NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473111 | 2a3j | 6493 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 22 H THR 22 6.059 8.583 -5.668 2 HA THR 22 HA THR 22 7.861 6.438 -6.063 3 HB THR 22 HB THR 22 6.314 6.136 -3.502 4 HG1 THR 22 HG1 THR 22 7.717 7.799 -3.041 5 1HG2 THR 22 1HG2 THR 22 8.155 4.529 -5.089 6 2HG2 THR 22 2HG2 THR 22 7.033 4.038 -3.819 7 3HG2 THR 22 3HG2 THR 22 8.633 4.646 -3.396 8 HA PRO 23 HA PRO 23 3.514 5.948 -7.627 9 1HB PRO 23 2HB PRO 23 4.247 5.409 -10.185 10 2HB PRO 23 3HB PRO 23 4.013 7.052 -9.579 11 1HG PRO 23 2HG PRO 23 6.554 5.516 -9.953 12 2HG PRO 23 3HG PRO 23 6.204 7.210 -10.342 13 1HD PRO 23 2HD PRO 23 7.550 6.476 -8.110 14 2HD PRO 23 3HD PRO 23 6.492 7.901 -8.162 15 HA PRO 24 HA PRO 24 4.314 1.556 -6.945 16 1HB PRO 24 2HB PRO 24 1.725 0.939 -6.410 17 2HB PRO 24 3HB PRO 24 2.806 1.665 -5.215 18 1HG PRO 24 2HG PRO 24 0.731 2.972 -6.933 19 2HG PRO 24 3HG PRO 24 1.091 3.235 -5.216 20 1HD PRO 24 2HD PRO 24 1.963 4.906 -7.161 21 2HD PRO 24 3HD PRO 24 2.885 4.608 -5.674 22 H HIS 25 H HIS 25 1.735 2.946 -8.935 23 HA HIS 25 HA HIS 25 0.836 2.329 -10.931 24 1HB HIS 25 2HB HIS 25 3.615 1.429 -11.026 25 2HB HIS 25 3HB HIS 25 2.557 0.490 -12.075 26 HD1 HIS 25 HD1 HIS 25 3.365 4.147 -11.409 27 HD2 HIS 25 HD2 HIS 25 2.132 1.643 -14.487 28 HE1 HIS 25 HE1 HIS 25 3.299 5.592 -13.467 29 H THR 26 H THR 26 -0.946 1.223 -10.198 30 HA THR 26 HA THR 26 -0.669 -1.706 -10.002 31 HB THR 26 HB THR 26 -2.930 -1.491 -8.739 32 HG1 THR 26 HG1 THR 26 -1.850 1.117 -8.325 33 1HG2 THR 26 1HG2 THR 26 -0.837 -0.358 -7.009 34 2HG2 THR 26 2HG2 THR 26 -0.358 -1.794 -7.914 35 3HG2 THR 26 3HG2 THR 26 -1.759 -1.851 -6.845 36 H GLU 27 H GLU 27 -0.868 -1.602 -12.392 37 HA GLU 27 HA GLU 27 -2.061 -1.998 -14.288 38 1HB GLU 27 2HB GLU 27 -4.484 -2.214 -12.499 39 2HB GLU 27 3HB GLU 27 -4.278 -2.907 -14.101 40 1HG GLU 27 2HG GLU 27 -2.187 -3.820 -12.369 41 2HG GLU 27 3HG GLU 27 -3.760 -4.110 -11.629 42 HA PRO 28 HA PRO 28 -3.686 1.868 -15.584 43 1HB PRO 28 2HB PRO 28 -5.125 1.124 -17.762 44 2HB PRO 28 3HB PRO 28 -3.358 1.144 -17.740 45 1HG PRO 28 2HG PRO 28 -5.231 -1.165 -17.389 46 2HG PRO 28 3HG PRO 28 -3.731 -1.074 -18.330 47 1HD PRO 28 2HD PRO 28 -3.845 -2.217 -15.878 48 2HD PRO 28 3HD PRO 28 -2.399 -1.377 -16.474 49 H SER 29 H SER 29 -5.580 3.143 -15.694 50 HA SER 29 HA SER 29 -8.176 1.983 -15.289 51 1HB SER 29 2HB SER 29 -7.736 3.812 -13.073 52 2HB SER 29 3HB SER 29 -8.412 2.183 -13.064 53 HG SER 29 HG SER 29 -6.355 2.553 -11.894 54 H GLN 30 H GLN 30 -9.020 3.167 -16.920 55 HA GLN 30 HA GLN 30 -8.547 6.042 -17.018 56 1HB GLN 30 2HB GLN 30 -10.251 4.445 -18.920 57 2HB GLN 30 3HB GLN 30 -9.478 5.999 -19.198 58 1HG GLN 30 2HG GLN 30 -7.286 4.921 -19.131 59 2HG GLN 30 3HG GLN 30 -8.066 3.363 -18.863 60 1HE2 GLN 30 1HE2 GLN 30 -8.844 6.042 -21.043 61 2HE2 GLN 30 2HE2 GLN 30 -8.770 5.111 -22.496 62 H VAL 31 H VAL 31 -10.348 4.438 -15.071 63 HA VAL 31 HA VAL 31 -12.593 6.318 -15.235 64 HB VAL 31 HB VAL 31 -14.223 4.618 -14.711 65 1HG1 VAL 31 1HG1 VAL 31 -12.941 3.184 -16.915 66 2HG1 VAL 31 2HG1 VAL 31 -14.499 4.010 -16.851 67 3HG1 VAL 31 3HG1 VAL 31 -13.023 4.930 -17.143 68 1HG2 VAL 31 1HG2 VAL 31 -13.631 2.236 -14.649 69 2HG2 VAL 31 2HG2 VAL 31 -11.927 2.662 -14.805 70 3HG2 VAL 31 3HG2 VAL 31 -12.829 3.145 -13.368 71 H VAL 32 H VAL 32 -13.547 6.846 -13.246 72 HA VAL 32 HA VAL 32 -12.110 5.885 -10.860 73 HB VAL 32 HB VAL 32 -12.121 8.071 -9.893 74 1HG1 VAL 32 1HG1 VAL 32 -10.704 9.318 -11.468 75 2HG1 VAL 32 2HG1 VAL 32 -10.263 7.611 -11.389 76 3HG1 VAL 32 3HG1 VAL 32 -11.192 8.221 -12.759 77 1HG2 VAL 32 1HG2 VAL 32 -13.881 9.360 -10.389 78 2HG2 VAL 32 2HG2 VAL 32 -12.931 9.891 -11.777 79 3HG2 VAL 32 3HG2 VAL 32 -14.113 8.596 -11.962 80 H LEU 33 H LEU 33 -13.316 5.500 -9.048 81 HA LEU 33 HA LEU 33 -16.231 5.695 -9.384 82 1HB LEU 33 2HB LEU 33 -15.848 3.463 -9.070 83 2HB LEU 33 3HB LEU 33 -14.436 3.738 -8.052 84 HG LEU 33 HG LEU 33 -15.874 4.297 -6.172 85 1HD1 LEU 33 1HD1 LEU 33 -17.804 4.738 -8.167 86 2HD1 LEU 33 2HD1 LEU 33 -17.981 4.931 -6.424 87 3HD1 LEU 33 3HD1 LEU 33 -18.391 3.395 -7.186 88 1HD2 LEU 33 1HD2 LEU 33 -16.034 1.715 -7.580 89 2HD2 LEU 33 2HD2 LEU 33 -17.233 1.973 -6.312 90 3HD2 LEU 33 3HD2 LEU 33 -15.513 2.085 -5.936 91 H ILE 34 H ILE 34 -17.240 7.188 -8.230 92 HA ILE 34 HA ILE 34 -15.949 8.195 -5.785 93 HB ILE 34 HB ILE 34 -17.320 10.216 -6.059 94 1HG1 ILE 34 2HG1 ILE 34 -18.961 8.687 -7.594 95 2HG1 ILE 34 3HG1 ILE 34 -18.971 10.447 -7.593 96 1HG2 ILE 34 1HG2 ILE 34 -16.203 11.059 -8.136 97 2HG2 ILE 34 2HG2 ILE 34 -15.122 10.291 -6.974 98 3HG2 ILE 34 3HG2 ILE 34 -15.629 9.416 -8.419 99 1HD1 ILE 34 1HD1 ILE 34 -17.642 10.528 -9.562 100 2HD1 ILE 34 2HD1 ILE 34 -17.340 8.791 -9.497 101 3HD1 ILE 34 3HD1 ILE 34 -18.960 9.392 -9.848 102 H THR 35 H THR 35 -17.165 8.505 -3.905 103 HA THR 35 HA THR 35 -19.899 7.468 -3.861 104 HB THR 35 HB THR 35 -19.528 5.945 -2.071 105 HG1 THR 35 HG1 THR 35 -17.419 5.715 -1.146 106 1HG2 THR 35 1HG2 THR 35 -17.966 4.329 -3.041 107 2HG2 THR 35 2HG2 THR 35 -17.298 5.590 -4.078 108 3HG2 THR 35 3HG2 THR 35 -18.969 5.067 -4.289 109 H ASN 36 H ASN 36 -20.536 7.548 -1.294 110 HA ASN 36 HA ASN 36 -21.151 8.932 0.403 111 1HB ASN 36 2HB ASN 36 -18.429 8.915 0.427 112 2HB ASN 36 3HB ASN 36 -18.747 10.638 0.251 113 1HD2 ASN 36 1HD2 ASN 36 -20.573 11.408 1.765 114 2HD2 ASN 36 2HD2 ASN 36 -20.438 10.881 3.405 115 H ILE 37 H ILE 37 -22.040 9.621 -2.166 116 HA ILE 37 HA ILE 37 -21.937 12.561 -2.153 117 HB ILE 37 HB ILE 37 -22.953 12.348 -4.459 118 1HG1 ILE 37 2HG1 ILE 37 -22.014 9.485 -4.255 119 2HG1 ILE 37 3HG1 ILE 37 -23.698 9.957 -4.062 120 1HG2 ILE 37 1HG2 ILE 37 -20.603 12.870 -4.117 121 2HG2 ILE 37 2HG2 ILE 37 -20.223 11.153 -4.005 122 3HG2 ILE 37 3HG2 ILE 37 -20.808 11.828 -5.525 123 1HD1 ILE 37 1HD1 ILE 37 -22.055 9.749 -6.485 124 2HD1 ILE 37 2HD1 ILE 37 -23.789 9.518 -6.257 125 3HD1 ILE 37 3HD1 ILE 37 -23.129 11.146 -6.409 126 H ASN 38 H ASN 38 -23.738 13.751 -1.840 127 HA ASN 38 HA ASN 38 -26.015 12.539 -0.670 128 1HB ASN 38 2HB ASN 38 -24.959 15.144 -0.884 129 2HB ASN 38 3HB ASN 38 -26.569 15.213 -1.594 130 1HD2 ASN 38 1HD2 ASN 38 -28.102 13.649 -0.171 131 2HD2 ASN 38 2HD2 ASN 38 -28.120 14.091 1.499 132 HA PRO 39 HA PRO 39 -27.983 11.504 -4.558 133 1HB PRO 39 2HB PRO 39 -30.085 10.209 -3.428 134 2HB PRO 39 3HB PRO 39 -28.486 9.476 -3.602 135 1HG PRO 39 2HG PRO 39 -29.728 10.766 -1.203 136 2HG PRO 39 3HG PRO 39 -28.778 9.272 -1.304 137 1HD PRO 39 2HD PRO 39 -27.717 11.619 -0.469 138 2HD PRO 39 3HD PRO 39 -26.770 10.403 -1.350 139 H GLU 40 H GLU 40 -28.974 13.596 -2.091 140 HA GLU 40 HA GLU 40 -31.615 14.175 -2.634 141 1HB GLU 40 2HB GLU 40 -29.351 15.593 -1.429 142 2HB GLU 40 3HB GLU 40 -30.551 16.663 -2.139 143 1HG GLU 40 2HG GLU 40 -32.159 14.983 -0.785 144 2HG GLU 40 3HG GLU 40 -30.720 14.934 0.233 145 H VAL 41 H VAL 41 -28.776 14.940 -4.492 146 HA VAL 41 HA VAL 41 -30.304 16.686 -6.278 147 HB VAL 41 HB VAL 41 -28.123 17.523 -5.637 148 1HG1 VAL 41 1HG1 VAL 41 -27.053 14.959 -6.810 149 2HG1 VAL 41 2HG1 VAL 41 -26.063 16.336 -6.320 150 3HG1 VAL 41 3HG1 VAL 41 -27.001 15.450 -5.117 151 1HG2 VAL 41 1HG2 VAL 41 -28.301 16.611 -8.502 152 2HG2 VAL 41 2HG2 VAL 41 -28.822 18.155 -7.829 153 3HG2 VAL 41 3HG2 VAL 41 -27.105 17.766 -7.916 154 HA PRO 42 HA PRO 42 -30.991 13.378 -9.129 155 1HB PRO 42 2HB PRO 42 -31.722 14.892 -11.261 156 2HB PRO 42 3HB PRO 42 -32.781 14.610 -9.874 157 1HG PRO 42 2HG PRO 42 -31.061 16.980 -10.492 158 2HG PRO 42 3HG PRO 42 -32.722 16.934 -9.873 159 1HD PRO 42 2HD PRO 42 -30.581 17.364 -8.271 160 2HD PRO 42 3HD PRO 42 -32.038 16.518 -7.711 161 H LYS 43 H LYS 43 -29.934 12.353 -10.795 162 HA LYS 43 HA LYS 43 -27.266 12.795 -11.248 163 1HB LYS 43 2HB LYS 43 -28.264 10.696 -11.848 164 2HB LYS 43 3HB LYS 43 -29.314 11.470 -13.028 165 1HG LYS 43 2HG LYS 43 -27.326 12.070 -14.359 166 2HG LYS 43 3HG LYS 43 -26.320 