.899 11.018 0.066 791 HB ILE 103 HB ILE 103 -18.054 9.450 -1.486 792 1HG1 ILE 103 2HG1 ILE 103 -16.882 7.233 0.216 793 2HG1 ILE 103 1HG1 ILE 103 -18.555 7.752 0.321 794 1HG2 ILE 103 3HG2 ILE 103 -15.710 9.994 -1.964 795 2HG2 ILE 103 2HG2 ILE 103 -15.206 8.591 -1.039 796 3HG2 ILE 103 1HG2 ILE 103 -16.153 8.375 -2.506 797 1HD1 ILE 103 3HD1 ILE 103 -17.226 6.628 -2.125 798 2HD1 ILE 103 2HD1 ILE 103 -18.329 5.762 -1.035 799 3HD1 ILE 103 1HD1 ILE 103 -18.911 7.138 -1.978 800 H ASP 104 HN ASP 104 -19.422 10.711 -0.274 801 HA ASP 104 HA ASP 104 -20.524 10.702 2.425 802 1HB ASP 104 HB2 ASP 104 -21.494 11.528 -0.198 803 2HB ASP 104 HB1 ASP 104 -22.652 11.577 1.041 804 H LEU 105 HN LEU 105 -21.189 8.781 3.108 805 HA LEU 105 HA LEU 105 -22.123 6.795 1.340 806 1HB LEU 105 HB2 LEU 105 -22.440 7.037 4.312 807 2HB LEU 105 HB1 LEU 105 -22.996 5.662 3.391 808 HG LEU 105 HG LEU 105 -20.202 6.500 4.028 809 1HD1 LEU 105 1HD1 LEU 105 -21.783 3.971 4.248 810 2HD1 LEU 105 3HD1 LEU 105 -20.076 4.111 4.659 811 3HD1 LEU 105 2HD1 LEU 105 -21.288 5.033 5.571 812 1HD2 LEU 105 2HD2 LEU 105 -21.023 4.597 1.815 813 2HD2 LEU 105 1HD2 LEU 105 -20.160 6.116 1.618 814 3HD2 LEU 105 3HD2 LEU 105 -19.392 4.772 2.455 815 H GLU 106 HN GLU 106 -23.522 9.343 3.042 816 HA GLU 106 HA GLU 106 -26.234 8.688 2.686 817 1HB GLU 106 HB2 GLU 106 -26.560 11.133 3.141 818 2HB GLU 106 HB1 GLU 106 -25.654 10.248 4.362 819 1HG GLU 106 HG2 GLU 106 -23.556 11.115 3.372 820 2HG GLU 106 HG1 GLU 106 -24.515 12.064 2.242 821 H ARG 107 HN ARG 107 -23.852 9.675 0.420 822 HA ARG 107 HA ARG 107 -25.938 10.533 -1.414 823 1HB ARG 107 HB2 ARG 107 -24.425 11.900 -2.444 824 2HB ARG 107 HB1 ARG 107 -23.720 11.777 -0.845 825 1HG ARG 107 HG2 ARG 107 -22.184 10.053 -1.680 826 2HG ARG 107 HG1 ARG 107 -22.913 10.320 -3.277 827 1HD ARG 107 HD2 ARG 107 -21.411 12.461 -1.668 828 2HD ARG 107 HD1 ARG 107 -20.833 11.617 -3.102 829 HE ARG 107 HE ARG 107 -22.929 12.637 -4.040 830 1HH1 ARG 107 1HH1 ARG 107 -21.163 14.289 -1.400 831 2HH1 ARG 107 2HH1 ARG 107 -21.121 15.787 -2.161 832 1HH2 ARG 107 1HH2 ARG 107 -22.879 14.815 -5.082 833 2HH2 ARG 107 2HH2 ARG 107 -22.126 16.103 -4.272 834 H LEU 108 HN LEU 108 -24.041 7.909 -0.587 835 HA LEU 108 HA LEU 108 -24.378 6.347 -3.009 836 1HB LEU 108 HB2 LEU 108 -24.011 5.649 -0.103 837 2HB LEU 108 HB1 LEU 108 -24.638 4.425 -1.174 838 HG LEU 108 HG LEU 108 -22.248 4.051 -0.923 839 1HD1 LEU 108 1HD1 LEU 108 -23.144 3.533 -2.928 840 2HD1 LEU 108 3HD1 LEU 108 -22.747 5.132 -3.573 841 3HD1 LEU 108 2HD1 LEU 108 -21.459 4.050 -3.009 842 1HD2 LEU 108 1HD2 LEU 108 -21.976 6.943 -1.594 843 2HD2 LEU 108 3HD2 LEU 108 -21.492 6.013 -0.152 844 3HD2 LEU 108 2HD2 LEU 108 -20.676 5.733 -1.692 845 H GLU 109 HN GLU 109 -25.975 4.660 -3.287 846 HA GLU 109 HA GLU 109 -28.466 5.875 -3.033 847 1HB GLU 109 HB2 GLU 109 -29.291 3.614 -4.047 848 2HB GLU 109 HB1 GLU 109 -28.437 4.816 -4.991 849 1HG GLU 109 HG2 GLU 109 -27.558 2.827 -5.584 850 2HG GLU 109 HG1 GLU 109 -26.345 3.517 -4.550 851 H SER 110 HN SER 110 -27.588 2.680 -1.754 852 HA SER 110 HA SER 110 -28.718 3.177 0.785 853 1HB SER 110 HB2 SER 110 -30.214 1.246 -1.034 854 2HB SER 110 HB1 SER 110 -30.455 1.384 0.703 855 HG SER 110 HG SER 110 -30.630 3.774 -0.501 856 H HIS 111 HN HIS 111 -28.329 0.339 -1.383 857 HA HIS 111 HA HIS 111 -27.243 -1.093 0.857 858 1HB HIS 111 HB2 HIS 111 -27.994 -2.051 -1.896 859 2HB HIS 111 HB1 HIS 111 -27.303 -3.096 -0.656 860 HD1 HIS 111 HD1 HIS 111 -30.477 -2.652 -1.982 861 HD2 HIS 111 HD2 HIS 111 -28.992 -2.371 1.884 862 HE1 HIS 111 HE1 HIS 111 -32.441 -2.953 -0.456 863 H MET 112 HN MET 112 -25.915 0.390 -1.912 864 HA MET 112 HA MET 112 -23.513 -0.995 -2.250 865 1HB MET 112 HB2 MET 112 -24.289 1.874 -2.470 866 2HB MET 112 HB1 MET 112 -22.626 1.390 -2.742 867 1HG MET 112 HG2 MET 112 -24.899 0.135 -4.237 868 2HG MET 112 HG1 MET 112 -24.211 1.676 -4.743 869 1HE MET 112 HE1 MET 112 -21.765 2.038 -5.361 870 2HE MET 112 HE3 MET 112 -21.115 1.243 -3.932 871 3HE MET 112 HE2 MET 112 -20.531 0.789 -5.534 872 H GLN 113 HN GLN 113 -24.196 1.729 -0.120 873 HA GLN 113 HA GLN 113 -21.612 1.720 0.986 874 1HB GLN 113 HB2 GLN 113 -22.558 3.204 2.738 875 2HB GLN 113 HB1 GLN 113 -22.784 3.798 1.088 876 1HG GLN 113 HG2 GLN 113 -24.961 3.694 1.250 877 2HG GLN 113 HG1 GLN 113 -24.848 2.139 2.129 878 1HE2 GLN 113 1HE2 GLN 113 -25.171 5.570 2.464 879 2HE2 GLN 113 2HE2 GLN 113 -25.374 5.569 4.168 880 H LYS 114 HN LYS 114 -24.661 0.226 1.950 881 HA LYS 114 HA LYS 114 -23.913 -0.588 4.530 882 1HB LYS 114 HB2 LYS 114 -25.785 -2.040 2.675 883 2HB LYS 114 HB1 LYS 114 -25.768 -2.102 4.429 884 1HG LYS 114 HG2 LYS 114 -26.421 0.292 2.756 885 2HG LYS 114 HG1 LYS 114 -27.595 -0.752 3.523 886 1HD LYS 114 HD2 LYS 114 -26.658 -0.109 5.722 887 2HD LYS 114 HD1 LYS 114 -25.515 0.951 4.892 888 1HE LYS 114 HE2 LYS 114 -27.449 2.143 3.878 889 2HE LYS 114 HE1 LYS 114 -28.521 1.181 4.892 890 1HZ LYS 114 HZ2 LYS 114 -26.412 3.034 5.862 891 2HZ LYS 114 HZ1 LYS 114 -28.059 3.346 5.849 892 3HZ LYS 114 HZ3 LYS 114 -27.460 2.136 6.849 893 H ASN 115 HN ASN 115 -23.365 -1.977 1.351 894 HA ASN 115 HA ASN 115 -22.488 -4.493 2.363 895 1HB ASN 115 HB2 ASN 115 -21.995 -3.233 -0.356 896 2HB ASN 115 HB1 ASN 115 -21.522 -4.878 0.069 897 1HD2 ASN 115 1HD2 ASN 115 -23.172 -4.393 -2.076 898 2HD2 ASN 115 2HD2 ASN 115 -24.737 -4.989 -1.682 899 H LEU 116 HN LEU 116 -21.023 -1.482 1.585 900 HA LEU 116 HA LEU 116 -18.336 -2.337 1.913 901 1HB LEU 116 HB2 LEU 116 -19.485 0.437 2.175 902 2HB LEU 116 HB1 LEU 116 -17.812 -0.047 1.894 903 HG LEU 116 HG LEU 116 -19.995 -0.601 -0.133 904 1HD1 LEU 116 1HD1 LEU 116 -19.845 1.792 0.267 905 2HD1 LEU 116 3HD1 LEU 116 -18.114 1.720 -0.066 906 3HD1 LEU 116 2HD1 LEU 116 -19.278 1.307 -1.322 907 1HD2 LEU 116 1HD2 LEU 116 -17.950 -1.966 -0.277 908 2HD2 LEU 116 3HD2 LEU 116 -18.111 -0.854 -1.637 909 3HD2 LEU 116 2HD2 LEU 116 -16.987 -0.487 -0.329 910 H LEU 117 HN LEU 117 -20.844 -1.119 4.058 911 HA LEU 117 HA LEU 117 -19.340 -0.648 6.378 912 1HB LEU 117 HB2 LEU 117 -22.152 -1.738 6.245 913 2HB LEU 117 HB1 LEU 117 -21.399 -1.002 7.638 914 HG LEU 117 HG LEU 117 -22.219 0.356 5.086 915 1HD1 LEU 117 3HD1 LEU 117 -24.047 -0.150 6.615 916 2HD1 LEU 117 2HD1 LEU 117 -23.184 0.660 7.916 917 3HD1 LEU 117 1HD1 LEU 117 -23.747 1.587 6.525 918 1HD2 LEU 117 2HD2 LEU 117 -20.821 1.514 7.483 919 2HD2 LEU 117 1HD2 LEU 117 -20.165 1.310 5.847 920 3HD2 LEU 117 3HD2 LEU 117 -21.511 2.416 6.119 921 H LYS 118 HN LYS 118 -20.839 -3.662 5.156 922 HA LYS 118 HA LYS 118 -19.949 -5.279 7.360 923 1HB LYS 118 HB2 LYS 118 -20.490 -6.142 4.560 924 2HB LYS 118 HB1 LYS 118 -20.626 -7.080 6.033 925 1HG LYS 118 HG2 LYS 118 -22.536 -5.861 6.701 926 2HG LYS 118 HG1 LYS 118 -22.351 -4.760 5.325 927 1HD LYS 118 HD2 LYS 118 -22.559 -6.634 3.813 928 2HD LYS 118 HD1 LYS 118 -22.713 -7.699 5.205 929 1HE LYS 118 HE2 LYS 118 -24.913 -7.348 4.420 930 2HE LYS 118 HE1 LYS 118 -24.754 -6.268 5.806 931 1HZ LYS 118 HZ1 LYS 118 -24.208 -4.474 4.164 932 2HZ LYS 118 HZ3 LYS 118 -24.641 -5.577 2.931 933 3HZ LYS 118 HZ2 LYS 118 -25.781 -5.092 4.061 934 H GLY 119 HN GLY 119 -18.831 -4.287 4.279 935 1HA GLY 119 HA1 GLY 119 -16.266 -5.597 4.692 936 2HA GLY 119 HA2 GLY 119 -16.629 -4.319 3.520 937 H ILE 120 HN ILE 120 -16.183 -5.382 1.675 938 HA ILE 120 HA ILE 120 -18.157 -7.237 0.764 939 HB ILE 120 HB ILE 120 -15.524 -6.656 -0.650 940 1HG1 ILE 120 2HG1 ILE 120 -16.474 -4.487 -0.132 941 2HG1 ILE 120 1HG1 ILE 120 -16.743 -4.818 -1.837 942 1HG2 ILE 120 2HG2 ILE 120 -16.878 -8.476 -1.596 943 2HG2 ILE 120 1HG2 ILE 120 -18.267 -7.391 -1.695 944 3HG2 ILE 120 3HG2 ILE 120 -16.840 -7.091 -2.686 945 1HD1 ILE 120 2HD1 ILE 120 -19.060 -5.510 -1.271 946 2HD1 ILE 120 1HD1 ILE 120 -18.736 -5.023 0.393 947 3HD1 ILE 120 3HD1 ILE 120 -18.723 -3.815 -0.895 948 HA PRO 121 HA PRO 121 -16.034 -10.717 2.462 949 1HB PRO 121 HB2 PRO 121 -17.485 -12.732 1.398 950 2HB PRO 121 HB1 PRO 121 -18.075 -11.706 2.705 951 1HG PRO 121 HG2 PRO 121 -18.708 -11.598 -0.209 952 2HG PRO 121 HG1 PRO 121 -19.772 -11.323 1.178 953 1HD PRO 121 HD2 PRO 121 -18.651 -9.325 -0.337 954 2HD PRO 121 HD1 PRO 121 -19.165 -9.128 1.349 955 H PHE 122 HN PHE 122 -15.847 -9.956 -0.748 956 HA PHE 122 HA PHE 122 -13.520 -11.486 -1.220 957 1HB PHE 122 HB2 PHE 122 -14.363 -12.871 -3.142 958 2HB PHE 122 HB1 PHE 122 -14.947 -13.394 -1.569 959 HD1 PHE 122 HD1 PHE 122 -17.274 -13.250 -1.026 960 HD2 PHE 122 HD2 PHE 122 -15.852 -11.856 -4.757 961 HE1 PHE 122 HE1 PHE 122 -19.578 -13.181 -1.864 962 HE2 PHE 122 HE2 PHE 122 -18.169 -11.779 -5.615 963 HZ PHE 122 HZ PHE 122 -20.026 -12.442 -4.163 964 H ARG 123 HN ARG 123 -12.334 -10.703 -2.882 965 HA ARG 123 HA ARG 123 -13.516 -9.013 -4.908 966 1HB ARG 123 HB2 ARG 123 -11.564 -7.933 -2.859 967 2HB ARG 123 HB1 ARG 123 -11.823 -7.183 -4.415 968 1HG ARG 123 HG2 ARG 123 -13.981 -7.546 -2.337 969 2HG ARG 123 HG1 ARG 123 -12.979 -6.107 -2.473 970 1HD ARG 123 HD2 ARG 123 -15.054 -5.645 -3.582 971 2HD ARG 123 HD1 ARG 123 -13.831 -5.849 -4.830 972 HE ARG 123 HE ARG 123 -15.142 -8.290 -4.319 973 1HH1 ARG 123 1HH1 ARG 123 -15.867 -5.130 -5.784 974 2HH1 ARG 123 2HH1 ARG 123 -16.925 -5.751 -6.940 975 1HH2 ARG 123 1HH2 ARG 123 -16.647 -9.136 -5.940 976 2HH2 ARG 123 2HH2 ARG 123 -17.399 -8.053 -7.008 977 H THR 124 HN THR 124 -12.197 -8.848 -6.681 978 HA THR 124 HA THR 124 -9.600 -10.208 -6.558 979 HB THR 124 HB THR 124 -11.195 -9.697 -9.092 980 HG1 THR 124 HG1 THR 124 -12.625 -10.804 -7.835 981 1HG2 THR 124 2HG2 THR 124 -9.250 -11.848 -8.261 982 2HG2 THR 124 1HG2 THR 124 -9.985 -11.664 -9.867 983 3HG2 THR 124 3HG2 THR 124 -8.904 -10.416 -9.242 984 H LYS 125 HN LYS 125 -8.032 -9.031 -8.435 985 HA LYS 125 HA LYS 125 -7.816 -6.449 -7.381 986 1HB LYS 125 HB2 LYS 125 -5.845 -6.159 -8.769 987 2HB LYS 125 HB1 LYS 125 -5.851 -7.728 -8.002 988 1HG LYS 125 HG2 LYS 125 -5.035 -8.166 -10.142 989 2HG LYS 125 HG1 LYS 125 -6.727 -8.626 -10.236 990 1HD LYS 125 HD2 LYS 125 -6.108 -7.420 -12.233 991 2HD LYS 125 HD1 LYS 125 -7.220 -6.427 -11.287 992 1HE LYS 125 HE2 LYS 125 -5.310 -5.161 -10.402 993 2HE LYS 125 HE1 LYS 125 -4.225 -6.187 -11.342 994 1HZ LYS 125 HZ3 LYS 125 -5.507 -5.321 -13.353 995 2HZ LYS 125 HZ2 LYS 125 -6.194 -4.189 -12.291 996 3HZ LYS 125 HZ1 LYS 125 -4.554 -4.167 -12.555 997 H ALA 126 HN ALA 126 -9.230 -7.568 -10.380 998 HA ALA 126 HA ALA 126 -9.315 -4.967 -11.536 999 1HB ALA 126 HB1 ALA 126 -10.890 -7.450 -12.208 1000 2HB ALA 126 HB3 ALA 126 -10.776 -6.001 -13.209 1001 3HB ALA 126 HB2 ALA 126 -9.342 -6.989 -12.914 1002 H GLU 127 HN GLU 127 -11.185 -6.800 -9.381 1003 HA GLU 127 HA GLU 127 -13.565 -5.229 -9.755 1004 1HB GLU 127 HB2 GLU 127 -12.984 -7.050 -7.464 1005 2HB GLU 127 HB1 GLU 127 -14.552 -6.597 -8.132 1006 1HG GLU 127 HG2 GLU 127 -13.692 -7.725 -10.291 1007 2HG GLU 127 HG1 GLU 127 -12.468 -8.352 -9.255 1008 H PHE 128 HN PHE 128 -10.801 -5.314 -7.663 1009 HA PHE 128 HA PHE 128 -11.667 -3.582 -5.653 1010 1HB PHE 128 HB2 PHE 128 -9.656 -4.871 -5.362 1011 2HB PHE 128 HB1 PHE 128 -8.934 -4.175 -6.806 1012 HD1 PHE 128 HD1 PHE 128 -7.996 -2.009 -6.798 1013 HD2 PHE 128 HD2 PHE 128 -9.797 -3.604 -3.315 1014 HE1 PHE 128 HE1 PHE 128 -6.984 -0.195 -5.457 1015 HE2 PHE 128 HE2 PHE 128 -8.811 -1.801 -1.953 1016 HZ PHE 128 HZ PHE 128 -7.406 -0.090 -3.027 1017 H GLU 129 HN GLU 129 -9.802 -2.919 -8.597 1018 HA GLU 129 HA GLU 129 -9.874 -0.127 -8.285 1019 1HB GLU 129 HB2 GLU 129 -9.242 -0.165 -10.788 1020 2HB GLU 129 HB1 GLU 129 -8.140 -0.941 -9.657 1021 1HG GLU 129 HG2 GLU 129 -9.058 -3.095 -10.203 1022 2HG GLU 129 HG1 GLU 129 -10.219 -2.358 -11.288 1023 H ASP 130 HN ASP 130 -12.104 -2.385 -9.616 1024 HA ASP 130 HA ASP 130 -13.733 -0.610 -11.135 1025 1HB ASP 130 HB2 ASP 130 -13.690 -3.053 -11.417 1026 2HB ASP 130 HB1 ASP 130 -14.395 -3.226 -9.835 1027 H VAL 131 HN VAL 131 -13.926 -1.921 -7.900 1028 HA VAL 131 HA VAL 131 -16.322 -0.472 -7.310 1029 HB VAL 131 HB VAL 131 -15.913 -2.574 -6.073 1030 1HG1 VAL 131 1HG1 VAL 131 -13.526 -2.489 -5.967 1031 2HG1 VAL 131 3HG1 VAL 131 -13.603 -1.195 -4.775 1032 3HG1 VAL 131 2HG1 VAL 131 -14.237 -2.796 -4.379 1033 1HG2 VAL 131 3HG2 VAL 131 -15.881 -0.205 -4.236 1034 2HG2 VAL 131 2HG2 VAL 131 -17.316 -0.944 -4.968 1035 3HG2 VAL 131 1HG2 VAL 131 -16.343 -1.850 -3.794 1036 H ILE 132 HN ILE 132 -12.899 0.102 -6.746 1037 HA ILE 132 HA ILE 132 -13.251 2.397 -5.190 1038 HB ILE 132 HB ILE 132 -10.975 1.090 -6.559 1039 1HG1 ILE 132 2HG1 ILE 132 -9.835 1.477 -4.413 1040 2HG1 ILE 132 1HG1 ILE 132 -11.169 2.478 -3.872 1041 1HG2 ILE 132 1HG2 ILE 132 -10.737 3.281 -7.508 1042 2HG2 ILE 132 3HG2 ILE 132 -10.757 4.016 -5.906 1043 3HG2 ILE 132 2HG2 ILE 132 -9.422 2.948 -6.370 1044 1HD1 ILE 132 3HD1 ILE 132 -11.302 -0.478 -4.462 1045 2HD1 ILE 132 2HD1 ILE 132 -11.233 0.259 -2.864 1046 3HD1 ILE 132 1HD1 ILE 132 -12.634 0.526 -3.894 1047 H GLU 133 HN GLU 133 -13.126 1.972 -8.702 1048 HA GLU 133 HA GLU 133 -13.090 4.740 -9.208 1049 1HB GLU 133 HB2 GLU 133 -13.665 4.224 -11.506 1050 2HB GLU 133 HB1 GLU 133 -12.385 3.169 -10.943 1051 1HG GLU 133 HG2 GLU 133 -14.064 1.423 -10.554 1052 2HG GLU 133 HG1 GLU 133 -15.264 2.518 -11.237 1053 H HIS 134 HN HIS 134 -15.545 2.582 -8.301 1054 HA HIS 134 HA HIS 134 -17.816 4.159 -9.133 1055 1HB HIS 134 HB2 HIS 134 -17.587 1.593 -8.632 1056 2HB HIS 134 HB1 HIS 134 -17.813 2.074 -6.961 1057 HD1 HIS 134 HD1 HIS 134 -19.775 0.293 -8.871 1058 HD2 HIS 134 HD2 HIS 134 -20.321 4.218 -7.607 1059 HE1 HIS 134 HE1 HIS 134 -22.243 0.712 -8.969 1060 H MET 135 HN MET 135 -15.949 3.605 -6.278 1061 HA MET 135 HA MET 135 -17.344 5.211 -4.385 1062 1HB MET 135 HB2 MET 135 -14.406 4.525 -4.456 1063 2HB MET 135 HB1 MET 135 -15.264 5.180 -3.082 1064 1HG MET 135 HG2 MET 135 -15.788 2.487 -4.323 1065 2HG MET 135 HG1 MET 135 -14.774 2.755 -2.921 1066 1HE MET 135 HE2 MET 135 -18.266 1.947 -4.212 1067 2HE MET 135 HE1 MET 135 -19.358 2.626 -3.014 1068 3HE MET 135 HE3 MET 135 -18.544 3.690 -4.162 1069 H LYS 136 HN LYS 136 -14.569 5.934 -6.468 1070 HA LYS 136 HA LYS 136 -14.326 8.644 -5.551 1071 1HB LYS 136 HB2 LYS 136 -12.713 8.992 -7.367 1072 2HB LYS 136 HB1 LYS 136 -12.372 7.498 -6.510 1073 1HG LYS 136 HG2 LYS 136 -13.491 6.257 -8.255 1074 2HG LYS 136 HG1 LYS 136 -13.792 7.739 -9.142 1075 1HD LYS 136 HD2 LYS 136 -11.828 6.545 -10.045 1076 2HD LYS 136 HD1 LYS 136 -11.385 8.120 -9.393 1077 1HE LYS 136 HE2 LYS 136 -10.489 7.138 -7.425 1078 2HE LYS 136 HE1 LYS 136 -11.135 5.554 -7.835 1079 1HZ LYS 136 HZ1 LYS 136 -9.066 7.029 -9.389 1080 2HZ LYS 136 HZ3 LYS 136 -8.711 5.813 -8.297 1081 3HZ LYS 136 HZ2 LYS 136 -9.574 5.461 -9.701 1082 H THR 137 HN THR 137 -16.342 7.061 -7.680 1083 HA THR 137 HA THR 137 -17.025 9.175 -9.332 1084 HB THR 137 HB THR 137 -17.564 6.435 -8.792 1085 HG1 THR 137 HG1 THR 137 -16.750 6.446 -10.565 1086 1HG2 THR 137 1HG2 THR 137 -19.952 8.017 -9.682 1087 2HG2 THR 137 3HG2 THR 137 -19.759 6.228 -9.777 1088 3HG2 THR 137 2HG2 THR 137 -19.631 7.041 -8.214 1089 H TYR 138 HN TYR 138 -17.807 8.323 -6.005 1090 HA TYR 138 HA TYR 138 -20.002 10.169 -6.015 1091 1HB TYR 138 HB2 TYR 138 -18.791 8.427 -3.847 1092 2HB TYR 138 HB1 TYR 138 -20.084 9.593 -3.527 1093 HD1 TYR 138 HD1 TYR 138 -22.086 9.474 -4.935 1094 HD2 TYR 138 HD2 TYR 138 -19.389 6.235 -4.619 1095 HE1 TYR 138 HE1 TYR 138 -23.798 7.959 -5.889 1096 HE2 TYR 138 HE2 TYR 138 -21.007 4.745 -5.586 1097 HH TYR 138 HH TYR 138 -23.879 5.925 -7.059 1098 H SER 139 HN SER 139 -16.866 9.804 -4.441 1099 HA SER 139 HA SER 139 -15.420 11.270 -3.515 1100 1HB SER 139 HB2 SER 139 -14.730 13.077 -5.038 1101 2HB SER 139 HB1 SER 139 -14.873 11.524 -5.834 1102 HG SER 139 HG SER 139 -17.240 12.744 -6.020 1103 H GLY 140 HN GLY 140 -18.146 11.659 -2.588 1104 1HA GLY 140 HA1 GLY 140 -19.457 13.153 -1.445 1105 2HA GLY 140 HA2 GLY 140 -18.700 14.438 -2.372 No H/Q in entry = 1105 Start of MODEL 20 1 H1 ALA 1 HT2 ALA 1 28.403 10.394 11.324 2 H2 ALA 1 HT1 ALA 1 27.710 11.728 10.525 3 H3 ALA 1 HT3 ALA 1 27.152 10.156 10.233 4 HA ALA 1 HA ALA 1 28.523 10.823 8.430 5 1HB ALA 1 HB3 ALA 1 30.656 11.154 10.552 6 2HB ALA 1 HB2 ALA 1 30.906 11.275 8.814 7 3HB ALA 1 HB1 ALA 1 29.899 12.460 9.642 8 H GLU 2 HN GLU 2 30.569 9.404 7.788 9 HA GLU 2 HA GLU 2 30.765 6.977 9.309 10 1HB GLU 2 HB2 GLU 2 28.818 6.607 7.734 11 2HB GLU 2 HB1 GLU 2 29.896 6.954 6.395 12 1HG GLU 2 HG2 GLU 2 29.509 4.532 6.749 13 2HG GLU 2 HG1 GLU 2 31.206 5.000 6.846 14 H VAL 3 HN VAL 3 32.643 5.830 8.659 15 HA VAL 3 HA VAL 3 34.533 7.663 7.458 16 HB VAL 3 HB VAL 3 36.326 6.147 8.225 17 1HG1 VAL 3 2HG1 VAL 3 35.573 8.004 9.593 18 2HG1 VAL 3 1HG1 VAL 3 34.392 6.967 10.385 19 3HG1 VAL 3 3HG1 VAL 3 36.124 6.669 10.597 20 1HG2 VAL 3 1HG2 VAL 3 35.098 4.051 8.162 21 2HG2 VAL 3 3HG2 VAL 3 35.799 4.300 9.758 22 3HG2 VAL 3 2HG2 VAL 3 34.075 4.583 9.502 23 H GLU 4 HN GLU 4 36.156 6.806 6.032 24 HA GLU 4 HA GLU 4 34.779 5.318 3.969 25 1HB GLU 4 HB2 GLU 4 37.204 7.100 3.860 26 2HB GLU 4 HB1 GLU 4 36.519 6.266 2.465 27 1HG GLU 4 HG2 GLU 4 34.475 7.500 2.645 28 2HG GLU 4 HG1 GLU 4 34.987 8.212 4.169 29 H HIS 5 HN HIS 5 35.052 3.279 4.329 30 HA HIS 5 HA HIS 5 37.777 2.280 4.690 31 1HB HIS 5 HB2 HIS 5 36.642 0.211 5.678 32 2HB HIS 5 HB1 HIS 5 36.723 1.651 6.673 33 HD1 HIS 5 HD1 HIS 5 34.063 0.125 4.232 34 HD2 HIS 5 HD2 HIS 5 34.386 2.061 7.909 35 HE1 HIS 5 HE1 HIS 5 31.759 0.291 5.134 36 H TYR 6 HN TYR 6 38.025 -0.015 3.974 37 HA TYR 6 HA TYR 6 37.145 -0.165 1.223 38 1HB TYR 6 HB2 TYR 6 39.071 -1.811 2.849 39 2HB TYR 6 HB1 TYR 6 38.831 -1.962 1.111 40 HD1 TYR 6 HD1 TYR 6 40.050 0.329 3.776 41 HD2 TYR 6 HD2 TYR 6 39.967 -0.505 -0.399 42 HE1 TYR 6 HE1 TYR 6 41.777 2.034 3.406 43 HE2 TYR 6 HE2 TYR 6 41.689 1.211 -0.779 44 HH TYR 6 HH TYR 6 43.456 2.547 1.790 45 H GLU 7 HN GLU 7 36.332 -1.287 4.217 46 HA GLU 7 HA GLU 7 35.241 -3.847 3.655 47 1HB GLU 7 HB2 GLU 7 34.614 -1.853 5.835 48 2HB GLU 7 HB1 GLU 7 34.067 -3.521 5.829 49 1HG GLU 7 HG2 GLU 7 36.906 -2.561 5.930 50 2HG GLU 7 HG1 GLU 7 35.983 -3.278 7.254 51 HA PRO 8 HA PRO 8 31.383 -2.730 1.774 52 1HB PRO 8 HB2 PRO 8 29.665 -4.513 2.769 53 2HB PRO 8 HB1 PRO 8 30.889 -4.961 1.587 54 1HG PRO 8 HG2 PRO 8 30.953 -5.302 4.566 55 2HG PRO 8 HG1 PRO 8 31.427 -6.459 3.303 56 1HD PRO 8 HD2 PRO 8 33.236 -4.987 4.646 57 2HD PRO 8 HD1 PRO 8 33.454 -5.408 2.935 58 H LEU 9 HN LEU 9 28.983 -2.425 2.394 59 HA LEU 9 HA LEU 9 28.951 -0.733 4.827 60 1HB LEU 9 HB2 LEU 9 28.811 0.126 2.197 61 2HB LEU 9 HB1 LEU 9 27.158 -0.185 2.553 62 HG LEU 9 HG LEU 9 27.758 2.200 2.837 63 1HD1 LEU 9 2HD1 LEU 9 26.788 0.867 5.355 64 2HD1 LEU 9 1HD1 LEU 9 26.626 2.578 4.943 65 3HD1 LEU 9 3HD1 LEU 9 25.806 1.361 3.970 66 1HD2 LEU 9 3HD2 LEU 9 30.007 1.911 3.719 67 2HD2 LEU 9 2HD2 LEU 9 29.023 2.914 4.785 68 3HD2 LEU 9 1HD2 LEU 9 29.343 1.229 5.203 69 H GLN 10 HN GLN 10 27.579 -1.650 6.277 70 HA GLN 10 HA GLN 10 25.492 -3.442 5.541 71 1HB GLN 10 HB2 GLN 10 26.319 -2.160 8.112 72 2HB GLN 10 HB1 GLN 10 24.797 -3.037 8.018 73 1HG GLN 10 HG2 GLN 10 26.078 -5.020 7.358 74 2HG GLN 10 HG1 GLN 10 27.574 -4.101 7.545 75 1HE2 GLN 10 1HE2 GLN 10 26.591 -6.507 8.971 76 2HE2 GLN 10 2HE2 GLN 10 26.625 -6.066 10.634 77 H VAL 11 HN VAL 11 23.889 -2.696 4.448 78 HA VAL 11 HA VAL 11 22.636 -0.137 5.162 79 HB VAL 11 HB VAL 11 22.050 -1.775 2.739 80 1HG1 VAL 11 2HG1 VAL 11 21.750 1.140 3.302 81 2HG1 VAL 11 1HG1 VAL 11 21.396 0.343 1.763 82 3HG1 VAL 11 3HG1 VAL 11 20.484 -0.092 3.206 83 1HG2 VAL 11 3HG2 VAL 11 24.275 0.248 2.964 84 2HG2 VAL 11 2HG2 VAL 11 24.390 -1.488 2.607 85 3HG2 VAL 11 1HG2 VAL 11 23.640 -0.414 1.444 86 H HIS 12 HN HIS 12 20.832 -0.386 6.280 87 HA HIS 12 HA HIS 12 19.315 -2.854 6.032 88 1HB HIS 12 HB2 HIS 12 19.026 -0.548 7.976 89 2HB HIS 12 HB1 HIS 12 18.045 -2.018 7.969 90 HD1 HIS 12 HD1 HIS 12 18.980 -4.021 9.289 91 HD2 HIS 12 HD2 HIS 12 21.774 -0.986 8.721 92 HE1 HIS 12 HE1 HIS 12 20.968 -4.621 10.705 93 H VAL 13 HN VAL 13 17.958 -2.794 4.448 94 HA VAL 13 HA VAL 13 16.803 -0.250 3.609 95 HB VAL 13 HB VAL 13 16.243 -1.337 1.521 96 1HG1 VAL 13 2HG1 VAL 13 18.390 -0.261 1.714 97 2HG1 VAL 13 1HG1 VAL 13 19.103 -1.774 2.286 98 3HG1 VAL 13 3HG1 VAL 13 18.487 -1.664 0.639 99 1HG2 VAL 13 2HG2 VAL 13 15.912 -3.613 2.283 100 2HG2 VAL 13 1HG2 VAL 13 17.071 -3.568 0.952 101 3HG2 VAL 13 3HG2 VAL 13 17.650 -3.751 2.611 102 H GLN 14 HN GLN 14 14.911 0.199 3.848 103 HA GLN 14 HA GLN 14 13.037 -1.858 4.785 104 1HB GLN 14 HB2 GLN 14 13.213 0.247 6.150 105 2HB GLN 14 HB1 GLN 14 12.658 1.158 4.752 106 1HG GLN 14 HG2 GLN 14 10.539 -0.072 4.794 107 2HG GLN 14 HG1 GLN 14 11.101 -0.990 6.187 108 1HE2 GLN 14 1HE2 GLN 14 9.874 2.025 5.059 109 2HE2 GLN 14 2HE2 GLN 14 9.610 2.740 6.605 110 H LEU 15 HN LEU 15 11.950 -2.765 3.204 111 HA LEU 15 HA LEU 15 11.703 -1.288 0.709 112 1HB LEU 15 HB2 LEU 15 11.132 -4.188 1.224 113 2HB LEU 15 HB1 LEU 15 11.309 -3.409 -0.305 114 HG LEU 15 HG LEU 15 13.555 -3.783 1.666 115 1HD1 LEU 15 2HD1 LEU 15 12.931 -5.233 -0.893 116 2HD1 LEU 15 1HD1 LEU 15 14.414 -5.385 0.050 117 3HD1 LEU 15 3HD1 LEU 15 12.882 -5.891 0.746 118 1HD2 LEU 15 1HD2 LEU 15 13.570 -2.723 -1.165 119 2HD2 LEU 15 3HD2 LEU 15 13.874 -1.785 0.300 120 3HD2 LEU 15 2HD2 LEU 15 14.998 -3.055 -0.187 121 H GLU 16 HN GLU 16 9.798 -0.355 0.380 122 HA GLU 16 HA GLU 16 7.397 -1.376 1.729 123 1HB GLU 16 HB2 GLU 16 7.762 1.068 -0.009 124 2HB GLU 16 HB1 GLU 16 6.313 0.646 0.872 125 1HG GLU 16 HG2 GLU 16 7.465 1.031 2.972 126 2HG GLU 16 HG1 GLU 16 8.951 1.419 2.098 127 H LYS 17 HN LYS 17 5.836 -2.330 0.552 128 HA LYS 17 HA LYS 17 6.243 -2.365 -2.356 129 1HB LYS 17 HB2 LYS 17 5.138 -4.584 -0.626 130 2HB LYS 17 HB1 LYS 17 5.210 -4.620 -2.380 131 1HG LYS 17 HG2 LYS 17 7.677 -4.492 -2.257 132 2HG LYS 17 HG1 LYS 17 7.563 -4.541 -0.501 133 1HD LYS 17 HD2 LYS 17 6.515 -6.733 -0.600 134 2HD LYS 17 HD1 LYS 17 6.539 -6.678 -2.362 135 1HE LYS 17 HE2 LYS 17 8.982 -6.601 -2.328 136 2HE LYS 17 HE1 LYS 17 8.962 -6.641 -0.567 137 1HZ LYS 17 HZ2 LYS 17 7.900 -8.793 -2.325 138 2HZ LYS 17 HZ1 LYS 17 9.385 -8.825 -1.526 139 3HZ LYS 17 HZ3 LYS 17 7.955 -8.812 -0.647 140 H VAL 18 HN VAL 18 4.754 -1.072 -3.170 141 HA VAL 18 HA VAL 18 2.446 -0.538 -1.488 142 HB VAL 18 HB VAL 18 3.052 0.958 -4.022 143 1HG1 VAL 18 2HG1 VAL 18 1.609 1.744 -1.526 144 2HG1 VAL 18 1HG1 VAL 18 1.921 2.794 -2.908 145 3HG1 VAL 18 3HG1 VAL 18 0.907 1.362 -3.100 146 1HG2 VAL 18 2HG2 VAL 18 4.291 1.502 -1.317 147 2HG2 VAL 18 1HG2 VAL 18 5.125 1.049 -2.809 148 3HG2 VAL 18 3HG2 VAL 18 4.324 2.612 -2.693 149 H TYR 19 HN TYR 19 1.082 -2.170 -1.858 150 HA TYR 19 HA TYR 19 0.396 -2.786 -4.571 151 1HB TYR 19 HB2 TYR 19 -0.569 -3.814 -1.911 152 2HB TYR 19 HB1 TYR 19 -1.164 -4.403 -3.461 153 HD1 TYR 19 HD1 TYR 19 0.365 -5.493 -4.998 154 HD2 TYR 19 HD2 TYR 19 1.550 -4.526 -1.066 155 HE1 TYR 19 HE1 TYR 19 2.247 -7.066 -5.211 156 HE2 TYR 19 HE2 TYR 19 3.438 -6.106 -1.226 157 HH TYR 19 HH TYR 19 4.439 -7.365 -4.206 158 H LEU 20 HN LEU 20 -1.408 -2.104 -5.564 159 HA LEU 20 HA LEU 20 -2.364 0.385 -4.698 160 1HB LEU 20 HB2 LEU 20 -3.886 0.447 -6.580 161 2HB LEU 20 HB1 LEU 20 -2.300 -0.078 -7.078 162 HG LEU 20 HG LEU 20 -4.511 -2.081 -6.600 163 1HD1 LEU 20 1HD1 LEU 20 -3.911 -0.574 -9.143 164 2HD1 LEU 20 3HD1 LEU 20 -5.006 -1.947 -8.991 165 3HD1 LEU 20 2HD1 LEU 20 -5.379 -0.433 -8.168 166 1HD2 LEU 20 1HD2 LEU 20 -2.063 -2.057 -8.360 167 2HD2 LEU 20 3HD2 LEU 20 -2.256 -2.958 -6.854 168 3HD2 LEU 20 2HD2 LEU 20 -3.244 -3.356 -8.258 169 H ASP 21 HN ASP 21 -3.395 -2.650 -3.737 170 HA ASP 21 HA ASP 21 -6.162 -1.899 -3.298 171 1HB ASP 21 HB2 ASP 21 -6.467 -4.034 -2.315 172 2HB ASP 21 HB1 ASP 21 -5.449 -4.264 -3.726 173 H GLY 22 HN GLY 22 -3.262 -1.263 -1.748 174 1HA GLY 22 HA1 GLY 22 -4.827 -0.421 0.584 175 2HA GLY 22 HA2 GLY 22 -3.486 0.483 -0.087 176 H ASP 23 HN ASP 23 -2.931 -2.868 0.037 177 HA ASP 23 HA ASP 23 -1.745 -2.651 2.683 178 1HB ASP 23 HB2 ASP 23 -2.959 -4.719 2.261 179 2HB ASP 23 HB1 ASP 23 -1.980 -5.039 0.836 180 H VAL 24 HN VAL 24 0.291 -2.243 3.025 181 HA VAL 24 HA VAL 24 2.097 -2.432 0.721 182 HB VAL 24 HB VAL 24 2.492 -0.595 3.102 183 1HG1 VAL 24 1HG1 VAL 24 3.853 -0.671 0.451 184 2HG1 VAL 24 3HG1 VAL 24 4.113 0.538 1.708 185 3HG1 VAL 24 2HG1 VAL 24 4.525 -1.152 2.008 186 1HG2 VAL 24 2HG2 VAL 24 1.341 0.089 0.400 187 2HG2 VAL 24 1HG2 VAL 24 0.477 0.137 1.933 188 3HG2 VAL 24 3HG2 VAL 24 1.800 1.272 1.631 189 H SER 25 HN SER 25 3.405 -4.057 0.947 190 HA SER 25 HA SER 25 3.845 -5.276 3.521 191 1HB SER 25 HB2 SER 25 3.622 -6.681 1.452 192 2HB SER 25 HB1 SER 25 5.091 -5.946 0.830 193 HG SER 25 HG SER 25 4.960 -7.397 3.271 194 H ILE 26 HN ILE 26 5.275 -4.624 4.868 195 HA ILE 26 HA ILE 26 7.475 -2.977 3.906 196 HB ILE 26 HB ILE 26 6.414 -3.402 6.706 197 1HG1 ILE 26 2HG1 ILE 26 4.811 -2.156 5.393 198 2HG1 ILE 26 1HG1 ILE 26 5.600 -1.054 6.518 199 1HG2 ILE 26 2HG2 ILE 26 8.488 -1.458 5.689 200 2HG2 ILE 26 1HG2 ILE 26 7.842 -1.485 7.332 201 3HG2 ILE 26 3HG2 ILE 26 8.791 -2.851 6.733 202 1HD1 ILE 26 2HD1 ILE 26 7.023 -0.255 4.696 203 2HD1 ILE 26 1HD1 ILE 26 6.186 -1.346 3.589 204 3HD1 ILE 26 3HD1 ILE 26 5.305 -0.024 4.353 205 H GLU 27 HN GLU 27 9.300 -3.919 3.649 206 HA GLU 27 HA GLU 27 9.907 -6.460 5.022 207 1HB GLU 27 HB2 GLU 27 9.687 -6.242 2.442 208 2HB GLU 27 HB1 GLU 27 11.188 -5.330 2.608 209 1HG GLU 27 HG2 GLU 27 11.868 -7.410 2.039 210 2HG GLU 27 HG1 GLU 27 12.136 -7.292 3.770 211 H HIS 28 HN HIS 28 12.027 -6.601 5.876 212 HA HIS 28 HA HIS 28 13.664 -4.174 5.791 213 1HB HIS 28 HB2 HIS 28 13.159 -5.932 8.214 214 2HB HIS 28 HB1 HIS 28 14.438 -4.734 8.128 215 HD1 HIS 28 HD1 HIS 28 13.728 -2.776 9.566 216 HD2 HIS 28 HD2 HIS 28 10.637 -4.394 7.353 217 HE1 HIS 28 HE1 HIS 28 11.707 -1.437 10.177 218 H LYS 29 HN LYS 29 15.472 -4.616 4.899 219 HA LYS 29 HA LYS 29 16.620 -7.304 5.235 220 1HB LYS 29 HB2 LYS 29 16.775 -5.507 2.872 221 2HB LYS 29 HB1 LYS 29 17.821 -6.882 3.086 222 1HG LYS 29 HG2 LYS 29 15.467 -8.124 3.212 223 2HG LYS 29 HG1 LYS 29 14.984 -6.694 2.298 224 1HD LYS 29 HD2 LYS 29 17.332 -8.404 1.684 225 2HD LYS 29 HD1 LYS 29 15.785 -8.515 0.807 226 1HE LYS 29 HE2 LYS 29 16.115 -6.200 0.005 227 2HE LYS 29 HE1 LYS 29 17.581 -6.061 0.965 228 1HZ LYS 29 HZ1 LYS 29 17.187 -7.908 -1.323 229 2HZ LYS 29 HZ3 LYS 29 18.032 -6.449 -1.351 230 3HZ LYS 29 HZ2 LYS 29 18.611 -7.695 -0.413 231 H HIS 30 HN HIS 30 18.791 -7.386 5.322 232 HA HIS 30 HA HIS 30 20.199 -4.851 5.604 233 1HB HIS 30 HB2 HIS 30 21.687 -5.919 7.353 234 2HB HIS 30 HB1 HIS 30 20.027 -5.627 7.848 235 HD1 HIS 30 HD1 HIS 30 18.644 -7.673 8.551 236 HD2 HIS 30 HD2 HIS 30 22.398 -8.635 7.069 237 HE1 HIS 30 HE1 HIS 30 18.987 -10.111 9.056 238 H GLU 31 HN GLU 31 21.639 -4.603 4.011 239 HA GLU 31 HA GLU 31 23.047 -7.042 3.242 240 1HB GLU 31 HB2 GLU 31 22.962 -6.363 0.875 241 2HB GLU 31 HB1 GLU 31 21.373 -6.655 1.578 242 1HG GLU 31 HG2 GLU 31 21.137 -4.197 1.822 243 2HG GLU 31 HG1 GLU 31 22.620 -4.052 0.866 244 H LYS 32 HN LYS 32 25.162 -6.884 2.811 245 HA LYS 32 HA LYS 32 26.352 -4.318 3.439 246 1HB LYS 32 HB2 LYS 32 27.492 -7.090 3.377 247 2HB LYS 32 HB1 LYS 32 28.460 -5.659 3.601 248 1HG LYS 32 HG2 LYS 32 27.155 -5.146 5.601 249 2HG LYS 32 HG1 LYS 32 26.329 -6.688 5.494 250 1HD LYS 32 HD2 LYS 32 29.236 -6.088 6.025 251 2HD LYS 32 HD1 LYS 32 28.125 -7.056 6.988 252 1HE LYS 32 HE2 LYS 32 28.090 -8.723 5.107 253 2HE LYS 32 HE1 LYS 32 29.313 -7.729 4.325 254 1HZ LYS 32 HZ1 LYS 32 30.774 -8.091 6.232 255 2HZ LYS 32 HZ3 LYS 32 29.647 -9.124 6.935 256 3HZ LYS 32 HZ2 LYS 32 30.387 -9.525 5.481 257 H VAL 33 HN VAL 33 26.786 -3.180 1.812 258 HA VAL 33 HA VAL 33 27.667 -4.519 -0.614 259 HB VAL 33 HB VAL 33 25.646 -3.714 -1.345 260 1HG1 VAL 33 2HG1 VAL 33 26.058 -1.231 0.306 261 2HG1 VAL 33 1HG1 VAL 33 24.686 -1.549 -0.776 262 3HG1 VAL 33 3HG1 VAL 33 24.945 -2.574 0.632 263 1HG2 VAL 33 2HG2 VAL 33 27.407 -2.827 -2.760 264 2HG2 VAL 33 1HG2 VAL 33 26.000 -1.766 -2.742 265 3HG2 VAL 33 3HG2 VAL 33 27.410 -1.369 -1.764 266 H PHE 34 HN PHE 34 29.399 -3.869 -1.641 267 HA PHE 34 HA PHE 34 31.282 -2.260 -0.204 268 1HB PHE 34 HB2 PHE 34 31.435 -3.724 -2.838 269 2HB PHE 34 HB1 PHE 34 32.778 -2.846 -2.131 270 HD1 PHE 34 HD1 PHE 34 30.299 -5.456 -1.101 271 HD2 PHE 34 HD2 PHE 34 34.323 -4.084 -0.986 272 HE1 PHE 34 HE1 PHE 34 30.954 -7.498 0.104 273 HE2 PHE 34 HE2 PHE 34 34.981 -6.102 0.235 274 HZ PHE 34 HZ PHE 34 33.295 -7.819 0.783 275 H SER 35 HN SER 35 29.440 -1.936 -3.220 276 HA SER 35 HA SER 35 30.503 0.786 -3.425 277 1HB SER 35 HB2 SER 35 31.319 -0.547 -5.295 278 2HB SER 35 HB1 SER 35 29.683 -1.117 -5.635 279 HG SER 35 HG SER 35 30.405 0.600 -7.006 280 H MET 36 HN MET 36 28.992 2.184 -2.921 281 HA MET 36 HA MET 36 26.285 1.546 -2.590 282 1HB MET 36 HB2 MET 36 27.723 4.173 -2.837 283 2HB MET 36 HB1 MET 36 25.977 4.114 -2.698 284 1HG MET 36 HG2 MET 36 27.245 2.469 -0.701 285 2HG MET 36 HG1 MET 36 27.812 4.143 -0.617 286 1HE MET 36 HE2 MET 36 24.382 2.970 -1.922 287 2HE MET 36 HE1 MET 36 24.494 1.822 -0.593 288 3HE MET 36 HE3 MET 36 23.295 3.145 -0.564 289 H ASP 37 HN ASP 37 28.084 2.506 -5.273 290 HA ASP 37 HA ASP 37 25.979 3.395 -6.961 291 1HB ASP 37 HB2 ASP 37 28.206 4.007 -7.579 292 2HB ASP 37 HB1 ASP 37 28.723 2.325 -7.612 293 H ASP 38 HN ASP 38 27.408 0.261 -6.305 294 HA ASP 38 HA ASP 38 26.078 -1.244 -8.319 295 1HB ASP 38 HB2 ASP 38 28.003 -2.168 -7.054 296 2HB ASP 38 HB1 ASP 38 27.020 -2.083 -5.588 297 H PHE 39 HN PHE 39 25.397 -0.395 -5.027 298 HA PHE 39 HA PHE 39 23.017 -1.809 -4.665 299 1HB PHE 39 HB2 PHE 39 24.340 -0.940 -2.851 300 2HB PHE 39 HB1 PHE 39 24.087 0.709 -3.393 301 HD1 PHE 39 HD1 PHE 39 21.877 1.667 -3.166 302 HD2 PHE 39 HD2 PHE 39 22.823 -2.086 -1.472 303 HE1 PHE 39 HE1 PHE 39 19.985 1.889 -1.663 304 HE2 PHE 39 HE2 PHE 39 20.910 -1.890 0.076 305 HZ PHE 39 HZ PHE 39 19.483 0.113 -0.032 306 H TRP 40 HN TRP 40 23.676 1.540 -5.777 307 HA TRP 40 HA TRP 40 20.956 2.272 -6.038 308 1HB TRP 40 HB2 TRP 40 23.342 3.444 -7.458 309 2HB TRP 40 HB1 TRP 40 21.749 4.184 -7.378 310 HD1 TRP 40 HD1 TRP 40 24.842 4.953 -6.072 311 HE1 TRP 40 HE1 TRP 40 24.831 5.825 -3.656 312 HE3 TRP 40 HE3 TRP 40 20.156 3.443 -4.656 313 HZ2 TRP 40 HZ2 TRP 40 23.095 5.849 -1.460 314 HZ3 TRP 40 HZ3 TRP 40 19.421 3.927 -2.381 315 HH2 TRP 40 HH2 TRP 40 20.841 5.107 -0.826 316 H ALA 41 HN ALA 41 23.243 0.881 -8.225 317 HA ALA 41 HA ALA 41 21.477 1.010 -10.472 318 1HB ALA 41 HB1 ALA 41 23.043 -0.510 -11.582 319 2HB ALA 41 HB3 ALA 41 23.919 0.782 -10.755 320 3HB ALA 41 HB2 ALA 41 23.834 -0.825 -10.036 321 H ALA 42 HN ALA 42 22.067 -1.301 -7.957 322 HA ALA 42 HA ALA 42 20.509 -3.387 -9.006 323 1HB ALA 42 HB2 ALA 42 21.131 -2.713 -6.134 324 2HB ALA 42 HB1 ALA 42 20.514 -4.256 -6.727 325 3HB ALA 42 HB3 ALA 42 22.120 -3.706 -7.205 326 H TYR 43 HN TYR 43 19.704 -0.660 -6.818 327 HA TYR 43 HA TYR 43 16.954 -1.565 -6.969 328 1HB TYR 43 HB2 TYR 43 18.297 0.252 -4.978 329 2HB TYR 43 HB1 TYR 43 16.594 -0.161 -4.965 330 HD1 TYR 43 HD1 TYR 43 15.823 -2.363 -4.369 331 HD2 TYR 43 HD2 TYR 43 19.971 -1.464 -4.338 332 HE1 TYR 43 HE1 TYR 43 16.253 -4.441 -3.152 333 HE2 TYR 43 HE2 TYR 43 20.414 -3.545 -3.113 334 HH TYR 43 HH TYR 43 19.230 -5.059 -1.689 335 H ALA 44 HN ALA 44 18.570 0.159 -8.917 336 HA ALA 44 HA ALA 44 17.813 2.678 -9.095 337 1HB ALA 44 HB1 ALA 44 19.239 1.561 -10.699 338 2HB ALA 44 HB3 ALA 44 17.838 0.741 -11.385 339 3HB ALA 44 HB2 ALA 44 17.981 2.492 -11.519 340 H GLY 45 HN GLY 45 15.700 -0.053 -9.945 341 1HA GLY 45 HA1 GLY 45 13.516 -0.121 -10.698 342 2HA GLY 45 HA2 GLY 45 13.639 1.588 -11.078 343 H TRP 46 HN TRP 46 14.336 0.390 -7.861 344 HA TRP 46 HA TRP 46 11.790 0.743 -6.712 345 1HB TRP 46 HB2 TRP 46 14.554 0.893 -5.484 346 2HB TRP 46 HB1 TRP 46 13.047 0.796 -4.594 347 HD1 TRP 46 HD1 TRP 46 14.978 -1.344 -7.173 348 HE1 TRP 46 HE1 TRP 46 14.648 -3.815 -6.556 349 HE3 TRP 46 HE3 TRP 46 11.885 -0.736 -3.190 350 HZ2 TRP 46 HZ2 TRP 46 13.255 -5.305 -4.610 351 HZ3 TRP 46 HZ3 TRP 46 11.093 -2.700 -2.012 352 HH2 TRP 46 HH2 TRP 46 11.764 -4.955 -2.700 353 H THR 47 HN THR 47 11.011 2.564 -5.528 354 HA THR 47 HA THR 47 12.111 5.061 -6.382 355 HB THR 47 HB THR 47 9.711 4.336 -4.704 356 HG1 THR 47 HG1 THR 47 10.116 4.812 -7.449 357 1HG2 THR 47 3HG2 THR 47 10.498 6.941 -6.002 358 2HG2 THR 47 2HG2 THR 47 8.970 6.636 -5.157 359 3HG2 THR 47 1HG2 THR 47 10.503 6.593 -4.273 360 H LEU 48 HN LEU 48 13.633 5.949 -5.250 361 HA LEU 48 HA LEU 48 14.313 5.080 -2.623 362 1HB LEU 48 HB2 LEU 48 15.964 5.784 -4.381 363 2HB LEU 48 HB1 LEU 48 15.358 7.411 -4.264 364 HG LEU 48 HG LEU 48 17.588 6.921 -3.144 365 1HD1 LEU 48 2HD1 LEU 48 16.357 8.942 -2.608 366 2HD1 LEU 48 1HD1 LEU 48 15.464 8.077 -1.349 367 3HD1 LEU 48 3HD1 LEU 48 17.217 8.280 -1.215 368 1HD2 LEU 48 1HD2 LEU 48 17.026 4.780 -2.155 369 2HD2 LEU 48 3HD2 LEU 48 17.539 5.945 -0.928 370 3HD2 LEU 48 2HD2 LEU 48 15.830 5.569 -1.122 371 H VAL 49 HN VAL 49 13.220 5.728 -0.911 372 HA VAL 49 HA VAL 49 11.712 8.196 -1.128 373 HB VAL 49 HB VAL 49 11.518 5.968 0.938 374 1HG1 VAL 49 2HG1 VAL 49 10.926 8.136 1.911 375 2HG1 VAL 49 1HG1 VAL 49 9.779 8.412 0.598 376 3HG1 VAL 49 3HG1 VAL 49 9.513 7.092 1.742 377 1HG2 VAL 49 3HG2 VAL 49 9.704 6.759 -1.320 378 2HG2 VAL 49 2HG2 VAL 49 10.739 5.332 -1.246 379 3HG2 VAL 49 1HG2 VAL 49 9.382 5.496 -0.129 380 H GLU 50 HN GLU 50 14.092 6.631 1.025 381 HA GLU 50 HA GLU 50 15.346 9.175 1.371 382 1HB GLU 50 HB2 GLU 50 15.252 9.191 3.817 383 2HB GLU 50 HB1 GLU 50 13.643 9.300 3.122 384 1HG GLU 50 HG2 GLU 50 13.223 7.048 3.594 385 2HG GLU 50 HG1 GLU 50 14.885 6.788 4.136 386 H GLN 51 HN GLN 51 17.363 8.948 2.385 387 HA GLN 51 HA GLN 51 18.261 6.301 3.104 388 1HB GLN 51 HB2 GLN 51 20.259 6.502 1.700 389 2HB GLN 51 HB1 GLN 51 18.738 6.423 0.797 390 1HG GLN 51 HG2 GLN 51 18.812 8.724 0.306 391 2HG GLN 51 HG1 GLN 51 20.187 8.960 1.395 392 1HE2 GLN 51 1HE2 GLN 51 19.119 7.529 -1.507 393 2HE2 GLN 51 2HE2 GLN 51 20.655 7.278 -2.243 394 H LYS 52 HN LYS 52 19.672 6.313 4.673 395 HA LYS 52 HA LYS 52 21.404 8.540 5.101 396 1HB LYS 52 HB2 LYS 52 20.899 8.314 7.619 397 2HB LYS 52 HB1 LYS 52 19.835 9.314 6.628 398 1HG LYS 52 HG2 LYS 52 18.177 7.473 6.637 399 2HG LYS 52 HG1 LYS 52 19.316 6.488 7.543 400 1HD LYS 52 HD2 LYS 52 19.245 7.892 9.428 401 2HD LYS 52 HD1 LYS 52 18.353 9.145 8.539 402 1HE LYS 52 HE2 LYS 52 17.200 6.426 9.020 403 2HE LYS 52 HE1 LYS 52 17.116 7.675 10.255 404 1HZ LYS 52 HZ3 LYS 52 15.967 9.098 8.621 405 2HZ LYS 52 HZ2 LYS 52 15.891 7.839 7.509 406 3HZ LYS 52 HZ1 LYS 52 15.119 7.715 8.955 407 H LYS 53 HN LYS 53 22.986 7.332 4.480 408 HA LYS 53 HA LYS 53 24.452 5.631 4.295 409 1HB LYS 53 HB2 LYS 53 24.742 6.532 7.116 410 2HB LYS 53 HB1 LYS 53 25.845 5.364 6.394 411 1HG LYS 53 HG2 LYS 53 25.305 8.135 5.366 412 2HG LYS 53 HG1 LYS 53 26.736 7.640 6.272 413 1HD LYS 53 HD2 LYS 53 27.296 6.040 4.471 414 2HD LYS 53 HD1 LYS 53 25.887 6.572 3.562 415 1HE LYS 53 HE2 LYS 53 28.201 8.276 4.366 416 2HE LYS 53 HE1 LYS 53 27.943 7.574 2.772 417 1HZ LYS 53 HZ3 LYS 53 25.888 8.906 2.562 418 2HZ LYS 53 HZ2 LYS 53 26.174 9.607 4.074 419 3HZ LYS 53 HZ1 LYS 53 27.230 9.884 2.823 420 H GLY 54 HN GLY 54 23.589 4.733 7.398 421 1HA GLY 54 HA1 GLY 54 23.452 2.596 8.320 422 2HA GLY 54 HA2 GLY 54 23.926 1.954 6.755 423 H TYR 55 HN TYR 55 21.122 4.056 6.718 424 HA TYR 55 HA TYR 55 19.546 1.651 6.301 425 1HB TYR 55 HB2 TYR 55 18.834 2.239 8.407 426 2HB TYR 55 HB1 TYR 55 19.157 3.938 8.160 427 HD1 TYR 55 HD1 TYR 55 17.602 5.345 7.181 428 HD2 TYR 55 HD2 TYR 55 16.653 1.271 7.715 429 HE1 TYR 55 HE1 TYR 55 15.274 5.906 6.838 430 HE2 TYR 55 HE2 TYR 55 14.256 1.768 7.364 431 HH TYR 55 HH TYR 55 13.153 4.781 6.182 432 H VAL 56 HN VAL 56 18.408 1.689 4.464 433 HA VAL 56 HA VAL 56 17.872 4.285 3.228 434 HB VAL 56 HB VAL 56 18.762 1.755 1.804 435 1HG1 VAL 56 2HG1 VAL 56 17.904 4.413 0.664 436 2HG1 VAL 56 1HG1 VAL 56 18.585 3.080 -0.269 437 3HG1 VAL 56 3HG1 VAL 56 17.024 2.893 0.531 438 1HG2 VAL 56 2HG2 VAL 56 20.603 3.113 2.798 439 2HG2 VAL 56 1HG2 VAL 56 20.655 3.064 1.026 440 3HG2 VAL 56 3HG2 VAL 56 20.026 4.484 1.841 441 H LEU 57 HN LEU 57 15.819 4.524 2.499 442 HA LEU 57 HA LEU 57 14.029 2.244 2.800 443 1HB LEU 57 HB2 LEU 57 13.441 3.833 4.421 444 2HB LEU 57 HB1 LEU 57 13.798 5.151 3.357 445 HG LEU 57 HG LEU 57 11.751 4.853 2.175 446 1HD1 LEU 57 2HD1 LEU 57 11.524 2.584 2.121 447 2HD1 LEU 57 1HD1 LEU 57 11.119 2.493 3.864 448 3HD1 LEU 57 3HD1 LEU 57 10.077 3.376 2.715 449 1HD2 LEU 57 1HD2 LEU 57 11.304 4.840 5.134 450 2HD2 LEU 57 3HD2 LEU 57 11.621 6.247 4.120 451 3HD2 LEU 57 2HD2 LEU 57 10.127 5.344 3.921 452 H PHE 58 HN PHE 58 13.278 1.437 1.030 453 HA PHE 58 HA PHE 58 12.907 3.081 -1.419 454 1HB PHE 58 HB2 PHE 58 13.828 0.242 -1.096 455 2HB PHE 58 HB1 PHE 58 13.048 0.800 -2.558 456 HD1 PHE 58 HD1 PHE 58 14.119 2.645 -3.844 457 HD2 PHE 58 HD2 PHE 58 16.064 0.526 -0.745 458 HE1 PHE 58 HE1 PHE 58 16.298 3.354 -4.752 459 HE2 PHE 58 HE2 PHE 58 18.226 1.195 -1.624 460 HZ PHE 58 HZ PHE 58 18.365 2.619 -3.644 461 H ARG 59 HN ARG 59 11.171 2.489 -2.711 462 HA ARG 59 HA ARG 59 9.396 0.476 -1.617 463 1HB ARG 59 HB2 ARG 59 7.392 1.775 -2.183 464 2HB ARG 59 HB1 ARG 59 8.387 2.630 -1.013 465 1HG ARG 59 HG2 ARG 59 9.216 4.070 -2.784 466 2HG ARG 59 HG1 ARG 59 8.202 3.181 -3.941 467 1HD ARG 59 HD2 ARG 59 7.250 5.297 -3.162 468 2HD ARG 59 HD1 ARG 59 6.214 3.894 -2.881 469 HE ARG 59 HE ARG 59 7.616 4.185 -0.530 470 1HH1 ARG 59 1HH1 ARG 59 5.554 6.398 -2.373 471 2HH1 ARG 59 2HH1 ARG 59 5.005 7.205 -0.974 472 1HH2 ARG 59 1HH2 ARG 59 6.887 5.203 1.243 473 2HH2 ARG 59 2HH2 ARG 59 5.760 6.519 1.175 474 H LYS 60 HN LYS 60 8.371 -0.717 -3.064 475 HA LYS 60 HA LYS 60 8.763 -0.193 -5.904 476 1HB LYS 60 HB2 LYS 60 10.554 -1.662 -5.349 477 2HB LYS 60 HB1 LYS 60 9.498 -2.705 -4.399 478 1HG LYS 60 HG2 LYS 60 9.828 -3.891 -6.394 479 2HG LYS 60 HG1 LYS 60 8.293 -3.069 -6.662 480 1HD LYS 60 HD2 LYS 60 9.567 -2.823 -8.651 481 2HD LYS 60 HD1 LYS 60 9.583 -1.262 -7.823 482 1HE LYS 60 HE2 LYS 60 11.771 -1.552 -7.052 483 2HE LYS 60 HE1 LYS 60 11.764 -3.263 -7.459 484 1HZ LYS 60 HZ3 LYS 60 11.643 -1.037 -9.442 485 2HZ LYS 60 HZ2 LYS 60 13.001 -2.019 -9.125 486 3HZ LYS 60 HZ1 LYS 60 11.644 -2.671 -9.793 487 H GLN 61 HN GLN 61 6.905 -0.570 -6.896 488 HA GLN 61 HA GLN 61 4.976 -2.198 -5.481 489 1HB GLN 61 HB2 GLN 61 3.240 -0.614 -6.474 490 2HB GLN 61 HB1 GLN 61 4.227 -0.065 -5.128 491 1HG GLN 61 HG2 GLN 61 5.706 1.006 -6.801 492 2HG GLN 61 HG1 GLN 61 4.423 0.722 -8.002 493 1HE2 GLN 61 1HE2 GLN 61 5.557 2.531 -5.388 494 2HE2 GLN 61 2HE2 GLN 61 4.260 3.656 -5.227 495 H MET 62 HN MET 62 4.649 -3.997 -6.491 496 HA MET 62 HA MET 62 4.790 -4.012 -9.416 497 1HB MET 62 HB2 MET 62 6.402 -5.658 -9.475 498 2HB MET 62 HB1 MET 62 6.967 -4.679 -8.141 499 1HG MET 62 HG2 MET 62 5.507 -7.325 -7.950 500 2HG MET 62 HG1 MET 62 7.209 -7.047 -7.631 501 1HE MET 62 HE3 MET 62 8.138 -5.904 -5.485 502 2HE MET 62 HE2 MET 62 7.204 -4.437 -5.793 503 3HE MET 62 HE1 MET 62 7.145 -5.193 -4.207 504 H ASP 63 HN ASP 63 4.273 -6.373 -10.100 505 HA ASP 63 HA ASP 63 2.938 -8.091 -10.366 506 1HB ASP 63 HB2 ASP 63 3.823 -8.871 -8.187 507 2HB ASP 63 HB1 ASP 63 2.503 -8.043 -7.367 508 H ASP 64 HN ASP 64 1.025 -6.809 -7.716 509 HA ASP 64 HA ASP 64 -0.587 -5.166 -9.075 510 1HB ASP 64 HB2 ASP 64 -2.808 -6.393 -9.203 511 2HB ASP 64 HB1 ASP 64 -1.647 -6.782 -10.447 512 H ILE 65 HN ILE 65 -2.345 -7.341 -7.026 513 HA ILE 65 HA ILE 65 -2.021 -5.271 -5.004 514 HB ILE 65 HB ILE 65 -4.147 -5.893 -4.027 515 1HG1 ILE 65 2HG1 ILE 65 -4.438 -7.902 -6.250 516 2HG1 ILE 65 1HG1 ILE 65 -4.031 -8.299 -4.588 517 1HG2 ILE 65 1HG2 ILE 65 -4.397 -5.494 -7.003 518 2HG2 ILE 65 3HG2 ILE 65 -5.692 -5.234 -5.835 519 3HG2 ILE 65 2HG2 ILE 65 -4.239 -4.232 -5.783 520 1HD1 ILE 65 2HD1 ILE 65 -6.166 -7.406 -3.839 521 2HD1 ILE 65 1HD1 ILE 65 -6.584 -7.011 -5.508 522 3HD1 ILE 65 3HD1 ILE 65 -6.378 -8.697 -5.026 523 H SER 66 HN SER 66 -2.355 -6.232 -2.762 524 HA SER 66 HA SER 66 -0.222 -8.015 -2.352 525 1HB SER 66 HB2 SER 66 -1.014 -6.234 -0.761 526 2HB SER 66 HB1 SER 66 -2.411 -7.268 -0.448 527 HG SER 66 HG SER 66 -0.483 -7.283 0.967 528 HA PRO 67 HA PRO 67 -2.210 -11.910 -2.919 529 1HB PRO 67 HB2 PRO 67 -0.643 -13.432 -1.199 530 2HB PRO 67 HB1 PRO 67 -0.248 -13.040 -2.874 531 1HG PRO 67 HG2 PRO 67 0.804 -11.889 -0.369 532 2HG PRO 67 HG1 PRO 67 1.572 -12.016 -1.955 533 1HD PRO 67 HD2 PRO 67 0.499 -9.711 -0.861 534 2HD PRO 67 HD1 PRO 67 0.790 -9.929 -2.584 535 H LEU 68 HN LEU 68 -1.589 -10.855 0.365 536 HA LEU 68 HA LEU 68 -3.407 -12.607 1.647 537 1HB LEU 68 HB2 LEU 68 -1.475 -11.056 2.593 538 2HB LEU 68 HB1 LEU 68 -2.744 -9.864 2.689 539 HG LEU 68 HG LEU 68 -2.304 -10.954 4.858 540 1HD1 LEU 68 2HD1 LEU 68 -4.563 -10.102 4.454 541 2HD1 LEU 68 1HD1 LEU 68 -5.024 -11.676 3.804 542 3HD1 LEU 68 3HD1 LEU 68 -4.572 -11.526 5.498 543 1HD2 LEU 68 2HD2 LEU 68 -1.602 -13.123 3.987 544 2HD2 LEU 68 1HD2 LEU 68 -2.858 -13.290 5.225 545 3HD2 LEU 68 3HD2 LEU 68 -3.263 -13.466 3.518 546 H SER 69 HN SER 69 -3.681 -9.519 0.044 547 HA SER 69 HA SER 69 -6.213 -8.823 0.967 548 1HB SER 69 HB2 SER 69 -4.816 -8.117 -1.583 549 2HB SER 69 HB1 SER 69 -6.150 -7.228 -0.827 550 HG SER 69 HG SER 69 -4.270 -6.276 -0.194 551 H LYS 70 HN LYS 70 -5.167 -11.058 -1.466 552 HA LYS 70 HA LYS 70 -7.700 -11.281 -2.765 553 1HB LYS 70 HB2 LYS 70 -5.323 -13.145 -2.826 554 2HB LYS 70 HB1 LYS 70 -6.633 -13.055 -4.010 555 1HG LYS 70 HG2 LYS 70 -5.994 -10.833 -4.621 556 2HG LYS 70 HG1 LYS 70 -4.756 -10.810 -3.379 557 1HD LYS 70 HD2 LYS 70 -3.610 -12.649 -4.564 558 2HD LYS 70 HD1 LYS 70 -4.815 -12.524 -5.859 559 1HE LYS 70 HE2 LYS 70 -4.276 -10.091 -5.977 560 2HE LYS 70 HE1 LYS 70 -2.948 -10.393 -4.891 561 1HZ LYS 70 HZ3 LYS 70 -3.178 -11.741 -7.525 562 2HZ LYS 70 HZ2 LYS 70 -2.345 -10.305 -7.277 563 3HZ LYS 70 HZ1 LYS 70 -1.841 -11.723 -6.492 564 H VAL 71 HN VAL 71 -6.270 -12.570 0.076 565 HA VAL 71 HA VAL 71 -8.225 -14.744 0.239 566 HB VAL 71 HB VAL 71 -7.025 -15.643 2.058 567 1HG1 VAL 71 1HG1 VAL 71 -5.676 -15.786 0.087 568 2HG1 VAL 71 3HG1 VAL 71 -4.939 -14.230 0.477 569 3HG1 VAL 71 2HG1 VAL 71 -4.656 -15.618 1.527 570 1HG2 VAL 71 2HG2 VAL 71 -5.769 -12.968 2.555 571 2HG2 VAL 71 1HG2 VAL 71 -7.019 -13.716 3.540 572 3HG2 VAL 71 3HG2 VAL 71 -5.404 -14.439 3.471 573 H ASN 72 HN ASN 72 -7.566 -11.643 1.324 574 HA ASN 72 HA ASN 72 -9.550 -11.525 3.427 575 1HB ASN 72 HB2 ASN 72 -7.494 -10.321 3.752 576 2HB ASN 72 HB1 ASN 72 -7.670 -9.491 2.224 577 1HD2 ASN 72 1HD2 ASN 72 -7.405 -7.503 3.263 578 2HD2 ASN 72 2HD2 ASN 72 -8.675 -6.821 4.228 579 H GLY 73 HN GLY 73 -9.128 -9.344 0.594 580 1HA GLY 73 HA1 GLY 73 -11.835 -9.797 -0.256 581 2HA GLY 73 HA2 GLY 73 -10.667 -8.750 -1.022 582 H TYR 74 HN TYR 74 -10.975 -8.048 2.224 583 HA TYR 74 HA TYR 74 -13.486 -6.751 2.140 584 1HB TYR 74 HB2 TYR 74 -11.600 -7.521 4.311 585 2HB TYR 74 HB1 TYR 74 -12.760 -6.236 4.608 586 HD1 TYR 74 HD1 TYR 74 -13.232 -9.403 2.651 587 HD2 TYR 74 HD2 TYR 74 -14.250 -7.162 6.098 588 HE1 TYR 74 HE1 TYR 74 -14.985 -11.054 3.220 589 HE2 TYR 74 HE2 TYR 74 -15.981 -8.789 6.668 590 HH TYR 74 HH TYR 74 -17.321 -10.421 5.664 591 H ILE 75 HN ILE 75 -13.596 -5.115 1.317 592 HA ILE 75 HA ILE 75 -11.755 -2.892 1.693 593 HB ILE 75 HB ILE 75 -13.937 -3.701 -0.062 594 1HG1 ILE 75 2HG1 ILE 75 -11.163 -2.883 -0.731 595 2HG1 ILE 75 1HG1 ILE 75 -11.719 -4.536 -0.449 596 1HG2 ILE 75 2HG2 ILE 75 -14.212 -1.216 0.387 597 2HG2 ILE 75 1HG2 ILE 75 -12.535 -0.941 -0.034 598 3HG2 ILE 75 3HG2 ILE 75 -13.685 -1.420 -1.288 599 1HD1 ILE 75 3HD1 ILE 75 -12.641 -2.665 -2.669 600 2HD1 ILE 75 2HD1 ILE 75 -11.534 -4.017 -2.887 601 3HD1 ILE 75 1HD1 ILE 75 -13.212 -4.307 -2.434 602 H GLY 76 HN GLY 76 -12.525 -1.293 3.002 603 1HA GLY 76 HA1 GLY 76 -14.200 -1.483 4.928 604 2HA GLY 76 HA2 GLY 76 -15.372 -1.472 3.632 605 H VAL 77 HN VAL 77 -16.111 0.218 4.969 606 HA VAL 77 HA VAL 77 -14.589 2.650 4.612 607 HB VAL 77 HB VAL 77 -16.590 3.978 4.347 608 1HG1 VAL 77 2HG1 VAL 77 -16.329 1.820 2.294 609 2HG1 VAL 77 1HG1 VAL 77 -17.168 3.369 2.063 610 3HG1 VAL 77 3HG1 VAL 77 -15.437 3.335 2.409 611 1HG2 VAL 77 1HG2 VAL 77 -18.011 1.344 4.360 612 2HG2 VAL 77 3HG2 VAL 77 -18.199 2.724 5.457 613 3HG2 VAL 77 2HG2 VAL 77 -18.720 2.847 3.760 614 H SER 78 HN SER 78 -14.704 4.086 6.120 615 HA SER 78 HA SER 78 -15.731 3.229 8.683 616 1HB SER 78 HB2 SER 78 -14.400 5.846 7.914 617 2HB SER 78 HB1 SER 78 -14.649 5.216 9.546 618 HG SER 78 HG SER 78 -13.240 3.538 9.072 619 H ASP 79 HN ASP 79 -17.188 5.027 9.839 620 HA ASP 79 HA ASP 79 -19.554 4.982 8.478 621 1HB ASP 79 HB2 ASP 79 -18.742 6.617 10.856 622 2HB ASP 79 HB1 ASP 79 -20.389 6.393 10.289 623 H ASN 80 HN ASN 80 -17.129 7.421 8.189 624 HA ASN 80 HA ASN 80 -19.081 9.264 7.071 625 1HB ASN 80 HB2 ASN 80 -16.151 9.613 7.672 626 2HB ASN 80 HB1 ASN 80 -17.105 10.807 6.808 627 1HD2 ASN 80 1HD2 ASN 80 -16.373 9.409 9.800 628 2HD2 ASN 80 2HD2 ASN 80 -17.325 10.436 10.802 629 H GLY 81 HN GLY 81 -17.849 6.658 5.843 630 1HA GLY 81 HA1 GLY 81 -17.908 7.664 3.151 631 2HA GLY 81 HA2 GLY 81 -17.887 5.984 3.665 632 H VAL 82 HN VAL 82 -15.627 6.185 5.314 633 HA VAL 82 HA VAL 82 -13.482 7.185 3.619 634 HB VAL 82 HB VAL 82 -13.160 5.567 6.169 635 1HG1 VAL 82 1HG1 VAL 82 -11.156 5.764 4.794 636 2HG1 VAL 82 3HG1 VAL 82 -11.313 7.520 4.806 637 3HG1 VAL 82 2HG1 VAL 82 -10.985 6.652 6.309 638 1HG2 VAL 82 2HG2 VAL 82 -14.570 7.538 6.601 639 2HG2 VAL 82 1HG2 VAL 82 -12.989 7.699 7.371 640 3HG2 VAL 82 3HG2 VAL 82 -13.334 8.561 5.874 641 H ILE 83 HN ILE 83 -12.516 6.065 2.147 642 HA ILE 83 HA ILE 83 -13.506 3.459 1.370 643 HB ILE 83 HB ILE 83 -11.647 5.331 -0.177 644 1HG1 ILE 83 2HG1 ILE 83 -13.680 6.497 0.339 645 2HG1 ILE 83 1HG1 ILE 83 -13.756 5.997 -1.349 646 1HG2 ILE 83 3HG2 ILE 83 -13.403 3.049 -1.136 647 2HG2 ILE 83 2HG2 ILE 83 -12.499 4.147 -2.187 648 3HG2 ILE 83 1HG2 ILE 83 -11.643 3.054 -1.095 649 1HD1 ILE 83 2HD1 ILE 83 -15.162 4.090 -0.688 650 2HD1 ILE 83 1HD1 ILE 83 -15.083 4.656 0.979 651 3HD1 ILE 83 3HD1 ILE 83 -15.900 5.637 -0.247 652 H SER 84 HN SER 84 -12.051 2.991 3.438 653 HA SER 84 HA SER 84 -9.232 2.499 2.648 654 1HB SER 84 HB2 SER 84 -10.471 2.513 5.393 655 2HB SER 84 HB1 SER 84 -8.751 2.393 5.014 656 HG SER 84 HG SER 84 -10.001 4.543 5.472 657 H THR 85 HN THR 85 -8.401 0.409 2.676 658 HA THR 85 HA THR 85 -10.427 -1.615 2.944 659 HB THR 85 HB THR 85 -8.741 -3.170 1.978 660 HG1 THR 85 HG1 THR 85 -6.860 -1.691 1.089 661 1HG2 THR 85 1HG2 THR 85 -10.169 -1.797 0.509 662 2HG2 THR 85 3HG2 THR 85 -8.905 -0.572 0.454 663 3HG2 THR 85 2HG2 THR 85 -8.608 -2.167 -0.232 664 H PHE 86 HN PHE 86 -10.293 -3.375 4.343 665 HA PHE 86 HA PHE 86 -8.546 -2.910 6.603 666 1HB PHE 86 HB2 PHE 86 -11.479 -3.565 6.603 667 2HB PHE 86 HB1 PHE 86 -10.467 -3.903 7.991 668 HD1 PHE 86 HD1 PHE 86 -11.097 -1.049 5.704 669 HD2 PHE 86 HD2 PHE 86 -10.621 -2.407 9.670 670 HE1 PHE 86 HE1 PHE 86 -11.626 1.231 6.537 671 HE2 PHE 86 HE2 PHE 86 -11.121 -0.148 10.534 672 HZ PHE 86 HZ PHE 86 -11.628 1.675 8.957 673 H HIS 87 HN HIS 87 -8.246 -4.901 7.873 674 HA HIS 87 HA HIS 87 -8.448 -7.294 6.251 675 1HB HIS 87 HB2 HIS 87 -6.986 -8.249 8.214 676 2HB HIS 87 HB1 HIS 87 -6.227 -7.194 7.034 677 HD1 HIS 87 HD1 HIS 87 -7.902 -6.723 10.464 678 HD2 HIS 87 HD2 HIS 87 -4.724 -5.311 8.195 679 HE1 HIS 87 HE1 HIS 87 -6.681 -5.045 11.915 680 H GLY 88 HN GLY 88 -10.365 -8.167 6.450 681 1HA GLY 88 HA1 GLY 88 -11.347 -8.841 9.105 682 2HA GLY 88 HA2 GLY 88 -12.022 -9.373 7.563 683 H ARG 89 HN ARG 89 -13.625 -8.390 9.648 684 HA ARG 89 HA ARG 89 -15.348 -6.654 8.468 685 1HB ARG 89 HB2 ARG 89 -14.827 -7.451 11.282 686 2HB ARG 89 HB1 ARG 89 -15.900 -6.090 10.970 687 1HG ARG 89 HG2 ARG 89 -16.290 -8.711 9.629 688 2HG ARG 89 HG1 ARG 89 -16.982 -8.336 11.210 689 1HD ARG 89 HD2 ARG 89 -17.428 -6.804 8.642 690 2HD ARG 89 HD1 ARG 89 -18.576 -7.816 9.505 691 HE ARG 89 HE ARG 89 -17.564 -5.724 11.164 692 1HH1 ARG 89 1HH1 ARG 89 -20.108 -6.564 8.890 693 2HH1 ARG 89 2HH1 ARG 89 -21.038 -5.171 9.176 694 1HH2 ARG 89 1HH2 ARG 89 -18.771 -3.802 11.548 695 2HH2 ARG 89 2HH2 ARG 89 -20.234 -3.515 10.736 696 HA PRO 90 HA PRO 90 -13.148 -2.782 8.913 697 1HB PRO 90 HB2 PRO 90 -14.744 -1.350 7.236 698 2HB PRO 90 HB1 PRO 90 -13.429 -2.392 6.691 699 1HG PRO 90 HG2 PRO 90 -16.335 -2.813 6.537 700 2HG PRO 90 HG1 PRO 90 -15.044 -3.538 5.575 701 1HD PRO 90 HD2 PRO 90 -16.459 -4.710 7.743 702 2HD PRO 90 HD1 PRO 90 -15.078 -5.379 6.858 703 H GLU 91 HN GLU 91 -13.780 -2.577 11.042 704 HA GLU 91 HA GLU 91 -15.842 -0.598 11.433 705 1HB GLU 91 HB2 GLU 91 -16.786 -1.901 13.369 706 2HB GLU 91 HB1 GLU 91 -16.939 -2.728 11.852 707 1HG GLU 91 HG2 GLU 91 -15.028 -4.130 12.430 708 2HG GLU 91 HG1 GLU 91 -14.936 -3.309 14.000 709 HA PRO 92 HA PRO 92 -12.859 1.310 14.104 710 1HB PRO 92 HB2 PRO 92 -14.028 1.491 16.585 711 2HB PRO 92 HB1 PRO 92 -14.269 2.679 15.278 712 1HG PRO 92 HG2 PRO 92 -15.993 0.479 16.264 713 2HG PRO 92 HG1 PRO 92 -16.465 2.024 15.528 714 1HD PRO 92 HD2 PRO 92 -16.501 -0.402 14.305 715 2HD PRO 92 HD1 PRO 92 -16.360 1.134 13.392 716 H ALA 93 HN ALA 93 -14.214 -1.605 15.231 717 HA ALA 93 HA ALA 93 -12.324 -2.067 17.293 718 1HB ALA 93 HB1 ALA 93 -14.477 -3.111 17.246 719 2HB ALA 93 HB2 ALA 93 -13.199 -4.337 17.304 720 3HB ALA 93 HB3 ALA 93 -14.057 -4.007 15.785 721 H SER 94 HN SER 94 -12.236 -2.161 13.921 722 HA SER 94 HA SER 94 -9.921 -3.929 13.933 723 1HB SER 94 HB2 SER 94 -11.702 -3.009 11.693 724 2HB SER 94 HB1 SER 94 -10.368 -4.161 11.558 725 HG SER 94 HG SER 94 -12.512 -5.057 11.796 726 H GLU 95 HN GLU 95 -8.475 -3.169 11.836 727 HA GLU 95 HA GLU 95 -7.844 -0.364 12.376 728 1HB GLU 95 HB2 GLU 95 -5.919 -2.608 11.787 729 2HB GLU 95 HB1 GLU 95 -5.488 -0.927 12.061 730 1HG GLU 95 HG2 GLU 95 -6.346 -1.078 14.336 731 2HG GLU 95 HG1 GLU 95 -6.780 -2.763 14.054 732 HA PRO 96 HA PRO 96 -8.167 -0.025 7.913 733 1HB PRO 96 HB2 PRO 96 -6.866 2.580 8.212 734 2HB PRO 96 HB1 PRO 96 -8.501 2.224 7.653 735 1HG PRO 96 HG2 PRO 96 -7.983 3.416 10.026 736 2HG PRO 96 HG1 PRO 96 -9.394 2.374 9.748 737 1HD PRO 96 HD2 PRO 96 -6.827 1.754 11.151 738 2HD PRO 96 HD1 PRO 96 -8.495 1.262 11.532 739 H ILE 97 HN ILE 97 -6.710 -0.536 6.406 740 HA ILE 97 HA ILE 97 -3.991 -0.980 7.218 741 HB ILE 97 HB ILE 97 -5.303 -1.328 4.494 742 1HG1 ILE 97 2HG1 ILE 97 -4.792 -3.441 6.594 743 2HG1 ILE 97 1HG1 ILE 97 -6.326 -2.595 6.429 744 1HG2 ILE 97 1HG2 ILE 97 -2.742 -2.477 5.622 745 2HG2 ILE 97 3HG2 ILE 97 -3.458 -2.895 4.064 746 3HG2 ILE 97 2HG2 ILE 97 -2.866 -1.261 4.347 747 1HD1 ILE 97 3HD1 ILE 97 -5.045 -4.285 4.284 748 2HD1 ILE 97 2HD1 ILE 97 -6.364 -4.776 5.364 749 3HD1 ILE 97 1HD1 ILE 97 -6.611 -3.464 4.222 750 H GLN 98 HN GLN 98 -5.759 1.258 5.221 751 HA GLN 98 HA GLN 98 -3.682 3.225 5.265 752 1HB GLN 98 HB2 GLN 98 -3.247 3.357 2.935 753 2HB GLN 98 HB1 GLN 98 -3.298 1.624 3.184 754 1HG GLN 98 HG2 GLN 98 -5.524 3.331 2.058 755 2HG GLN 98 HG1 GLN 98 -4.456 2.276 1.146 756 1HE2 GLN 98 1HE2 GLN 98 -4.569 0.124 3.024 757 2HE2 GLN 98 2HE2 GLN 98 -6.165 -0.554 2.863 758 H SER 99 HN SER 99 -4.883 5.094 3.650 759 HA SER 99 HA SER 99 -7.700 4.629 3.736 760 1HB SER 99 HB2 SER 99 -6.386 7.126 4.854 761 2HB SER 99 HB1 SER 99 -8.123 6.939 4.599 762 HG SER 99 HG SER 99 -7.303 4.835 5.905 763 H PHE 100 HN PHE 100 -8.724 5.464 1.887 764 HA PHE 100 HA PHE 100 -6.932 6.808 0.014 765 1HB PHE 100 HB2 PHE 100 -9.430 5.202 -0.508 766 2HB PHE 100 HB1 PHE 100 -8.686 6.207 -1.742 767 HD1 PHE 100 HD1 PHE 100 -6.262 5.737 -2.343 768 HD2 PHE 100 HD2 PHE 100 -8.676 3.030 -0.128 769 HE1 PHE 100 HE1 PHE 100 -4.741 3.900 -2.946 770 HE2 PHE 100 HE2 PHE 100 -7.153 1.186 -0.721 771 HZ PHE 100 HZ PHE 100 -5.187 1.622 -2.132 772 H PHE 101 HN PHE 101 -10.499 6.995 0.353 773 HA PHE 101 HA PHE 101 -10.239 9.880 0.540 774 1HB PHE 101 HB2 PHE 101 -10.386 9.117 -1.925 775 2HB PHE 101 HB1 PHE 101 -12.026 8.607 -1.556 776 HD1 PHE 101 HD1 PHE 101 -9.778 11.542 -1.535 777 HD2 PHE 101 HD2 PHE 101 -13.787 10.152 -1.710 778 HE1 PHE 101 HE1 PHE 101 -10.538 13.823 -2.029 779 HE2 PHE 101 HE2 PHE 101 -14.557 12.437 -2.199 780 HZ PHE 101 HZ PHE 101 -12.931 14.273 -2.364 781 H GLN 102 HN GLN 102 -12.675 10.800 0.912 782 HA GLN 102 HA GLN 102 -14.152 8.829 2.411 783 1HB GLN 102 HB2 GLN 102 -12.787 10.391 3.767 784 2HB GLN 102 HB1 GLN 102 -13.651 11.738 3.057 785 1HG GLN 102 HG2 GLN 102 -15.686 10.765 3.833 786 2HG GLN 102 HG1 GLN 102 -14.737 9.558 4.701 787 1HE2 GLN 102 1HE2 GLN 102 -13.288 10.284 6.331 788 2HE2 GLN 102 2HE2 GLN 102 -13.570 11.768 7.146 789 H ILE 103 HN ILE 103 -16.202 8.701 1.678 790 HA ILE 103 HA ILE 103 -17.343 10.909 0.069 791 HB ILE 103 HB ILE 103 -18.398 9.273 -1.447 792 1HG1 ILE 103 2HG1 ILE 103 -17.135 7.145 0.307 793 2HG1 ILE 103 1HG1 ILE 103 -18.834 7.574 0.344 794 1HG2 ILE 103 2HG2 ILE 103 -16.108 9.905 -1.934 795 2HG2 ILE 103 1HG2 ILE 103 -15.525 8.525 -1.012 796 3HG2 ILE 103 3HG2 ILE 103 -16.479 8.267 -2.478 797 1HD1 ILE 103 1HD1 ILE 103 -19.063 6.899 -1.969 798 2HD1 ILE 103 3HD1 ILE 103 -17.358 6.432 -2.004 799 3HD1 ILE 103 2HD1 ILE 103 -18.500 5.580 -0.940 800 H ASP 104 HN ASP 104 -19.760 10.952 0.096 801 HA ASP 104 HA ASP 104 -20.730 10.486 2.729 802 1HB ASP 104 HB2 ASP 104 -21.809 11.759 0.290 803 2HB ASP 104 HB1 ASP 104 -22.990 11.123 1.423 804 H LEU 105 HN LEU 105 -21.137 8.506 3.403 805 HA LEU 105 HA LEU 105 -22.034 6.441 1.714 806 1HB LEU 105 HB2 LEU 105 -22.282 6.741 4.683 807 2HB LEU 105 HB1 LEU 105 -22.883 5.360 3.816 808 HG LEU 105 HG LEU 105 -20.123 6.105 4.535 809 1HD1 LEU 105 3HD1 LEU 105 -21.813 3.643 4.391 810 2HD1 LEU 105 2HD1 LEU 105 -20.128 3.625 4.934 811 3HD1 LEU 105 1HD1 LEU 105 -21.355 4.529 5.835 812 1HD2 LEU 105 2HD2 LEU 105 -20.008 5.954 2.066 813 2HD2 LEU 105 1HD2 LEU 105 -19.202 4.584 2.822 814 3HD2 LEU 105 3HD2 LEU 105 -20.811 4.390 2.133 815 H GLU 106 HN GLU 106 -23.563 8.838 3.539 816 HA GLU 106 HA GLU 106 -26.164 7.879 3.432 817 1HB GLU 106 HB2 GLU 106 -26.749 10.285 3.922 818 2HB GLU 106 HB1 GLU 106 -25.625 9.525 5.039 819 1HG GLU 106 HG2 GLU 106 -23.755 10.586 3.869 820 2HG GLU 106 HG1 GLU 106 -24.886 11.369 2.775 821 H ARG 107 HN ARG 107 -24.162 9.297 0.958 822 HA ARG 107 HA ARG 107 -26.475 10.031 -0.636 823 1HB ARG 107 HB2 ARG 107 -25.061 11.355 -1.921 824 2HB ARG 107 HB1 ARG 107 -24.214 11.326 -0.383 825 1HG ARG 107 HG2 ARG 107 -22.717 9.623 -1.175 826 2HG ARG 107 HG1 ARG 107 -23.615 9.616 -2.708 827 1HD ARG 107 HD2 ARG 107 -22.137 12.002 -1.560 828 2HD ARG 107 HD1 ARG 107 -21.491 10.935 -2.794 829 HE ARG 107 HE ARG 107 -24.008 12.087 -3.420 830 1HH1 ARG 107 1HH1 ARG 107 -20.543 12.694 -3.395 831 2HH1 ARG 107 2HH1 ARG 107 -20.529 13.706 -4.767 832 1HH2 ARG 107 1HH2 ARG 107 -24.008 13.539 -5.306 833 2HH2 ARG 107 2HH2 ARG 107 -22.554 14.220 -5.866 834 H LEU 108 HN LEU 108 -24.286 7.461 -0.151 835 HA LEU 108 HA LEU 108 -24.713 6.060 -2.572 836 1HB LEU 108 HB2 LEU 108 -24.034 5.211 0.164 837 2HB LEU 108 HB1 LEU 108 -24.515 3.949 -0.970 838 HG LEU 108 HG LEU 108 -22.763 5.304 -2.326 839 1HD1 LEU 108 3HD1 LEU 108 -22.150 6.766 -0.474 840 2HD1 LEU 108 2HD1 LEU 108 -21.518 5.311 0.340 841 3HD1 LEU 108 1HD1 LEU 108 -20.779 5.853 -1.139 842 1HD2 LEU 108 2HD2 LEU 108 -22.268 2.900 -0.651 843 2HD2 LEU 108 1HD2 LEU 108 -22.624 3.029 -2.358 844 3HD2 LEU 108 3HD2 LEU 108 -21.045 3.530 -1.764 845 H GLU 109 HN GLU 109 -25.950 3.946 -2.726 846 HA GLU 109 HA GLU 109 -28.701 4.656 -2.246 847 1HB GLU 109 HB2 GLU 109 -29.181 2.751 -3.792 848 2HB GLU 109 HB1 GLU 109 -28.297 4.117 -4.446 849 1HG GLU 109 HG2 GLU 109 -27.353 2.323 -5.317 850 2HG GLU 109 HG1 GLU 109 -26.206 2.766 -4.066 851 H SER 110 HN SER 110 -26.933 3.528 -0.231 852 HA SER 110 HA SER 110 -27.245 2.568 1.754 853 1HB SER 110 HB2 SER 110 -29.687 2.720 1.678 854 2HB SER 110 HB1 SER 110 -29.781 1.275 0.678 855 HG SER 110 HG SER 110 -29.403 1.552 3.401 856 H HIS 111 HN HIS 111 -28.233 -0.136 -0.410 857 HA HIS 111 HA HIS 111 -26.823 -1.940 1.193 858 1HB HIS 111 HB2 HIS 111 -27.843 -2.261 -1.607 859 2HB HIS 111 HB1 HIS 111 -27.070 -3.584 -0.732 860 HD1 HIS 111 HD1 HIS 111 -30.303 -2.149 -1.361 861 HD2 HIS 111 HD2 HIS 111 -28.483 -4.105 1.808 862 HE1 HIS 111 HE1 HIS 111 -32.175 -2.949 0.134 863 H MET 112 HN MET 112 -25.706 -0.249 -1.612 864 HA MET 112 HA MET 112 -23.266 -1.506 -2.058 865 1HB MET 112 HB2 MET 112 -24.280 1.269 -2.335 866 2HB MET 112 HB1 MET 112 -22.564 0.986 -2.533 867 1HG MET 112 HG2 MET 112 -24.626 -0.550 -4.071 868 2HG MET 112 HG1 MET 112 -24.007 1.006 -4.620 869 1HE MET 112 HE3 MET 112 -21.586 1.541 -4.933 870 2HE MET 112 HE2 MET 112 -20.916 0.726 -3.531 871 3HE MET 112 HE1 MET 112 -20.249 0.387 -5.123 872 H GLN 113 HN GLN 113 -23.998 1.079 0.241 873 HA GLN 113 HA GLN 113 -21.288 1.019 1.189 874 1HB GLN 113 HB2 GLN 113 -22.140 2.712 2.861 875 2HB GLN 113 HB1 GLN 113 -22.055 3.237 1.186 876 1HG GLN 113 HG2 GLN 113 -24.167 3.828 1.376 877 2HG GLN 113 HG1 GLN 113 -24.504 2.159 1.440 878 1HE2 GLN 113 1HE2 GLN 113 -24.482 5.037 3.004 879 2HE2 GLN 113 2HE2 GLN 113 -25.086 4.609 4.564 880 H LYS 114 HN LYS 114 -24.365 -0.094 2.211 881 HA LYS 114 HA LYS 114 -23.670 -1.062 4.727 882 1HB LYS 114 HB2 LYS 114 -25.351 -2.509 2.670 883 2HB LYS 114 HB1 LYS 114 -25.358 -2.829 4.394 884 1HG LYS 114 HG2 LYS 114 -26.117 -0.200 3.176 885 2HG LYS 114 HG1 LYS 114 -27.270 -1.471 3.505 886 1HD LYS 114 HD2 LYS 114 -25.505 -0.137 5.572 887 2HD LYS 114 HD1 LYS 114 -27.175 0.316 5.240 888 1HE LYS 114 HE2 LYS 114 -27.882 -1.962 5.857 889 2HE LYS 114 HE1 LYS 114 -26.211 -2.352 6.262 890 1HZ LYS 114 HZ2 LYS 114 -27.831 -0.226 7.547 891 2HZ LYS 114 HZ1 LYS 114 -27.502 -1.739 8.220 892 3HZ LYS 114 HZ3 LYS 114 -26.257 -0.633 7.960 893 H ASN 115 HN ASN 115 -22.910 -2.354 1.505 894 HA ASN 115 HA ASN 115 -21.691 -4.783 2.355 895 1HB ASN 115 HB2 ASN 115 -21.284 -3.150 -0.156 896 2HB ASN 115 HB1 ASN 115 -20.489 -4.686 0.133 897 1HD2 ASN 115 1HD2 ASN 115 -22.233 -3.966 -1.971 898 2HD2 ASN 115 2HD2 ASN 115 -23.585 -5.034 -1.878 899 H LEU 116 HN LEU 116 -20.594 -1.564 1.781 900 HA LEU 116 HA LEU 116 -17.830 -2.018 2.173 901 1HB LEU 116 HB2 LEU 116 -19.423 0.497 2.620 902 2HB LEU 116 HB1 LEU 116 -17.690 0.386 2.403 903 HG LEU 116 HG LEU 116 -19.723 -0.334 0.285 904 1HD1 LEU 116 2HD1 LEU 116 -19.724 2.065 0.866 905 2HD1 LEU 116 1HD1 LEU 116 -18.010 2.126 0.490 906 3HD1 LEU 116 3HD1 LEU 116 -19.174 1.727 -0.775 907 1HD2 LEU 116 1HD2 LEU 116 -17.591 -1.512 0.090 908 2HD2 LEU 116 3HD2 LEU 116 -17.826 -0.348 -1.211 909 3HD2 LEU 116 2HD2 LEU 116 -16.733 0.032 0.124 910 H LEU 117 HN LEU 117 -20.490 -1.563 4.371 911 HA LEU 117 HA LEU 117 -18.942 -1.048 6.726 912 1HB LEU 117 HB2 LEU 117 -21.696 -2.280 6.585 913 2HB LEU 117 HB1 LEU 117 -20.963 -1.492 7.960 914 HG LEU 117 HG LEU 117 -21.929 -0.192 5.430 915 1HD1 LEU 117 2HD1 LEU 117 -23.694 -0.824 6.951 916 2HD1 LEU 117 1HD1 LEU 117 -22.874 0.018 8.266 917 3HD1 LEU 117 3HD1 LEU 117 -23.507 0.932 6.899 918 1HD2 LEU 117 1HD2 LEU 117 -20.576 1.064 7.804 919 2HD2 LEU 117 3HD2 LEU 117 -19.944 0.911 6.151 920 3HD2 LEU 117 2HD2 LEU 117 -21.372 1.905 6.458 921 H LYS 118 HN LYS 118 -20.341 -3.879 5.182 922 HA LYS 118 HA LYS 118 -19.620 -5.768 7.206 923 1HB LYS 118 HB2 LYS 118 -20.465 -6.077 4.343 924 2HB LYS 118 HB1 LYS 118 -20.299 -7.402 5.487 925 1HG LYS 118 HG2 LYS 118 -22.103 -6.729 6.731 926 2HG LYS 118 HG1 LYS 118 -22.016 -5.078 6.114 927 1HD LYS 118 HD2 LYS 118 -22.763 -5.843 3.929 928 2HD LYS 118 HD1 LYS 118 -22.740 -7.514 4.487 929 1HE LYS 118 HE2 LYS 118 -24.497 -5.328 5.606 930 2HE LYS 118 HE1 LYS 118 -25.016 -6.519 4.414 931 1HZ LYS 118 HZ1 LYS 118 -24.072 -7.155 7.167 932 2HZ LYS 118 HZ3 LYS 118 -25.671 -7.176 6.623 933 3HZ LYS 118 HZ2 LYS 118 -24.562 -8.259 5.996 934 H GLY 119 HN GLY 119 -18.383 -4.827 4.067 935 1HA GLY 119 HA1 GLY 119 -15.943 -6.339 4.640 936 2HA GLY 119 HA2 GLY 119 -15.995 -4.822 3.733 937 H ILE 120 HN ILE 120 -15.884 -5.095 1.671 938 HA ILE 120 HA ILE 120 -17.551 -6.687 0.117 939 HB ILE 120 HB ILE 120 -14.776 -5.720 -0.669 940 1HG1 ILE 120 2HG1 ILE 120 -16.051 -3.836 0.114 941 2HG1 ILE 120 1HG1 ILE 120 -16.010 -3.763 -1.644 942 1HG2 ILE 120 1HG2 ILE 120 -15.674 -7.364 -2.244 943 2HG2 ILE 120 3HG2 ILE 120 -17.156 -6.425 -2.393 944 3HG2 ILE 120 2HG2 ILE 120 -15.631 -5.759 -2.976 945 1HD1 ILE 120 3HD1 ILE 120 -18.293 -4.800 -1.635 946 2HD1 ILE 120 2HD1 ILE 120 -18.251 -4.633 0.127 947 3HD1 ILE 120 1HD1 ILE 120 -18.209 -3.194 -0.879 948 HA PRO 121 HA PRO 121 -15.788 -10.656 0.947 949 1HB PRO 121 HB2 PRO 121 -17.289 -12.133 -0.719 950 2HB PRO 121 HB1 PRO 121 -17.915 -11.438 0.780 951 1HG PRO 121 HG2 PRO 121 -18.269 -10.492 -2.032 952 2HG PRO 121 HG1 PRO 121 -19.430 -10.506 -0.707 953 1HD PRO 121 HD2 PRO 121 -18.050 -8.284 -1.497 954 2HD PRO 121 HD1 PRO 121 -18.693 -8.532 0.139 955 H PHE 122 HN PHE 122 -14.800 -8.969 -1.636 956 HA PHE 122 HA PHE 122 -13.004 -11.009 -2.487 957 1HB PHE 122 HB2 PHE 122 -13.620 -11.022 -4.884 958 2HB PHE 122 HB1 PHE 122 -14.902 -11.689 -3.885 959 HD1 PHE 122 HD1 PHE 122 -13.936 -9.022 -6.173 960 HD2 PHE 122 HD2 PHE 122 -16.985 -10.420 -3.569 961 HE1 PHE 122 HE1 PHE 122 -15.535 -7.475 -7.224 962 HE2 PHE 122 HE2 PHE 122 -18.592 -8.873 -4.609 963 HZ PHE 122 HZ PHE 122 -17.866 -7.399 -6.441 964 H ARG 123 HN ARG 123 -11.176 -10.150 -3.413 965 HA ARG 123 HA ARG 123 -11.358 -7.560 -4.624 966 1HB ARG 123 HB2 ARG 123 -10.843 -7.047 -2.222 967 2HB ARG 123 HB1 ARG 123 -9.370 -8.005 -2.377 968 1HG ARG 123 HG2 ARG 123 -8.393 -6.465 -3.839 969 2HG ARG 123 HG1 ARG 123 -9.935 -5.674 -4.157 970 1HD ARG 123 HD2 ARG 123 -8.713 -4.229 -2.752 971 2HD ARG 123 HD1 ARG 123 -9.949 -4.966 -1.739 972 HE ARG 123 HE ARG 123 -7.101 -5.673 -1.762 973 1HH1 ARG 123 1HH1 ARG 123 -10.125 -5.589 0.034 974 2HH1 ARG 123 2HH1 ARG 123 -9.432 -5.382 1.564 975 1HH2 ARG 123 1HH2 ARG 123 -6.074 -5.280 0.298 976 2HH2 ARG 123 2HH2 ARG 123 -6.966 -5.254 1.738 977 H THR 124 HN THR 124 -10.206 -7.497 -6.339 978 HA THR 124 HA THR 124 -7.785 -9.038 -6.639 979 HB THR 124 HB THR 124 -9.882 -8.925 -8.846 980 HG1 THR 124 HG1 THR 124 -11.025 -10.294 -7.760 981 1HG2 THR 124 1HG2 THR 124 -7.629 -10.861 -8.284 982 2HG2 THR 124 3HG2 THR 124 -8.708 -10.898 -9.683 983 3HG2 THR 124 2HG2 THR 124 -7.606 -9.543 -9.462 984 H LYS 125 HN LYS 125 -6.819 -7.998 -8.893 985 HA LYS 125 HA LYS 125 -6.377 -5.352 -8.175 986 1HB LYS 125 HB2 LYS 125 -5.015 -5.174 -10.196 987 2HB LYS 125 HB1 LYS 125 -4.741 -6.677 -9.348 988 1HG LYS 125 HG2 LYS 125 -6.063 -7.914 -10.935 989 2HG LYS 125 HG1 LYS 125 -6.496 -6.433 -11.783 990 1HD LYS 125 HD2 LYS 125 -3.714 -7.554 -11.496 991 2HD LYS 125 HD1 LYS 125 -4.727 -7.718 -12.929 992 1HE LYS 125 HE2 LYS 125 -4.746 -5.233 -13.131 993 2HE LYS 125 HE1 LYS 125 -3.654 -5.148 -11.753 994 1HZ LYS 125 HZ2 LYS 125 -2.053 -6.472 -13.023 995 2HZ LYS 125 HZ1 LYS 125 -3.069 -6.465 -14.348 996 3HZ LYS 125 HZ3 LYS 125 -2.396 -5.023 -13.792 997 H ALA 126 HN ALA 126 -8.474 -6.611 -10.763 998 HA ALA 126 HA ALA 126 -8.969 -3.960 -11.746 999 1HB ALA 126 HB1 ALA 126 -10.166 -6.609 -12.468 1000 2HB ALA 126 HB2 ALA 126 -8.737 -5.906 -13.207 1001 3HB ALA 126 HB3 ALA 126 -10.315 -5.117 -13.412 1002 H GLU 127 HN GLU 127 -10.381 -6.335 -9.723 1003 HA GLU 127 HA GLU 127 -13.003 -5.233 -9.795 1004 1HB GLU 127 HB2 GLU 127 -11.866 -7.051 -7.684 1005 2HB GLU 127 HB1 GLU 127 -13.559 -6.827 -8.113 1006 1HG GLU 127 HG2 GLU 127 -12.816 -7.656 -10.464 1007 2HG GLU 127 HG1 GLU 127 -11.404 -8.189 -9.644 1008 H PHE 128 HN PHE 128 -10.180 -4.829 -7.772 1009 HA PHE 128 HA PHE 128 -11.337 -3.329 -5.696 1010 1HB PHE 128 HB2 PHE 128 -9.133 -4.165 -5.343 1011 2HB PHE 128 HB1 PHE 128 -8.550 -3.473 -6.848 1012 HD1 PHE 128 HD1 PHE 128 -7.824 -1.255 -6.980 1013 HD2 PHE 128 HD2 PHE 128 -9.601 -2.691 -3.416 1014 HE1 PHE 128 HE1 PHE 128 -7.060 0.779 -5.791 1015 HE2 PHE 128 HE2 PHE 128 -8.850 -0.677 -2.208 1016 HZ PHE 128 HZ PHE 128 -7.587 1.064 -3.403 1017 H GLU 129 HN GLU 129 -9.651 -2.320 -8.647 1018 HA GLU 129 HA GLU 129 -10.226 0.364 -8.084 1019 1HB GLU 129 HB2 GLU 129 -9.323 0.813 -10.362 1020 2HB GLU 129 HB1 GLU 129 -8.249 -0.087 -9.303 1021 1HG GLU 129 HG2 GLU 129 -8.886 -2.141 -10.423 1022 2HG GLU 129 HG1 GLU 129 -9.923 -1.215 -11.508 1023 H ASP 130 HN ASP 130 -11.995 -2.098 -9.551 1024 HA ASP 130 HA ASP 130 -13.821 -0.499 -11.061 1025 1HB ASP 130 HB2 ASP 130 -13.474 -2.972 -11.340 1026 2HB ASP 130 HB1 ASP 130 -14.297 -3.198 -9.814 1027 H VAL 131 HN VAL 131 -13.919 -1.992 -7.843 1028 HA VAL 131 HA VAL 131 -16.403 -0.739 -7.193 1029 HB VAL 131 HB VAL 131 -15.810 -2.819 -5.990 1030 1HG1 VAL 131 3HG1 VAL 131 -13.421 -2.590 -5.963 1031 2HG1 VAL 131 2HG1 VAL 131 -13.550 -1.307 -4.761 1032 3HG1 VAL 131 1HG1 VAL 131 -14.058 -2.950 -4.356 1033 1HG2 VAL 131 3HG2 VAL 131 -15.863 -0.482 -4.111 1034 2HG2 VAL 131 2HG2 VAL 131 -17.275 -1.319 -4.781 1035 3HG2 VAL 131 1HG2 VAL 131 -16.170 -2.164 -3.679 1036 H ILE 132 HN ILE 132 -13.058 0.081 -6.687 1037 HA ILE 132 HA ILE 132 -13.536 2.333 -5.084 1038 HB ILE 132 HB ILE 132 -11.210 1.116 -6.379 1039 1HG1 ILE 132 2HG1 ILE 132 -10.137 1.635 -4.219 1040 2HG1 ILE 132 1HG1 ILE 132 -11.537 2.588 -3.755 1041 1HG2 ILE 132 2HG2 ILE 132 -11.032 3.279 -7.427 1042 2HG2 ILE 132 1HG2 ILE 132 -11.077 4.077 -5.860 1043 3HG2 ILE 132 3HG2 ILE 132 -9.709 3.025 -6.277 1044 1HD1 ILE 132 3HD1 ILE 132 -11.529 -0.382 -4.280 1045 2HD1 ILE 132 2HD1 ILE 132 -11.542 0.365 -2.689 1046 3HD1 ILE 132 1HD1 ILE 132 -12.916 0.572 -3.778 1047 H GLU 133 HN GLU 133 -13.407 1.988 -8.597 1048 HA GLU 133 HA GLU 133 -13.410 4.776 -9.025 1049 1HB GLU 133 HB2 GLU 133 -14.093 4.373 -11.291 1050 2HB GLU 133 HB1 GLU 133 -12.790 3.282 -10.848 1051 1HG GLU 133 HG2 GLU 133 -14.322 1.489 -10.614 1052 2HG GLU 133 HG1 GLU 133 -15.696 2.562 -10.880 1053 H HIS 134 HN HIS 134 -15.841 2.510 -8.254 1054 HA HIS 134 HA HIS 134 -18.107 4.118 -8.891 1055 1HB HIS 134 HB2 HIS 134 -17.959 1.581 -8.506 1056 2HB HIS 134 HB1 HIS 134 -17.939 1.944 -6.788 1057 HD1 HIS 134 HD1 HIS 134 -20.195 0.380 -8.542 1058 HD2 HIS 134 HD2 HIS 134 -20.422 4.184 -6.902 1059 HE1 HIS 134 HE1 HIS 134 -22.653 0.902 -8.322 1060 H MET 135 HN MET 135 -16.063 3.626 -6.146 1061 HA MET 135 HA MET 135 -17.436 5.200 -4.195 1062 1HB MET 135 HB2 MET 135 -14.472 4.649 -4.385 1063 2HB MET 135 HB1 MET 135 -15.311 5.251 -2.972 1064 1HG MET 135 HG2 MET 135 -15.710 2.532 -4.211 1065 2HG MET 135 HG1 MET 135 -14.698 2.866 -2.818 1066 1HE MET 135 HE3 MET 135 -18.161 1.891 -4.090 1067 2HE MET 135 HE2 MET 135 -19.285 2.513 -2.886 1068 3HE MET 135 HE1 MET 135 -18.499 3.617 -4.014 1069 H LYS 136 HN LYS 136 -14.794 5.989 -6.395 1070 HA LYS 136 HA LYS 136 -14.716 8.719 -5.554 1071 1HB LYS 136 HB2 LYS 136 -13.193 9.114 -7.488 1072 2HB LYS 136 HB1 LYS 136 -12.670 7.855 -6.375 1073 1HG LYS 136 HG2 LYS 136 -13.361 6.177 -7.824 1074 2HG LYS 136 HG1 LYS 136 -14.107 7.316 -8.952 1075 1HD LYS 136 HD2 LYS 136 -11.914 6.552 -9.766 1076 2HD LYS 136 HD1 LYS 136 -11.919 8.280 -9.411 1077 1HE LYS 136 HE2 LYS 136 -10.849 7.892 -7.310 1078 2HE LYS 136 HE1 LYS 136 -10.901 6.154 -7.544 1079 1HZ LYS 136 HZ2 LYS 136 -9.412 8.107 -9.238 1080 2HZ LYS 136 HZ1 LYS 136 -8.717 7.113 -8.096 1081 3HZ LYS 136 HZ3 LYS 136 -9.405 6.442 -9.471 1082 H THR 137 HN THR 137 -16.609 6.967 -7.653 1083 HA THR 137 HA THR 137 -17.420 8.988 -9.369 1084 HB THR 137 HB THR 137 -17.855 6.262 -8.691 1085 HG1 THR 137 HG1 THR 137 -16.890 6.487 -10.406 1086 1HG2 THR 137 1HG2 THR 137 -20.285 7.710 -9.666 1087 2HG2 THR 137 3HG2 THR 137 -20.030 5.924 -9.653 1088 3HG2 THR 137 2HG2 THR 137 -19.934 6.826 -8.138 1089 H TYR 138 HN TYR 138 -18.040 8.317 -5.997 1090 HA TYR 138 HA TYR 138 -20.256 10.162 -5.969 1091 1HB TYR 138 HB2 TYR 138 -18.787 8.650 -3.796 1092 2HB TYR 138 HB1 TYR 138 -20.103 9.768 -3.481 1093 HD1 TYR 138 HD1 TYR 138 -19.183 6.447 -4.440 1094 HD2 TYR 138 HD2 TYR 138 -22.354 9.230 -4.357 1095 HE1 TYR 138 HE1 TYR 138 -20.758 4.608 -4.752 1096 HE2 TYR 138 HE2 TYR 138 -23.990 7.404 -4.665 1097 HH TYR 138 HH TYR 138 -23.936 5.118 -5.649 1098 H SER 139 HN SER 139 -17.120 9.727 -4.360 1099 HA SER 139 HA SER 139 -15.673 11.110 -3.421 1100 1HB SER 139 HB2 SER 139 -14.670 12.772 -5.024 1101 2HB SER 139 HB1 SER 139 -14.746 11.108 -5.585 1102 HG SER 139 HG SER 139 -16.002 11.678 -7.133 1103 H GLY 140 HN GLY 140 -18.379 11.865 -2.656 1104 1HA GLY 140 HA1 GLY 140 -19.161 14.326 -2.779 1105 2HA GLY 140 HA2 GLY 140 -17.729 14.449 -1.736 No H/Q in entry = 1105 Start of MODEL 21 1 H1 ALA 1 HT3 ALA 1 33.355 15.517 6.604 2 H2 ALA 1 HT2 ALA 1 32.884 16.913 7.466 3 H3 ALA 1 HT1 ALA 1 32.748 15.394 8.162 4 HA ALA 1 HA ALA 1 30.625 16.089 7.515 5 1HB ALA 1 HB3 ALA 1 31.814 16.302 4.744 6 2HB ALA 1 HB1 ALA 1 31.283 17.649 5.747 7 3HB ALA 1 HB2 ALA 1 30.108 16.482 5.141 8 H GLU 2 HN GLU 2 29.098 14.522 6.502 9 HA GLU 2 HA GLU 2 30.396 11.950 6.374 10 1HB GLU 2 HB2 GLU 2 27.472 12.658 6.590 11 2HB GLU 2 HB1 GLU 2 28.101 11.021 6.485 12 1HG GLU 2 HG2 GLU 2 29.331 11.338 8.554 13 2HG GLU 2 HG1 GLU 2 28.740 12.994 8.658 14 H VAL 3 HN VAL 3 31.159 11.473 4.553 15 HA VAL 3 HA VAL 3 29.480 11.727 2.139 16 HB VAL 3 HB VAL 3 31.597 11.822 0.827 17 1HG1 VAL 3 3HG1 VAL 3 30.453 13.903 1.373 18 2HG1 VAL 3 2HG1 VAL 3 31.355 14.011 2.885 19 3HG1 VAL 3 1HG1 VAL 3 32.202 14.135 1.342 20 1HG2 VAL 3 1HG2 VAL 3 32.930 12.109 3.524 21 2HG2 VAL 3 3HG2 VAL 3 33.090 10.737 2.426 22 3HG2 VAL 3 2HG2 VAL 3 33.720 12.319 1.960 23 H GLU 4 HN GLU 4 30.425 10.149 0.458 24 HA GLU 4 HA GLU 4 29.927 7.530 1.307 25 1HB GLU 4 HB2 GLU 4 31.351 8.670 -1.062 26 2HB GLU 4 HB1 GLU 4 30.954 6.954 -0.924 27 1HG GLU 4 HG2 GLU 4 28.932 9.177 -0.847 28 2HG GLU 4 HG1 GLU 4 29.394 8.342 -2.325 29 H HIS 5 HN HIS 5 31.204 6.284 2.513 30 HA HIS 5 HA HIS 5 33.991 6.984 2.639 31 1HB HIS 5 HB2 HIS 5 34.087 5.403 4.645 32 2HB HIS 5 HB1 HIS 5 33.232 6.912 4.835 33 HD1 HIS 5 HD1 HIS 5 30.945 6.700 5.876 34 HD2 HIS 5 HD2 HIS 5 32.282 3.130 4.213 35 HE1 HIS 5 HE1 HIS 5 29.285 4.952 6.555 36 H TYR 6 HN TYR 6 35.241 4.706 3.434 37 HA TYR 6 HA TYR 6 35.672 3.787 0.729 38 1HB TYR 6 HB2 TYR 6 37.418 3.364 3.131 39 2HB TYR 6 HB1 TYR 6 37.883 3.404 1.426 40 HD1 TYR 6 HD1 TYR 6 37.593 5.304 4.413 41 HD2 TYR 6 HD2 TYR 6 37.456 5.631 0.179 42 HE1 TYR 6 HE1 TYR 6 37.906 7.709 4.604 43 HE2 TYR 6 HE2 TYR 6 37.789 8.061 0.359 44 HH TYR 6 HH TYR 6 37.317 9.802 2.072 45 H GLU 7 HN GLU 7 34.662 2.635 3.803 46 HA GLU 7 HA GLU 7 34.955 -0.135 3.114 47 1HB GLU 7 HB2 GLU 7 33.669 1.295 5.437 48 2HB GLU 7 HB1 GLU 7 33.589 -0.449 5.240 49 1HG GLU 7 HG2 GLU 7 36.130 1.147 5.455 50 2HG GLU 7 HG1 GLU 7 35.367 0.259 6.777 51 HA PRO 8 HA PRO 8 31.133 -0.635 0.985 52 1HB PRO 8 HB2 PRO 8 30.310 -3.005 2.104 53 2HB PRO 8 HB1 PRO 8 31.328 -2.854 0.676 54 1HG PRO 8 HG2 PRO 8 32.113 -3.435 3.499 55 2HG PRO 8 HG1 PRO 8 32.856 -4.003 1.994 56 1HD PRO 8 HD2 PRO 8 33.960 -2.058 3.502 57 2HD PRO 8 HD1 PRO 8 34.088 -2.068 1.729 58 H LEU 9 HN LEU 9 28.994 -0.565 1.295 59 HA LEU 9 HA LEU 9 28.289 0.680 3.843 60 1HB LEU 9 HB2 LEU 9 27.702 1.347 1.130 61 2HB LEU 9 HB1 LEU 9 26.296 0.621 1.767 62 HG LEU 9 HG LEU 9 26.254 3.107 1.994 63 1HD1 LEU 9 3HD1 LEU 9 26.040 1.502 4.526 64 2HD1 LEU 9 2HD1 LEU 9 25.366 3.114 4.286 65 3HD1 LEU 9 1HD1 LEU 9 24.763 1.754 3.340 66 1HD2 LEU 9 2HD2 LEU 9 28.621 3.392 2.620 67 2HD2 LEU 9 1HD2 LEU 9 27.510 4.136 3.780 68 3HD2 LEU 9 3HD2 LEU 9 28.270 2.596 4.159 69 H GLN 10 HN GLN 10 27.469 -0.728 5.245 70 HA GLN 10 HA GLN 10 25.956 -2.922 4.297 71 1HB GLN 10 HB2 GLN 10 26.564 -1.919 7.057 72 2HB GLN 10 HB1 GLN 10 25.427 -3.232 6.796 73 1HG GLN 10 HG2 GLN 10 27.201 -4.451 5.678 74 2HG GLN 10 HG1 GLN 10 28.350 -3.177 6.090 75 1HE2 GLN 10 1HE2 GLN 10 26.544 -5.828 7.210 76 2HE2 GLN 10 2HE2 GLN 10 27.211 -5.874 8.810 77 H VAL 11 HN VAL 11 24.178 -2.315 3.366 78 HA VAL 11 HA VAL 11 22.552 -0.149 4.484 79 HB VAL 11 HB VAL 11 21.852 -1.641 2.017 80 1HG1 VAL 11 2HG1 VAL 11 20.238 -0.154 2.838 81 2HG1 VAL 11 1HG1 VAL 11 21.393 1.185 2.862 82 3HG1 VAL 11 3HG1 VAL 11 20.889 0.472 1.325 83 1HG2 VAL 11 1HG2 VAL 11 24.173 -1.094 1.657 84 2HG2 VAL 11 3HG2 VAL 11 23.134 -0.145 0.608 85 3HG2 VAL 11 2HG2 VAL 11 23.866 0.614 2.029 86 H HIS 12 HN HIS 12 20.955 -0.752 5.754 87 HA HIS 12 HA HIS 12 19.755 -3.356 5.314 88 1HB HIS 12 HB2 HIS 12 19.419 -1.324 7.529 89 2HB HIS 12 HB1 HIS 12 18.487 -2.821 7.394 90 HD1 HIS 12 HD1 HIS 12 19.330 -4.185 9.315 91 HD2 HIS 12 HD2 HIS 12 22.435 -2.453 7.177 92 HE1 HIS 12 HE1 HIS 12 21.464 -5.075 10.328 93 H VAL 13 HN VAL 13 18.491 -3.195 3.696 94 HA VAL 13 HA VAL 13 16.866 -0.812 3.320 95 HB VAL 13 HB VAL 13 18.401 -1.224 1.494 96 1HG1 VAL 13 2HG1 VAL 13 18.748 -3.603 1.703 97 2HG1 VAL 13 1HG1 VAL 13 17.114 -3.896 1.108 98 3HG1 VAL 13 3HG1 VAL 13 18.320 -3.155 0.052 99 1HG2 VAL 13 1HG2 VAL 13 15.578 -1.852 0.763 100 2HG2 VAL 13 3HG2 VAL 13 16.286 -0.236 0.897 101 3HG2 VAL 13 2HG2 VAL 13 16.823 -1.353 -0.377 102 H GLN 14 HN GLN 14 14.913 -0.902 3.765 103 HA GLN 14 HA GLN 14 13.539 -3.454 4.012 104 1HB GLN 14 HB2 GLN 14 13.252 -1.725 5.793 105 2HB GLN 14 HB1 GLN 14 12.529 -0.657 4.599 106 1HG GLN 14 HG2 GLN 14 10.722 -2.240 4.254 107 2HG GLN 14 HG1 GLN 14 11.432 -3.345 5.419 108 1HE2 GLN 14 1HE2 GLN 14 9.575 -0.514 4.938 109 2HE2 GLN 14 2HE2 GLN 14 9.180 -0.245 6.595 110 H LEU 15 HN LEU 15 12.310 -4.170 2.451 111 HA LEU 15 HA LEU 15 11.782 -2.376 0.190 112 1HB LEU 15 HB2 LEU 15 12.040 -5.388 0.257 113 2HB LEU 15 HB1 LEU 15 11.771 -4.428 -1.173 114 HG LEU 15 HG LEU 15 14.238 -4.385 0.548 115 1HD1 LEU 15 2HD1 LEU 15 13.710 -5.604 -2.139 116 2HD1 LEU 15 1HD1 LEU 15 15.298 -5.404 -1.390 117 3HD1 LEU 15 3HD1 LEU 15 14.102 -6.446 -0.630 118 1HD2 LEU 15 3HD2 LEU 15 13.826 -2.222 -0.514 119 2HD2 LEU 15 2HD2 LEU 15 15.228 -3.024 -1.202 120 3HD2 LEU 15 1HD2 LEU 15 13.695 -3.013 -2.086 121 H GLU 16 HN GLU 16 9.770 -1.728 0.242 122 HA GLU 16 HA GLU 16 7.693 -3.403 1.461 123 1HB GLU 16 HB2 GLU 16 7.506 -0.612 0.350 124 2HB GLU 16 HB1 GLU 16 6.235 -1.461 1.194 125 1HG GLU 16 HG2 GLU 16 7.549 -1.437 3.231 126 2HG GLU 16 HG1 GLU 16 8.865 -0.613 2.381 127 H LYS 17 HN LYS 17 5.937 -4.119 0.346 128 HA LYS 17 HA LYS 17 5.873 -3.658 -2.563 129 1HB LYS 17 HB2 LYS 17 5.120 -6.126 -0.975 130 2HB LYS 17 HB1 LYS 17 4.514 -5.842 -2.588 131 1HG LYS 17 HG2 LYS 17 6.302 -7.381 -2.729 132 2HG LYS 17 HG1 LYS 17 6.860 -5.854 -3.400 133 1HD LYS 17 HD2 LYS 17 8.034 -5.400 -1.285 134 2HD LYS 17 HD1 LYS 17 7.489 -6.964 -0.664 135 1HE LYS 17 HE2 LYS 17 9.120 -6.567 -3.152 136 2HE LYS 17 HE1 LYS 17 9.801 -7.019 -1.601 137 1HZ LYS 17 HZ3 LYS 17 7.808 -8.633 -3.134 138 2HZ LYS 17 HZ2 LYS 17 9.463 -8.914 -3.081 139 3HZ LYS 17 HZ1 LYS 17 8.536 -9.076 -1.678 140 H VAL 18 HN VAL 18 4.299 -2.091 -2.718 141 HA VAL 18 HA VAL 18 2.065 -2.303 -0.863 142 HB VAL 18 HB VAL 18 2.319 -0.162 -2.979 143 1HG1 VAL 18 2HG1 VAL 18 0.204 -0.311 -1.921 144 2HG1 VAL 18 1HG1 VAL 18 0.947 -0.163 -0.327 145 3HG1 VAL 18 3HG1 VAL 18 1.015 1.187 -1.462 146 1HG2 VAL 18 2HG2 VAL 18 3.608 -0.046 -0.242 147 2HG2 VAL 18 1HG2 VAL 18 4.440 -0.077 -1.802 148 3HG2 VAL 18 3HG2 VAL 18 3.451 1.310 -1.366 149 H TYR 19 HN TYR 19 0.359 -3.317 -1.482 150 HA TYR 19 HA TYR 19 0.169 -4.143 -4.250 151 1HB TYR 19 HB2 TYR 19 -1.380 -4.929 -1.789 152 2HB TYR 19 HB1 TYR 19 -1.628 -5.612 -3.391 153 HD1 TYR 19 HD1 TYR 19 -0.283 -7.307 -4.169 154 HD2 TYR 19 HD2 TYR 19 0.851 -5.262 -0.658 155 HE1 TYR 19 HE1 TYR 19 1.444 -9.034 -3.728 156 HE2 TYR 19 HE2 TYR 19 2.552 -6.957 -0.184 157 HH TYR 19 HH TYR 19 3.417 -9.347 -2.490 158 H LEU 20 HN LEU 20 -2.190 -4.262 -5.047 159 HA LEU 20 HA LEU 20 -3.145 -1.627 -5.370 160 1HB LEU 20 HB2 LEU 20 -4.662 -4.198 -5.778 161 2HB LEU 20 HB1 LEU 20 -5.104 -2.633 -6.414 162 HG LEU 20 HG LEU 20 -2.711 -4.276 -7.208 163 1HD1 LEU 20 3HD1 LEU 20 -4.796 -5.166 -7.993 164 2HD1 LEU 20 2HD1 LEU 20 -5.249 -3.598 -8.666 165 3HD1 LEU 20 1HD1 LEU 20 -3.875 -4.486 -9.339 166 1HD2 LEU 20 1HD2 LEU 20 -3.669 -1.602 -8.217 167 2HD2 LEU 20 3HD2 LEU 20 -2.179 -1.914 -7.324 168 3HD2 LEU 20 2HD2 LEU 20 -2.389 -2.571 -8.950 169 H ASP 21 HN ASP 21 -4.148 -4.320 -3.394 170 HA ASP 21 HA ASP 21 -6.553 -3.187 -2.411 171 1HB ASP 21 HB2 ASP 21 -6.468 -5.032 -0.735 172 2HB ASP 21 HB1 ASP 21 -6.348 -5.540 -2.420 173 H GLY 22 HN GLY 22 -3.269 -2.910 -1.299 174 1HA GLY 22 HA1 GLY 22 -4.368 -1.298 0.884 175 2HA GLY 22 HA2 GLY 22 -2.920 -0.869 -0.013 176 H ASP 23 HN ASP 23 -3.211 -4.234 0.681 177 HA ASP 23 HA ASP 23 -1.744 -4.013 3.120 178 1HB ASP 23 HB2 ASP 23 -3.146 -6.038 2.637 179 2HB ASP 23 HB1 ASP 23 -2.085 -6.427 1.289 180 H VAL 24 HN VAL 24 0.469 -4.775 3.300 181 HA VAL 24 HA VAL 24 2.009 -4.507 0.916 182 HB VAL 24 HB VAL 24 1.963 -2.231 1.326 183 1HG1 VAL 24 2HG1 VAL 24 0.806 -2.332 3.394 184 2HG1 VAL 24 1HG1 VAL 24 2.272 -2.790 4.268 185 3HG1 VAL 24 3HG1 VAL 24 2.141 -1.177 3.526 186 1HG2 VAL 24 2HG2 VAL 24 4.386 -3.206 2.830 187 2HG2 VAL 24 1HG2 VAL 24 4.248 -2.936 1.091 188 3HG2 VAL 24 3HG2 VAL 24 4.169 -1.566 2.201 189 H SER 25 HN SER 25 3.534 -5.816 0.903 190 HA SER 25 HA SER 25 4.176 -7.341 3.263 191 1HB SER 25 HB2 SER 25 3.820 -8.480 1.085 192 2HB SER 25 HB1 SER 25 5.159 -7.566 0.404 193 HG SER 25 HG SER 25 6.095 -9.336 0.942 194 H ILE 26 HN ILE 26 5.891 -7.053 4.444 195 HA ILE 26 HA ILE 26 7.761 -4.952 3.658 196 HB ILE 26 HB ILE 26 7.140 -6.116 6.381 197 1HG1 ILE 26 2HG1 ILE 26 5.303 -4.747 5.572 198 2HG1 ILE 26 1HG1 ILE 26 6.134 -3.911 6.880 199 1HG2 ILE 26 2HG2 ILE 26 9.447 -5.406 6.265 200 2HG2 ILE 26 1HG2 ILE 26 8.945 -3.828 5.652 201 3HG2 ILE 26 3HG2 ILE 26 8.510 -4.315 7.289 202 1HD1 ILE 26 3HD1 ILE 26 7.283 -2.526 5.203 203 2HD1 ILE 26 2HD1 ILE 26 6.371 -3.365 3.941 204 3HD1 ILE 26 1HD1 ILE 26 5.522 -2.376 5.124 205 H GLU 27 HN GLU 27 9.645 -5.605 2.985 206 HA GLU 27 HA GLU 27 10.647 -8.226 3.822 207 1HB GLU 27 HB2 GLU 27 10.131 -7.982 1.435 208 2HB GLU 27 HB1 GLU 27 11.190 -6.587 1.356 209 1HG GLU 27 HG2 GLU 27 12.326 -8.485 0.452 210 2HG GLU 27 HG1 GLU 27 13.069 -8.046 1.979 211 H HIS 28 HN HIS 28 12.859 -8.310 4.364 212 HA HIS 28 HA HIS 28 14.132 -5.720 4.965 213 1HB HIS 28 HB2 HIS 28 14.086 -8.150 6.749 214 2HB HIS 28 HB1 HIS 28 15.101 -6.752 7.022 215 HD1 HIS 28 HD1 HIS 28 12.784 -7.837 8.962 216 HD2 HIS 28 HD2 HIS 28 12.619 -4.601 6.403 217 HE1 HIS 28 HE1 HIS 28 11.041 -6.286 9.936 218 H LYS 29 HN LYS 29 15.933 -5.569 3.859 219 HA LYS 29 HA LYS 29 17.528 -7.975 3.500 220 1HB LYS 29 HB2 LYS 29 16.780 -5.816 1.653 221 2HB LYS 29 HB1 LYS 29 18.327 -6.580 1.407 222 1HG LYS 29 HG2 LYS 29 16.505 -8.689 1.674 223 2HG LYS 29 HG1 LYS 29 15.649 -7.454 0.756 224 1HD LYS 29 HD2 LYS 29 18.418 -8.377 0.154 225 2HD LYS 29 HD1 LYS 29 16.969 -9.012 -0.654 226 1HE LYS 29 HE2 LYS 29 16.495 -6.927 -1.624 227 2HE LYS 29 HE1 LYS 29 17.655 -6.073 -0.603 228 1HZ LYS 29 HZ2 LYS 29 18.373 -8.060 -2.709 229 2HZ LYS 29 HZ1 LYS 29 18.356 -6.371 -2.860 230 3HZ LYS 29 HZ3 LYS 29 19.416 -7.070 -1.791 231 H HIS 30 HN HIS 30 19.634 -7.775 3.893 232 HA HIS 30 HA HIS 30 20.649 -5.088 4.357 233 1HB HIS 30 HB2 HIS 30 22.181 -5.915 6.118 234 2HB HIS 30 HB1 HIS 30 20.513 -6.175 6.574 235 HD1 HIS 30 HD1 HIS 30 19.763 -8.703 6.867 236 HD2 HIS 30 HD2 HIS 30 23.738 -8.182 5.754 237 HE1 HIS 30 HE1 HIS 30 20.902 -10.903 7.274 238 H GLU 31 HN GLU 31 22.174 -4.544 2.971 239 HA GLU 31 HA GLU 31 23.860 -6.703 1.944 240 1HB GLU 31 HB2 GLU 31 23.482 -6.085 -0.375 241 2HB GLU 31 HB1 GLU 31 21.994 -6.536 0.439 242 1HG GLU 31 HG2 GLU 31 21.442 -4.143 0.680 243 2HG GLU 31 HG1 GLU 31 22.846 -3.772 -0.328 244 H LYS 32 HN LYS 32 25.902 -6.121 1.265 245 HA LYS 32 HA LYS 32 26.652 -3.430 1.992 246 1HB LYS 32 HB2 LYS 32 28.255 -5.873 1.454 247 2HB LYS 32 HB1 LYS 32 28.991 -4.291 1.544 248 1HG LYS 32 HG2 LYS 32 27.947 -4.104 3.815 249 2HG LYS 32 HG1 LYS 32 27.595 -5.820 3.752 250 1HD LYS 32 HD2 LYS 32 30.260 -4.404 3.757 251 2HD LYS 32 HD1 LYS 32 29.675 -5.611 4.890 252 1HE LYS 32 HE2 LYS 32 30.351 -6.089 2.003 253 2HE LYS 32 HE1 LYS 32 31.418 -6.463 3.347 254 1HZ LYS 32 HZ2 LYS 32 29.745 -8.061 4.154 255 2HZ LYS 32 HZ1 LYS 32 28.756 -7.703 2.828 256 3HZ LYS 32 HZ3 LYS 32 30.245 -8.431 2.595 257 H VAL 33 HN VAL 33 27.063 -1.984 0.668 258 HA VAL 33 HA VAL 33 27.444 -2.654 -2.185 259 HB VAL 33 HB VAL 33 26.227 -0.019 -1.206 260 1HG1 VAL 33 2HG1 VAL 33 27.236 -0.055 -3.224 261 2HG1 VAL 33 1HG1 VAL 33 26.178 -1.358 -3.813 262 3HG1 VAL 33 3HG1 VAL 33 25.508 0.228 -3.341 263 1HG2 VAL 33 1HG2 VAL 33 24.922 -1.995 -0.440 264 2HG2 VAL 33 3HG2 VAL 33 24.140 -0.798 -1.439 265 3HG2 VAL 33 2HG2 VAL 33 24.616 -2.359 -2.163 266 H PHE 34 HN PHE 34 29.257 -1.614 -3.182 267 HA PHE 34 HA PHE 34 31.127 -0.530 -1.286 268 1HB PHE 34 HB2 PHE 34 31.383 -1.083 -4.231 269 2HB PHE 34 HB1 PHE 34 32.690 -0.525 -3.191 270 HD1 PHE 34 HD1 PHE 34 32.934 -1.949 -0.975 271 HD2 PHE 34 HD2 PHE 34 31.254 -3.325 -4.616 272 HE1 PHE 34 HE1 PHE 34 33.474 -4.267 -0.332 273 HE2 PHE 34 HE2 PHE 34 31.771 -5.653 -3.984 274 HZ PHE 34 HZ PHE 34 32.890 -6.118 -1.838 275 H SER 35 HN SER 35 28.953 0.722 -3.518 276 HA SER 35 HA SER 35 29.735 3.435 -2.766 277 1HB SER 35 HB2 SER 35 30.731 2.832 -5.057 278 2HB SER 35 HB1 SER 35 29.071 2.627 -5.600 279 HG SER 35 HG SER 35 30.417 4.780 -5.624 280 H MET 36 HN MET 36 27.787 4.477 -2.161 281 HA MET 36 HA MET 36 25.414 2.954 -2.228 282 1HB MET 36 HB2 MET 36 26.002 5.781 -1.592 283 2HB MET 36 HB1 MET 36 24.337 5.236 -1.618 284 1HG MET 36 HG2 MET 36 25.744 3.347 -0.119 285 2HG MET 36 HG1 MET 36 26.372 4.955 0.348 286 1HE MET 36 HE2 MET 36 23.042 4.035 -1.058 287 2HE MET 36 HE1 MET 36 23.042 2.715 0.083 288 3HE MET 36 HE3 MET 36 21.884 4.063 0.267 289 H ASP 37 HN ASP 37 26.786 4.958 -4.383 290 HA ASP 37 HA ASP 37 24.636 5.799 -6.029 291 1HB ASP 37 HB2 ASP 37 26.921 6.631 -6.394 292 2HB ASP 37 HB1 ASP 37 27.427 5.029 -6.912 293 H ASP 38 HN ASP 38 26.409 2.794 -5.869 294 HA ASP 38 HA ASP 38 25.244 1.536 -8.157 295 1HB ASP 38 HB2 ASP 38 27.361 0.684 -7.130 296 2HB ASP 38 HB1 ASP 38 26.414 0.311 -5.688 297 H PHE 39 HN PHE 39 24.614 1.652 -4.743 298 HA PHE 39 HA PHE 39 22.653 -0.229 -4.594 299 1HB PHE 39 HB2 PHE 39 23.738 0.662 -2.653 300 2HB PHE 39 HB1 PHE 39 23.071 2.256 -2.956 301 HD1 PHE 39 HD1 PHE 39 22.317 -1.190 -1.877 302 HD2 PHE 39 HD2 PHE 39 20.829 2.729 -2.410 303 HE1 PHE 39 HE1 PHE 39 20.362 -1.793 -0.543 304 HE2 PHE 39 HE2 PHE 39 18.836 2.147 -1.073 305 HZ PHE 39 HZ PHE 39 18.595 -0.102 -0.148 306 H TRP 40 HN TRP 40 22.581 3.318 -5.029 307 HA TRP 40 HA TRP 40 19.807 3.698 -5.182 308 1HB TRP 40 HB2 TRP 40 21.984 5.419 -6.415 309 2HB TRP 40 HB1 TRP 40 20.317 5.903 -6.166 310 HD1 TRP 40 HD1 TRP 40 23.384 6.832 -4.800 311 HE1 TRP 40 HE1 TRP 40 23.349 7.318 -2.276 312 HE3 TRP 40 HE3 TRP 40 18.926 4.616 -3.587 313 HZ2 TRP 40 HZ2 TRP 40 21.657 6.860 -0.094 314 HZ3 TRP 40 HZ3 TRP 40 18.194 4.696 -1.268 315 HH2 TRP 40 HH2 TRP 40 19.510 5.789 