11.199 -13.199 167 1HD LYS 43 2HD LYS 43 -27.599 9.141 -13.689 168 2HD LYS 43 3HD LYS 43 -28.516 10.029 -14.908 169 1HE LYS 43 2HE LYS 43 -25.645 10.327 -15.242 170 2HE LYS 43 3HE LYS 43 -26.155 8.641 -15.308 171 1HZ LYS 43 1HZ LYS 43 -27.538 10.731 -16.874 172 2HZ LYS 43 2HZ LYS 43 -27.543 9.057 -17.115 173 3HZ LYS 43 3HZ LYS 43 -26.155 9.957 -17.467 174 H GLU 44 H GLU 44 -30.011 14.163 -12.960 175 HA GLU 44 HA GLU 44 -28.772 15.198 -15.205 176 1HB GLU 44 2HB GLU 44 -31.280 15.384 -14.073 177 2HB GLU 44 3HB GLU 44 -30.702 17.043 -14.011 178 1HG GLU 44 2HG GLU 44 -30.250 16.973 -16.413 179 2HG GLU 44 3HG GLU 44 -30.847 15.316 -16.471 180 H LYS 45 H LYS 45 -29.188 16.766 -12.036 181 HA LYS 45 HA LYS 45 -27.517 18.991 -12.802 182 1HB LYS 45 2HB LYS 45 -29.265 18.297 -10.552 183 2HB LYS 45 3HB LYS 45 -27.817 19.174 -10.076 184 1HG LYS 45 2HG LYS 45 -29.117 20.961 -10.492 185 2HG LYS 45 3HG LYS 45 -28.583 20.685 -12.151 186 1HD LYS 45 2HD LYS 45 -30.731 20.520 -12.716 187 2HD LYS 45 3HD LYS 45 -30.778 19.002 -11.818 188 1HE LYS 45 2HE LYS 45 -31.566 20.081 -9.862 189 2HE LYS 45 3HE LYS 45 -31.212 21.679 -10.516 190 1HZ LYS 45 1HZ LYS 45 -32.917 21.200 -12.252 191 2HZ LYS 45 2HZ LYS 45 -33.535 21.338 -10.684 192 3HZ LYS 45 3HZ LYS 45 -33.344 19.810 -11.386 193 H LEU 46 H LEU 46 -27.284 16.266 -10.533 194 HA LEU 46 HA LEU 46 -24.818 16.796 -9.416 195 1HB LEU 46 2HB LEU 46 -25.933 15.019 -8.461 196 2HB LEU 46 3HB LEU 46 -26.308 14.284 -10.018 197 HG LEU 46 HG LEU 46 -23.449 14.339 -9.390 198 1HD1 LEU 46 1HD1 LEU 46 -24.541 14.015 -7.134 199 2HD1 LEU 46 2HD1 LEU 46 -23.444 12.737 -7.658 200 3HD1 LEU 46 3HD1 LEU 46 -25.189 12.501 -7.767 201 1HD2 LEU 46 1HD2 LEU 46 -25.298 12.860 -10.940 202 2HD2 LEU 46 2HD2 LEU 46 -24.545 11.744 -9.800 203 3HD2 LEU 46 3HD2 LEU 46 -23.542 12.706 -10.887 204 H GLN 47 H GLN 47 -25.403 14.666 -12.220 205 HA GLN 47 HA GLN 47 -22.792 14.149 -12.911 206 1HB GLN 47 2HB GLN 47 -24.913 13.201 -13.944 207 2HB GLN 47 3HB GLN 47 -24.959 14.644 -14.947 208 1HG GLN 47 2HG GLN 47 -22.416 13.808 -15.358 209 2HG GLN 47 3HG GLN 47 -23.249 12.272 -15.124 210 1HE2 GLN 47 1HE2 GLN 47 -23.726 11.401 -16.999 211 2HE2 GLN 47 2HE2 GLN 47 -24.320 12.232 -18.392 212 H ALA 48 H ALA 48 -24.799 16.888 -13.948 213 HA ALA 48 HA ALA 48 -23.077 18.116 -15.713 214 1HB ALA 48 1HB ALA 48 -24.481 19.887 -15.629 215 2HB ALA 48 2HB ALA 48 -25.494 18.742 -14.749 216 3HB ALA 48 3HB ALA 48 -24.518 19.916 -13.866 217 H LEU 49 H LEU 49 -23.080 18.260 -12.186 218 HA LEU 49 HA LEU 49 -21.018 20.227 -12.011 219 1HB LEU 49 2HB LEU 49 -22.744 18.829 -10.230 220 2HB LEU 49 3HB LEU 49 -21.087 18.645 -9.660 221 HG LEU 49 HG LEU 49 -22.041 20.521 -8.545 222 1HD1 LEU 49 1HD1 LEU 49 -20.521 22.014 -10.587 223 2HD1 LEU 49 2HD1 LEU 49 -19.703 20.636 -9.853 224 3HD1 LEU 49 3HD1 LEU 49 -20.312 21.942 -8.837 225 1HD2 LEU 49 1HD2 LEU 49 -23.495 20.852 -10.920 226 2HD2 LEU 49 2HD2 LEU 49 -22.521 22.311 -10.737 227 3HD2 LEU 49 3HD2 LEU 49 -23.610 21.809 -9.443 228 H LEU 50 H LEU 50 -21.097 16.695 -11.645 229 HA LEU 50 HA LEU 50 -18.441 16.269 -10.968 230 1HB LEU 50 2HB LEU 50 -20.109 14.503 -12.750 231 2HB LEU 50 3HB LEU 50 -18.724 14.018 -11.775 232 HG LEU 50 HG LEU 50 -21.500 14.722 -10.869 233 1HD1 LEU 50 1HD1 LEU 50 -19.745 12.355 -10.249 234 2HD1 LEU 50 2HD1 LEU 50 -20.935 12.392 -11.549 235 3HD1 LEU 50 3HD1 LEU 50 -21.457 12.552 -9.873 236 1HD2 LEU 50 1HD2 LEU 50 -20.657 14.553 -8.557 237 2HD2 LEU 50 2HD2 LEU 50 -20.011 15.951 -9.415 238 3HD2 LEU 50 3HD2 LEU 50 -19.008 14.519 -9.181 239 H TYR 51 H TYR 51 -19.890 16.901 -14.095 240 HA TYR 51 HA TYR 51 -17.574 16.239 -15.627 241 1HB TYR 51 2HB TYR 51 -20.007 16.364 -16.433 242 2HB TYR 51 3HB TYR 51 -19.767 18.106 -16.513 243 HD1 TYR 51 HD1 TYR 51 -17.493 18.775 -17.798 244 HD2 TYR 51 HD2 TYR 51 -19.703 15.187 -18.387 245 HE1 TYR 51 HE1 TYR 51 -16.502 18.539 -20.037 246 HE2 TYR 51 HE2 TYR 51 -18.718 14.941 -20.627 247 HH TYR 51 HH TYR 51 -17.478 17.145 -22.342 248 H ALA 52 H ALA 52 -19.011 19.302 -14.535 249 HA ALA 52 HA ALA 52 -17.261 21.091 -15.690 250 1HB ALA 52 1HB ALA 52 -19.239 21.162 -13.657 251 2HB ALA 52 2HB ALA 52 -17.820 22.031 -13.071 252 3HB ALA 52 3HB ALA 52 -18.575 22.501 -14.594 253 H LEU 53 H LEU 53 -16.944 19.548 -12.493 254 HA LEU 53 HA LEU 53 -14.416 20.678 -11.914 255 1HB LEU 53 2HB LEU 53 -15.457 18.081 -10.816 256 2HB LEU 53 3HB LEU 53 -14.341 19.214 -10.056 257 HG LEU 53 HG LEU 53 -17.257 19.782 -10.584 258 1HD1 LEU 53 1HD1 LEU 53 -15.909 18.346 -8.424 259 2HD1 LEU 53 2HD1 LEU 53 -17.612 18.377 -8.881 260 3HD1 LEU 53 3HD1 LEU 53 -16.945 19.664 -7.877 261 1HD2 LEU 53 1HD2 LEU 53 -16.760 21.577 -8.845 262 2HD2 LEU 53 2HD2 LEU 53 -16.121 21.833 -10.469 263 3HD2 LEU 53 3HD2 LEU 53 -15.056 21.268 -9.180 264 H ALA 54 H ALA 54 -15.400 17.575 -13.303 265 HA ALA 54 HA ALA 54 -12.915 16.327 -13.407 266 1HB ALA 54 1HB ALA 54 -15.236 16.098 -15.318 267 2HB ALA 54 2HB ALA 54 -13.862 14.993 -15.260 268 3HB ALA 54 3HB ALA 54 -14.950 15.121 -13.878 269 H SER 55 H SER 55 -14.507 18.259 -15.948 270 HA SER 55 HA SER 55 -12.456 18.174 -17.822 271 1HB SER 55 2HB SER 55 -14.900 19.189 -17.907 272 2HB SER 55 3HB SER 55 -14.049 20.687 -17.529 273 HG SER 55 HG SER 55 -14.047 19.180 -19.844 274 H SER 56 H SER 56 -12.836 20.162 -14.972 275 HA SER 56 HA SER 56 -10.974 22.165 -15.511 276 1HB SER 56 2HB SER 56 -12.593 21.534 -13.387 277 2HB SER 56 3HB SER 56 -10.987 21.234 -12.723 278 HG SER 56 HG SER 56 -11.514 23.386 -12.398 279 H GLN 57 H GLN 57 -10.520 18.832 -14.739 280 HA GLN 57 HA GLN 57 -7.632 19.278 -14.392 281 1HB GLN 57 2HB GLN 57 -9.373 16.965 -13.531 282 2HB GLN 57 3HB GLN 57 -7.619 16.973 -13.408 283 1HG GLN 57 2HG GLN 57 -9.147 19.198 -12.163 284 2HG GLN 57 3HG GLN 57 -9.136 17.623 -11.371 285 1HE2 GLN 57 1HE2 GLN 57 -7.830 20.433 -11.016 286 2HE2 GLN 57 2HE2 GLN 57 -6.208 20.036 -10.573 287 HN2 GLY 58 H GLY 58 -9.535 16.461 -15.445 288 1HA GLY 58 2HA GLY 58 -7.855 16.384 -17.877 289 2HA GLY 58 3HA GLY 58 -8.336 14.939 -17.001 290 H ASP 59 H ASP 59 -8.839 15.049 -19.653 291 HA ASP 59 HA ASP 59 -11.433 16.091 -20.250 292 1HB ASP 59 2HB ASP 59 -9.658 14.127 -21.710 293 2HB ASP 59 3HB ASP 59 -11.192 14.717 -22.344 294 H ILE 60 H ILE 60 -13.376 15.004 -20.483 295 HA ILE 60 HA ILE 60 -13.512 12.416 -19.092 296 HB ILE 60 HB ILE 60 -15.721 14.426 -19.543 297 1HG1 ILE 60 2HG1 ILE 60 -15.384 14.305 -16.858 298 2HG1 ILE 60 3HG1 ILE 60 -13.726 14.047 -17.390 299 1HG2 ILE 60 1HG2 ILE 60 -16.298 12.616 -17.449 300 2HG2 ILE 60 2HG2 ILE 60 -17.124 12.799 -18.996 301 3HG2 ILE 60 3HG2 ILE 60 -15.781 11.667 -18.843 302 1HD1 ILE 60 1HD1 ILE 60 -14.639 16.184 -18.914 303 2HD1 ILE 60 2HD1 ILE 60 -15.265 16.472 -17.291 304 3HD1 ILE 60 3HD1 ILE 60 -13.534 16.244 -17.541 305 H LEU 61 H LEU 61 -14.277 10.652 -20.099 306 HA LEU 61 HA LEU 61 -15.046 10.933 -22.911 307 1HB LEU 61 2HB LEU 61 -14.537 8.324 -21.538 308 2HB LEU 61 3HB LEU 61 -14.362 8.735 -23.242 309 HG LEU 61 HG LEU 61 -12.518 9.493 -20.981 310 1HD1 LEU 61 1HD1 LEU 61 -11.737 8.038 -23.464 311 2HD1 LEU 61 2HD1 LEU 61 -12.532 7.161 -22.157 312 3HD1 LEU 61 3HD1 LEU 61 -11.010 7.999 -21.858 313 1HD2 LEU 61 1HD2 LEU 61 -12.798 10.561 -23.743 314 2HD2 LEU 61 2HD2 LEU 61 -11.175 10.337 -23.089 315 3HD2 LEU 61 3HD2 LEU 61 -12.327 11.381 -22.255 316 H ASP 62 H ASP 62 -16.285 10.022 -19.812 317 HA ASP 62 HA ASP 62 -18.961 10.144 -20.590 318 1HB ASP 62 2HB ASP 62 -18.820 8.138 -21.797 319 2HB ASP 62 3HB ASP 62 -17.754 7.392 -20.609 320 H ILE 63 H ILE 63 -20.018 10.656 -18.795 321 HA ILE 63 HA ILE 63 -18.875 9.834 -16.217 322 HB ILE 63 HB ILE 63 -20.846 12.049 -16.794 323 1HG1 ILE 63 2HG1 ILE 63 -17.881 12.141 -16.198 324 2HG1 ILE 63 3HG1 ILE 63 -18.645 12.541 -17.733 325 1HG2 ILE 63 1HG2 ILE 63 -19.342 11.405 -14.262 326 2HG2 ILE 63 2HG2 ILE 63 -20.471 12.737 -14.503 327 3HG2 ILE 63 3HG2 ILE 63 -21.050 11.072 -14.544 