0.434 316 H ALA 41 HN ALA 41 22.201 3.022 -7.580 317 HA ALA 41 HA ALA 41 20.425 3.314 -9.810 318 1HB ALA 41 HB1 ALA 41 23.028 1.793 -9.658 319 2HB ALA 41 HB3 ALA 41 22.202 2.283 -11.140 320 3HB ALA 41 HB2 ALA 41 22.872 3.502 -10.050 321 H ALA 42 HN ALA 42 21.256 0.727 -7.688 322 HA ALA 42 HA ALA 42 20.115 -1.365 -9.211 323 1HB ALA 42 HB3 ALA 42 21.784 -1.706 -7.426 324 2HB ALA 42 HB1 ALA 42 20.330 -2.683 -7.177 325 3HB ALA 42 HB2 ALA 42 20.586 -1.205 -6.244 326 H TYR 43 HN TYR 43 18.833 0.809 -6.702 327 HA TYR 43 HA TYR 43 16.196 -0.458 -7.079 328 1HB TYR 43 HB2 TYR 43 17.255 1.120 -4.743 329 2HB TYR 43 HB1 TYR 43 15.637 0.449 -4.870 330 HD1 TYR 43 HD1 TYR 43 15.253 -1.946 -4.759 331 HD2 TYR 43 HD2 TYR 43 19.151 -0.348 -4.270 332 HE1 TYR 43 HE1 TYR 43 16.019 -4.103 -3.899 333 HE2 TYR 43 HE2 TYR 43 19.930 -2.506 -3.404 334 HH TYR 43 HH TYR 43 19.065 -4.514 -2.409 335 H ALA 44 HN ALA 44 17.655 1.860 -8.528 336 HA ALA 44 HA ALA 44 16.450 4.236 -8.174 337 1HB ALA 44 HB1 ALA 44 18.190 3.793 -9.836 338 2HB ALA 44 HB3 ALA 44 16.996 2.992 -10.862 339 3HB ALA 44 HB2 ALA 44 16.845 4.713 -10.513 340 H GLY 45 HN GLY 45 14.991 1.450 -9.770 341 1HA GLY 45 HA1 GLY 45 12.825 1.084 -10.541 342 2HA GLY 45 HA2 GLY 45 12.704 2.818 -10.769 343 H TRP 46 HN TRP 46 13.334 1.156 -7.710 344 HA TRP 46 HA TRP 46 10.781 1.097 -6.594 345 1HB TRP 46 HB2 TRP 46 13.485 1.396 -5.271 346 2HB TRP 46 HB1 TRP 46 12.001 0.895 -4.479 347 HD1 TRP 46 HD1 TRP 46 14.151 -0.395 -7.459 348 HE1 TRP 46 HE1 TRP 46 14.242 -2.950 -7.301 349 HE3 TRP 46 HE3 TRP 46 11.295 -1.020 -3.298 350 HZ2 TRP 46 HZ2 TRP 46 13.240 -4.966 -5.628 351 HZ3 TRP 46 HZ3 TRP 46 10.909 -3.283 -2.483 352 HH2 TRP 46 HH2 TRP 46 11.867 -5.222 -3.633 353 H THR 47 HN THR 47 9.952 2.546 -4.860 354 HA THR 47 HA THR 47 10.557 5.319 -5.337 355 HB THR 47 HB THR 47 8.494 3.922 -3.644 356 HG1 THR 47 HG1 THR 47 8.639 4.631 -6.329 357 1HG2 THR 47 1HG2 THR 47 8.662 6.779 -4.604 358 2HG2 THR 47 3HG2 THR 47 7.306 6.059 -3.721 359 3HG2 THR 47 2HG2 THR 47 8.888 6.195 -2.943 360 H LEU 48 HN LEU 48 12.037 6.278 -4.034 361 HA LEU 48 HA LEU 48 13.003 5.044 -1.650 362 1HB LEU 48 HB2 LEU 48 14.411 6.372 -3.246 363 2HB LEU 48 HB1 LEU 48 13.544 7.810 -2.780 364 HG LEU 48 HG LEU 48 15.899 7.488 -1.847 365 1HD1 LEU 48 2HD1 LEU 48 14.422 9.152 -0.891 366 2HD1 LEU 48 1HD1 LEU 48 13.733 7.936 0.197 367 3HD1 LEU 48 3HD1 LEU 48 15.443 8.377 0.324 368 1HD2 LEU 48 3HD2 LEU 48 15.761 5.147 -1.257 369 2HD2 LEU 48 2HD2 LEU 48 16.126 6.132 0.161 370 3HD2 LEU 48 1HD2 LEU 48 14.501 5.505 -0.074 371 H VAL 49 HN VAL 49 11.824 5.041 0.105 372 HA VAL 49 HA VAL 49 9.768 7.024 0.492 373 HB VAL 49 HB VAL 49 10.525 4.647 2.222 374 1HG1 VAL 49 1HG1 VAL 49 9.230 6.320 3.437 375 2HG1 VAL 49 3HG1 VAL 49 8.005 6.302 2.167 376 3HG1 VAL 49 2HG1 VAL 49 8.277 4.864 3.153 377 1HG2 VAL 49 3HG2 VAL 49 8.444 4.896 0.079 378 2HG2 VAL 49 2HG2 VAL 49 9.923 3.944 0.004 379 3HG2 VAL 49 1HG2 VAL 49 8.655 3.512 1.152 380 H GLU 50 HN GLU 50 12.524 5.737 2.320 381 HA GLU 50 HA GLU 50 13.269 8.360 3.157 382 1HB GLU 50 HB2 GLU 50 13.210 7.836 5.590 383 2HB GLU 50 HB1 GLU 50 11.585 7.888 4.896 384 1HG GLU 50 HG2 GLU 50 11.549 5.502 4.867 385 2HG GLU 50 HG1 GLU 50 13.199 5.437 5.488 386 H GLN 51 HN GLN 51 15.365 8.338 3.993 387 HA GLN 51 HA GLN 51 16.645 5.775 4.281 388 1HB GLN 51 HB2 GLN 51 18.603 6.544 3.027 389 2HB GLN 51 HB1 GLN 51 17.147 6.433 2.042 390 1HG GLN 51 HG2 GLN 51 16.900 8.794 2.008 391 2HG GLN 51 HG1 GLN 51 18.199 9.000 3.189 392 1HE2 GLN 51 1HE2 GLN 51 17.418 8.055 -0.012 393 2HE2 GLN 51 2HE2 GLN 51 19.010 8.152 -0.692 394 H LYS 52 HN LYS 52 18.255 5.744 5.683 395 HA LYS 52 HA LYS 52 19.247 8.187 6.840 396 1HB LYS 52 HB2 LYS 52 19.071 6.975 9.122 397 2HB LYS 52 HB1 LYS 52 17.583 7.637 8.457 398 1HG LYS 52 HG2 LYS 52 17.069 5.402 7.555 399 2HG LYS 52 HG1 LYS 52 18.443 4.738 8.438 400 1HD LYS 52 HD2 LYS 52 16.488 4.320 9.732 401 2HD LYS 52 HD1 LYS 52 17.336 5.639 10.537 402 1HE LYS 52 HE2 LYS 52 15.897 7.245 9.475 403 2HE LYS 52 HE1 LYS 52 15.121 5.944 8.572 404 1HZ LYS 52 HZ3 LYS 52 15.052 6.234 11.537 405 2HZ LYS 52 HZ2 LYS 52 13.803 6.671 10.504 406 3HZ LYS 52 HZ1 LYS 52 14.240 5.058 10.647 407 H LYS 53 HN LYS 53 21.451 7.683 7.785 408 HA LYS 53 HA LYS 53 22.654 5.947 5.925 409 1HB LYS 53 HB2 LYS 53 23.764 8.017 6.691 410 2HB LYS 53 HB1 LYS 53 23.976 7.297 8.274 411 1HG LYS 53 HG2 LYS 53 26.007 7.235 6.865 412 2HG LYS 53 HG1 LYS 53 25.488 5.625 7.398 413 1HD LYS 53 HD2 LYS 53 26.207 5.594 5.066 414 2HD LYS 53 HD1 LYS 53 24.475 5.293 5.157 415 1HE LYS 53 HE2 LYS 53 24.865 6.821 3.341 416 2HE LYS 53 HE1 LYS 53 24.114 7.693 4.681 417 1HZ LYS 53 HZ3 LYS 53 26.270 8.608 5.268 418 2HZ LYS 53 HZ2 LYS 53 27.006 7.737 4.019 419 3HZ LYS 53 HZ1 LYS 53 25.894 8.932 3.662 420 H GLY 54 HN GLY 54 22.320 3.952 6.037 421 1HA GLY 54 HA1 GLY 54 22.741 2.533 8.561 422 2HA GLY 54 HA2 GLY 54 23.521 1.996 7.071 423 H TYR 55 HN TYR 55 20.284 3.388 7.021 424 HA TYR 55 HA TYR 55 19.262 0.818 6.248 425 1HB TYR 55 HB2 TYR 55 18.709 0.822 8.528 426 2HB TYR 55 HB1 TYR 55 18.425 2.548 8.559 427 HD1 TYR 55 HD1 TYR 55 16.468 3.429 7.609 428 HD2 TYR 55 HD2 TYR 55 16.924 -0.714 8.029 429 HE1 TYR 55 HE1 TYR 55 14.033 3.201 7.377 430 HE2 TYR 55 HE2 TYR 55 14.487 -1.047 7.791 431 HH TYR 55 HH TYR 55 12.430 1.411 6.698 432 H VAL 56 HN VAL 56 17.966 1.026 4.555 433 HA VAL 56 HA VAL 56 16.956 3.684 3.866 434 HB VAL 56 HB VAL 56 18.198 1.683 1.920 435 1HG1 VAL 56 3HG1 VAL 56 16.829 4.302 1.346 436 2HG1 VAL 56 2HG1 VAL 56 17.680 3.303 0.170 437 3HG1 VAL 56 1HG1 VAL 56 16.212 2.702 0.940 438 1HG2 VAL 56 2HG2 VAL 56 19.810 3.118 3.161 439 2HG2 VAL 56 1HG2 VAL 56 19.782 3.442 1.421 440 3HG2 VAL 56 3HG2 VAL 56 18.958 4.531 2.525 441 H LEU 57 HN LEU 57 14.867 3.726 3.077 442 HA LEU 57 HA LEU 57 13.538 1.153 3.019 443 1HB LEU 57 HB2 LEU 57 12.804 2.241 4.970 444 2HB LEU 57 HB1 LEU 57 12.751 3.794 4.181 445 HG LEU 57 HG LEU 57 10.661 3.224 3.089 446 1HD1 LEU 57 1HD1 LEU 57 11.111 1.128 2.478 447 2HD1 LEU 57 3HD1 LEU 57 10.872 0.494 4.137 448 3HD1 LEU 57 2HD1 LEU 57 9.550 1.338 3.251 449 1HD2 LEU 57 3HD2 LEU 57 10.610 2.416 5.976 450 2HD2 LEU 57 2HD2 LEU 57 10.450 4.051 5.319 451 3HD2 LEU 57 1HD2 LEU 57 9.212 2.850 4.983 452 H PHE 58 HN PHE 58 13.029 0.598 1.100 453 HA PHE 58 HA PHE 58 12.167 2.575 -0.908 454 1HB PHE 58 HB2 PHE 58 13.966 0.212 -1.098 455 2HB PHE 58 HB1 PHE 58 12.839 0.462 -2.415 456 HD1 PHE 58 HD1 PHE 58 16.014 1.344 -1.071 457 HD2 PHE 58 HD2 PHE 58 12.869 2.714 -3.556 458 HE1 PHE 58 HE1 PHE 58 17.552 2.939 -2.178 459 HE2 PHE 58 HE2 PHE 58 14.384 4.299 -4.630 460 HZ PHE 58 HZ PHE 58 16.735 4.408 -3.945 461 H ARG 59 HN ARG 59 10.364 2.078 -2.064 462 HA ARG 59 HA ARG 59 9.109 -0.476 -1.399 463 1HB ARG 59 HB2 ARG 59 6.878 0.570 -1.556 464 2HB ARG 59 HB1 ARG 59 7.851 1.252 -0.256 465 1HG ARG 59 HG2 ARG 59 8.307 3.187 -1.621 466 2HG ARG 59 HG1 ARG 59 7.371 2.460 -2.936 467 1HD ARG 59 HD2 ARG 59 6.165 4.124 -1.629 468 2HD ARG 59 HD1 ARG 59 5.367 2.555 -1.681 469 HE ARG 59 HE ARG 59 6.873 2.471 0.623 470 1HH1 ARG 59 1HH1 ARG 59 4.419 4.782 -0.473 471 2HH1 ARG 59 2HH1 ARG 59 3.789 5.012 1.085 472 1HH2 ARG 59 1HH2 ARG 59 6.102 2.791 2.608 473 2HH2 ARG 59 2HH2 ARG 59 4.783 3.850 2.952 474 H LYS 60 HN LYS 60 8.306 -1.602 -2.966 475 HA LYS 60 HA LYS 60 8.219 -0.408 -5.621 476 1HB LYS 60 HB2 LYS 60 10.055 -1.924 -5.572 477 2HB LYS 60 HB1 LYS 60 9.102 -3.183 -4.801 478 1HG LYS 60 HG2 LYS 60 9.255 -3.848 -7.036 479 2HG LYS 60 HG1 LYS 60 7.682 -3.052 -6.916 480 1HD LYS 60 HD2 LYS 60 8.769 -2.297 -8.940 481 2HD LYS 60 HD1 LYS 60 8.723 -0.970 -7.777 482 1HE LYS 60 HE2 LYS 60 10.942 -1.133 -7.255 483 2HE LYS 60 HE1 LYS 60 11.179 -2.691 -7.998 484 1HZ LYS 60 HZ2 LYS 60 10.462 -0.181 -9.437 485 2HZ LYS 60 HZ1 LYS 60 12.008 -0.896 -9.418 486 3HZ LYS 60 HZ3 LYS 60 10.708 -1.664 -10.149 487 H GLN 61 HN GLN 61 6.206 -0.125 -5.895 488 HA GLN 61 HA GLN 61 4.385 -2.127 -4.893 489 1HB GLN 61 HB2 GLN 61 2.602 -0.357 -5.229 490 2HB GLN 61 HB1 GLN 61 3.846 -0.062 -4.016 491 1HG GLN 61 HG2 GLN 61 5.017 1.339 -5.586 492 2HG GLN 61 HG1 GLN 61 3.637 1.172 -6.705 493 1HE2 GLN 61 1HE2 GLN 61 4.817 2.434 -3.749 494 2HE2 GLN 61 2HE2 GLN 61 3.534 3.525 -3.392 495 H MET 62 HN MET 62 3.225 -3.317 -6.094 496 HA MET 62 HA MET 62 3.710 -3.120 -8.964 497 1HB MET 62 HB2 MET 62 3.972 -5.476 -7.102 498 2HB MET 62 HB1 MET 62 3.811 -5.687 -8.841 499 1HG MET 62 HG2 MET 62 5.846 -4.535 -9.270 500 2HG MET 62 HG1 MET 62 5.910 -3.922 -7.629 501 1HE MET 62 HE3 MET 62 6.931 -5.080 -5.651 502 2HE MET 62 HE2 MET 62 5.601 -6.233 -5.643 503 3HE MET 62 HE1 MET 62 7.260 -6.802 -5.519 504 H ASP 63 HN ASP 63 2.121 -4.157 -10.277 505 HA ASP 63 HA ASP 63 -0.466 -3.482 -9.164 506 1HB ASP 63 HB2 ASP 63 0.230 -4.186 -12.016 507 2HB ASP 63 HB1 ASP 63 -1.340 -3.643 -11.448 508 H ASP 64 HN ASP 64 -0.899 -5.155 -7.821 509 HA ASP 64 HA ASP 64 -2.633 -7.041 -8.873 510 1HB ASP 64 HB2 ASP 64 -0.228 -8.136 -9.279 511 2HB ASP 64 HB1 ASP 64 -0.317 -8.461 -7.548 512 H ILE 65 HN ILE 65 -3.028 -8.675 -6.792 513 HA ILE 65 HA ILE 65 -3.117 -6.759 -4.578 514 HB ILE 65 HB ILE 65 -5.063 -7.944 -3.674 515 1HG1 ILE 65 2HG1 ILE 65 -4.936 -9.546 -6.219 516 2HG1 ILE 65 1HG1 ILE 65 -4.620 -10.164 -4.615 517 1HG2 ILE 65 2HG2 ILE 65 -5.435 -6.974 -6.493 518 2HG2 ILE 65 1HG2 ILE 65 -6.727 -7.202 -5.312 519 3HG2 ILE 65 3HG2 ILE 65 -5.465 -6.012 -5.016 520 1HD1 ILE 65 3HD1 ILE 65 -6.964 -9.746 -3.973 521 2HD1 ILE 65 2HD1 ILE 65 -7.292 -9.150 -5.597 522 3HD1 ILE 65 1HD1 ILE 65 -6.845 -10.835 -5.353 523 H SER 66 HN SER 66 -3.258 -7.816 -2.487 524 HA SER 66 HA SER 66 -0.924 -9.433 -2.164 525 1HB SER 66 HB2 SER 66 -1.471 -9.235 0.271 526 2HB SER 66 HB1 SER 66 -1.414 -7.678 -0.561 527 HG SER 66 HG SER 66 -3.439 -7.384 -0.105 528 HA PRO 67 HA PRO 67 -2.814 -13.479 -1.945 529 1HB PRO 67 HB2 PRO 67 -1.469 -14.519 0.246 530 2HB PRO 67 HB1 PRO 67 -0.830 -14.519 -1.400 531 1HG PRO 67 HG2 PRO 67 -0.254 -12.650 0.857 532 2HG PRO 67 HG1 PRO 67 0.854 -13.304 -0.362 533 1HD PRO 67 HD2 PRO 67 -0.085 -10.797 -0.510 534 2HD PRO 67 HD1 PRO 67 0.182 -11.772 -1.966 535 H LEU 68 HN LEU 68 -2.488 -11.447 0.847 536 HA LEU 68 HA LEU 68 -4.384 -12.748 2.500 537 1HB LEU 68 HB2 LEU 68 -2.454 -11.046 3.075 538 2HB LEU 68 HB1 LEU 68 -3.669 -9.838 2.744 539 HG LEU 68 HG LEU 68 -3.444 -10.237 5.154 540 1HD1 LEU 68 1HD1 LEU 68 -5.690 -9.630 4.355 541 2HD1 LEU 68 3HD1 LEU 68 -6.055 -11.355 4.189 542 3HD1 LEU 68 2HD1 LEU 68 -5.736 -10.679 5.780 543 1HD2 LEU 68 2HD2 LEU 68 -2.653 -12.504 5.066 544 2HD2 LEU 68 1HD2 LEU 68 -4.056 -12.382 6.136 545 3HD2 LEU 68 3HD2 LEU 68 -4.233 -13.061 4.517 546 H SER 69 HN SER 69 -4.493 -10.084 0.131 547 HA SER 69 HA SER 69 -7.083 -9.209 0.609 548 1HB SER 69 HB2 SER 69 -5.414 -8.118 -0.905 549 2HB SER 69 HB1 SER 69 -5.690 -9.403 -2.071 550 HG SER 69 HG SER 69 -6.878 -7.296 -2.181 551 H LYS 70 HN LYS 70 -5.907 -12.009 -1.101 552 HA LYS 70 HA LYS 70 -8.389 -12.734 -2.306 553 1HB LYS 70 HB2 LYS 70 -5.999 -14.481 -1.742 554 2HB LYS 70 HB1 LYS 70 -7.253 -14.751 -2.951 555 1HG LYS 70 HG2 LYS 70 -6.579 -12.758 -4.134 556 2HG LYS 70 HG1 LYS 70 -5.349 -12.430 -2.921 557 1HD LYS 70 HD2 LYS 70 -4.307 -14.589 -3.500 558 2HD LYS 70 HD1 LYS 70 -5.465 -14.756 -4.828 559 1HE LYS 70 HE2 LYS 70 -4.709 -12.479 -5.599 560 2HE LYS 70 HE1 LYS 70 -3.420 -12.599 -4.419 561 1HZ LYS 70 HZ2 LYS 70 -2.590 -14.593 -5.541 562 2HZ LYS 70 HZ1 LYS 70 -3.811 -14.478 -6.693 563 3HZ LYS 70 HZ3 LYS 70 -2.638 -13.281 -6.594 564 H VAL 71 HN VAL 71 -7.099 -13.133 0.846 565 HA VAL 71 HA VAL 71 -9.051 -15.249 1.497 566 HB VAL 71 HB VAL 71 -7.865 -15.705 3.481 567 1HG1 VAL 71 2HG1 VAL 71 -6.540 -16.334 1.585 568 2HG1 VAL 71 1HG1 VAL 71 -5.799 -14.721 1.611 569 3HG1 VAL 71 3HG1 VAL 71 -5.500 -15.838 2.941 570 1HG2 VAL 71 2HG2 VAL 71 -7.800 -13.459 4.431 571 2HG2 VAL 71 1HG2 VAL 71 -6.222 -14.248 4.568 572 3HG2 VAL 71 3HG2 VAL 71 -6.504 -13.040 3.314 573 H ASN 72 HN ASN 72 -8.433 -11.983 1.772 574 HA ASN 72 HA ASN 72 -10.373 -11.513 3.914 575 1HB ASN 72 HB2 ASN 72 -8.192 -10.414 4.070 576 2HB ASN 72 HB1 ASN 72 -8.467 -9.607 2.537 577 1HD2 ASN 72 1HD2 ASN 72 -8.390 -7.530 3.319 578 2HD2 ASN 72 2HD2 ASN 72 -9.553 -6.906 4.426 579 H GLY 73 HN GLY 73 -9.650 -9.583 1.019 580 1HA GLY 73 HA1 GLY 73 -12.152 -9.905 -0.220 581 2HA GLY 73 HA2 GLY 73 -10.955 -8.675 -0.572 582 H TYR 74 HN TYR 74 -11.083 -7.704 2.261 583 HA TYR 74 HA TYR 74 -13.765 -6.653 2.339 584 1HB TYR 74 HB2 TYR 74 -11.834 -7.384 4.467 585 2HB TYR 74 HB1 TYR 74 -12.892 -6.009 4.754 586 HD1 TYR 74 HD1 TYR 74 -12.982 -9.603 3.760 587 HD2 TYR 74 HD2 TYR 74 -15.008 -6.341 5.546 588 HE1 TYR 74 HE1 TYR 74 -14.814 -11.099 4.422 589 HE2 TYR 74 HE2 TYR 74 -16.835 -7.822 6.220 590 HH TYR 74 HH TYR 74 -16.568 -11.203 6.038 591 H ILE 75 HN ILE 75 -14.036 -4.832 1.863 592 HA ILE 75 HA ILE 75 -11.949 -2.798 2.025 593 HB ILE 75 HB ILE 75 -14.131 -3.410 0.148 594 1HG1 ILE 75 2HG1 ILE 75 -11.283 -2.708 -0.395 595 2HG1 ILE 75 1HG1 ILE 75 -11.934 -4.335 -0.216 596 1HG2 ILE 75 3HG2 ILE 75 -12.641 -0.731 0.334 597 2HG2 ILE 75 2HG2 ILE 75 -13.703 -1.152 -1.007 598 3HG2 ILE 75 1HG2 ILE 75 -14.363 -0.970 0.620 599 1HD1 ILE 75 1HD1 ILE 75 -13.353 -3.910 -2.206 600 2HD1 ILE 75 3HD1 ILE 75 -12.640 -2.309 -2.348 601 3HD1 ILE 75 2HD1 ILE 75 -11.641 -3.743 -2.579 602 H GLY 76 HN GLY 76 -12.501 -1.216 3.401 603 1HA GLY 76 HA1 GLY 76 -14.120 -1.077 5.328 604 2HA GLY 76 HA2 GLY 76 -15.351 -1.048 4.079 605 H VAL 77 HN VAL 77 -16.038 0.878 5.021 606 HA VAL 77 HA VAL 77 -14.153 3.036 4.646 607 HB VAL 77 HB VAL 77 -15.879 4.618 4.133 608 1HG1 VAL 77 3HG1 VAL 77 -15.908 2.278 2.273 609 2HG1 VAL 77 2HG1 VAL 77 -16.491 3.909 1.884 610 3HG1 VAL 77 1HG1 VAL 77 -14.799 3.640 2.313 611 1HG2 VAL 77 2HG2 VAL 77 -17.755 2.295 4.275 612 2HG2 VAL 77 1HG2 VAL 77 -17.698 3.756 5.282 613 3HG2 VAL 77 3HG2 VAL 77 -18.179 3.880 3.584 614 H SER 78 HN SER 78 -14.185 4.627 5.997 615 HA SER 78 HA SER 78 -15.408 4.056 8.558 616 1HB SER 78 HB2 SER 78 -13.562 6.317 7.728 617 2HB SER 78 HB1 SER 78 -14.054 5.907 9.373 618 HG SER 78 HG SER 78 -12.811 4.247 9.399 619 H ASP 79 HN ASP 79 -16.472 6.161 9.609 620 HA ASP 79 HA ASP 79 -18.879 6.490 8.414 621 1HB ASP 79 HB2 ASP 79 -17.522 8.285 10.410 622 2HB ASP 79 HB1 ASP 79 -19.242 8.239 10.060 623 H ASN 80 HN ASN 80 -16.085 8.432 7.852 624 HA ASN 80 HA ASN 80 -17.684 10.520 6.631 625 1HB ASN 80 HB2 ASN 80 -14.720 10.278 7.122 626 2HB ASN 80 HB1 ASN 80 -15.402 11.564 6.146 627 1HD2 ASN 80 1HD2 ASN 80 -15.032 10.300 9.351 628 2HD2 ASN 80 2HD2 ASN 80 -15.626 11.693 10.179 629 H GLY 81 HN GLY 81 -16.908 7.604 5.571 630 1HA GLY 81 HA1 GLY 81 -16.847 8.334 2.784 631 2HA GLY 81 HA2 GLY 81 -17.059 6.727 3.466 632 H VAL 82 HN VAL 82 -14.784 6.791 5.104 633 HA VAL 82 HA VAL 82 -12.502 7.396 3.403 634 HB VAL 82 HB VAL 82 -12.413 5.938 6.056 635 1HG1 VAL 82 2HG1 VAL 82 -10.375 5.787 4.761 636 2HG1 VAL 82 1HG1 VAL 82 -10.333 7.542 4.589 637 3HG1 VAL 82 3HG1 VAL 82 -10.135 6.806 6.181 638 1HG2 VAL 82 3HG2 VAL 82 -13.592 8.038 6.340 639 2HG2 VAL 82 2HG2 VAL 82 -11.998 8.120 7.096 640 3HG2 VAL 82 1HG2 VAL 82 -12.281 8.909 5.540 641 H ILE 83 HN ILE 83 -11.517 6.092 2.113 642 HA ILE 83 HA ILE 83 -12.718 3.558 1.401 643 HB ILE 83 HB ILE 83 -10.594 5.178 -0.100 644 1HG1 ILE 83 2HG1 ILE 83 -12.580 6.488 0.215 645 2HG1 ILE 83 1HG1 ILE 83 -12.540 5.928 -1.456 646 1HG2 ILE 83 1HG2 ILE 83 -10.727 2.815 -0.892 647 2HG2 ILE 83 3HG2 ILE 83 -12.465 3.007 -1.125 648 3HG2 ILE 83 2HG2 ILE 83 -11.335 3.942 -2.102 649 1HD1 ILE 83 1HD1 ILE 83 -14.114 4.136 -0.869 650 2HD1 ILE 83 3HD1 ILE 83 -14.149 4.751 0.786 651 3HD1 ILE 83 2HD1 ILE 83 -14.780 5.735 -0.552 652 H SER 84 HN SER 84 -11.483 3.055 3.629 653 HA SER 84 HA SER 84 -8.686 2.218 3.016 654 1HB SER 84 HB2 SER 84 -9.982 2.415 5.734 655 2HB SER 84 HB1 SER 84 -8.272 2.170 5.388 656 HG SER 84 HG SER 84 -9.493 4.351 5.793 657 H THR 85 HN THR 85 -8.169 0.015 3.044 658 HA THR 85 HA THR 85 -10.466 -1.668 3.419 659 HB THR 85 HB THR 85 -9.089 -3.498 2.478 660 HG1 THR 85 HG1 THR 85 -7.007 -2.356 1.527 661 1HG2 THR 85 1HG2 THR 85 -10.279 -1.895 1.015 662 2HG2 THR 85 3HG2 THR 85 -8.780 -0.977 0.855 663 3HG2 THR 85 2HG2 THR 85 -8.868 -2.638 0.258 664 H PHE 86 HN PHE 86 -10.507 -3.469 4.772 665 HA PHE 86 HA PHE 86 -8.741 -3.228 7.046 666 1HB PHE 86 HB2 PHE 86 -11.738 -3.538 7.040 667 2HB PHE 86 HB1 PHE 86 -10.767 -3.959 8.436 668 HD1 PHE 86 HD1 PHE 86 -11.263 -1.142 6.105 669 HD2 PHE 86 HD2 PHE 86 -10.549 -2.405 10.052 670 HE1 PHE 86 HE1 PHE 86 -11.512 1.214 6.881 671 HE2 PHE 86 HE2 PHE 86 -10.766 -0.082 10.871 672 HZ PHE 86 HZ PHE 86 -11.248 1.732 9.276 673 H HIS 87 HN HIS 87 -8.388 -5.293 8.080 674 HA HIS 87 HA HIS 87 -9.125 -7.493 6.384 675 1HB HIS 87 HB2 HIS 87 -7.678 -8.882 8.080 676 2HB HIS 87 HB1 HIS 87 -6.878 -7.846 6.918 677 HD1 HIS 87 HD1 HIS 87 -4.958 -6.652 7.954 678 HD2 HIS 87 HD2 HIS 87 -8.020 -7.322 10.692 679 HE1 HIS 87 HE1 HIS 87 -4.156 -5.721 10.150 680 H GLY 88 HN GLY 88 -10.966 -8.259 6.549 681 1HA GLY 88 HA1 GLY 88 -12.062 -8.951 9.141 682 2HA GLY 88 HA2 GLY 88 -12.720 -9.394 7.561 683 H ARG 89 HN ARG 89 -14.440 -8.464 9.417 684 HA ARG 89 HA ARG 89 -15.845 -6.383 8.294 685 1HB ARG 89 HB2 ARG 89 -15.767 -7.215 11.216 686 2HB ARG 89 HB1 ARG 89 -16.931 -6.120 10.501 687 1HG ARG 89 HG2 ARG 89 -16.638 -8.853 9.425 688 2HG ARG 89 HG1 ARG 89 -17.597 -8.535 10.875 689 1HD ARG 89 HD2 ARG 89 -17.970 -7.235 8.171 690 2HD ARG 89 HD1 ARG 89 -18.976 -8.488 8.894 691 HE ARG 89 HE ARG 89 -18.681 -5.867 10.191 692 1HH1 ARG 89 1HH1 ARG 89 -20.797 -8.376 8.826 693 2HH1 ARG 89 2HH1 ARG 89 -22.241 -7.621 9.275 694 1HH2 ARG 89 1HH2 ARG 89 -20.704 -4.790 10.816 695 2HH2 ARG 89 2HH2 ARG 89 -22.181 -5.520 10.433 696 HA PRO 90 HA PRO 90 -13.265 -2.903 9.396 697 1HB PRO 90 HB2 PRO 90 -15.076 -0.993 8.472 698 2HB PRO 90 HB1 PRO 90 -13.808 -1.749 7.505 699 1HG PRO 90 HG2 PRO 90 -16.707 -2.225 7.491 700 2HG PRO 90 HG1 PRO 90 -15.518 -2.600 6.250 701 1HD PRO 90 HD2 PRO 90 -16.743 -4.396 8.003 702 2HD PRO 90 HD1 PRO 90 -15.341 -4.761 6.999 703 H GLU 91 HN GLU 91 -13.431 -3.142 11.543 704 HA GLU 91 HA GLU 91 -15.327 -1.430 12.921 705 1HB GLU 91 HB2 GLU 91 -15.821 -3.259 14.544 706 2HB GLU 91 HB1 GLU 91 -16.230 -3.732 12.920 707 1HG GLU 91 HG2 GLU 91 -14.175 -5.009 12.741 708 2HG GLU 91 HG1 GLU 91 -13.751 -4.548 14.392 709 HA PRO 92 HA PRO 92 -11.648 -0.323 15.257 710 1HB PRO 92 HB2 PRO 92 -12.315 -0.733 17.889 711 2HB PRO 92 HB1 PRO 92 -12.713 0.737 16.976 712 1HG PRO 92 HG2 PRO 92 -14.397 -1.590 17.722 713 2HG PRO 92 HG1 PRO 92 -14.862 0.100 17.495 714 1HD PRO 92 HD2 PRO 92 -15.332 -1.910 15.712 715 2HD PRO 92 HD1 PRO 92 -15.215 -0.194 15.235 716 H ALA 93 HN ALA 93 -12.998 -3.409 15.801 717 HA ALA 93 HA ALA 93 -10.704 -4.445 17.201 718 1HB ALA 93 HB1 ALA 93 -12.931 -5.312 17.645 719 2HB ALA 93 HB2 ALA 93 -11.861 -6.600 17.072 720 3HB ALA 93 HB3 ALA 93 -13.064 -5.891 15.986 721 H SER 94 HN SER 94 -11.325 -3.568 14.135 722 HA SER 94 HA SER 94 -9.163 -5.264 13.131 723 1HB SER 94 HB2 SER 94 -11.357 -5.659 11.942 724 2HB SER 94 HB1 SER 94 -11.399 -3.949 11.525 725 HG SER 94 HG SER 94 -10.101 -5.985 10.314 726 H GLU 95 HN GLU 95 -8.074 -3.818 11.236 727 HA GLU 95 HA GLU 95 -7.999 -1.084 12.185 728 1HB GLU 95 HB2 GLU 95 -5.536 -1.059 12.151 729 2HB GLU 95 HB1 GLU 95 -6.163 -2.169 13.357 730 1HG GLU 95 HG2 GLU 95 -5.681 -4.048 11.898 731 2HG GLU 95 HG1 GLU 95 -5.132 -2.935 10.646 732 HA PRO 96 HA PRO 96 -7.836 -0.302 7.832 733 1HB PRO 96 HB2 PRO 96 -6.235 2.102 8.312 734 2HB PRO 96 HB1 PRO 96 -7.885 1.979 7.701 735 1HG PRO 96 HG2 PRO 96 -7.283 2.941 10.134 736 2HG PRO 96 HG1 PRO 96 -8.808 2.095 9.784 737 1HD PRO 96 HD2 PRO 96 -6.346 1.102 11.168 738 2HD PRO 96 HD1 PRO 96 -8.050 0.746 11.517 739 H ILE 97 HN ILE 97 -6.564 -1.274 6.589 740 HA ILE 97 HA ILE 97 -3.920 -2.072 7.280 741 HB ILE 97 HB ILE 97 -5.333 -2.247 4.599 742 1HG1 ILE 97 2HG1 ILE 97 -5.205 -4.338 6.786 743 2HG1 ILE 97 1HG1 ILE 97 -6.549 -3.224 6.591 744 1HG2 ILE 97 3HG2 ILE 97 -3.023 -3.837 5.737 745 2HG2 ILE 97 2HG2 ILE 97 -3.820 -4.142 4.194 746 3HG2 ILE 97 1HG2 ILE 97 -2.924 -2.642 4.441 747 1HD1 ILE 97 1HD1 ILE 97 -5.649 -5.213 4.514 748 2HD1 ILE 97 3HD1 ILE 97 -7.015 -5.386 5.634 749 3HD1 ILE 97 2HD1 ILE 97 -7.046 -4.103 4.445 750 H GLN 98 HN GLN 98 -5.315 0.413 5.328 751 HA GLN 98 HA GLN 98 -2.974 2.019 5.256 752 1HB GLN 98 HB2 GLN 98 -2.584 2.038 2.910 753 2HB GLN 98 HB1 GLN 98 -2.879 0.332 3.185 754 1HG GLN 98 HG2 GLN 98 -4.869 2.338 2.103 755 2HG GLN 98 HG1 GLN 98 -3.998 1.125 1.177 756 1HE2 GLN 98 1HE2 GLN 98 -4.344 -0.978 3.057 757 2HE2 GLN 98 2HE2 GLN 98 -6.027 -1.415 2.992 758 H SER 99 HN SER 99 -3.906 4.036 3.763 759 HA SER 99 HA SER 99 -6.756 3.939 3.734 760 1HB SER 99 HB2 SER 99 -6.091 4.994 5.923 761 2HB SER 99 HB1 SER 99 -5.264 6.256 5.012 762 HG SER 99 HG SER 99 -7.980 5.573 4.903 763 H PHE 100 HN PHE 100 -7.531 5.000 1.911 764 HA PHE 100 HA PHE 100 -5.465 6.170 0.218 765 1HB PHE 100 HB2 PHE 100 -8.183 5.067 -0.551 766 2HB PHE 100 HB1 PHE 100 -7.067 5.842 -1.662 767 HD1 PHE 100 HD1 PHE 100 -4.816 4.777 -2.038 768 HD2 PHE 100 HD2 PHE 100 -8.020 2.781 -0.086 769 HE1 PHE 100 HE1 PHE 100 -3.754 2.609 -2.519 770 HE2 PHE 100 HE2 PHE 100 -6.953 0.609 -0.551 771 HZ PHE 100 HZ PHE 100 -4.826 0.524 -1.774 772 H PHE 101 HN PHE 101 -8.983 6.733 0.263 773 HA PHE 101 HA PHE 101 -8.535 9.521 0.829 774 1HB PHE 101 HB2 PHE 101 -9.764 10.268 -1.216 775 2HB PHE 101 HB1 PHE 101 -8.222 9.494 -1.560 776 HD1 PHE 101 HD1 PHE 101 -11.811 9.360 -2.027 777 HD2 PHE 101 HD2 PHE 101 -8.175 7.237 -2.544 778 HE1 PHE 101 HE1 PHE 101 -12.914 7.850 -3.624 779 HE2 PHE 101 HE2 PHE 101 -9.275 5.717 -4.132 780 HZ PHE 101 HZ PHE 101 -11.647 6.031 -4.677 781 H GLN 102 HN GLN 102 -11.019 10.600 0.385 782 HA GLN 102 HA GLN 102 -12.783 8.930 1.975 783 1HB GLN 102 HB2 GLN 102 -11.614 10.743 3.212 784 2HB GLN 102 HB1 GLN 102 -12.283 11.901 2.074 785 1HG GLN 102 HG2 GLN 102 -14.473 10.923 2.664 786 2HG GLN 102 HG1 GLN 102 -13.652 10.203 4.050 787 1HE2 GLN 102 1HE2 GLN 102 -12.703 11.611 5.595 788 2HE2 GLN 102 2HE2 GLN 102 -13.253 13.238 5.758 789 H ILE 103 HN ILE 103 -14.880 8.950 1.203 790 HA ILE 103 HA ILE 103 -15.660 10.920 -0.816 791 HB ILE 103 HB ILE 103 -16.954 9.247 -2.057 792 1HG1 ILE 103 2HG1 ILE 103 -15.913 7.240 -0.034 793 2HG1 ILE 103 1HG1 ILE 103 -17.558 7.837 -0.124 794 1HG2 ILE 103 3HG2 ILE 103 -14.135 8.358 -1.608 795 2HG2 ILE 103 2HG2 ILE 103 -15.179 7.853 -2.938 796 3HG2 ILE 103 1HG2 ILE 103 -14.719 9.543 -2.775 797 1HD1 ILE 103 1HD1 ILE 103 -17.803 6.893 -2.335 798 2HD1 ILE 103 3HD1 ILE 103 -16.164 6.246 -2.252 799 3HD1 ILE 103 2HD1 ILE 103 -17.414 5.663 -1.135 800 H ASP 104 HN ASP 104 -17.950 11.249 -0.901 801 HA ASP 104 HA ASP 104 -19.074 11.469 1.735 802 1HB ASP 104 HB2 ASP 104 -19.309 13.038 -0.520 803 2HB ASP 104 HB1 ASP 104 -20.559 11.851 -0.670 804 H LEU 105 HN LEU 105 -20.143 9.754 2.582 805 HA LEU 105 HA LEU 105 -21.016 7.653 0.939 806 1HB LEU 105 HB2 LEU 105 -21.637 8.196 3.806 807 2HB LEU 105 HB1 LEU 105 -22.279 6.835 2.934 808 HG LEU 105 HG LEU 105 -19.571 7.311 3.994 809 1HD1 LEU 105 2HD1 LEU 105 -21.463 5.010 3.683 810 2HD1 LEU 105 1HD1 LEU 105 -19.890 4.886 4.499 811 3HD1 LEU 105 3HD1 LEU 105 -21.160 5.939 5.149 812 1HD2 LEU 105 1HD2 LEU 105 -19.151 6.999 1.571 813 2HD2 LEU 105 3HD2 LEU 105 -18.589 5.617 2.508 814 3HD2 LEU 105 2HD2 LEU 105 -20.102 5.513 1.614 815 H GLU 106 HN GLU 106 -22.633 10.402 2.287 816 HA GLU 106 HA GLU 106 -25.161 9.415 1.604 817 1HB GLU 106 HB2 GLU 106 -25.882 11.821 2.023 818 2HB GLU 106 HB1 GLU 106 -25.102 10.921 3.325 819 1HG GLU 106 HG2 GLU 106 -23.091 12.067 3.061 820 2HG GLU 106 HG1 GLU 106 -23.630 12.849 1.583 821 H ARG 107 HN ARG 107 -22.656 10.804 -0.266 822 HA ARG 107 HA ARG 107 -24.504 11.600 -2.335 823 1HB ARG 107 HB2 ARG 107 -22.797 12.706 -3.322 824 2HB ARG 107 HB1 ARG 107 -22.137 12.591 -1.697 825 1HG ARG 107 HG2 ARG 107 -20.794 10.674 -2.367 826 2HG ARG 107 HG1 ARG 107 -21.509 10.782 -3.979 827 1HD ARG 107 HD2 ARG 107 -19.644 12.782 -2.662 828 2HD ARG 107 HD1 ARG 107 -19.389 11.832 -4.107 829 HE ARG 107 HE ARG 107 -21.627 13.616 -4.148 830 1HH1 ARG 107 1HH1 ARG 107 -18.229 13.244 -4.942 831 2HH1 ARG 107 2HH1 ARG 107 -18.272 14.286 -6.297 832 1HH2 ARG 107 1HH2 ARG 107 -21.739 14.997 -5.999 833 2HH2 ARG 107 2HH2 ARG 107 -20.342 15.326 -6.913 834 H LEU 108 HN LEU 108 -22.814 8.804 -1.367 835 HA LEU 108 HA LEU 108 -22.781 7.375 -3.767 836 1HB LEU 108 HB2 LEU 108 -23.035 6.553 -0.955 837 2HB LEU 108 HB1 LEU 108 -23.473 5.328 -2.123 838 HG LEU 108 HG LEU 108 -21.219 6.248 -3.067 839 1HD1 LEU 108 3HD1 LEU 108 -20.702 7.664 -1.245 840 2HD1 LEU 108 2HD1 LEU 108 -20.747 6.231 -0.182 841 3HD1 LEU 108 1HD1 LEU 108 -19.516 6.354 -1.412 842 1HD2 LEU 108 2HD2 LEU 108 -21.640 3.891 -1.325 843 2HD2 LEU 108 1HD2 LEU 108 -21.559 4.000 -3.069 844 3HD2 LEU 108 3HD2 LEU 108 -20.089 4.208 -2.122 845 H GLU 109 HN GLU 109 -24.178 5.586 -4.403 846 HA GLU 109 HA GLU 109 -26.746 6.526 -5.070 847 1HB GLU 109 HB2 GLU 109 -25.803 3.695 -4.976 848 2HB GLU 109 HB1 GLU 109 -27.136 4.304 -5.955 849 1HG GLU 109 HG2 GLU 109 -25.537 5.474 -7.332 850 2HG GLU 109 HG1 GLU 109 -24.216 4.955 -6.271 851 H SER 110 HN SER 110 -26.320 3.403 -3.405 852 HA SER 110 HA SER 110 -27.792 4.239 -1.117 853 1HB SER 110 HB2 SER 110 -29.031 2.276 -3.060 854 2HB SER 110 HB1 SER 110 -29.603 2.536 -1.417 855 HG SER 110 HG SER 110 -29.295 4.866 -2.756 856 H HIS 111 HN HIS 111 -27.535 0.912 -2.484 857 HA HIS 111 HA HIS 111 -26.718 0.040 0.120 858 1HB HIS 111 HB2 HIS 111 -26.945 -2.230 -0.633 859 2HB HIS 111 HB1 HIS 111 -28.267 -1.321 -1.333 860 HD1 HIS 111 HD1 HIS 111 -25.844 -3.809 -2.211 861 HD2 HIS 111 HD2 HIS 111 -27.596 -0.600 -4.178 862 HE1 HIS 111 HE1 HIS 111 -25.444 -4.196 -4.658 863 H MET 112 HN MET 112 -25.061 0.967 -2.610 864 HA MET 112 HA MET 112 -22.691 -0.420 -2.602 865 1HB MET 112 HB2 MET 112 -23.399 2.401 -3.217 866 2HB MET 112 HB1 MET 112 -21.707 1.948 -3.165 867 1HG MET 112 HG2 MET 112 -23.716 0.490 -4.845 868 2HG MET 112 HG1 MET 112 -22.834 1.903 -5.428 869 1HE MET 112 HE2 MET 112 -20.303 2.048 -5.637 870 2HE MET 112 HE1 MET 112 -19.980 1.502 -4.011 871 3HE MET 112 HE3 MET 112 -19.151 0.730 -5.367 872 H GLN 113 HN GLN 113 -23.350 2.495 -0.659 873 HA GLN 113 HA GLN 113 -20.849 2.226 0.633 874 1HB GLN 113 HB2 GLN 113 -21.771 4.050 2.166 875 2HB GLN 113 HB1 GLN 113 -21.426 4.478 0.495 876 1HG GLN 113 HG2 GLN 113 -23.488 5.204 0.333 877 2HG GLN 113 HG1 GLN 113 -23.961 3.562 0.506 878 1HE2 GLN 113 1HE2 GLN 113 -23.864 6.598 1.837 879 2HE2 GLN 113 2HE2 GLN 113 -24.676 6.329 3.337 880 H LYS 114 HN LYS 114 -24.121 1.438 1.437 881 HA LYS 114 HA LYS 114 -23.777 0.531 4.046 882 1HB LYS 114 HB2 LYS 114 -25.432 -0.711 1.845 883 2HB LYS 114 HB1 LYS 114 -25.663 -1.011 3.557 884 1HG LYS 114 HG2 LYS 114 -25.933 1.659 2.217 885 2HG LYS 114 HG1 LYS 114 -27.282 0.602 2.599 886 1HD LYS 114 HD2 LYS 114 -26.705 0.782 4.995 887 2HD LYS 114 HD1 LYS 114 -25.342 1.820 4.580 888 1HE LYS 114 HE2 LYS 114 -26.974 3.390 3.525 889 2HE LYS 114 HE1 LYS 114 -28.265 2.399 4.200 890 1HZ LYS 114 HZ3 LYS 114 -26.159 3.783 5.762 891 2HZ LYS 114 HZ2 LYS 114 -27.717 4.328 5.566 892 3HZ LYS 114 HZ1 LYS 114 -27.434 2.901 6.435 893 H ASN 115 HN ASN 115 -22.911 -1.058 1.008 894 HA ASN 115 HA ASN 115 -22.107 -3.520 2.148 895 1HB ASN 115 HB2 ASN 115 -21.371 -2.193 -0.461 896 2HB ASN 115 HB1 ASN 115 -20.686 -3.737 0.021 897 1HD2 ASN 115 1HD2 ASN 115 -22.244 -3.226 -2.273 898 2HD2 ASN 115 2HD2 ASN 115 -23.667 -4.188 -2.161 899 H LEU 116 HN LEU 116 -20.542 -0.516 1.545 900 HA LEU 116 HA LEU 116 -17.899 -1.338 2.206 901 1HB LEU 116 HB2 LEU 116 -19.111 1.414 2.332 902 2HB LEU 116 HB1 LEU 116 -17.405 1.014 2.255 903 HG LEU 116 HG LEU 116 -19.402 0.488 0.052 904 1HD1 LEU 116 1HD1 LEU 116 -19.036 2.878 0.410 905 2HD1 LEU 116 3HD1 LEU 116 -17.296 2.623 0.244 906 3HD1 LEU 116 2HD1 LEU 116 -18.380 2.312 -1.117 907 1HD2 LEU 116 3HD2 LEU 116 -17.539 -1.078 0.052 908 2HD2 LEU 116 2HD2 LEU 116 -17.429 0.032 -1.313 909 3HD2 LEU 116 1HD2 LEU 116 -16.393 0.264 0.100 910 H LEU 117 HN LEU 117 -20.670 -0.276 4.034 911 HA LEU 117 HA LEU 117 -19.381 0.364 6.455 912 1HB LEU 117 HB2 LEU 117 -22.178 -0.690 6.089 913 2HB LEU 117 HB1 LEU 117 -21.557 0.097 7.520 914 HG LEU 117 HG LEU 117 -22.089 1.334 4.835 915 1HD1 LEU 117 1HD1 LEU 117 -24.054 0.977 6.202 916 2HD1 LEU 117 3HD1 LEU 117 -23.288 1.820 7.548 917 3HD1 LEU 117 2HD1 LEU 117 -23.682 2.694 6.068 918 1HD2 LEU 117 3HD2 LEU 117 -20.837 2.580 7.270 919 2HD2 LEU 117 2HD2 LEU 117 -20.091 2.278 5.684 920 3HD2 LEU 117 1HD2 LEU 117 -21.419 3.433 5.830 921 H LYS 118 HN LYS 118 -20.941 -2.640 5.351 922 HA LYS 118 HA LYS 118 -19.932 -3.899 7.773 923 1HB LYS 118 HB2 LYS 118 -21.132 -5.866 7.338 924 2HB LYS 118 HB1 LYS 118 -22.193 -4.567 6.860 925 1HG LYS 118 HG2 LYS 118 -20.481 -5.993 4.889 926 2HG LYS 118 HG1 LYS 118 -22.017 -6.667 5.439 927 1HD LYS 118 HD2 LYS 118 -21.741 -3.931 4.197 928 2HD LYS 118 HD1 LYS 118 -21.993 -5.381 3.229 929 1HE LYS 118 HE2 LYS 118 -24.128 -4.351 3.512 930 2HE LYS 118 HE1 LYS 118 -24.107 -5.773 4.539 931 1HZ LYS 118 HZ2 LYS 118 -23.710 -2.961 5.472 932 2HZ LYS 118 HZ1 LYS 118 -25.105 -3.851 5.618 933 3HZ LYS 118 HZ3 LYS 118 -23.753 -4.307 6.471 934 H GLY 119 HN GLY 119 -18.904 -3.497 4.540 935 1HA GLY 119 HA1 GLY 119 -16.619 -5.129 5.234 936 2HA GLY 119 HA2 GLY 119 -16.669 -3.837 4.032 937 H ILE 120 HN ILE 120 -16.360 -4.711 2.193 938 HA ILE 120 HA ILE 120 -18.218 -6.412 0.957 939 HB ILE 120 HB ILE 120 -15.332 -6.036 0.087 940 1HG1 ILE 120 2HG1 ILE 120 -16.209 -3.823 0.457 941 2HG1 ILE 120 1HG1 ILE 120 -16.207 -4.111 -1.281 942 1HG2 ILE 120 1HG2 ILE 120 -16.563 -7.757 -1.138 943 2HG2 ILE 120 3HG2 ILE 120 -17.847 -6.601 -1.489 944 3HG2 ILE 120 2HG2 ILE 120 -16.239 -6.367 -2.172 945 1HD1 ILE 120 3HD1 ILE 120 -18.640 -4.679 -1.071 946 2HD1 ILE 120 2HD1 ILE 120 -18.516 -4.151 0.615 947 3HD1 ILE 120 1HD1 ILE 120 -18.235 -2.993 -0.677 948 HA PRO 121 HA PRO 121 -16.934 -10.116 2.994 949 1HB PRO 121 HB2 PRO 121 -18.354 -11.927 1.555 950 2HB PRO 121 HB1 PRO 121 -19.075 -10.859 2.764 951 1HG PRO 121 HG2 PRO 121 -18.991 -10.553 -0.215 952 2HG PRO 121 HG1 PRO 121 -20.346 -10.282 0.894 953 1HD PRO 121 HD2 PRO 121 -18.864 -8.261 -0.091 954 2HD PRO 121 HD1 PRO 121 -19.559 -8.208 1.545 955 H PHE 122 HN PHE 122 -16.137 -9.490 -0.198 956 HA PHE 122 HA PHE 122 -13.831 -11.118 -0.234 957 1HB PHE 122 HB2 PHE 122 -15.606 -12.916 -0.423 958 2HB PHE 122 HB1 PHE 122 -16.057 -12.221 -1.973 959 HD1 PHE 122 HD1 PHE 122 -13.214 -13.715 -0.130 960 HD2 PHE 122 HD2 PHE 122 -14.980 -12.912 -3.903 961 HE1 PHE 122 HE1 PHE 122 -11.524 -15.130 -1.212 962 HE2 PHE 122 HE2 PHE 122 -13.293 -14.321 -4.998 963 HZ PHE 122 HZ PHE 122 -11.564 -15.430 -3.655 964 H ARG 123 HN ARG 123 -12.526 -10.691 -2.113 965 HA ARG 123 HA ARG 123 -13.672 -9.147 -4.289 966 1HB ARG 123 HB2 ARG 123 -11.429 -8.145 -2.518 967 2HB ARG 123 HB1 ARG 123 -11.667 -7.577 -4.148 968 1HG ARG 123 HG2 ARG 123 -13.752 -7.314 -1.992 969 2HG ARG 123 HG1 ARG 123 -12.525 -6.092 -2.318 970 1HD ARG 123 HD2 ARG 123 -14.495 -5.401 -3.457 971 2HD ARG 123 HD1 ARG 123 -13.396 -6.011 -4.683 972 HE ARG 123 HE ARG 123 -15.151 -8.030 -3.772 973 1HH1 ARG 123 1HH1 ARG 123 -15.060 -5.169 -5.924 974 2HH1 ARG 123 2HH1 ARG 123 -16.386 -5.667 -6.845 975 1HH2 ARG 123 1HH2 ARG 123 -16.984 -8.682 -5.110 976 2HH2 ARG 123 2HH2 ARG 123 -17.505 -7.700 -6.370 977 H THR 124 HN THR 124 -11.987 -8.802 -5.958 978 HA THR 124 HA THR 124 -9.789 -10.687 -5.957 979 HB THR 124 HB THR 124 -11.605 -10.253 -8.362 980 HG1 THR 124 HG1 THR 124 -12.980 -11.352 -7.247 981 1HG2 THR 124 3HG2 THR 124 -9.631 -12.436 -7.690 982 2HG2 THR 124 2HG2 THR 124 -10.595 -12.321 -9.163 983 3HG2 THR 124 1HG2 THR 124 -9.368 -11.105 -8.817 984 H LYS 125 HN LYS 125 -8.366 -9.857 -8.060 985 HA LYS 125 HA LYS 125 -7.624 -7.289 -7.275 986 1HB LYS 125 HB2 LYS 125 -6.013 -7.360 -9.133 987 2HB LYS 125 HB1 LYS 125 -5.959 -8.780 -8.103 988 1HG LYS 125 HG2 LYS 125 -7.260 -10.026 -9.794 989 2HG LYS 125 HG1 LYS 125 -7.253 -8.592 -10.816 990 1HD LYS 125 HD2 LYS 125 -4.793 -10.027 -9.855 991 2HD LYS 125 HD1 LYS 125 -5.527 -10.253 -11.440 992 1HE LYS 125 HE2 LYS 125 -5.178 -7.869 -11.917 993 2HE LYS 125 HE1 LYS 125 -4.401 -7.675 -10.346 994 1HZ LYS 125 HZ1 LYS 125 -2.718 -9.275 -11.061 995 2HZ LYS 125 HZ3 LYS 125 -3.445 -9.354 -12.588 996 3HZ LYS 125 HZ2 LYS 125 -2.772 -7.913 -12.056 997 H ALA 126 HN ALA 126 -9.446 -8.282 -10.166 998 HA ALA 126 HA ALA 126 -9.312 -5.616 -11.221 999 1HB ALA 126 HB1 ALA 126 -10.911 -8.010 -12.063 1000 2HB ALA 126 HB3 ALA 126 -10.654 -6.544 -13.026 1001 3HB ALA 126 HB2 ALA 126 -9.293 -7.616 -12.626 1002 H GLU 127 HN GLU 127 -11.244 -7.412 -9.138 1003 HA GLU 127 HA GLU 127 -13.605 -5.816 -9.523 1004 1HB GLU 127 HB2 GLU 127 -13.047 -7.753 -7.303 1005 2HB GLU 127 HB1 GLU 127 -14.612 -7.187 -7.866 1006 1HG GLU 127 HG2 GLU 127 -13.928 -8.268 -10.116 1007 2HG GLU 127 HG1 GLU 127 -12.708 -9.041 -9.186 1008 H PHE 128 HN PHE 128 -10.780 -5.849 -7.532 1009 HA PHE 128 HA PHE 128 -11.685 -4.106 -5.494 1010 1HB PHE 128 HB2 PHE 128 -9.643 -5.398 -5.157 1011 2HB PHE 128 HB1 PHE 128 -8.921 -4.709 -6.607 1012 HD1 PHE 128 HD1 PHE 128 -9.762 -4.134 -3.123 1013 HD2 PHE 128 HD2 PHE 128 -8.094 -2.474 -6.634 1014 HE1 PHE 128 HE1 PHE 128 -8.842 -2.276 -1.786 1015 HE2 PHE 128 HE2 PHE 128 -7.150 -0.606 -5.327 1016 HZ PHE 128 HZ PHE 128 -7.533 -0.509 -2.888 1017 H GLU 129 HN GLU 129 -9.841 -3.583 -8.481 1018 HA GLU 129 HA GLU 129 -10.065 -0.815 -8.172 1019 1HB GLU 129 HB2 GLU 129 -9.279 -0.753 -10.599 1020 2HB GLU 129 HB1 GLU 129 -8.214 -1.440 -9.380 1021 1HG GLU 129 HG2 GLU 129 -8.746 -3.643 -10.077 1022 2HG GLU 129 HG1 GLU 129 -9.950 -3.048 -11.214 1023 H ASP 130 HN ASP 130 -12.188 -3.122 -9.423 1024 HA ASP 130 HA ASP 130 -13.849 -1.434 -11.030 1025 1HB ASP 130 HB2 ASP 130 -13.964 -3.922 -11.038 1026 2HB ASP 130 HB1 ASP 130 -14.641 -3.865 -9.427 1027 H VAL 131 HN VAL 131 -13.937 -2.395 -7.686 1028 HA VAL 131 HA VAL 131 -16.155 -0.660 -7.137 1029 HB VAL 131 HB VAL 131 -15.925 -2.696 -5.749 1030 1HG1 VAL 131 2HG1 VAL 131 -13.548 -2.890 -5.766 1031 2HG1 VAL 131 1HG1 VAL 131 -13.411 -1.515 -4.678 1032 3HG1 VAL 131 3HG1 VAL 131 -14.199 -2.996 -4.126 1033 1HG2 VAL 131 2HG2 VAL 131 -15.507 -0.226 -4.115 1034 2HG2 VAL 131 1HG2 VAL 131 -17.067 -0.826 -4.711 1035 3HG2 VAL 131 3HG2 VAL 131 -16.142 -1.764 -3.524 1036 H ILE 132 HN ILE 132 -12.674 -0.437 -6.781 1037 HA ILE 132 HA ILE 132 -12.712 2.007 -5.400 1038 HB ILE 132 HB ILE 132 -10.643 0.294 -6.553 1039 1HG1 ILE 132 2HG1 ILE 132 -9.444 0.910 -4.499 1040 2HG1 ILE 132 1HG1 ILE 132 -10.653 2.140 -4.164 1041 1HG2 ILE 132 1HG2 ILE 132 -10.141 2.254 -7.873 1042 2HG2 ILE 132 3HG2 ILE 132 -10.029 3.239 -6.416 1043 3HG2 ILE 132 2HG2 ILE 132 -8.855 1.945 -6.699 1044 1HD1 ILE 132 2HD1 ILE 132 -12.346 0.398 -3.940 1045 2HD1 ILE 132 1HD1 ILE 132 -11.125 -0.829 -4.273 1046 3HD1 ILE 132 3HD1 ILE 132 -11.006 0.157 -2.812 1047 H GLU 133 HN GLU 133 -12.690 1.335 -8.860 1048 HA GLU 133 HA GLU 133 -12.304 4.004 -9.610 1049 1HB GLU 133 HB2 GLU 133 -13.148 3.397 -11.801 1050 2HB GLU 133 HB1 GLU 133 -12.071 2.157 -11.207 1051 1HG GLU 133 HG2 GLU 133 -13.905 0.755 -10.617 1052 2HG GLU 133 HG1 GLU 133 -15.047 2.018 -11.081 1053 H HIS 134 HN HIS 134 -15.033 2.302 -8.415 1054 HA HIS 134 HA HIS 134 -16.931 4.310 -9.183 1055 1HB HIS 134 HB2 HIS 134 -17.306 1.756 -8.619 1056 2HB HIS 134 HB1 HIS 134 -17.427 2.348 -6.969 1057 HD1 HIS 134 HD1 HIS 134 -19.530 1.549 -9.706 1058 HD2 HIS 134 HD2 HIS 134 -19.437 4.647 -6.941 1059 HE1 HIS 134 HE1 HIS 134 -21.840 2.573 -9.708 1060 H MET 135 HN MET 135 -15.015 3.483 -6.366 1061 HA MET 135 HA MET 135 -16.049 5.390 -4.549 1062 1HB MET 135 HB2 MET 135 -13.204 4.378 -4.720 1063 2HB MET 135 HB1 MET 135 -13.946 5.152 -3.336 1064 1HG MET 135 HG2 MET 135 -14.696 2.449 -4.451 1065 2HG MET 135 HG1 MET 135 -13.656 2.718 -3.067 1066 1HE MET 135 HE1 MET 135 -17.230 2.218 -4.366 1067 2HE MET 135 HE3 MET 135 -18.256 3.002 -3.174 1068 3HE MET 135 HE2 MET 135 -17.313 3.975 -4.297 1069 H LYS 136 HN LYS 136 -13.344 5.564 -6.820 1070 HA LYS 136 HA LYS 136 -12.810 8.275 -6.179 1071 1HB LYS 136 HB2 LYS 136 -11.301 8.320 -8.134 1072 2HB LYS 136 HB1 LYS 136 -10.992 6.986 -7.032 1073 1HG LYS 136 HG2 LYS 136 -12.116 5.480 -8.480 1074 2HG LYS 136 HG1 LYS 136 -12.521 6.778 -9.609 1075 1HD LYS 136 HD2 LYS 136 -10.572 5.484 -10.386 1076 2HD LYS 136 HD1 LYS 136 -10.146 7.155 -10.035 1077 1HE LYS 136 HE2 LYS 136 -9.187 6.535 -7.931 1078 2HE LYS 136 HE1 LYS 136 -9.736 4.873 -8.109 1079 1HZ LYS 136 HZ2 LYS 136 -7.762 6.249 -9.863 1080 2HZ LYS 136 HZ1 LYS 136 -7.385 5.143 -8.650 1081 3HZ LYS 136 HZ3 LYS 136 -8.259 4.645 -10.001 1082 H THR 137 HN THR 137 -15.130 6.787 -8.191 1083 HA THR 137 HA THR 137 -15.527 8.895 -9.968 1084 HB THR 137 HB THR 137 -16.644 6.369 -9.639 1085 HG1 THR 137 HG1 THR 137 -16.612 8.223 -11.456 1086 1HG2 THR 137 2HG2 THR 137 -18.851 8.389 -9.111 1087 2HG2 THR 137 1HG2 THR 137 -19.103 6.680 -9.513 1088 3HG2 THR 137 3HG2 THR 137 -18.271 7.118 -8.025 1089 H TYR 138 HN TYR 138 -16.328 8.447 -6.591 1090 HA TYR 138 HA TYR 138 -17.943 10.859 -6.508 1091 1HB TYR 138 HB2 TYR 138 -16.962 9.013 -4.320 1092 2HB TYR 138 HB1 TYR 138 -18.108 10.316 -4.100 1093 HD1 TYR 138 HD1 TYR 138 -17.699 6.859 -4.635 1094 HD2 TYR 138 HD2 TYR 138 -20.294 10.098 -5.530 1095 HE1 TYR 138 HE1 TYR 138 -19.516 5.286 -4.982 1096 HE2 TYR 138 HE2 TYR 138 -22.146 8.523 -5.892 1097 HH TYR 138 HH TYR 138 -22.417 6.136 -6.470 1098 H SER 139 HN SER 139 -15.149 9.472 -4.862 1099 HA SER 139 HA SER 139 -13.261 10.231 -3.934 1100 1HB SER 139 HB2 SER 139 -12.831 10.542 -6.407 1101 2HB SER 139 HB1 SER 139 -13.302 12.226 -6.157 1102 HG SER 139 HG SER 139 -11.583 12.462 -4.744 1103 H GLY 140 HN GLY 140 -15.872 11.666 -3.089 1104 1HA GLY 140 HA1 GLY 140 -15.115 14.280 -2.496 1105 2HA GLY 140 HA2 GLY 140 -14.990 13.155 -1.126 No H/Q in entry = 1105 Start of MODEL 22 1 H1 ALA 1 HT3 ALA 1 39.067 7.224 -12.285 2 H2 ALA 1 HT2 ALA 1 38.367 6.020 -13.230 3 H3 ALA 1 HT1 ALA 1 38.863 7.455 -13.939 4 HA ALA 1 HA ALA 1 37.240 8.704 -12.717 5 1HB ALA 1 HB1 ALA 1 35.970 6.359 -14.138 6 2HB ALA 1 HB3 ALA 1 35.262 7.954 -13.890 7 3HB ALA 1 HB2 ALA 1 36.669 7.761 -14.934 8 H GLU 2 HN GLU 2 37.081 5.198 -11.987 9 HA GLU 2 HA GLU 2 35.596 5.874 -9.563 10 1HB GLU 2 HB2 GLU 2 35.206 3.512 -11.403 11 2HB GLU 2 HB1 GLU 2 34.449 3.691 -9.829 12 1HG GLU 2 HG2 GLU 2 33.205 5.595 -10.588 13 2HG GLU 2 HG1 GLU 2 34.075 5.592 -12.123 14 H VAL 3 HN VAL 3 36.116 4.637 -7.794 15 HA VAL 3 HA VAL 3 38.433 2.874 -8.071 16 HB VAL 3 HB VAL 3 38.932 3.362 -5.674 17 1HG1 VAL 3 2HG1 VAL 3 40.113 4.624 -7.383 18 2HG1 VAL 3 1HG1 VAL 3 38.829 5.829 -7.395 19 3HG1 VAL 3 3HG1 VAL 3 39.829 5.625 -5.958 20 1HG2 VAL 3 1HG2 VAL 3 36.690 3.996 -4.934 21 2HG2 VAL 3 3HG2 VAL 3 37.855 5.261 -4.543 22 3HG2 VAL 3 2HG2 VAL 3 36.768 5.457 -5.917 23 H GLU 4 HN GLU 4 38.400 1.262 -6.170 24 HA GLU 4 HA GLU 4 35.678 0.194 -5.959 25 1HB GLU 4 HB2 GLU 4 38.362 -1.168 -5.590 26 2HB GLU 4 HB1 GLU 4 36.796 -1.958 -5.491 27 1HG GLU 4 HG2 GLU 4 36.395 -1.522 -7.843 28 2HG GLU 4 HG1 GLU 4 37.912 -0.636 -7.955 29 H HIS 5 HN HIS 5 34.794 0.596 -3.994 30 HA HIS 5 HA HIS 5 36.503 1.676 -1.979 31 1HB HIS 5 HB2 HIS 5 33.587 1.072 -1.802 32 2HB HIS 5 HB1 HIS 5 34.495 1.861 -0.547 33 HD1 HIS 5 HD1 HIS 5 34.019 4.348 -0.560 34 HD2 HIS 5 HD2 HIS 5 34.123 2.743 -4.395 35 HE1 HIS 5 HE1 HIS 5 33.652 6.266 -2.135 36 H TYR 6 HN TYR 6 36.411 1.053 0.205 37 HA TYR 6 HA TYR 6 37.157 -1.760 0.338 38 1HB TYR 6 HB2 TYR 6 37.971 0.614 2.013 39 2HB TYR 6 HB1 TYR 6 38.658 -1.003 2.064 40 HD1 TYR 6 HD1 TYR 6 38.083 1.762 -0.412 41 HD2 TYR 6 HD2 TYR 6 40.624 -1.367 0.939 42 HE1 TYR 6 HE1 TYR 6 39.816 2.470 -2.041 43 HE2 TYR 6 HE2 TYR 6 42.324 -0.710 -0.694 44 HH TYR 6 HH TYR 6 42.152 2.263 -2.434 45 H GLU 7 HN GLU 7 35.592 0.881 2.038 46 HA GLU 7 HA GLU 7 34.552 -0.793 4.136 47 1HB GLU 7 HB2 GLU 7 34.155 2.121 3.446 48 2HB GLU 7 HB1 GLU 7 33.471 1.330 4.855 49 1HG GLU 7 HG2 GLU 7 36.389 1.499 4.268 50 2HG GLU 7 HG1 GLU 7 35.526 2.661 5.277 51 HA PRO 8 HA PRO 8 30.768 -1.112 1.732 52 1HB PRO 8 HB2 PRO 8 29.497 -2.586 3.772 53 2HB PRO 8 HB1 PRO 8 30.242 -3.245 2.313 54 1HG PRO 8 HG2 PRO 8 31.147 -3.650 4.933 55 2HG PRO 8 HG1 PRO 8 32.082 -3.942 3.464 56 1HD PRO 8 HD2 PRO 8 32.138 -1.656 5.338 57 2HD PRO 8 HD1 PRO 8 33.453 -2.375 4.372 58 H LEU 9 HN LEU 9 28.354 -0.868 2.427 59 HA LEU 9 HA LEU 9 28.099 1.136 4.559 60 1HB LEU 9 HB2 LEU 9 27.976 1.821 1.897 61 2HB LEU 9 HB1 LEU 9 26.392 1.196 2.133 62 HG LEU 9 HG LEU 9 26.418 3.650 2.313 63 1HD1 LEU 9 2HD1 LEU 9 25.632 2.276 4.872 64 2HD1 LEU 9 1HD1 LEU 9 25.118 3.885 4.361 65 3HD1 LEU 9 3HD1 LEU 9 24.631 2.469 3.434 66 1HD2 LEU 9 2HD2 LEU 9 28.601 3.941 3.290 67 2HD2 LEU 9 1HD2 LEU 9 27.368 4.720 4.284 68 3HD2 LEU 9 3HD2 LEU 9 28.057 3.176 4.786 69 H GLN 10 HN GLN 10 26.863 0.081 6.027 70 HA GLN 10 HA GLN 10 24.982 -1.922 5.294 71 1HB GLN 10 HB2 GLN 10 25.610 -0.517 7.856 72 2HB GLN 10 HB1 GLN 10 24.209 -1.569 7.730 73 1HG GLN 10 HG2 GLN 10 25.650 -3.394 7.115 74 2HG GLN 10 HG1 GLN 10 27.061 -2.348 7.215 75 1HE2 GLN 10 