328 1HD1 ILE 63 1HD1 ILE 63 -18.129 14.580 -16.670 329 2HD1 ILE 63 2HD1 ILE 63 -19.872 14.364 -16.513 330 3HD1 ILE 63 3HD1 ILE 63 -18.816 14.040 -15.139 331 H VAL 64 H VAL 64 -19.805 8.094 -15.370 332 HA VAL 64 HA VAL 64 -22.639 7.569 -15.886 333 HB VAL 64 HB VAL 64 -20.575 5.777 -14.600 334 1HG1 VAL 64 1HG1 VAL 64 -22.416 4.715 -13.881 335 2HG1 VAL 64 2HG1 VAL 64 -23.470 5.570 -15.009 336 3HG1 VAL 64 3HG1 VAL 64 -22.551 4.165 -15.551 337 1HG2 VAL 64 1HG2 VAL 64 -19.842 5.885 -16.780 338 2HG2 VAL 64 2HG2 VAL 64 -20.981 4.542 -16.869 339 3HG2 VAL 64 3HG2 VAL 64 -21.462 6.144 -17.426 340 H VAL 65 H VAL 65 -24.132 7.234 -14.239 341 HA VAL 65 HA VAL 65 -23.279 7.773 -11.490 342 HB VAL 65 HB VAL 65 -25.526 9.261 -12.856 343 1HG1 VAL 65 1HG1 VAL 65 -25.760 10.444 -10.716 344 2HG1 VAL 65 2HG1 VAL 65 -26.089 8.717 -10.554 345 3HG1 VAL 65 3HG1 VAL 65 -24.548 9.378 -10.004 346 1HG2 VAL 65 1HG2 VAL 65 -24.179 11.255 -12.451 347 2HG2 VAL 65 2HG2 VAL 65 -22.902 10.261 -11.749 348 3HG2 VAL 65 3HG2 VAL 65 -23.306 10.100 -13.458 349 H ASP 66 H ASP 66 -24.384 6.644 -9.978 350 HA ASP 66 HA ASP 66 -25.950 4.442 -10.743 351 1HB ASP 66 2HB ASP 66 -26.276 4.046 -8.382 352 2HB ASP 66 3HB ASP 66 -24.621 4.591 -8.639 353 H LEU 67 H LEU 67 -28.067 4.359 -8.944 354 HA LEU 67 HA LEU 67 -29.969 6.089 -10.315 355 1HB LEU 67 2HB LEU 67 -31.646 4.663 -9.052 356 2HB LEU 67 3HB LEU 67 -30.676 3.861 -10.286 357 HG LEU 67 HG LEU 67 -31.103 2.665 -8.035 358 1HD1 LEU 67 1HD1 LEU 67 -28.247 2.494 -8.377 359 2HD1 LEU 67 2HD1 LEU 67 -29.070 2.554 -9.936 360 3HD1 LEU 67 3HD1 LEU 67 -29.500 1.312 -8.759 361 1HD2 LEU 67 1HD2 LEU 67 -30.456 4.621 -6.653 362 2HD2 LEU 67 2HD2 LEU 67 -28.800 4.437 -7.230 363 3HD2 LEU 67 3HD2 LEU 67 -29.547 3.159 -6.271 364 H SER 68 H SER 68 -28.067 6.915 -8.082 365 HA SER 68 HA SER 68 -28.074 8.191 -6.189 366 1HB SER 68 2HB SER 68 -29.030 9.826 -7.682 367 2HB SER 68 3HB SER 68 -30.635 9.117 -7.508 368 HG SER 68 HG SER 68 -30.268 11.013 -6.203 369 H ASP 69 H ASP 69 -28.620 5.842 -5.314 370 HA ASP 69 HA ASP 69 -31.148 5.309 -4.227 371 1HB ASP 69 2HB ASP 69 -28.600 4.083 -4.227 372 2HB ASP 69 3HB ASP 69 -29.082 4.240 -2.540 373 H ASP 70 H ASP 70 -30.899 4.836 -1.564 374 HA ASP 70 HA ASP 70 -30.692 7.559 -0.470 375 1HB ASP 70 2HB ASP 70 -32.584 5.346 -0.073 376 2HB ASP 70 3HB ASP 70 -32.055 6.115 1.421 377 H ASN 71 H ASN 71 -29.367 4.410 -0.327 378 HA ASN 71 HA ASN 71 -27.836 5.155 2.079 379 1HB ASN 71 2HB ASN 71 -29.308 3.303 2.616 380 2HB ASN 71 3HB ASN 71 -28.748 2.405 1.208 381 1HD2 ASN 71 1HD2 ASN 71 -27.416 4.028 4.069 382 2HD2 ASN 71 2HD2 ASN 71 -26.261 2.797 4.438 383 H SER 72 H SER 72 -27.720 4.535 -1.200 384 HA SER 72 HA SER 72 -24.945 3.589 -1.129 385 1HB SER 72 2HB SER 72 -27.166 3.149 -2.906 386 2HB SER 72 3HB SER 72 -25.815 3.837 -3.806 387 HG SER 72 HG SER 72 -24.551 2.142 -2.600 388 HN2 GLY 73 H GLY 73 -26.673 5.765 -3.356 389 1HA GLY 73 2HA GLY 73 -26.003 7.733 -4.339 390 2HA GLY 73 3HA GLY 73 -25.475 8.161 -2.718 391 H LYS 74 H LYS 74 -24.496 6.863 -5.812 392 HA LYS 74 HA LYS 74 -21.793 7.781 -5.348 393 1HB LYS 74 2HB LYS 74 -20.767 5.609 -5.949 394 2HB LYS 74 3HB LYS 74 -21.637 5.549 -4.422 395 1HG LYS 74 2HG LYS 74 -23.480 4.410 -5.449 396 2HG LYS 74 3HG LYS 74 -22.762 4.604 -7.049 397 1HD LYS 74 2HD LYS 74 -21.471 2.802 -6.783 398 2HD LYS 74 3HD LYS 74 -20.940 3.330 -5.185 399 1HE LYS 74 2HE LYS 74 -23.210 2.533 -4.349 400 2HE LYS 74 3HE LYS 74 -23.383 1.735 -5.912 401 1HZ LYS 74 1HZ LYS 74 -22.236 0.051 -5.082 402 2HZ LYS 74 2HZ LYS 74 -21.937 0.883 -3.641 403 3HZ LYS 74 3HZ LYS 74 -20.879 1.052 -4.949 404 H ALA 75 H ALA 75 -20.429 7.027 -7.415 405 HA ALA 75 HA ALA 75 -21.853 6.735 -9.855 406 1HB ALA 75 1HB ALA 75 -20.996 9.497 -9.055 407 2HB ALA 75 2HB ALA 75 -21.158 9.029 -10.748 408 3HB ALA 75 3HB ALA 75 -22.557 8.959 -9.675 409 H TYR 76 H TYR 76 -20.258 7.511 -11.749 410 HA TYR 76 HA TYR 76 -17.480 6.986 -11.019 411 1HB TYR 76 2HB TYR 76 -18.625 5.444 -13.316 412 2HB TYR 76 3HB TYR 76 -17.201 5.098 -12.342 413 HD1 TYR 76 HD1 TYR 76 -17.370 3.855 -10.294 414 HD2 TYR 76 HD2 TYR 76 -20.873 4.900 -12.471 415 HE1 TYR 76 HE1 TYR 76 -18.680 2.283 -8.929 416 HE2 TYR 76 HE2 TYR 76 -22.193 3.333 -11.112 417 HH TYR 76 HH TYR 76 -20.665 1.345 -8.596 418 H ILE 77 H ILE 77 -16.151 8.290 -12.090 419 HA ILE 77 HA ILE 77 -17.176 9.650 -14.491 420 HB ILE 77 HB ILE 77 -14.907 10.577 -12.734 421 1HG1 ILE 77 2HG1 ILE 77 -17.818 11.402 -12.682 422 2HG1 ILE 77 3HG1 ILE 77 -16.975 10.505 -11.423 423 1HG2 ILE 77 1HG2 ILE 77 -16.506 12.429 -14.392 424 2HG2 ILE 77 2HG2 ILE 77 -14.779 12.426 -14.034 425 3HG2 ILE 77 3HG2 ILE 77 -15.430 11.325 -15.248 426 1HD1 ILE 77 1HD1 ILE 77 -16.902 12.599 -10.544 427 2HD1 ILE 77 2HD1 ILE 77 -15.397 12.613 -11.465 428 3HD1 ILE 77 3HD1 ILE 77 -16.841 13.383 -12.123 429 H VAL 78 H VAL 78 -16.410 8.821 -16.314 430 HA VAL 78 HA VAL 78 -13.868 7.423 -16.368 431 HB VAL 78 HB VAL 78 -15.714 7.951 -18.696 432 1HG1 VAL 78 1HG1 VAL 78 -13.168 6.832 -18.556 433 2HG1 VAL 78 2HG1 VAL 78 -14.264 5.455 -18.692 434 3HG1 VAL 78 3HG1 VAL 78 -14.299 6.734 -19.906 435 1HG2 VAL 78 1HG2 VAL 78 -16.720 5.780 -18.254 436 2HG2 VAL 78 2HG2 VAL 78 -15.719 5.592 -16.814 437 3HG2 VAL 78 3HG2 VAL 78 -16.945 6.858 -16.876 438 H PHE 79 H PHE 79 -12.000 8.301 -16.955 439 HA PHE 79 HA PHE 79 -12.047 10.920 -18.294 440 1HB PHE 79 2HB PHE 79 -10.086 9.648 -16.398 441 2HB PHE 79 3HB PHE 79 -9.620 11.006 -17.417 442 HD1 PHE 79 HD1 PHE 79 -10.702 13.200 -17.125 443 HD2 PHE 79 HD2 PHE 79 -11.465 9.947 -14.488 444 HE1 PHE 79 HE1 PHE 79 -11.639 14.764 -15.472 445 HE2 PHE 79 HE2 PHE 79 -12.403 11.505 -12.832 446 HZ PHE 79 HZ PHE 79 -12.492 13.917 -13.323 447 H ALA 80 H ALA 80 -9.758 11.245 -19.448 448 HA ALA 80 HA ALA 80 -9.807 9.586 -21.725 449 1HB ALA 80 1HB ALA 80 -7.485 10.762 -22.091 450 2HB ALA 80 2HB ALA 80 -8.992 11.670 -22.216 451 3HB ALA 80 3HB ALA 80 -8.027 11.762 -20.743 452 H THR 81 H THR 81 -7.705 9.657 -18.886 453 HA THR 81 HA THR 81 -7.037 6.903 -19.171 454 HB THR 81 HB THR 81 -4.457 8.144 -19.176 455 HG1 THR 81 HG1 THR 81 -4.557 8.953 -21.361 456 1HG2 THR 81 1HG2 THR 81 -5.935 6.166 -20.876 457 2HG2 THR 81 2HG2 THR 81 -4.567 5.902 -19.794 458 3HG2 THR 81 3HG2 THR 81 -4.326 6.720 -21.337 459 H GLN 82 H GLN 82 -5.309 6.270 -17.525 460 HA GLN 82 HA GLN 82 -6.078 7.032 -14.986 461 1HB GLN 82 2HB GLN 82 -4.487 5.093 -15.940 462 2HB GLN 82 3HB GLN 82 -3.253 6.184 -15.323 463 1HG GLN 82 2HG GLN 82 -5.387 5.815 -13.413 464 2HG GLN 82 3HG GLN 82 -4.670 4.278 -13.894 465 1HE2 GLN 82 1HE2 GLN 82 -3.595 7.569 -13.098 466 2HE2 GLN 82 2HE2 GLN 82 -2.287 7.079 -12.082 467 H GLU 83 H GLU 83 -3.747 8.501 -17.116 468 HA GLU 83 HA GLU 83 -2.280 10.013 -15.281 469 1HB GLU 83 2HB GLU 83 -2.791 10.084 -18.176 470 2HB GLU 83 3HB GLU 83 -2.376 11.641 -17.475 471 1HG GLU 83 2HG GLU 83 -0.734 9.158 -17.069 472 2HG GLU 83 3HG GLU 83 -0.456 10.309 -18.374 473 H SER 84 H SER 84 -5.208 10.889 -17.104 474 HA SER 84 HA SER 84 -5.467 13.436 -15.839 475 1HB SER 84 2HB SER 84 -6.990 11.846 -17.809 476 2HB SER 84 3HB SER 84 -7.953 12.954 -16.832 477 HG SER 84 HG SER 84 -6.137 13.485 -18.817 478 H ALA 85 H ALA 85 -7.092 10.305 -15.450 479 HA ALA 85 HA ALA 85 -8.990 10.991 -13.561 480 1HB ALA 85 1HB ALA 85 -7.907 8.426 -12.902 481 2HB ALA 85 2HB ALA 85 -9.432 8.822 -13.695 482 3HB ALA 85 3HB ALA 85 -7.968 8.611 -14.655 483 H GLN 86 H GLN 86 -5.730 9.690 -12.910 484 HA GLN 86 HA GLN 86 -5.812 9.913 -10.137 485 1HB GLN 86 2HB GLN 86 -4.076 8.643 -11.239 486 2HB GLN 86 3HB GLN 86 -3.459 10.091 -12.022 487 1HG GLN 86 2HG GLN 86 -3.564 10.252 -9.103 488 2HG GLN 86 3HG GLN 86 -2.481 9.010 -9.730 489 1HE2 GLN 86 1HE2 GLN 86 -0.762 10.263 -8.828 490 2HE2 GLN 86 2HE2 GLN 86 -0.147 11.635 -9.680 491 H ALA 87 H ALA 87 -5.080 12.304 -12.593 492 HA ALA 87 HA ALA 87 -3.965 14.274 -10.913 493 1HB ALA 87 1HB ALA 87 -5.509 14.720 -13.463 494 2HB ALA 87 2HB ALA 87 -4.335 15.810 -12.724 495 3HB ALA 87 3HB ALA 87 -3.806 14.264 -13.389 496 H PHE 88 H PHE 88 -7.296 13.729 -12.020 497 HA PHE 88 HA PHE 88 -8.352 15.963 -10.582 498 1HB PHE 88 2HB PHE 88 -9.543 15.243 -12.527 499 2HB PHE 88 3HB PHE 88 -9.655 13.593 -11.923 500 HD1 PHE 88 HD1 PHE 88 -11.042 16.951 -11.777 501 HD2 PHE 88 HD2 PHE 88 -11.228 13.024 -10.146 502 HE1 PHE 88 HE1 PHE 88 -13.227 17.475 -10.774 503 HE2 PHE 88 HE2 PHE 88 -13.414 13.541 -9.142 504 HZ PHE 88 HZ PHE 88 -14.416 15.769 -9.456 505 H VAL 89 H VAL 89 -8.028 12.516 -9.968 506 HA VAL 89 HA VAL 89 -9.669 12.368 -7.684 507 HB VAL 89 HB VAL 89 -7.275 10.690 -8.443 508 1HG1 VAL 89 1HG1 VAL 89 -7.435 10.038 -6.285 509 2HG1 VAL 89 2HG1 VAL 89 -9.095 10.613 -6.121 510 3HG1 VAL 89 3HG1 VAL 89 -8.769 9.067 -6.907 511 1HG2 VAL 89 1HG2 VAL 89 -9.857 10.879 -9.554 512 2HG2 VAL 89 2HG2 VAL 89 -8.607 9.688 -9.912 513 3HG2 VAL 89 3HG2 VAL 89 -9.799 9.364 -8.653 514 H GLU 90 H GLU 90 -6.220 13.056 -8.077 515 HA GLU 90 HA GLU 90 -5.799 13.296 -5.231 516 1HB GLU 90 2HB GLU 90 -3.528 13.643 -5.730 517 2HB GLU 90 3HB GLU 90 -4.079 12.501 -6.948 518 1HG GLU 90 2HG GLU 90 -3.051 13.882 -8.371 519 2HG GLU 90 3HG GLU 90 -4.522 14.841 -8.223 520 H ALA 91 H ALA 91 -6.634 15.368 -7.866 521 HA ALA 91 HA ALA 91 -5.833 17.823 -6.623 522 1HB ALA 91 1HB ALA 91 -7.696 17.303 -8.937 523 2HB ALA 91 2HB ALA 91 -7.114 18.891 -8.437 524 3HB ALA 91 3HB ALA 91 -5.977 17.683 -9.034 525 H PHE 92 H PHE 92 -8.586 15.757 -6.437 526 HA PHE 92 HA PHE 92 -9.967 17.776 -4.795 527 1HB PHE 92 2HB PHE 92 -11.127 15.795 -6.750 528 2HB PHE 92 3HB PHE 92 -12.102 16.572 -5.507 529 HD1 PHE 92 HD1 PHE 92 -13.252 18.461 -6.100 530 HD2 PHE 92 HD2 PHE 92 -9.650 17.511 -8.160 531 HE1 PHE 92 HE1 PHE 92 -13.589 20.401 -7.576 532 HE2 PHE 92 HE2 PHE 92 -9.981 19.450 -9.638 533 HZ PHE 92 HZ PHE 92 -11.952 20.898 -9.347 534 H GLN 93 H GLN 93 -8.201 15.138 -4.539 535 HA GLN 93 HA GLN 93 -9.559 13.163 -3.217 536 1HB GLN 93 2HB GLN 93 -7.266 12.806 -3.641 537 2HB GLN 93 3HB GLN 93 -6.795 14.273 -2.793 538 1HG GLN 93 2HG GLN 93 -6.219 12.293 -1.515 539 2HG GLN 93 3HG GLN 93 -7.420 13.268 -0.671 540 1HE2 GLN 93 1HE2 GLN 93 -8.651 11.919 0.434 541 2HE2 GLN 93 2HE2 GLN 93 -9.391 10.486 -0.184 542 HN2 GLY 94 H GLY 94 -8.621 16.319 -2.003 543 1HA GLY 94 2HA GLY 94 -10.222 15.770 0.411 544 2HA GLY 94 3HA GLY 94 -8.642 16.526 0.548 545 H TYR 95 H TYR 95 -11.694 16.951 -1.244 546 HA TYR 95 HA TYR 95 -11.604 19.800 -0.547 547 1HB TYR 95 2HB TYR 95 -10.747 19.715 -2.799 548 2HB TYR 95 3HB TYR 95 -12.065 18.666 -3.311 549 HD1 TYR 95 HD1 TYR 95 -11.031 22.085 -2.655 550 HD2 TYR 95 HD2 TYR 95 -14.355 19.578 -3.537 551 HE1 TYR 95 HE1 TYR 95 -12.344 24.062 -3.299 552 HE2 TYR 95 HE2 TYR 95 -15.676 21.549 -4.184 553 HH TYR 95 HH TYR 95 -15.720 23.758 -4.365 554 HA PRO 96 HA PRO 96 -15.789 19.004 0.618 555 1HB PRO 96 2HB PRO 96 -16.590 21.584 0.887 556 2HB PRO 96 3HB PRO 96 -15.550 20.774 2.065 557 1HG PRO 96 2HG PRO 96 -14.804 22.650 -0.146 558 2HG PRO 96 3HG PRO 96 -14.207 22.593 1.523 559 1HD PRO 96 2HD PRO 96 -12.813 21.566 -0.559 560 2HD PRO 96 3HD PRO 96 -12.742 20.871 1.074 561 H PHE 97 H PHE 97 -16.930 18.166 -1.062 562 HA PHE 97 HA PHE 97 -17.998 20.081 -3.029 563 1HB PHE 97 2HB PHE 97 -16.505 18.717 -4.266 564 2HB PHE 97 3HB PHE 97 -17.038 17.254 -3.444 565 HD1 PHE 97 HD1 PHE 97 -17.937 19.781 -5.960 566 HD2 PHE 97 HD2 PHE 97 -18.955 16.052 -4.178 567 HE1 PHE 97 HE1 PHE 97 -19.544 19.357 -7.774 568 HE2 PHE 97 HE2 PHE 97 -20.562 15.621 -5.990 569 HZ PHE 97 HZ PHE 97 -20.858 17.274 -7.792 570 H GLN 98 H GLN 98 -20.150 20.174 -3.183 571 HA GLN 98 HA GLN 98 -22.351 19.793 -2.753 572 1HB GLN 98 2HB GLN 98 -21.214 17.246 -3.561 573 2HB GLN 98 3HB GLN 98 -22.593 17.029 -2.491 574 1HG GLN 98 2HG GLN 98 -23.023 17.107 -5.004 575 2HG GLN 98 3HG GLN 98 -24.057 18.078 -3.956 576 1HE2 GLN 98 1HE2 GLN 98 -24.605 19.517 -5.565 577 2HE2 GLN 98 2HE2 GLN 98 -23.489 20.668 -6.210 578 HN2 GLY 99 H GLY 99 -20.358 19.946 -0.511 579 1HA GLY 99 2HA GLY 99 -21.842 20.045 1.689 580 2HA GLY 99 3HA GLY 99 -21.602 18.309 1.557 581 H ASN 100 H ASN 100 -19.299 17.583 1.396 582 HA ASN 100 HA ASN 100 -17.120 19.165 2.086 583 1HB ASN 100 2HB ASN 100 -17.753 19.699 4.215 584 2HB ASN 100 3HB ASN 100 -18.785 18.281 4.379 585 1HD2 ASN 100 1HD2 ASN 100 -18.090 17.301 6.152 586 2HD2 ASN 100 2HD2 ASN 100 -16.455 16.838 6.467 587 HA PRO 101 HA PRO 101 -16.034 14.546 2.992 588 1HB PRO 101 2HB PRO 101 -18.081 12.763 3.008 589 2HB PRO 101 3HB PRO 101 -17.548 13.626 4.456 590 1HG PRO 101 2HG PRO 101 -19.856 14.214 2.642 591 2HG PRO 101 3HG PRO 101 -19.787 14.250 4.413 592 1HD PRO 101 2HD PRO 101 -19.639 16.493 2.904 593 2HD PRO 101 3HD PRO 101 -18.797 16.331 4.458 594 H LEU 102 H LEU 102 -15.206 14.822 0.876 595 HA LEU 102 HA LEU 102 -16.787 13.511 -1.238 596 1HB LEU 102 2HB LEU 102 -16.428 15.834 -1.756 597 2HB LEU 102 3HB LEU 102 -14.701 15.675 -1.445 598 HG LEU 102 HG LEU 102 -14.649 14.059 -3.407 599 1HD1 LEU 102 1HD1 LEU 102 -16.555 13.486 -4.377 600 2HD1 LEU 102 2HD1 LEU 102 -16.835 15.171 -4.815 601 3HD1 LEU 102 3HD1 LEU 102 -17.449 14.544 -3.286 602 1HD2 LEU 102 1HD2 LEU 102 -13.642 16.008 -3.978 603 2HD2 LEU 102 2HD2 LEU 102 -15.016 16.996 -3.479 604 3HD2 LEU 102 3HD2 LEU 102 -15.057 16.142 -5.023 605 H VAL 103 H VAL 103 -16.049 11.593 -1.834 606 HA VAL 103 HA VAL 103 -13.193 10.990 -1.426 607 HB VAL 103 HB VAL 103 -14.799 9.609 -0.104 608 1HG1 VAL 103 1HG1 VAL 103 -16.309 9.576 -2.364 609 2HG1 VAL 103 2HG1 VAL 103 -15.554 7.982 -2.424 610 3HG1 VAL 103 3HG1 VAL 103 -16.499 8.460 -1.013 611 1HG2 VAL 103 1HG2 VAL 103 -12.521 8.838 -0.850 612 2HG2 VAL 103 2HG2 VAL 103 -13.669 7.552 -0.476 613 3HG2 VAL 103 3HG2 VAL 103 -13.327 7.968 -2.156 614 H ILE 104 H ILE 104 -11.978 10.327 -3.108 615 HA ILE 104 HA ILE 104 -13.305 9.609 -5.622 616 HB ILE 104 HB ILE 104 -11.265 10.981 -6.659 617 1HG1 ILE 104 2HG1 ILE 104 -10.764 11.661 -4.163 618 2HG1 ILE 104 3HG1 ILE 104 -10.578 12.833 -5.463 619 1HG2 ILE 104 1HG2 ILE 104 -13.992 11.949 -5.865 620 2HG2 ILE 104 2HG2 ILE 104 -12.901 12.933 -6.839 621 3HG2 ILE 104 3HG2 ILE 104 -13.442 11.364 -7.435 622 1HD1 ILE 104 1HD1 ILE 104 -11.841 13.448 -3.260 623 2HD1 ILE 104 2HD1 ILE 104 -12.412 14.035 -4.822 624 3HD1 ILE 104 3HD1 ILE 104 -13.193 12.649 -4.062 625 H THR 105 H THR 105 -12.494 7.794 -6.421 626 HA THR 105 HA THR 105 -9.654 7.197 -6.109 627 HB THR 105 HB THR 105 -10.277 4.796 -5.493 628 HG1 THR 105 HG1 THR 105 -12.742 6.104 -5.236 629 1HG2 THR 105 1HG2 THR 105 -9.183 6.091 -3.850 630 2HG2 THR 105 2HG2 THR 105 -10.609 5.431 -3.047 631 3HG2 THR 105 3HG2 THR 105 -10.601 7.108 -3.594 632 H PHE 106 H PHE 106 -9.063 5.187 -7.380 633 HA PHE 106 HA PHE 106 -10.184 5.437 -10.018 634 1HB PHE 106 2HB PHE 106 -8.105 3.461 -9.063 635 2HB PHE 106 3HB PHE 106 -8.415 3.960 -10.723 636 HD1 PHE 106 HD1 PHE 106 -7.663 6.113 -11.538 637 HD2 PHE 106 HD2 PHE 106 -6.887 4.877 -7.539 638 HE1 PHE 106 HE1 PHE 106 -5.989 7.902 -11.313 639 HE2 PHE 106 HE2 PHE 106 -5.212 6.665 -7.308 640 HZ PHE 106 HZ PHE 106 -4.762 8.180 -9.196 641 H SER 107 H SER 107 -10.072 2.948 -11.093 642 HA SER 107 HA SER 107 -11.677 1.123 -9.515 643 1HB SER 107 2HB SER 107 -13.028 2.993 -11.027 644 2HB SER 107 3HB SER 107 -12.961 1.599 -12.106 645 HG SER 107 HG SER 107 -14.066 1.756 -9.507 646 H GLU 108 H GLU 108 -12.535 -0.619 -11.371 647 HA GLU 108 HA GLU 108 -10.033 -1.494 -12.646 648 1HB GLU 108 2HB GLU 108 -12.413 -3.047 -11.634 649 2HB GLU 108 3HB GLU 108 -11.156 -3.767 -12.630 650 1HG GLU 108 2HG GLU 108 -9.501 -3.038 -10.890 651 2HG GLU 108 3HG GLU 108 -10.875 -2.603 -9.875 652 H THR 109 H THR 109 -10.015 -2.209 -14.766 653 HA THR 109 HA THR 109 -12.492 -1.887 -16.312 654 HB THR 109 HB THR 109 -11.181 -0.796 -18.137 655 HG1 THR 109 HG1 THR 109 -9.201 -0.548 -16.097 656 1HG2 THR 109 1HG2 THR 109 -11.323 1.389 -17.236 657 2HG2 THR 109 2HG2 THR 109 -11.029 0.812 -15.596 658 3HG2 THR 109 3HG2 THR 109 -12.555 0.446 -16.399 659 HA PRO 110 HA PRO 110 -10.254 -5.851 -17.281 660 1HB PRO 110 2HB PRO 110 -12.457 -7.424 -17.079 661 2HB PRO 110 3HB PRO 110 -11.441 -7.013 -15.693 662 1HG PRO 110 2HG PRO 110 -14.038 -5.805 -16.562 663 2HG PRO 110 3HG PRO 110 -13.498 -6.242 -14.931 664 1HD PRO 110 2HD PRO 110 -13.435 -3.697 -15.854 665 2HD PRO 110 3HD PRO 110 -12.243 -4.322 -14.697 666 H GLN 111 H GLN 111 -10.965 -7.516 -18.979 667 HA GLN 111 HA GLN 111 -12.823 -6.544 -20.971 668 1HB GLN 111 2HB GLN 111 -10.520 -5.414 -21.320 669 2HB GLN 111 3HB GLN 111 -9.993 -6.998 -21.875 670 1HG GLN 111 2HG GLN 111 -10.833 -6.603 -23.877 671 2HG GLN 111 3HG GLN 111 -12.433 -6.354 -23.181 672 1HE2 GLN 111 1HE2 GLN 111 -10.059 -4.968 -24.983 673 2HE2 GLN 111 2HE2 GLN 111 -10.469 -3.303 -24.771 674 H SER 112 H SER 112 -12.860 -8.843 -19.401 675 HA SER 112 HA SER 112 -11.915 -11.036 -21.063 676 1HB SER 112 2HB SER 112 -12.484 -10.696 -18.290 677 2HB SER 112 3HB SER 112 -13.536 -11.969 -18.909 678 HG SER 112 HG SER 112 -10.710 -11.841 -19.149 679 H GLN 113 H GLN 113 -14.841 -9.322 -20.346 680 HA GLN 113 HA GLN 113 -16.786 -11.170 -21.037 681 1HB GLN 113 2HB GLN 113 -18.168 -9.193 -21.685 682 2HB GLN 113 3HB GLN 113 -17.413 -9.051 -20.103 683 1HG GLN 113 2HG GLN 113 -15.737 -7.573 -20.972 684 2HG GLN 113 3HG GLN 113 -16.320 -7.815 -22.617 685 1HE2 GLN 113 1HE2 GLN 113 -16.121 -5.490 -20.600 686 2HE2 GLN 113 2HE2 GLN 113 -17.661 -4.720 -20.740 687 H VAL 114 H VAL 114 -14.583 -9.392 -23.063 688 HA VAL 114 HA VAL 114 -15.971 -10.258 -25.488 689 HB VAL 114 HB VAL 114 -14.411 -8.833 -26.705 690 1HG1 VAL 114 1HG1 VAL 114 -16.496 -7.925 -25.591 691 2HG1 VAL 114 2HG1 VAL 114 -15.431 -7.273 -24.345 692 3HG1 VAL 114 3HG1 VAL 114 -15.262 -6.741 -26.018 693 1HG2 VAL 114 1HG2 VAL 114 -12.817 -7.405 -25.463 694 2HG2 VAL 114 2HG2 VAL 114 -13.190 -8.310 -23.996 695 3HG2 VAL 114 3HG2 VAL 114 -12.425 -9.121 -25.362 696 H ALA 115 H ALA 115 -13.049 -10.812 -23.652 697 HA ALA 115 HA ALA 115 -11.498 -12.148 -25.538 698 1HB ALA 115 1HB ALA 115 -10.715 -11.446 -23.301 699 2HB ALA 115 2HB ALA 115 -11.651 -12.761 -22.590 700 3HB ALA 115 3HB ALA 115 -10.311 -13.122 -23.678 701 H GLU 116 H GLU 116 -13.925 -13.454 -23.291 702 HA GLU 116 HA GLU 116 -13.642 -16.150 -24.033 703 1HB GLU 116 2HB GLU 116 -15.302 -14.629 -22.299 704 2HB GLU 116 3HB GLU 116 -16.353 -15.623 -23.299 705 1HG GLU 116 2HG GLU 116 -14.860 -17.574 -22.660 706 2HG GLU 116 3HG GLU 116 -14.177 -16.507 -21.435 707 H ASP 117 H ASP 117 -15.539 -13.525 -25.381 708 HA ASP 117 HA ASP 117 -15.850 -14.906 -27.863 709 1HB ASP 117 2HB ASP 117 -17.657 -15.944 -26.470 710 2HB ASP 117 3HB ASP 117 -18.385 -14.348 -26.312 Start of MODEL 2 1 H THR 22 H THR 22 1.806 0.001 0.856 2 HA THR 22 HA THR 22 2.190 1.023 -1.573 3 HB THR 22 HB THR 22 3.427 -1.643 -0.889 4 HG1 THR 22 HG1 THR 22 3.757 0.893 0.263 5 1HG2 THR 22 1HG2 THR 22 4.288 0.725 -2.539 6 2HG2 THR 22 2HG2 THR 22 4.078 -0.948 -3.058 7 3HG2 THR 22 3HG2 THR 22 5.416 -0.516 -1.993 8 HA PRO 23 HA PRO 23 -0.786 -1.966 -3.575 9 1HB PRO 23 2HB PRO 23 -2.207 -0.064 -4.891 10 2HB PRO 23 3HB PRO 23 -2.585 -0.576 -3.242 11 1HG PRO 23 2HG PRO 23 -1.067 1.829 -4.176 12 2HG PRO 23 3HG PRO 23 -2.291 1.705 -2.899 13 1HD PRO 23 2HD PRO 23 0.363 1.779 -2.371 14 2HD PRO 23 3HD PRO 23 -0.786 0.876 -1.363 15 HA PRO 24 HA PRO 24 2.086 -1.580 -7.039 16 1HB PRO 24 2HB PRO 24 1.649 -4.092 -7.971 17 2HB PRO 24 3HB PRO 24 2.720 -3.746 -6.608 18 1HG PRO 24 2HG PRO 24 -0.113 -4.711 -6.592 19 2HG PRO 24 3HG PRO 24 1.257 -5.246 -5.602 20 1HD PRO 24 2HD PRO 24 -0.630 -3.539 -4.676 21 2HD PRO 24 3HD PRO 24 1.064 -3.468 -4.148 22 H HIS 25 H HIS 25 1.755 -1.046 -9.141 23 HA HIS 25 HA HIS 25 -1.008 -1.221 -10.135 24 1HB HIS 25 2HB HIS 25 -0.238 0.617 -11.719 25 2HB HIS 25 3HB HIS 25 -0.360 1.057 -10.019 26 HD1 HIS 25 HD1 HIS 25 2.074 0.674 -12.794 27 HD2 HIS 25 HD2 HIS 25 2.119 1.508 -8.724 28 HE1 HIS 25 HE1 HIS 25 4.384 1.542 -12.311 29 H THR 26 H THR 26 -1.452 -2.070 -12.132 30 HA THR 26 HA THR 26 0.812 -3.266 -13.591 31 HB THR 26 HB THR 26 -0.861 -5.086 -14.255 32 HG1 THR 26 HG1 THR 26 -2.763 -5.056 -13.325 33 1HG2 THR 26 1HG2 THR 26 -0.079 -6.451 -12.584 34 2HG2 THR 26 2HG2 THR 26 -0.342 -5.244 -11.325 35 3HG2 THR 26 3HG2 THR 26 1.034 -5.094 -12.417 36 H GLU 27 H GLU 27 -2.667 -2.552 -13.967 37 HA GLU 27 HA GLU 27 -2.088 -1.686 -16.723 38 1HB GLU 27 2HB GLU 27 -4.265 -2.353 -17.365 39 2HB GLU 27 3HB GLU 27 -3.637 -3.666 -16.379 40 1HG GLU 27 2HG GLU 27 -4.872 -2.216 -14.485 41 2HG GLU 27 3HG GLU 27 -5.876 -1.823 -15.880 42 HA PRO 28 HA PRO 28 -3.349 2.411 -15.778 43 1HB PRO 28 2HB PRO 28 -4.462 3.170 -18.135 44 2HB PRO 28 3HB PRO 28 -2.720 2.967 -17.916 45 1HG PRO 28 2HG PRO 28 -4.709 1.087 -19.130 46 2HG PRO 28 3HG PRO 28 -3.079 1.507 -19.690 47 1HD PRO 28 2HD PRO 28 -3.612 -0.778 -18.338 48 2HD PRO 28 3HD PRO 28 -2.061 0.075 -18.198 49 H SER 29 H SER 29 -5.362 3.930 -16.244 50 HA SER 29 HA SER 29 -7.913 2.606 -16.267 51 1HB SER 29 2HB SER 29 -7.243 4.077 -13.724 52 2HB SER 29 3HB SER 29 -8.600 2.997 -14.044 53 HG SER 29 HG SER 29 -7.203 1.765 -12.925 54 H GLN 30 H GLN 30 -8.915 3.932 -17.633 55 HA GLN 30 HA GLN 30 -8.467 6.812 -17.461 56 1HB GLN 30 2HB GLN 30 -10.161 5.387 -19.503 57 2HB GLN 30 3HB GLN 30 -9.414 6.974 -19.627 58 1HG GLN 30 2HG GLN 30 -7.188 5.831 -19.564 59 2HG GLN 30 3HG GLN 30 -8.049 4.298 -19.691 60 1HE2 GLN 30 1HE2 GLN 30 -10.038 4.960 -21.465 61 2HE2 GLN 30 2HE2 GLN 30 -9.341 5.324 -23.003 62 H VAL 31 H VAL 31 -10.150 5.117 -15.578 63 HA VAL 31 HA VAL 31 -12.498 6.875 -15.642 64 HB VAL 31 HB VAL 31 -14.012 5.079 -15.091 65 1HG1 VAL 31 1HG1 VAL 31 -12.858 5.467 -17.559 66 2HG1 VAL 31 2HG1 VAL 31 -12.773 3.717 -17.347 67 3HG1 VAL 31 3HG1 VAL 31 -14.327 4.544 -17.237 68 1HG2 VAL 31 1HG2 VAL 31 -13.094 3.379 -13.947 69 2HG2 VAL 31 2HG2 VAL 31 -12.781 2.692 -15.540 70 3HG2 VAL 31 3HG2 VAL 31 -11.515 3.590 -14.704 71 H VAL 32 H VAL 32 -13.404 7.342 -13.621 72 HA VAL 32 HA VAL 32 -11.847 6.426 -11.292 73 HB VAL 32 HB VAL 32 -11.943 8.596 -10.297 74 1HG1 VAL 32 1HG1 VAL 32 -11.124 8.838 -13.190 75 2HG1 VAL 32 2HG1 VAL 32 -10.645 9.935 -11.894 76 3HG1 VAL 32 3HG1 VAL 32 -10.118 8.252 -11.866 77 1HG2 VAL 32 1HG2 VAL 32 -14.030 9.035 -12.290 78 2HG2 VAL 32 2HG2 VAL 32 -13.789 9.793 -10.716 79 3HG2 VAL 32 3HG2 VAL 32 -12.915 10.392 -12.126 80 H LEU 33 H LEU 33 -12.973 5.973 -9.441 81 HA LEU 33 HA LEU 33 -15.904 6.013 -9.685 82 1HB LEU 33 2HB LEU 33 -15.398 3.798 -9.423 83 2HB LEU 33 3HB LEU 33 -13.970 4.129 -8.445 84 HG LEU 33 HG LEU 33 -15.376 4.586 -6.513 85 1HD1 LEU 33 1HD1 LEU 33 -17.525 5.101 -6.685 86 2HD1 LEU 33 2HD1 LEU 33 -17.871 3.564 -7.477 87 3HD1 LEU 33 3HD1 LEU 33 -17.385 4.961 -8.438 88 1HD2 LEU 33 1HD2 LEU 33 -16.368 2.006 -7.670 89 2HD2 LEU 33 2HD2 LEU 33 -15.912 2.379 -6.008 90 3HD2 LEU 33 3HD2 LEU 33 -14.669 2.222 -7.249 91 H ILE 34 H ILE 34 -16.933 7.457 -8.489 92 HA ILE 34 HA ILE 34 -15.616 8.490 -6.070 93 HB ILE 34 HB ILE 34 -17.110 10.432 -6.261 94 1HG1 ILE 34 2HG1 ILE 34 -18.722 8.833 -7.752 95 2HG1 ILE 34 3HG1 ILE 34 -18.827 10.590 -7.732 96 1HG2 ILE 34 1HG2 ILE 34 -14.958 10.647 -7.256 97 2HG2 ILE 34 2HG2 ILE 34 -15.467 9.759 -8.691 98 3HG2 ILE 34 3HG2 ILE 34 -16.124 11.363 -8.369 99 1HD1 ILE 34 1HD1 ILE 34 -17.175 9.048 -9.712 100 2HD1 ILE 34 2HD1 ILE 34 -18.842 9.551 -9.997 101 3HD1 ILE 34 3HD1 ILE 34 -17.586 10.763 -9.748 102 H THR 35 H THR 35 -16.773 8.707 -4.140 103 HA THR 35 HA THR 35 -19.447 7.538 -4.003 104 HB THR 35 HB THR 35 -18.928 5.985 -2.269 105 HG1 THR 35 HG1 THR 35 -16.174 6.555 -2.359 106 1HG2 THR 35 1HG2 THR 35 -17.519 4.411 -3.392 107 2HG2 THR 35 2HG2 THR 35 -16.716 5.692 -4.299 108 3HG2 THR 35 3HG2 THR 35 -18.404 5.304 -4.627 109 H ASN 36 H ASN 36 -19.960 7.512 -1.404 110 HA ASN 36 HA