1HE2 GLN 10 27.990 -3.627 8.776 76 2HE2 GLN 10 2HE2 GLN 10 27.443 -3.647 10.414 77 H VAL 11 HN VAL 11 23.498 -1.238 4.023 78 HA VAL 11 HA VAL 11 22.068 1.239 4.552 79 HB VAL 11 HB VAL 11 21.456 -0.751 2.398 80 1HG1 VAL 11 1HG1 VAL 11 19.821 0.952 2.753 81 2HG1 VAL 11 3HG1 VAL 11 21.044 2.214 2.574 82 3HG1 VAL 11 2HG1 VAL 11 20.620 1.185 1.199 83 1HG2 VAL 11 2HG2 VAL 11 23.819 -0.285 2.178 84 2HG2 VAL 11 1HG2 VAL 11 22.915 0.445 0.866 85 3HG2 VAL 11 3HG2 VAL 11 23.497 1.459 2.185 86 H HIS 12 HN HIS 12 20.300 1.147 5.750 87 HA HIS 12 HA HIS 12 18.955 -1.415 6.101 88 1HB HIS 12 HB2 HIS 12 19.564 0.088 8.055 89 2HB HIS 12 HB1 HIS 12 18.374 1.234 7.461 90 HD1 HIS 12 HD1 HIS 12 18.627 -1.103 10.021 91 HD2 HIS 12 HD2 HIS 12 15.739 -0.415 7.116 92 HE1 HIS 12 HE1 HIS 12 16.494 -2.139 10.890 93 H VAL 13 HN VAL 13 17.751 -1.717 4.403 94 HA VAL 13 HA VAL 13 16.260 0.487 3.234 95 HB VAL 13 HB VAL 13 15.809 -1.000 1.363 96 1HG1 VAL 13 3HG1 VAL 13 17.810 0.354 1.326 97 2HG1 VAL 13 2HG1 VAL 13 18.703 -0.965 2.103 98 3HG1 VAL 13 1HG1 VAL 13 18.057 -1.180 0.481 99 1HG2 VAL 13 2HG2 VAL 13 15.792 -3.136 2.518 100 2HG2 VAL 13 1HG2 VAL 13 16.900 -3.162 1.141 101 3HG2 VAL 13 3HG2 VAL 13 17.539 -3.001 2.780 102 H GLN 14 HN GLN 14 14.320 0.732 3.451 103 HA GLN 14 HA GLN 14 12.723 -1.408 4.638 104 1HB GLN 14 HB2 GLN 14 12.728 0.868 5.770 105 2HB GLN 14 HB1 GLN 14 11.967 1.509 4.320 106 1HG GLN 14 HG2 GLN 14 10.056 0.068 4.639 107 2HG GLN 14 HG1 GLN 14 10.826 -0.679 6.036 108 1HE2 GLN 14 1HE2 GLN 14 9.122 2.058 4.846 109 2HE2 GLN 14 2HE2 GLN 14 8.878 2.804 6.386 110 H LEU 15 HN LEU 15 11.960 -2.591 3.081 111 HA LEU 15 HA LEU 15 11.439 -1.386 0.502 112 1HB LEU 15 HB2 LEU 15 11.597 -4.247 1.413 113 2HB LEU 15 HB1 LEU 15 11.436 -3.707 -0.256 114 HG LEU 15 HG LEU 15 13.791 -3.164 1.551 115 1HD1 LEU 15 1HD1 LEU 15 13.472 -5.144 -0.671 116 2HD1 LEU 15 3HD1 LEU 15 15.009 -4.654 0.015 117 3HD1 LEU 15 2HD1 LEU 15 13.847 -5.477 1.038 118 1HD2 LEU 15 2HD2 LEU 15 13.403 -2.574 -1.379 119 2HD2 LEU 15 1HD2 LEU 15 13.519 -1.391 -0.077 120 3HD2 LEU 15 3HD2 LEU 15 14.916 -2.383 -0.494 121 H GLU 16 HN GLU 16 9.417 -0.710 0.258 122 HA GLU 16 HA GLU 16 7.236 -1.993 1.728 123 1HB GLU 16 HB2 GLU 16 7.184 0.443 -0.073 124 2HB GLU 16 HB1 GLU 16 5.875 -0.125 0.940 125 1HG GLU 16 HG2 GLU 16 7.163 0.416 2.929 126 2HG GLU 16 HG1 GLU 16 8.506 0.967 1.925 127 H LYS 17 HN LYS 17 5.845 -3.280 0.650 128 HA LYS 17 HA LYS 17 6.132 -3.328 -2.278 129 1HB LYS 17 HB2 LYS 17 5.553 -5.700 -0.471 130 2HB LYS 17 HB1 LYS 17 5.713 -5.756 -2.226 131 1HG LYS 17 HG2 LYS 17 8.033 -5.001 -2.038 132 2HG LYS 17 HG1 LYS 17 7.857 -4.972 -0.285 133 1HD LYS 17 HD2 LYS 17 7.489 -7.395 -0.301 134 2HD LYS 17 HD1 LYS 17 7.689 -7.405 -2.058 135 1HE LYS 17 HE2 LYS 17 9.941 -6.479 -1.808 136 2HE LYS 17 HE1 LYS 17 9.754 -6.491 -0.057 137 1HZ LYS 17 HZ3 LYS 17 9.456 -8.962 -0.288 138 2HZ LYS 17 HZ2 LYS 17 9.910 -8.790 -1.898 139 3HZ LYS 17 HZ1 LYS 17 10.996 -8.375 -0.682 140 H VAL 18 HN VAL 18 4.338 -2.400 -3.110 141 HA VAL 18 HA VAL 18 2.124 -2.249 -1.265 142 HB VAL 18 HB VAL 18 2.161 -0.903 -3.950 143 1HG1 VAL 18 1HG1 VAL 18 0.058 -0.914 -2.853 144 2HG1 VAL 18 3HG1 VAL 18 0.768 -0.204 -1.402 145 3HG1 VAL 18 2HG1 VAL 18 0.717 0.720 -2.903 146 1HG2 VAL 18 1HG2 VAL 18 3.416 0.183 -1.414 147 2HG2 VAL 18 3HG2 VAL 18 4.259 -0.256 -2.906 148 3HG2 VAL 18 2HG2 VAL 18 3.139 1.096 -2.903 149 H TYR 19 HN TYR 19 1.210 -4.168 -1.319 150 HA TYR 19 HA TYR 19 0.192 -5.249 -3.749 151 1HB TYR 19 HB2 TYR 19 -0.438 -5.794 -0.842 152 2HB TYR 19 HB1 TYR 19 -1.153 -6.676 -2.179 153 HD1 TYR 19 HD1 TYR 19 2.117 -5.903 -0.565 154 HD2 TYR 19 HD2 TYR 19 -0.096 -8.520 -3.049 155 HE1 TYR 19 HE1 TYR 19 3.967 -7.512 -0.466 156 HE2 TYR 19 HE2 TYR 19 1.742 -10.167 -2.971 157 HH TYR 19 HH TYR 19 4.265 -9.905 -0.707 158 H LEU 20 HN LEU 20 -1.818 -4.951 -4.497 159 HA LEU 20 HA LEU 20 -2.862 -2.340 -4.189 160 1HB LEU 20 HB2 LEU 20 -4.206 -4.699 -5.435 161 2HB LEU 20 HB1 LEU 20 -4.545 -3.007 -5.721 162 HG LEU 20 HG LEU 20 -1.939 -4.325 -6.376 163 1HD1 LEU 20 2HD1 LEU 20 -4.364 -3.772 -8.038 164 2HD1 LEU 20 1HD1 LEU 20 -2.800 -4.375 -8.651 165 3HD1 LEU 20 3HD1 LEU 20 -3.730 -5.328 -7.486 166 1HD2 LEU 20 3HD2 LEU 20 -3.177 -1.697 -7.181 167 2HD2 LEU 20 2HD2 LEU 20 -1.842 -1.925 -6.048 168 3HD2 LEU 20 1HD2 LEU 20 -1.627 -2.333 -7.756 169 H ASP 21 HN ASP 21 -3.625 -5.281 -2.690 170 HA ASP 21 HA ASP 21 -6.279 -4.607 -1.936 171 1HB ASP 21 HB2 ASP 21 -6.173 -6.368 -0.275 172 2HB ASP 21 HB1 ASP 21 -5.679 -6.924 -1.862 173 H GLY 22 HN GLY 22 -3.237 -3.722 -0.634 174 1HA GLY 22 HA1 GLY 22 -4.713 -2.483 1.577 175 2HA GLY 22 HA2 GLY 22 -3.396 -1.695 0.724 176 H ASP 23 HN ASP 23 -2.987 -5.080 1.297 177 HA ASP 23 HA ASP 23 -1.558 -4.581 3.749 178 1HB ASP 23 HB2 ASP 23 -2.865 -6.702 3.364 179 2HB ASP 23 HB1 ASP 23 -1.705 -7.129 2.113 180 H VAL 24 HN VAL 24 0.260 -3.497 3.444 181 HA VAL 24 HA VAL 24 1.905 -4.005 1.101 182 HB VAL 24 HB VAL 24 2.413 -2.011 3.340 183 1HG1 VAL 24 2HG1 VAL 24 4.345 -2.452 2.030 184 2HG1 VAL 24 1HG1 VAL 24 3.465 -2.077 0.551 185 3HG1 VAL 24 3HG1 VAL 24 3.758 -0.814 1.745 186 1HG2 VAL 24 3HG2 VAL 24 0.214 -1.508 2.379 187 2HG2 VAL 24 2HG2 VAL 24 1.394 -0.276 1.932 188 3HG2 VAL 24 1HG2 VAL 24 0.919 -1.508 0.764 189 H SER 25 HN SER 25 3.695 -5.217 1.280 190 HA SER 25 HA SER 25 4.319 -6.223 3.927 191 1HB SER 25 HB2 SER 25 4.234 -7.825 2.002 192 2HB SER 25 HB1 SER 25 5.587 -6.953 1.273 193 HG SER 25 HG SER 25 5.609 -8.874 3.141 194 H ILE 26 HN ILE 26 5.423 -5.009 5.116 195 HA ILE 26 HA ILE 26 7.431 -3.253 3.996 196 HB ILE 26 HB ILE 26 6.538 -3.642 6.867 197 1HG1 ILE 26 2HG1 ILE 26 4.699 -2.798 5.553 198 2HG1 ILE 26 1HG1 ILE 26 5.316 -1.498 6.576 199 1HG2 ILE 26 1HG2 ILE 26 8.786 -2.688 6.714 200 2HG2 ILE 26 3HG2 ILE 26 8.190 -1.443 5.616 201 3HG2 ILE 26 2HG2 ILE 26 7.638 -1.476 7.289 202 1HD1 ILE 26 1HD1 ILE 26 6.506 -0.595 4.634 203 2HD1 ILE 26 3HD1 ILE 26 5.813 -1.891 3.649 204 3HD1 ILE 26 2HD1 ILE 26 4.756 -0.683 4.386 205 H GLU 27 HN GLU 27 9.317 -4.034 3.693 206 HA GLU 27 HA GLU 27 10.250 -6.291 5.304 207 1HB GLU 27 HB2 GLU 27 9.935 -7.043 3.114 208 2HB GLU 27 HB1 GLU 27 10.537 -5.557 2.416 209 1HG GLU 27 HG2 GLU 27 12.721 -6.141 2.742 210 2HG GLU 27 HG1 GLU 27 12.356 -7.361 3.939 211 H HIS 28 HN HIS 28 12.047 -6.063 6.408 212 HA HIS 28 HA HIS 28 13.554 -3.545 6.106 213 1HB HIS 28 HB2 HIS 28 13.284 -5.294 8.566 214 2HB HIS 28 HB1 HIS 28 14.266 -3.847 8.465 215 HD1 HIS 28 HD1 HIS 28 12.218 -3.849 10.663 216 HD2 HIS 28 HD2 HIS 28 11.363 -2.551 6.811 217 HE1 HIS 28 HE1 HIS 28 10.220 -2.338 10.870 218 H LYS 29 HN LYS 29 15.448 -3.829 5.184 219 HA LYS 29 HA LYS 29 16.928 -6.279 5.809 220 1HB LYS 29 HB2 LYS 29 16.803 -4.834 3.212 221 2HB LYS 29 HB1 LYS 29 17.992 -6.052 3.581 222 1HG LYS 29 HG2 LYS 29 15.703 -7.445 4.004 223 2HG LYS 29 HG1 LYS 29 15.167 -6.256 2.825 224 1HD LYS 29 HD2 LYS 29 17.653 -7.810 2.568 225 2HD LYS 29 HD1 LYS 29 16.126 -8.330 1.810 226 1HE LYS 29 HE2 LYS 29 16.097 -6.277 0.493 227 2HE LYS 29 HE1 LYS 29 17.537 -5.681 1.314 228 1HZ LYS 29 HZ3 LYS 29 17.412 -8.068 -0.452 229 2HZ LYS 29 HZ2 LYS 29 18.023 -6.535 -0.858 230 3HZ LYS 29 HZ1 LYS 29 18.786 -7.458 0.321 231 H HIS 30 HN HIS 30 19.096 -6.023 5.942 232 HA HIS 30 HA HIS 30 20.075 -3.336 5.513 233 1HB HIS 30 HB2 HIS 30 21.652 -3.438 7.351 234 2HB HIS 30 HB1 HIS 30 20.041 -3.693 7.981 235 HD1 HIS 30 HD1 HIS 30 22.990 -4.576 9.164 236 HD2 HIS 30 HD2 HIS 30 20.031 -7.006 7.552 237 HE1 HIS 30 HE1 HIS 30 23.403 -6.874 10.064 238 H GLU 31 HN GLU 31 21.372 -3.296 3.849 239 HA GLU 31 HA GLU 31 22.981 -5.699 3.469 240 1HB GLU 31 HB2 GLU 31 22.835 -5.365 1.033 241 2HB GLU 31 HB1 GLU 31 21.290 -5.744 1.794 242 1HG GLU 31 HG2 GLU 31 20.844 -3.253 1.680 243 2HG GLU 31 HG1 GLU 31 22.268 -3.203 0.638 244 H LYS 32 HN LYS 32 25.023 -5.518 2.957 245 HA LYS 32 HA LYS 32 26.100 -2.866 3.216 246 1HB LYS 32 HB2 LYS 32 27.370 -5.563 3.296 247 2HB LYS 32 HB1 LYS 32 28.277 -4.064 3.334 248 1HG LYS 32 HG2 LYS 32 26.975 -3.444 5.356 249 2HG LYS 32 HG1 LYS 32 26.330 -5.066 5.434 250 1HD LYS 32 HD2 LYS 32 29.186 -4.158 5.659 251 2HD LYS 32 HD1 LYS 32 28.208 -4.971 6.876 252 1HE LYS 32 HE2 LYS 32 29.164 -6.155 4.283 253 2HE LYS 32 HE1 LYS 32 29.896 -6.422 5.858 254 1HZ LYS 32 HZ1 LYS 32 27.747 -7.421 6.584 255 2HZ LYS 32 HZ3 LYS 32 27.173 -7.323 4.994 256 3HZ LYS 32 HZ2 LYS 32 28.502 -8.272 5.354 257 H VAL 33 HN VAL 33 26.645 -1.788 1.622 258 HA VAL 33 HA VAL 33 27.603 -3.141 -0.759 259 HB VAL 33 HB VAL 33 25.498 -2.584 -1.552 260 1HG1 VAL 33 1HG1 VAL 33 25.580 -0.064 0.060 261 2HG1 VAL 33 3HG1 VAL 33 24.289 -0.532 -1.050 262 3HG1 VAL 33 2HG1 VAL 33 24.616 -1.529 0.352 263 1HG2 VAL 33 2HG2 VAL 33 27.199 -1.558 -2.957 264 2HG2 VAL 33 1HG2 VAL 33 25.675 -0.675 -3.022 265 3HG2 VAL 33 3HG2 VAL 33 26.995 -0.070 -2.026 266 H PHE 34 HN PHE 34 29.372 -2.190 -1.814 267 HA PHE 34 HA PHE 34 30.843 -0.352 -0.182 268 1HB PHE 34 HB2 PHE 34 31.557 -1.516 -2.882 269 2HB PHE 34 HB1 PHE 34 32.628 -0.672 -1.789 270 HD1 PHE 34 HD1 PHE 34 32.620 -1.793 0.705 271 HD2 PHE 34 HD2 PHE 34 31.774 -3.773 -2.969 272 HE1 PHE 34 HE1 PHE 34 33.309 -3.924 1.695 273 HE2 PHE 34 HE2 PHE 34 32.437 -5.913 -1.968 274 HZ PHE 34 HZ PHE 34 33.209 -5.988 0.370 275 H SER 35 HN SER 35 29.050 -0.227 -3.236 276 HA SER 35 HA SER 35 29.739 2.605 -3.384 277 1HB SER 35 HB2 SER 35 30.836 1.427 -5.207 278 2HB SER 35 HB1 SER 35 29.318 0.638 -5.640 279 HG SER 35 HG SER 35 30.155 3.261 -6.051 280 H MET 36 HN MET 36 27.998 3.753 -2.936 281 HA MET 36 HA MET 36 25.397 2.796 -2.751 282 1HB MET 36 HB2 MET 36 26.494 5.574 -3.077 283 2HB MET 36 HB1 MET 36 24.765 5.285 -2.985 284 1HG MET 36 HG2 MET 36 26.188 3.904 -0.921 285 2HG MET 36 HG1 MET 36 26.492 5.649 -0.851 286 1HE MET 36 HE1 MET 36 23.323 3.878 -2.205 287 2HE MET 36 HE3 MET 36 23.611 2.812 -0.824 288 3HE MET 36 HE2 MET 36 22.206 3.924 -0.881 289 H ASP 37 HN ASP 37 27.163 3.954 -5.413 290 HA ASP 37 HA ASP 37 25.065 4.515 -7.226 291 1HB ASP 37 HB2 ASP 37 27.262 5.323 -7.712 292 2HB ASP 37 HB1 ASP 37 27.927 3.694 -7.690 293 H ASP 38 HN ASP 38 26.855 1.569 -6.503 294 HA ASP 38 HA ASP 38 25.699 -0.013 -8.567 295 1HB ASP 38 HB2 ASP 38 27.796 -0.617 -7.311 296 2HB ASP 38 HB1 ASP 38 26.765 -0.907 -5.908 297 H PHE 39 HN PHE 39 24.921 0.687 -5.235 298 HA PHE 39 HA PHE 39 22.784 -1.097 -4.908 299 1HB PHE 39 HB2 PHE 39 23.879 -0.113 -3.025 300 2HB PHE 39 HB1 PHE 39 23.505 1.513 -3.582 301 HD1 PHE 39 HD1 PHE 39 22.287 -1.488 -1.887 302 HD2 PHE 39 HD2 PHE 39 21.305 2.382 -3.287 303 HE1 PHE 39 HE1 PHE 39 20.281 -1.487 -0.459 304 HE2 PHE 39 HE2 PHE 39 19.295 2.396 -1.861 305 HZ PHE 39 HZ PHE 39 18.787 0.472 -0.470 306 H TRP 40 HN TRP 40 22.955 2.287 -6.029 307 HA TRP 40 HA TRP 40 20.173 2.630 -6.269 308 1HB TRP 40 HB2 TRP 40 22.362 4.035 -7.788 309 2HB TRP 40 HB1 TRP 40 20.678 4.553 -7.732 310 HD1 TRP 40 HD1 TRP 40 23.620 5.797 -6.471 311 HE1 TRP 40 HE1 TRP 40 23.464 6.782 -4.092 312 HE3 TRP 40 HE3 TRP 40 19.202 3.699 -5.014 313 HZ2 TRP 40 HZ2 TRP 40 21.692 6.648 -1.903 314 HZ3 TRP 40 HZ3 TRP 40 18.360 4.171 -2.784 315 HH2 TRP 40 HH2 TRP 40 19.564 5.616 -1.264 316 H ALA 41 HN ALA 41 22.558 1.404 -8.384 317 HA ALA 41 HA ALA 41 20.757 1.173 -10.613 318 1HB ALA 41 HB2 ALA 41 22.469 -0.237 -11.651 319 2HB ALA 41 HB1 ALA 41 23.199 1.213 -10.957 320 3HB ALA 41 HB3 ALA 41 23.326 -0.327 -10.113 321 H ALA 42 HN ALA 42 21.617 -0.847 -7.951 322 HA ALA 42 HA ALA 42 20.391 -3.204 -8.884 323 1HB ALA 42 HB2 ALA 42 20.904 -2.355 -6.040 324 2HB ALA 42 HB1 ALA 42 20.583 -4.005 -6.587 325 3HB ALA 42 HB3 ALA 42 22.061 -3.170 -7.077 326 H TYR 43 HN TYR 43 19.165 -0.534 -6.894 327 HA TYR 43 HA TYR 43 16.471 -1.758 -6.974 328 1HB TYR 43 HB2 TYR 43 17.685 0.193 -5.025 329 2HB TYR 43 HB1 TYR 43 15.996 -0.252 -5.054 330 HD1 TYR 43 HD1 TYR 43 19.397 -1.687 -4.518 331 HD2 TYR 43 HD2 TYR 43 15.210 -2.182 -4.027 332 HE1 TYR 43 HE1 TYR 43 19.791 -3.654 -3.085 333 HE2 TYR 43 HE2 TYR 43 15.588 -4.128 -2.604 334 HH TYR 43 HH TYR 43 18.602 -4.829 -1.334 335 H ALA 44 HN ALA 44 17.988 0.168 -8.909 336 HA ALA 44 HA ALA 44 16.871 2.605 -9.021 337 1HB ALA 44 HB3 ALA 44 18.573 1.746 -10.557 338 2HB ALA 44 HB2 ALA 44 17.333 0.821 -11.397 339 3HB ALA 44 HB1 ALA 44 17.272 2.585 -11.407 340 H GLY 45 HN GLY 45 15.284 -0.385 -9.866 341 1HA GLY 45 HA1 GLY 45 13.191 -0.872 -10.634 342 2HA GLY 45 HA2 GLY 45 13.092 0.762 -11.266 343 H TRP 46 HN TRP 46 13.659 0.064 -7.832 344 HA TRP 46 HA TRP 46 10.964 0.254 -6.975 345 1HB TRP 46 HB2 TRP 46 13.537 0.819 -5.491 346 2HB TRP 46 HB1 TRP 46 11.955 0.608 -4.769 347 HD1 TRP 46 HD1 TRP 46 14.318 -1.495 -6.988 348 HE1 TRP 46 HE1 TRP 46 14.250 -3.911 -6.146 349 HE3 TRP 46 HE3 TRP 46 10.997 -0.893 -3.185 350 HZ2 TRP 46 HZ2 TRP 46 12.976 -5.368 -4.098 351 HZ3 TRP 46 HZ3 TRP 46 10.416 -2.831 -1.819 352 HH2 TRP 46 HH2 TRP 46 11.389 -5.023 -2.268 353 H THR 47 HN THR 47 9.963 2.093 -5.874 354 HA THR 47 HA THR 47 10.741 4.641 -6.882 355 HB THR 47 HB THR 47 8.612 3.815 -4.908 356 HG1 THR 47 HG1 THR 47 8.344 4.149 -7.723 357 1HG2 THR 47 3HG2 THR 47 8.855 6.233 -6.695 358 2HG2 THR 47 2HG2 THR 47 7.482 5.858 -5.637 359 3HG2 THR 47 1HG2 THR 47 9.074 6.190 -4.942 360 H LEU 48 HN LEU 48 12.189 5.869 -5.782 361 HA LEU 48 HA LEU 48 13.081 5.129 -3.146 362 1HB LEU 48 HB2 LEU 48 14.593 5.886 -5.031 363 2HB LEU 48 HB1 LEU 48 13.862 7.460 -4.942 364 HG LEU 48 HG LEU 48 16.175 7.236 -3.955 365 1HD1 LEU 48 3HD1 LEU 48 14.793 9.139 -3.353 366 2HD1 LEU 48 2HD1 LEU 48 14.094 8.206 -2.018 367 3HD1 LEU 48 1HD1 LEU 48 15.826 8.581 -2.037 368 1HD2 LEU 48 1HD2 LEU 48 15.933 5.076 -2.894 369 2HD2 LEU 48 3HD2 LEU 48 16.394 6.315 -1.730 370 3HD2 LEU 48 2HD2 LEU 48 14.731 5.748 -1.784 371 H VAL 49 HN VAL 49 11.783 5.691 -1.501 372 HA VAL 49 HA VAL 49 10.012 7.958 -1.837 373 HB VAL 49 HB VAL 49 10.155 6.105 0.608 374 1HG1 VAL 49 2HG1 VAL 49 8.035 8.012 -0.309 375 2HG1 VAL 49 1HG1 VAL 49 7.935 6.905 1.065 376 3HG1 VAL 49 3HG1 VAL 49 9.122 8.211 1.070 377 1HG2 VAL 49 3HG2 VAL 49 8.381 5.962 -1.818 378 2HG2 VAL 49 2HG2 VAL 49 9.694 4.848 -1.431 379 3HG2 VAL 49 1HG2 VAL 49 8.279 4.944 -0.382 380 H GLU 50 HN GLU 50 12.585 6.931 0.354 381 HA GLU 50 HA GLU 50 13.613 9.550 0.366 382 1HB GLU 50 HB2 GLU 50 13.600 9.939 2.815 383 2HB GLU 50 HB1 GLU 50 11.975 10.028 2.118 384 1HG GLU 50 HG2 GLU 50 11.560 7.818 2.996 385 2HG GLU 50 HG1 GLU 50 13.195 7.751 3.669 386 H GLN 51 HN GLN 51 15.681 9.636 1.227 387 HA GLN 51 HA GLN 51 16.695 7.163 2.336 388 1HB GLN 51 HB2 GLN 51 18.714 7.344 0.985 389 2HB GLN 51 HB1 GLN 51 17.267 7.077 0.016 390 1HG GLN 51 HG2 GLN 51 17.261 9.360 -0.697 391 2HG GLN 51 HG1 GLN 51 18.570 9.750 0.423 392 1HE2 GLN 51 1HE2 GLN 51 17.716 8.033 -2.440 393 2HE2 GLN 51 2HE2 GLN 51 19.322 7.770 -3.014 394 H LYS 52 HN LYS 52 18.464 7.410 3.616 395 HA LYS 52 HA LYS 52 19.556 10.020 4.037 396 1HB LYS 52 HB2 LYS 52 19.227 9.668 6.565 397 2HB LYS 52 HB1 LYS 52 17.814 10.156 5.643 398 1HG LYS 52 HG2 LYS 52 17.213 7.770 5.489 399 2HG LYS 52 HG1 LYS 52 18.418 7.381 6.713 400 1HD LYS 52 HD2 LYS 52 16.421 7.616 7.900 401 2HD LYS 52 HD1 LYS 52 17.166 9.213 8.088 402 1HE LYS 52 HE2 LYS 52 15.881 10.051 6.228 403 2HE LYS 52 HE1 LYS 52 15.206 8.447 5.966 404 1HZ LYS 52 HZ3 LYS 52 14.182 8.666 8.244 405 2HZ LYS 52 HZ2 LYS 52 14.680 10.283 8.247 406 3HZ LYS 52 HZ1 LYS 52 13.610 9.726 7.059 407 H LYS 53 HN LYS 53 21.463 9.683 5.668 408 HA LYS 53 HA LYS 53 23.091 7.710 4.365 409 1HB LYS 53 HB2 LYS 53 23.641 10.099 5.320 410 2HB LYS 53 HB1 LYS 53 23.920 9.207 6.808 411 1HG LYS 53 HG2 LYS 53 25.276 8.577 4.207 412 2HG LYS 53 HG1 LYS 53 25.934 9.686 5.404 413 1HD LYS 53 HD2 LYS 53 25.962 7.831 7.035 414 2HD LYS 53 HD1 LYS 53 25.353 6.755 5.781 415 1HE LYS 53 HE2 LYS 53 27.225 7.041 4.450 416 2HE LYS 53 HE1 LYS 53 27.847 8.371 5.426 417 1HZ LYS 53 HZ2 LYS 53 27.652 5.518 6.298 418 2HZ LYS 53 HZ1 LYS 53 29.072 6.334 5.892 419 3HZ LYS 53 HZ3 LYS 53 28.199 6.800 7.247 420 H GLY 54 HN GLY 54 22.316 5.738 4.806 421 1HA GLY 54 HA1 GLY 54 22.476 4.844 7.611 422 2HA GLY 54 HA2 GLY 54 23.247 3.935 6.317 423 H TYR 55 HN TYR 55 20.116 5.494 5.812 424 HA TYR 55 HA TYR 55 18.903 2.865 5.695 425 1HB TYR 55 HB2 TYR 55 18.207 3.578 7.811 426 2HB TYR 55 HB1 TYR 55 18.154 5.258 7.330 427 HD1 TYR 55 HD1 TYR 55 16.340 6.033 5.974 428 HD2 TYR 55 HD2 TYR 55 16.224 2.213 7.729 429 HE1 TYR 55 HE1 TYR 55 13.905 6.040 5.698 430 HE2 TYR 55 HE2 TYR 55 13.764 2.137 7.468 431 HH TYR 55 HH TYR 55 12.068 4.315 5.525 432 H VAL 56 HN VAL 56 17.638 2.632 3.922 433 HA VAL 56 HA VAL 56 16.861 5.033 2.463 434 HB VAL 56 HB VAL 56 17.976 2.468 1.269 435 1HG1 VAL 56 3HG1 VAL 56 16.836 4.892 -0.103 436 2HG1 VAL 56 2HG1 VAL 56 17.628 3.534 -0.905 437 3HG1 VAL 56 1HG1 VAL 56 16.103 3.292 -0.053 438 1HG2 VAL 56 1HG2 VAL 56 19.675 4.070 2.087 439 2HG2 VAL 56 3HG2 VAL 56 19.706 3.882 0.333 440 3HG2 VAL 56 2HG2 VAL 56 18.963 5.308 1.037 441 H LEU 57 HN LEU 57 14.783 5.033 1.735 442 HA LEU 57 HA LEU 57 13.188 2.674 2.331 443 1HB LEU 57 HB2 LEU 57 12.499 4.368 3.782 444 2HB LEU 57 HB1 LEU 57 12.670 5.612 2.566 445 HG LEU 57 HG LEU 57 10.698 4.696 1.411 446 1HD1 LEU 57 2HD1 LEU 57 10.777 2.501 2.023 447 2HD1 LEU 57 1HD1 LEU 57 10.293 2.889 3.705 448 3HD1 LEU 57 3HD1 LEU 57 9.240 3.327 2.330 449 1HD2 LEU 57 2HD2 LEU 57 10.361 5.580 4.247 450 2HD2 LEU 57 1HD2 LEU 57 10.275 6.554 2.785 451 3HD2 LEU 57 3HD2 LEU 57 9.006 5.381 3.130 452 H PHE 58 HN PHE 58 12.544 1.644 0.653 453 HA PHE 58 HA PHE 58 11.962 3.001 -1.918 454 1HB PHE 58 HB2 PHE 58 13.363 0.420 -1.335 455 2HB PHE 58 HB1 PHE 58 12.443 0.598 -2.808 456 HD1 PHE 58 HD1 PHE 58 15.578 0.908 -1.316 457 HD2 PHE 58 HD2 PHE 58 13.073 2.636 -4.252 458 HE1 PHE 58 HE1 PHE 58 17.547 1.822 -2.453 459 HE2 PHE 58 HE2 PHE 58 15.032 3.593 -5.388 460 HZ PHE 58 HZ PHE 58 17.278 3.174 -4.495 461 H ARG 59 HN ARG 59 10.181 2.266 -3.025 462 HA ARG 59 HA ARG 59 8.733 0.045 -1.809 463 1HB ARG 59 HB2 ARG 59 6.574 1.082 -2.325 464 2HB ARG 59 HB1 ARG 59 7.516 2.079 -1.227 465 1HG ARG 59 HG2 ARG 59 8.115 3.540 -3.060 466 2HG ARG 59 HG1 ARG 59 7.154 2.525 -4.166 467 1HD ARG 59 HD2 ARG 59 6.039 4.544 -3.425 468 2HD ARG 59 HD1 ARG 59 5.158 3.065 -3.011 469 HE ARG 59 HE ARG 59 6.563 3.480 -0.768 470 1HH1 ARG 59 1HH1 ARG 59 4.690 5.895 -2.603 471 2HH1 ARG 59 2HH1 ARG 59 4.213 6.716 -1.190 472 1HH2 ARG 59 1HH2 ARG 59 5.939 4.542 1.011 473 2HH2 ARG 59 2HH2 ARG 59 4.929 5.948 0.943 474 H LYS 60 HN LYS 60 7.832 -1.352 -3.139 475 HA LYS 60 HA LYS 60 8.044 -0.941 -6.034 476 1HB LYS 60 HB2 LYS 60 9.947 -2.228 -5.394 477 2HB LYS 60 HB1 LYS 60 8.965 -3.299 -4.395 478 1HG LYS 60 HG2 LYS 60 9.354 -4.573 -6.299 479 2HG LYS 60 HG1 LYS 60 7.807 -3.835 -6.692 480 1HD LYS 60 HD2 LYS 60 9.228 -3.666 -8.631 481 2HD LYS 60 HD1 LYS 60 9.088 -2.049 -7.930 482 1HE LYS 60 HE2 LYS 60 11.233 -2.122 -6.997 483 2HE LYS 60 HE1 LYS 60 11.354 -3.852 -7.182 484 1HZ LYS 60 HZ3 LYS 60 11.302 -1.944 -9.488 485 2HZ LYS 60 HZ2 LYS 60 12.666 -2.743 -8.852 486 3HZ LYS 60 HZ1 LYS 60 11.453 -3.610 -9.538 487 H GLN 61 HN GLN 61 6.114 -1.377 -6.897 488 HA GLN 61 HA GLN 61 4.425 -3.251 -5.481 489 1HB GLN 61 HB2 GLN 61 2.452 -1.854 -6.105 490 2HB GLN 61 HB1 GLN 61 3.628 -1.099 -5.027 491 1HG GLN 61 HG2 GLN 61 4.598 0.000 -7.020 492 2HG GLN 61 HG1 GLN 61 3.151 -0.577 -7.879 493 1HE2 GLN 61 1HE2 GLN 61 4.430 1.529 -5.546 494 2HE2 GLN 61 2HE2 GLN 61 3.096 2.550 -5.235 495 H MET 62 HN MET 62 4.218 -4.964 -6.528 496 HA MET 62 HA MET 62 4.979 -5.241 -9.265 497 1HB MET 62 HB2 MET 62 3.757 -7.297 -7.429 498 2HB MET 62 HB1 MET 62 4.610 -7.625 -8.923 499 1HG MET 62 HG2 MET 62 6.084 -8.168 -7.152 500 2HG MET 62 HG1 MET 62 6.666 -6.651 -7.827 501 1HE MET 62 HE3 MET 62 7.531 -7.844 -4.955 502 2HE MET 62 HE2 MET 62 8.173 -6.341 -5.616 503 3HE MET 62 HE1 MET 62 7.517 -6.375 -3.979 504 H ASP 63 HN ASP 63 2.081 -4.463 -7.853 505 HA ASP 63 HA ASP 63 -0.069 -4.292 -8.498 506 1HB ASP 63 HB2 ASP 63 0.677 -3.255 -10.556 507 2HB ASP 63 HB1 ASP 63 1.013 -4.819 -11.282 508 H ASP 64 HN ASP 64 -0.758 -5.867 -7.267 509 HA ASP 64 HA ASP 64 -2.540 -7.665 -8.232 510 1HB ASP 64 HB2 ASP 64 -0.530 -9.086 -8.913 511 2HB ASP 64 HB1 ASP 64 0.006 -9.066 -7.239 512 H ILE 65 HN ILE 65 -3.181 -9.043 -6.225 513 HA ILE 65 HA ILE 65 -2.640 -7.345 -3.907 514 HB ILE 65 HB ILE 65 -4.761 -8.017 -2.989 515 1HG1 ILE 65 2HG1 ILE 65 -5.112 -9.598 -5.514 516 2HG1 ILE 65 1HG1 ILE 65 -5.013 -10.225 -3.880 517 1HG2 ILE 65 3HG2 ILE 65 -4.930 -6.906 -5.770 518 2HG2 ILE 65 2HG2 ILE 65 -6.299 -6.930 -4.652 519 3HG2 ILE 65 1HG2 ILE 65 -4.831 -6.042 -4.235 520 1HD1 ILE 65 3HD1 ILE 65 -7.260 -8.489 -4.904 521 2HD1 ILE 65 2HD1 ILE 65 -7.345 -10.236 -4.717 522 3HD1 ILE 65 1HD1 ILE 65 -7.145 -9.203 -3.298 523 H SER 66 HN SER 66 -2.878 -8.558 -1.831 524 HA SER 66 HA SER 66 -0.962 -10.639 -1.726 525 1HB SER 66 HB2 SER 66 -2.916 -9.818 0.418 526 2HB SER 66 HB1 SER 66 -1.353 -10.586 0.654 527 HG SER 66 HG SER 66 -1.939 -7.951 -0.154 528 HA PRO 67 HA PRO 67 -3.296 -14.287 -2.432 529 1HB PRO 67 HB2 PRO 67 -2.323 -15.977 -0.458 530 2HB PRO 67 HB1 PRO 67 -1.533 -15.659 -2.007 531 1HG PRO 67 HG2 PRO 67 -0.978 -14.501 0.682 532 2HG PRO 67 HG1 PRO 67 0.150 -14.935 -0.612 533 1HD PRO 67 HD2 PRO 67 -0.571 -12.389 -0.090 534 2HD PRO 67 HD1 PRO 67 -0.189 -12.918 -1.731 535 H LEU 68 HN LEU 68 -3.122 -13.547 1.031 536 HA LEU 68 HA LEU 68 -5.481 -15.021 1.678 537 1HB LEU 68 HB2 LEU 68 -3.457 -14.184 3.168 538 2HB LEU 68 HB1 LEU 68 -4.463 -12.774 3.382 539 HG LEU 68 HG LEU 68 -4.665 -14.298 5.273 540 1HD1 LEU 68 2HD1 LEU 68 -6.643 -12.990 4.725 541 2HD1 LEU 68 1HD1 LEU 68 -7.198 -14.301 3.677 542 3HD1 LEU 68 3HD1 LEU 68 -7.061 -14.562 5.414 543 1HD2 LEU 68 2HD2 LEU 68 -4.132 -16.359 4.100 544 2HD2 LEU 68 1HD2 LEU 68 -5.623 -16.515 5.041 545 3HD2 LEU 68 3HD2 LEU 68 -5.695 -16.309 3.292 546 H SER 69 HN SER 69 -4.771 -11.716 0.780 547 HA SER 69 HA SER 69 -7.210 -10.556 1.395 548 1HB SER 69 HB2 SER 69 -5.332 -9.871 -0.846 549 2HB SER 69 HB1 SER 69 -6.421 -8.780 0.025 550 HG SER 69 HG SER 69 -4.542 -8.464 1.032 551 H LYS 70 HN LYS 70 -6.220 -12.653 -1.225 552 HA LYS 70 HA LYS 70 -8.445 -12.098 -2.938 553 1HB LYS 70 HB2 LYS 70 -6.663 -14.531 -2.909 554 2HB LYS 70 HB1 LYS 70 -7.636 -13.933 -4.247 555 1HG LYS 70 HG2 LYS 70 -6.271 -11.918 -4.314 556 2HG LYS 70 HG1 LYS 70 -5.267 -12.567 -3.021 557 1HD LYS 70 HD2 LYS 70 -4.692 -14.463 -4.507 558 2HD LYS 70 HD1 LYS 70 -5.641 -13.685 -5.782 559 1HE LYS 70 HE2 LYS 70 -4.237 -11.634 -5.356 560 2HE LYS 70 HE1 LYS 70 -3.187 -12.682 -4.428 561 1HZ LYS 70 HZ2 LYS 70 -3.858 -13.196 -7.273 562 2HZ LYS 70 HZ1 LYS 70 -2.464 -12.387 -6.778 563 3HZ LYS 70 HZ3 LYS 70 -2.710 -14.001 -6.346 564 H VAL 71 HN VAL 71 -7.824 -14.172 -0.216 565 HA VAL 71 HA VAL 71 -10.062 -15.891 -0.887 566 HB VAL 71 HB VAL 71 -9.409 -17.383 0.833 567 1HG1 VAL 71 2HG1 VAL 71 -7.841 -17.371 -0.996 568 2HG1 VAL 71 1HG1 VAL 71 -6.904 -16.131 -0.140 569 3HG1 VAL 71 3HG1 VAL 71 -7.026 -17.749 0.539 570 1HG2 VAL 71 1HG2 VAL 71 -9.210 -15.807 2.694 571 2HG2 VAL 71 3HG2 VAL 71 -7.823 -16.902 2.625 572 3HG2 VAL 71 2HG2 VAL 71 -7.677 -15.246 2.030 573 H ASN 72 HN ASN 72 -9.170 -13.454 1.346 574 HA ASN 72 HA ASN 72 -11.688 -13.504 2.780 575 1HB ASN 72 HB2 ASN 72 -9.677 -12.904 4.031 576 2HB ASN 72 HB1 ASN 72 -9.323 -11.598 2.910 577 1HD2 ASN 72 1HD2 ASN 72 -11.334 -12.692 5.517 578 2HD2 ASN 72 2HD2 ASN 72 -11.955 -11.156 5.966 579 H GLY 73 HN GLY 73 -10.060 -10.798 1.190 580 1HA GLY 73 HA1 GLY 73 -11.997 -10.501 -0.816 581 2HA GLY 73 HA2 GLY 73 -10.730 -9.364 -0.416 582 H TYR 74 HN TYR 74 -11.222 -8.013 1.708 583 HA TYR 74 HA TYR 74 -13.985 -7.212 1.597 584 1HB TYR 74 HB2 TYR 74 -12.291 -7.861 3.992 585 2HB TYR 74 HB1 TYR 74 -13.543 -6.639 4.092 586 HD1 TYR 74 HD1 TYR 74 -15.586 -7.291 4.845 587 HD2 TYR 74 HD2 TYR 74 -13.127 -10.195 2.988 588 HE1 TYR 74 HE1 TYR 74 -17.235 -9.001 5.375 589 HE2 TYR 74 HE2 TYR 74 -14.772 -11.932 3.498 590 HH TYR 74 HH TYR 74 -16.516 -12.265 5.215 591 H ILE 75 HN ILE 75 -14.226 -5.155 1.971 592 HA ILE 75 HA ILE 75 -11.885 -3.411 2.110 593 HB ILE 75 HB ILE 75 -14.270 -3.408 0.379 594 1HG1 ILE 75 2HG1 ILE 75 -11.406 -2.784 -0.268 595 2HG1 ILE 75 1HG1 ILE 75 -12.200 -4.344 -0.420 596 1HG2 ILE 75 2HG2 ILE 75 -14.278 -1.100 1.372 597 2HG2 ILE 75 1HG2 ILE 75 -12.583 -0.895 0.949 598 3HG2 ILE 75 3HG2 ILE 75 -13.802 -0.973 -0.317 599 1HD1 ILE 75 2HD1 ILE 75 -13.680 -3.374 -2.163 600 2HD1 ILE 75 1HD1 ILE 75 -12.868 -1.829 -1.973 601 3HD1 ILE 75 3HD1 ILE 75 -11.985 -3.213 -2.600 602 H GLY 76 HN GLY 76 -12.254 -1.571 3.448 603 1HA GLY 76 HA1 GLY 76 -13.034 -1.696 5.816 604 2HA GLY 76 HA2 GLY 76 -14.631 -1.875 5.107 605 H VAL 77 HN VAL 77 -15.720 -0.174 4.498 606 HA VAL 77 HA VAL 77 -14.278 2.324 4.626 607 HB VAL 77 HB VAL 77 -16.849 1.668 3.245 608 1HG1 VAL 77 1HG1 VAL 77 -15.373 4.307 3.339 609 2HG1 VAL 77 3HG1 VAL 77 -16.769 3.961 2.317 610 3HG1 VAL 77 2HG1 VAL 77 -16.940 3.970 4.075 611 1HG2 VAL 77 3HG2 VAL 77 -14.122 2.333 2.195 612 2HG2 VAL 77 2HG2 VAL 77 -14.964 0.796 2.065 613 3HG2 VAL 77 1HG2 VAL 77 -15.555 2.198 1.178 614 H SER 78 HN SER 78 -14.747 3.731 6.020 615 HA SER 78 HA SER 78 -16.688 2.960 8.062 616 1HB SER 78 HB2 SER 78 -14.460 4.993 8.212 617 2HB SER 78 HB1 SER 78 -15.401 4.330 9.551 618 HG SER 78 HG SER 78 -14.235 2.427 7.981 619 H ASP 79 HN ASP 79 -17.623 5.028 9.179 620 HA ASP 79 HA ASP 79 -19.625 6.008 7.563 621 1HB ASP 79 HB2 ASP 79 -19.582 5.906 10.049 622 2HB ASP 79 HB1 ASP 79 -18.566 7.339 10.048 623 H ASN 80 HN ASN 80 -16.556 7.530 8.266 624 HA ASN 80 HA ASN 80 -17.219 9.992 6.875 625 1HB ASN 80 HB2 ASN 80 -14.714 9.007 8.210 626 2HB ASN 80 HB1 ASN 80 -14.702 10.449 7.209 627 1HD2 ASN 80 1HD2 ASN 80 -15.816 9.031 10.150 628 2HD2 ASN 80 2HD2 ASN 80 -16.302 10.498 10.913 629 H GLY 81 HN GLY 81 -16.945 7.199 5.569 630 1HA GLY 81 HA1 GLY 81 -16.093 8.180 3.054 631 2HA GLY 81 HA2 GLY 81 -16.589 6.536 3.440 632 H VAL 82 HN VAL 82 -14.774 6.213 5.504 633 HA VAL 82 HA VAL 82 -12.114 6.682 4.539 634 HB VAL 82 HB VAL 82 -12.927 4.696 6.681 635 1HG1 VAL 82 1HG1 VAL 82 -10.410 6.293 6.275 636 2HG1 VAL 82 3HG1 VAL 82 -10.724 5.206 7.625 637 3HG1 VAL 82 2HG1 VAL 82 -10.603 4.565 5.986 638 1HG2 VAL 82 1HG2 VAL 82 -13.979 6.875 7.120 639 2HG2 VAL 82 3HG2 VAL 82 -12.754 6.476 8.324 640 3HG2 VAL 82 2HG2 VAL 82 -12.395 7.642 7.050 641 H ILE 83 HN ILE 83 -11.366 5.685 2.879 642 HA ILE 83 HA ILE 83 -12.513 3.271 1.799 643 HB ILE 83 HB ILE 83 -10.352 5.021 0.520 644 1HG1 ILE 83 2HG1 ILE 83 -12.347 6.329 0.986 645 2HG1 ILE 83 1HG1 ILE 83 -12.243 6.003 -0.743 646 1HG2 ILE 83 2HG2 ILE 83 -12.263 2.963 -0.674 647 2HG2 ILE 83 1HG2 ILE 83 -11.174 4.001 -1.612 648 3HG2 ILE 83 3HG2 ILE 83 -10.530 2.780 -0.516 649 1HD1 ILE 83 1HD1 ILE 83 -13.928 4.498 1.224 650 2HD1 ILE 83 3HD1 ILE 83 -14.528 5.749 0.126 651 3HD1 ILE 83 2HD1 ILE 83 -13.885 4.240 -0.530 652 H SER 84 HN SER 84 -11.365 2.496 3.980 653 HA SER 84 HA SER 84 -8.556 1.768 3.309 654 1HB SER 84 HB2 SER 84 -9.969 1.696 5.974 655 2HB SER 84 HB1 SER 84 -8.233 1.492 5.679 656 HG SER 84 HG SER 84 -9.492 3.670 4.634 657 H THR 85 HN THR 85 -7.924 -0.485 3.828 658 HA THR 85 HA THR 85 -10.274 -2.114 3.515 659 HB THR 85 HB THR 85 -8.818 -3.873 2.609 660 HG1 THR 85 HG1 THR 85 -6.649 -3.001 1.977 661 1HG2 THR 85 1HG2 THR 85 -9.886 -2.256 1.116 662 2HG2 THR 85 3HG2 THR 85 -8.494 -1.185 1.270 663 3HG2 THR 85 2HG2 THR 85 -8.316 -2.753 0.489 664 H PHE 86 HN PHE 86 -10.668 -3.811 4.692 665 HA PHE 86 HA PHE 86 -9.068 -4.261 7.061 666 1HB PHE 86 HB2 PHE 86 -12.072 -4.018 6.774 667 2HB PHE 86 HB1 PHE 86 -11.304 -4.786 8.148 668 HD1 PHE 86 HD1 PHE 86 -11.089 -1.546 6.302 669 HD2 PHE 86 HD2 PHE 86 -11.161 -3.578 9.983 670 HE1 PHE 86 HE1 PHE 86 -11.130 0.637 7.470 671 HE2 PHE 86 HE2 PHE 86 -11.189 -1.413 11.205 672 HZ PHE 86 HZ PHE 86 -11.175 0.696 9.934 673 H HIS 87 HN HIS 87 -8.876 -6.439 7.361 674 HA HIS 87 HA HIS 87 -10.246 -8.014 5.357 675 1HB HIS 87 HB2 HIS 87 -7.714 -8.672 6.876 676 2HB HIS 87 HB1 HIS 87 -8.610 -9.895 5.968 677 HD1 HIS 87 HD1 HIS 87 -5.654 -8.445 5.305 678 HD2 HIS 87 HD2 HIS 87 -9.301 -8.075 3.330 679 HE1 HIS 87 HE1 HIS 87 -5.127 -7.646 2.975 680 H GLY 88 HN GLY 88 -11.990 -8.596 5.883 681 1HA GLY 88 HA1 GLY 88 -12.540 -9.518 8.627 682 2HA GLY 88 HA2 GLY 88 -13.363 -10.114 7.172 683 H ARG 89 HN ARG 89 -15.109 -9.287 8.803 684 HA ARG 89 HA ARG 89 -16.434 -7.143 7.662 685 1HB ARG 89 HB2 ARG 89 -16.735 -8.314 10.423 686 2HB ARG 89 HB1 ARG 89 -17.853 -7.154 9.733 687 1HG ARG 89 HG2 ARG 89 -17.276 -9.882 8.559 688 2HG ARG 89 HG1 ARG 89 -18.648 -9.507 9.603 689 1HD ARG 89 HD2 ARG 89 -19.467 -7.897 7.989 690 2HD ARG 89 HD1 ARG 89 -18.076 -8.169 6.954 691 HE ARG 89 HE ARG 89 -19.678 -10.495 7.547 692 1HH1 ARG 89 1HH1 ARG 89 -19.189 -7.805 5.290 693 2HH1 ARG 89 2HH1 ARG 89 -19.920 -8.556 3.958 694 1HH2 ARG 89 1HH2 ARG 89 -20.745 -11.544 5.736 695 2HH2 ARG 89 2HH2 ARG 89 -20.871 -10.772 4.230 696 HA PRO 90 HA PRO 90 -14.051 -3.799 9.343 697 1HB PRO 90 HB2 PRO 90 -15.619 -1.805 8.242 698 2HB PRO 90 HB1 PRO 90 -14.273 -2.605 7.427 699 1HG PRO 90 HG2 PRO 90 -17.186 -2.982 7.078 700 2HG PRO 90 HG1 PRO 90 -15.883 -3.266 5.926 701 1HD PRO 90 HD2 PRO 90 -17.263 -5.206 7.342 702 2HD PRO 90 HD1 PRO 90 -15.705 -5.462 6.553 703 H GLU 91 HN GLU 91 -14.365 -3.803 11.409 704 HA GLU 91 HA GLU 91 -16.501 -2.185 12.534 705 1HB GLU 91 HB2 GLU 91 -16.841 -3.892 14.329 706 2HB GLU 91 HB1 GLU 91 -17.173 -4.559 12.753 707 1HG GLU 91 HG2 GLU 91 -15.008 -5.651 12.730 708 2HG GLU 91 HG1 GLU 91 -14.657 -4.990 14.332 709 HA PRO 92 HA PRO 92 -13.046 -0.491 14.862 710 1HB PRO 92 HB2 PRO 92 -13.872 -0.626 17.502 711 2HB PRO 92 HB1 PRO 92 -14.309 0.678 16.384 712 1HG PRO 92 HG2 PRO 92 -15.869 -1.691 17.274 713 2HG PRO 92 HG1 PRO 92 -16.432 -0.065 16.867 714 1HD PRO 92 HD2 PRO 92 -16.694 -2.215 15.211 715 2HD PRO 92 HD1 PRO 92 -16.549 -0.547 14.603 716 H ALA 93 HN ALA 93 -14.255 -3.568 15.803 717 HA ALA 93 HA ALA 93 -11.881 -4.290 17.282 718 1HB ALA 93 HB2 ALA 93 -14.069 -5.188 17.890 719 2HB ALA 93 HB3 ALA 93 -12.920 -6.473 17.499 720 3HB ALA 93 HB1 ALA 93 -14.167 -6.008 16.334 721 H SER 94 HN SER 94 -12.554 -3.886 14.113 722 HA SER 94 HA SER 94 -10.751 -6.020 13.238 723 1HB SER 94 HB2 SER 94 -13.000 -5.672 12.091 724 2HB SER 94 HB1 SER 94 -12.409 -4.107 11.552 725 HG SER 94 HG SER 94 -12.278 -6.106 10.183 726 H GLU 95 HN GLU 95 -9.171 -5.091 11.419 727 HA GLU 95 HA GLU 95 -7.919 -2.783 12.729 728 1HB GLU 95 HB2 GLU 95 -6.674 -5.091 11.278 729 2HB GLU 95 HB1 GLU 95 -5.793 -3.705 11.898 730 1HG GLU 95 HG2 GLU 95 -6.444 -4.260 14.153 731 2HG GLU 95 HG1 GLU 95 -7.425 -5.598 13.557 732 HA PRO 96 HA PRO 96 -8.069 -0.830 8.667 733 1HB PRO 96 HB2 PRO 96 -6.603 1.356 9.900 734 2HB PRO 96 HB1 PRO 96 -8.250 1.370 9.257 735 1HG PRO 96 HG2 PRO 96 -7.626 1.565 11.885 736 2HG PRO 96 HG1 PRO 96 -9.173 0.922 11.274 737 1HD PRO 96 HD2 PRO 96 -6.792 -0.521 12.356 738 2HD PRO 96 HD1 PRO 96 -8.523 -0.902 12.509 739 H ILE 97 HN ILE 97 -6.706 -1.839 7.594 740 HA ILE 97 HA ILE 97 -4.043 -2.496 8.300 741 HB ILE 97 HB ILE 97 -5.382 -2.643 5.586 742 1HG1 ILE 97 2HG1 ILE 97 -5.144 -4.781 7.711 743 2HG1 ILE 97 1HG1 ILE 97 -6.569 -3.776 7.482 744 1HG2 ILE 97 1HG2 ILE 97 -2.984 -4.118 6.691 745 2HG2 ILE 97 3HG2 ILE 97 -3.746 -4.419 5.125 746 3HG2 ILE 97 2HG2 ILE 97 -2.957 -2.872 5.437 747 1HD1 ILE 97 1HD1 ILE 97 -5.411 -5.666 5.453 748 2HD1 ILE 97 3HD1 ILE 97 -6.835 -5.943 6.462 749 3HD1 ILE 97 2HD1 ILE 97 -6.855 -4.657 5.261 750 H GLN 98 HN GLN 98 -5.401 -0.044 6.126 751 HA GLN 98 HA GLN 98 -3.077 1.599 6.346 752 1HB GLN 98 HB2 GLN 98 -2.388 1.576 4.078 753 2HB GLN 98 HB1 GLN 98 -2.730 -0.122 4.332 754 1HG GLN 98 HG2 GLN 98 -4.552 1.879 2.974 755 2HG GLN 98 HG1 GLN 98 -3.575 0.651 2.186 756 1HE2 GLN 98 1HE2 GLN 98 -4.175 -1.420 4.040 757 2HE2 GLN 98 2HE2 GLN 98 -5.842 -1.854 3.745 758 H SER 99 HN SER 99 -3.822 3.604 4.698 759 HA SER 99 HA SER 99 -6.662 3.496 4.465 760 1HB SER 99 HB2 SER 99 -6.119 4.552 6.712 761 2HB SER 99 HB1 SER 99 -5.347 5.874 5.833 762 HG SER 99 HG SER 99 -8.012 5.018 5.785 763 H PHE 100 HN PHE 100 -7.195 4.277 2.489 764 HA PHE 100 HA PHE 100 -5.150 5.486 0.865 765 1HB PHE 100 HB2 PHE 100 -7.976 4.601 0.265 766 2HB PHE 100 HB1 PHE 100 -6.975 5.424 -0.918 767 HD1 PHE 100 HD1 PHE 100 -7.416 2.322 1.014 768 HD2 PHE 100 HD2 PHE 100 -5.219 4.280 -2.054 769 HE1 PHE 100 HE1 PHE 100 -6.477 0.159 0.307 770 HE2 PHE 100 HE2 PHE 100 -4.281 2.118 -2.764 771 HZ PHE 100 HZ PHE 100 -4.911 0.057 -1.586 772 H PHE 101 HN PHE 101 -8.553 6.366 1.557 773 HA PHE 101 HA PHE 101 -7.962 9.011 2.215 774 1HB PHE 101 HB2 PHE 101 -9.069 10.112 0.220 775 2HB PHE 101 HB1 PHE 101 -7.518 9.358 -0.125 776 HD1 PHE 101 HD1 PHE 101 -11.147 9.171 -0.684 777 HD2 PHE 101 HD2 PHE 101 -7.355 7.482 -1.609 778 HE1 PHE 101 HE1 PHE 101 -12.149 7.935 -2.557 779 HE2 PHE 101 HE2 PHE 101 -8.357 6.239 -3.479 780 HZ PHE 101 HZ PHE 101 -10.758 6.469 -3.953 781 H GLN 102 HN GLN 102 -10.252 10.283 1.868 782 HA GLN 102 HA GLN 102 -12.336 8.487 2.838 783 1HB GLN 102 HB2 GLN 102 -11.369 11.064 4.018 784 2HB GLN 102 HB1 GLN 102 -13.031 10.524 4.245 785 1HG GLN 102 HG2 GLN 102 -12.381 8.597 5.322 786 2HG GLN 102 HG1 GLN 102 -10.685 8.766 4.952 787 1HE2 GLN 102 1HE2 GLN 102 -12.841 11.339 6.080 788 2HE2 GLN 102 2HE2 GLN 102 -12.098 11.545 7.616 789 H ILE 103 HN ILE 103 -14.447 9.080 2.409 790 HA ILE 103 HA ILE 103 -14.888 11.211 0.432 791 HB ILE 103 HB ILE 103 -16.170 9.758 -1.083 792 1HG1 ILE 103 2HG1 ILE 103 -15.506 7.488 0.814 793 2HG1 ILE 103 1HG1 ILE 103 -17.091 8.231 0.633 794 1HG2 ILE 103 1HG2 ILE 103 -13.516 8.549 -0.440 795 2HG2 ILE 103 3HG2 ILE 103 -14.455 8.269 -1.910 796 3HG2 ILE 103 2HG2 ILE 103 -13.872 9.887 -1.545 797 1HD1 ILE 103 2HD1 ILE 103 -17.140 7.533 -1.698 798 2HD1 ILE 103 1HD1 ILE 103 -15.584 6.743 -1.496 799 3HD1 ILE 103 3HD1 ILE 103 -16.994 6.150 -0.600 800 H ASP 104 HN ASP 104 -17.271 11.620 0.151 801 HA ASP 104 HA ASP 104 -18.519 11.437 2.743 802 1HB ASP 104 HB2 ASP 104 -19.037 13.056 0.290 803 2HB ASP 104 HB1 ASP 104 -20.392 12.732 1.354 804 H LEU 105 HN LEU 105 -19.564 9.662 3.265 805 HA LEU 105 HA LEU 105 -20.661 7.952 1.293 806 1HB LEU 105 HB2 LEU 105 -21.096 7.953 4.262 807 2HB LEU 105 HB1 LEU 105 -21.728 6.755 3.164 808 HG LEU 105 HG LEU 105 -18.898 7.200 4.012 809 1HD1 LEU 105 3HD1 LEU 105 -20.772 4.884 3.889 810 2HD1 LEU 105 2HD1 LEU 105 -19.083 4.756 4.396 811 3HD1 LEU 105 1HD1 LEU 105 -20.236 5.724 5.342 812 1HD2 LEU 105 1HD2 LEU 105 -19.856 5.666 1.608 813 2HD2 LEU 105 3HD2 LEU 105 -18.763 7.049 1.594 814 3HD2 LEU 105 2HD2 LEU 105 -18.242 5.517 2.299 815 H GLU 106 HN GLU 106 -21.867 10.495 3.194 816 HA GLU 106 HA GLU 106 -24.566 10.057 2.571 817 1HB GLU 106 HB2 GLU 106 -24.827 12.468 3.233 818 2HB GLU 106 HB1 GLU 106 -24.076 11.409 4.420 819 1HG GLU 106 HG2 GLU 106 -21.902 12.255 3.862 820 2HG GLU 106 HG1 GLU 106 -22.591 13.260 2.588 821 H ARG 107 HN ARG 107 -21.951 11.169 0.623 822 HA ARG 107 HA ARG 107 -23.806 12.395 -1.235 823 1HB ARG 107 HB2 ARG 107 -22.033 13.491 -2.175 824 2HB ARG 107 HB1 ARG 107 -21.312 13.136 -0.625 825 1HG ARG 107 HG2 ARG 107 -20.187 11.214 -1.538 826 2HG ARG 107 HG1 ARG 107 -20.974 11.496 -3.095 827 1HD ARG 107 HD2 ARG 107 -18.950 13.288 -1.725 828 2HD ARG 107 HD1 ARG 107 -18.732 12.351 -3.178 829 HE ARG 107 HE ARG 107 -20.901 14.072 -3.489 830 1HH1 ARG 107 1HH1 ARG 107 -17.421 14.251 -3.145 831 2HH1 ARG 107 2HH1 ARG 107 -17.178 15.477 -4.312 832 1HH2 ARG 107 1HH2 ARG 107 -20.624 15.857 -5.042 833 2HH2 ARG 107 2HH2 ARG 107 -19.063 16.436 -5.399 834 H LEU 108 HN LEU 108 -22.250 9.422 -0.608 835 HA LEU 108 HA LEU 108 -22.471 8.132 -3.112 836 1HB LEU 108 HB2 LEU 108 -22.440 7.172 -0.301 837 2HB LEU 108 HB1 LEU 108 -23.199 6.106 -1.455 838 HG LEU 108 HG LEU 108 -20.891 5.400 -1.154 839 1HD1 LEU 108 1HD1 LEU 108 -21.820 5.114 -3.232 840 2HD1 LEU 108 3HD1 LEU 108 -21.134 6.653 -3.775 841 3HD1 LEU 108 2HD1 LEU 108 -20.078 5.340 -3.224 842 1HD2 LEU 108 2HD2 LEU 108 -20.206 8.218 -1.794 843 2HD2 LEU 108 1HD2 LEU 108 -20.019 7.288 -0.285 844 3HD2 LEU 108 3HD2 LEU 108 -19.077 6.818 -1.694 845 H GLU 109 HN GLU 109 -24.088 6.502 -3.704 846 HA GLU 109 HA GLU 109 -26.709 7.590 -3.642 847 1HB GLU 109 HB2 GLU 109 -25.782 4.865 -4.509 848 2HB GLU 109 HB1 GLU 109 -27.358 5.567 -4.874 849 1HG GLU 109 HG2 GLU 109 -26.262 7.313 -6.149 850 2HG GLU 109 HG1 GLU 109 -24.691 6.612 -5.763 851 H SER 110 HN SER 110 -26.219 4.162 -2.853 852 HA SER 110 HA SER 110 -27.009 4.581 -0.110 853 1HB SER 110 HB2 SER 110 -28.779 2.942 -1.952 854 2HB SER 110 HB1 SER 110 -28.952 3.072 -0.203 855 HG SER 110 HG SER 110 -28.849 5.508 -1.237 856 H HIS 111 HN HIS 111 -27.200 1.793 -2.319 857 HA HIS 111 HA HIS 111 -26.164 0.030 -0.359 858 1HB HIS 111 HB2 HIS 111 -26.545 -0.446 -3.318 859 2HB HIS 111 HB1 HIS 111 -26.295 -1.693 -2.102 860 HD1 HIS 111 HD1 HIS 111 -28.944 0.415 -3.659 861 HD2 HIS 111 HD2 HIS 111 -28.512 -2.118 -0.394 862 HE1 HIS 111 HE1 HIS 111 -31.260 -0.086 -2.863 863 H MET 112 HN MET 112 -24.757 1.815 -2.836 864 HA MET 112 HA MET 112 -22.306 0.554 -3.166 865 1HB MET 112 HB2 MET 112 -23.115 3.430 -3.114 866 2HB MET 112 HB1 MET 112 -21.433 2.990 -3.355 867 1HG MET 112 HG2 MET 112 -23.699 2.044 -5.099 868 2HG MET 112 HG1 MET 112 -22.725 3.473 -5.437 869 1HE MET 112 HE3 MET 112 -20.155 3.419 -5.687 870 2HE MET 112 HE2 MET 112 -19.834 2.346 -4.331 871 3HE MET 112 HE1 MET 112 -19.163 1.968 -5.915 872 H GLN 113 HN GLN 113 -23.062 3.050 -0.734 873 HA GLN 113 HA GLN 113 -20.545 2.648 0.408 874 1HB GLN 113 HB2 GLN 113 -21.410 4.070 2.298 875 2HB GLN 113 HB1 GLN 113 -21.282 4.808 0.705 876 1HG GLN 113 HG2 GLN 113 -23.482 5.234 0.645 877 2HG GLN 113 HG1 GLN 113 -23.785 3.622 1.322 878 1HE2 GLN 113 1HE2 GLN 113 -24.225 6.645 1.870 879 2HE2 GLN 113 2HE2 GLN 113 -24.376 6.662 3.601 880 H LYS 114 HN LYS 114 -23.769 1.527 1.017 881 HA LYS 114 HA LYS 114 -23.199 0.534 3.584 882 1HB LYS 114 HB2 LYS 114 -25.488 -0.152 1.749 883 2HB LYS 114 HB1 LYS 114 -25.367 -0.660 3.435 884 1HG LYS 114 HG2 LYS 114 -25.175 1.770 4.044 885 2HG LYS 114 HG1 LYS 114 -25.571 2.146 2.375 886 1HD LYS 114 HD2 LYS 114 -27.286 0.563 4.266 887 2HD LYS 114 HD1 LYS 114 -27.495 2.273 3.903 888 1HE LYS 114 HE2 LYS 114 -27.873 1.653 1.524 889 2HE LYS 114 HE1 LYS 114 -27.793 -0.046 1.994 890 1HZ LYS 114 HZ2 LYS 114 -29.691 0.340 3.483 891 2HZ LYS 114 HZ1 LYS 114 -29.751 1.941 2.999 892 3HZ LYS 114 HZ3 LYS 114 -30.081 0.728 1.883 893 H ASN 115 HN ASN 115 -22.764 -0.835 0.396 894 HA ASN 115 HA ASN 115 -22.265 -3.478 1.301 895 1HB ASN 115 HB2 ASN 115 -21.506 -1.976 -1.202 896 2HB ASN 115 HB1 ASN 115 -20.796 -3.550 -0.873 897 1HD2 ASN 115 1HD2 ASN 115 -22.441 -2.788 -3.057 898 2HD2 ASN 115 2HD2 ASN 115 -23.866 -3.750 -3.010 899 H LEU 116 HN LEU 116 -20.377 -0.615 0.862 900 HA LEU 116 HA LEU 116 -17.846 -1.740 1.478 901 1HB LEU 116 HB2 LEU 116 -18.745 1.113 1.858 902 2HB LEU 116 HB1 LEU 116 -17.104 0.493 1.696 903 HG LEU 116 HG LEU 116 -19.123 0.354 -0.559 904 1HD1 LEU 116 1HD1 LEU 116 -18.695 2.673 0.136 905 2HD1 LEU 116 3HD1 LEU 116 -16.976 2.409 -0.186 906 3HD1 LEU 116 2HD1 LEU 116 -18.165 2.262 -1.480 907 1HD2 LEU 116 2HD2 LEU 116 -17.237 -1.234 -0.645 908 2HD2 LEU 116 1HD2 LEU 116 -17.147 -0.009 -1.913 909 3HD2 LEU 116 3HD2 LEU 116 -16.116 0.116 -0.486 910 H LEU 117 HN LEU 117 -20.459 -0.381 3.386 911 HA LEU 117 HA LEU 117 -19.173 -0.156 5.852 912 1HB LEU 117 HB2 LEU 117 -22.076 -0.708 5.310 913 2HB LEU 117 HB1 LEU 117 -21.418 -0.230 6.858 914 HG LEU 117 HG LEU 117 -21.596 1.409 4.348 915 1HD1 LEU 117 3HD1 LEU 117 -23.657 1.229 5.608 916 2HD1 LEU 117 2HD1 LEU 117 -22.821 1.761 7.067 917 3HD1 LEU 117 1HD1 LEU 117 -22.993 2.860 5.700 918 1HD2 LEU 117 2HD2 LEU 117 -20.259 2.077 6.954 919 2HD2 LEU 117 1HD2 LEU 117 -19.509 1.853 5.358 920 3HD2 LEU 117 3HD2 LEU 117 -20.599 3.214 5.630 921 H LYS 118 HN LYS 118 -21.038 -2.920 4.542 922 HA LYS 118 HA LYS 118 -20.252 -4.331 6.975 923 1HB LYS 118 HB2 LYS 118 -21.621 -6.167 6.452 924 2HB LYS 118 HB1 LYS 118 -22.551 -4.758 6.001 925 1HG LYS 118 HG2 LYS 118 -20.927 -6.241 3.997 926 2HG LYS 118 HG1 LYS 118 -22.507 -6.831 4.504 927 1HD LYS 118 HD2 LYS 118 -22.099 -4.036 3.479 928 2HD LYS 118 HD1 LYS 118 -22.331 -5.385 2.372 929 1HE LYS 118 HE2 LYS 118 -24.443 -4.263 2.734 930 2HE LYS 118 HE1 LYS 118 -24.499 -5.864 3.455 931 1HZ LYS 118 HZ3 LYS 118 -24.113 -3.309 4.939 932 2HZ LYS 118 HZ2 LYS 118 -25.530 -4.202 4.834 933 3HZ LYS 118 HZ1 LYS 118 -24.225 -4.838 5.641 934 H GLY 119 HN GLY 119 -19.092 -3.954 3.832 935 1HA GLY 119 HA1 GLY 119 -17.069 -5.916 4.521 936 2HA GLY 119 HA2 GLY 119 -16.837 -4.515 3.475 937 H ILE 120 HN ILE 120 -16.455 -5.246 1.592 938 HA ILE 120 HA ILE 120 -18.393 -6.623 0.040 939 HB ILE 120 HB ILE 120 -15.437 -6.273 -0.623 940 1HG1 ILE 120 2HG1 ILE 120 -16.255 -4.093 0.033 941 2HG1 ILE 120 1HG1 ILE 120 -16.101 -4.133 -1.719 942 1HG2 ILE 120 1HG2 ILE 120 -17.881 -6.431 -2.383 943 2HG2 ILE 120 3HG2 ILE 120 -16.228 -6.193 -2.946 944 3HG2 ILE 120 2HG2 ILE 120 -16.683 -7.713 -2.167 945 1HD1 ILE 120 2HD1 ILE 120 -18.533 -4.594 -1.840 946 2HD1 ILE 120 1HD1 ILE 120 -18.598 -4.365 -0.092 947 3HD1 ILE 120 3HD1 ILE 120 -18.144 -3.011 -1.140 948 HA PRO 121 HA PRO 121 -17.076 -10.658 1.393 949 1HB PRO 121 HB2 PRO 121 -18.595 -12.197 -0.135 950 2HB PRO 121 HB1 PRO 121 -19.311 -11.143 1.098 951 1HG PRO 121 HG2 PRO 121 -19.089 -10.729 -1.861 952 2HG PRO 121 HG1 PRO 121 -20.473 -10.422 -0.799 953 1HD PRO 121 HD2 PRO 121 -18.731 -8.480 -1.642 954 2HD PRO 121 HD1 PRO 121 -19.669 -8.388 -0.140 955 H PHE 122 HN PHE 122 -15.795 -9.381 -1.297 956 HA PHE 122 HA PHE 122 -13.967 -11.458 -1.828 957 1HB PHE 122 HB2 PHE 122 -16.013 -12.522 -2.882 958 2HB PHE 122 HB1 PHE 122 -16.030 -11.204 -4.042 959 HD1 PHE 122 HD1 PHE 122 -13.993 -14.038 -2.804 960 HD2 PHE 122 HD2 PHE 122 -14.697 -11.297 -5.983 961 HE1 PHE 122 HE1 PHE 122 -12.452 -15.310 -4.238 962 HE2 PHE 122 HE2 PHE 122 -13.160 -12.565 -7.420 963 HZ PHE 122 HZ PHE 122 -12.037 -14.571 -6.551 964 H ARG 123 HN ARG 123 -12.287 -10.808 -3.256 965 HA ARG 123 HA ARG 123 -12.589 -8.327 -4.755 966 1HB ARG 123 HB2 ARG 123 -10.496 -8.710 -2.608 967 2HB ARG 123 HB1 ARG 123 -10.445 -7.454 -3.826 968 1HG ARG 123 HG2 ARG 123 -12.331 -6.371 -2.902 969 2HG ARG 123 HG1 ARG 123 -12.678 -7.743 -1.846 970 1HD ARG 123 HD2 ARG 123 -11.616 -6.135 -0.470 971 2HD ARG 123 HD1 ARG 123 -10.447 -7.377 -0.793 972 HE ARG 123 HE ARG 123 -10.208 -5.257 -2.647 973 1HH1 ARG 123 1HH1 ARG 123 -9.362 -6.242 0.681 974 2HH1 ARG 123 2HH1 ARG 123 -8.032 -5.208 0.808 975 1HH2 ARG 123 1HH2 ARG 123 -8.370 -3.703 -2.377 976 2HH2 ARG 123 2HH2 ARG 123 -7.522 -3.717 -0.911 977 H THR 124 HN THR 124 -11.352 -8.336 -6.513 978 HA THR 124 HA THR 124 -8.931 -9.950 -6.586 979 HB THR 124 HB THR 124 -10.679 -9.374 -9.020 980 HG1 THR 124 HG1 THR 124 -11.928 -10.633 -7.784 981 1HG2 THR 124 3HG2 THR 124 -8.493 -11.408 -8.508 982 2HG2 THR 124 2HG2 THR 124 -9.406 -11.242 -10.010 983 3HG2 THR 124 1HG2 THR 124 -8.349 -9.935 -9.468 984 H LYS 125 HN LYS 125 -7.394 -8.756 -8.283 985 HA LYS 125 HA LYS 125 -7.102 -6.230 -7.222 986 1HB LYS 125 HB2 LYS 125 -5.223 -5.950 -8.688 987 2HB LYS 125 HB1 LYS 125 -5.230 -7.552 -7.994 988 1HG LYS 125 HG2 LYS 125 -4.627 -8.047 -10.144 989 2HG LYS 125 HG1 LYS 125 -6.379 -8.186 -10.278 990 1HD LYS 125 HD2 LYS 125 -5.526 -6.928 -12.178 991 2HD LYS 125 HD1 LYS 125 -6.452 -5.844 -11.136 992 1HE LYS 125 HE2 LYS 125 -4.374 -5.033 -10.125 993 2HE LYS 125 HE1 LYS 125 -3.452 -6.140 -11.131 994 1HZ LYS 125 HZ2 LYS 125 -4.263 -4.886 -13.064 995 2HZ LYS 125 HZ1 LYS 125 -5.076 -3.822 -12.004 996 3HZ LYS 125 HZ3 LYS 125 -3.384 -3.955 -11.949 997 H ALA 126 HN ALA 126 -8.683 -7.177 -10.227 998 HA ALA 126 HA ALA 126 -8.628 -4.538 -11.335 999 1HB ALA 126 HB2 ALA 126 -10.219 -6.966 -12.106 1000 2HB ALA 126 HB1 ALA 126 -10.005 -5.519 -13.100 1001 3HB ALA 126 HB3 ALA 126 -8.624 -6.561 -12.721 1002 H GLU 127 HN GLU 127 -10.687 -6.482 -9.422 1003 HA GLU 127 HA GLU 127 -13.051 -4.901 -9.733 1004 1HB GLU 127 HB2 GLU 127 -12.489 -6.787 -7.464 1005 2HB GLU 127 HB1 GLU 127 -14.036 -6.398 -8.211 1006 1HG GLU 127 HG2 GLU 127 -13.126 -7.477 -10.329 1007 2HG GLU 127 HG1 GLU 127 -11.793 -7.969 -9.354 1008 H PHE 128 HN PHE 128 -10.419 -5.206 -7.447 1009 HA PHE 128 HA PHE 128 -11.227 -3.378 -5.484 1010 1HB PHE 128 HB2 PHE 128 -9.316 -4.587 -4.876 1011 2HB PHE 128 HB1 PHE 128 -8.559 -4.371 -6.451 1012 HD1 PHE 128 HD1 PHE 128 -7.068 -2.614 -6.850 1013 HD2 PHE 128 HD2 PHE 128 -9.412 -2.610 -3.311 1014 HE1 PHE 128 HE1 PHE 128 -5.756 -0.707 -5.999 1015 HE2 PHE 128 HE2 PHE 128 -8.113 -0.702 -2.447 1016 HZ PHE 128 HZ PHE 128 -6.292 0.258 -3.798 1017 H GLU 129 HN GLU 129 -9.237 -2.820 -8.386 1018 HA GLU 129 HA GLU 129 -9.244 -0.074 -7.812 1019 1HB GLU 129 HB2 GLU 129 -8.135 0.204 -10.024 1020 2HB GLU 129 HB1 GLU 129 -7.333 -0.907 -8.934 1021 1HG GLU 129 HG2 GLU 129 -8.343 -2.778 -10.168 1022 2HG GLU 129 HG1 GLU 129 -9.034 -1.622 -11.302 1023 H ASP 130 HN ASP 130 -11.422 -2.079 -9.407 1024 HA ASP 130 HA ASP 130 -12.761 -0.090 -11.000 1025 1HB ASP 130 HB2 ASP 130 -12.945 -2.597 -11.287 1026 2HB ASP 130 HB1 ASP 130 -13.948 -2.606 -9.861 1027 H VAL 131 HN VAL 131 -13.265 -1.453 -7.800 1028 HA VAL 131 HA VAL 131 -15.462 0.311 -7.298 1029 HB VAL 131 HB VAL 131 -15.425 -1.855 -6.100 1030 1HG1 VAL 131 1HG1 VAL 131 -13.069 -2.171 -5.889 1031 2HG1 VAL 131 3HG1 VAL 131 -12.979 -0.875 -4.700 1032 3HG1 VAL 131 2HG1 VAL 131 -13.879 -2.350 -4.329 1033 1HG2 VAL 131 2HG2 VAL 131 -15.112 0.444 -4.208 1034 2HG2 VAL 131 1HG2 VAL 131 -16.614 -0.050 -5.006 1035 3HG2 VAL 131 3HG2 VAL 131 -15.836 -1.118 -3.824 1036 H ILE 132 HN ILE 132 -12.032 0.328 -6.560 1037 HA ILE 132 HA ILE 132 -12.121 2.634 -4.964 1038 HB ILE 132 HB ILE 132 -10.026 0.896 -6.016 1039 1HG1 ILE 132 2HG1 ILE 132 -9.048 1.267 -3.798 1040 2HG1 ILE 132 1HG1 ILE 132 -10.207 2.551 -3.496 1041 1HG2 ILE 132 3HG2 ILE 132 -9.228 2.915 -7.110 1042 2HG2 ILE 132 2HG2 ILE 132 -9.254 3.772 -5.573 1043 3HG2 ILE 132 1HG2 ILE 132 -8.136 2.425 -5.808 1044 1HD1 ILE 132 2HD1 ILE 132 -12.025 0.909 -3.616 1045 2HD1 ILE 132 1HD1 ILE 132 -10.847 -0.364 -3.909 1046 3HD1 ILE 132 3HD1 ILE 132 -10.848 0.494 -2.364 1047 H GLU 133 HN GLU 133 -11.810 2.280 -8.430 1048 HA GLU 133 HA GLU 133 -11.175 4.984 -8.827 1049 1HB GLU 133 HB2 GLU 133 -11.728 4.668 -11.158 1050 2HB GLU 133 HB1 GLU 133 -10.777 3.327 -10.557 1051 1HG GLU 133 HG2 GLU 133 -12.805 2.004 -10.317 1052 2HG GLU 133 HG1 GLU 133 -13.718 3.361 -10.987 1053 H HIS 134 HN HIS 134 -14.078 3.329 -8.158 1054 HA HIS 134 HA HIS 134 -15.897 5.421 -8.923 1055 1HB HIS 134 HB2 HIS 134 -16.289 2.835 -8.674 1056 2HB HIS 134 HB1 HIS 134 -16.472 3.196 -6.970 1057 HD1 HIS 134 HD1 HIS 134 -18.732 2.081 -8.961 1058 HD2 HIS 134 HD2 HIS 134 -18.326 5.977 -7.570 1059 HE1 HIS 134 HE1 HIS 134 -21.020 3.145 -9.153 1060 H MET 135 HN MET 135 -14.268 4.300 -6.080 1061 HA MET 135 HA MET 135 -15.415 6.013 -4.125 1062 1HB MET 135 HB2 MET 135 -12.632 4.838 -4.138 1063 2HB MET 135 HB1 MET 135 -13.444 5.527 -2.754 1064 1HG MET 135 HG2 MET 135 -14.266 3.010 -4.205 1065 2HG MET 135 HG1 MET 135 -13.360 3.075 -2.705 1066 1HE MET 135 HE3 MET 135 -16.775 2.837 -4.360 1067 2HE MET 135 HE2 MET 135 -17.892 3.573 -3.223 1068 3HE MET 135 HE1 MET 135 -16.830 4.595 -4.201 1069 H LYS 136 HN LYS 136 -12.524 6.307 -6.142 1070 HA LYS 136 HA LYS 136 -11.791 8.850 -5.049 1071 1HB LYS 136 HB2 LYS 136 -10.063 9.006 -6.797 1072 2HB LYS 136 HB1 LYS 136 -10.039 7.432 -6.022 1073 1HG LYS 136 HG2 LYS 136 -11.324 6.550 -7.907 1074 2HG LYS 136 HG1 LYS 136 -11.198 8.100 -8.708 1075 1HD LYS 136 HD2 LYS 136 -9.483 6.532 -9.562 1076 2HD LYS 136 HD1 LYS 136 -8.748 7.925 -8.773 1077 1HE LYS 136 HE2 LYS 136 -8.272 6.651 -6.812 1078 2HE LYS 136 HE1 LYS 136 -9.213 5.284 -7.390 1079 1HZ LYS 136 HZ3 LYS 136 -6.705 6.306 -8.669 1080 2HZ LYS 136 HZ2 LYS 136 -6.744 5.017 -7.631 1081 3HZ LYS 136 HZ1 LYS 136 -7.523 4.914 -9.118 1082 H THR 137 HN THR 137 -14.034 7.829 -7.277 1083 HA THR 137 HA THR 137 -14.267 10.088 -8.876 1084 HB THR 137 HB THR 137 -15.412 7.530 -8.327 1085 HG1 THR 137 HG1 THR 137 -14.364 7.619 -10.061 1086 1HG2 THR 137 3HG2 THR 137 -17.395 9.640 -9.115 1087 2HG2 THR 137 2HG2 THR 137 -17.599 7.854 -9.335 1088 3HG2 THR 137 1HG2 THR 137 -17.270 8.529 -7.730 1089 H TYR 138 HN TYR 138 -15.310 9.187 -5.609 1090 HA TYR 138 HA TYR 138 -16.913 11.581 -5.406 1091 1HB TYR 138 HB2 TYR 138 -16.328 9.357 -3.407 1092 2HB TYR 138 HB1 TYR 138 -17.398 10.719 -3.089 1093 HD1 TYR 138 HD1 TYR 138 -17.275 7.338 -4.262 1094 HD2 TYR 138 HD2 TYR 138 -19.312 11.038 -4.787 1095 HE1 TYR 138 HE1 TYR 138 -19.063 6.182 -5.376 1096 HE2 TYR 138 HE2 TYR 138 -21.184 9.821 -5.893 1097 HH TYR 138 HH TYR 138 -21.305 6.366 -5.958 1098 H SER 139 HN SER 139 -14.285 9.995 -3.623 1099 HA SER 139 HA SER 139 -12.471 10.722 -2.446 1100 1HB SER 139 HB2 SER 139 -11.919 11.237 -4.884 1101 2HB SER 139 HB1 SER 139 -12.340 12.908 -4.491 1102 HG SER 139 HG SER 139 -10.683 12.823 -2.870 1103 H GLY 140 HN GLY 140 -15.199 12.070 -1.850 1104 1HA GLY 140 HA1 GLY 140 -14.654 14.702 -1.128 1105 2HA GLY 140 HA2 GLY 140 -14.725 13.557 0.236 No H/Q in entry = 1105 Start of MODEL 23 1 H1 ALA 1 HT2 ALA 1 27.869 7.108 -6.753 2 H2 ALA 1 HT1 ALA 1 26.820 8.377 -6.410 3 H3 ALA 1 HT3 ALA 1 28.459 8.673 -6.599 4 HA ALA 1 HA ALA 1 27.934 8.821 -4.315 5 1HB ALA 1 HB3 ALA 1 25.969 7.367 -4.314 6 2HB ALA 1 HB2 ALA 1 27.008 5.962 -4.571 7 3HB ALA 1 HB1 ALA 1 27.125 6.883 -3.076 8 H GLU 2 HN GLU 2 29.378 7.908 -2.604 9 HA GLU 2 HA GLU 2 31.622 6.488 -3.838 10 1HB GLU 2 HB2 GLU 2 33.097 7.690 -2.274 11 2HB GLU 2 HB1 GLU 2 32.246 8.749 -3.388 12 1HG GLU 2 HG2 GLU 2 30.653 9.300 -1.599 13 2HG GLU 2 HG1 GLU 2 31.580 8.286 -0.494 14 H VAL 3 HN VAL 3 33.154 5.645 -1.899 15 HA VAL 3 HA VAL 3 31.470 4.232 0.042 16 HB VAL 3 HB VAL 3 33.731 2.761 -1.204 17 1HG1 VAL 3 2HG1 VAL 3 31.081 1.845 -0.143 18 2HG1 VAL 3 1HG1 VAL 3 32.315 0.783 -0.812 19 3HG1 VAL 3 3HG1 VAL 3 32.658 1.723 0.640 20 1HG2 VAL 3 3HG2 VAL 3 31.064 2.967 -2.591 21 2HG2 VAL 3 2HG2 VAL 3 32.619 3.518 -3.203 22 3HG2 VAL 3 1HG2 VAL 3 32.322 1.794 -2.989 23 H GLU 4 HN GLU 4 32.957 3.180 1.670 24 HA GLU 4 HA GLU 4 35.334 4.823 2.202 25 1HB GLU 4 HB2 GLU 4 33.555 3.285 4.096 26 2HB GLU 4 HB1 GLU 4 34.927 4.279 4.547 27 1HG GLU 4 HG2 GLU 4 33.785 6.265 3.881 28 2HG GLU 4 HG1 GLU 4 32.464 5.324 3.185 29 H HIS 5 HN HIS 5 37.214 3.704 2.470 30 HA HIS 5 HA HIS 5 38.765 2.050 2.542 31 1HB HIS 5 HB2 HIS 5 36.559 0.403 3.770 32 2HB HIS 5 HB1 HIS 5 38.264 0.028 3.814 33 HD1 HIS 5 HD1 HIS 5 35.729 1.413 5.937 34 HD2 HIS 5 HD2 HIS 5 39.743 2.214 5.216 35 HE1 HIS 5 HE1 HIS 5 36.556 2.663 7.943 36 H TYR 6 HN TYR 6 38.780 -0.636 2.176 37 HA TYR 6 HA TYR 6 37.941 -0.975 -0.588 38 1HB TYR 6 HB2 TYR 6 39.548 -2.686 1.308 39 2HB TYR 6 HB1 TYR 6 39.247 -3.082 -0.371 40 HD1 TYR 6 HD1 TYR 6 40.958 -2.656 -1.835 41 HD2 TYR 6 HD2 TYR 6 40.604 -0.195 1.603 42 HE1 TYR 6 HE1 TYR 6 42.990 -1.453 -2.509 43 HE2 TYR 6 HE2 TYR 6 42.659 1.032 0.941 44 HH TYR 6 HH TYR 6 44.052 0.638 -2.179 45 H GLU 7 HN GLU 7 36.909 -1.456 2.460 46 HA GLU 7 HA GLU 7 35.607 -3.950 2.473 47 1HB GLU 7 HB2 GLU 7 34.880 -1.454 4.012 48 2HB GLU 7 HB1 GLU 7 34.424 -3.097 4.427 49 1HG GLU 7 HG2 GLU 7 37.185 -1.902 4.485 50 2HG GLU 7 HG1 GLU 7 36.178 -2.282 5.875 51 HA PRO 8 HA PRO 8 31.832 -2.763 0.260 52 1HB PRO 8 HB2 PRO 8 30.316 -4.635 1.909 53 2HB PRO 8 HB1 PRO 8 30.691 -4.750 0.186 54 1HG PRO 8 HG2 PRO 8 31.785 -6.415 1.993 55 2HG PRO 8 HG1 PRO 8 32.682 -5.861 0.569 56 1HD PRO 8 HD2 PRO 8 32.810 -4.849 3.387 57 2HD PRO 8 HD1 PRO 8 34.138 -5.234 2.265 58 H LEU 9 HN LEU 9 29.350 -2.550 1.027 59 HA LEU 9 HA LEU 9 29.353 -0.755 3.388 60 1HB LEU 9 HB2 LEU 9 28.738 -0.112 0.684 61 2HB LEU 9 HB1 LEU 9 27.240 -0.437 1.431 62 HG LEU 9 HG LEU 9 27.769 1.982 1.471 63 1HD1 LEU 9 3HD1 LEU 9 27.404 0.683 4.158 64 2HD1 LEU 9 2HD1 LEU 9 27.067 2.371 3.783 65 3HD1 LEU 9 1HD1 LEU 9 26.132 1.092 3.009 66 1HD2 LEU 9 2HD2 LEU 9 30.181 1.815 1.904 67 2HD2 LEU 9 1HD2 LEU 9 29.366 2.832 3.097 68 3HD2 LEU 9 3HD2 LEU 9 29.832 1.187 3.517 69 H GLN 10 HN GLN 10 28.049 -1.523 4.984 70 HA GLN 10 HA GLN 10 26.103 -3.563 4.348 71 1HB GLN 10 HB2 GLN 10 27.218 -2.518 6.915 72 2HB GLN 10 HB1 GLN 10 25.832 -3.599 6.877 73 1HG GLN 10 HG2 GLN 10 27.207 -5.221 5.674 74 2HG GLN 10 HG1 GLN 10 28.585 -4.128 5.819 75 1HE2 GLN 10 1HE2 GLN 10 29.708 -5.652 6.936 76 2HE2 GLN 10 2HE2 GLN 10 29.388 -6.013 8.596 77 H VAL 11 HN VAL 11 24.266 -2.940 3.722 78 HA VAL 11 HA VAL 11 23.072 -0.453 4.774 79 HB VAL 11 HB VAL 11 22.092 -1.909 2.375 80 1HG1 VAL 11 2HG1 VAL 11 20.723 -0.172 3.181 81 2HG1 VAL 11 1HG1 VAL 11 22.055 0.986 3.108 82 3HG1 VAL 11 3HG1 VAL 11 21.402 0.290 1.620 83 1HG2 VAL 11 1HG2 VAL 11 24.446 -0.009 2.304 84 2HG2 VAL 11 3HG2 VAL 11 24.430 -1.730 1.893 85 3HG2 VAL 11 2HG2 VAL 11 23.546 -0.586 0.891 86 H HIS 12 HN HIS 12 21.247 -0.710 5.974 87 HA HIS 12 HA HIS 12 19.835 -3.254 5.863 88 1HB HIS 12 HB2 HIS 12 20.374 -2.331 8.123 89 2HB HIS 12 HB1 HIS 12 19.479 -0.873 7.734 90 HD1 HIS 12 HD1 HIS 12 17.332 -0.924 9.055 91 HD2 HIS 12 HD2 HIS 12 18.359 -4.673 7.584 92 HE1 HIS 12 HE1 HIS 12 15.486 -2.473 9.745 93 H VAL 13 HN VAL 13 18.593 -3.286 4.251 94 HA VAL 13 HA VAL 13 17.358 -0.878 3.066 95 HB VAL 13 HB VAL 13 17.403 -3.639 1.931 96 1HG1 VAL 13 1HG1 VAL 13 17.343 -0.928 0.657 97 2HG1 VAL 13 3HG1 VAL 13 17.383 -2.472 -0.197 98 3HG1 VAL 13 2HG1 VAL 13 16.004 -2.070 0.827 99 1HG2 VAL 13 1HG2 VAL 13 19.714 -3.202 2.516 100 2HG2 VAL 13 3HG2 VAL 13 19.489 -3.165 0.770 101 3HG2 VAL 13 2HG2 VAL 13 19.656 -1.656 1.672 102 H GLN 14 HN GLN 14 15.398 -0.542 3.701 103 HA GLN 14 HA GLN 14 13.696 -2.812 4.303 104 1HB GLN 14 HB2 GLN 14 13.600 -1.026 5.913 105 2HB GLN 14 HB1 GLN 14 13.255 0.165 4.662 106 1HG GLN 14 HG2 GLN 14 11.093 -0.870 4.270 107 2HG GLN 14 HG1 GLN 14 11.459 -2.125 5.448 108 1HE2 GLN 14 1HE2 GLN 14 9.325 -0.121 5.339 109 2HE2 GLN 14 2HE2 GLN 14 9.409 0.740 6.819 110 H LEU 15 HN LEU 15 12.654 -3.650 2.734 111 HA LEU 15 HA LEU 15 12.144 -2.067 0.334 112 1HB LEU 15 HB2 LEU 15 12.185 -5.056 0.760 113 2HB LEU 15 HB1 LEU 15 11.839 -4.266 -0.761 114 HG LEU 15 HG LEU 15 14.462 -4.223 0.718 115 1HD1 LEU 15 3HD1 LEU 15 13.559 -5.667 -1.753 116 2HD1 LEU 15 2HD1 LEU 15 15.235 -5.533 -1.243 117 3HD1 LEU 15 1HD1 LEU 15 14.061 -6.382 -0.223 118 1HD2 LEU 15 3HD2 LEU 15 13.714 -3.064 -1.965 119 2HD2 LEU 15 2HD2 LEU 15 14.131 -2.149 -0.516 120 3HD2 LEU 15 1HD2 LEU 15 15.347 -3.151 -1.308 121 H GLU 16 HN GLU 16 10.225 -1.164 0.538 122 HA GLU 16 HA GLU 16 8.058 -2.656 1.798 123 1HB GLU 16 HB2 GLU 16 8.076 0.141 0.662 124 2HB GLU 16 HB1 GLU 16 6.750 -0.599 1.534 125 1HG GLU 16 HG2 GLU 16 8.155 -0.705 3.535 126 2HG GLU 16 HG1 GLU 16 9.452 0.102 2.643 127 H LYS 17 HN LYS 17 6.334 -3.331 0.646 128 HA LYS 17 HA LYS 17 6.451 -2.930 -2.266 129 1HB LYS 17 HB2 LYS 17 5.383 -5.315 -0.732 130 2HB LYS 17 HB1 LYS 17 5.284 -5.109 -2.469 131 1HG LYS 17 HG2 LYS 17 7.722 -5.185 -2.617 132 2HG LYS 17 HG1 LYS 17 7.794 -5.375 -0.856 133 1HD LYS 17 HD2 LYS 17 6.646 -7.485 -0.989 134 2HD LYS 17 HD1 LYS 17 6.382 -7.277 -2.719 135 1HE LYS 17 HE2 LYS 17 8.784 -7.377 -3.114 136 2HE LYS 17 HE1 LYS 17 9.076 -7.526 -1.385 137 1HZ LYS 17 HZ2 LYS 17 7.521 -9.501 -2.986 138 2HZ LYS 17 HZ1 LYS 17 9.141 -9.679 -2.564 139 3HZ LYS 17 HZ3 LYS 17 7.967 -9.629 -1.373 140 H VAL 18 HN VAL 18 4.959 -1.340 -2.590 141 HA VAL 18 HA VAL 18 2.625 -1.372 -0.844 142 HB VAL 18 HB VAL 18 3.418 0.689 -2.927 143 1HG1 VAL 18 2HG1 VAL 18 1.016 0.674 -2.474 144 2HG1 VAL 18 1HG1 VAL 18 1.329 0.809 -0.745 145 3HG1 VAL 18 3HG1 VAL 18 1.764 2.134 -1.826 146 1HG2 VAL 18 1HG2 VAL 18 3.757 0.748 0.074 147 2HG2 VAL 18 3HG2 VAL 18 5.051 0.610 -1.119 148 3HG2 VAL 18 2HG2 VAL 18 4.093 2.088 -1.019 149 H TYR 19 HN TYR 19 0.906 -2.379 -1.453 150 HA TYR 19 HA TYR 19 0.717 -3.256 -4.195 151 1HB TYR 19 HB2 TYR 19 -0.781 -4.005 -1.699 152 2HB TYR 19 HB1 TYR 19 -1.088 -4.692 -3.288 153 HD1 TYR 19 HD1 TYR 19 1.483 -4.404 -0.595 154 HD2 TYR 19 HD2 TYR 19 0.223 -6.399 -4.122 155 HE1 TYR 19 HE1 TYR 19 3.203 -6.141 -0.231 156 HE2 TYR 19 HE2 TYR 19 1.919 -8.131 -3.765 157 HH TYR 19 HH TYR 19 3.523 -8.552 -0.885 158 H LEU 20 HN LEU 20 -1.494 -3.323 -5.081 159 HA LEU 20 HA LEU 20 -2.474 -0.718 -5.507 160 1HB LEU 20 HB2 LEU 20 -3.892 -3.322 -5.957 161 2HB LEU 20 HB1 LEU 20 -4.297 -1.786 -6.683 162 HG LEU 20 HG LEU 20 -1.764 -3.333 -7.189 163 1HD1 LEU 20 2HD1 LEU 20 -3.747 -4.427 -7.988 164 2HD1 LEU 20 1HD1 LEU 20 -4.259 -2.965 -8.827 165 3HD1 LEU 20 3HD1 LEU 20 -2.790 -3.813 -9.342 166 1HD2 LEU 20 3HD2 LEU 20 -2.905 -0.861 -8.493 167 2HD2 LEU 20 2HD2 LEU 20 -1.486 -0.921 -7.446 168 3HD2 LEU 20 1HD2 LEU 20 -1.457 -1.728 -9.017 169 H ASP 21 HN ASP 21 -3.478 -3.322 -3.435 170 HA ASP 21 HA ASP 21 -6.016 -2.188 -2.807 171 1HB ASP 21 HB2 ASP 21 -6.274 -3.991 -1.222 172 2HB ASP 21 HB1 ASP 21 -5.751 -4.586 -2.805 173 H GLY 22 HN GLY 22 -2.924 -1.493 -1.549 174 1HA GLY 22 HA1 GLY 22 -4.332 -0.134 0.637 175 2HA GLY 22 HA2 GLY 22 -2.906 0.495 -0.168 176 H ASP 23 HN ASP 23 -2.822 -2.858 0.461 177 HA ASP 23 HA ASP 23 -1.433 -2.409 2.943 178 1HB ASP 23 HB2 ASP 23 -2.874 -4.438 2.756 179 2HB ASP 23 HB1 ASP 23 -1.848 -5.031 1.454 180 H VAL 24 HN VAL 24 0.677 -3.277 3.237 181 HA VAL 24 HA VAL 24 2.352 -3.310 0.914 182 HB VAL 24 HB VAL 24 2.522 -1.012 1.162 183 1HG1 VAL 24 3HG1 VAL 24 2.454 -1.388 4.137 184 2HG1 VAL 24 2HG1 VAL 24 2.570 0.181 3.293 185 3HG1 VAL 24 1HG1 VAL 24 1.151 -0.866 3.070 186 1HG2 VAL 24 1HG2 VAL 24 4.673 -2.033 3.017 187 2HG2 VAL 24 3HG2 VAL 24 4.772 -1.929 1.258 188 3HG2 VAL 24 2HG2 VAL 24 4.663 -0.456 2.226 189 H SER 25 HN SER 25 3.816 -4.724 1.099 190 HA SER 25 HA SER 25 4.148 -6.120 3.623 191 1HB SER 25 HB2 SER 25 3.845 -7.310 1.389 192 2HB SER 25 HB1 SER 25 5.452 -6.726 0.953 193 HG SER 25 HG SER 25 4.654 -8.686 2.709 194 H ILE 26 HN ILE 26 5.881 -5.975 4.874 195 HA ILE 26 HA ILE 26 7.896 -4.008 4.090 196 HB ILE 26 HB ILE 26 7.085 -4.995 6.829 197 1HG1 ILE 26 2HG1 ILE 26 5.370 -3.592 5.823 198 2HG1 ILE 26 1HG1 ILE 26 6.140 -2.748 7.168 199 1HG2 ILE 26 2HG2 ILE 26 9.434 -4.374 6.781 200 2HG2 ILE 26 1HG2 ILE 26 9.019 -2.808 6.077 201 3HG2 ILE 26 3HG2 ILE 26 8.498 -3.204 7.715 202 1HD1 ILE 26 3HD1 ILE 26 7.453 -1.457 5.548 203 2HD1 ILE 26 2HD1 ILE 26 6.625 -2.303 4.236 204 3HD1 ILE 26 1HD1 ILE 26 5.712 -1.252 5.318 205 H GLU 27 HN GLU 27 9.713 -4.869 3.418 206 HA GLU 27 HA GLU 27 10.631 -7.361 4.632 207 1HB GLU 27 HB2 GLU 27 10.164 -7.558 2.251 208 2HB GLU 27 HB1 GLU 27 11.167 -6.164 1.911 209 1HG GLU 27 HG2 GLU 27 12.342 -8.194 1.345 210 2HG GLU 27 HG1 GLU 27 13.121 -7.391 2.694 211 H HIS 28 HN HIS 28 12.805 -7.460 5.190 212 HA HIS 28 HA HIS 28 14.266 -4.923 5.356 213 1HB HIS 28 HB2 HIS 28 13.883 -6.882 7.621 214 2HB HIS 28 HB1 HIS 28 15.047 -5.569 7.633 215 HD1 HIS 28 HD1 HIS 28 12.461 -5.996 9.587 216 HD2 HIS 28 HD2 HIS 28 12.912 -3.363 6.445 217 HE1 HIS 28 HE1 HIS 28 10.945 -4.061 10.117 218 H LYS 29 HN LYS 29 16.030 -5.244 4.287 219 HA LYS 29 HA LYS 29 17.334 -7.855 4.428 220 1HB LYS 29 HB2 LYS 29 17.371 -5.770 2.290 221 2HB LYS 29 HB1 LYS 29 18.491 -7.106 2.327 222 1HG LYS 29 HG2 LYS 29 16.137 -8.427 2.439 223 2HG LYS 29 HG1 LYS 29 15.677 -6.984 1.529 224 1HD LYS 29 HD2 LYS 29 18.028 -8.701 0.977 225 2HD LYS 29 HD1 LYS 29 16.513 -8.819 0.057 226 1HE LYS 29 HE2 LYS 29 16.866 -6.455 -0.654 227 2HE LYS 29 HE1 LYS 29 18.385 -6.436 0.231 228 1HZ LYS 29 HZ1 LYS 29 19.202 -8.192 -1.248 229 2HZ LYS 29 HZ3 LYS 29 17.739 -8.144 -2.110 230 3HZ LYS 29 HZ2 LYS 29 18.748 -6.796 -2.084 231 H HIS 30 HN HIS 30 19.499 -7.835 4.638 232 HA HIS 30 HA HIS 30 20.712 -5.224 5.051 233 1HB HIS 30 HB2 HIS 30 22.173 -6.016 6.785 234 2HB HIS 30 HB1 HIS 30 20.524 -6.355 7.295 235 HD1 HIS 30 HD1 HIS 30 23.769 -7.809 7.298 236 HD2 HIS 30 HD2 HIS 30 19.951 -9.301 6.642 237 HE1 HIS 30 HE1 HIS 30 23.940 -10.288 7.592 238 H GLU 31 HN GLU 31 22.011 -4.875 3.371 239 HA GLU 31 HA GLU 31 23.402 -7.266 2.440 240 1HB GLU 31 HB2 GLU 31 23.050 -6.675 0.137 241 2HB GLU 31 HB1 GLU 31 21.528 -6.799 1.006 242 1HG GLU 31 HG2 GLU 31 21.401 -4.378 1.145 243 2HG GLU 31 HG1 GLU 31 22.885 -4.266 0.188 244 H LYS 32 HN LYS 32 25.394 -7.081 1.676 245 HA LYS 32 HA LYS 32 26.669 -4.539 2.132 246 1HB LYS 32 HB2 LYS 32 27.729 -7.280 1.625 247 2HB LYS 32 HB1 LYS 32 28.750 -5.853 1.560 248 1HG LYS 32 HG2 LYS 32 28.124 -5.357 3.871 249 2HG LYS 32 HG1 LYS 32 27.245 -6.856 4.015 250 1HD LYS 32 HD2 LYS 32 30.206 -6.444 3.581 251 2HD LYS 32 HD1 LYS 32 29.408 -7.270 4.918 252 1HE LYS 32 HE2 LYS 32 28.663 -9.029 3.327 253 2HE LYS 32 HE1 LYS 32 29.527 -8.135 2.064 254 1HZ LYS 32 HZ3 LYS 32 30.856 -9.291 4.459 255 2HZ LYS 32 HZ2 LYS 32 30.843 -10.005 2.929 256 3HZ LYS 32 HZ1 LYS 32 31.583 -8.531 3.151 257 H VAL 33 HN VAL 33 27.224 -3.301 0.625 258 HA VAL 33 HA VAL 33 27.072 -4.235 -2.182 259 HB VAL 33 HB VAL 33 26.769 -1.331 -1.327 260 1HG1 VAL 33 2HG1 VAL 33 27.396 -1.841 -3.423 261 2HG1 VAL 33 1HG1 VAL 33 25.887 -2.730 -3.747 262 3HG1 VAL 33 3HG1 VAL 33 25.887 -0.978 -3.345 263 1HG2 VAL 33 1HG2 VAL 33 25.115 -2.750 -0.147 264 2HG2 VAL 33 3HG2 VAL 33 24.513 -1.494 -1.201 265 3HG2 VAL 33 2HG2 VAL 33 24.455 -3.195 -1.743 266 H PHE 34 HN PHE 34 28.947 -3.676 -3.481 267 HA PHE 34 HA PHE 34 31.226 -3.029 -1.908 268 1HB PHE 34 HB2 PHE 34 30.961 -3.386 -4.897 269 2HB PHE 34 HB1 PHE 34 32.474 -3.190 -4.025 270 HD1 PHE 34 HD1 PHE 34 30.703 -5.548 -5.621 271 HD2 PHE 34 HD2 PHE 34 32.355 -4.860 -1.761 272 HE1 PHE 34 HE1 PHE 34 30.784 -7.969 -5.226 273 HE2 PHE 34 HE2 PHE 34 32.454 -7.284 -1.366 274 HZ PHE 34 HZ PHE 34 31.665 -8.845 -3.100 275 H SER 35 HN SER 35 29.111 -1.321 -4.039 276 HA SER 35 HA SER 35 30.301 1.133 -3.050 277 1HB SER 35 HB2 SER 35 31.306 0.821 -5.265 278 2HB SER 35 HB1 SER 35 29.701 0.621 -5.977 279 HG SER 35 HG SER 35 30.699 2.769 -6.101 280 H MET 36 HN MET 36 28.747 2.520 -2.353 281 HA MET 36 HA MET 36 26.016 1.850 -2.318 282 1HB MET 36 HB2 MET 36 27.420 4.454 -1.905 283 2HB MET 36 HB1 MET 36 25.671 4.385 -1.909 284 1HG MET 36 HG2 MET 36 26.635 2.332 -0.228 285 2HG MET 36 HG1 MET 36 27.461 3.886 0.143 286 1HE MET 36 HE3 MET 36 24.008 3.325 -1.361 287 2HE MET 36 HE2 MET 36 23.861 2.114 -0.088 288 3HE MET 36 HE1 MET 36 22.890 3.598 -0.028 289 H ASP 37 HN ASP 37 27.870 3.523 -4.535 290 HA ASP 37 HA ASP 37 26.001 4.904 -6.119 291 1HB ASP 37 HB2 ASP 37 28.450 5.121 -6.304 292 2HB ASP 37 HB1 ASP 37 28.534 3.495 -6.966 293 H ASP 38 HN ASP 38 27.114 1.616 -6.124 294 HA ASP 38 HA ASP 38 25.681 0.733 -8.449 295 1HB ASP 38 HB2 ASP 38 27.826 -0.271 -7.722 296 2HB ASP 38 HB1 ASP 38 27.025 -0.766 -6.233 297 H PHE 39 HN PHE 39 25.287 0.659 -4.935 298 HA PHE 39 HA PHE 39 23.179 -1.035 -4.675 299 1HB PHE 39 HB2 PHE 39 24.335 -0.144 -2.752 300 2HB PHE 39 HB1 PHE 39 23.802 1.482 -3.149 301 HD1 PHE 39 HD1 PHE 39 21.669 2.214 -2.546 302 HD2 PHE 39 HD2 PHE 39 22.759 -1.809 -1.924 303 HE1 PHE 39 HE1 PHE 39 19.693 1.913 -1.117 304 HE2 PHE 39 HE2 PHE 39 20.818 -2.154 -0.473 305 HZ PHE 39 HZ PHE 39 19.254 -0.277 -0.073 306 H TRP 40 HN TRP 40 23.331 2.478 -5.225 307 HA TRP 40 HA TRP 40 20.578 3.030 -5.274 308 1HB TRP 40 HB2 TRP 40 22.817 4.580 -6.606 309 2HB TRP 40 HB1 TRP 40 21.186 5.184 -6.337 310 HD1 TRP 40 HD1 TRP 40 24.391 5.765 -4.964 311 HE1 TRP 40 HE1 TRP 40 24.370 6.293 -2.437 312 HE3 TRP 40 HE3 TRP 40 19.683 4.175 -3.861 313 HZ2 TRP 40 HZ2 TRP 40 22.565 6.088 -0.299 314 HZ3 TRP 40 HZ3 TRP 40 18.888 4.371 -1.561 315 HH2 TRP 40 HH2 TRP 40 20.295 5.303 0.179 316 H ALA 41 HN ALA 41 22.836 2.165 -7.749 317 HA ALA 41 HA ALA 41 20.994 2.529 -9.900 318 1HB ALA 41 HB2 ALA 41 23.511 0.863 -9.827 319 2HB ALA 41 HB1 ALA 41 22.650 1.378 -11.279 320 3HB ALA 41 HB3 ALA 41 23.431 2.575 -10.244 321 H ALA 42 HN ALA 42 21.735 -0.087 -7.746 322 HA ALA 42 HA ALA 42 20.488 -2.146 -9.198 323 1HB ALA 42 HB1 ALA 42 22.102 -2.521 -7.377 324 2HB ALA 42 HB2 ALA 42 20.595 -3.405 -7.107 325 3HB ALA 42 HB3 ALA 42 20.924 -1.911 -6.225 326 H TYR 43 HN TYR 43 19.294 0.038 -6.640 327 HA TYR 43 HA TYR 43 16.559 -1.026 -7.053 328 1HB TYR 43 HB2 TYR 43 17.707 0.567 -4.763 329 2HB TYR 43 HB1 TYR 43 16.066 -0.039 -4.876 330 HD1 TYR 43 HD1 TYR 43 19.546 -0.970 -4.268 331 HD2 TYR 43 HD2 TYR 43 15.566 -2.394 -4.655 332 HE1 TYR 43 HE1 TYR 43 20.228 -3.125 -3.310 333 HE2 TYR 43 HE2 TYR 43 16.232 -4.554 -3.696 334 HH TYR 43 HH TYR 43 19.204 -4.966 -2.155 335 H ALA 44 HN ALA 44 18.229 1.146 -8.526 336 HA ALA 44 HA ALA 44 17.261 3.604 -8.330 337 1HB ALA 44 HB1 ALA 44 18.918 2.885 -9.951 338 2HB ALA 44 HB3 ALA 44 17.653 2.121 -10.912 339 3HB ALA 44 HB2 ALA 44 17.666 3.871 -10.709 340 H GLY 45 HN GLY 45 15.434 0.902 -9.564 341 1HA GLY 45 HA1 GLY 45 13.250 0.717 -10.317 342 2HA GLY 45 HA2 GLY 45 13.315 2.427 -10.716 343 H TRP 46 HN TRP 46 13.694 0.770 -7.578 344 HA TRP 46 HA TRP 46 11.223 1.156 -6.395 345 1HB TRP 46 HB2 TRP 46 13.958 1.228 -5.104 346 2HB TRP 46 HB1 TRP 46 12.429 0.948 -4.290 347 HD1 TRP 46 HD1 TRP 46 14.452 -0.754 -7.130 348 HE1 TRP 46 HE1 TRP 46 14.257 -3.275 -6.840 349 HE3 TRP 46 HE3 TRP 46 11.457 -0.828 -3.013 350 HZ2 TRP 46 HZ2 TRP 46 13.004 -5.089 -5.082 351 HZ3 TRP 46 HZ3 TRP 46 10.810 -3.003 -2.081 352 HH2 TRP 46 HH2 TRP 46 11.574 -5.089 -3.102 353 H THR 47 HN THR 47 10.448 2.826 -4.921 354 HA THR 47 HA THR 47 11.397 5.452 -5.513 355 HB THR 47 HB THR 47 9.196 4.373 -3.752 356 HG1 THR 47 HG1 THR 47 9.404 4.887 -6.461 357 1HG2 THR 47 2HG2 THR 47 9.867 6.618 -3.122 358 2HG2 THR 47 1HG2 THR 47 9.676 7.169 -4.792 359 3HG2 THR 47 3HG2 THR 47 8.264 6.632 -3.867 360 H LEU 48 HN LEU 48 13.074 6.238 -4.317 361 HA LEU 48 HA LEU 48 13.822 5.142 -1.796 362 1HB LEU 48 HB2 LEU 48 15.439 6.118 -3.454 363 2HB LEU 48 HB1 LEU 48 14.743 7.689 -3.166 364 HG LEU 48 HG LEU 48 16.998 7.229 -2.111 365 1HD1 LEU 48 3HD1 LEU 48 15.630 9.089 -1.324 366 2HD1 LEU 48 2HD1 LEU 48 14.857 8.015 -0.152 367 3HD1 LEU 48 1HD1 LEU 48 16.592 8.347 -0.045 368 1HD2 LEU 48 2HD2 LEU 48 15.378 5.518 -0.247 369 2HD2 LEU 48 1HD2 LEU 48 16.655 4.966 -1.344 370 3HD2 LEU 48 3HD2 LEU 48 17.038 6.032 0.011 371 H VAL 49 HN VAL 49 12.822 5.540 -0.021 372 HA VAL 49 HA VAL 49 11.114 7.879 0.144 373 HB VAL 49 HB VAL 49 11.230 5.408 1.915 374 1HG1 VAL 49 2HG1 VAL 49 10.425 7.367 3.147 375 2HG1 VAL 49 1HG1 VAL 49 9.239 7.669 1.879 376 3HG1 VAL 49 3HG1 VAL 49 9.127 6.207 2.857 377 1HG2 VAL 49 3HG2 VAL 49 10.469 4.947 -0.327 378 2HG2 VAL 49 2HG2 VAL 49 9.141 4.826 0.829 379 3HG2 VAL 49 1HG2 VAL 49 9.285 6.245 -0.208 380 H GLU 50 HN GLU 50 13.598 6.198 2.102 381 HA GLU 50 HA GLU 50 14.620 8.759 2.887 382 1HB GLU 50 HB2 GLU 50 14.542 8.239 5.327 383 2HB GLU 50 HB1 GLU 50 12.936 8.514 4.643 384 1HG GLU 50 HG2 GLU 50 12.657 6.099 4.561 385 2HG GLU 50 HG1 GLU 50 14.238 5.899 5.311 386 H GLN 51 HN GLN 51 16.703 8.586 3.671 387 HA GLN 51 HA GLN 51 17.765 5.932 4.032 388 1HB GLN 51 HB2 GLN 51 19.696 6.408 2.639 389 2HB GLN 51 HB1 GLN 51 18.176 6.401 1.742 390 1HG GLN 51 HG2 GLN 51 18.191 8.755 1.553 391 2HG GLN 51 HG1 GLN 51 19.555 8.904 2.666 392 1HE2 GLN 51 1HE2 GLN 51 18.534 7.882 -0.409 393 2HE2 GLN 51 2HE2 GLN 51 20.117 7.747 -1.133 394 H LYS 52 HN LYS 52 19.432 5.795 5.325 395 HA LYS 52 HA LYS 52 20.835 8.112 6.205 396 1HB LYS 52 HB2 LYS 52 20.585 7.186 8.606 397 2HB LYS 52 HB1 LYS 52 19.228 8.074 7.940 398 1HG LYS 52 HG2 LYS 52 18.390 5.739 7.238 399 2HG LYS 52 HG1 LYS 52 19.453 5.117 8.494 400 1HD LYS 52 HD2 LYS 52 17.383 5.409 9.562 401 2HD LYS 52 HD1 LYS 52 18.290 6.858 10.004 402 1HE LYS 52 HE2 LYS 52 17.250 8.072 8.154 403 2HE LYS 52 HE1 LYS 52 16.363 6.612 7.732 404 1HZ LYS 52 HZ2 LYS 52 15.230 6.734 9.873 405 2HZ LYS 52 HZ1 LYS 52 16.078 8.145 10.262 406 3HZ LYS 52 HZ3 LYS 52 14.969 8.128 8.985 407 H LYS 53 HN LYS 53 22.771 7.115 7.663 408 HA LYS 53 HA LYS 53 24.146 5.823 5.599 409 1HB LYS 53 HB2 LYS 53 25.226 7.408 7.101 410 2HB LYS 53 HB1 LYS 53 25.089 6.262 8.426 411 1HG LYS 53 HG2 LYS 53 27.348 6.339 7.463 412 2HG LYS 53 HG1 LYS 53 26.603 4.744 7.309 413 1HD LYS 53 HD2 LYS 53 25.996 5.240 4.997 414 2HD LYS 53 HD1 LYS 53 26.720 6.845 5.138 415 1HE LYS 53 HE2 LYS 53 28.162 4.214 5.425 416 2HE LYS 53 HE1 LYS 53 28.181 5.243 3.994 417 1HZ LYS 53 HZ1 LYS 53 29.167 6.069 6.672 418 2HZ LYS 53 HZ3 LYS 53 30.121 5.508 5.413 419 3HZ LYS 53 HZ2 LYS 53 29.277 6.954 5.226 420 H GLY 54 HN GLY 54 22.603 4.470 8.197 421 1HA GLY 54 HA1 GLY 54 22.982 2.233 9.089 422 2HA GLY 54 HA2 GLY 54 23.879 1.877 7.627 423 H TYR 55 HN TYR 55 20.882 3.522 7.136 424 HA TYR 55 HA TYR 55 19.657 1.015 6.379 425 1HB TYR 55 HB2 TYR 55 18.827 1.168 8.499 426 2HB TYR 55 HB1 TYR 55 18.906 2.907 8.524 427 HD1 TYR 55 HD1 TYR 55 16.829 0.040 7.507 428 HD2 TYR 55 HD2 TYR 55 17.201 4.220 7.759 429 HE1 TYR 55 HE1 TYR 55 14.408 0.256 7.136 430 HE2 TYR 55 HE2 TYR 55 14.808 4.505 7.383 431 HH TYR 55 HH TYR 55 12.634 1.713 7.333 432 H VAL 56 HN VAL 56 18.437 1.187 4.617 433 HA VAL 56 HA VAL 56 17.741 3.848 3.641 434 HB VAL 56 HB VAL 56 18.920 1.588 1.966 435 1HG1 VAL 56 1HG1 VAL 56 17.738 4.213 1.087 436 2HG1 VAL 56 3HG1 VAL 56 18.589 3.077 0.047 437 3HG1 VAL 56 2HG1 VAL 56 17.055 2.616 0.786 438 1HG2 VAL 56 1HG2 VAL 56 20.562 3.029 3.136 439 2HG2 VAL 56 3HG2 VAL 56 20.633 3.197 1.380 440 3HG2 VAL 56 2HG2 VAL 56 19.836 4.435 2.332 441 H LEU 57 HN LEU 57 15.695 4.021 2.991 442 HA LEU 57 HA LEU 57 14.128 1.576 2.939 443 1HB LEU 57 HB2 LEU 57 13.404 2.732 4.817 444 2HB LEU 57 HB1 LEU 57 13.611 4.283 4.057 445 HG LEU 57 HG LEU 57 11.569 4.031 2.839 446 1HD1 LEU 57 2HD1 LEU 57 11.296 1.293 3.931 447 2HD1 LEU 57 1HD1 LEU 57 10.114 2.287 3.015 448 3HD1 LEU 57 3HD1 LEU 57 11.623 1.836 2.252 449 1HD2 LEU 57 2HD2 LEU 57 11.163 3.234 5.694 450 2HD2 LEU 57 1HD2 LEU 57 11.318 4.876 5.080 451 3HD2 LEU 57 3HD2 LEU 57 9.931 3.897 4.616 452 H PHE 58 HN PHE 58 13.531 0.990 1.098 453 HA PHE 58 HA PHE 58 12.755 2.901 -1.025 454 1HB PHE 58 HB2 PHE 58 14.246 0.314 -1.102 455 2HB PHE 58 HB1 PHE 58 13.180 0.702 -2.429 456 HD1 PHE 58 HD1 PHE 58 16.428 1.111 -1.046 457 HD2 PHE 58 HD2 PHE 58 13.584 2.857 -3.647 458 HE1 PHE 58 HE1 PHE 58 18.219 2.384 -2.175 459 HE2 PHE 58 HE2 PHE 58 15.353 4.141 -4.754 460 HZ PHE 58 HZ PHE 58 17.674 3.899 -4.024 461 H ARG 59 HN ARG 59 10.896 2.497 -2.093 462 HA ARG 59 HA ARG 59 9.449 0.096 -1.274 463 1HB ARG 59 HB2 ARG 59 7.327 1.265 -1.360 464 2HB ARG 59 HB1 ARG 59 8.405 1.997 -0.172 465 1HG ARG 59 HG2 ARG 59 8.897 3.791 -1.754 466 2HG ARG 59 HG1 ARG 59 7.795 3.032 -2.915 467 1HD ARG 59 HD2 ARG 59 6.871 4.893 -1.663 468 2HD ARG 59 HD1 ARG 59 5.924 3.406 -1.527 469 HE ARG 59 HE ARG 59 7.460 3.212 0.659 470 1HH1 ARG 59 1HH1 ARG 59 5.562 5.990 -0.446 471 2HH1 ARG 59 2HH1 ARG 59 5.376 6.614 1.131 472 1HH2 ARG 59 1HH2 ARG 59 7.172 3.997 2.683 473 2HH2 ARG 59 2HH2 ARG 59 6.340 5.458 3.009 474 H LYS 60 HN LYS 60 8.442 -0.972 -2.758 475 HA LYS 60 HA LYS 60 8.514 0.016 -5.508 476 1HB LYS 60 HB2 LYS 60 10.132 -1.737 -5.230 477 2HB LYS 60 HB1 LYS 60 9.022 -2.767 -4.384 478 1HG LYS 60 HG2 LYS 60 9.254 -3.671 -6.538 479 2HG LYS 60 HG1 LYS 60 7.710 -2.825 -6.580 480 1HD LYS 60 HD2 LYS 60 8.952 -2.329 -8.605 481 2HD LYS 60 HD1 LYS 60 8.866 -0.888 -7.587 482 1HE LYS 60 HE2 LYS 60 11.084 -1.093 -6.878 483 2HE LYS 60 HE1 LYS 60 11.274 -2.693 -7.554 484 1HZ LYS 60 HZ1 LYS 60 10.911 -1.680 -9.749 485 2HZ LYS 60 HZ3 LYS 60 10.814 -0.160 -9.034 486 3HZ LYS 60 HZ2 LYS 60 12.261 -1.069 -8.989 487 H GLN 61 HN GLN 61 6.657 -0.134 -6.545 488 HA GLN 61 HA GLN 61 4.431 -0.896 -4.841 489 1HB GLN 61 HB2 GLN 61 4.205 0.774 -7.327 490 2HB GLN 61 HB1 GLN 61 3.199 0.804 -5.873 491 1HG GLN 61 HG2 GLN 61 5.636 1.371 -4.868 492 2HG GLN 61 HG1 GLN 61 5.751 2.190 -6.391 493 1HE2 GLN 61 1HE2 GLN 61 4.611 2.091 -3.348 494 2HE2 GLN 61 2HE2 GLN 61 3.683 3.561 -3.282 495 H MET 62 HN MET 62 3.031 -2.371 -5.487 496 HA MET 62 HA MET 62 4.146 -4.164 -7.491 497 1HB MET 62 HB2 MET 62 3.557 -4.790 -5.062 498 2HB MET 62 HB1 MET 62 1.892 -4.775 -5.612 499 1HG MET 62 HG2 MET 62 2.751 -7.022 -5.633 500 2HG MET 62 HG1 MET 62 2.429 -6.482 -7.281 501 1HE MET 62 HE3 MET 62 5.223 -7.074 -4.567 502 2HE MET 62 HE2 MET 62 6.692 -6.700 -5.468 503 3HE MET 62 HE1 MET 62 5.556 -5.417 -5.064 504 H ASP 63 HN ASP 63 2.889 -5.109 -9.097 505 HA ASP 63 HA ASP 63 0.890 -3.335 -10.195 506 1HB ASP 63 HB2 ASP 63 2.127 -5.875 -11.267 507 2HB ASP 63 HB1 ASP 63 0.908 -4.950 -12.126 508 H ASP 64 HN ASP 64 0.798 -5.900 -8.126 509 HA ASP 64 HA ASP 64 -2.008 -6.286 -8.741 510 1HB ASP 64 HB2 ASP 64 -1.911 -8.684 -8.322 511 2HB ASP 64 HB1 ASP 64 -0.854 -8.256 -9.647 512 H ILE 65 HN ILE 65 -2.819 -7.860 -6.708 513 HA ILE 65 HA ILE 65 -2.583 -5.920 -4.537 514 HB ILE 65 HB ILE 65 -4.630 -6.977 -3.624 515 1HG1 ILE 65 2HG1 ILE 65 -4.352 -8.681 -6.083 516 2HG1 ILE 65 1HG1 ILE 65 -4.275 -9.208 -4.421 517 1HG2 ILE 65 3HG2 ILE 65 -4.816 -6.118 -6.509 518 2HG2 ILE 65 2HG2 ILE 65 -6.172 -6.193 -5.382 519 3HG2 ILE 65 1HG2 ILE 65 -4.846 -5.065 -5.095 520 1HD1 ILE 65 3HD1 ILE 65 -6.785 -8.094 -5.691 521 2HD1 ILE 65 2HD1 ILE 65 -6.426 -9.807 -5.543 522 3HD1 ILE 65 1HD1 ILE 65 -6.632 -8.827 -4.098 523 H SER 66 HN SER 66 -2.826 -6.789 -2.352 524 HA SER 66 HA SER 66 -0.598 -8.428 -1.701 525 1HB SER 66 HB2 SER 66 -2.802 -7.534 0.144 526 2HB SER 66 HB1 SER 66 -1.140 -7.934 0.564 527 HG SER 66 HG SER 66 -2.171 -5.686 -0.721 528 HA PRO 67 HA PRO 67 -2.529 -12.415 -1.515 529 1HB PRO 67 HB2 PRO 67 -0.950 -13.623 0.373 530 2HB PRO 67 HB1 PRO 67 -0.462 -13.385 -1.306 531 1HG PRO 67 HG2 PRO 67 0.287 -11.842 1.126 532 2HG PRO 67 HG1 PRO 67 1.260 -12.233 -0.299 533 1HD PRO 67 HD2 PRO 67 0.108 -9.788 0.153 534 2HD PRO 67 HD1 PRO 67 0.480 -10.392 -1.462 535 H LEU 68 HN LEU 68 -1.856 -10.856 1.612 536 HA LEU 68 HA LEU 68 -3.657 -12.492 3.074 537 1HB LEU 68 HB2 LEU 68 -1.640 -10.928 3.817 538 2HB LEU 68 HB1 LEU 68 -2.898 -9.728 3.971 539 HG LEU 68 HG LEU 68 -2.353 -10.722 6.136 540 1HD1 LEU 68 1HD1 LEU 68 -4.665 -10.020 5.836 541 2HD1 LEU 68 3HD1 LEU 68 -5.063 -11.630 5.227 542 3HD1 LEU 68 2HD1 LEU 68 -4.543 -11.431 6.895 543 1HD2 LEU 68 1HD2 LEU 68 -1.553 -12.883 5.344 544 2HD2 LEU 68 3HD2 LEU 68 -2.755 -13.064 6.620 545 3HD2 LEU 68 2HD2 LEU 68 -3.209 -13.355 4.945 546 H SER 69 HN SER 69 -3.943 -9.555 1.214 547 HA SER 69 HA SER 69 -6.464 -8.762 2.116 548 1HB SER 69 HB2 SER 69 -5.149 -8.302 -0.555 549 2HB SER 69 HB1 SER 69 -6.421 -7.315 0.180 550 HG SER 69 HG SER 69 -4.477 -6.320 0.672 551 H LYS 70 HN LYS 70 -5.439 -11.248 -0.131 552 HA LYS 70 HA LYS 70 -8.029 -11.582 -1.312 553 1HB LYS 70 HB2 LYS 70 -5.788 -13.583 -1.143 554 2HB LYS 70 HB1 LYS 70 -7.095 -13.542 -2.321 555 1HG LYS 70 HG2 LYS 70 -6.235 -11.469 -3.223 556 2HG LYS 70 HG1 LYS 70 -4.942 -11.475 -2.028 557 1HD LYS 70 HD2 LYS 70 -4.220 -13.674 -2.959 558 2HD LYS 70 HD1 LYS 70 -5.396 -13.429 -4.257 559 1HE LYS 70 HE2 LYS 70 -4.320 -11.247 -4.695 560 2HE LYS 70 HE1 LYS 70 -3.068 -11.680 -3.551 561 1HZ LYS 70 HZ1 LYS 70 -2.551 -13.642 -4.906 562 2HZ LYS 70 HZ3 LYS 70 -3.713 -13.154 -6.031 563 3HZ LYS 70 HZ2 LYS 70 -2.347 -12.206 -5.759 564 H VAL 71 HN VAL 71 -6.421 -12.672 1.558 565 HA VAL 71 HA VAL 71 -8.278 -14.874 1.909 566 HB VAL 71 HB VAL 71 -6.965 -15.682 3.695 567 1HG1 VAL 71 1HG1 VAL 71 -5.800 -15.881 1.596 568 2HG1 VAL 71 3HG1 VAL 71 -5.080 -14.289 1.888 569 3HG1 VAL 71 2HG1 VAL 71 -4.657 -15.642 2.940 570 1HG2 VAL 71 1HG2 VAL 71 -6.824 -13.596 5.044 571 2HG2 VAL 71 3HG2 VAL 71 -5.282 -14.456 4.947 572 3HG2 VAL 71 2HG2 VAL 71 -5.573 -13.030 3.947 573 H ASN 72 HN ASN 72 -7.579 -11.790 3.366 574 HA ASN 72 HA ASN 72 -10.128 -11.943 4.872 575 1HB ASN 72 HB2 ASN 72 -7.444 -11.077 5.959 576 2HB ASN 72 HB1 ASN 72 -8.952 -10.721 6.765 577 1HD2 ASN 72 1HD2 ASN 72 -6.795 -12.155 7.851 578 2HD2 ASN 72 2HD2 ASN 72 -7.323 -13.763 8.154 579 H GLY 73 HN GLY 73 -9.285 -10.494 2.379 580 1HA GLY 73 HA1 GLY 73 -9.210 -8.354 1.541 581 2HA GLY 73 HA2 GLY 73 -9.054 -7.745 3.182 582 H TYR 74 HN TYR 74 -10.559 -6.163 3.050 583 HA TYR 74 HA TYR 74 -13.293 -6.563 2.265 584 1HB TYR 74 HB2 TYR 74 -12.397 -6.226 5.140 585 2HB TYR 74 HB1 TYR 74 -13.963 -5.696 4.555 586 HD1 TYR 74 HD1 TYR 74 -11.906 -8.606 5.433 587 HD2 TYR 74 HD2 TYR 74 -15.661 -7.277 4.031 588 HE1 TYR 74 HE1 TYR 74 -12.868 -10.808 5.952 589 HE2 TYR 74 HE2 TYR 74 -16.647 -9.398 4.513 590 HH TYR 74 HH TYR 74 -15.114 -11.769 6.432 591 H ILE 75 HN ILE 75 -13.467 -4.922 1.162 592 HA ILE 75 HA ILE 75 -12.057 -2.493 1.728 593 HB ILE 75 HB ILE 75 -14.228 -3.309 -0.129 594 1HG1 ILE 75 2HG1 ILE 75 -11.455 -2.388 -0.668 595 2HG1 ILE 75 1HG1 ILE 75 -11.925 -4.073 -0.487 596 1HG2 ILE 75 2HG2 ILE 75 -12.892 -0.557 0.049 597 2HG2 ILE 75 1HG2 ILE 75 -13.990 -1.038 -1.245 598 3HG2 ILE 75 3HG2 ILE 75 -14.585 -0.893 0.410 599 1HD1 ILE 75 3HD1 ILE 75 -12.852 -2.152 -2.652 600 2HD1 ILE 75 2HD1 ILE 75 -11.706 -3.467 -2.870 601 3HD1 ILE 75 1HD1 ILE 75 -13.387 -3.820 -2.495 602 H GLY 76 HN GLY 76 -12.651 -1.230 3.278 603 1HA GLY 76 HA1 GLY 76 -14.095 -1.380 5.285 604 2HA GLY 76 HA2 GLY 76 -15.442 -1.400 4.163 605 H VAL 77 HN VAL 77 -16.447 0.366 4.481 606 HA VAL 77 HA VAL 77 -14.781 2.730 4.466 607 HB VAL 77 HB VAL 77 -16.523 4.103 3.666 608 1HG1 VAL 77 3HG1 VAL 77 -16.182 1.679 1.956 609 2HG1 VAL 77 2HG1 VAL 77 -16.881 3.217 1.409 610 3HG1 VAL 77 1HG1 VAL 77 -15.221 3.150 2.009 611 1HG2 VAL 77 1HG2 VAL 77 -18.282 1.681 3.738 612 2HG2 VAL 77 3HG2 VAL 77 -18.382 3.167 4.697 613 3HG2 VAL 77 2HG2 VAL 77 -18.696 3.218 2.951 614 H SER 78 HN SER 78 -15.102 4.283 5.779 615 HA SER 78 HA SER 78 -16.535 3.573 8.216 616 1HB SER 78 HB2 SER 78 -14.877 6.043 7.617 617 2HB SER 78 HB1 SER 78 -15.410 5.482 9.201 618 HG SER 78 HG SER 78 -14.055 3.588 7.782 619 H ASP 79 HN ASP 79 -17.918 5.617 9.116 620 HA ASP 79 HA ASP 79 -20.163 5.707 7.551 621 1HB ASP 79 HB2 ASP 79 -19.439 7.780 9.608 622 2HB ASP 79 HB1 ASP 79 -21.026 7.226 9.110 623 H ASN 80 HN ASN 80 -17.429 7.826 7.491 624 HA ASN 80 HA ASN 80 -18.806 9.839 5.898 625 1HB ASN 80 HB2 ASN 80 -16.027 9.719 7.024 626 2HB ASN 80 HB1 ASN 80 -16.506 10.944 5.861 627 1HD2 ASN 80 1HD2 ASN 80 -16.700 9.849 9.054 628 2HD2 ASN 80 2HD2 ASN 80 -17.527 11.223 9.714 629 H GLY 81 HN GLY 81 -18.048 7.039 5.016 630 1HA GLY 81 HA1 GLY 81 -17.612 7.746 2.300 631 2HA GLY 81 HA2 GLY 81 -17.714 6.115 2.960 632 H VAL 82 HN VAL 82 -15.710 6.351 4.816 633 HA VAL 82 HA VAL 82 -13.294 7.179 3.483 634 HB VAL 82 HB VAL 82 -13.554 5.493 6.001 635 1HG1 VAL 82 3HG1 VAL 82 -11.344 5.361 4.972 636 2HG1 VAL 82 2HG1 VAL 82 -11.245 7.122 4.947 637 3HG1 VAL 82 1HG1 VAL 82 -11.276 6.263 6.488 638 1HG2 VAL 82 1HG2 VAL 82 -14.695 7.701 6.154 639 2HG2 VAL 82 3HG2 VAL 82 -13.332 7.548 7.264 640 3HG2 VAL 82 2HG2 VAL 82 -13.158 8.477 5.779 641 H ILE 83 HN ILE 83 -12.337 6.082 2.073 642 HA ILE 83 HA ILE 83 -13.284 3.518 1.169 643 HB ILE 83 HB ILE 83 -11.293 5.396 -0.195 644 1HG1 ILE 83 2HG1 ILE 83 -13.374 6.536 0.171 645 2HG1 ILE 83 1HG1 ILE 83 -13.278 6.083 -1.528 646 1HG2 ILE 83 1HG2 ILE 83 -12.974 3.143 -1.350 647 2HG2 ILE 83 3HG2 ILE 83 -11.942 4.229 -2.280 648 3HG2 ILE 83 2HG2 ILE 83 -11.224 3.096 -1.134 649 1HD1 ILE 83 3HD1 ILE 83 -14.752 4.166 -1.076 650 2HD1 ILE 83 2HD1 ILE 83 -14.817 4.660 0.613 651 3HD1 ILE 83 1HD1 ILE 83 -15.517 5.701 -0.634 652 H SER 84 HN SER 84 -12.073 2.978 3.386 653 HA SER 84 HA SER 84 -9.200 2.511 2.919 654 1HB SER 84 HB2 SER 84 -9.348 1.994 5.413 655 2HB SER 84 HB1 SER 84 -9.635 3.661 4.912 656 HG SER 84 HG SER 84 -11.866 1.990 5.008 657 H THR 85 HN THR 85 -8.343 0.385 2.841 658 HA THR 85 HA THR 85 -10.333 -1.685 2.950 659 HB THR 85 HB THR 85 -8.466 -3.220 2.255 660 HG1 THR 85 HG1 THR 85 -6.698 -1.769 1.274 661 1HG2 THR 85 1HG2 THR 85 -8.939 -0.812 0.501 662 2HG2 THR 85 3HG2 THR 85 -8.313 -2.374 -0.036 663 3HG2 THR 85 2HG2 THR 85 -9.954 -2.253 0.609 664 H PHE 86 HN PHE 86 -10.192 -3.490 4.277 665 HA PHE 86 HA PHE 86 -8.601 -3.077 6.650 666 1HB PHE 86 HB2 PHE 86 -11.501 -3.883 6.464 667 2HB PHE 86 HB1 PHE 86 -10.546 -4.141 7.906 668 HD1 PHE 86 HD1 PHE 86 -11.562 -1.436 5.583 669 HD2 PHE 86 HD2 PHE 86 -10.617 -2.594 9.526 670 HE1 PHE 86 HE1 PHE 86 -12.321 0.776 6.398 671 HE2 PHE 86 HE2 PHE 86 -11.354 -0.391 10.377 672 HZ PHE 86 HZ PHE 86 -12.207 1.296 8.799 673 H HIS 87 HN HIS 87 -8.351 -5.218 7.848 674 HA HIS 87 HA HIS 87 -8.897 -7.517 6.147 675 1HB HIS 87 HB2 HIS 87 -6.917 -7.271 8.441 676 2HB HIS 87 HB1 HIS 87 -7.309 -8.778 7.631 677 HD1 HIS 87 HD1 HIS 87 -6.955 -8.255 4.722 678 HD2 HIS 87 HD2 HIS 87 -4.579 -6.408 7.585 679 HE1 HIS 87 HE1 HIS 87 -4.815 -7.607 3.548 680 H GLY 88 HN GLY 88 -10.566 -8.565 6.682 681 1HA GLY 88 HA1 GLY 88 -11.386 -8.745 9.485 682 2HA GLY 88 HA2 GLY 88 -12.070 -9.666 8.137 683 H ARG 89 HN ARG 89 -14.051 -8.865 9.352 684 HA ARG 89 HA ARG 89 -15.448 -7.007 7.851 685 1HB ARG 89 HB2 ARG 89 -15.987 -7.884 10.709 686 2HB ARG 89 HB1 ARG 89 -17.101 -6.934 9.745 687 1HG ARG 89 HG2 ARG 89 -16.128 -9.656 8.909 688 2HG ARG 89 HG1 ARG 89 -17.580 -9.394 9.874 689 1HD ARG 89 HD2 ARG 89 -18.585 -8.107 8.121 690 2HD ARG 89 HD1 ARG 89 -17.151 -8.137 7.134 691 HE ARG 89 HE ARG 89 -18.125 -10.742 7.778 692 1HH1 ARG 89 1HH1 ARG 89 -18.595 -8.005 5.586 693 2HH1 ARG 89 2HH1 ARG 89 -19.201 -8.937 4.300 694 1HH2 ARG 89 1HH2 ARG 89 -18.925 -12.044 6.049 695 2HH2 ARG 89 2HH2 ARG 89 -19.414 -11.325 4.583 696 HA PRO 90 HA PRO 90 -13.588 -3.240 9.228 697 1HB PRO 90 HB2 PRO 90 -15.140 -1.547 7.757 698 2HB PRO 90 HB1 PRO 90 -13.795 -2.480 7.093 699 1HG PRO 90 HG2 PRO 90 -16.718 -2.985 6.923 700 2HG PRO 90 HG1 PRO 90 -15.472 -3.306 5.719 701 1HD PRO 90 HD2 PRO 90 -16.606 -5.190 7.355 702 2HD PRO 90 HD1 PRO 90 -15.014 -5.395 6.616 703 H GLU 91 HN GLU 91 -14.150 -3.193 11.293 704 HA GLU 91 HA GLU 91 -16.398 -1.499 12.010 705 1HB GLU 91 HB2 GLU 91 -17.008 -3.125 13.812 706 2HB GLU 91 HB1 GLU 91 -17.152 -3.816 12.218 707 1HG GLU 91 HG2 GLU 91 -14.946 -4.886 12.527 708 2HG GLU 91 HG1 GLU 91 -14.951 -4.300 14.192 709 HA PRO 92 HA PRO 92 -13.334 0.300 14.744 710 1HB PRO 92 HB2 PRO 92 -14.327 0.106 17.306 711 2HB PRO 92 HB1 PRO 92 -14.738 1.406 16.171 712 1HG PRO 92 HG2 PRO 92 -16.267 -0.981 17.008 713 2HG PRO 92 HG1 PRO 92 -16.862 0.592 16.450 714 1HD PRO 92 HD2 PRO 92 -16.811 -1.736 14.999 715 2HD PRO 92 HD1 PRO 92 -16.899 -0.111 14.254 716 H ALA 93 HN ALA 93 -14.401 -2.817 15.485 717 HA ALA 93 HA ALA 93 -12.197 -3.468 17.220 718 1HB ALA 93 HB1 ALA 93 -14.393 -4.491 17.521 719 2HB ALA 93 HB2 ALA 93 -13.145 -5.714 17.244 720 3HB ALA 93 HB3 ALA 93 -14.257 -5.269 15.945 721 H SER 94 HN SER 94 -12.438 -2.857 14.063 722 HA SER 94 HA SER 94 -10.082 -4.486 13.497 