ASN 36 -20.535 8.810 0.373 111 1HB ASN 36 2HB ASN 36 -17.948 8.814 0.517 112 2HB ASN 36 3HB ASN 36 -18.065 10.463 -0.088 113 1HD2 ASN 36 1HD2 ASN 36 -16.922 10.123 2.290 114 2HD2 ASN 36 2HD2 ASN 36 -17.961 10.652 3.565 115 H ILE 37 H ILE 37 -21.603 9.510 -2.132 116 HA ILE 37 HA ILE 37 -21.685 12.450 -2.021 117 HB ILE 37 HB ILE 37 -22.780 12.255 -4.288 118 1HG1 ILE 37 2HG1 ILE 37 -21.676 9.443 -4.222 119 2HG1 ILE 37 3HG1 ILE 37 -23.376 9.817 -3.959 120 1HG2 ILE 37 1HG2 ILE 37 -20.424 12.873 -3.973 121 2HG2 ILE 37 2HG2 ILE 37 -19.977 11.170 -4.047 122 3HG2 ILE 37 3HG2 ILE 37 -20.674 11.960 -5.461 123 1HD1 ILE 37 1HD1 ILE 37 -21.784 9.855 -6.444 124 2HD1 ILE 37 2HD1 ILE 37 -23.463 9.385 -6.171 125 3HD1 ILE 37 3HD1 ILE 37 -23.029 11.092 -6.268 126 H ASN 38 H ASN 38 -23.637 13.536 -1.902 127 HA ASN 38 HA ASN 38 -25.760 12.123 -0.584 128 1HB ASN 38 2HB ASN 38 -24.863 14.730 -0.560 129 2HB ASN 38 3HB ASN 38 -26.364 14.848 -1.474 130 1HD2 ASN 38 1HD2 ASN 38 -25.029 14.875 1.550 131 2HD2 ASN 38 2HD2 ASN 38 -26.449 14.564 2.484 132 HA PRO 39 HA PRO 39 -27.774 11.104 -4.450 133 1HB PRO 39 2HB PRO 39 -29.769 9.656 -3.313 134 2HB PRO 39 3HB PRO 39 -28.136 9.022 -3.550 135 1HG PRO 39 2HG PRO 39 -29.385 10.163 -1.080 136 2HG PRO 39 3HG PRO 39 -28.355 8.729 -1.254 137 1HD PRO 39 2HD PRO 39 -27.407 11.106 -0.368 138 2HD PRO 39 3HD PRO 39 -26.416 9.975 -1.312 139 H GLU 40 H GLU 40 -28.815 13.059 -1.894 140 HA GLU 40 HA GLU 40 -31.498 13.502 -2.351 141 1HB GLU 40 2HB GLU 40 -29.265 15.175 -1.315 142 2HB GLU 40 3HB GLU 40 -30.770 15.988 -1.721 143 1HG GLU 40 2HG GLU 40 -31.708 13.917 -0.269 144 2HG GLU 40 3HG GLU 40 -30.139 14.168 0.495 145 H VAL 41 H VAL 41 -28.758 14.491 -4.253 146 HA VAL 41 HA VAL 41 -30.422 16.207 -5.938 147 HB VAL 41 HB VAL 41 -28.257 17.117 -5.339 148 1HG1 VAL 41 1HG1 VAL 41 -26.176 16.046 -6.138 149 2HG1 VAL 41 2HG1 VAL 41 -27.029 15.078 -4.934 150 3HG1 VAL 41 3HG1 VAL 41 -27.122 14.646 -6.642 151 1HG2 VAL 41 1HG2 VAL 41 -27.332 17.479 -7.642 152 2HG2 VAL 41 2HG2 VAL 41 -28.505 16.300 -8.228 153 3HG2 VAL 41 3HG2 VAL 41 -29.058 17.797 -7.478 154 HA PRO 42 HA PRO 42 -31.063 12.964 -8.872 155 1HB PRO 42 2HB PRO 42 -31.924 14.510 -10.931 156 2HB PRO 42 3HB PRO 42 -32.926 14.141 -9.522 157 1HG PRO 42 2HG PRO 42 -31.326 16.600 -10.116 158 2HG PRO 42 3HG PRO 42 -32.962 16.465 -9.448 159 1HD PRO 42 2HD PRO 42 -30.791 16.936 -7.900 160 2HD PRO 42 3HD PRO 42 -32.193 16.012 -7.323 161 H LYS 43 H LYS 43 -30.006 12.030 -10.585 162 HA LYS 43 HA LYS 43 -27.378 12.613 -11.112 163 1HB LYS 43 2HB LYS 43 -28.275 10.480 -11.729 164 2HB LYS 43 3HB LYS 43 -29.421 11.217 -12.841 165 1HG LYS 43 2HG LYS 43 -26.598 11.799 -13.399 166 2HG LYS 43 3HG LYS 43 -27.071 10.107 -13.575 167 1HD LYS 43 2HD LYS 43 -29.111 11.212 -14.868 168 2HD LYS 43 3HD LYS 43 -27.927 12.498 -15.119 169 1HE LYS 43 2HE LYS 43 -26.498 11.115 -16.321 170 2HE LYS 43 3HE LYS 43 -27.207 9.643 -15.661 171 1HZ LYS 43 1HZ LYS 43 -27.919 9.853 -17.899 172 2HZ LYS 43 2HZ LYS 43 -28.399 11.460 -17.679 173 3HZ LYS 43 3HZ LYS 43 -29.257 10.211 -16.927 174 H GLU 44 H GLU 44 -30.243 13.877 -12.704 175 HA GLU 44 HA GLU 44 -29.134 15.018 -14.966 176 1HB GLU 44 2HB GLU 44 -31.608 15.039 -13.786 177 2HB GLU 44 3HB GLU 44 -31.118 16.719 -13.628 178 1HG GLU 44 2HG GLU 44 -30.641 16.733 -16.075 179 2HG GLU 44 3HG GLU 44 -31.346 15.120 -16.163 180 H LYS 45 H LYS 45 -29.520 16.507 -11.755 181 HA LYS 45 HA LYS 45 -27.978 18.820 -12.529 182 1HB LYS 45 2HB LYS 45 -28.928 18.009 -9.776 183 2HB LYS 45 3HB LYS 45 -28.364 19.602 -10.265 184 1HG LYS 45 2HG LYS 45 -30.490 18.844 -11.990 185 2HG LYS 45 3HG LYS 45 -30.995 18.568 -10.321 186 1HD LYS 45 2HD LYS 45 -29.583 21.103 -10.782 187 2HD LYS 45 3HD LYS 45 -31.138 20.960 -11.605 188 1HE LYS 45 2HE LYS 45 -31.717 19.995 -9.115 189 2HE LYS 45 3HE LYS 45 -30.529 21.247 -8.754 190 1HZ LYS 45 1HZ LYS 45 -32.005 22.829 -9.187 191 2HZ LYS 45 2HZ LYS 45 -33.196 21.628 -9.220 192 3HZ LYS 45 3HZ LYS 45 -32.461 22.130 -10.658 193 H LEU 46 H LEU 46 -27.544 16.063 -10.331 194 HA LEU 46 HA LEU 46 -25.072 16.689 -9.277 195 1HB LEU 46 2HB LEU 46 -26.066 14.840 -8.327 196 2HB LEU 46 3HB LEU 46 -26.462 14.122 -9.887 197 HG LEU 46 HG LEU 46 -23.588 14.295 -9.358 198 1HD1 LEU 46 1HD1 LEU 46 -23.435 12.700 -7.647 199 2HD1 LEU 46 2HD1 LEU 46 -25.153 12.314 -7.734 200 3HD1 LEU 46 3HD1 LEU 46 -24.630 13.863 -7.074 201 1HD2 LEU 46 1HD2 LEU 46 -25.407 12.784 -10.896 202 2HD2 LEU 46 2HD2 LEU 46 -24.609 11.664 -9.790 203 3HD2 LEU 46 3HD2 LEU 46 -23.646 12.674 -10.870 204 H GLN 47 H GLN 47 -25.647 14.597 -12.113 205 HA GLN 47 HA GLN 47 -23.038 14.216 -12.895 206 1HB GLN 47 2HB GLN 47 -25.166 13.213 -13.885 207 2HB GLN 47 3HB GLN 47 -25.271 14.668 -14.868 208 1HG GLN 47 2HG GLN 47 -22.730 13.939 -15.371 209 2HG GLN 47 3HG GLN 47 -23.460 12.361 -15.081 210 1HE2 GLN 47 1HE2 GLN 47 -22.401 13.474 -17.545 211 2HE2 GLN 47 2HE2 GLN 47 -23.699 13.452 -18.685 212 H ALA 48 H ALA 48 -25.195 16.888 -13.795 213 HA ALA 48 HA ALA 48 -23.591 18.235 -15.584 214 1HB ALA 48 1HB ALA 48 -25.993 18.737 -14.647 215 2HB ALA 48 2HB ALA 48 -25.110 19.832 -13.582 216 3HB ALA 48 3HB ALA 48 -24.999 20.023 -15.332 217 H LEU 49 H LEU 49 -23.480 18.298 -12.055 218 HA LEU 49 HA LEU 49 -21.493 20.342 -11.902 219 1HB LEU 49 2HB LEU 49 -23.032 18.715 -10.077 220 2HB LEU 49 3HB LEU 49 -21.350 18.832 -9.563 221 HG LEU 49 HG LEU 49 -22.630 20.536 -8.460 222 1HD1 LEU 49 1HD1 LEU 49 -20.365 21.012 -9.997 223 2HD1 LEU 49 2HD1 LEU 49 -20.971 21.998 -8.667 224 3HD1 LEU 49 3HD1 LEU 49 -21.428 22.380 -10.327 225 1HD2 LEU 49 1HD2 LEU 49 -24.421 20.571 -10.260 226 2HD2 LEU 49 2HD2 LEU 49 -23.370 21.684 -11.138 227 3HD2 LEU 49 3HD2 LEU 49 -23.987 22.124 -9.545 228 H LEU 50 H LEU 50 -21.418 16.803 -11.602 229 HA LEU 50 HA LEU 50 -18.725 16.474 -11.028 230 1HB LEU 50 2HB LEU 50 -20.395 14.674 -12.773 231 2HB LEU 50 3HB LEU 50 -18.946 14.227 -11.875 232 HG LEU 50 HG LEU 50 -21.702 14.794 -10.827 233 1HD1 LEU 50 1HD1 LEU 50 -19.820 12.502 -10.312 234 2HD1 LEU 50 2HD1 LEU 50 -21.048 12.502 -11.577 235 3HD1 LEU 50 3HD1 LEU 50 -21.528 12.613 -9.884 236 1HD2 LEU 50 1HD2 LEU 50 -19.126 14.684 -9.263 237 2HD2 LEU 50 2HD2 LEU 50 -20.742 14.622 -8.557 238 3HD2 LEU 50 3HD2 LEU 50 -20.209 16.067 -9.419 239 H TYR 51 H TYR 51 -20.309 17.120 -14.082 240 HA TYR 51 HA TYR 51 -18.037 16.562 -15.717 241 1HB TYR 51 2HB TYR 51 -20.363 16.521 -16.572 242 2HB TYR 51 3HB TYR 51 -20.462 18.263 -16.339 243 HD1 TYR 51 HD1 TYR 51 -19.366 15.600 -18.509 244 HD2 TYR 51 HD2 TYR 51 -18.969 19.759 -17.700 245 HE1 TYR 51 HE1 TYR 51 -18.449 15.945 -20.765 246 HE2 TYR 51 HE2 TYR 51 -18.051 20.115 -19.954 247 HH TYR 51 HH TYR 51 -16.902 17.699 -21.873 248 H ALA 52 H ALA 52 -19.503 19.546 -14.465 249 HA ALA 52 HA ALA 52 -17.853 21.415 -15.653 250 1HB ALA 52 1HB ALA 52 -19.754 21.382 -13.547 251 2HB ALA 52 2HB ALA 52 -18.339 22.278 -12.994 252 3HB ALA 52 3HB ALA 52 -19.164 22.760 -14.476 253 H LEU 53 H LEU 53 -17.385 19.859 -12.479 254 HA LEU 53 HA LEU 53 -14.870 21.030 -11.973 255 1HB LEU 53 2HB LEU 53 -15.825 18.383 -10.911 256 2HB LEU 53 3HB LEU 53 -14.672 19.491 -10.170 257 HG LEU 53 HG LEU 53 -17.604 20.092 -10.541 258 1HD1 LEU 53 1HD1 LEU 53 -17.504 19.811 -7.963 259 2HD1 LEU 53 2HD1 LEU 53 -16.095 18.807 -8.305 260 3HD1 LEU 53 3HD1 LEU 53 -17.665 18.385 -8.989 261 1HD2 LEU 53 1HD2 LEU 53 -15.633 21.874 -10.228 262 2HD2 LEU 53 2HD2 LEU 53 -15.915 21.460 -8.537 263 3HD2 LEU 53 3HD2 LEU 53 -17.238 22.082 -9.525 264 H ALA 54 H ALA 54 -15.803 17.923 -13.395 265 HA ALA 54 HA ALA 54 -13.281 16.769 -13.623 266 1HB ALA 54 1HB ALA 54 -15.675 16.490 -15.435 267 2HB ALA 54 2HB ALA 54 -14.257 15.441 -15.470 268 3HB ALA 54 3HB ALA 54 -15.281 15.492 -14.035 269 H SER 55 H SER 55 -15.041 18.714 -16.039 270 HA SER 55 HA SER 55 -13.047 18.734 -17.992 271 1HB SER 55 2HB SER 55 -15.273 19.460 -18.548 272 2HB SER 55 3HB SER 