723 1HB SER 94 HB2 SER 94 -12.064 -5.218 12.111 724 2HB SER 94 HB1 SER 94 -12.170 -3.577 11.474 725 HG SER 94 HG SER 94 -10.811 -5.459 10.401 726 H GLU 95 HN GLU 95 -8.782 -3.264 11.678 727 HA GLU 95 HA GLU 95 -8.893 -0.418 12.203 728 1HB GLU 95 HB2 GLU 95 -6.404 -2.098 12.534 729 2HB GLU 95 HB1 GLU 95 -6.483 -0.342 12.638 730 1HG GLU 95 HG2 GLU 95 -8.074 -0.589 14.521 731 2HG GLU 95 HG1 GLU 95 -7.813 -2.321 14.454 732 HA PRO 96 HA PRO 96 -8.406 -0.343 7.847 733 1HB PRO 96 HB2 PRO 96 -7.583 2.278 7.612 734 2HB PRO 96 HB1 PRO 96 -9.265 1.771 7.785 735 1HG PRO 96 HG2 PRO 96 -7.383 2.827 9.836 736 2HG PRO 96 HG1 PRO 96 -9.120 3.122 9.650 737 1HD PRO 96 HD2 PRO 96 -8.117 1.406 11.501 738 2HD PRO 96 HD1 PRO 96 -9.692 1.143 10.739 739 H ILE 97 HN ILE 97 -6.879 -0.705 6.445 740 HA ILE 97 HA ILE 97 -4.173 -1.078 7.290 741 HB ILE 97 HB ILE 97 -5.466 -1.263 4.553 742 1HG1 ILE 97 2HG1 ILE 97 -4.909 -3.509 6.496 743 2HG1 ILE 97 1HG1 ILE 97 -6.455 -2.675 6.406 744 1HG2 ILE 97 2HG2 ILE 97 -2.874 -2.436 5.579 745 2HG2 ILE 97 1HG2 ILE 97 -3.592 -2.747 3.998 746 3HG2 ILE 97 3HG2 ILE 97 -3.035 -1.126 4.403 747 1HD1 ILE 97 3HD1 ILE 97 -5.170 -4.185 4.138 748 2HD1 ILE 97 2HD1 ILE 97 -6.484 -4.756 5.190 749 3HD1 ILE 97 1HD1 ILE 97 -6.747 -3.377 4.137 750 H GLN 98 HN GLN 98 -5.949 1.189 5.334 751 HA GLN 98 HA GLN 98 -4.038 3.280 5.595 752 1HB GLN 98 HB2 GLN 98 -3.357 3.510 3.332 753 2HB GLN 98 HB1 GLN 98 -3.334 1.765 3.494 754 1HG GLN 98 HG2 GLN 98 -5.543 3.407 2.237 755 2HG GLN 98 HG1 GLN 98 -4.338 2.448 1.386 756 1HE2 GLN 98 1HE2 GLN 98 -4.463 0.210 3.109 757 2HE2 GLN 98 2HE2 GLN 98 -6.010 -0.549 2.835 758 H SER 99 HN SER 99 -5.219 5.149 4.094 759 HA SER 99 HA SER 99 -7.965 4.464 3.692 760 1HB SER 99 HB2 SER 99 -7.076 6.878 5.296 761 2HB SER 99 HB1 SER 99 -8.739 6.526 4.822 762 HG SER 99 HG SER 99 -7.637 4.395 6.024 763 H PHE 100 HN PHE 100 -8.448 5.138 1.638 764 HA PHE 100 HA PHE 100 -6.549 6.771 0.288 765 1HB PHE 100 HB2 PHE 100 -9.080 5.422 -0.662 766 2HB PHE 100 HB1 PHE 100 -8.080 6.431 -1.694 767 HD1 PHE 100 HD1 PHE 100 -8.423 3.178 -0.095 768 HD2 PHE 100 HD2 PHE 100 -5.834 5.709 -2.322 769 HE1 PHE 100 HE1 PHE 100 -7.029 1.235 -0.682 770 HE2 PHE 100 HE2 PHE 100 -4.436 3.771 -2.913 771 HZ PHE 100 HZ PHE 100 -5.038 1.528 -2.093 772 H PHE 101 HN PHE 101 -10.125 7.069 0.385 773 HA PHE 101 HA PHE 101 -9.858 9.856 0.972 774 1HB PHE 101 HB2 PHE 101 -11.090 10.578 -1.083 775 2HB PHE 101 HB1 PHE 101 -9.482 9.909 -1.363 776 HD1 PHE 101 HD1 PHE 101 -13.086 9.361 -1.823 777 HD2 PHE 101 HD2 PHE 101 -9.174 7.902 -2.617 778 HE1 PHE 101 HE1 PHE 101 -13.995 7.835 -3.522 779 HE2 PHE 101 HE2 PHE 101 -10.077 6.370 -4.309 780 HZ PHE 101 HZ PHE 101 -12.490 6.336 -4.764 781 H GLN 102 HN GLN 102 -12.313 10.815 0.529 782 HA GLN 102 HA GLN 102 -14.117 8.969 1.901 783 1HB GLN 102 HB2 GLN 102 -13.429 11.804 2.572 784 2HB GLN 102 HB1 GLN 102 -14.974 11.106 3.044 785 1HG GLN 102 HG2 GLN 102 -14.012 9.528 4.366 786 2HG GLN 102 HG1 GLN 102 -12.395 9.718 3.731 787 1HE2 GLN 102 1HE2 GLN 102 -14.589 12.324 4.703 788 2HE2 GLN 102 2HE2 GLN 102 -13.659 12.830 6.059 789 H ILE 103 HN ILE 103 -16.267 9.157 1.507 790 HA ILE 103 HA ILE 103 -17.206 10.935 -0.652 791 HB ILE 103 HB ILE 103 -18.250 9.095 -1.924 792 1HG1 ILE 103 2HG1 ILE 103 -17.080 7.220 0.143 793 2HG1 ILE 103 1HG1 ILE 103 -18.782 7.658 0.038 794 1HG2 ILE 103 1HG2 ILE 103 -15.391 8.436 -1.321 795 2HG2 ILE 103 3HG2 ILE 103 -16.326 7.807 -2.672 796 3HG2 ILE 103 2HG2 ILE 103 -15.992 9.531 -2.571 797 1HD1 ILE 103 3HD1 ILE 103 -18.828 6.723 -2.218 798 2HD1 ILE 103 2HD1 ILE 103 -17.163 6.175 -2.000 799 3HD1 ILE 103 1HD1 ILE 103 -18.453 5.520 -0.971 800 H ASP 104 HN ASP 104 -19.676 11.046 -0.674 801 HA ASP 104 HA ASP 104 -20.691 10.816 1.999 802 1HB ASP 104 HB2 ASP 104 -21.794 11.877 -0.564 803 2HB ASP 104 HB1 ASP 104 -22.924 11.388 0.673 804 H LEU 105 HN LEU 105 -21.294 8.963 2.786 805 HA LEU 105 HA LEU 105 -22.200 6.852 1.120 806 1HB LEU 105 HB2 LEU 105 -22.403 7.190 4.084 807 2HB LEU 105 HB1 LEU 105 -22.970 5.784 3.218 808 HG LEU 105 HG LEU 105 -20.189 6.657 3.796 809 1HD1 LEU 105 1HD1 LEU 105 -21.763 4.129 3.950 810 2HD1 LEU 105 3HD1 LEU 105 -20.064 4.271 4.397 811 3HD1 LEU 105 2HD1 LEU 105 -21.301 5.168 5.302 812 1HD2 LEU 105 2HD2 LEU 105 -20.983 4.735 1.582 813 2HD2 LEU 105 1HD2 LEU 105 -20.196 6.294 1.359 814 3HD2 LEU 105 3HD2 LEU 105 -19.346 4.989 2.181 815 H GLU 106 HN GLU 106 -23.646 9.383 2.889 816 HA GLU 106 HA GLU 106 -26.285 8.477 2.678 817 1HB GLU 106 HB2 GLU 106 -26.850 10.890 3.151 818 2HB GLU 106 HB1 GLU 106 -25.803 10.095 4.318 819 1HG GLU 106 HG2 GLU 106 -23.860 11.169 3.304 820 2HG GLU 106 HG1 GLU 106 -24.911 11.991 2.159 821 H ARG 107 HN ARG 107 -24.153 9.743 0.292 822 HA ARG 107 HA ARG 107 -26.393 10.398 -1.423 823 1HB ARG 107 HB2 ARG 107 -24.947 11.501 -2.815 824 2HB ARG 107 HB1 ARG 107 -24.099 11.674 -1.286 825 1HG ARG 107 HG2 ARG 107 -22.613 9.904 -1.845 826 2HG ARG 107 HG1 ARG 107 -23.518 9.619 -3.342 827 1HD ARG 107 HD2 ARG 107 -22.009 12.158 -2.640 828 2HD ARG 107 HD1 ARG 107 -21.486 10.945 -3.810 829 HE ARG 107 HE ARG 107 -24.078 12.172 -4.179 830 1HH1 ARG 107 1HH1 ARG 107 -20.689 12.298 -5.109 831 2HH1 ARG 107 2HH1 ARG 107 -20.973 12.923 -6.668 832 1HH2 ARG 107 1HH2 ARG 107 -24.503 13.012 -6.290 833 2HH2 ARG 107 2HH2 ARG 107 -23.245 13.324 -7.383 834 H LEU 108 HN LEU 108 -24.121 7.874 -0.821 835 HA LEU 108 HA LEU 108 -24.339 6.246 -3.104 836 1HB LEU 108 HB2 LEU 108 -23.785 5.723 -0.245 837 2HB LEU 108 HB1 LEU 108 -24.393 4.372 -1.160 838 HG LEU 108 HG LEU 108 -21.984 4.201 -1.122 839 1HD1 LEU 108 1HD1 LEU 108 -23.035 3.519 -3.012 840 2HD1 LEU 108 3HD1 LEU 108 -22.805 5.104 -3.758 841 3HD1 LEU 108 2HD1 LEU 108 -21.403 4.140 -3.268 842 1HD2 LEU 108 2HD2 LEU 108 -22.056 7.016 -2.023 843 2HD2 LEU 108 1HD2 LEU 108 -21.537 6.284 -0.484 844 3HD2 LEU 108 3HD2 LEU 108 -20.610 5.937 -1.946 845 H GLU 109 HN GLU 109 -25.806 4.702 -3.756 846 HA GLU 109 HA GLU 109 -28.349 4.635 -2.551 847 1HB GLU 109 HB2 GLU 109 -28.698 2.588 -3.946 848 2HB GLU 109 HB1 GLU 109 -28.131 3.962 -4.879 849 1HG GLU 109 HG2 GLU 109 -25.898 3.039 -4.936 850 2HG GLU 109 HG1 GLU 109 -26.408 1.707 -3.902 851 H SER 110 HN SER 110 -29.134 3.198 -1.109 852 HA SER 110 HA SER 110 -27.755 2.846 1.127 853 1HB SER 110 HB2 SER 110 -30.171 2.738 0.982 854 2HB SER 110 HB1 SER 110 -30.076 1.161 0.212 855 HG SER 110 HG SER 110 -29.277 1.846 2.846 856 H HIS 111 HN HIS 111 -28.331 -0.027 -0.995 857 HA HIS 111 HA HIS 111 -26.718 -1.445 0.827 858 1HB HIS 111 HB2 HIS 111 -28.034 -2.437 -1.687 859 2HB HIS 111 HB1 HIS 111 -26.984 -3.454 -0.705 860 HD1 HIS 111 HD1 HIS 111 -30.308 -3.425 -1.175 861 HD2 HIS 111 HD2 HIS 111 -28.064 -2.657 2.232 862 HE1 HIS 111 HE1 HIS 111 -31.823 -3.861 0.777 863 H MET 112 HN MET 112 -25.754 0.360 -1.777 864 HA MET 112 HA MET 112 -23.339 -1.111 -2.246 865 1HB MET 112 HB2 MET 112 -24.087 1.733 -2.767 866 2HB MET 112 HB1 MET 112 -22.419 1.208 -2.901 867 1HG MET 112 HG2 MET 112 -23.243 -0.500 -4.562 868 2HG MET 112 HG1 MET 112 -24.787 0.360 -4.521 869 1HE MET 112 HE3 MET 112 -20.958 0.609 -5.277 870 2HE MET 112 HE2 MET 112 -20.774 2.255 -5.871 871 3HE MET 112 HE1 MET 112 -21.159 1.968 -4.180 872 H GLN 113 HN GLN 113 -24.105 1.760 -0.327 873 HA GLN 113 HA GLN 113 -21.534 1.871 0.771 874 1HB GLN 113 HB2 GLN 113 -22.528 3.422 2.447 875 2HB GLN 113 HB1 GLN 113 -22.760 3.911 0.771 876 1HG GLN 113 HG2 GLN 113 -24.947 3.866 1.005 877 2HG GLN 113 HG1 GLN 113 -24.771 2.244 1.720 878 1HE2 GLN 113 1HE2 GLN 113 -25.017 5.592 2.430 879 2HE2 GLN 113 2HE2 GLN 113 -25.311 5.427 4.125 880 H LYS 114 HN LYS 114 -24.544 0.370 1.842 881 HA LYS 114 HA LYS 114 -23.742 -0.445 4.386 882 1HB LYS 114 HB2 LYS 114 -25.583 -1.749 2.390 883 2HB LYS 114 HB1 LYS 114 -25.440 -2.274 4.046 884 1HG LYS 114 HG2 LYS 114 -26.190 0.544 3.352 885 2HG LYS 114 HG1 LYS 114 -27.397 -0.729 3.392 886 1HD LYS 114 HD2 LYS 114 -25.590 0.055 5.690 887 2HD LYS 114 HD1 LYS 114 -27.262 0.572 5.500 888 1HE LYS 114 HE2 LYS 114 -28.000 -1.749 5.573 889 2HE LYS 114 HE1 LYS 114 -26.343 -2.292 5.756 890 1HZ LYS 114 HZ3 LYS 114 -26.215 -1.084 7.855 891 2HZ LYS 114 HZ2 LYS 114 -27.826 -0.615 7.723 892 3HZ LYS 114 HZ1 LYS 114 -27.427 -2.244 7.880 893 H ASN 115 HN ASN 115 -23.118 -1.790 1.182 894 HA ASN 115 HA ASN 115 -22.152 -4.329 2.045 895 1HB ASN 115 HB2 ASN 115 -22.933 -3.598 -0.343 896 2HB ASN 115 HB1 ASN 115 -21.344 -2.894 -0.477 897 1HD2 ASN 115 1HD2 ASN 115 -21.129 -4.273 -2.266 898 2HD2 ASN 115 2HD2 ASN 115 -20.642 -5.914 -2.046 899 H LEU 116 HN LEU 116 -20.810 -1.200 1.444 900 HA LEU 116 HA LEU 116 -18.070 -1.904 1.787 901 1HB LEU 116 HB2 LEU 116 -19.417 0.776 2.074 902 2HB LEU 116 HB1 LEU 116 -17.706 0.469 1.831 903 HG LEU 116 HG LEU 116 -19.809 -0.237 -0.221 904 1HD1 LEU 116 2HD1 LEU 116 -19.734 2.202 0.272 905 2HD1 LEU 116 1HD1 LEU 116 -18.038 2.198 -0.174 906 3HD1 LEU 116 3HD1 LEU 116 -19.269 1.781 -1.374 907 1HD2 LEU 116 3HD2 LEU 116 -17.661 -1.433 -0.370 908 2HD2 LEU 116 2HD2 LEU 116 -17.925 -0.348 -1.735 909 3HD2 LEU 116 1HD2 LEU 116 -16.823 0.115 -0.437 910 H LEU 117 HN LEU 117 -20.707 -0.968 3.912 911 HA LEU 117 HA LEU 117 -19.158 -0.419 6.240 912 1HB LEU 117 HB2 LEU 117 -22.009 -1.401 6.124 913 2HB LEU 117 HB1 LEU 117 -21.227 -0.640 7.483 914 HG LEU 117 HG LEU 117 -22.048 0.637 4.895 915 1HD1 LEU 117 3HD1 LEU 117 -23.828 0.221 6.517 916 2HD1 LEU 117 2HD1 LEU 117 -22.921 1.121 7.727 917 3HD1 LEU 117 1HD1 LEU 117 -23.526 1.948 6.291 918 1HD2 LEU 117 2HD2 LEU 117 -20.574 1.841 7.213 919 2HD2 LEU 117 1HD2 LEU 117 -19.960 1.533 5.569 920 3HD2 LEU 117 3HD2 LEU 117 -21.263 2.696 5.811 921 H LYS 118 HN LYS 118 -20.919 -3.235 5.058 922 HA LYS 118 HA LYS 118 -20.210 -4.816 7.332 923 1HB LYS 118 HB2 LYS 118 -21.477 -6.560 6.341 924 2HB LYS 118 HB1 LYS 118 -22.309 -5.079 5.905 925 1HG LYS 118 HG2 LYS 118 -20.656 -5.390 3.779 926 2HG LYS 118 HG1 LYS 118 -20.916 -7.046 4.243 927 1HD LYS 118 HD2 LYS 118 -23.151 -5.091 3.665 928 2HD LYS 118 HD1 LYS 118 -22.616 -6.394 2.598 929 1HE LYS 118 HE2 LYS 118 -23.223 -8.009 4.311 930 2HE LYS 118 HE1 LYS 118 -23.759 -6.685 5.350 931 1HZ LYS 118 HZ1 LYS 118 -25.422 -6.124 3.663 932 2HZ LYS 118 HZ3 LYS 118 -24.937 -7.463 2.739 933 3HZ LYS 118 HZ2 LYS 118 -25.619 -7.671 4.282 934 H GLY 119 HN GLY 119 -18.924 -4.247 4.158 935 1HA GLY 119 HA1 GLY 119 -16.647 -5.851 4.950 936 2HA GLY 119 HA2 GLY 119 -16.568 -4.394 3.960 937 H ILE 120 HN ILE 120 -16.092 -4.863 2.035 938 HA ILE 120 HA ILE 120 -17.590 -6.682 0.379 939 HB ILE 120 HB ILE 120 -14.886 -5.419 -0.203 940 1HG1 ILE 120 2HG1 ILE 120 -16.324 -3.602 0.403 941 2HG1 ILE 120 1HG1 ILE 120 -16.199 -3.611 -1.356 942 1HG2 ILE 120 3HG2 ILE 120 -15.509 -7.160 -1.788 943 2HG2 ILE 120 2HG2 ILE 120 -17.053 -6.348 -2.081 944 3HG2 ILE 120 1HG2 ILE 120 -15.547 -5.572 -2.560 945 1HD1 ILE 120 3HD1 ILE 120 -18.391 -4.745 0.276 946 2HD1 ILE 120 2HD1 ILE 120 -18.499 -3.210 -0.589 947 3HD1 ILE 120 1HD1 ILE 120 -18.355 -4.739 -1.477 948 HA PRO 121 HA PRO 121 -15.153 -10.357 1.492 949 1HB PRO 121 HB2 PRO 121 -15.970 -11.917 -0.607 950 2HB PRO 121 HB1 PRO 121 -16.959 -11.630 0.824 951 1HG PRO 121 HG2 PRO 121 -17.063 -10.283 -1.849 952 2HG PRO 121 HG1 PRO 121 -18.401 -10.870 -0.845 953 1HD PRO 121 HD2 PRO 121 -17.767 -8.291 -0.932 954 2HD PRO 121 HD1 PRO 121 -18.311 -9.057 0.575 955 H PHE 122 HN PHE 122 -14.180 -8.238 -0.254 956 HA PHE 122 HA PHE 122 -12.620 -7.534 -1.574 957 1HB PHE 122 HB2 PHE 122 -11.354 -9.255 0.039 958 2HB PHE 122 HB1 PHE 122 -10.965 -9.977 -1.527 959 HD1 PHE 122 HD1 PHE 122 -9.030 -9.226 -2.567 960 HD2 PHE 122 HD2 PHE 122 -11.139 -6.601 0.029 961 HE1 PHE 122 HE1 PHE 122 -7.341 -7.465 -2.945 962 HE2 PHE 122 HE2 PHE 122 -9.456 -4.863 -0.346 963 HZ PHE 122 HZ PHE 122 -7.562 -5.306 -1.846 964 H ARG 123 HN ARG 123 -11.124 -8.124 -3.523 965 HA ARG 123 HA ARG 123 -12.621 -9.572 -5.513 966 1HB ARG 123 HB2 ARG 123 -12.091 -6.585 -5.663 967 2HB ARG 123 HB1 ARG 123 -12.571 -7.615 -6.996 968 1HG ARG 123 HG2 ARG 123 -14.724 -8.016 -5.977 969 2HG ARG 123 HG1 ARG 123 -14.258 -7.040 -4.574 970 1HD ARG 123 HD2 ARG 123 -14.005 -5.086 -5.938 971 2HD ARG 123 HD1 ARG 123 -14.247 -6.010 -7.406 972 HE ARG 123 HE ARG 123 -16.483 -6.106 -5.629 973 1HH1 ARG 123 1HH1 ARG 123 -14.907 -4.253 -8.205 974 2HH1 ARG 123 2HH1 ARG 123 -16.280 -3.458 -8.755 975 1HH2 ARG 123 1HH2 ARG 123 -18.429 -4.967 -6.284 976 2HH2 ARG 123 2HH2 ARG 123 -18.399 -3.863 -7.579 977 H THR 124 HN THR 124 -11.297 -9.146 -7.684 978 HA THR 124 HA THR 124 -8.521 -9.688 -7.081 979 HB THR 124 HB THR 124 -9.934 -9.537 -9.774 980 HG1 THR 124 HG1 THR 124 -11.073 -10.968 -8.645 981 1HG2 THR 124 1HG2 THR 124 -7.464 -11.036 -8.851 982 2HG2 THR 124 3HG2 THR 124 -8.224 -11.184 -10.441 983 3HG2 THR 124 2HG2 THR 124 -7.534 -9.645 -9.953 984 H LYS 125 HN LYS 125 -6.985 -8.386 -8.987 985 HA LYS 125 HA LYS 125 -6.880 -5.848 -7.877 986 1HB LYS 125 HB2 LYS 125 -5.128 -5.320 -9.453 987 2HB LYS 125 HB1 LYS 125 -4.881 -6.880 -8.715 988 1HG LYS 125 HG2 LYS 125 -5.333 -8.050 -10.701 989 2HG LYS 125 HG1 LYS 125 -6.182 -6.679 -11.410 990 1HD LYS 125 HD2 LYS 125 -3.223 -6.699 -10.815 991 2HD LYS 125 HD1 LYS 125 -3.917 -7.091 -12.390 992 1HE LYS 125 HE2 LYS 125 -4.909 -4.877 -12.545 993 2HE LYS 125 HE1 LYS 125 -4.344 -4.459 -10.939 994 1HZ LYS 125 HZ3 LYS 125 -2.072 -4.703 -11.752 995 2HZ LYS 125 HZ2 LYS 125 -2.662 -4.976 -13.320 996 3HZ LYS 125 HZ1 LYS 125 -2.946 -3.503 -12.555 997 H ALA 126 HN ALA 126 -8.168 -6.822 -11.071 998 HA ALA 126 HA ALA 126 -8.447 -4.111 -11.921 999 1HB ALA 126 HB1 ALA 126 -9.635 -6.651 -12.988 1000 2HB ALA 126 HB2 ALA 126 -8.073 -5.993 -13.440 1001 3HB ALA 126 HB3 ALA 126 -9.556 -5.109 -13.857 1002 H GLU 127 HN GLU 127 -10.205 -6.431 -10.245 1003 HA GLU 127 HA GLU 127 -12.812 -5.293 -10.571 1004 1HB GLU 127 HB2 GLU 127 -11.765 -7.188 -8.550 1005 2HB GLU 127 HB1 GLU 127 -13.473 -7.026 -9.024 1006 1HG GLU 127 HG2 GLU 127 -12.517 -7.747 -11.353 1007 2HG GLU 127 HG1 GLU 127 -11.141 -8.215 -10.424 1008 H PHE 128 HN PHE 128 -10.197 -5.197 -8.265 1009 HA PHE 128 HA PHE 128 -11.444 -3.767 -6.185 1010 1HB PHE 128 HB2 PHE 128 -9.440 -4.983 -5.725 1011 2HB PHE 128 HB1 PHE 128 -8.576 -4.194 -7.028 1012 HD1 PHE 128 HD1 PHE 128 -9.742 -3.872 -3.592 1013 HD2 PHE 128 HD2 PHE 128 -7.750 -1.937 -6.806 1014 HE1 PHE 128 HE1 PHE 128 -8.926 -2.148 -2.035 1015 HE2 PHE 128 HE2 PHE 128 -6.909 -0.206 -5.253 1016 HZ PHE 128 HZ PHE 128 -7.505 -0.314 -2.865 1017 H GLU 129 HN GLU 129 -9.287 -2.739 -8.827 1018 HA GLU 129 HA GLU 129 -9.648 -0.053 -8.167 1019 1HB GLU 129 HB2 GLU 129 -8.593 0.415 -10.426 1020 2HB GLU 129 HB1 GLU 129 -7.652 -0.547 -9.298 1021 1HG GLU 129 HG2 GLU 129 -8.294 -2.552 -10.456 1022 2HG GLU 129 HG1 GLU 129 -9.250 -1.612 -11.591 1023 H ASP 130 HN ASP 130 -11.585 -2.207 -9.875 1024 HA ASP 130 HA ASP 130 -13.250 -0.405 -11.314 1025 1HB ASP 130 HB2 ASP 130 -13.451 -2.762 -11.768 1026 2HB ASP 130 HB1 ASP 130 -13.821 -3.099 -10.094 1027 H VAL 131 HN VAL 131 -13.647 -1.937 -8.172 1028 HA VAL 131 HA VAL 131 -15.925 -0.402 -7.526 1029 HB VAL 131 HB VAL 131 -15.596 -2.535 -6.367 1030 1HG1 VAL 131 3HG1 VAL 131 -13.202 -2.548 -6.298 1031 2HG1 VAL 131 2HG1 VAL 131 -13.227 -1.322 -5.034 1032 3HG1 VAL 131 1HG1 VAL 131 -13.904 -2.922 -4.717 1033 1HG2 VAL 131 1HG2 VAL 131 -15.459 -0.251 -4.422 1034 2HG2 VAL 131 3HG2 VAL 131 -16.925 -0.906 -5.169 1035 3HG2 VAL 131 2HG2 VAL 131 -15.979 -1.898 -4.049 1036 H ILE 132 HN ILE 132 -12.523 0.134 -7.018 1037 HA ILE 132 HA ILE 132 -12.827 2.404 -5.407 1038 HB ILE 132 HB ILE 132 -10.595 1.080 -6.779 1039 1HG1 ILE 132 2HG1 ILE 132 -9.432 1.531 -4.665 1040 2HG1 ILE 132 1HG1 ILE 132 -10.749 2.571 -4.155 1041 1HG2 ILE 132 1HG2 ILE 132 -10.311 3.231 -7.823 1042 2HG2 ILE 132 3HG2 ILE 132 -10.332 4.031 -6.248 1043 3HG2 ILE 132 2HG2 ILE 132 -9.013 2.929 -6.665 1044 1HD1 ILE 132 2HD1 ILE 132 -10.931 -0.388 -4.660 1045 2HD1 ILE 132 1HD1 ILE 132 -10.863 0.397 -3.078 1046 3HD1 ILE 132 3HD1 ILE 132 -12.252 0.656 -4.134 1047 H GLU 133 HN GLU 133 -12.677 2.093 -8.959 1048 HA GLU 133 HA GLU 133 -12.717 4.886 -9.327 1049 1HB GLU 133 HB2 GLU 133 -13.316 4.516 -11.646 1050 2HB GLU 133 HB1 GLU 133 -12.030 3.416 -11.185 1051 1HG GLU 133 HG2 GLU 133 -13.561 1.606 -11.080 1052 2HG GLU 133 HG1 GLU 133 -14.928 2.696 -11.303 1053 H HIS 134 HN HIS 134 -15.166 2.545 -8.754 1054 HA HIS 134 HA HIS 134 -17.411 4.159 -9.404 1055 1HB HIS 134 HB2 HIS 134 -17.225 1.606 -9.038 1056 2HB HIS 134 HB1 HIS 134 -17.412 1.972 -7.328 1057 HD1 HIS 134 HD1 HIS 134 -19.461 0.345 -9.205 1058 HD2 HIS 134 HD2 HIS 134 -19.852 4.280 -7.943 1059 HE1 HIS 134 HE1 HIS 134 -21.917 0.860 -9.291 1060 H MET 135 HN MET 135 -15.598 3.572 -6.487 1061 HA MET 135 HA MET 135 -17.050 5.180 -4.649 1062 1HB MET 135 HB2 MET 135 -14.068 4.687 -4.683 1063 2HB MET 135 HB1 MET 135 -14.977 5.308 -3.329 1064 1HG MET 135 HG2 MET 135 -15.245 2.541 -4.502 1065 2HG MET 135 HG1 MET 135 -14.313 2.949 -3.074 1066 1HE MET 135 HE3 MET 135 -17.695 1.876 -4.501 1067 2HE MET 135 HE2 MET 135 -18.882 2.488 -3.351 1068 3HE MET 135 HE1 MET 135 -18.069 3.599 -4.446 1069 H LYS 136 HN LYS 136 -14.296 5.988 -6.695 1070 HA LYS 136 HA LYS 136 -14.331 8.705 -5.868 1071 1HB LYS 136 HB2 LYS 136 -12.651 9.147 -7.661 1072 2HB LYS 136 HB1 LYS 136 -12.204 7.908 -6.502 1073 1HG LYS 136 HG2 LYS 136 -12.816 6.216 -8.046 1074 2HG LYS 136 HG1 LYS 136 -13.283 7.415 -9.261 1075 1HD LYS 136 HD2 LYS 136 -11.037 6.546 -9.719 1076 2HD LYS 136 HD1 LYS 136 -10.970 8.251 -9.273 1077 1HE LYS 136 HE2 LYS 136 -10.249 7.687 -7.039 1078 2HE LYS 136 HE1 LYS 136 -10.467 5.968 -7.363 1079 1HZ LYS 136 HZ2 LYS 136 -8.517 7.727 -8.770 1080 2HZ LYS 136 HZ1 LYS 136 -8.130 6.691 -7.511 1081 3HZ LYS 136 HZ3 LYS 136 -8.688 6.075 -8.958 1082 H THR 137 HN THR 137 -16.102 7.006 -8.123 1083 HA THR 137 HA THR 137 -16.792 9.135 -9.783 1084 HB THR 137 HB THR 137 -17.311 6.385 -9.574 1085 HG1 THR 137 HG1 THR 137 -16.855 7.295 -11.465 1086 1HG2 THR 137 3HG2 THR 137 -19.927 7.912 -9.545 1087 2HG2 THR 137 2HG2 THR 137 -19.744 6.196 -10.001 1088 3HG2 THR 137 1HG2 THR 137 -19.305 6.737 -8.375 1089 H TYR 138 HN TYR 138 -17.558 8.342 -6.448 1090 HA TYR 138 HA TYR 138 -19.691 10.249 -6.417 1091 1HB TYR 138 HB2 TYR 138 -18.464 8.544 -4.207 1092 2HB TYR 138 HB1 TYR 138 -19.809 9.656 -3.965 1093 HD1 TYR 138 HD1 TYR 138 -21.847 9.288 -5.427 1094 HD2 TYR 138 HD2 TYR 138 -18.926 6.279 -4.773 1095 HE1 TYR 138 HE1 TYR 138 -23.436 7.556 -6.216 1096 HE2 TYR 138 HE2 TYR 138 -20.443 4.590 -5.568 1097 HH TYR 138 HH TYR 138 -22.777 4.179 -5.868 1098 H SER 139 HN SER 139 -16.763 9.737 -4.412 1099 HA SER 139 HA SER 139 -15.511 11.232 -3.222 1100 1HB SER 139 HB2 SER 139 -15.239 12.116 -6.063 1101 2HB SER 139 HB1 SER 139 -14.151 12.651 -4.766 1102 HG SER 139 HG SER 139 -13.137 10.872 -5.119 1103 H GLY 140 HN GLY 140 -18.283 12.087 -3.315 1104 1HA GLY 140 HA1 GLY 140 -19.140 14.409 -3.726 1105 2HA GLY 140 HA2 GLY 140 -17.762 14.861 -2.704 No H/Q in entry = 1105 Start of MODEL 24 1 H1 ALA 1 HT3 ALA 1 34.919 15.367 -0.937 2 H2 ALA 1 HT2 ALA 1 34.029 16.376 -1.972 3 H3 ALA 1 HT1 ALA 1 33.249 15.464 -0.791 4 HA ALA 1 HA ALA 1 32.924 14.439 -2.868 5 1HB ALA 1 HB3 ALA 1 34.934 15.339 -3.989 6 2HB ALA 1 HB2 ALA 1 35.936 14.264 -3.019 7 3HB ALA 1 HB1 ALA 1 34.794 13.590 -4.180 8 H GLU 2 HN GLU 2 31.964 13.124 -1.311 9 HA GLU 2 HA GLU 2 33.633 11.244 0.086 10 1HB GLU 2 HB2 GLU 2 31.672 12.270 1.179 11 2HB GLU 2 HB1 GLU 2 30.633 11.499 -0.016 12 1HG GLU 2 HG2 GLU 2 30.926 9.402 0.896 13 2HG GLU 2 HG1 GLU 2 32.428 9.847 1.706 14 H VAL 3 HN VAL 3 33.841 9.178 -0.404 15 HA VAL 3 HA VAL 3 32.857 8.415 -3.075 16 HB VAL 3 HB VAL 3 34.922 7.162 -3.413 17 1HG1 VAL 3 3HG1 VAL 3 35.392 10.024 -2.603 18 2HG1 VAL 3 2HG1 VAL 3 36.491 9.054 -3.584 19 3HG1 VAL 3 1HG1 VAL 3 34.881 9.445 -4.187 20 1HG2 VAL 3 1HG2 VAL 3 35.408 6.602 -1.066 21 2HG2 VAL 3 3HG2 VAL 3 36.802 7.327 -1.863 22 3HG2 VAL 3 2HG2 VAL 3 35.829 8.288 -0.753 23 H GLU 4 HN GLU 4 33.225 6.004 -3.414 24 HA GLU 4 HA GLU 4 31.919 4.496 -1.309 25 1HB GLU 4 HB2 GLU 4 32.771 3.766 -4.140 26 2HB GLU 4 HB1 GLU 4 31.743 2.788 -3.094 27 1HG GLU 4 HG2 GLU 4 29.954 4.331 -3.234 28 2HG GLU 4 HG1 GLU 4 30.985 5.578 -3.929 29 H HIS 5 HN HIS 5 33.267 3.546 0.133 30 HA HIS 5 HA HIS 5 36.126 3.609 -0.328 31 1HB HIS 5 HB2 HIS 5 34.691 2.568 2.133 32 2HB HIS 5 HB1 HIS 5 36.370 2.926 1.963 33 HD1 HIS 5 HD1 HIS 5 37.151 5.174 2.669 34 HD2 HIS 5 HD2 HIS 5 33.047 5.064 2.029 35 HE1 HIS 5 HE1 HIS 5 36.250 7.346 3.562 36 H TYR 6 HN TYR 6 37.202 1.570 0.974 37 HA TYR 6 HA TYR 6 36.636 -0.763 -0.630 38 1HB TYR 6 HB2 TYR 6 38.634 -0.337 1.604 39 2HB TYR 6 HB1 TYR 6 38.615 -1.657 0.450 40 HD1 TYR 6 HD1 TYR 6 39.110 1.985 0.779 41 HD2 TYR 6 HD2 TYR 6 39.715 -1.448 -1.633 42 HE1 TYR 6 HE1 TYR 6 40.655 3.264 -0.631 43 HE2 TYR 6 HE2 TYR 6 41.252 -0.181 -3.067 44 HH TYR 6 HH TYR 6 42.500 2.817 -2.124 45 H GLU 7 HN GLU 7 36.024 0.605 2.416 46 HA GLU 7 HA GLU 7 35.029 -1.754 3.704 47 1HB GLU 7 HB2 GLU 7 34.569 1.195 4.249 48 2HB GLU 7 HB1 GLU 7 34.006 -0.110 5.278 49 1HG GLU 7 HG2 GLU 7 36.869 0.563 4.683 50 2HG GLU 7 HG1 GLU 7 35.990 0.946 6.162 51 HA PRO 8 HA PRO 8 31.370 -1.470 1.276 52 1HB PRO 8 HB2 PRO 8 29.828 -3.168 2.574 53 2HB PRO 8 HB1 PRO 8 31.092 -3.713 1.482 54 1HG PRO 8 HG2 PRO 8 31.113 -3.623 4.474 55 2HG PRO 8 HG1 PRO 8 31.857 -4.817 3.396 56 1HD PRO 8 HD2 PRO 8 33.231 -2.788 4.634 57 2HD PRO 8 HD1 PRO 8 33.742 -3.543 3.112 58 H LEU 9 HN LEU 9 29.139 -1.057 1.576 59 HA LEU 9 HA LEU 9 28.852 1.129 3.524 60 1HB LEU 9 HB2 LEU 9 28.183 0.887 0.734 61 2HB LEU 9 HB1 LEU 9 26.735 0.777 1.617 62 HG LEU 9 HG LEU 9 27.254 3.119 0.874 63 1HD1 LEU 9 3HD1 LEU 9 26.759 2.574 3.782 64 2HD1 LEU 9 2HD1 LEU 9 26.482 4.132 2.998 65 3HD1 LEU 9 1HD1 LEU 9 25.552 2.710 2.511 66 1HD2 LEU 9 1HD2 LEU 9 29.649 3.116 1.457 67 2HD2 LEU 9 3HD2 LEU 9 28.768 4.434 2.230 68 3HD2 LEU 9 2HD2 LEU 9 29.207 3.013 3.169 69 H GLN 10 HN GLN 10 27.779 0.556 5.331 70 HA GLN 10 HA GLN 10 25.974 -1.636 5.218 71 1HB GLN 10 HB2 GLN 10 26.765 0.234 7.418 72 2HB GLN 10 HB1 GLN 10 25.455 -0.917 7.627 73 1HG GLN 10 HG2 GLN 10 27.043 -2.703 7.098 74 2HG GLN 10 HG1 GLN 10 28.340 -1.505 7.037 75 1HE2 GLN 10 1HE2 GLN 10 28.030 -3.777 8.822 76 2HE2 GLN 10 2HE2 GLN 10 28.008 -3.162 10.416 77 H VAL 11 HN VAL 11 24.158 -1.313 4.199 78 HA VAL 11 HA VAL 11 22.732 1.223 4.541 79 HB VAL 11 HB VAL 11 22.123 -0.888 2.505 80 1HG1 VAL 11 2HG1 VAL 11 20.443 0.741 2.862 81 2HG1 VAL 11 1HG1 VAL 11 21.588 2.053 2.574 82 3HG1 VAL 11 3HG1 VAL 11 21.153 0.952 1.263 83 1HG2 VAL 11 3HG2 VAL 11 24.453 -0.347 2.145 84 2HG2 VAL 11 2HG2 VAL 11 23.457 0.292 0.841 85 3HG2 VAL 11 1HG2 VAL 11 24.075 1.381 2.097 86 H HIS 12 HN HIS 12 21.061 1.050 5.906 87 HA HIS 12 HA HIS 12 19.740 -1.527 6.219 88 1HB HIS 12 HB2 HIS 12 20.381 -0.199 8.266 89 2HB HIS 12 HB1 HIS 12 19.290 1.075 7.735 90 HD1 HIS 12 HD1 HIS 12 19.400 -1.947 9.783 91 HD2 HIS 12 HD2 HIS 12 16.495 0.152 7.678 92 HE1 HIS 12 HE1 HIS 12 17.192 -2.694 10.713 93 H VAL 13 HN VAL 13 18.244 -1.855 4.814 94 HA VAL 13 HA VAL 13 16.868 0.409 3.590 95 HB VAL 13 HB VAL 13 16.317 -1.094 1.761 96 1HG1 VAL 13 2HG1 VAL 13 18.356 0.208 1.680 97 2HG1 VAL 13 1HG1 VAL 13 19.226 -1.134 2.434 98 3HG1 VAL 13 3HG1 VAL 13 18.530 -1.340 0.830 99 1HG2 VAL 13 1HG2 VAL 13 16.285 -3.209 2.955 100 2HG2 VAL 13 3HG2 VAL 13 17.345 -3.288 1.545 101 3HG2 VAL 13 2HG2 VAL 13 18.042 -3.114 3.156 102 H GLN 14 HN GLN 14 14.893 0.665 3.799 103 HA GLN 14 HA GLN 14 13.345 -1.443 5.106 104 1HB GLN 14 HB2 GLN 14 13.515 0.958 6.109 105 2HB GLN 14 HB1 GLN 14 12.487 1.445 4.774 106 1HG GLN 14 HG2 GLN 14 11.719 -0.693 6.747 107 2HG GLN 14 HG1 GLN 14 11.341 1.007 6.976 108 1HE2 GLN 14 1HE2 GLN 14 9.811 1.945 5.701 109 2HE2 GLN 14 2HE2 GLN 14 8.705 1.024 4.748 110 H LEU 15 HN LEU 15 12.294 -2.597 3.735 111 HA LEU 15 HA LEU 15 11.865 -1.549 1.032 112 1HB LEU 15 HB2 LEU 15 12.151 -4.396 1.961 113 2HB LEU 15 HB1 LEU 15 11.952 -3.874 0.306 114 HG LEU 15 HG LEU 15 14.301 -3.292 2.082 115 1HD1 LEU 15 3HD1 LEU 15 13.991 -5.159 -0.246 116 2HD1 LEU 15 2HD1 LEU 15 15.529 -4.716 0.493 117 3HD1 LEU 15 1HD1 LEU 15 14.318 -5.583 1.438 118 1HD2 LEU 15 1HD2 LEU 15 13.815 -2.556 -0.800 119 2HD2 LEU 15 3HD2 LEU 15 13.964 -1.445 0.565 120 3HD2 LEU 15 2HD2 LEU 15 15.356 -2.391 0.039 121 H GLU 16 HN GLU 16 9.824 -0.827 1.002 122 HA GLU 16 HA GLU 16 7.688 -2.234 2.395 123 1HB GLU 16 HB2 GLU 16 7.529 0.191 0.594 124 2HB GLU 16 HB1 GLU 16 6.272 -0.401 1.665 125 1HG GLU 16 HG2 GLU 16 7.649 0.106 3.582 126 2HG GLU 16 HG1 GLU 16 8.933 0.705 2.533 127 H LYS 17 HN LYS 17 5.988 -3.225 1.356 128 HA LYS 17 HA LYS 17 6.287 -3.634 -1.549 129 1HB LYS 17 HB2 LYS 17 4.879 -5.479 0.397 130 2HB LYS 17 HB1 LYS 17 5.225 -5.794 -1.290 131 1HG LYS 17 HG2 LYS 17 7.217 -5.641 0.959 132 2HG LYS 17 HG1 LYS 17 6.671 -7.098 0.131 133 1HD LYS 17 HD2 LYS 17 7.668 -6.274 -1.947 134 2HD LYS 17 HD1 LYS 17 8.202 -4.815 -1.102 135 1HE LYS 17 HE2 LYS 17 9.018 -7.642 -0.514 136 2HE LYS 17 HE1 LYS 17 10.015 -6.400 -1.269 137 1HZ LYS 17 HZ1 LYS 17 9.822 -5.103 0.869 138 2HZ LYS 17 HZ3 LYS 17 9.003 -6.427 1.532 139 3HZ LYS 17 HZ2 LYS 17 10.584 -6.592 1.040 140 H VAL 18 HN VAL 18 4.855 -2.230 -2.359 141 HA VAL 18 HA VAL 18 2.563 -1.552 -0.713 142 HB VAL 18 HB VAL 18 3.600 -0.236 -3.233 143 1HG1 VAL 18 2HG1 VAL 18 1.193 0.107 -2.941 144 2HG1 VAL 18 1HG1 VAL 18 1.467 0.681 -1.297 145 3HG1 VAL 18 3HG1 VAL 18 2.080 1.606 -2.670 146 1HG2 VAL 18 2HG2 VAL 18 3.842 0.574 -0.340 147 2HG2 VAL 18 1HG2 VAL 18 5.143 -0.004 -1.378 148 3HG2 VAL 18 3HG2 VAL 18 4.366 1.543 -1.721 149 H TYR 19 HN TYR 19 0.981 -2.910 -0.963 150 HA TYR 19 HA TYR 19 0.383 -3.979 -3.570 151 1HB TYR 19 HB2 TYR 19 -0.803 -4.482 -0.837 152 2HB TYR 19 HB1 TYR 19 -1.324 -5.288 -2.315 153 HD1 TYR 19 HD1 TYR 19 1.376 -5.016 0.188 154 HD2 TYR 19 HD2 TYR 19 0.017 -6.942 -3.350 155 HE1 TYR 19 HE1 TYR 19 3.109 -6.770 0.477 156 HE2 TYR 19 HE2 TYR 19 1.739 -8.679 -3.086 157 HH TYR 19 HH TYR 19 3.486 -9.091 -0.244 158 H LEU 20 HN LEU 20 -1.467 -3.581 -4.611 159 HA LEU 20 HA LEU 20 -2.415 -0.957 -4.641 160 1HB LEU 20 HB2 LEU 20 -3.834 -3.412 -5.627 161 2HB LEU 20 HB1 LEU 20 -4.141 -1.766 -6.132 162 HG LEU 20 HG LEU 20 -1.619 -3.326 -6.651 163 1HD1 LEU 20 2HD1 LEU 20 -3.549 -4.156 -7.835 164 2HD1 LEU 20 1HD1 LEU 20 -3.906 -2.553 -8.456 165 3HD1 LEU 20 3HD1 LEU 20 -2.428 -3.386 -8.957 166 1HD2 LEU 20 3HD2 LEU 20 -1.227 -0.929 -6.442 167 2HD2 LEU 20 2HD2 LEU 20 -1.047 -1.461 -8.117 168 3HD2 LEU 20 1HD2 LEU 20 -2.511 -0.608 -7.608 169 H ASP 21 HN ASP 21 -3.602 -3.817 -3.106 170 HA ASP 21 HA ASP 21 -6.192 -2.789 -2.471 171 1HB ASP 21 HB2 ASP 21 -6.496 -4.791 -1.191 172 2HB ASP 21 HB1 ASP 21 -5.884 -5.157 -2.803 173 H GLY 22 HN GLY 22 -3.293 -2.038 -1.081 174 1HA GLY 22 HA1 GLY 22 -4.741 -1.294 1.357 175 2HA GLY 22 HA2 GLY 22 -3.436 -0.363 0.649 176 H ASP 23 HN ASP 23 -3.060 -3.784 0.752 177 HA ASP 23 HA ASP 23 -1.770 -3.829 3.303 178 1HB ASP 23 HB2 ASP 23 -2.749 -5.907 2.336 179 2HB ASP 23 HB1 ASP 23 -1.544 -5.862 1.054 180 H VAL 24 HN VAL 24 0.370 -3.890 3.733 181 HA VAL 24 HA VAL 24 2.246 -3.704 1.622 182 HB VAL 24 HB VAL 24 1.873 -1.402 1.653 183 1HG1 VAL 24 3HG1 VAL 24 0.516 -1.336 3.611 184 2HG1 VAL 24 2HG1 VAL 24 1.937 -1.508 4.651 185 3HG1 VAL 24 1HG1 VAL 24 1.715 -0.032 3.682 186 1HG2 VAL 24 1HG2 VAL 24 4.197 -1.860 3.515 187 2HG2 VAL 24 3HG2 VAL 24 4.245 -1.878 1.753 188 3HG2 VAL 24 2HG2 VAL 24 3.902 -0.373 2.612 189 H SER 25 HN SER 25 3.689 -4.963 2.045 190 HA SER 25 HA SER 25 4.181 -5.911 4.734 191 1HB SER 25 HB2 SER 25 5.413 -6.744 2.097 192 2HB SER 25 HB1 SER 25 5.366 -7.691 3.579 193 HG SER 25 HG SER 25 2.848 -7.033 2.957 194 H ILE 26 HN ILE 26 5.820 -5.182 5.940 195 HA ILE 26 HA ILE 26 7.702 -3.267 4.754 196 HB ILE 26 HB ILE 26 6.818 -3.710 7.614 197 1HG1 ILE 26 2HG1 ILE 26 5.041 -2.711 6.318 198 2HG1 ILE 26 1HG1 ILE 26 5.718 -1.502 7.407 199 1HG2 ILE 26 3HG2 ILE 26 9.092 -2.902 7.597 200 2HG2 ILE 26 2HG2 ILE 26 8.628 -1.574 6.534 201 3HG2 ILE 26 1HG2 ILE 26 7.990 -1.653 8.176 202 1HD1 ILE 26 3HD1 ILE 26 6.999 -0.591 5.518 203 2HD1 ILE 26 2HD1 ILE 26 6.211 -1.783 4.471 204 3HD1 ILE 26 1HD1 ILE 26 5.247 -0.540 5.259 205 H GLU 27 HN GLU 27 9.802 -3.809 4.654 206 HA GLU 27 HA GLU 27 10.779 -6.045 6.297 207 1HB GLU 27 HB2 GLU 27 10.516 -6.894 4.070 208 2HB GLU 27 HB1 GLU 27 11.283 -5.483 3.370 209 1HG GLU 27 HG2 GLU 27 12.815 -7.309 3.266 210 2HG GLU 27 HG1 GLU 27 13.399 -6.160 4.447 211 H HIS 28 HN HIS 28 12.944 -5.884 6.920 212 HA HIS 28 HA HIS 28 14.251 -3.279 6.507 213 1HB HIS 28 HB2 HIS 28 13.989 -4.710 9.158 214 2HB HIS 28 HB1 HIS 28 15.037 -3.337 8.874 215 HD1 HIS 28 HD1 HIS 28 14.010 -1.397 10.056 216 HD2 HIS 28 HD2 HIS 28 11.234 -3.756 8.137 217 HE1 HIS 28 HE1 HIS 28 11.770 -0.307 10.505 218 H LYS 29 HN LYS 29 15.948 -3.847 5.461 219 HA LYS 29 HA LYS 29 17.400 -6.281 6.278 220 1HB LYS 29 HB2 LYS 29 17.373 -4.924 3.619 221 2HB LYS 29 HB1 LYS 29 18.491 -6.186 4.032 222 1HG LYS 29 HG2 LYS 29 16.149 -7.479 4.423 223 2HG LYS 29 HG1 LYS 29 15.657 -6.260 3.249 224 1HD LYS 29 HD2 LYS 29 18.014 -8.061 2.989 225 2HD LYS 29 HD1 LYS 29 16.480 -8.299 2.114 226 1HE LYS 29 HE2 LYS 29 16.849 -6.171 0.947 227 2HE LYS 29 HE1 LYS 29 18.310 -5.878 1.879 228 1HZ LYS 29 HZ3 LYS 29 19.221 -7.942 0.795 229 2HZ LYS 29 HZ2 LYS 29 17.877 -7.931 -0.222 230 3HZ LYS 29 HZ1 LYS 29 18.931 -6.630 -0.227 231 H HIS 30 HN HIS 30 19.572 -6.167 6.196 232 HA HIS 30 HA HIS 30 20.706 -3.507 5.964 233 1HB HIS 30 HB2 HIS 30 22.391 -4.014 7.704 234 2HB HIS 30 HB1 HIS 30 20.746 -3.971 8.334 235 HD1 HIS 30 HD1 HIS 30 23.775 -6.083 8.286 236 HD2 HIS 30 HD2 HIS 30 19.696 -6.643 8.857 237 HE1 HIS 30 HE1 HIS 30 23.535 -8.291 9.462 238 H GLU 31 HN GLU 31 21.849 -3.468 4.160 239 HA GLU 31 HA GLU 31 23.429 -5.855 3.671 240 1HB GLU 31 HB2 GLU 31 23.048 -5.646 1.272 241 2HB GLU 31 HB1 GLU 31 21.551 -5.811 2.172 242 1HG GLU 31 HG2 GLU 31 21.149 -3.425 1.949 243 2HG GLU 31 HG1 GLU 31 22.618 -3.298 0.969 244 H LYS 32 HN LYS 32 25.439 -5.622 3.165 245 HA LYS 32 HA LYS 32 26.493 -2.941 3.176 246 1HB LYS 32 HB2 LYS 32 27.678 -5.627 3.637 247 2HB LYS 32 HB1 LYS 32 28.709 -4.245 3.405 248 1HG LYS 32 HG2 LYS 32 27.528 -3.167 5.271 249 2HG LYS 32 HG1 LYS 32 26.725 -4.678 5.649 250 1HD LYS 32 HD2 LYS 32 29.640 -3.937 5.816 251 2HD LYS 32 HD1 LYS 32 28.605 -4.664 7.037 252 1HE LYS 32 HE2 LYS 32 28.516 -6.736 5.648 253 2HE LYS 32 HE1 LYS 32 29.636 -5.919 4.549 254 1HZ LYS 32 HZ1 LYS 32 30.275 -6.483 7.401 255 2HZ LYS 32 HZ3 LYS 32 30.722 -7.464 6.099 256 3HZ LYS 32 HZ2 LYS 32 31.326 -5.902 6.205 257 H VAL 33 HN VAL 33 26.934 -2.030 1.395 258 HA VAL 33 HA VAL 33 27.451 -3.706 -0.985 259 HB VAL 33 HB VAL 33 26.359 -0.858 -1.197 260 1HG1 VAL 33 3HG1 VAL 33 26.470 -3.138 -3.007 261 2HG1 VAL 33 2HG1 VAL 33 25.669 -1.560 -3.282 262 3HG1 VAL 33 1HG1 VAL 33 27.403 -1.647 -2.953 263 1HG2 VAL 33 1HG2 VAL 33 24.910 -2.257 0.246 264 2HG2 VAL 33 3HG2 VAL 33 24.236 -1.599 -1.224 265 3HG2 VAL 33 2HG2 VAL 33 24.663 -3.332 -1.163 266 H PHE 34 HN PHE 34 29.384 -3.338 -2.083 267 HA PHE 34 HA PHE 34 31.246 -1.571 -0.829 268 1HB PHE 34 HB2 PHE 34 31.477 -3.242 -3.327 269 2HB PHE 34 HB1 PHE 34 32.795 -2.339 -2.594 270 HD1 PHE 34 HD1 PHE 34 33.300 -2.869 -0.131 271 HD2 PHE 34 HD2 PHE 34 31.099 -5.424 -2.702 272 HE1 PHE 34 HE1 PHE 34 33.858 -4.794 1.314 273 HE2 PHE 34 HE2 PHE 34 31.616 -7.336 -1.262 274 HZ PHE 34 HZ PHE 34 33.007 -7.026 0.752 275 H SER 35 HN SER 35 29.372 -1.590 -3.780 276 HA SER 35 HA SER 35 30.192 1.179 -4.143 277 1HB SER 35 HB2 SER 35 31.013 -0.237 -5.974 278 2HB SER 35 HB1 SER 35 29.370 -0.846 -6.244 279 HG SER 35 HG SER 35 29.675 1.912 -6.281 280 H MET 36 HN MET 36 28.579 2.397 -3.501 281 HA MET 36 HA MET 36 25.938 1.547 -3.062 282 1HB MET 36 HB2 MET 36 27.195 4.227 -3.341 283 2HB MET 36 HB1 MET 36 25.453 4.106 -3.230 284 1HG MET 36 HG2 MET 36 26.550 2.505 -1.179 285 2HG MET 36 HG1 MET 36 27.392 4.084 -1.209 286 1HE MET 36 HE2 MET 36 23.924 3.240 -2.386 287 2HE MET 36 HE1 MET 36 23.739 2.362 -0.887 288 3HE MET 36 HE3 MET 36 22.814 3.861 -1.179 289 H ASP 37 HN ASP 37 27.565 2.676 -5.783 290 HA ASP 37 HA ASP 37 25.397 3.439 -7.410 291 1HB ASP 37 HB2 ASP 37 27.704 3.925 -8.057 292 2HB ASP 37 HB1 ASP 37 28.029 2.206 -8.262 293 H ASP 38 HN ASP 38 26.828 0.307 -6.711 294 HA ASP 38 HA ASP 38 25.359 -1.237 -8.612 295 1HB ASP 38 HB2 ASP 38 27.453 -2.053 -7.511 296 2HB ASP 38 HB1 ASP 38 26.561 -2.024 -5.985 297 H PHE 39 HN PHE 39 24.953 -0.253 -5.283 298 HA PHE 39 HA PHE 39 22.831 -1.785 -4.561 299 1HB PHE 39 HB2 PHE 39 24.072 -0.570 -2.931 300 2HB PHE 39 HB1 PHE 39 23.655 0.964 -3.678 301 HD1 PHE 39 HD1 PHE 39 21.578 1.969 -3.288 302 HD2 PHE 39 HD2 PHE 39 22.427 -1.830 -1.631 303 HE1 PHE 39 HE1 PHE 39 19.644 2.191 -1.820 304 HE2 PHE 39 HE2 PHE 39 20.509 -1.628 -0.130 305 HZ PHE 39 HZ PHE 39 19.091 0.402 -0.243 306 H TRP 40 HN TRP 40 23.035 1.485 -5.953 307 HA TRP 40 HA TRP 40 20.288 2.068 -6.007 308 1HB TRP 40 HB2 TRP 40 22.484 3.243 -7.721 309 2HB TRP 40 HB1 TRP 40 20.861 3.909 -7.568 310 HD1 TRP 40 HD1 TRP 40 24.099 4.689 -6.388 311 HE1 TRP 40 HE1 TRP 40 24.116 5.758 -4.056 312 HE3 TRP 40 HE3 TRP 40 19.348 3.516 -4.945 313 HZ2 TRP 40 HZ2 TRP 40 22.322 6.077 -1.896 314 HZ3 TRP 40 HZ3 TRP 40 18.584 4.233 -2.735 315 HH2 TRP 40 HH2 TRP 40 20.036 5.485 -1.248 316 H ALA 41 HN ALA 41 22.398 0.652 -8.359 317 HA ALA 41 HA ALA 41 20.454 0.568 -10.430 318 1HB ALA 41 HB1 ALA 41 21.993 -0.970 -11.547 319 2HB ALA 41 HB3 ALA 41 22.862 0.414 -10.880 320 3HB ALA 41 HB2 ALA 41 22.913 -1.138 -10.049 321 H ALA 42 HN ALA 42 21.321 -1.544 -7.798 322 HA ALA 42 HA ALA 42 19.840 -3.787 -8.614 323 1HB ALA 42 HB2 ALA 42 20.629 -2.875 -5.862 324 2HB ALA 42 HB1 ALA 42 20.064 -4.497 -6.283 325 3HB ALA 42 HB3 ALA 42 21.590 -3.884 -6.928 326 H TYR 43 HN TYR 43 18.943 -0.906 -6.703 327 HA TYR 43 HA TYR 43 16.239 -2.012 -6.488 328 1HB TYR 43 HB2 TYR 43 17.647 0.106 -4.895 329 2HB TYR 43 HB1 TYR 43 15.943 -0.240 -4.761 330 HD1 TYR 43 HD1 TYR 43 15.122 -2.094 -3.612 331 HD2 TYR 43 HD2 TYR 43 19.306 -1.683 -4.145 332 HE1 TYR 43 HE1 TYR 43 15.484 -3.890 -2.011 333 HE2 TYR 43 HE2 TYR 43 19.677 -3.503 -2.520 334 HH TYR 43 HH TYR 43 18.551 -4.588 -0.733 335 H ALA 44 HN ALA 44 17.701 -0.303 -8.694 336 HA ALA 44 HA ALA 44 16.529 2.113 -8.919 337 1HB ALA 44 HB3 ALA 44 17.098 0.243 -11.202 338 2HB ALA 44 HB1 ALA 44 18.259 1.303 -10.408 339 3HB ALA 44 HB2 ALA 44 16.915 1.994 -11.324 340 H GLY 45 HN GLY 45 14.913 -0.927 -9.433 341 1HA GLY 45 HA1 GLY 45 12.764 -1.447 -10.186 342 2HA GLY 45 HA2 GLY 45 12.657 0.177 -10.847 343 H TRP 46 HN TRP 46 13.471 -0.316 -7.470 344 HA TRP 46 HA TRP 46 10.842 -0.106 -6.409 345 1HB TRP 46 HB2 TRP 46 13.542 0.458 -5.172 346 2HB TRP 46 HB1 TRP 46 12.033 0.259 -4.303 347 HD1 TRP 46 HD1 TRP 46 14.181 -1.900 -6.709 348 HE1 TRP 46 HE1 TRP 46 14.239 -4.289 -5.763 349 HE3 TRP 46 HE3 TRP 46 11.267 -1.186 -2.605 350 HZ2 TRP 46 HZ2 TRP 46 13.191 -5.676 -3.559 351 HZ3 TRP 46 HZ3 TRP 46 10.845 -3.075 -1.126 352 HH2 TRP 46 HH2 TRP 46 11.794 -5.282 -1.593 353 H THR 47 HN THR 47 10.079 1.834 -5.223 354 HA THR 47 HA THR 47 10.938 4.277 -6.448 355 HB THR 47 HB THR 47 8.767 3.617 -4.463 356 HG1 THR 47 HG1 THR 47 8.957 3.274 -7.124 357 1HG2 THR 47 3HG2 THR 47 9.248 6.121 -6.076 358 2HG2 THR 47 2HG2 THR 47 7.832 5.803 -5.055 359 3HG2 THR 47 1HG2 THR 47 9.437 5.937 -4.328 360 H LEU 48 HN LEU 48 12.568 5.308 -5.525 361 HA LEU 48 HA LEU 48 13.481 4.831 -2.862 362 1HB LEU 48 HB2 LEU 48 14.931 5.429 -4.837 363 2HB LEU 48 HB1 LEU 48 14.209 7.012 -4.852 364 HG LEU 48 HG LEU 48 16.571 6.808 -3.919 365 1HD1 LEU 48 1HD1 LEU 48 15.231 8.799 -3.503 366 2HD1 LEU 48 3HD1 LEU 48 14.607 8.051 -2.016 367 3HD1 LEU 48 2HD1 LEU 48 16.342 8.385 -2.207 368 1HD2 LEU 48 1HD2 LEU 48 16.256 4.791 -2.621 369 2HD2 LEU 48 3HD2 LEU 48 16.839 6.132 -1.637 370 3HD2 LEU 48 2HD2 LEU 48 15.142 5.655 -1.551 371 H VAL 49 HN VAL 49 12.348 5.563 -1.198 372 HA VAL 49 HA VAL 49 10.625 7.856 -1.597 373 HB VAL 49 HB VAL 49 10.866 6.165 0.947 374 1HG1 VAL 49 2HG1 VAL 49 8.770 8.107 0.061 375 2HG1 VAL 49 1HG1 VAL 49 8.717 7.091 1.505 376 3HG1 VAL 49 3HG1 VAL 49 9.960 8.332 1.349 377 1HG2 VAL 49 3HG2 VAL 49 8.920 5.949 -1.330 378 2HG2 VAL 49 2HG2 VAL 49 10.203 4.800 -0.945 379 3HG2 VAL 49 1HG2 VAL 49 8.865 5.039 0.182 380 H GLU 50 HN GLU 50 13.323 6.830 0.454 381 HA GLU 50 HA GLU 50 14.425 9.427 0.304 382 1HB GLU 50 HB2 GLU 50 14.458 9.944 2.694 383 2HB GLU 50 HB1 GLU 50 12.817 9.890 2.061 384 1HG GLU 50 HG2 GLU 50 12.530 7.725 3.051 385 2HG GLU 50 HG1 GLU 50 14.187 7.752 3.658 386 H GLN 51 HN GLN 51 16.467 9.527 1.284 387 HA GLN 51 HA GLN 51 17.530 7.084 2.369 388 1HB GLN 51 HB2 GLN 51 19.515 7.247 0.932 389 2HB GLN 51 HB1 GLN 51 18.019 6.924 0.051 390 1HG GLN 51 HG2 GLN 51 17.918 9.150 -0.750 391 2HG GLN 51 HG1 GLN 51 19.267 9.638 0.279 392 1HE2 GLN 51 1HE2 GLN 51 18.313 7.793 -2.441 393 2HE2 GLN 51 2HE2 GLN 51 19.894 7.569 -3.114 394 H LYS 52 HN LYS 52 19.085 7.396 3.770 395 HA LYS 52 HA LYS 52 20.298 9.991 4.065 396 1HB LYS 52 HB2 LYS 52 20.075 9.577 6.596 397 2HB LYS 52 HB1 LYS 52 18.655 10.203 5.747 398 1HG LYS 52 HG2 LYS 52 17.828 7.855 5.655 399 2HG LYS 52 HG1 LYS 52 19.170 7.376 6.686 400 1HD LYS 52 HD2 LYS 52 17.260 7.659 8.071 401 2HD LYS 52 HD1 LYS 52 18.335 9.022 8.374 402 1HE LYS 52 HE2 LYS 52 17.026 10.344 6.764 403 2HE LYS 52 HE1 LYS 52 15.934 8.968 6.600 404 1HZ LYS 52 HZ3 LYS 52 15.391 9.188 8.971 405 2HZ LYS 52 HZ2 LYS 52 16.459 10.488 9.098 406 3HZ LYS 52 HZ1 LYS 52 15.070 10.639 8.167 407 H LYS 53 HN LYS 53 22.298 9.666 5.504 408 HA LYS 53 HA LYS 53 23.796 7.740 4.179 409 1HB LYS 53 HB2 LYS 53 24.692 9.818 5.235 410 2HB LYS 53 HB1 LYS 53 24.581 9.010 6.798 411 1HG LYS 53 HG2 LYS 53 26.820 8.825 6.055 412 2HG LYS 53 HG1 LYS 53 26.082 7.231 5.856 413 1HD LYS 53 HD2 LYS 53 25.667 7.772 3.467 414 2HD LYS 53 HD1 LYS 53 26.518 9.298 3.699 415 1HE LYS 53 HE2 LYS 53 28.512 7.984 4.395 416 2HE LYS 53 HE1 LYS 53 27.638 6.515 3.955 417 1HZ LYS 53 HZ3 LYS 53 27.381 7.615 1.686 418 2HZ LYS 53 HZ2 LYS 53 28.501 8.735 2.241 419 3HZ LYS 53 HZ1 LYS 53 28.961 7.135 2.088 420 H GLY 54 HN GLY 54 23.353 5.676 4.315 421 1HA GLY 54 HA1 GLY 54 23.759 4.460 6.924 422 2HA GLY 54 HA2 GLY 54 24.014 3.668 5.380 423 H TYR 55 HN TYR 55 21.001 5.446 5.496 424 HA TYR 55 HA TYR 55 19.703 2.889 5.706 425 1HB TYR 55 HB2 TYR 55 19.356 3.732 7.873 426 2HB TYR 55 HB1 TYR 55 19.189 5.385 7.314 427 HD1 TYR 55 HD1 TYR 55 17.454 2.249 7.958 428 HD2 TYR 55 HD2 TYR 55 17.236 6.069 6.275 429 HE1 TYR 55 HE1 TYR 55 14.986 2.053 7.949 430 HE2 TYR 55 HE2 TYR 55 14.752 5.967 6.234 431 HH TYR 55 HH TYR 55 13.030 4.259 6.233 432 H VAL 56 HN VAL 56 18.329 2.610 4.097 433 HA VAL 56 HA VAL 56 17.491 4.957 2.574 434 HB VAL 56 HB VAL 56 18.483 2.331 1.428 435 1HG1 VAL 56 2HG1 VAL 56 17.367 4.761 0.051 436 2HG1 VAL 56 1HG1 VAL 56 18.091 3.371 -0.759 437 3HG1 VAL 56 3HG1 VAL 56 16.595 3.179 0.156 438 1HG2 VAL 56 3HG2 VAL 56 20.270 3.891 2.129 439 2HG2 VAL 56 2HG2 VAL 56 20.225 3.672 0.374 440 3HG2 VAL 56 1HG2 VAL 56 19.554 5.130 1.100 441 H LEU 57 HN LEU 57 15.399 4.976 1.983 442 HA LEU 57 HA LEU 57 13.787 2.669 2.747 443 1HB LEU 57 HB2 LEU 57 13.162 4.431 4.137 444 2HB LEU 57 HB1 LEU 57 13.356 5.621 2.874 445 HG LEU 57 HG LEU 57 11.315 4.761 1.800 446 1HD1 LEU 57 1HD1 LEU 57 11.343 2.552 2.518 447 2HD1 LEU 57 3HD1 LEU 57 10.800 3.074 4.155 448 3HD1 LEU 57 2HD1 LEU 57 9.857 3.474 2.684 449 1HD2 LEU 57 1HD2 LEU 57 11.034 5.705 4.634 450 2HD2 LEU 57 3HD2 LEU 57 11.028 6.690 3.166 451 3HD2 LEU 57 2HD2 LEU 57 9.704 5.586 3.490 452 H PHE 58 HN PHE 58 13.074 1.544 1.135 453 HA PHE 58 HA PHE 58 12.369 2.803 -1.445 454 1HB PHE 58 HB2 PHE 58 13.925 0.317 -0.879 455 2HB PHE 58 HB1 PHE 58 12.850 0.333 -2.257 456 HD1 PHE 58 HD1 PHE 58 16.083 1.114 -1.057 457 HD2 PHE 58 HD2 PHE 58 13.200 2.157 -3.971 458 HE1 PHE 58 HE1 PHE 58 17.849 2.092 -2.462 459 HE2 PHE 58 HE2 PHE 58 14.952 3.163 -5.371 460 HZ PHE 58 HZ PHE 58 17.283 3.124 -4.617 461 H ARG 59 HN ARG 59 10.542 2.157 -2.360 462 HA ARG 59 HA ARG 59 9.109 -0.018 -1.039 463 1HB ARG 59 HB2 ARG 59 6.980 1.110 -1.482 464 2HB ARG 59 HB1 ARG 59 8.018 2.046 -0.422 465 1HG ARG 59 HG2 ARG 59 8.632 3.494 -2.286 466 2HG ARG 59 HG1 ARG 59 7.591 2.527 -3.342 467 1HD ARG 59 HD2 ARG 59 6.605 4.642 -2.525 468 2HD ARG 59 HD1 ARG 59 5.636 3.206 -2.194 469 HE ARG 59 HE ARG 59 7.071 3.447 0.075 470 1HH1 ARG 59 1HH1 ARG 59 5.160 5.919 -1.634 471 2HH1 ARG 59 2HH1 ARG 59 4.700 6.694 -0.201 472 1HH2 ARG 59 1HH2 ARG 59 6.490 4.468 1.919 473 2HH2 ARG 59 2HH2 ARG 59 5.495 5.880 1.913 474 H LYS 60 HN LYS 60 8.201 -1.470 -2.314 475 HA LYS 60 HA LYS 60 8.447 -1.039 -5.197 476 1HB LYS 60 HB2 LYS 60 10.069 -2.641 -4.621 477 2HB LYS 60 HB1 LYS 60 8.987 -3.494 -3.518 478 1HG LYS 60 HG2 LYS 60 9.185 -4.902 -5.384 479 2HG LYS 60 HG1 LYS 60 7.672 -4.053 -5.671 480 1HD LYS 60 HD2 LYS 60 8.924 -4.131 -7.734 481 2HD LYS 60 HD1 LYS 60 8.926 -2.470 -7.139 482 1HE LYS 60 HE2 LYS 60 11.135 -2.595 -6.396 483 2HE LYS 60 HE1 LYS 60 11.202 -4.334 -6.521 484 1HZ LYS 60 HZ3 LYS 60 10.889 -2.490 -8.830 485 2HZ LYS 60 HZ2 LYS 60 12.344 -3.266 -8.365 486 3HZ LYS 60 HZ1 LYS 60 11.030 -4.159 -8.892 487 H GLN 61 HN GLN 61 6.751 -1.289 -6.314 488 HA GLN 61 HA GLN 61 4.349 -2.206 -4.918 489 1HB GLN 61 HB2 GLN 61 3.873 -0.240 -6.989 490 2HB GLN 61 HB1 GLN 61 3.363 -0.211 -5.305 491 1HG GLN 61 HG2 GLN 61 5.729 0.479 -4.751 492 2HG GLN 61 HG1 GLN 61 5.973 0.749 -6.458 493 1HE2 GLN 61 1HE2 GLN 61 4.681 1.752 -3.615 494 2HE2 GLN 61 2HE2 GLN 61 4.016 3.296 -4.068 495 H MET 62 HN MET 62 4.236 -4.129 -5.770 496 HA MET 62 HA MET 62 4.664 -4.638 -8.571 497 1HB MET 62 HB2 MET 62 3.913 -6.379 -6.210 498 2HB MET 62 HB1 MET 62 4.077 -7.006 -7.843 499 1HG MET 62 HG2 MET 62 6.384 -6.478 -7.917 500 2HG MET 62 HG1 MET 62 6.278 -5.512 -6.452 501 1HE MET 62 HE2 MET 62 6.262 -6.461 -4.032 502 2HE MET 62 HE1 MET 62 4.714 -7.243 -4.365 503 3HE MET 62 HE3 MET 62 6.038 -8.154 -3.631 504 H ASP 63 HN ASP 63 3.062 -5.169 -10.023 505 HA ASP 63 HA ASP 63 0.594 -3.869 -9.334 506 1HB ASP 63 HB2 ASP 63 1.675 -4.741 -11.998 507 2HB ASP 63 HB1 ASP 63 0.034 -4.142 -11.803 508 H ASP 64 HN ASP 64 -0.207 -5.314 -7.926 509 HA ASP 64 HA ASP 64 -2.415 -6.638 -8.844 510 1HB ASP 64 HB2 ASP 64 -0.784 -8.462 -9.538 511 2HB ASP 64 HB1 ASP 64 -0.281 -8.594 -7.862 512 H ILE 65 HN ILE 65 -3.395 -7.791 -6.894 513 HA ILE 65 HA ILE 65 -2.682 -6.176 -4.553 514 HB ILE 65 HB ILE 65 -4.803 -6.831 -3.564 515 1HG1 ILE 65 2HG1 ILE 65 -5.308 -8.407 -6.090 516 2HG1 ILE 65 1HG1 ILE 65 -4.922 -9.111 -4.527 517 1HG2 ILE 65 1HG2 ILE 65 -4.999 -5.813 -6.377 518 2HG2 ILE 65 3HG2 ILE 65 -6.356 -5.816 -5.251 519 3HG2 ILE 65 2HG2 ILE 65 -4.914 -4.879 -4.876 520 1HD1 ILE 65 3HD1 ILE 65 -7.359 -7.456 -5.127 521 2HD1 ILE 65 2HD1 ILE 65 -7.325 -9.211 -4.997 522 3HD1 ILE 65 1HD1 ILE 65 -6.973 -8.211 -3.583 523 H SER 66 HN SER 66 -3.075 -7.410 -2.430 524 HA SER 66 HA SER 66 -1.146 -9.497 -2.378 525 1HB SER 66 HB2 SER 66 -1.659 -9.531 0.088 526 2HB SER 66 HB1 SER 66 -1.232 -7.937 -0.534 527 HG SER 66 HG SER 66 -3.252 -7.259 -0.262 528 HA PRO 67 HA PRO 67 -3.548 -13.112 -3.088 529 1HB PRO 67 HB2 PRO 67 -2.436 -14.816 -1.209 530 2HB PRO 67 HB1 PRO 67 -1.743 -14.476 -2.794 531 1HG PRO 67 HG2 PRO 67 -1.068 -13.283 -0.136 532 2HG PRO 67 HG1 PRO 67 0.018 -13.779 -1.444 533 1HD PRO 67 HD2 PRO 67 -0.564 -11.213 -1.066 534 2HD PRO 67 HD1 PRO 67 -0.438 -11.882 -2.706 535 H LEU 68 HN LEU 68 -3.125 -12.276 0.311 536 HA LEU 68 HA LEU 68 -5.312 -13.826 1.225 537 1HB LEU 68 HB2 LEU 68 -3.249 -12.745 2.506 538 2HB LEU 68 HB1 LEU 68 -4.356 -11.411 2.721 539 HG LEU 68 HG LEU 68 -4.295 -12.848 4.702 540 1HD1 LEU 68 1HD1 LEU 68 -6.411 -11.735 4.234 541 2HD1 LEU 68 3HD1 LEU 68 -6.922 -13.129 3.277 542 3HD1 LEU 68 2HD1 LEU 68 -6.655 -13.306 5.006 543 1HD2 LEU 68 2HD2 LEU 68 -3.693 -14.943 3.575 544 2HD2 LEU 68 1HD2 LEU 68 -5.077 -15.137 4.660 545 3HD2 LEU 68 3HD2 LEU 68 -5.331 -15.043 2.923 546 H SER 69 HN SER 69 -4.977 -10.515 0.080 547 HA SER 69 HA SER 69 -7.555 -9.767 0.815 548 1HB SER 69 HB2 SER 69 -5.611 -8.637 -1.159 549 2HB SER 69 HB1 SER 69 -7.194 -7.912 -0.838 550 HG SER 69 HG SER 69 -5.170 -7.289 0.498 551 H LYS 70 HN LYS 70 -6.439 -11.683 -1.819 552 HA LYS 70 HA LYS 70 -8.815 -11.387 -3.387 553 1HB LYS 70 HB2 LYS 70 -6.886 -13.708 -3.366 554 2HB LYS 70 HB1 LYS 70 -7.957 -13.226 -4.679 555 1HG LYS 70 HG2 LYS 70 -6.693 -11.133 -4.894 556 2HG LYS 70 HG1 LYS 70 -5.585 -11.696 -3.645 557 1HD LYS 70 HD2 LYS 70 -5.064 -13.642 -5.087 558 2HD LYS 70 HD1 LYS 70 -6.077 -12.925 -6.349 559 1HE LYS 70 HE2 LYS 70 -4.649 -10.846 -6.065 560 2HE LYS 70 HE1 LYS 70 -3.557 -11.860 -5.145 561 1HZ LYS 70 HZ2 LYS 70 -4.378 -12.400 -7.929 562 2HZ LYS 70 HZ1 LYS 70 -2.922 -11.700 -7.510 563 3HZ LYS 70 HZ3 LYS 70 -3.256 -13.309 -7.086 564 H VAL 71 HN VAL 71 -7.859 -13.245 -0.619 565 HA VAL 71 HA VAL 71 -10.075 -15.111 -0.927 566 HB VAL 71 HB VAL 71 -9.148 -16.466 0.764 567 1HG1 VAL 71 2HG1 VAL 71 -7.726 -16.481 -1.159 568 2HG1 VAL 71 1HG1 VAL 71 -6.805 -15.136 -0.464 569 3HG1 VAL 71 3HG1 VAL 71 -6.782 -16.710 0.328 570 1HG2 VAL 71 3HG2 VAL 71 -8.935 -14.800 2.541 571 2HG2 VAL 71 2HG2 VAL 71 -7.474 -15.793 2.421 572 3HG2 VAL 71 1HG2 VAL 71 -7.504 -14.161 1.739 573 H ASN 72 HN ASN 72 -9.073 -12.439 0.949 574 HA ASN 72 HA ASN 72 -11.370 -12.523 2.735 575 1HB ASN 72 HB2 ASN 72 -9.126 -11.886 3.550 576 2HB ASN 72 HB1 ASN 72 -9.127 -10.503 2.474 577 1HD2 ASN 72 1HD2 ASN 72 -10.391 -11.901 5.321 578 2HD2 ASN 72 2HD2 ASN 72 -11.076 -10.480 6.009 579 H GLY 73 HN GLY 73 -10.021 -9.758 0.997 580 1HA GLY 73 HA1 GLY 73 -12.304 -9.487 -0.717 581 2HA GLY 73 HA2 GLY 73 -10.877 -8.471 -0.676 582 H TYR 74 HN TYR 74 -11.706 -8.167 2.374 583 HA TYR 74 HA TYR 74 -14.206 -6.818 2.063 584 1HB TYR 74 HB2 TYR 74 -12.637 -7.647 4.487 585 2HB TYR 74 HB1 TYR 74 -14.071 -6.640 4.560 586 HD1 TYR 74 HD1 TYR 74 -16.187 -7.654 3.418 587 HD2 TYR 74 HD2 TYR 74 -12.854 -9.939 4.685 588 HE1 TYR 74 HE1 TYR 74 -17.612 -9.614 3.583 589 HE2 TYR 74 HE2 TYR 74 -14.276 -11.929 4.844 590 HH TYR 74 HH TYR 74 -16.655 -12.434 5.144 591 H ILE 75 HN ILE 75 -13.996 -5.047 1.398 592 HA ILE 75 HA ILE 75 -11.905 -3.230 2.107 593 HB ILE 75 HB ILE 75 -14.244 -3.407 0.390 594 1HG1 ILE 75 2HG1 ILE 75 -11.362 -2.974 -0.289 595 2HG1 ILE 75 1HG1 ILE 75 -12.192 -4.522 -0.214 596 1HG2 ILE 75 3HG2 ILE 75 -14.154 -0.967 1.106 597 2HG2 ILE 75 2HG2 ILE 75 -12.447 -0.896 0.682 598 3HG2 ILE 75 1HG2 ILE 75 -13.657 -1.058 -0.580 599 1HD1 ILE 75 3HD1 ILE 75 -13.633 -3.731 -2.126 600 2HD1 ILE 75 2HD1 ILE 75 -12.724 -2.233 -2.162 601 3HD1 ILE 75 1HD1 ILE 75 -11.927 -3.749 -2.547 602 H GLY 76 HN GLY 76 -12.291 -1.441 3.417 603 1HA GLY 76 HA1 GLY 76 -12.965 -1.509 5.769 604 2HA GLY 76 HA2 GLY 76 -14.585 -1.855 5.178 605 H VAL 77 HN VAL 77 -15.841 -0.318 4.533 606 HA VAL 77 HA VAL 77 -14.681 2.320 4.601 607 HB VAL 77 HB VAL 77 -17.200 1.406 3.272 608 1HG1 VAL 77 3HG1 VAL 77 -15.923 4.138 3.313 609 2HG1 VAL 77 2HG1 VAL 77 -17.273 3.666 2.283 610 3HG1 VAL 77 1HG1 VAL 77 -17.467 3.699 4.042 611 1HG2 VAL 77 1HG2 VAL 77 -14.552 2.274 2.150 612 2HG2 VAL 77 3HG2 VAL 77 -15.242 0.655 2.089 613 3HG2 VAL 77 2HG2 VAL 77 -15.982 1.976 1.178 614 H SER 78 HN SER 78 -15.145 3.580 6.053 615 HA SER 78 HA SER 78 -16.897 2.673 8.193 616 1HB SER 78 HB2 SER 78 -15.022 5.038 8.127 617 2HB SER 78 HB1 SER 78 -15.725 4.266 9.547 618 HG SER 78 HG SER 78 -14.486 2.431 8.048 619 H ASP 79 HN ASP 79 -18.181 4.546 9.295 620 HA ASP 79 HA ASP 79 -20.270 5.152 7.552 621 1HB ASP 79 HB2 ASP 79 -20.560 4.911 9.979 622 2HB ASP 79 HB1 ASP 79 -19.721 6.437 10.231 623 H ASN 80 HN ASN 80 -17.524 7.149 8.307 624 HA ASN 80 HA ASN 80 -18.698 9.504 7.113 625 1HB ASN 80 HB2 ASN 80 -15.939 8.936 8.151 626 2HB ASN 80 HB1 ASN 80 -16.279 10.381 7.219 627 1HD2 ASN 80 1HD2 ASN 80 -16.620 8.774 10.211 628 2HD2 ASN 80 2HD2 ASN 80 -17.357 10.086 11.059 629 H GLY 81 HN GLY 81 -17.701 6.774 5.710 630 1HA GLY 81 HA1 GLY 81 -17.230 8.075 3.176 631 2HA GLY 81 HA2 GLY 81 -17.526 6.363 3.462 632 H VAL 82 HN VAL 82 -15.633 6.077 5.427 633 HA VAL 82 HA VAL 82 -13.083 6.908 4.363 634 HB VAL 82 HB VAL 82 -13.649 4.970 6.610 635 1HG1 VAL 82 2HG1 VAL 82 -11.414 4.739 5.703 636 2HG1 VAL 82 1HG1 VAL 82 -11.137 6.473 5.896 637 3HG1 VAL 82 3HG1 VAL 82 -11.369 5.448 7.320 638 1HG2 VAL 82 1HG2 VAL 82 -13.129 7.933 6.631 639 2HG2 VAL 82 3HG2 VAL 82 -14.642 7.120 7.009 640 3HG2 VAL 82 2HG2 VAL 82 -13.247 6.913 8.077 641 H ILE 83 HN ILE 83 -12.104 5.963 2.845 642 HA ILE 83 HA ILE 83 -12.979 3.470 1.758 643 HB ILE 83 HB ILE 83 -11.020 5.414 0.457 644 1HG1 ILE 83 2HG1 ILE 83 -13.131 6.526 0.869 645 2HG1 ILE 83 1HG1 ILE 83 -13.031 6.129 -0.843 646 1HG2 ILE 83 3HG2 ILE 83 -12.691 3.136 -0.681 647 2HG2 ILE 83 2HG2 ILE 83 -11.720 4.246 -1.649 648 3HG2 ILE 83 1HG2 ILE 83 -10.942 3.137 -0.514 649 1HD1 ILE 83 2HD1 ILE 83 -14.472 4.185 -0.466 650 2HD1 ILE 83 1HD1 ILE 83 -14.560 4.595 1.246 651 3HD1 ILE 83 3HD1 ILE 83 -15.266 5.675 0.038 652 H SER 84 HN SER 84 -11.866 2.759 3.937 653 HA SER 84 HA SER 84 -9.000 2.252 3.493 654 1HB SER 84 HB2 SER 84 -9.647 3.212 5.666 655 2HB SER 84 HB1 SER 84 -10.819 1.919 5.901 656 HG SER 84 HG SER 84 -8.071 1.955 6.139 657 H THR 85 HN THR 85 -8.318 -0.012 4.004 658 HA THR 85 HA THR 85 -10.465 -1.903 3.559 659 HB THR 85 HB THR 85 -8.719 -3.498 2.723 660 HG1 THR 85 HG1 THR 85 -6.793 -2.153 1.909 661 1HG2 THR 85 1HG2 THR 85 -10.089 -2.212 1.154 662 2HG2 THR 85 3HG2 THR 85 -8.890 -0.915 1.175 663 3HG2 THR 85 2HG2 THR 85 -8.466 -2.499 0.523 664 H PHE 86 HN PHE 86 -10.590 -3.645 4.895 665 HA PHE 86 HA PHE 86 -8.938 -3.461 7.286 666 1HB PHE 86 HB2 PHE 86 -11.884 -4.089 6.967 667 2HB PHE 86 HB1 PHE 86 -10.991 -4.554 8.399 668 HD1 PHE 86 HD1 PHE 86 -11.805 -3.293 10.115 669 HD2 PHE 86 HD2 PHE 86 -10.945 -1.392 6.435 670 HE1 PHE 86 HE1 PHE 86 -12.331 -1.122 11.144 671 HE2 PHE 86 HE2 PHE 86 -11.484 0.813 7.450 672 HZ PHE 86 HZ PHE 86 -12.172 0.937 9.804 673 H HIS 87 HN HIS 87 -9.030 -5.671 8.406 674 HA HIS 87 HA HIS 87 -8.839 -7.716 6.321 675 1HB HIS 87 HB2 HIS 87 -6.833 -7.258 7.839 676 2HB HIS 87 HB1 HIS 87 -7.812 -7.865 9.169 677 HD1 HIS 87 HD1 HIS 87 -5.471 -8.979 6.572 678 HD2 HIS 87 HD2 HIS 87 -8.576 -10.669 8.771 679 HE1 HIS 87 HE1 HIS 87 -5.130 -11.452 6.467 680 H GLY 88 HN GLY 88 -10.818 -8.456 6.128 681 1HA GLY 88 HA1 GLY 88 -12.168 -9.558 8.503 682 2HA GLY 88 HA2 GLY 88 -12.555 -9.963 6.831 683 H ARG 89 HN ARG 89 -14.708 -9.441 8.084 684 HA ARG 89 HA ARG 89 -16.008 -7.273 7.051 685 1HB ARG 89 HB2 ARG 89 -16.492 -8.520 9.764 686 2HB ARG 89 HB1 ARG 89 -17.580 -7.393 8.975 687 1HG ARG 89 HG2 ARG 89 -16.842 -9.903 7.566 688 2HG ARG 89 HG1 ARG 89 -18.026 -9.950 8.877 689 1HD ARG 89 HD2 ARG 89 -19.433 -8.400 7.712 690 2HD ARG 89 HD1 ARG 89 -18.313 -8.138 6.415 691 HE ARG 89 HE ARG 89 -19.239 -10.847 6.967 692 1HH1 ARG 89 1HH1 ARG 89 -19.158 -8.090 4.749 693 2HH1 ARG 89 2HH1 ARG 89 -20.080 -8.847 3.532 694 1HH2 ARG 89 1HH2 ARG 89 -20.545 -11.897 5.267 695 2HH2 ARG 89 2HH2 ARG 89 -20.894 -11.033 3.851 696 HA PRO 90 HA PRO 90 -13.949 -3.886 9.065 697 1HB PRO 90 HB2 PRO 90 -15.766 -1.984 8.161 698 2HB PRO 90 HB1 PRO 90 -14.320 -2.511 7.299 699 1HG PRO 90 HG2 PRO 90 -17.150 -3.280 6.894 700 2HG PRO 90 HG1 PRO 90 -15.868 -3.213 5.697 701 1HD PRO 90 HD2 PRO 90 -16.857 -5.477 6.800 702 2HD PRO 90 HD1 PRO 90 -15.224 -5.411 6.146 703 H GLU 91 HN GLU 91 -14.240 -4.162 11.113 704 HA GLU 91 HA GLU 91 -16.534 -2.925 12.385 705 1HB GLU 91 HB2 GLU 91 -16.669 -4.850 13.988 706 2HB GLU 91 HB1 GLU 91 -17.001 -5.333 12.342 707 1HG GLU 91 HG2 GLU 91 -14.760 -6.247 12.137 708 2HG GLU 91 HG1 GLU 91 -14.410 -5.714 13.785 709 HA PRO 92 HA PRO 92 -13.327 -1.135 14.888 710 1HB PRO 92 HB2 PRO 92 -14.224 -1.453 17.446 711 2HB PRO 92 HB1 PRO 92 -14.785 -0.163 16.362 712 1HG PRO 92 HG2 PRO 92 -16.071 -2.727 17.149 713 2HG PRO 92 HG1 PRO 92 -16.821 -1.173 16.756 714 1HD PRO 92 HD2 PRO 92 -16.721 -3.328 15.082 715 2HD PRO 92 HD1 PRO 92 -16.862 -1.643 14.502 716 H ALA 93 HN ALA 93 -14.180 -4.380 15.463 717 HA ALA 93 HA ALA 93 -11.877 -4.887 17.135 718 1HB ALA 93 HB2 ALA 93 -13.972 -6.055 17.546 719 2HB ALA 93 HB3 ALA 93 -12.665 -7.193 17.184 720 3HB ALA 93 HB1 ALA 93 -13.881 -6.805 15.956 721 H SER 94 HN SER 94 -12.404 -4.381 13.952 722 HA SER 94 HA SER 94 -10.124 -6.055 13.190 723 1HB SER 94 HB2 SER 94 -12.179 -6.467 11.834 724 2HB SER 94 HB1 SER 94 -12.235 -4.759 11.411 725 HG SER 94 HG SER 94 -10.916 -6.714 10.190 726 H GLU 95 HN GLU 95 -8.811 -4.753 11.393 727 HA GLU 95 HA GLU 95 -8.404 -2.128 12.634 728 1HB GLU 95 HB2 GLU 95 -6.048 -2.312 12.246 729 2HB GLU 95 HB1 GLU 95 -6.577 -3.778 13.061 730 1HG GLU 95 HG2 GLU 95 -6.553 -4.989 10.961 731 2HG GLU 95 HG1 GLU 95 -6.143 -3.496 10.115 732 HA PRO 96 HA PRO 96 -8.557 -0.562 8.389 733 1HB PRO 96 HB2 PRO 96 -7.367 1.895 9.391 734 2HB PRO 96 HB1 PRO 96 -9.011 1.651 8.803 735 1HG PRO 96 HG2 PRO 96 -8.405 2.174 11.393 736 2HG PRO 96 HG1 PRO 96 -9.840 1.256 10.871 737 1HD PRO 96 HD2 PRO 96 -7.232 0.249 11.968 738 2HD PRO 96 HD1 PRO 96 -8.899 -0.299 12.286 739 H ILE 97 HN ILE 97 -7.006 -1.039 7.108 740 HA ILE 97 HA ILE 97 -4.342 -1.584 8.103 741 HB ILE 97 HB ILE 97 -5.423 -1.821 5.276 742 1HG1 ILE 97 2HG1 ILE 97 -5.019 -4.007 7.325 743 2HG1 ILE 97 1HG1 ILE 97 -6.548 -3.160 7.108 744 1HG2 ILE 97 2HG2 ILE 97 -2.973 -1.716 5.311 745 2HG2 ILE 97 1HG2 ILE 97 -2.930 -3.004 6.516 746 3HG2 ILE 97 3HG2 ILE 97 -3.527 -3.335 4.887 747 1HD1 ILE 97 2HD1 ILE 97 -5.149 -4.734 4.948 748 2HD1 ILE 97 1HD1 ILE 97 -6.488 -5.313 5.960 749 3HD1 ILE 97 3HD1 ILE 97 -6.739 -3.947 4.886 750 H GLN 98 HN GLN 98 -5.784 0.764 5.985 751 HA GLN 98 HA GLN 98 -3.629 2.643 6.276 752 1HB GLN 98 HB2 GLN 98 -2.989 2.784 3.990 753 2HB GLN 98 HB1 GLN 98 -3.120 1.050 4.207 754 1HG GLN 98 HG2 GLN 98 -5.174 2.862 2.915 755 2HG GLN 98 HG1 GLN 98 -4.084 1.758 2.093 756 1HE2 GLN 98 1HE2 GLN 98 -4.469 -0.393 3.949 757 2HE2 GLN 98 2HE2 GLN 98 -6.087 -0.987 3.657 758 H SER 99 HN SER 99 -4.603 4.625 4.692 759 HA SER 99 HA SER 99 -7.430 4.261 4.528 760 1HB SER 99 HB2 SER 99 -6.133 6.565 6.008 761 2HB SER 99 HB1 SER 99 -7.817 6.590 5.491 762 HG SER 99 HG SER 99 -6.620 4.692 7.249 763 H PHE 100 HN PHE 100 -7.816 4.634 2.392 764 HA PHE 100 HA PHE 100 -6.038 6.205 0.832 765 1HB PHE 100 HB2 PHE 100 -8.631 4.839 0.147 766 2HB PHE 100 HB1 PHE 100 -7.762 5.828 -1.015 767 HD1 PHE 100 HD1 PHE 100 -7.972 2.626 0.617 768 HD2 PHE 100 HD2 PHE 100 -5.464 5.151 -1.702 769 HE1 PHE 100 HE1 PHE 100 -6.597 0.682 -0.009 770 HE2 PHE 100 HE2 PHE 100 -4.080 3.217 -2.331 771 HZ PHE 100 HZ PHE 100 -4.648 0.975 -1.483 772 H PHE 101 HN PHE 101 -9.576 6.688 1.295 773 HA PHE 101 HA PHE 101 -9.141 9.530 1.487 774 1HB PHE 101 HB2 PHE 101 -9.086 8.907 -0.999 775 2HB PHE 101 HB1 PHE 101 -10.758 8.406 -0.829 776 HD1 PHE 101 HD1 PHE 101 -12.435 9.956 -1.250 777 HD2 PHE 101 HD2 PHE 101 -8.525 11.330 -0.325 778 HE1 PHE 101 HE1 PHE 101 -13.133 12.268 -1.734 779 HE2 PHE 101 HE2 PHE 101 -9.218 13.634 -0.811 780 HZ PHE 101 HZ PHE 101 -11.525 14.102 -1.514 781 H GLN 102 HN GLN 102 -11.563 10.580 1.623 782 HA GLN 102 HA GLN 102 -13.366 8.672 2.840 783 1HB GLN 102 HB2 GLN 102 -12.100 9.987 4.517 784 2HB GLN 102 HB1 GLN 102 -12.672 11.473 3.782 785 1HG GLN 102 HG2 GLN 102 -14.909 10.621 4.079 786 2HG GLN 102 HG1 GLN 102 -14.227 9.348 5.101 787 1HE2 GLN 102 1HE2 GLN 102 -13.172 9.973 7.053 788 2HE2 GLN 102 2HE2 GLN 102 -13.516 11.496 7.770 789 H ILE 103 HN ILE 103 -15.369 8.921 2.038 790 HA ILE 103 HA ILE 103 -16.078 11.315 0.423 791 HB ILE 103 HB ILE 103 -17.210 9.835 -1.283 792 1HG1 ILE 103 2HG1 ILE 103 -16.042 7.570 0.342 793 2HG1 ILE 103 1HG1 ILE 103 -17.733 8.040 0.399 794 1HG2 ILE 103 1HG2 ILE 103 -14.910 10.462 -1.676 795 2HG2 ILE 103 3HG2 ILE 103 -14.368 9.026 -0.806 796 3HG2 ILE 103 2HG2 ILE 103 -15.280 8.860 -2.307 797 1HD1 ILE 103 3HD1 ILE 103 -17.908 7.584 -1.977 798 2HD1 ILE 103 2HD1 ILE 103 -16.239 6.992 -1.976 799 3HD1 ILE 103 1HD1 ILE 103 -17.490 6.165 -1.017 800 H ASP 104 HN ASP 104 -18.560 11.527 0.196 801 HA ASP 104 HA ASP 104 -19.704 11.035 2.764 802 1HB ASP 104 HB2 ASP 104 -20.506 12.516 0.318 803 2HB ASP 104 HB1 ASP 104 -21.808 11.926 1.324 804 H LEU 105 HN LEU 105 -20.550 9.168 3.343 805 HA LEU 105 HA LEU 105 -21.295 7.236 1.360 806 1HB LEU 105 HB2 LEU 105 -21.695 7.250 4.336 807 2HB LEU 105 HB1 LEU 105 -22.286 5.980 3.300 808 HG LEU 105 HG LEU 105 -19.509 6.627 4.130 809 1HD1 LEU 105 1HD1 LEU 105 -21.232 4.177 4.003 810 2HD1 LEU 105 3HD1 LEU 105 -19.550 4.162 4.526 811 3HD1 LEU 105 2HD1 LEU 105 -20.762 5.068 5.447 812 1HD2 LEU 105 2HD2 LEU 105 -20.261 4.938 1.743 813 2HD2 LEU 105 1HD2 LEU 105 -19.379 6.468 1.679 814 3HD2 LEU 105 3HD2 LEU 105 -18.661 5.053 2.445 815 H GLU 106 HN GLU 106 -22.887 9.588 3.330 816 HA GLU 106 HA GLU 106 -25.488 8.663 2.786 817 1HB GLU 106 HB2 GLU 106 -26.217 10.938 3.501 818 2HB GLU 106 HB1 GLU 106 -25.170 10.108 4.644 819 1HG GLU 106 HG2 GLU 106 -23.310 11.417 3.980 820 2HG GLU 106 HG1 GLU 106 -24.217 12.205 2.705 821 H ARG 107 HN ARG 107 -23.200 10.274 0.828 822 HA ARG 107 HA ARG 107 -25.242 11.093 -1.071 823 1HB ARG 107 HB2 ARG 107 -23.612 12.383 -2.119 824 2HB ARG 107 HB1 ARG 107 -22.972 12.321 -0.483 825 1HG ARG 107 HG2 ARG 107 -21.448 10.601 -1.077 826 2HG ARG 107 HG1 ARG 107 -22.143 10.567 -2.707 827 1HD ARG 107 HD2 ARG 107 -20.775 12.975 -1.456 828 2HD ARG 107 HD1 ARG 107 -20.020 11.877 -2.604 829 HE ARG 107 HE ARG 107 -22.400 12.762 -3.620 830 1HH1 ARG 107 1HH1 ARG 107 -19.315 14.155 -2.697 831 2HH1 ARG 107 2HH1 ARG 107 -19.282 15.315 -3.953 832 1HH2 ARG 107 1HH2 ARG 107 -22.371 14.271 -5.364 833 2HH2 ARG 107 2HH2 ARG 107 -21.086 15.391 -5.531 834 H LEU 108 HN LEU 108 -23.231 8.488 -0.306 835 HA LEU 108 HA LEU 108 -23.013 7.186 -2.769 836 1HB LEU 108 HB2 LEU 108 -22.711 6.279 -0.015 837 2HB LEU 108 HB1 LEU 108 -23.368 5.030 -1.070 838 HG LEU 108 HG LEU 108 -21.743 5.592 -2.595 839 1HD1 LEU 108 1HD1 LEU 108 -20.940 7.705 -1.660 840 2HD1 LEU 108 3HD1 LEU 108 -20.360 6.773 -0.252 841 3HD1 LEU 108 2HD1 LEU 108 -19.605 6.533 -1.834 842 1HD2 LEU 108 1HD2 LEU 108 -21.522 3.576 -1.349 843 2HD2 LEU 108 3HD2 LEU 108 -19.960 4.205 -1.823 844 3HD2 LEU 108 2HD2 LEU 108 -20.475 4.399 -0.161 845 H GLU 109 HN GLU 109 -24.051 5.711 -3.819 846 HA GLU 109 HA GLU 109 -26.868 6.017 -3.882 847 1HB GLU 109 HB2 GLU 109 -25.019 4.214 -5.436 848 2HB GLU 109 HB1 GLU 109 -26.717 4.489 -5.818 849 1HG GLU 109 HG2 GLU 109 -26.341 6.736 -6.380 850 2HG GLU 109 HG1 GLU 109 -24.755 6.742 -5.616 851 H SER 110 HN SER 110 -27.480 5.288 -1.926 852 HA SER 110 HA SER 110 -28.241 3.964 -0.318 853 1HB SER 110 HB2 SER 110 -29.158 2.359 -2.696 854 2HB SER 110 HB1 SER 110 -29.885 2.344 -1.085 855 HG SER 110 HG SER 110 -30.488 3.929 -3.043 856 H HIS 111 HN HIS 111 -27.585 1.171 -2.375 857 HA HIS 111 HA HIS 111 -26.679 -0.198 -0.022 858 1HB HIS 111 HB2 HIS 111 -26.692 -2.251 -1.405 859 2HB HIS 111 HB1 HIS 111 -28.226 -1.398 -1.455 860 HD1 HIS 111 HD1 HIS 111 -25.912 -3.072 -3.665 861 HD2 HIS 111 HD2 HIS 111 -28.357 0.286 -3.940 862 HE1 HIS 111 HE1 HIS 111 -26.220 -2.625 -6.104 863 H MET 112 HN MET 112 -25.131 1.397 -2.540 864 HA MET 112 HA MET 112 -22.753 -0.043 -2.807 865 1HB MET 112 HB2 MET 112 -23.353 2.898 -2.933 866 2HB MET 112 HB1 MET 112 -21.706 2.329 -3.107 867 1HG MET 112 HG2 MET 112 -24.007 1.471 -4.852 868 2HG MET 112 HG1 MET 112 -22.871 2.759 -5.249 869 1HE MET 112 HE1 MET 112 -20.261 2.375 -5.627 870 2HE MET 112 HE3 MET 112 -20.155 1.559 -4.071 871 3HE MET 112 HE2 MET 112 -19.469 0.806 -5.511 872 H GLN 113 HN GLN 113 -23.424 2.550 -0.542 873 HA GLN 113 HA GLN 113 -20.986 2.269 0.804 874 1HB GLN 113 HB2 GLN 113 -22.160 3.622 2.619 875 2HB GLN 113 HB1 GLN 113 -21.944 4.400 1.045 876 1HG GLN 113 HG2 GLN 113 -24.060 4.660 0.858 877 2HG GLN 113 HG1 GLN 113 -24.211 2.926 1.168 878 1HE2 GLN 113 1HE2 GLN 113 -24.285 6.042 2.416 879 2HE2 GLN 113 2HE2 GLN 113 -24.935 5.707 3.997 880 H LYS 114 HN LYS 114 -24.215 0.910 1.410 881 HA LYS 114 HA LYS 114 -23.758 -0.160 3.961 882 1HB LYS 114 HB2 LYS 114 -25.540 -1.209 1.764 883 2HB LYS 114 HB1 LYS 114 -25.669 -1.600 3.471 884 1HG LYS 114 HG2 LYS 114 -25.988 1.154 2.336 885 2HG LYS 114 HG1 LYS 114 -27.327 0.062 2.635 886 1HD LYS 114 HD2 LYS 114 -26.707 0.024 5.041 887 2HD LYS 114 HD1 LYS 114 -25.386 1.143 4.690 888 1HE LYS 114 HE2 LYS 114 -27.055 2.763 3.829 889 2HE LYS 114 HE1 LYS 114 -28.335 1.670 4.344 890 1HZ LYS 114 HZ2 LYS 114 -27.521 1.888 6.630 891 2HZ LYS 114 HZ1 LYS 114 -26.333 2.965 6.121 892 3HZ LYS 114 HZ3 LYS 114 -27.952 3.383 5.973 893 H ASN 115 HN ASN 115 -23.066 -1.405 0.733 894 HA ASN 115 HA ASN 115 -22.389 -4.006 1.633 895 1HB ASN 115 HB2 ASN 115 -21.734 -2.551 -0.932 896 2HB ASN 115 HB1 ASN 115 -21.194 -4.196 -0.607 897 1HD2 ASN 115 1HD2 ASN 115 -22.816 -3.341 -2.708 898 2HD2 ASN 115 2HD2 ASN 115 -24.341 -4.139 -2.583 899 H LEU 116 HN LEU 116 -20.675 -1.041 1.144 900 HA LEU 116 HA LEU 116 -18.084 -2.135 1.596 901 1HB LEU 116 HB2 LEU 116 -19.010 0.708 1.916 902 2HB LEU 116 HB1 LEU 116 -17.361 0.116 1.727 903 HG LEU 116 HG LEU 116 -19.450 -0.208 -0.432 904 1HD1 LEU 116 3HD1 LEU 116 -19.148 2.136 0.055 905 2HD1 LEU 116 2HD1 LEU 116 -17.405 1.948 -0.156 906 3HD1 LEU 116 1HD1 LEU 116 -18.493 1.667 -1.509 907 1HD2 LEU 116 2HD2 LEU 116 -16.436 -0.351 -0.448 908 2HD2 LEU 116 1HD2 LEU 116 -17.537 -1.730 -0.534 909 3HD2 LEU 116 3HD2 LEU 116 -17.500 -0.545 -1.841 910 H LEU 117 HN LEU 117 -20.650 -0.999 3.661 911 HA LEU 117 HA LEU 117 -19.191 -0.662 6.062 912 1HB LEU 117 HB2 LEU 117 -22.044 -1.588 5.765 913 2HB LEU 117 HB1 LEU 117 -21.324 -0.926 7.212 914 HG LEU 117 HG LEU 117 -21.971 0.525 4.664 915 1HD1 LEU 117 3HD1 LEU 117 -23.875 0.057 6.098 916 2HD1 LEU 117 2HD1 LEU 117 -23.035 0.802 7.454 917 3HD1 LEU 117 1HD1 LEU 117 -23.503 1.782 6.067 918 1HD2 LEU 117 1HD2 LEU 117 -19.906 1.357 5.546 919 2HD2 LEU 117 3HD2 LEU 117 -21.208 2.526 5.752 920 3HD2 LEU 117 2HD2 LEU 117 -20.644 1.584 7.146 921 H LYS 118 HN LYS 118 -20.756 -3.399 4.542 922 HA LYS 118 HA LYS 118 -20.073 -5.297 6.669 923 1HB LYS 118 HB2 LYS 118 -20.850 -5.849 3.840 924 2HB LYS 118 HB1 LYS 118 -20.951 -6.943 5.208 925 1HG LYS 118 HG2 LYS 118 -22.753 -5.899 6.082 926 2HG LYS 118 HG1 LYS 118 -22.342 -4.391 5.246 927 1HD LYS 118 HD2 LYS 118 -24.207 -5.300 4.121 928 2HD LYS 118 HD1 LYS 118 -22.819 -5.561 3.111 929 1HE LYS 118 HE2 LYS 118 -24.039 -7.614 3.090 930 2HE LYS 118 HE1 LYS 118 -22.552 -7.835 4.000 931 1HZ LYS 118 HZ2 LYS 118 -23.851 -7.535 6.062 932 2HZ LYS 118 HZ1 LYS 118 -25.264 -7.488 5.177 933 3HZ LYS 118 HZ3 LYS 118 -24.326 -8.886 5.188 934 H GLY 119 HN GLY 119 -19.015 -4.265 3.614 935 1HA GLY 119 HA1 GLY 119 -16.503 -5.723 3.963 936 2HA GLY 119 HA2 GLY 119 -16.753 -4.321 2.916 937 H ILE 120 HN ILE 120 -16.112 -5.376 1.075 938 HA ILE 120 HA ILE 120 -18.180 -6.945 -0.132 939 HB ILE 120 HB ILE 120 -15.468 -6.256 -1.318 940 1HG1 ILE 120 2HG1 ILE 120 -16.465 -4.163 -0.587 941 2HG1 ILE 120 1HG1 ILE 120 -16.601 -4.276 -2.338 942 1HG2 ILE 120 1HG2 ILE 120 -16.789 -7.943 -2.525 943 2HG2 ILE 120 3HG2 ILE 120 -18.150 -6.822 -2.582 944 3HG2 ILE 120 2HG2 ILE 120 -16.666 -6.444 -3.454 945 1HD1 ILE 120 3HD1 ILE 120 -18.952 -5.020 -2.043 946 2HD1 ILE 120 2HD1 ILE 120 -18.752 -4.756 -0.306 947 3HD1 ILE 120 1HD1 ILE 120 -18.647 -3.391 -1.412 948 HA PRO 121 HA PRO 121 -16.267 -10.709 1.311 949 1HB PRO 121 HB2 PRO 121 -17.850 -12.489 0.061 950 2HB PRO 121 HB1 PRO 121 -18.429 -11.492 1.403 951 1HG PRO 121 HG2 PRO 121 -18.780 -11.071 -1.546 952 2HG PRO 121 HG1 PRO 121 -19.993 -10.962 -0.257 953 1HD PRO 121 HD2 PRO 121 -18.783 -8.780 -1.291 954 2HD PRO 121 HD1 PRO 121 -19.284 -8.871 0.412 955 H PHE 122 HN PHE 122 -15.581 -9.447 -1.517 956 HA PHE 122 HA PHE 122 -13.750 -11.507 -2.320 957 1HB PHE 122 HB2 PHE 122 -15.815 -12.422 -3.306 958 2HB PHE 122 HB1 PHE 122 -16.100 -10.919 -4.159 959 HD1 PHE 122 HD1 PHE 122 -13.635 -13.686 -3.850 960 HD2 PHE 122 HD2 PHE 122 -15.326 -10.683 -6.349 961 HE1 PHE 122 HE1 PHE 122 -12.409 -14.596 -5.775 962 HE2 PHE 122 HE2 PHE 122 -14.096 -11.583 -8.272 963 HZ PHE 122 HZ PHE 122 -12.641 -13.546 -7.986 964 H ARG 123 HN ARG 123 -12.064 -10.652 -3.534 965 HA ARG 123 HA ARG 123 -12.373 -8.017 -4.735 966 1HB ARG 123 HB2 ARG 123 -11.662 -7.703 -2.360 967 2HB ARG 123 HB1 ARG 123 -10.240 -8.681 -2.697 968 1HG ARG 123 HG2 ARG 123 -9.627 -6.936 -4.422 969 2HG ARG 123 HG1 ARG 123 -10.921 -5.944 -3.744 970 1HD ARG 123 HD2 ARG 123 -8.520 -7.020 -2.264 971 2HD ARG 123 HD1 ARG 123 -8.759 -5.354 -2.763 972 HE ARG 123 HE ARG 123 -10.919 -5.941 -1.195 973 1HH1 ARG 123 1HH1 ARG 123 -7.413 -6.030 -0.707 974 2HH1 ARG 123 2HH1 ARG 123 -7.429 -5.720 0.938 975 1HH2 ARG 123 1HH2 ARG 123 -10.973 -5.507 1.171 976 2HH2 ARG 123 2HH2 ARG 123 -9.538 -5.440 2.050 977 H THR 124 HN THR 124 -10.793 -7.661 -6.327 978 HA THR 124 HA THR 124 -8.645 -9.529 -6.729 979 HB THR 124 HB THR 124 -10.686 -8.925 -8.925 980 HG1 THR 124 HG1 THR 124 -10.684 -10.780 -6.959 981 1HG2 THR 124 1HG2 THR 124 -8.394 -9.387 -9.740 982 2HG2 THR 124 3HG2 THR 124 -8.410 -10.926 -8.876 983 3HG2 THR 124 2HG2 THR 124 -9.524 -10.655 -10.215 984 H LYS 125 HN LYS 125 -7.188 -8.386 -8.705 985 HA LYS 125 HA LYS 125 -6.343 -6.049 -7.832 986 1HB LYS 125 HB2 LYS 125 -5.436 -7.942 -9.235 987 2HB LYS 125 HB1 LYS 125 -6.254 -7.218 -10.588 988 1HG LYS 125 HG2 LYS 125 -4.228 -5.944 -8.890 989 2HG LYS 125 HG1 LYS 125 -3.942 -6.794 -10.436 990 1HD LYS 125 HD2 LYS 125 -5.638 -4.343 -10.065 991 2HD LYS 125 HD1 LYS 125 -3.927 -4.404 -10.485 992 1HE LYS 125 HE2 LYS 125 -4.538 -5.749 -12.488 993 2HE LYS 125 HE1 LYS 125 -6.241 -5.496 -12.080 994 1HZ LYS 125 HZ2 LYS 125 -5.643 -3.009 -12.200 995 2HZ LYS 125 HZ1 LYS 125 -4.251 -3.488 -12.967 996 3HZ LYS 125 HZ3 LYS 125 -5.736 -3.821 -13.680 997 H ALA 126 HN ALA 126 -8.227 -6.750 -10.696 998 HA ALA 126 HA ALA 126 -8.416 -4.015 -11.520 999 1HB ALA 126 HB1 ALA 126 -9.922 -6.437 -12.432 1000 2HB ALA 126 HB2 ALA 126 -8.382 -5.874 -13.077 1001 3HB ALA 126 HB3 ALA 126 -9.847 -4.896 -13.296 1002 H GLU 127 HN GLU 127 -10.192 -6.030 -9.559 1003 HA GLU 127 HA GLU 127 -12.727 -4.707 -9.783 1004 1HB GLU 127 HB2 GLU 127 -11.662 -6.853 -7.982 1005 2HB GLU 127 HB1 GLU 127 -13.359 -6.362 -8.093 1006 1HG GLU 127 HG2 GLU 127 -11.922 -6.979 -10.549 1007 2HG GLU 127 HG1 GLU 127 -12.356 -8.374 -9.626 1008 H PHE 128 HN PHE 128 -9.972 -4.736 -7.621 1009 HA PHE 128 HA PHE 128 -11.163 -3.239 -5.540 1010 1HB PHE 128 HB2 PHE 128 -9.176 -4.518 -5.070 1011 2HB PHE 128 HB1 PHE 128 -8.283 -3.703 -6.348 1012 HD1 PHE 128 HD1 PHE 128 -9.619 -3.418 -2.973 1013 HD2 PHE 128 HD2 PHE 128 -7.442 -1.525 -6.059 1014 HE1 PHE 128 HE1 PHE 128 -8.845 -1.720 -1.358 1015 HE2 PHE 128 HE2 PHE 128 -6.635 0.189 -4.468 1016 HZ PHE 128 HZ PHE 128 -7.348 0.085 -2.107 1017 H GLU 129 HN GLU 129 -8.954 -2.364 -8.176 1018 HA GLU 129 HA GLU 129 -9.126 0.385 -7.676 1019 1HB GLU 129 HB2 GLU 129 -8.261 0.533 -10.119 1020 2HB GLU 129 HB1 GLU 129 -7.244 -0.229 -8.905 1021 1HG GLU 129 HG2 GLU 129 -7.924 -2.400 -9.635 1022 2HG GLU 129 HG1 GLU 129 -9.056 -1.701 -10.779 1023 H ASP 130 HN ASP 130 -11.231 -1.779 -9.315 1024 HA ASP 130 HA ASP 130 -12.723 0.115 -10.822 1025 1HB ASP 130 HB2 ASP 130 -12.805 -2.289 -11.287 1026 2HB ASP 130 HB1 ASP 130 -13.493 -2.575 -9.711 1027 H VAL 131 HN VAL 131 -13.317 -1.487 -7.720 1028 HA VAL 131 HA VAL 131 -15.609 0.095 -7.192 1029 HB VAL 131 HB VAL 131 -15.387 -2.102 -6.077 1030 1HG1 VAL 131 3HG1 VAL 131 -13.004 -2.161 -5.839 1031 2HG1 VAL 131 2HG1 VAL 131 -13.095 -0.945 -4.564 1032 3HG1 VAL 131 1HG1 VAL 131 -13.820 -2.535 -4.315 1033 1HG2 VAL 131 2HG2 VAL 131 -15.349 0.139 -4.078 1034 2HG2 VAL 131 1HG2 VAL 131 -16.770 -0.457 -4.943 1035 3HG2 VAL 131 3HG2 VAL 131 -15.935 -1.501 -3.783 1036 H ILE 132 HN ILE 132 -12.229 0.434 -6.363 1037 HA ILE 132 HA ILE 132 -12.570 2.646 -4.680 1038 HB ILE 132 HB ILE 132 -10.290 1.216 -5.854 1039 1HG1 ILE 132 2HG1 ILE 132 -9.366 1.457 -3.580 1040 2HG1 ILE 132 1HG1 ILE 132 -10.680 2.545 -3.162 1041 1HG2 ILE 132 3HG2 ILE 132 -9.726 3.373 -6.720 1042 2HG2 ILE 132 2HG2 ILE 132 -9.894 4.104 -5.123 1043 3HG2 ILE 132 1HG2 ILE 132 -8.602 2.934 -5.426 1044 1HD1 ILE 132 1HD1 ILE 132 -10.958 -0.369 -3.889 1045 2HD1 ILE 132 3HD1 ILE 132 -11.057 0.299 -2.262 1046 3HD1 ILE 132 2HD1 ILE 132 -12.277 0.714 -3.464 1047 H GLU 133 HN GLU 133 -12.065 2.470 -8.192 1048 HA GLU 133 HA GLU 133 -11.809 5.274 -8.411 1049 1HB GLU 133 HB2 GLU 133 -12.126 5.037 -10.805 1050 2HB GLU 133 HB1 GLU 133 -11.072 3.754 -10.225 1051 1HG GLU 133 HG2 GLU 133 -12.732 2.173 -10.429 1052 2HG GLU 133 HG1 GLU 133 -13.991 3.386 -10.678 1053 H HIS 134 HN HIS 134 -14.452 3.167 -8.030 1054 HA HIS 134 HA HIS 134 -16.464 4.982 -8.963 1055 1HB HIS 134 HB2 HIS 134 -16.483 2.369 -8.722 1056 2HB HIS 134 HB1 HIS 134 -17.022 2.712 -7.081 1057 HD1 HIS 134 HD1 HIS 134 -18.269 2.223 -10.443 1058 HD2 HIS 134 HD2 HIS 134 -19.485 4.347 -7.084 1059 HE1 HIS 134 HE1 HIS 134 -20.702 2.752 -10.799 1060 H MET 135 HN MET 135 -14.894 4.237 -6.017 1061 HA MET 135 HA MET 135 -16.473 5.757 -4.171 1062 1HB MET 135 HB2 MET 135 -13.520 5.128 -4.044 1063 2HB MET 135 HB1 MET 135 -14.484 5.727 -2.715 1064 1HG MET 135 HG2 MET 135 -14.811 3.048 -4.055 1065 2HG MET 135 HG1 MET 135 -13.957 3.334 -2.546 1066 1HE MET 135 HE1 MET 135 -17.259 2.427 -4.208 1067 2HE MET 135 HE3 MET 135 -18.494 3.051 -3.131 1068 3HE MET 135 HE2 MET 135 -17.596 4.163 -4.165 1069 H LYS 136 HN LYS 136 -13.556 6.501 -5.991 1070 HA LYS 136 HA LYS 136 -13.483 9.201 -5.060 1071 1HB LYS 136 HB2 LYS 136 -11.637 9.573 -6.713 1072 2HB LYS 136 HB1 LYS 136 -11.355 8.281 -5.558 1073 1HG LYS 136 HG2 LYS 136 -11.949 6.667 -7.186 1074 2HG LYS 136 HG1 LYS 136 -12.272 7.920 -8.388 1075 1HD LYS 136 HD2 LYS 136 -10.030 6.927 -8.730 1076 2HD LYS 136 HD1 LYS 136 -9.911 8.626 -8.273 1077 1HE LYS 136 HE2 LYS 136 -9.385 8.024 -6.000 1078 2HE LYS 136 HE1 LYS 136 -9.628 6.319 -6.345 1079 1HZ LYS 136 HZ3 LYS 136 -7.543 8.055 -7.554 1080 2HZ LYS 136 HZ2 LYS 136 -7.268 6.972 -6.306 1081 3HZ LYS 136 HZ1 LYS 136 -7.708 6.404 -7.831 1082 H THR 137 HN THR 137 -15.131 7.586 -7.470 1083 HA THR 137 HA THR 137 -15.687 9.610 -9.227 1084 HB THR 137 HB THR 137 -16.481 6.989 -8.420 1085 HG1 THR 137 HG1 THR 137 -15.353 7.035 -10.104 1086 1HG2 THR 137 3HG2 THR 137 -18.677 8.678 -9.572 1087 2HG2 THR 137 2HG2 THR 137 -18.616 6.868 -9.554 1088 3HG2 THR 137 1HG2 THR 137 -18.492 7.786 -8.041 1089 H TYR 138 HN TYR 138 -16.738 9.000 -5.874 1090 HA TYR 138 HA TYR 138 -18.807 11.016 -6.033 1091 1HB TYR 138 HB2 TYR 138 -17.637 9.431 -3.726 1092 2HB TYR 138 HB1 TYR 138 -18.935 10.598 -3.556 1093 HD1 TYR 138 HD1 TYR 138 -21.111 10.111 -4.463 1094 HD2 TYR 138 HD2 TYR 138 -18.021 7.264 -4.570 1095 HE1 TYR 138 HE1 TYR 138 -22.807 8.324 -4.899 1096 HE2 TYR 138 HE2 TYR 138 -19.638 5.453 -5.007 1097 HH TYR 138 HH TYR 138 -22.724 5.924 -6.024 1098 H SER 139 HN SER 139 -15.805 10.374 -4.309 1099 HA SER 139 HA SER 139 -14.278 11.583 -3.281 1100 1HB SER 139 HB2 SER 139 -13.175 13.307 -4.703 1101 2HB SER 139 HB1 SER 139 -13.330 11.700 -5.397 1102 HG SER 139 HG SER 139 -14.598 12.403 -6.858 1103 H GLY 140 HN GLY 140 -17.032 12.595 -2.594 1104 1HA GLY 140 HA1 GLY 140 -17.543 15.044 -2.356 1105 2HA GLY 140 HA2 GLY 140 -16.018 15.007 -1.443 No H/Q in entry = 1105 Start of MODEL 25 1 H1 ALA 1 HT1 ALA 1 29.812 11.669 4.868 2 H2 ALA 1 HT3 ALA 1 28.550 10.847 5.600 3 H3 ALA 1 HT2 ALA 1 29.991 11.124 6.428 4 HA ALA 1 HA ALA 1 31.174 9.712 4.849 5 1HB ALA 1 HB2 ALA 1 28.723 8.385 6.007 6 2HB ALA 1 HB1 ALA 1 30.189 7.553 5.483 7 3HB ALA 1 HB3 ALA 1 30.237 8.654 6.863 8 H GLU 2 HN GLU 2 31.267 9.506 2.698 9 HA GLU 2 HA GLU 2 28.876 8.785 1.209 10 1HB GLU 2 HB2 GLU 2 29.232 10.661 -0.357 11 2HB GLU 2 HB1 GLU 2 28.812 11.214 1.258 12 1HG GLU 2 HG2 GLU 2 31.204 11.619 1.712 13 2HG GLU 2 HG1 GLU 2 31.576 11.161 0.056 14 H VAL 3 HN VAL 3 29.597 8.707 -1.216 15 HA VAL 3 HA VAL 3 30.551 7.790 -2.779 16 HB VAL 3 HB VAL 3 32.733 8.322 -3.464 17 1HG1 VAL 3 3HG1 VAL 3 31.341 10.626 -2.158 18 2HG1 VAL 3 2HG1 VAL 3 32.603 10.782 -3.380 19 3HG1 VAL 3 1HG1 VAL 3 31.081 9.983 -3.780 20 1HG2 VAL 3 1HG2 VAL 3 34.041 8.051 -1.429 21 2HG2 VAL 3 3HG2 VAL 3 34.313 9.661 -2.095 22 3HG2 VAL 3 2HG2 VAL 3 33.245 9.449 -0.707 23 H GLU 4 HN GLU 4 32.048 6.313 -3.780 24 HA GLU 4 HA GLU 4 31.954 4.008 -2.115 25 1HB GLU 4 HB2 GLU 4 32.357 2.764 -4.252 26 2HB GLU 4 HB1 GLU 4 30.932 3.793 -4.230 27 1HG GLU 4 HG2 GLU 4 32.157 5.484 -5.515 28 2HG GLU 4 HG1 GLU 4 33.545 4.406 -5.580 29 H HIS 5 HN HIS 5 33.631 3.476 -0.955 30 HA HIS 5 HA HIS 5 36.374 4.188 -1.800 31 1HB HIS 5 HB2 HIS 5 35.421 3.143 0.892 32 2HB HIS 5 HB1 HIS 5 37.017 3.676 0.475 33 HD1 HIS 5 HD1 HIS 5 35.712 4.918 2.849 34 HD2 HIS 5 HD2 HIS 5 35.466 6.493 -0.980 35 HE1 HIS 5 HE1 HIS 5 35.231 7.383 3.139 36 H TYR 6 HN TYR 6 37.711 2.280 -0.335 37 HA TYR 6 HA TYR 6 37.276 -0.143 -1.829 38 1HB TYR 6 HB2 TYR 6 39.197 0.497 0.426 39 2HB TYR 6 HB1 TYR 6 39.263 -0.921 -0.605 40 HD1 TYR 6 HD1 TYR 6 39.833 2.705 -0.459 41 HD2 TYR 6 HD2 TYR 6 40.162 -0.787 -2.841 42 HE1 TYR 6 HE1 TYR 6 41.294 3.921 -2.007 43 HE2 TYR 6 HE2 TYR 6 41.630 0.423 -4.407 44 HH TYR 6 HH TYR 6 42.978 3.446 -3.637 45 H GLU 7 HN GLU 7 36.276 1.332 0.933 46 HA GLU 7 HA GLU 7 35.433 -0.939 2.506 47 1HB GLU 7 HB2 GLU 7 34.637 1.981 2.661 48 2HB GLU 7 HB1 GLU 7 34.377 0.765 3.896 49 1HG GLU 7 HG2 GLU 7 36.695 0.657 4.381 50 2HG GLU 7 HG1 GLU 7 37.090 1.648 2.977 51 HA PRO 8 HA PRO 8 31.496 -0.887 0.263 52 1HB PRO 8 HB2 PRO 8 30.103 -2.278 2.278 53 2HB PRO 8 HB1 PRO 8 30.822 -2.979 0.828 54 1HG PRO 8 HG2 PRO 8 31.671 -3.451 3.450 55 2HG PRO 8 HG1 PRO 8 32.608 -3.783 1.989 56 1HD PRO 8 HD2 PRO 8 32.803 -1.509 3.892 57 2HD PRO 8 HD1 PRO 8 34.067 -2.303 2.924 58 H LEU 9 HN LEU 9 29.010 -0.759 1.172 59 HA LEU 9 HA LEU 9 28.916 1.525 3.043 60 1HB LEU 9 HB2 LEU 9 28.554 1.907 0.354 61 2HB LEU 9 HB1 LEU 9 26.991 1.326 0.777 62 HG LEU 9 HG LEU 9 27.013 3.772 0.663 63 1HD1 LEU 9 3HD1 LEU 9 26.477 2.732 3.425 64 2HD1 LEU 9 2HD1 LEU 9 25.927 4.286 2.792 65 3HD1 LEU 9 1HD1 LEU 9 25.353 2.782 2.071 66 1HD2 LEU 9 2HD2 LEU 9 28.908 3.634 2.998 67 2HD2 LEU 9 1HD2 LEU 9 29.284 4.208 1.371 68 3HD2 LEU 9 3HD2 LEU 9 28.143 5.095 2.383 69 H GLN 10 HN GLN 10 27.758 0.829 4.747 70 HA GLN 10 HA GLN 10 25.926 -1.348 4.505 71 1HB GLN 10 HB2 GLN 10 26.762 0.386 6.796 72 2HB GLN 10 HB1 GLN 10 25.477 -0.803 6.939 73 1HG GLN 10 HG2 GLN 10 27.009 -2.539 6.289 74 2HG GLN 10 HG1 GLN 10 28.311 -1.353 6.140 75 1HE2 GLN 10 1HE2 GLN 10 29.471 -2.478 7.596 76 2HE2 GLN 10 2HE2 GLN 10 29.163 -2.446 9.290 77 H VAL 11 HN VAL 11 24.064 -1.084 3.692 78 HA VAL 11 HA VAL 11 22.617 1.409 4.184 79 HB VAL 11 HB VAL 11 21.848 -0.620 2.160 80 1HG1 VAL 11 2HG1 VAL 11 20.266 1.072 2.645 81 2HG1 VAL 11 1HG1 VAL 11 21.446 2.333 2.285 82 3HG1 VAL 11 3HG1 VAL 11 20.874 1.267 0.998 83 1HG2 VAL 11 2HG2 VAL 11 24.185 -0.185 1.646 84 2HG2 VAL 11 1HG2 VAL 11 23.141 0.525 0.421 85 3HG2 VAL 11 3HG2 VAL 11 23.872 1.555 1.650 86 H HIS 12 HN HIS 12 20.914 1.223 5.421 87 HA HIS 12 HA HIS 12 19.698 -1.402 5.777 88 1HB HIS 12 HB2 HIS 12 20.397 -0.216 7.895 89 2HB HIS 12 HB1 HIS 12 19.267 1.076 7.489 90 HD1 HIS 12 HD1 HIS 12 17.202 0.804 8.900 91 HD2 HIS 12 HD2 HIS 12 18.809 -2.835 7.730 92 HE1 HIS 12 HE1 HIS 12 15.621 -0.967 9.760 93 H VAL 13 HN VAL 13 18.342 -1.613 4.277 94 HA VAL 13 HA VAL 13 16.845 0.636 3.158 95 HB VAL 13 HB VAL 13 16.632 -2.135 2.119 96 1HG1 VAL 13 3HG1 VAL 13 15.349 -0.394 1.110 97 2HG1 VAL 13 2HG1 VAL 13 16.808 0.543 0.794 98 3HG1 VAL 13 1HG1 VAL 13 16.551 -0.992 -0.036 99 1HG2 VAL 13 2HG2 VAL 13 19.041 -1.991 2.474 100 2HG2 VAL 13 1HG2 VAL 13 18.666 -1.929 0.751 101 3HG2 VAL 13 3HG2 VAL 13 19.089 -0.452 1.618 102 H GLN 14 HN GLN 14 14.914 0.924 3.804 103 HA GLN 14 HA GLN 14 13.464 -1.245 5.138 104 1HB GLN 14 HB2 GLN 14 13.759 1.153 6.137 105 2HB GLN 14 HB1 GLN 14 12.607 1.656 4.918 106 1HG GLN 14 HG2 GLN 14 12.019 -0.442 7.007 107 2HG GLN 14 HG1 GLN 14 11.674 1.264 7.213 108 1HE2 GLN 14 1HE2 GLN 14 9.941 2.138 6.178 109 2HE2 GLN 14 2HE2 GLN 14 8.773 1.169 5.352 110 H LEU 15 HN LEU 15 12.089 -2.338 3.880 111 HA LEU 15 HA LEU 15 11.356 -1.107 1.324 112 1HB LEU 15 HB2 LEU 15 11.581 -4.025 2.036 113 2HB LEU 15 HB1 LEU 15 11.133 -3.398 0.477 114 HG LEU 15 HG LEU 15 13.817 -3.137 1.820 115 1HD1 LEU 15 2HD1 LEU 15 12.951 -4.721 -0.569 116 2HD1 LEU 15 1HD1 LEU 15 14.603 -4.559 0.019 117 3HD1 LEU 15 3HD1 LEU 15 13.389 -5.361 1.018 118 1HD2 LEU 15 3HD2 LEU 15 12.911 -2.159 -0.883 119 2HD2 LEU 15 2HD2 LEU 15 13.352 -1.153 0.499 120 3HD2 LEU 15 1HD2 LEU 15 14.571 -2.152 -0.291 121 H GLU 16 HN GLU 16 9.394 -0.406 1.330 122 HA GLU 16 HA GLU 16 7.288 -1.639 2.986 123 1HB GLU 16 HB2 GLU 16 7.209 0.787 1.172 124 2HB GLU 16 HB1 GLU 16 5.921 0.266 2.241 125 1HG GLU 16 HG2 GLU 16 7.231 0.784 4.163 126 2HG GLU 16 HG1 GLU 16 8.640 1.165 3.183 127 H LYS 17 HN LYS 17 5.681 -2.774 2.125 128 HA LYS 17 HA LYS 17 5.801 -3.211 -0.794 129 1HB LYS 17 HB2 LYS 17 5.088 -5.184 1.388 130 2HB LYS 17 HB1 LYS 17 5.065 -5.511 -0.334 131 1HG LYS 17 HG2 LYS 17 7.555 -4.811 1.215 132 2HG LYS 17 HG1 LYS 17 7.024 -6.459 0.890 133 1HD LYS 17 HD2 LYS 17 7.128 -6.000 -1.505 134 2HD LYS 17 HD1 LYS 17 7.710 -4.365 -1.171 135 1HE LYS 17 HE2 LYS 17 9.561 -5.838 -1.748 136 2HE LYS 17 HE1 LYS 17 9.672 -5.310 -0.072 137 1HZ LYS 17 HZ1 LYS 17 8.631 -7.948 -0.969 138 2HZ LYS 17 HZ3 LYS 17 10.167 -7.689 -0.351 139 3HZ LYS 17 HZ2 LYS 17 8.806 -7.482 0.622 140 H VAL 18 HN VAL 18 4.005 -1.929 -1.418 141 HA VAL 18 HA VAL 18 1.758 -1.988 0.412 142 HB VAL 18 HB VAL 18 1.778 -0.437 -2.208 143 1HG1 VAL 18 1HG1 VAL 18 -0.354 -0.672 -1.224 144 2HG1 VAL 18 3HG1 VAL 18 0.235 0.012 0.294 145 3HG1 VAL 18 2HG1 VAL 18 0.200 1.001 -1.167 146 1HG2 VAL 18 3HG2 VAL 18 2.864 0.536 0.451 147 2HG2 VAL 18 2HG2 VAL 18 3.783 0.277 -1.039 148 3HG2 VAL 18 1HG2 VAL 18 2.575 1.540 -0.974 149 H TYR 19 HN TYR 19 0.562 -3.706 0.263 150 HA TYR 19 HA TYR 19 0.097 -4.900 -2.333 151 1HB TYR 19 HB2 TYR 19 -0.499 -5.796 0.464 152 2HB TYR 19 HB1 TYR 19 -1.119 -6.632 -0.952 153 HD1 TYR 19 HD1 TYR 19 0.277 -8.012 -2.275 154 HD2 TYR 19 HD2 TYR 19 1.913 -5.772 0.946 155 HE1 TYR 19 HE1 TYR 19 2.306 -9.363 -2.405 156 HE2 TYR 19 HE2 TYR 19 3.975 -7.128 0.836 157 HH TYR 19 HH TYR 19 4.656 -9.223 -1.780 158 H LEU 20 HN LEU 20 -2.023 -5.449 -2.973 159 HA LEU 20 HA LEU 20 -3.766 -3.213 -2.600 160 1HB LEU 20 HB2 LEU 20 -4.138 -5.680 -4.273 161 2HB LEU 20 HB1 LEU 20 -5.084 -4.203 -4.383 162 HG LEU 20 HG LEU 20 -2.206 -4.624 -5.126 163 1HD1 LEU 20 3HD1 LEU 20 -3.809 -5.366 -6.751 164 2HD1 LEU 20 2HD1 LEU 20 -4.611 -3.804 -6.721 165 3HD1 LEU 20 1HD1 LEU 20 -2.962 -3.942 -7.342 166 1HD2 LEU 20 1HD2 LEU 20 -2.418 -2.551 -3.969 167 2HD2 LEU 20 3HD2 LEU 20 -2.118 -2.243 -5.685 168 3HD2 LEU 20 2HD2 LEU 20 -3.753 -2.045 -5.009 169 H ASP 21 HN ASP 21 -3.364 -5.997 -1.098 170 HA ASP 21 HA ASP 21 -6.102 -6.346 -0.189 171 1HB ASP 21 HB2 ASP 21 -5.358 -7.940 1.432 172 2HB ASP 21 HB1 ASP 21 -4.470 -8.211 -0.059 173 H GLY 22 HN GLY 22 -3.457 -4.373 0.798 174 1HA GLY 22 HA1 GLY 22 -5.186 -3.349 2.945 175 2HA GLY 22 HA2 GLY 22 -4.233 -2.316 1.898 176 H ASP 23 HN ASP 23 -2.838 -5.317 3.032 177 HA ASP 23 HA ASP 23 -1.517 -3.922 5.190 178 1HB ASP 23 HB2 ASP 23 -2.165 -6.186 5.688 179 2HB ASP 23 HB1 ASP 23 -1.332 -6.804 4.271 180 H VAL 24 HN VAL 24 0.206 -2.853 4.924 181 HA VAL 24 HA VAL 24 1.943 -3.399 2.654 182 HB VAL 24 HB VAL 24 2.241 -1.177 4.699 183 1HG1 VAL 24 3HG1 VAL 24 4.269 -1.689 3.568 184 2HG1 VAL 24 2HG1 VAL 24 3.475 -1.515 2.011 185 3HG1 VAL 24 1HG1 VAL 24 3.660 -0.107 3.066 186 1HG2 VAL 24 1HG2 VAL 24 0.875 -1.157 2.032 187 2HG2 VAL 24 3HG2 VAL 24 0.104 -0.882 3.593 188 3HG2 VAL 24 2HG2 VAL 24 1.259 0.302 2.948 189 H SER 25 HN SER 25 3.475 -4.730 2.974 190 HA SER 25 HA SER 25 4.137 -5.562 5.639 191 1HB SER 25 HB2 SER 25 5.122 -6.502 2.951 192 2HB SER 25 HB1 SER 25 5.316 -7.360 4.484 193 HG SER 25 HG SER 25 2.749 -6.935 4.344 194 H ILE 26 HN ILE 26 5.695 -4.685 6.710 195 HA ILE 26 HA ILE 26 7.592 -2.941 5.371 196 HB ILE 26 HB ILE 26 7.000 -3.396 8.310 197 1HG1 ILE 26 2HG1 ILE 26 5.166 -2.246 7.277 198 2HG1 ILE 26 1HG1 ILE 26 6.087 -1.057 8.191 199 1HG2 ILE 26 3HG2 ILE 26 9.327 -2.740 8.053 200 2HG2 ILE 26 2HG2 ILE 26 8.832 -1.357 7.074 201 3HG2 ILE 26 1HG2 ILE 26 8.384 -1.434 8.778 202 1HD1 ILE 26 1HD1 ILE 26 7.142 -0.319 6.098 203 2HD1 ILE 26 3HD1 ILE 26 6.126 -1.471 5.218 204 3HD1 ILE 26 2HD1 ILE 26 5.387 -0.137 6.100 205 H GLU 27 HN GLU 27 9.589 -3.513 4.989 206 HA GLU 27 HA GLU 27 10.584 -5.979 6.227 207 1HB GLU 27 HB2 GLU 27 9.837 -6.264 3.911 208 2HB GLU 27 HB1 GLU 27 10.944 -5.000 3.418 209 1HG GLU 27 HG2 GLU 27 11.995 -7.030 2.911 210 2HG GLU 27 HG1 GLU 27 12.786 -6.396 4.337 211 H HIS 28 HN HIS 28 12.766 -6.021 6.639 212 HA HIS 28 HA HIS 28 14.198 -3.495 6.373 213 1HB HIS 28 HB2 HIS 28 14.238 -5.410 8.722 214 2HB HIS 28 HB1 HIS 28 15.355 -4.064 8.528 215 HD1 HIS 28 HD1 HIS 28 12.845 -4.572 10.690 216 HD2 HIS 28 HD2 HIS 28 13.221 -1.868 7.613 217 HE1 HIS 28 HE1 HIS 28 11.337 -2.649 11.316 218 H LYS 29 HN LYS 29 15.988 -3.606 5.318 219 HA LYS 29 HA LYS 29 17.300 -6.204 4.871 220 1HB LYS 29 HB2 LYS 29 16.549 -3.989 3.012 221 2HB LYS 29 HB1 LYS 29 17.853 -5.089 2.612 222 1HG LYS 29 HG2 LYS 29 15.100 -6.079 3.310 223 2HG LYS 29 HG1 LYS 29 15.500 -5.547 1.675 224 1HD LYS 29 HD2 LYS 29 17.010 -7.680 3.187 225 2HD LYS 29 HD1 LYS 29 15.719 -7.996 2.022 226 1HE LYS 29 HE2 LYS 29 16.979 -6.959 0.247 227 2HE LYS 29 HE1 LYS 29 18.238 -6.447 1.354 228 1HZ LYS 29 HZ2 LYS 29 17.570 -9.265 0.732 229 2HZ LYS 29 HZ1 LYS 29 18.857 -8.368 0.097 230 3HZ LYS 29 HZ3 LYS 29 18.818 -8.715 1.739 231 H HIS 30 HN HIS 30 19.469 -6.116 5.301 232 HA HIS 30 HA HIS 30 20.696 -3.472 5.190 233 1HB HIS 30 HB2 HIS 30 22.317 -4.167 6.970 234 2HB HIS 30 HB1 HIS 30 20.664 -4.094 7.546 235 HD1 HIS 30 HD1 HIS 30 19.569 -6.369 8.249 236 HD2 HIS 30 HD2 HIS 30 23.535 -6.657 7.053 237 HE1 HIS 30 HE1 HIS 30 20.368 -8.630 9.022 238 H GLU 31 HN GLU 31 22.185 -3.264 3.648 239 HA GLU 31 HA GLU 31 23.682 -5.657 2.976 240 1HB GLU 31 HB2 GLU 31 23.447 -5.158 0.560 241 2HB GLU 31 HB1 GLU 31 21.934 -5.621 1.333 242 1HG GLU 31 HG2 GLU 31 21.408 -3.140 1.424 243 2HG GLU 31 HG1 GLU 31 22.809 -2.918 0.383 244 H LYS 32 HN LYS 32 25.726 -5.341 2.301 245 HA LYS 32 HA LYS 32 26.693 -2.619 2.539 246 1HB LYS 32 HB2 LYS 32 28.054 -5.264 2.787 247 2HB LYS 32 HB1 LYS 32 