55 -15.199 20.765 -17.365 273 HG SER 55 HG SER 55 -14.693 21.096 -19.795 274 H SER 56 H SER 56 -13.467 20.689 -15.120 275 HA SER 56 HA SER 56 -11.727 22.789 -15.685 276 1HB SER 56 2HB SER 56 -13.191 21.912 -13.463 277 2HB SER 56 3HB SER 56 -11.516 21.967 -12.914 278 HG SER 56 HG SER 56 -13.218 24.005 -13.450 279 H GLN 57 H GLN 57 -11.070 19.479 -14.961 280 HA GLN 57 HA GLN 57 -8.205 20.078 -14.664 281 1HB GLN 57 2HB GLN 57 -9.818 17.666 -13.829 282 2HB GLN 57 3HB GLN 57 -8.061 17.726 -13.772 283 1HG GLN 57 2HG GLN 57 -9.694 19.803 -12.377 284 2HG GLN 57 3HG GLN 57 -9.419 18.227 -11.637 285 1HE2 GLN 57 1HE2 GLN 57 -6.893 17.632 -12.216 286 2HE2 GLN 57 2HE2 GLN 57 -5.805 18.807 -11.567 287 HN2 GLY 58 H GLY 58 -10.024 17.237 -15.815 288 1HA GLY 58 2HA GLY 58 -8.368 17.316 -18.262 289 2HA GLY 58 3HA GLY 58 -8.742 15.817 -17.424 290 H ASP 59 H ASP 59 -9.333 15.812 -19.994 291 HA ASP 59 HA ASP 59 -11.981 16.777 -20.549 292 1HB ASP 59 2HB ASP 59 -10.407 14.737 -22.126 293 2HB ASP 59 3HB ASP 59 -11.726 15.751 -22.703 294 H ILE 60 H ILE 60 -13.872 15.595 -20.750 295 HA ILE 60 HA ILE 60 -13.843 12.986 -19.390 296 HB ILE 60 HB ILE 60 -16.156 14.898 -19.728 297 1HG1 ILE 60 2HG1 ILE 60 -15.700 14.726 -17.051 298 2HG1 ILE 60 3HG1 ILE 60 -14.058 14.603 -17.672 299 1HG2 ILE 60 1HG2 ILE 60 -16.065 12.129 -19.080 300 2HG2 ILE 60 2HG2 ILE 60 -16.568 13.026 -17.647 301 3HG2 ILE 60 3HG2 ILE 60 -17.464 13.201 -19.156 302 1HD1 ILE 60 1HD1 ILE 60 -14.024 16.808 -17.799 303 2HD1 ILE 60 2HD1 ILE 60 -15.234 16.707 -19.079 304 3HD1 ILE 60 3HD1 ILE 60 -15.739 16.906 -17.401 305 H LEU 61 H LEU 61 -14.567 11.206 -20.402 306 HA LEU 61 HA LEU 61 -15.448 11.502 -23.180 307 1HB LEU 61 2HB LEU 61 -14.765 8.894 -21.883 308 2HB LEU 61 3HB LEU 61 -14.668 9.350 -23.583 309 HG LEU 61 HG LEU 61 -12.788 10.154 -21.367 310 1HD1 LEU 61 1HD1 LEU 61 -12.770 8.140 -23.515 311 2HD1 LEU 61 2HD1 LEU 61 -11.939 8.155 -21.959 312 3HD1 LEU 61 3HD1 LEU 61 -11.282 9.067 -23.318 313 1HD2 LEU 61 1HD2 LEU 61 -12.725 12.067 -22.613 314 2HD2 LEU 61 2HD2 LEU 61 -13.209 11.250 -24.100 315 3HD2 LEU 61 3HD2 LEU 61 -11.556 11.091 -23.504 316 H ASP 62 H ASP 62 -16.524 10.470 -20.058 317 HA ASP 62 HA ASP 62 -19.230 10.477 -20.734 318 1HB ASP 62 2HB ASP 62 -17.982 8.134 -21.621 319 2HB ASP 62 3HB ASP 62 -18.823 7.670 -20.145 320 H ILE 63 H ILE 63 -20.235 10.911 -18.891 321 HA ILE 63 HA ILE 63 -18.961 10.092 -16.374 322 HB ILE 63 HB ILE 63 -21.054 12.221 -16.831 323 1HG1 ILE 63 2HG1 ILE 63 -18.074 12.440 -16.349 324 2HG1 ILE 63 3HG1 ILE 63 -18.919 12.838 -17.842 325 1HG2 ILE 63 1HG2 ILE 63 -19.423 11.604 -14.372 326 2HG2 ILE 63 2HG2 ILE 63 -20.624 12.882 -14.542 327 3HG2 ILE 63 3HG2 ILE 63 -21.123 11.191 -14.596 328 1HD1 ILE 63 1HD1 ILE 63 -20.209 14.536 -16.428 329 2HD1 ILE 63 2HD1 ILE 63 -18.938 14.293 -15.230 330 3HD1 ILE 63 3HD1 ILE 63 -18.532 14.893 -16.837 331 H VAL 64 H VAL 64 -19.775 8.287 -15.543 332 HA VAL 64 HA VAL 64 -22.597 7.635 -15.967 333 HB VAL 64 HB VAL 64 -20.398 5.934 -14.782 334 1HG1 VAL 64 1HG1 VAL 64 -22.339 4.239 -15.673 335 2HG1 VAL 64 2HG1 VAL 64 -22.145 4.765 -13.999 336 3HG1 VAL 64 3HG1 VAL 64 -23.293 5.588 -15.056 337 1HG2 VAL 64 1HG2 VAL 64 -20.351 4.778 -16.902 338 2HG2 VAL 64 2HG2 VAL 64 -21.636 5.809 -17.531 339 3HG2 VAL 64 3HG2 VAL 64 -20.053 6.496 -17.167 340 H VAL 65 H VAL 65 -24.023 7.223 -14.284 341 HA VAL 65 HA VAL 65 -23.108 7.775 -11.555 342 HB VAL 65 HB VAL 65 -25.491 9.127 -12.830 343 1HG1 VAL 65 1HG1 VAL 65 -25.911 8.521 -10.503 344 2HG1 VAL 65 2HG1 VAL 65 -24.415 9.321 -10.018 345 3HG1 VAL 65 3HG1 VAL 65 -25.747 10.267 -10.683 346 1HG2 VAL 65 1HG2 VAL 65 -22.934 10.328 -11.773 347 2HG2 VAL 65 2HG2 VAL 65 -23.299 10.073 -13.480 348 3HG2 VAL 65 3HG2 VAL 65 -24.274 11.192 -12.528 349 H ASP 66 H ASP 66 -24.072 6.552 -10.026 350 HA ASP 66 HA ASP 66 -25.539 4.273 -10.764 351 1HB ASP 66 2HB ASP 66 -24.190 5.088 -8.511 352 2HB ASP 66 3HB ASP 66 -25.867 5.104 -7.971 353 H LEU 67 H LEU 67 -27.558 4.048 -8.857 354 HA LEU 67 HA LEU 67 -29.625 5.664 -10.123 355 1HB LEU 67 2HB LEU 67 -31.148 4.143 -8.776 356 2HB LEU 67 3HB LEU 67 -30.199 3.401 -10.062 357 HG LEU 67 HG LEU 67 -30.435 2.180 -7.797 358 1HD1 LEU 67 1HD1 LEU 67 -28.814 0.926 -8.644 359 2HD1 LEU 67 2HD1 LEU 67 -27.602 2.150 -8.263 360 3HD1 LEU 67 3HD1 LEU 67 -28.474 2.219 -9.794 361 1HD2 LEU 67 1HD2 LEU 67 -28.197 4.078 -7.106 362 2HD2 LEU 67 2HD2 LEU 67 -28.825 2.763 -6.113 363 3HD2 LEU 67 3HD2 LEU 67 -29.830 4.174 -6.446 364 H SER 68 H SER 68 -27.638 6.478 -7.885 365 HA SER 68 HA SER 68 -27.634 7.753 -5.994 366 1HB SER 68 2HB SER 68 -30.372 8.745 -6.711 367 2HB SER 68 3HB SER 68 -28.986 9.643 -6.091 368 HG SER 68 HG SER 68 -28.030 9.518 -8.100 369 H ASP 69 H ASP 69 -28.135 5.364 -5.162 370 HA ASP 69 HA ASP 69 -30.630 4.798 -4.011 371 1HB ASP 69 2HB ASP 69 -28.139 3.533 -4.180 372 2HB ASP 69 3HB ASP 69 -28.436 3.721 -2.453 373 H ASP 70 H ASP 70 -30.267 4.250 -1.366 374 HA ASP 70 HA ASP 70 -30.081 6.949 -0.215 375 1HB ASP 70 2HB ASP 70 -32.164 5.226 -0.083 376 2HB ASP 70 3HB ASP 70 -31.291 4.769 1.378 377 H ASN 71 H ASN 71 -28.626 3.854 -0.220 378 HA ASN 71 HA ASN 71 -27.001 4.604 2.122 379 1HB ASN 71 2HB ASN 71 -26.926 2.400 2.862 380 2HB ASN 71 3HB ASN 71 -28.575 2.526 2.259 381 1HD2 ASN 71 1HD2 ASN 71 -29.093 1.575 0.254 382 2HD2 ASN 71 2HD2 ASN 71 -28.127 0.302 -0.404 383 H SER 72 H SER 72 -27.031 4.072 -1.180 384 HA SER 72 HA SER 72 -24.222 3.249 -1.289 385 1HB SER 72 2HB SER 72 -26.263 3.534 -3.507 386 2HB SER 72 3HB SER 72 -24.617 2.933 -3.704 387 HG SER 72 HG SER 72 -25.804 1.131 -3.450 388 HN2 GLY 73 H GLY 73 -26.128 5.469 -3.318 389 1HA GLY 73 2HA GLY 73 -25.563 7.499 -4.241 390 2HA GLY 73 3HA GLY 73 -24.991 7.873 -2.622 391 H LYS 74 H LYS 74 -24.077 6.704 -5.795 392 HA LYS 74 HA LYS 74 -21.407 7.746 -5.418 393 1HB LYS 74 2HB LYS 74 -20.302 5.628 -6.095 394 2HB LYS 74 3HB LYS 74 -21.089 5.524 -4.526 395 1HG LYS 74 2HG LYS 74 -22.875 4.244 -5.403 396 2HG LYS 74 3HG LYS 74 -22.381 4.571 -7.066 397 1HD LYS 74 2HD LYS 74 -21.030 2.804 -7.059 398 2HD LYS 74 3HD LYS 74 -20.204 3.391 -5.613 399 1HE LYS 74 2HE LYS 74 -21.580 2.195 -4.186 400 2HE LYS 74 3HE LYS 74 -22.875 2.070 -5.376 401 1HZ LYS 74 1HZ LYS 74 -22.007 -0.037 -5.396 402 2HZ LYS 74 2HZ LYS 74 -20.417 0.478 -5.137 403 3HZ LYS 74 3HZ LYS 74 -21.131 0.670 -6.659 404 H ALA 75 H ALA 75 -20.085 7.089 -7.542 405 HA ALA 75 HA ALA 75 -21.582 6.745 -9.932 406 1HB ALA 75 1HB ALA 75 -22.392 8.869 -9.942 407 2HB ALA 75 2HB ALA 75 -21.046 9.508 -8.997 408 3HB ALA 75 3HB ALA 75 -20.835 9.168 -10.715 409 H TYR 76 H TYR 76 -20.102 7.619 -11.873 410 HA TYR 76 HA TYR 76 -17.275 7.230 -11.252 411 1HB TYR 76 2HB TYR 76 -18.417 5.660 -13.530 412 2HB TYR 76 3HB TYR 76 -16.951 5.371 -12.601 413 HD1 TYR 76 HD1 TYR 76 -17.001 4.097 -10.566 414 HD2 TYR 76 HD2 TYR 76 -20.612 5.000 -12.628 415 HE1 TYR 76 HE1 TYR 76 -18.195 2.449 -9.185 416 HE2 TYR 76 HE2 TYR 76 -21.816 3.355 -11.252 417 HH TYR 76 HH TYR 76 -20.205 1.635 -8.614 418 H ILE 77 H ILE 77 -16.054 8.613 -12.354 419 HA ILE 77 HA ILE 77 -17.235 9.945 -14.699 420 HB ILE 77 HB ILE 77 -14.950 10.973 -13.020 421 1HG1 ILE 77 2HG1 ILE 77 -17.894 11.648 -12.830 422 2HG1 ILE 77 3HG1 ILE 77 -16.965 10.757 -11.630 423 1HG2 ILE 77 1HG2 ILE 77 -16.732 12.738 -14.592 424 2HG2 ILE 77 2HG2 ILE 77 -15.001 12.858 -14.282 425 3HG2 ILE 77 3HG2 ILE 77 -15.604 11.725 -15.492 426 1HD1 ILE 77 1HD1 ILE 77 -17.348 13.114 -11.027 427 2HD1 ILE 77 2HD1 ILE 77 -15.638 12.702 -11.152 428 3HD1 ILE 77 3HD1 ILE 77 -16.425 13.601 -12.448 429 H VAL 78 H VAL 78 -16.494 9.167 -16.556 430 HA VAL 78 HA VAL 78 -13.879 7.919 -16.715 431 HB VAL 78 HB VAL 78 -15.828 8.343 -18.977 432 1HG1 VAL 78 1HG1 VAL 78 -14.294 5.913 -19.037 433 2HG1 VAL 78 2HG1 VAL 78 -14.367 7.220 -20.220 434 3HG1 VAL 78 3HG1 VAL 78 -13.228 7.307 -18.875 435 1HG2 VAL 78 1HG2 VAL 78 -16.702 6.114 -18.495 436 2HG2 VAL 