28.931 -3.758 2.570 248 1HG LYS 32 HG2 LYS 32 27.923 -2.908 4.607 249 2HG LYS 32 HG1 LYS 32 27.140 -4.440 4.945 250 1HD LYS 32 HD2 LYS 32 30.084 -3.788 4.859 251 2HD LYS 32 HD1 LYS 32 29.137 -4.372 6.224 252 1HE LYS 32 HE2 LYS 32 29.746 -5.845 3.715 253 2HE LYS 32 HE1 LYS 32 30.573 -6.111 5.247 254 1HZ LYS 32 HZ1 LYS 32 28.388 -6.791 6.207 255 2HZ LYS 32 HZ3 LYS 32 27.686 -6.683 4.674 256 3HZ LYS 32 HZ2 LYS 32 28.898 -7.796 4.977 257 H VAL 33 HN VAL 33 26.820 -1.683 0.767 258 HA VAL 33 HA VAL 33 27.476 -3.261 -1.582 259 HB VAL 33 HB VAL 33 25.309 -2.579 -1.997 260 1HG1 VAL 33 3HG1 VAL 33 25.954 0.122 -0.864 261 2HG1 VAL 33 2HG1 VAL 33 24.413 -0.361 -1.601 262 3HG1 VAL 33 1HG1 VAL 33 24.980 -1.163 -0.136 263 1HG2 VAL 33 1HG2 VAL 33 26.768 -1.983 -3.837 264 2HG2 VAL 33 3HG2 VAL 33 25.371 -0.901 -3.726 265 3HG2 VAL 33 2HG2 VAL 33 26.947 -0.378 -3.115 266 H PHE 34 HN PHE 34 29.149 -2.693 -2.829 267 HA PHE 34 HA PHE 34 31.000 -0.862 -1.731 268 1HB PHE 34 HB2 PHE 34 31.074 -2.361 -4.342 269 2HB PHE 34 HB1 PHE 34 32.408 -1.445 -3.665 270 HD1 PHE 34 HD1 PHE 34 32.926 -2.124 -1.119 271 HD2 PHE 34 HD2 PHE 34 31.106 -4.626 -4.035 272 HE1 PHE 34 HE1 PHE 34 33.685 -4.106 0.112 273 HE2 PHE 34 HE2 PHE 34 31.843 -6.617 -2.796 274 HZ PHE 34 HZ PHE 34 33.134 -6.361 -0.720 275 H SER 35 HN SER 35 28.693 -0.647 -4.408 276 HA SER 35 HA SER 35 29.571 2.117 -4.716 277 1HB SER 35 HB2 SER 35 30.414 0.878 -6.627 278 2HB SER 35 HB1 SER 35 28.817 0.195 -6.935 279 HG SER 35 HG SER 35 29.815 2.767 -7.381 280 H MET 36 HN MET 36 27.985 3.422 -4.266 281 HA MET 36 HA MET 36 25.381 2.586 -3.630 282 1HB MET 36 HB2 MET 36 26.567 5.282 -4.167 283 2HB MET 36 HB1 MET 36 24.851 5.101 -3.846 284 1HG MET 36 HG2 MET 36 26.429 3.683 -1.906 285 2HG MET 36 HG1 MET 36 26.893 5.389 -2.005 286 1HE MET 36 HE2 MET 36 23.428 3.934 -2.832 287 2HE MET 36 HE1 MET 36 23.748 2.902 -1.440 288 3HE MET 36 HE3 MET 36 22.482 4.162 -1.379 289 H ASP 37 HN ASP 37 26.801 3.541 -6.533 290 HA ASP 37 HA ASP 37 24.469 4.193 -8.026 291 1HB ASP 37 HB2 ASP 37 26.697 4.821 -8.855 292 2HB ASP 37 HB1 ASP 37 27.104 3.124 -9.045 293 H ASP 38 HN ASP 38 26.127 1.179 -7.364 294 HA ASP 38 HA ASP 38 24.692 -0.502 -9.173 295 1HB ASP 38 HB2 ASP 38 26.853 -1.113 -8.019 296 2HB ASP 38 HB1 ASP 38 25.936 -1.210 -6.519 297 H PHE 39 HN PHE 39 24.342 0.507 -5.873 298 HA PHE 39 HA PHE 39 22.184 -1.076 -5.106 299 1HB PHE 39 HB2 PHE 39 23.641 0.060 -3.542 300 2HB PHE 39 HB1 PHE 39 23.116 1.629 -4.136 301 HD1 PHE 39 HD1 PHE 39 22.347 -1.232 -2.061 302 HD2 PHE 39 HD2 PHE 39 20.884 2.417 -3.610 303 HE1 PHE 39 HE1 PHE 39 20.545 -1.257 -0.380 304 HE2 PHE 39 HE2 PHE 39 19.084 2.423 -1.966 305 HZ PHE 39 HZ PHE 39 18.899 0.584 -0.335 306 H TRP 40 HN TRP 40 22.351 2.262 -6.375 307 HA TRP 40 HA TRP 40 19.577 2.723 -6.358 308 1HB TRP 40 HB2 TRP 40 21.640 3.968 -8.179 309 2HB TRP 40 HB1 TRP 40 20.014 4.588 -7.918 310 HD1 TRP 40 HD1 TRP 40 23.223 5.663 -7.102 311 HE1 TRP 40 HE1 TRP 40 23.467 6.720 -4.780 312 HE3 TRP 40 HE3 TRP 40 18.863 3.993 -4.987 313 HZ2 TRP 40 HZ2 TRP 40 21.995 6.824 -2.369 314 HZ3 TRP 40 HZ3 TRP 40 18.374 4.611 -2.689 315 HH2 TRP 40 HH2 TRP 40 19.883 5.998 -1.409 316 H ALA 41 HN ALA 41 21.686 1.350 -8.729 317 HA ALA 41 HA ALA 41 19.756 1.128 -10.806 318 1HB ALA 41 HB3 ALA 41 21.346 -0.419 -11.860 319 2HB ALA 41 HB2 ALA 41 22.179 1.008 -11.244 320 3HB ALA 41 HB1 ALA 41 22.258 -0.509 -10.353 321 H ALA 42 HN ALA 42 20.649 -0.860 -8.103 322 HA ALA 42 HA ALA 42 19.207 -3.164 -8.812 323 1HB ALA 42 HB3 ALA 42 19.920 -2.175 -6.054 324 2HB ALA 42 HB2 ALA 42 19.472 -3.829 -6.480 325 3HB ALA 42 HB1 ALA 42 20.977 -3.132 -7.085 326 H TYR 43 HN TYR 43 18.278 -0.228 -7.014 327 HA TYR 43 HA TYR 43 15.583 -1.344 -6.772 328 1HB TYR 43 HB2 TYR 43 16.955 0.848 -5.219 329 2HB TYR 43 HB1 TYR 43 15.289 0.361 -5.015 330 HD1 TYR 43 HD1 TYR 43 14.679 -1.621 -3.860 331 HD2 TYR 43 HD2 TYR 43 18.787 -0.747 -4.484 332 HE1 TYR 43 HE1 TYR 43 15.274 -3.385 -2.288 333 HE2 TYR 43 HE2 TYR 43 19.410 -2.522 -2.887 334 HH TYR 43 HH TYR 43 18.535 -3.892 -1.141 335 H ALA 44 HN ALA 44 17.050 0.186 -9.034 336 HA ALA 44 HA ALA 44 15.592 2.467 -9.407 337 1HB ALA 44 HB1 ALA 44 16.780 0.692 -11.513 338 2HB ALA 44 HB2 ALA 44 17.600 2.037 -10.696 339 3HB ALA 44 HB3 ALA 44 16.213 2.340 -11.763 340 H GLY 45 HN GLY 45 13.620 1.701 -8.772 341 1HA GLY 45 HA1 GLY 45 12.045 -0.163 -10.183 342 2HA GLY 45 HA2 GLY 45 11.692 1.481 -10.729 343 H TRP 46 HN TRP 46 12.628 0.295 -7.499 344 HA TRP 46 HA TRP 46 10.161 0.524 -6.190 345 1HB TRP 46 HB2 TRP 46 12.954 1.025 -5.122 346 2HB TRP 46 HB1 TRP 46 11.527 0.656 -4.177 347 HD1 TRP 46 HD1 TRP 46 13.558 -1.136 -6.977 348 HE1 TRP 46 HE1 TRP 46 13.793 -3.603 -6.305 349 HE3 TRP 46 HE3 TRP 46 10.958 -1.025 -2.613 350 HZ2 TRP 46 HZ2 TRP 46 12.982 -5.282 -4.211 351 HZ3 TRP 46 HZ3 TRP 46 10.725 -3.092 -1.342 352 HH2 TRP 46 HH2 TRP 46 11.718 -5.173 -2.105 353 H THR 47 HN THR 47 9.392 2.408 -4.909 354 HA THR 47 HA THR 47 10.188 4.927 -5.996 355 HB THR 47 HB THR 47 8.260 4.194 -3.804 356 HG1 THR 47 HG1 THR 47 7.959 4.313 -6.621 357 1HG2 THR 47 1HG2 THR 47 8.844 6.551 -3.859 358 2HG2 THR 47 3HG2 THR 47 8.429 6.632 -5.577 359 3HG2 THR 47 2HG2 THR 47 7.172 6.301 -4.372 360 H LEU 48 HN LEU 48 11.963 5.932 -5.142 361 HA LEU 48 HA LEU 48 13.013 5.318 -2.560 362 1HB LEU 48 HB2 LEU 48 14.375 6.047 -4.570 363 2HB LEU 48 HB1 LEU 48 13.663 7.630 -4.423 364 HG LEU 48 HG LEU 48 16.069 7.325 -3.620 365 1HD1 LEU 48 3HD1 LEU 48 14.823 9.325 -3.021 366 2HD1 LEU 48 2HD1 LEU 48 14.177 8.488 -1.596 367 3HD1 LEU 48 1HD1 LEU 48 15.922 8.767 -1.758 368 1HD2 LEU 48 2HD2 LEU 48 15.817 5.249 -2.427 369 2HD2 LEU 48 1HD2 LEU 48 16.381 6.539 -1.357 370 3HD2 LEU 48 3HD2 LEU 48 14.700 6.020 -1.295 371 H VAL 49 HN VAL 49 11.969 5.904 -0.828 372 HA VAL 49 HA VAL 49 10.225 8.203 -0.942 373 HB VAL 49 HB VAL 49 10.534 6.050 1.191 374 1HG1 VAL 49 3HG1 VAL 49 9.812 8.155 2.195 375 2HG1 VAL 49 2HG1 VAL 49 8.506 8.263 1.010 376 3HG1 VAL 49 1HG1 VAL 49 8.517 6.956 2.195 377 1HG2 VAL 49 2HG2 VAL 49 9.581 5.261 -0.873 378 2HG2 VAL 49 1HG2 VAL 49 8.362 5.302 0.404 379 3HG2 VAL 49 3HG2 VAL 49 8.383 6.555 -0.840 380 H GLU 50 HN GLU 50 12.991 7.023 0.991 381 HA GLU 50 HA GLU 50 13.936 9.715 1.143 382 1HB GLU 50 HB2 GLU 50 14.088 9.825 3.604 383 2HB GLU 50 HB1 GLU 50 12.413 9.724 3.087 384 1HG GLU 50 HG2 GLU 50 12.384 7.397 3.637 385 2HG GLU 50 HG1 GLU 50 14.083 7.447 4.102 386 H GLN 51 HN GLN 51 16.111 9.770 1.770 387 HA GLN 51 HA GLN 51 17.311 7.320 2.687 388 1HB GLN 51 HB2 GLN 51 19.161 7.496 1.130 389 2HB GLN 51 HB1 GLN 51 17.616 7.270 0.308 390 1HG GLN 51 HG2 GLN 51 17.575 9.533 -0.382 391 2HG GLN 51 HG1 GLN 51 18.977 9.926 0.615 392 1HE2 GLN 51 1HE2 GLN 51 17.844 8.326 -2.158 393 2HE2 GLN 51 2HE2 GLN 51 19.386 8.017 -2.899 394 H LYS 52 HN LYS 52 18.878 7.597 4.023 395 HA LYS 52 HA LYS 52 20.132 10.211 4.411 396 1HB LYS 52 HB2 LYS 52 19.720 9.828 6.923 397 2HB LYS 52 HB1 LYS 52 18.412 10.531 5.947 398 1HG LYS 52 HG2 LYS 52 17.579 8.133 5.741 399 2HG LYS 52 HG1 LYS 52 18.723 7.739 7.015 400 1HD LYS 52 HD2 LYS 52 16.516 8.069 7.914 401 2HD LYS 52 HD1 LYS 52 17.624 9.326 8.482 402 1HE LYS 52 HE2 LYS 52 16.745 10.914 7.035 403 2HE LYS 52 HE1 LYS 52 15.942 9.670 6.066 404 1HZ LYS 52 HZ1 LYS 52 15.168 10.275 8.881 405 2HZ LYS 52 HZ3 LYS 52 14.448 10.991 7.523 406 3HZ LYS 52 HZ2 LYS 52 14.343 9.345 7.683 407 H LYS 53 HN LYS 53 22.274 9.790 4.268 408 HA LYS 53 HA LYS 53 24.161 8.784 4.187 409 1HB LYS 53 HB2 LYS 53 23.704 9.356 6.667 410 2HB LYS 53 HB1 LYS 53 23.555 7.629 6.885 411 1HG LYS 53 HG2 LYS 53 25.965 9.021 5.742 412 2HG LYS 53 HG1 LYS 53 25.715 8.589 7.427 413 1HD LYS 53 HD2 LYS 53 25.747 6.664 5.117 414 2HD LYS 53 HD1 LYS 53 27.182 6.964 6.112 415 1HE LYS 53 HE2 LYS 53 25.846 6.196 8.085 416 2HE LYS 53 HE1 LYS 53 24.542 5.799 6.961 417 1HZ LYS 53 HZ2 LYS 53 26.068 4.205 5.893 418 2HZ LYS 53 HZ1 LYS 53 27.244 4.589 7.033 419 3HZ LYS 53 HZ3 LYS 53 25.819 3.840 7.524 420 H GLY 54 HN GLY 54 22.731 6.335 5.996 421 1HA GLY 54 HA1 GLY 54 23.739 4.095 5.392 422 2HA GLY 54 HA2 GLY 54 23.247 4.511 3.757 423 H TYR 55 HN TYR 55 20.765 5.706 5.750 424 HA TYR 55 HA TYR 55 19.515 3.120 5.593 425 1HB TYR 55 HB2 TYR 55 19.240 4.003 7.781 426 2HB TYR 55 HB1 TYR 55 19.001 5.639 7.188 427 HD1 TYR 55 HD1 TYR 55 16.964 6.300 6.337 428 HD2 TYR 55 HD2 TYR 55 17.401 2.421 7.847 429 HE1 TYR 55 HE1 TYR 55 14.487 6.102 6.404 430 HE2 TYR 55 HE2 TYR 55 14.948 2.134 7.940 431 HH TYR 55 HH TYR 55 12.810 4.215 6.383 432 H VAL 56 HN VAL 56 18.173 2.808 3.985 433 HA VAL 56 HA VAL 56 17.222 5.166 2.563 434 HB VAL 56 HB VAL 56 18.267 2.606 1.293 435 1HG1 VAL 56 2HG1 VAL 56 17.092 5.078 0.071 436 2HG1 VAL 56 1HG1 VAL 56 17.818 3.741 -0.823 437 3HG1 VAL 56 3HG1 VAL 56 16.340 3.481 0.104 438 1HG2 VAL 56 3HG2 VAL 56 20.038 4.156 2.039 439 2HG2 VAL 56 2HG2 VAL 56 19.962 4.029 0.278 440 3HG2 VAL 56 1HG2 VAL 56 19.285 5.437 1.090 441 H LEU 57 HN LEU 57 15.136 5.173 2.209 442 HA LEU 57 HA LEU 57 13.664 2.725 2.797 443 1HB LEU 57 HB2 LEU 57 13.087 4.257 4.458 444 2HB LEU 57 HB1 LEU 57 13.156 5.596 3.358 445 HG LEU 57 HG LEU 57 11.030 5.023 2.431 446 1HD1 LEU 57 1HD1 LEU 57 11.164 2.664 2.524 447 2HD1 LEU 57 3HD1 LEU 57 10.766 2.708 4.271 448 3HD1 LEU 57 2HD1 LEU 57 9.662 3.392 3.034 449 1HD2 LEU 57 1HD2 LEU 57 10.952 5.039 5.421 450 2HD2 LEU 57 3HD2 LEU 57 10.939 6.442 4.345 451 3HD2 LEU 57 2HD2 LEU 57 9.578 5.332 4.354 452 H PHE 58 HN PHE 58 12.755 1.765 1.209 453 HA PHE 58 HA PHE 58 11.850 3.234 -1.193 454 1HB PHE 58 HB2 PHE 58 13.340 0.647 -0.938 455 2HB PHE 58 HB1 PHE 58 12.211 0.872 -2.253 456 HD1 PHE 58 HD1 PHE 58 15.518 1.441 -1.064 457 HD2 PHE 58 HD2 PHE 58 12.611 2.750 -3.836 458 HE1 PHE 58 HE1 PHE 58 17.278 2.465 -2.432 459 HE2 PHE 58 HE2 PHE 58 14.354 3.805 -5.197 460 HZ PHE 58 HZ PHE 58 16.704 3.656 -4.502 461 H ARG 59 HN ARG 59 9.945 2.625 -2.029 462 HA ARG 59 HA ARG 59 8.625 0.393 -0.692 463 1HB ARG 59 HB2 ARG 59 6.429 1.436 -1.025 464 2HB ARG 59 HB1 ARG 59 7.479 2.439 -0.038 465 1HG ARG 59 HG2 ARG 59 7.872 3.906 -1.906 466 2HG ARG 59 HG1 ARG 59 6.862 2.869 -2.942 467 1HD ARG 59 HD2 ARG 59 5.747 4.870 -2.081 468 2HD ARG 59 HD1 ARG 59 4.925 3.362 -1.678 469 HE ARG 59 HE ARG 59 6.591 3.872 0.461 470 1HH1 ARG 59 1HH1 ARG 59 3.828 5.613 -0.991 471 2HH1 ARG 59 2HH1 ARG 59 3.402 6.336 0.493 472 1HH2 ARG 59 1HH2 ARG 59 5.968 4.771 2.354 473 2HH2 ARG 59 2HH2 ARG 59 4.623 5.855 2.461 474 H LYS 60 HN LYS 60 7.744 -1.078 -1.863 475 HA LYS 60 HA LYS 60 7.574 -0.690 -4.751 476 1HB LYS 60 HB2 LYS 60 9.493 -2.034 -4.405 477 2HB LYS 60 HB1 LYS 60 8.690 -3.072 -3.243 478 1HG LYS 60 HG2 LYS 60 8.814 -4.343 -5.199 479 2HG LYS 60 HG1 LYS 60 7.174 -3.698 -5.236 480 1HD LYS 60 HD2 LYS 60 8.068 -3.434 -7.451 481 2HD LYS 60 HD1 LYS 60 8.088 -1.836 -6.696 482 1HE LYS 60 HE2 LYS 60 10.362 -1.873 -6.315 483 2HE LYS 60 HE1 LYS 60 10.514 -3.586 -6.641 484 1HZ LYS 60 HZ3 LYS 60 9.762 -1.505 -8.632 485 2HZ LYS 60 HZ2 LYS 60 11.268 -2.286 -8.537 486 3HZ LYS 60 HZ1 LYS 60 9.906 -3.138 -8.947 487 H GLN 61 HN GLN 61 5.542 -0.796 -5.191 488 HA GLN 61 HA GLN 61 3.920 -2.570 -3.602 489 1HB GLN 61 HB2 GLN 61 2.012 -1.061 -4.141 490 2HB GLN 61 HB1 GLN 61 3.322 -0.365 -3.179 491 1HG GLN 61 HG2 GLN 61 4.179 0.686 -5.189 492 2HG GLN 61 HG1 GLN 61 2.707 0.118 -6.025 493 1HE2 GLN 61 1HE2 GLN 61 4.042 2.178 -3.654 494 2HE2 GLN 61 2HE2 GLN 61 2.700 3.218 -3.396 495 H MET 62 HN MET 62 2.981 -4.110 -4.505 496 HA MET 62 HA MET 62 3.626 -4.484 -7.317 497 1HB MET 62 HB2 MET 62 3.446 -6.389 -5.018 498 2HB MET 62 HB1 MET 62 3.467 -6.943 -6.687 499 1HG MET 62 HG2 MET 62 5.623 -6.118 -7.063 500 2HG MET 62 HG1 MET 62 5.572 -5.095 -5.633 501 1HE MET 62 HE2 MET 62 6.033 -5.831 -3.258 502 2HE MET 62 HE1 MET 62 4.608 -6.869 -3.285 503 3HE MET 62 HE3 MET 62 6.156 -7.485 -2.701 504 H ASP 63 HN ASP 63 2.299 -6.005 -8.434 505 HA ASP 63 HA ASP 63 -0.419 -5.011 -8.437 506 1HB ASP 63 HB2 ASP 63 1.072 -5.116 -10.457 507 2HB ASP 63 HB1 ASP 63 1.057 -6.865 -10.332 508 H ASP 64 HN ASP 64 -0.141 -6.454 -6.232 509 HA ASP 64 HA ASP 64 -1.561 -8.980 -6.741 510 1HB ASP 64 HB2 ASP 64 0.819 -8.634 -4.918 511 2HB ASP 64 HB1 ASP 64 -0.320 -9.950 -4.723 512 H ILE 65 HN ILE 65 -3.296 -9.279 -5.500 513 HA ILE 65 HA ILE 65 -3.767 -7.441 -3.256 514 HB ILE 65 HB ILE 65 -5.946 -8.625 -3.065 515 1HG1 ILE 65 2HG1 ILE 65 -5.164 -9.792 -5.725 516 2HG1 ILE 65 1HG1 ILE 65 -5.271 -10.674 -4.202 517 1HG2 ILE 65 1HG2 ILE 65 -5.311 -7.112 -5.522 518 2HG2 ILE 65 3HG2 ILE 65 -6.960 -7.524 -5.019 519 3HG2 ILE 65 2HG2 ILE 65 -5.946 -6.535 -3.967 520 1HD1 ILE 65 3HD1 ILE 65 -7.692 -10.245 -4.154 521 2HD1 ILE 65 2HD1 ILE 65 -7.551 -9.356 -5.668 522 3HD1 ILE 65 1HD1 ILE 65 -7.208 -11.086 -5.626 523 H SER 66 HN SER 66 -2.194 -10.250 -3.596 524 HA SER 66 HA SER 66 -1.472 -11.878 -2.187 525 1HB SER 66 HB2 SER 66 -3.035 -10.436 -0.007 526 2HB SER 66 HB1 SER 66 -1.752 -11.596 0.260 527 HG SER 66 HG SER 66 -1.560 -8.996 -0.007 528 HA PRO 67 HA PRO 67 -4.709 -14.961 -2.199 529 1HB PRO 67 HB2 PRO 67 -4.139 -16.450 0.054 530 2HB PRO 67 HB1 PRO 67 -3.316 -16.638 -1.496 531 1HG PRO 67 HG2 PRO 67 -2.453 -15.147 0.951 532 2HG PRO 67 HG1 PRO 67 -1.480 -16.119 -0.166 533 1HD PRO 67 HD2 PRO 67 -1.458 -13.454 -0.221 534 2HD PRO 67 HD1 PRO 67 -1.314 -14.398 -1.706 535 H LEU 68 HN LEU 68 -4.194 -13.147 0.686 536 HA LEU 68 HA LEU 68 -6.445 -14.033 2.115 537 1HB LEU 68 HB2 LEU 68 -4.262 -12.627 2.805 538 2HB LEU 68 HB1 LEU 68 -5.386 -11.299 2.634 539 HG LEU 68 HG LEU 68 -5.191 -12.014 4.977 540 1HD1 LEU 68 1HD1 LEU 68 -7.347 -11.105 4.252 541 2HD1 LEU 68 3HD1 LEU 68 -7.870 -12.746 3.853 542 3HD1 LEU 68 2HD1 LEU 68 -7.528 -12.317 5.527 543 1HD2 LEU 68 2HD2 LEU 68 -4.640 -14.385 4.554 544 2HD2 LEU 68 1HD2 LEU 68 -5.949 -14.186 5.724 545 3HD2 LEU 68 3HD2 LEU 68 -6.315 -14.664 4.072 546 H SER 69 HN SER 69 -6.077 -11.476 -0.323 547 HA SER 69 HA SER 69 -8.603 -10.300 0.235 548 1HB SER 69 HB2 SER 69 -6.940 -10.261 -2.259 549 2HB SER 69 HB1 SER 69 -8.425 -9.320 -2.061 550 HG SER 69 HG SER 69 -5.912 -8.986 -1.000 551 H LYS 70 HN LYS 70 -7.698 -13.148 -1.388 552 HA LYS 70 HA LYS 70 -10.104 -13.361 -2.931 553 1HB LYS 70 HB2 LYS 70 -8.097 -15.508 -2.252 554 2HB LYS 70 HB1 LYS 70 -9.201 -15.465 -3.629 555 1HG LYS 70 HG2 LYS 70 -8.046 -13.525 -4.519 556 2HG LYS 70 HG1 LYS 70 -6.950 -13.535 -3.146 557 1HD LYS 70 HD2 LYS 70 -6.210 -15.803 -3.858 558 2HD LYS 70 HD1 LYS 70 -7.196 -15.606 -5.313 559 1HE LYS 70 HE2 LYS 70 -5.979 -13.445 -5.698 560 2HE LYS 70 HE1 LYS 70 -4.883 -13.918 -4.417 561 1HZ LYS 70 HZ3 LYS 70 -4.287 -15.891 -5.670 562 2HZ LYS 70 HZ2 LYS 70 -5.347 -15.423 -6.918 563 3HZ LYS 70 HZ1 LYS 70 -3.996 -14.492 -6.557 564 H VAL 71 HN VAL 71 -9.019 -14.173 0.245 565 HA VAL 71 HA VAL 71 -11.290 -15.956 0.694 566 HB VAL 71 HB VAL 71 -10.276 -16.654 2.734 567 1HG1 VAL 71 3HG1 VAL 71 -9.026 -17.307 0.711 568 2HG1 VAL 71 2HG1 VAL 71 -7.953 -15.942 1.071 569 3HG1 VAL 71 1HG1 VAL 71 -8.073 -17.272 2.215 570 1HG2 VAL 71 1HG2 VAL 71 -8.494 -14.241 2.659 571 2HG2 VAL 71 3HG2 VAL 71 -9.853 -14.481 3.757 572 3HG2 VAL 71 2HG2 VAL 71 -8.434 -15.526 3.869 573 H ASN 72 HN ASN 72 -10.120 -12.847 1.440 574 HA ASN 72 HA ASN 72 -12.353 -12.249 3.229 575 1HB ASN 72 HB2 ASN 72 -10.122 -11.803 4.108 576 2HB ASN 72 HB1 ASN 72 -9.729 -10.832 2.708 577 1HD2 ASN 72 1HD2 ASN 72 -9.984 -8.656 2.906 578 2HD2 ASN 72 2HD2 ASN 72 -10.850 -7.943 4.229 579 H GLY 73 HN GLY 73 -10.573 -10.179 0.972 580 1HA GLY 73 HA1 GLY 73 -12.713 -9.863 -0.872 581 2HA GLY 73 HA2 GLY 73 -11.246 -8.900 -0.788 582 H TYR 74 HN TYR 74 -12.174 -8.395 2.123 583 HA TYR 74 HA TYR 74 -14.549 -6.896 1.748 584 1HB TYR 74 HB2 TYR 74 -13.007 -7.750 4.176 585 2HB TYR 74 HB1 TYR 74 -14.284 -6.550 4.247 586 HD1 TYR 74 HD1 TYR 74 -13.551 -9.934 4.631 587 HD2 TYR 74 HD2 TYR 74 -16.543 -7.345 3.125 588 HE1 TYR 74 HE1 TYR 74 -15.231 -11.691 4.960 589 HE2 TYR 74 HE2 TYR 74 -18.233 -9.086 3.443 590 HH TYR 74 HH TYR 74 -17.594 -11.815 5.310 591 H ILE 75 HN ILE 75 -14.382 -5.135 1.210 592 HA ILE 75 HA ILE 75 -12.180 -3.410 1.895 593 HB ILE 75 HB ILE 75 -14.427 -3.547 0.044 594 1HG1 ILE 75 2HG1 ILE 75 -11.511 -3.202 -0.462 595 2HG1 ILE 75 1HG1 ILE 75 -12.394 -4.729 -0.407 596 1HG2 ILE 75 1HG2 ILE 75 -12.551 -1.113 0.446 597 2HG2 ILE 75 3HG2 ILE 75 -13.705 -1.233 -0.883 598 3HG2 ILE 75 2HG2 ILE 75 -14.281 -1.118 0.778 599 1HD1 ILE 75 2HD1 ILE 75 -12.806 -2.448 -2.374 600 2HD1 ILE 75 1HD1 ILE 75 -11.974 -3.955 -2.724 601 3HD1 ILE 75 3HD1 ILE 75 -13.701 -3.966 -2.377 602 H GLY 76 HN GLY 76 -12.574 -1.921 3.407 603 1HA GLY 76 HA1 GLY 76 -13.603 -2.072 5.565 604 2HA GLY 76 HA2 GLY 76 -15.140 -2.221 4.721 605 H VAL 77 HN VAL 77 -16.176 -0.544 4.104 606 HA VAL 77 HA VAL 77 -14.804 1.941 4.556 607 HB VAL 77 HB VAL 77 -17.165 1.381 2.814 608 1HG1 VAL 77 3HG1 VAL 77 -15.718 3.988 3.282 609 2HG1 VAL 77 2HG1 VAL 77 -16.953 3.719 2.057 610 3HG1 VAL 77 1HG1 VAL 77 -17.371 3.618 3.775 611 1HG2 VAL 77 3HG2 VAL 77 -14.326 2.110 2.169 612 2HG2 VAL 77 2HG2 VAL 77 -15.122 0.578 1.844 613 3HG2 VAL 77 1HG2 VAL 77 -15.619 2.031 0.974 614 H SER 78 HN SER 78 -15.400 3.185 5.986 615 HA SER 78 HA SER 78 -17.604 2.348 7.698 616 1HB SER 78 HB2 SER 78 -15.445 4.386 8.246 617 2HB SER 78 HB1 SER 78 -16.546 3.633 9.407 618 HG SER 78 HG SER 78 -15.340 1.708 8.088 619 H ASP 79 HN ASP 79 -18.840 4.243 8.685 620 HA ASP 79 HA ASP 79 -20.387 5.451 6.746 621 1HB ASP 79 HB2 ASP 79 -21.044 5.018 9.107 622 2HB ASP 79 HB1 ASP 79 -20.093 6.411 9.592 623 H ASN 80 HN ASN 80 -17.525 6.786 8.236 624 HA ASN 80 HA ASN 80 -17.881 9.440 7.134 625 1HB ASN 80 HB2 ASN 80 -15.609 8.112 8.591 626 2HB ASN 80 HB1 ASN 80 -15.373 9.654 7.791 627 1HD2 ASN 80 1HD2 ASN 80 -16.895 7.993 10.398 628 2HD2 ASN 80 2HD2 ASN 80 -17.413 9.401 11.261 629 H GLY 81 HN GLY 81 -17.422 6.737 5.528 630 1HA GLY 81 HA1 GLY 81 -16.262 8.029 3.271 631 2HA GLY 81 HA2 GLY 81 -16.857 6.372 3.369 632 H VAL 82 HN VAL 82 -15.344 5.690 5.596 633 HA VAL 82 HA VAL 82 -12.569 6.179 5.020 634 HB VAL 82 HB VAL 82 -13.738 4.107 6.893 635 1HG1 VAL 82 2HG1 VAL 82 -11.390 3.751 6.369 636 2HG1 VAL 82 1HG1 VAL 82 -11.026 5.420 6.810 637 3HG1 VAL 82 3HG1 VAL 82 -11.576 4.282 8.045 638 1HG2 VAL 82 2HG2 VAL 82 -14.590 6.341 7.382 639 2HG2 VAL 82 1HG2 VAL 82 -13.492 5.793 8.661 640 3HG2 VAL 82 3HG2 VAL 82 -12.953 6.962 7.449 641 H ILE 83 HN ILE 83 -11.601 5.286 3.470 642 HA ILE 83 HA ILE 83 -12.596 3.000 2.054 643 HB ILE 83 HB ILE 83 -10.282 4.790 1.188 644 1HG1 ILE 83 2HG1 ILE 83 -12.271 6.133 1.432 645 2HG1 ILE 83 1HG1 ILE 83 -12.007 5.845 -0.284 646 1HG2 ILE 83 2HG2 ILE 83 -12.027 2.847 -0.372 647 2HG2 ILE 83 1HG2 ILE 83 -10.783 3.893 -1.078 648 3HG2 ILE 83 3HG2 ILE 83 -10.342 2.595 0.036 649 1HD1 ILE 83 3HD1 ILE 83 -13.950 4.377 1.474 650 2HD1 ILE 83 2HD1 ILE 83 -14.368 5.640 0.308 651 3HD1 ILE 83 1HD1 ILE 83 -13.711 4.097 -0.249 652 H SER 84 HN SER 84 -11.820 2.060 4.275 653 HA SER 84 HA SER 84 -8.979 1.293 4.091 654 1HB SER 84 HB2 SER 84 -9.781 2.232 6.220 655 2HB SER 84 HB1 SER 84 -11.032 1.000 6.306 656 HG SER 84 HG SER 84 -8.375 0.918 6.915 657 H THR 85 HN THR 85 -8.672 -1.065 4.793 658 HA THR 85 HA THR 85 -10.850 -2.708 3.784 659 HB THR 85 HB THR 85 -9.153 -4.463 3.223 660 HG1 THR 85 HG1 THR 85 -6.993 -3.913 3.146 661 1HG2 THR 85 1HG2 THR 85 -9.945 -2.998 1.433 662 2HG2 THR 85 3HG2 THR 85 -8.681 -1.827 1.810 663 3HG2 THR 85 2HG2 THR 85 -8.252 -3.423 1.188 664 H PHE 86 HN PHE 86 -11.357 -4.510 5.024 665 HA PHE 86 HA PHE 86 -10.129 -4.424 7.669 666 1HB PHE 86 HB2 PHE 86 -13.037 -4.773 6.946 667 2HB PHE 86 HB1 PHE 86 -12.404 -5.312 8.485 668 HD1 PHE 86 HD1 PHE 86 -13.313 -3.974 10.084 669 HD2 PHE 86 HD2 PHE 86 -11.798 -2.177 6.564 670 HE1 PHE 86 HE1 PHE 86 -13.807 -1.760 11.030 671 HE2 PHE 86 HE2 PHE 86 -12.304 0.067 7.497 672 HZ PHE 86 HZ PHE 86 -13.304 0.264 9.730 673 H HIS 87 HN HIS 87 -10.135 -6.444 8.768 674 HA HIS 87 HA HIS 87 -10.090 -8.741 6.982 675 1HB HIS 87 HB2 HIS 87 -8.176 -8.292 8.595 676 2HB HIS 87 HB1 HIS 87 -9.312 -8.548 9.915 677 HD1 HIS 87 HD1 HIS 87 -6.959 -10.350 7.736 678 HD2 HIS 87 HD2 HIS 87 -10.323 -11.281 10.008 679 HE1 HIS 87 HE1 HIS 87 -6.908 -12.837 8.077 680 H GLY 88 HN GLY 88 -12.073 -9.421 6.696 681 1HA GLY 88 HA1 GLY 88 -13.759 -10.042 8.993 682 2HA GLY 88 HA2 GLY 88 -13.975 -10.612 7.336 683 H ARG 89 HN ARG 89 -16.147 -9.730 8.416 684 HA ARG 89 HA ARG 89 -17.366 -7.751 7.023 685 1HB ARG 89 HB2 ARG 89 -17.717 -8.535 9.896 686 2HB ARG 89 HB1 ARG 89 -18.724 -7.359 9.060 687 1HG ARG 89 HG2 ARG 89 -18.437 -9.993 7.805 688 2HG ARG 89 HG1 ARG 89 -19.459 -9.848 9.245 689 1HD ARG 89 HD2 ARG 89 -19.658 -8.155 6.765 690 2HD ARG 89 HD1 ARG 89 -20.742 -9.475 7.204 691 HE ARG 89 HE ARG 89 -20.534 -7.469 9.251 692 1HH1 ARG 89 1HH1 ARG 89 -22.157 -8.288 6.235 693 2HH1 ARG 89 2HH1 ARG 89 -23.569 -7.395 6.580 694 1HH2 ARG 89 1HH2 ARG 89 -22.407 -6.207 9.727 695 2HH2 ARG 89 2HH2 ARG 89 -23.712 -6.160 8.623 696 HA PRO 90 HA PRO 90 -15.218 -4.124 8.595 697 1HB PRO 90 HB2 PRO 90 -16.190 -2.340 6.842 698 2HB PRO 90 HB1 PRO 90 -14.901 -3.487 6.455 699 1HG PRO 90 HG2 PRO 90 -17.777 -3.560 5.740 700 2HG PRO 90 HG1 PRO 90 -16.388 -4.099 4.796 701 1HD PRO 90 HD2 PRO 90 -18.090 -5.710 6.246 702 2HD PRO 90 HD1 PRO 90 -16.469 -6.201 5.731 703 H GLU 91 HN GLU 91 -16.399 -4.246 10.442 704 HA GLU 91 HA GLU 91 -18.404 -2.177 10.742 705 1HB GLU 91 HB2 GLU 91 -19.690 -3.801 12.235 706 2HB GLU 91 HB1 GLU 91 -19.626 -4.271 10.557 707 1HG GLU 91 HG2 GLU 91 -17.801 -5.824 11.082 708 2HG GLU 91 HG1 GLU 91 -17.977 -5.393 12.790 709 HA PRO 92 HA PRO 92 -15.857 -0.991 14.198 710 1HB PRO 92 HB2 PRO 92 -17.535 -1.098 16.384 711 2HB PRO 92 HB1 PRO 92 -17.381 0.300 15.295 712 1HG PRO 92 HG2 PRO 92 -19.448 -1.812 15.470 713 2HG PRO 92 HG1 PRO 92 -19.604 -0.126 14.939 714 1HD PRO 92 HD2 PRO 92 -19.533 -2.327 13.311 715 2HD PRO 92 HD1 PRO 92 -19.079 -0.684 12.746 716 H ALA 93 HN ALA 93 -17.587 -3.914 14.464 717 HA ALA 93 HA ALA 93 -16.258 -4.900 16.780 718 1HB ALA 93 HB2 ALA 93 -18.451 -5.639 16.104 719 2HB ALA 93 HB3 ALA 93 -17.336 -7.008 16.227 720 3HB ALA 93 HB1 ALA 93 -17.787 -6.362 14.641 721 H SER 94 HN SER 94 -15.367 -4.386 13.603 722 HA SER 94 HA SER 94 -13.172 -6.292 13.795 723 1HB SER 94 HB2 SER 94 -14.509 -5.017 11.431 724 2HB SER 94 HB1 SER 94 -13.149 -6.136 11.346 725 HG SER 94 HG SER 94 -15.390 -6.906 11.070 726 H GLU 95 HN GLU 95 -11.141 -5.406 12.724 727 HA GLU 95 HA GLU 95 -10.907 -2.574 13.365 728 1HB GLU 95 HB2 GLU 95 -8.829 -4.751 13.453 729 2HB GLU 95 HB1 GLU 95 -8.467 -3.045 13.665 730 1HG GLU 95 HG2 GLU 95 -9.927 -2.991 15.621 731 2HG GLU 95 HG1 GLU 95 -10.267 -4.703 15.410 732 HA PRO 96 HA PRO 96 -9.782 -1.846 9.071 733 1HB PRO 96 HB2 PRO 96 -8.372 0.546 10.001 734 2HB PRO 96 HB1 PRO 96 -9.805 0.436 8.980 735 1HG PRO 96 HG2 PRO 96 -9.902 1.365 11.522 736 2HG PRO 96 HG1 PRO 96 -11.247 0.500 10.759 737 1HD PRO 96 HD2 PRO 96 -9.229 -0.491 12.729 738 2HD PRO 96 HD1 PRO 96 -10.972 -0.834 12.595 739 H ILE 97 HN ILE 97 -8.011 -2.285 7.872 740 HA ILE 97 HA ILE 97 -5.630 -3.166 9.254 741 HB ILE 97 HB ILE 97 -6.276 -3.158 6.288 742 1HG1 ILE 97 2HG1 ILE 97 -6.407 -5.478 8.216 743 2HG1 ILE 97 1HG1 ILE 97 -7.796 -4.465 7.848 744 1HG2 ILE 97 3HG2 ILE 97 -4.137 -4.654 7.828 745 2HG2 ILE 97 2HG2 ILE 97 -4.491 -4.848 6.111 746 3HG2 ILE 97 1HG2 ILE 97 -3.861 -3.315 6.713 747 1HD1 ILE 97 2HD1 ILE 97 -6.234 -6.053 5.823 748 2HD1 ILE 97 1HD1 ILE 97 -7.783 -6.520 6.558 749 3HD1 ILE 97 3HD1 ILE 97 -7.693 -5.081 5.553 750 H GLN 98 HN GLN 98 -6.524 -0.550 7.093 751 HA GLN 98 HA GLN 98 -4.257 0.953 7.913 752 1HB GLN 98 HB2 GLN 98 -3.204 1.292 5.764 753 2HB GLN 98 HB1 GLN 98 -3.414 -0.425 5.968 754 1HG GLN 98 HG2 GLN 98 -4.819 1.430 4.087 755 2HG GLN 98 HG1 GLN 98 -3.891 -0.028 3.747 756 1HE2 GLN 98 1HE2 GLN 98 -4.778 -1.796 4.829 757 2HE2 GLN 98 2HE2 GLN 98 -6.488 -2.186 4.605 758 H SER 99 HN SER 99 -4.584 3.055 5.929 759 HA SER 99 HA SER 99 -7.371 3.131 5.432 760 1HB SER 99 HB2 SER 99 -5.929 5.418 6.816 761 2HB SER 99 HB1 SER 99 -7.545 5.535 6.123 762 HG SER 99 HG SER 99 -7.207 3.398 7.761 763 H PHE 100 HN PHE 100 -7.646 3.660 3.296 764 HA PHE 100 HA PHE 100 -5.417 4.841 1.879 765 1HB PHE 100 HB2 PHE 100 -8.075 3.763 0.899 766 2HB PHE 100 HB1 PHE 100 -6.893 4.515 -0.159 767 HD1 PHE 100 HD1 PHE 100 -7.780 1.523 1.710 768 HD2 PHE 100 HD2 PHE 100 -4.749 3.404 -0.604 769 HE1 PHE 100 HE1 PHE 100 -6.676 -0.653 1.399 770 HE2 PHE 100 HE2 PHE 100 -3.638 1.231 -0.918 771 HZ PHE 100 HZ PHE 100 -4.601 -0.800 0.081 772 H PHE 101 HN PHE 101 -8.912 5.552 1.994 773 HA PHE 101 HA PHE 101 -8.315 8.396 2.103 774 1HB PHE 101 HB2 PHE 101 -9.590 7.008 -0.173 775 2HB PHE 101 HB1 PHE 101 -10.407 8.462 0.383 776 HD1 PHE 101 HD1 PHE 101 -9.620 10.559 -0.179 777 HD2 PHE 101 HD2 PHE 101 -7.156 7.170 -0.864 778 HE1 PHE 101 HE1 PHE 101 -8.056 11.964 -1.451 779 HE2 PHE 101 HE2 PHE 101 -5.586 8.565 -2.141 780 HZ PHE 101 HZ PHE 101 -6.033 10.964 -2.436 781 H GLN 102 HN GLN 102 -10.334 9.657 2.397 782 HA GLN 102 HA GLN 102 -12.541 8.218 3.592 783 1HB GLN 102 HB2 GLN 102 -10.895 10.391 4.829 784 2HB GLN 102 HB1 GLN 102 -12.631 10.449 5.081 785 1HG GLN 102 HG2 GLN 102 -12.669 8.450 6.182 786 2HG GLN 102 HG1 GLN 102 -11.083 7.944 5.624 787 1HE2 GLN 102 1HE2 GLN 102 -12.859 9.981 7.821 788 2HE2 GLN 102 2HE2 GLN 102 -11.539 10.354 8.835 789 H ILE 103 HN ILE 103 -14.314 8.726 2.671 790 HA ILE 103 HA ILE 103 -14.436 11.170 1.012 791 HB ILE 103 HB ILE 103 -15.334 9.947 -0.911 792 1HG1 ILE 103 2HG1 ILE 103 -15.229 7.472 0.845 793 2HG1 ILE 103 1HG1 ILE 103 -16.696 8.330 0.405 794 1HG2 ILE 103 1HG2 ILE 103 -12.906 9.935 -0.642 795 2HG2 ILE 103 3HG2 ILE 103 -13.012 8.377 0.177 796 3HG2 ILE 103 2HG2 ILE 103 -13.507 8.519 -1.510 797 1HD1 ILE 103 2HD1 ILE 103 -14.818 6.997 -1.514 798 2HD1 ILE 103 1HD1 ILE 103 -16.374 6.349 -0.968 799 3HD1 ILE 103 3HD1 ILE 103 -16.315 7.833 -1.927 800 H ASP 104 HN ASP 104 -16.728 11.669 0.325 801 HA ASP 104 HA ASP 104 -18.433 11.262 2.586 802 1HB ASP 104 HB2 ASP 104 -18.478 13.041 0.216 803 2HB ASP 104 HB1 ASP 104 -20.020 12.679 0.983 804 H LEU 105 HN LEU 105 -19.562 9.505 2.820 805 HA LEU 105 HA LEU 105 -20.269 7.902 0.597 806 1HB LEU 105 HB2 LEU 105 -21.251 7.759 3.428 807 2HB LEU 105 HB1 LEU 105 -21.686 6.632 2.171 808 HG LEU 105 HG LEU 105 -19.051 6.997 3.529 809 1HD1 LEU 105 1HD1 LEU 105 -20.929 4.716 3.064 810 2HD1 LEU 105 3HD1 LEU 105 -19.355 4.558 3.837 811 3HD1 LEU 105 2HD1 LEU 105 -20.621 5.545 4.590 812 1HD2 LEU 105 1HD2 LEU 105 -19.572 5.462 0.970 813 2HD2 LEU 105 3HD2 LEU 105 -18.522 6.872 1.149 814 3HD2 LEU 105 2HD2 LEU 105 -18.111 5.358 1.944 815 H GLU 106 HN GLU 106 -21.750 10.407 2.287 816 HA GLU 106 HA GLU 106 -24.367 10.084 1.300 817 1HB GLU 106 HB2 GLU 106 -24.556 12.517 1.933 818 2HB GLU 106 HB1 GLU 106 -24.047 11.425 3.219 819 1HG GLU 106 HG2 GLU 106 -21.717 12.087 2.811 820 2HG GLU 106 HG1 GLU 106 -22.267 13.241 1.607 821 H ARG 107 HN ARG 107 -21.458 11.069 -0.227 822 HA ARG 107 HA ARG 107 -22.936 12.395 -2.344 823 1HB ARG 107 HB2 ARG 107 -20.998 13.465 -2.937 824 2HB ARG 107 HB1 ARG 107 -20.664 13.149 -1.244 825 1HG ARG 107 HG2 ARG 107 -19.342 11.232 -1.811 826 2HG ARG 107 HG1 ARG 107 -19.727 11.499 -3.521 827 1HD ARG 107 HD2 ARG 107 -18.120 13.325 -1.704 828 2HD ARG 107 HD1 ARG 107 -17.547 12.378 -3.049 829 HE ARG 107 HE ARG 107 -19.595 14.089 -3.848 830 1HH1 ARG 107 1HH1 ARG 107 -16.241 14.121 -2.861 831 2HH1 ARG 107 2HH1 ARG 107 -15.736 15.349 -3.930 832 1HH2 ARG 107 1HH2 ARG 107 -18.985 15.831 -5.326 833 2HH2 ARG 107 2HH2 ARG 107 -17.359 16.358 -5.358 834 H LEU 108 HN LEU 108 -21.499 9.406 -1.535 835 HA LEU 108 HA LEU 108 -21.278 8.154 -4.065 836 1HB LEU 108 HB2 LEU 108 -21.859 7.157 -1.327 837 2HB LEU 108 HB1 LEU 108 -22.427 6.138 -2.624 838 HG LEU 108 HG LEU 108 -20.239 5.345 -1.853 839 1HD1 LEU 108 2HD1 LEU 108 -20.811 5.037 -4.075 840 2HD1 LEU 108 1HD1 LEU 108 -20.019 6.546 -4.514 841 3HD1 LEU 108 3HD1 LEU 108 -19.073 5.225 -3.817 842 1HD2 LEU 108 2HD2 LEU 108 -19.380 8.135 -2.431 843 2HD2 LEU 108 1HD2 LEU 108 -19.457 7.246 -0.894 844 3HD2 LEU 108 3HD2 LEU 108 -18.292 6.746 -2.117 845 H GLU 109 HN GLU 109 -22.794 6.876 -5.268 846 HA GLU 109 HA GLU 109 -25.203 8.094 -5.785 847 1HB GLU 109 HB2 GLU 109 -24.523 5.196 -6.269 848 2HB GLU 109 HB1 GLU 109 -25.807 6.090 -7.075 849 1HG GLU 109 HG2 GLU 109 -24.049 7.601 -7.993 850 2HG GLU 109 HG1 GLU 109 -22.842 6.522 -7.299 851 H SER 110 HN SER 110 -25.254 4.742 -4.479 852 HA SER 110 HA SER 110 -26.739 5.584 -2.201 853 1HB SER 110 HB2 SER 110 -28.784 4.199 -2.767 854 2HB SER 110 HB1 SER 110 -28.605 5.685 -3.700 855 HG SER 110 HG SER 110 -27.990 4.502 -5.463 856 H HIS 111 HN HIS 111 -26.686 2.594 -4.069 857 HA HIS 111 HA HIS 111 -26.318 1.098 -1.644 858 1HB HIS 111 HB2 HIS 111 -26.420 0.068 -4.490 859 2HB HIS 111 HB1 HIS 111 -26.566 -0.905 -3.028 860 HD1 HIS 111 HD1 HIS 111 -28.629 0.558 -5.547 861 HD2 HIS 111 HD2 HIS 111 -28.904 0.133 -1.422 862 HE1 HIS 111 HE1 HIS 111 -31.054 0.911 -4.969 863 H MET 112 HN MET 112 -24.313 2.238 -4.127 864 HA MET 112 HA MET 112 -22.057 0.645 -4.118 865 1HB MET 112 HB2 MET 112 -22.410 3.617 -4.213 866 2HB MET 112 HB1 MET 112 -20.796 2.935 -4.199 867 1HG MET 112 HG2 MET 112 -22.884 2.215 -6.246 868 2HG MET 112 HG1 MET 112 -21.746 3.546 -6.450 869 1HE MET 112 HE1 MET 112 -19.110 3.225 -6.505 870 2HE MET 112 HE3 MET 112 -19.099 2.257 -5.031 871 3HE MET 112 HE2 MET 112 -18.296 1.666 -6.485 872 H GLN 113 HN GLN 113 -22.663 3.327 -1.871 873 HA GLN 113 HA GLN 113 -20.383 2.816 -0.297 874 1HB GLN 113 HB2 GLN 113 -21.505 4.301 1.383 875 2HB GLN 113 HB1 GLN 113 -21.252 5.048 -0.192 876 1HG GLN 113 HG2 GLN 113 -23.432 5.282 -0.528 877 2HG GLN 113 HG1 GLN 113 -23.680 3.642 0.121 878 1HE2 GLN 113 1HE2 GLN 113 -23.596 7.017 0.953 879 2HE2 GLN 113 2HE2 GLN 113 -24.248 6.841 2.533 880 H LYS 114 HN LYS 114 -23.678 1.727 -0.144 881 HA LYS 114 HA LYS 114 -23.501 0.702 2.494 882 1HB LYS 114 HB2 LYS 114 -25.494 0.045 0.337 883 2HB LYS 114 HB1 LYS 114 -25.635 -0.403 2.033 884 1HG LYS 114 HG2 LYS 114 -25.548 2.022 2.592 885 2HG LYS 114 HG1 LYS 114 -25.652 2.354 0.864 886 1HD LYS 114 HD2 LYS 114 -27.769 1.147 0.762 887 2HD LYS 114 HD1 LYS 114 -27.630 0.814 2.498 888 1HE LYS 114 HE2 LYS 114 -27.550 3.235 2.905 889 2HE LYS 114 HE1 LYS 114 -27.839 3.513 1.198 890 1HZ LYS 114 HZ3 LYS 114 -29.699 2.063 3.003 891 2HZ LYS 114 HZ2 LYS 114 -29.878 3.656 2.500 892 3HZ LYS 114 HZ1 LYS 114 -29.956 2.405 1.372 893 H ASN 115 HN ASN 115 -22.792 -0.599 -0.645 894 HA ASN 115 HA ASN 115 -22.594 -3.272 0.273 895 1HB ASN 115 HB2 ASN 115 -21.418 -1.930 -2.164 896 2HB ASN 115 HB1 ASN 115 -21.148 -3.635 -1.800 897 1HD2 ASN 115 1HD2 ASN 115 -22.362 -2.646 -4.084 898 2HD2 ASN 115 2HD2 ASN 115 -24.007 -3.155 -4.122 899 H LEU 116 HN LEU 116 -20.468 -0.587 0.073 900 HA LEU 116 HA LEU 116 -18.101 -1.935 0.879 901 1HB LEU 116 HB2 LEU 116 -18.809 0.967 1.287 902 2HB LEU 116 HB1 LEU 116 -17.214 0.225 1.223 903 HG LEU 116 HG LEU 116 -19.045 0.316 -1.189 904 1HD1 LEU 116 1HD1 LEU 116 -18.499 2.574 -0.346 905 2HD1 LEU 116 3HD1 LEU 116 -16.793 2.183 -0.587 906 3HD1 LEU 116 2HD1 LEU 116 -17.909 2.181 -1.948 907 1HD2 LEU 116 3HD2 LEU 116 -17.267 -1.399 -1.184 908 2HD2 LEU 116 2HD2 LEU 116 -16.995 -0.140 -2.390 909 3HD2 LEU 116 1HD2 LEU 116 -16.078 -0.133 -0.881 910 H LEU 117 HN LEU 117 -20.788 -0.404 2.571 911 HA LEU 117 HA LEU 117 -19.776 -0.362 5.170 912 1HB LEU 117 HB2 LEU 117 -22.639 -0.743 4.313 913 2HB LEU 117 HB1 LEU 117 -22.108 -0.302 5.920 914 HG LEU 117 HG LEU 117 -21.855 1.357 3.428 915 1HD1 LEU 117 3HD1 LEU 117 -24.117 1.264 4.338 916 2HD1 LEU 117 2HD1 LEU 117 -23.493 1.749 5.913 917 3HD1 LEU 117 1HD1 LEU 117 -23.393 2.856 4.548 918 1HD2 LEU 117 2HD2 LEU 117 -20.956 1.926 6.233 919 2HD2 LEU 117 1HD2 LEU 117 -19.956 1.690 4.785 920 3HD2 LEU 117 3HD2 LEU 117 -21.014 3.096 4.899 921 H LYS 118 HN LYS 118 -21.719 -2.927 3.571 922 HA LYS 118 HA LYS 118 -21.351 -4.510 5.967 923 1HB LYS 118 HB2 LYS 118 -22.743 -6.210 5.135 924 2HB LYS 118 HB1 LYS 118 -23.480 -4.736 4.551 925 1HG LYS 118 HG2 LYS 118 -21.573 -6.227 2.833 926 2HG LYS 118 HG1 LYS 118 -23.206 -6.837 3.055 927 1HD LYS 118 HD2 LYS 118 -22.601 -4.029 2.168 928 2HD LYS 118 HD1 LYS 118 -22.831 -5.350 1.018 929 1HE LYS 118 HE2 LYS 118 -25.074 -5.735 1.963 930 2HE LYS 118 HE1 LYS 118 -24.844 -4.380 3.065 931 1HZ LYS 118 HZ1 LYS 118 -24.636 -2.931 1.142 932 2HZ LYS 118 HZ3 LYS 118 -24.937 -4.223 0.088 933 3HZ LYS 118 HZ2 LYS 118 -26.121 -3.690 1.182 934 H GLY 119 HN GLY 119 -19.824 -4.053 2.957 935 1HA GLY 119 HA1 GLY 119 -17.882 -6.027 3.799 936 2HA GLY 119 HA2 GLY 119 -17.534 -4.568 2.870 937 H ILE 120 HN ILE 120 -16.777 -5.319 1.053 938 HA ILE 120 HA ILE 120 -18.572 -6.705 -0.692 939 HB ILE 120 HB ILE 120 -15.615 -6.235 -1.240 940 1HG1 ILE 120 2HG1 ILE 120 -16.549 -4.068 -0.588 941 2HG1 ILE 120 1HG1 ILE 120 -16.285 -4.094 -2.328 942 1HG2 ILE 120 2HG2 ILE 120 -16.879 -7.712 -2.779 943 2HG2 ILE 120 1HG2 ILE 120 -18.026 -6.406 -3.059 944 3HG2 ILE 120 3HG2 ILE 120 -16.351 -6.228 -3.586 945 1HD1 ILE 120 3HD1 ILE 120 -18.691 -4.607 -2.617 946 2HD1 ILE 120 2HD1 ILE 120 -18.868 -4.431 -0.866 947 3HD1 ILE 120 1HD1 ILE 120 -18.397 -3.037 -1.836 948 HA PRO 121 HA PRO 121 -17.402 -10.540 1.166 949 1HB PRO 121 HB2 PRO 121 -18.774 -12.193 -0.475 950 2HB PRO 121 HB1 PRO 121 -19.567 -11.162 0.725 951 1HG PRO 121 HG2 PRO 121 -19.157 -10.688 -2.210 952 2HG PRO 121 HG1 PRO 121 -20.642 -10.499 -1.261 953 1HD PRO 121 HD2 PRO 121 -19.116 -8.408 -1.893 954 2HD PRO 121 HD1 PRO 121 -19.937 -8.512 -0.318 955 H PHE 122 HN PHE 122 -16.152 -9.500 -1.670 956 HA PHE 122 HA PHE 122 -14.031 -11.345 -1.933 957 1HB PHE 122 HB2 PHE 122 -15.820 -12.929 -2.639 958 2HB PHE 122 HB1 PHE 122 -16.264 -11.836 -3.933 959 HD1 PHE 122 HD1 PHE 122 -15.159 -11.901 -6.022 960 HD2 PHE 122 HD2 PHE 122 -13.514 -13.990 -2.697 961 HE1 PHE 122 HE1 PHE 122 -13.531 -12.991 -7.511 962 HE2 PHE 122 HE2 PHE 122 -11.893 -15.084 -4.182 963 HZ PHE 122 HZ PHE 122 -11.899 -14.586 -6.588 964 H ARG 123 HN ARG 123 -12.518 -10.612 -3.520 965 HA ARG 123 HA ARG 123 -13.428 -8.886 -5.617 966 1HB ARG 123 HB2 ARG 123 -12.124 -6.970 -5.057 967 2HB ARG 123 HB1 ARG 123 -13.076 -7.356 -3.633 968 1HG ARG 123 HG2 ARG 123 -11.058 -8.508 -2.707 969 2HG ARG 123 HG1 ARG 123 -10.150 -7.875 -4.081 970 1HD ARG 123 HD2 ARG 123 -10.888 -5.608 -3.461 971 2HD ARG 123 HD1 ARG 123 -11.615 -6.276 -2.003 972 HE ARG 123 HE ARG 123 -8.752 -6.331 -2.636 973 1HH1 ARG 123 1HH1 ARG 123 -11.306 -6.295 -0.224 974 2HH1 ARG 123 2HH1 ARG 123 -10.334 -5.829 1.087 975 1HH2 ARG 123 1HH2 ARG 123 -7.381 -5.577 -0.923 976 2HH2 ARG 123 2HH2 ARG 123 -7.948 -5.438 0.667 977 H THR 124 HN THR 124 -11.717 -8.581 -7.195 978 HA THR 124 HA THR 124 -9.435 -10.320 -6.706 979 HB THR 124 HB THR 124 -10.480 -9.550 -9.488 980 HG1 THR 124 HG1 THR 124 -12.094 -10.659 -8.690 981 1HG2 THR 124 2HG2 THR 124 -8.661 -11.759 -8.493 982 2HG2 THR 124 1HG2 THR 124 -9.262 -11.601 -10.155 983 3HG2 THR 124 3HG2 THR 124 -8.217 -10.363 -9.476 984 H LYS 125 HN LYS 125 -7.451 -9.274 -8.449 985 HA LYS 125 HA LYS 125 -6.584 -7.212 -6.952 986 1HB LYS 125 HB2 LYS 125 -5.422 -9.098 -7.931 987 2HB LYS 125 HB1 LYS 125 -5.727 -8.541 -9.534 988 1HG LYS 125 HG2 LYS 125 -4.163 -7.160 -7.447 989 2HG LYS 125 HG1 LYS 125 -3.533 -8.198 -8.746 990 1HD LYS 125 HD2 LYS 125 -5.014 -5.611 -9.147 991 2HD LYS 125 HD1 LYS 125 -3.265 -5.860 -9.109 992 1HE LYS 125 HE2 LYS 125 -3.480 -7.413 -10.997 993 2HE LYS 125 HE1 LYS 125 -5.216 -7.050 -11.042 994 1HZ LYS 125 HZ3 LYS 125 -4.582 -4.684 -11.485 995 2HZ LYS 125 HZ2 LYS 125 -2.980 -5.194 -11.543 996 3HZ LYS 125 HZ1 LYS 125 -4.059 -5.749 -12.706 997 H ALA 126 HN ALA 126 -7.546 -7.348 -10.301 998 HA ALA 126 HA ALA 126 -7.179 -4.556 -10.679 999 1HB ALA 126 HB2 ALA 126 -8.769 -6.429 -12.388 1000 2HB ALA 126 HB3 ALA 126 -7.021 -6.198 -12.503 1001 3HB ALA 126 HB1 ALA 126 -8.122 -4.860 -12.862 1002 H GLU 127 HN GLU 127 -9.753 -6.478 -9.542 1003 HA GLU 127 HA GLU 127 -11.823 -4.570 -10.035 1004 1HB GLU 127 HB2 GLU 127 -11.901 -6.677 -7.907 1005 2HB GLU 127 HB1 GLU 127 -13.246 -5.969 -8.792 1006 1HG GLU 127 HG2 GLU 127 -11.974 -7.017 -10.861 1007 2HG GLU 127 HG1 GLU 127 -11.258 -7.945 -9.601 1008 H PHE 128 HN PHE 128 -9.592 -5.232 -7.439 1009 HA PHE 128 HA PHE 128 -10.732 -3.580 -5.467 1010 1HB PHE 128 HB2 PHE 128 -9.089 -5.162 -4.788 1011 2HB PHE 128 HB1 PHE 128 -7.927 -4.566 -5.958 1012 HD1 PHE 128 HD1 PHE 128 -9.528 -3.882 -2.742 1013 HD2 PHE 128 HD2 PHE 128 -6.627 -2.634 -5.552 1014 HE1 PHE 128 HE1 PHE 128 -8.566 -2.369 -1.041 1015 HE2 PHE 128 HE2 PHE 128 -5.625 -1.105 -3.863 1016 HZ PHE 128 HZ PHE 128 -6.611 -0.970 -1.610 1017 H GLU 129 HN GLU 129 -8.110 -2.998 -7.772 1018 HA GLU 129 HA GLU 129 -7.892 -0.288 -7.054 1019 1HB GLU 129 HB2 GLU 129 -6.583 -0.100 -9.243 1020 2HB GLU 129 HB1 GLU 129 -5.963 -1.218 -8.035 1021 1HG GLU 129 HG2 GLU 129 -6.965 -3.065 -9.206 1022 2HG GLU 129 HG1 GLU 129 -7.639 -1.972 -10.400 1023 H ASP 130 HN ASP 130 -10.042 -1.938 -9.091 1024 HA ASP 130 HA ASP 130 -11.012 0.238 -10.658 1025 1HB ASP 130 HB2 ASP 130 -11.448 -2.032 -11.354 1026 2HB ASP 130 HB1 ASP 130 -12.241 -2.375 -9.840 1027 H VAL 131 HN VAL 131 -12.243 -1.393 -7.790 1028 HA VAL 131 HA VAL 131 -14.314 0.512 -7.432 1029 HB VAL 131 HB VAL 131 -14.606 -1.728 -6.485 1030 1HG1 VAL 131 2HG1 VAL 131 -12.311 -2.198 -5.929 1031 2HG1 VAL 131 1HG1 VAL 131 -12.390 -1.074 -4.580 1032 3HG1 VAL 131 3HG1 VAL 131 -13.386 -2.534 -4.567 1033 1HG2 VAL 131 1HG2 VAL 131 -14.497 0.349 -4.318 1034 2HG2 VAL 131 3HG2 VAL 131 -15.853 0.046 -5.413 1035 3HG2 VAL 131 2HG2 VAL 131 -15.371 -1.182 -4.232 1036 H ILE 132 HN ILE 132 -11.064 0.281 -6.214 1037 HA ILE 132 HA ILE 132 -11.262 2.455 -4.444 1038 HB ILE 132 HB ILE 132 -9.100 0.739 -5.445 1039 1HG1 ILE 132 2HG1 ILE 132 -8.395 0.778 -3.098 1040 2HG1 ILE 132 1HG1 ILE 132 -9.548 2.064 -2.766 1041 1HG2 ILE 132 1HG2 ILE 132 -8.135 2.825 -6.161 1042 2HG2 ILE 132 3HG2 ILE 132 -8.344 3.511 -4.551 1043 3HG2 ILE 132 2HG2 ILE 132 -7.230 2.160 -4.799 1044 1HD1 ILE 132 3HD1 ILE 132 -11.378 0.531 -3.300 1045 2HD1 ILE 132 2HD1 ILE 132 -10.206 -0.746 -3.621 1046 3HD1 ILE 132 1HD1 ILE 132 -10.368 -0.086 -1.990 1047 H GLU 133 HN GLU 133 -10.516 2.342 -7.903 1048 HA GLU 133 HA GLU 133 -9.767 5.048 -7.916 1049 1HB GLU 133 HB2 GLU 133 -9.958 5.004 -10.336 1050 2HB GLU 133 HB1 GLU 133 -9.045 3.623 -9.739 1051 1HG GLU 133 HG2 GLU 133 -10.990 2.225 -10.029 1052 2HG GLU 133 HG1 GLU 133 -11.901 3.629 -10.583 1053 H HIS 134 HN HIS 134 -12.766 3.448 -7.928 1054 HA HIS 134 HA HIS 134 -14.386 5.651 -8.787 1055 1HB HIS 134 HB2 HIS 134 -14.896 3.093 -8.718 1056 2HB HIS 134 HB1 HIS 134 -15.293 3.388 -7.026 1057 HD1 HIS 134 HD1 HIS 134 -17.189 2.641 -9.700 1058 HD2 HIS 134 HD2 HIS 134 -17.102 6.072 -7.361 1059 HE1 HIS 134 HE1 HIS 134 -19.445 3.702 -9.937 1060 H MET 135 HN MET 135 -13.386 4.243 -5.746 1061 HA MET 135 HA MET 135 -14.645 5.969 -3.914 1062 1HB MET 135 HB2 MET 135 -11.923 4.699 -3.623 1063 2HB MET 135 HB1 MET 135 -12.873 5.378 -2.322 1064 1HG MET 135 HG2 MET 135 -13.595 2.951 -3.955 1065 2HG MET 135 HG1 MET 135 -12.894 2.928 -2.347 1066 1HE MET 135 HE2 MET 135 -16.092 2.833 -4.419 1067 2HE MET 135 HE1 MET 135 -17.297 3.650 -3.433 1068 3HE MET 135 HE3 MET 135 -16.060 4.592 -4.271 1069 H LYS 136 HN LYS 136 -11.466 6.247 -5.451 1070 HA LYS 136 HA LYS 136 -10.877 8.705 -4.165 1071 1HB LYS 136 HB2 LYS 136 -8.892 8.850 -5.499 1072 2HB LYS 136 HB1 LYS 136 -9.117 7.188 -4.979 1073 1HG LYS 136 HG2 LYS 136 -10.089 6.689 -7.176 1074 2HG LYS 136 HG1 LYS 136 -9.726 8.325 -7.677 1075 1HD LYS 136 HD2 LYS 136 -7.998 6.762 -8.445 1076 2HD LYS 136 HD1 LYS 136 -7.342 7.974 -7.344 1077 1HE LYS 136 HE2 LYS 136 -7.363 6.402 -5.538 1078 2HE LYS 136 HE1 LYS 136 -8.169 5.191 -6.515 1079 1HZ LYS 136 HZ1 LYS 136 -6.143 5.237 -7.966 1080 2HZ LYS 136 HZ3 LYS 136 -5.410 6.276 -6.854 1081 3HZ LYS 136 HZ2 LYS 136 -5.831 4.696 -6.425 1082 H THR 137 HN THR 137 -12.755 7.860 -6.878 1083 HA THR 137 HA THR 137 -12.573 10.229 -8.349 1084 HB THR 137 HB THR 137 -13.867 7.746 -8.560 1085 HG1 THR 137 HG1 THR 137 -14.171 8.272 -10.621 1086 1HG2 THR 137 3HG2 THR 137 -15.966 9.932 -8.576 1087 2HG2 THR 137 2HG2 THR 137 -16.189 8.286 -9.224 1088 3HG2 THR 137 1HG2 THR 137 -15.829 8.524 -7.511 1089 H TYR 138 HN TYR 138 -14.127 9.347 -5.357 1090 HA TYR 138 HA TYR 138 -15.646 11.794 -5.254 1091 1HB TYR 138 HB2 TYR 138 -15.296 9.479 -3.338 1092 2HB TYR 138 HB1 TYR 138 -16.351 10.853 -3.021 1093 HD1 TYR 138 HD1 TYR 138 -17.963 11.378 -5.009 1094 HD2 TYR 138 HD2 TYR 138 -16.318 7.523 -4.251 1095 HE1 TYR 138 HE1 TYR 138 -19.777 10.333 -6.311 1096 HE2 TYR 138 HE2 TYR 138 -18.043 6.513 -5.546 1097 HH TYR 138 HH TYR 138 -20.108 8.180 -7.585 1098 H SER 139 HN SER 139 -13.258 10.095 -3.269 1099 HA SER 139 HA SER 139 -11.633 10.690 -1.878 1100 1HB SER 139 HB2 SER 139 -9.989 12.276 -2.721 1101 2HB SER 139 HB1 SER 139 -10.537 11.203 -3.999 1102 HG SER 139 HG SER 139 -12.158 13.191 -4.135 1103 H GLY 140 HN GLY 140 -14.353 12.166 -1.449 1104 1HA GLY 140 HA1 GLY 140 -13.611 14.677 -0.488 1105 2HA GLY 140 HA2 GLY 140 -13.918 13.456 0.769 No H/Q in entry = 1105
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