78 2HG2 VAL 78 -15.674 6.011 -17.066 437 3HG2 VAL 78 3HG2 VAL 78 -16.969 7.206 -17.136 438 H PHE 79 H PHE 79 -12.091 8.901 -17.382 439 HA PHE 79 HA PHE 79 -12.348 11.512 -18.715 440 1HB PHE 79 2HB PHE 79 -10.239 10.381 -16.889 441 2HB PHE 79 3HB PHE 79 -9.918 11.777 -17.911 442 HD1 PHE 79 HD1 PHE 79 -11.746 10.528 -15.009 443 HD2 PHE 79 HD2 PHE 79 -10.977 13.907 -17.479 444 HE1 PHE 79 HE1 PHE 79 -12.742 11.996 -13.304 445 HE2 PHE 79 HE2 PHE 79 -11.971 15.381 -15.778 446 HZ PHE 79 HZ PHE 79 -12.855 14.427 -13.687 447 H ALA 80 H ALA 80 -10.182 11.997 -19.984 448 HA ALA 80 HA ALA 80 -10.177 10.339 -22.243 449 1HB ALA 80 1HB ALA 80 -8.808 12.740 -21.372 450 2HB ALA 80 2HB ALA 80 -7.766 11.695 -22.339 451 3HB ALA 80 3HB ALA 80 -9.309 12.248 -22.990 452 H THR 81 H THR 81 -7.929 10.548 -19.513 453 HA THR 81 HA THR 81 -7.152 7.811 -19.835 454 HB THR 81 HB THR 81 -4.679 9.328 -19.895 455 HG1 THR 81 HG1 THR 81 -4.904 10.376 -21.750 456 1HG2 THR 81 1HG2 THR 81 -5.227 7.543 -22.128 457 2HG2 THR 81 2HG2 THR 81 -5.578 6.802 -20.566 458 3HG2 THR 81 3HG2 THR 81 -3.972 7.453 -20.893 459 H GLN 82 H GLN 82 -5.382 7.234 -18.229 460 HA GLN 82 HA GLN 82 -6.135 7.947 -15.664 461 1HB GLN 82 2HB GLN 82 -4.517 6.055 -16.666 462 2HB GLN 82 3HB GLN 82 -3.298 7.169 -16.062 463 1HG GLN 82 2HG GLN 82 -5.449 6.636 -14.162 464 2HG GLN 82 3HG GLN 82 -4.517 5.209 -14.611 465 1HE2 GLN 82 1HE2 GLN 82 -3.278 4.866 -12.883 466 2HE2 GLN 82 2HE2 GLN 82 -2.192 6.018 -12.193 467 H GLU 83 H GLU 83 -3.920 9.515 -17.835 468 HA GLU 83 HA GLU 83 -2.418 11.029 -16.035 469 1HB GLU 83 2HB GLU 83 -3.052 11.134 -18.898 470 2HB GLU 83 3HB GLU 83 -2.696 12.704 -18.191 471 1HG GLU 83 2HG GLU 83 -0.601 11.640 -17.242 472 2HG GLU 83 3HG GLU 83 -0.935 10.278 -18.309 473 H SER 84 H SER 84 -5.409 11.929 -17.750 474 HA SER 84 HA SER 84 -5.689 14.395 -16.339 475 1HB SER 84 2HB SER 84 -7.151 12.933 -18.422 476 2HB SER 84 3HB SER 84 -8.194 13.849 -17.335 477 HG SER 84 HG SER 84 -6.618 14.746 -19.314 478 H ALA 85 H ALA 85 -7.283 11.230 -16.118 479 HA ALA 85 HA ALA 85 -9.156 11.787 -14.162 480 1HB ALA 85 1HB ALA 85 -8.010 9.188 -13.709 481 2HB ALA 85 2HB ALA 85 -9.585 9.619 -14.377 482 3HB ALA 85 3HB ALA 85 -8.181 9.497 -15.437 483 H GLN 86 H GLN 86 -5.878 10.471 -13.644 484 HA GLN 86 HA GLN 86 -5.895 10.478 -10.873 485 1HB GLN 86 2HB GLN 86 -4.119 9.378 -12.031 486 2HB GLN 86 3HB GLN 86 -3.629 10.868 -12.825 487 1HG GLN 86 2HG GLN 86 -3.577 11.053 -9.922 488 2HG GLN 86 3HG GLN 86 -2.513 9.801 -10.561 489 1HE2 GLN 86 1HE2 GLN 86 -0.562 10.700 -10.330 490 2HE2 GLN 86 2HE2 GLN 86 -0.075 12.203 -11.030 491 H ALA 87 H ALA 87 -5.154 13.093 -13.119 492 HA ALA 87 HA ALA 87 -4.156 14.952 -11.274 493 1HB ALA 87 1HB ALA 87 -3.779 15.877 -13.269 494 2HB ALA 87 2HB ALA 87 -5.101 14.987 -14.027 495 3HB ALA 87 3HB ALA 87 -5.429 16.490 -13.165 496 H PHE 88 H PHE 88 -7.469 14.509 -12.505 497 HA PHE 88 HA PHE 88 -8.617 16.545 -10.915 498 1HB PHE 88 2HB PHE 88 -9.804 15.809 -12.859 499 2HB PHE 88 3HB PHE 88 -9.816 14.142 -12.294 500 HD1 PHE 88 HD1 PHE 88 -11.321 13.445 -10.506 501 HD2 PHE 88 HD2 PHE 88 -11.377 17.416 -12.036 502 HE1 PHE 88 HE1 PHE 88 -13.512 13.817 -9.449 503 HE2 PHE 88 HE2 PHE 88 -13.567 17.796 -10.980 504 HZ PHE 88 HZ PHE 88 -14.637 15.996 -9.684 505 H VAL 89 H VAL 89 -7.923 13.172 -10.347 506 HA VAL 89 HA VAL 89 -9.563 12.822 -8.064 507 HB VAL 89 HB VAL 89 -7.043 11.362 -8.870 508 1HG1 VAL 89 1HG1 VAL 89 -7.137 10.544 -6.786 509 2HG1 VAL 89 2HG1 VAL 89 -8.775 11.144 -6.523 510 3HG1 VAL 89 3HG1 VAL 89 -8.520 9.620 -7.373 511 1HG2 VAL 89 1HG2 VAL 89 -9.379 11.410 -10.218 512 2HG2 VAL 89 2HG2 VAL 89 -8.296 10.019 -10.181 513 3HG2 VAL 89 3HG2 VAL 89 -9.687 10.083 -9.099 514 H GLU 90 H GLU 90 -6.142 13.686 -8.456 515 HA GLU 90 HA GLU 90 -5.756 13.973 -5.612 516 1HB GLU 90 2HB GLU 90 -3.918 14.843 -7.845 517 2HB GLU 90 3HB GLU 90 -3.490 14.598 -6.158 518 1HG GLU 90 2HG GLU 90 -4.528 12.384 -7.897 519 2HG GLU 90 3HG GLU 90 -2.815 12.783 -7.779 520 H ALA 91 H ALA 91 -6.741 15.966 -8.232 521 HA ALA 91 HA ALA 91 -6.011 18.476 -7.056 522 1HB ALA 91 1HB ALA 91 -7.588 19.386 -8.828 523 2HB ALA 91 2HB ALA 91 -6.187 18.479 -9.401 524 3HB ALA 91 3HB ALA 91 -7.777 17.716 -9.364 525 H PHE 92 H PHE 92 -8.653 16.288 -6.740 526 HA PHE 92 HA PHE 92 -10.061 18.260 -5.067 527 1HB PHE 92 2HB PHE 92 -11.216 16.236 -6.982 528 2HB PHE 92 3HB PHE 92 -12.175 16.988 -5.711 529 HD1 PHE 92 HD1 PHE 92 -13.371 18.871 -6.238 530 HD2 PHE 92 HD2 PHE 92 -9.872 17.956 -8.481 531 HE1 PHE 92 HE1 PHE 92 -13.817 20.792 -7.710 532 HE2 PHE 92 HE2 PHE 92 -10.311 19.876 -9.956 533 HZ PHE 92 HZ PHE 92 -12.285 21.297 -9.571 534 H GLN 93 H GLN 93 -8.210 15.659 -4.898 535 HA GLN 93 HA GLN 93 -9.473 13.660 -3.512 536 1HB GLN 93 2HB GLN 93 -7.203 13.331 -4.056 537 2HB GLN 93 3HB GLN 93 -6.705 14.806 -3.240 538 1HG GLN 93 2HG GLN 93 -6.034 12.836 -1.991 539 2HG GLN 93 3HG GLN 93 -7.197 13.801 -1.084 540 1HE2 GLN 93 1HE2 GLN 93 -7.621 11.434 -3.683 541 2HE2 GLN 93 2HE2 GLN 93 -8.661 10.381 -2.791 542 HN2 GLY 94 H GLY 94 -8.515 16.829 -2.348 543 1HA GLY 94 2HA GLY 94 -9.958 16.248 0.158 544 2HA GLY 94 3HA GLY 94 -8.398 17.056 0.191 545 H TYR 95 H TYR 95 -11.529 17.380 -1.489 546 HA TYR 95 HA TYR 95 -11.504 20.232 -0.785 547 1HB TYR 95 2HB TYR 95 -10.777 20.118 -3.093 548 2HB TYR 95 3HB TYR 95 -12.129 19.070 -3.506 549 HD1 TYR 95 HD1 TYR 95 -14.441 19.992 -3.523 550 HD2 TYR 95 HD2 TYR 95 -11.032 22.483 -2.995 551 HE1 TYR 95 HE1 TYR 95 -15.802 21.962 -4.084 552 HE2 TYR 95 HE2 TYR 95 -12.384 24.461 -3.554 553 HH TYR 95 HH TYR 95 -15.062 24.969 -3.379 554 HA PRO 96 HA PRO 96 -15.588 19.339 0.632 555 1HB PRO 96 2HB PRO 96 -16.465 21.896 0.881 556 2HB PRO 96 3HB PRO 96 -15.330 21.155 2.015 557 1HG PRO 96 2HG PRO 96 -14.782 22.993 -0.283 558 2HG PRO 96 3HG PRO 96 -14.087 23.004 1.348 559 1HD PRO 96 2HD PRO 96 -12.780 21.967 -0.785 560 2HD PRO 96 3HD PRO 96 -12.590 21.322 0.858 561 H PHE 97 H PHE 97 -16.735 18.398 -1.005 562 HA PHE 97 HA PHE 97 -18.118 20.233 -2.841 563 1HB PHE 97 2HB PHE 97 -16.419 19.121 -4.153 564 2HB PHE 97 3HB PHE 97 -16.904 17.549 -3.525 565 HD1 PHE 97 HD1 PHE 97 -17.993 16.244 -5.050 566 HD2 PHE 97 HD2 PHE 97 -18.631 20.452 -5.122 567 HE1 PHE 97 HE1 PHE 97 -19.553 15.973 -6.934 568 HE2 PHE 97 HE2 PHE 97 -20.192 20.187 -7.005 569 HZ PHE 97 HZ PHE 97 -20.656 17.945 -7.913 570 H GLN 98 H GLN 98 -20.243 19.712 -3.351 571 HA GLN 98 HA GLN 98 -22.341 18.939 -2.933 572 1HB GLN 98 2HB GLN 98 -20.659 16.475 -2.887 573 2HB GLN 98 3HB GLN 98 -22.337 16.351 -2.376 574 1HG GLN 98 2HG GLN 98 -23.091 17.189 -4.509 575 2HG GLN 98 3HG GLN 98 -21.425 17.451 -5.025 576 1HE2 GLN 98 1HE2 GLN 98 -21.857 16.100 -6.825 577 2HE2 GLN 98 2HE2 GLN 98 -21.865 14.381 -6.659 578 HN2 GLY 99 H GLY 99 -20.616 19.911 -0.688 579 1HA GLY 99 2HA GLY 99 -22.029 20.233 1.420 580 2HA GLY 99 3HA GLY 99 -21.898 18.485 1.552 581 H ASN 100 H ASN 100 -19.462 17.757 1.281 582 HA ASN 100 HA ASN 100 -17.379 19.407 2.124 583 1HB ASN 100 2HB ASN 100 -19.170 18.661 4.246 584 2HB ASN 100 3HB ASN 100 -17.595 17.922 4.520 585 1HD2 ASN 100 1HD2 ASN 100 -15.763 19.594 3.866 586 2HD2 ASN 100 2HD2 ASN 100 -15.923 21.128 4.645 587 HA PRO 101 HA PRO 101 -16.058 14.813 2.785 588 1HB PRO 101 2HB PRO 101 -18.003 12.921 2.694 589 2HB PRO 101 3HB PRO 101 -17.528 13.739 4.187 590 1HG PRO 101 2HG PRO 101 -19.853 14.288 2.383 591 2HG PRO 101 3HG PRO 101 -19.799 14.240 4.155 592 1HD PRO 101 2HD PRO 101 -19.765 16.560 2.759 593 2HD PRO 101 3HD PRO 101 -18.926 16.367 4.312 594 H LEU 102 H LEU 102 -15.100 14.868 0.797 595 HA LEU 102 HA LEU 102 -16.638 13.705 -1.428 596 1HB LEU 102 2HB LEU 102 -16.429 15.990 -1.979 597 2HB LEU 102 3HB LEU 102 -14.747 16.040 -1.453 598 HG LEU 102 HG LEU 102 -14.212 14.520 -3.391 599 1HD1 LEU 102 1HD1 LEU 102 -16.115 14.973 -5.224 600 2HD1 LEU 102 2HD1 LEU 102 -17.117 14.861 -3.777 601 3HD1 LEU 102 3HD1 LEU 102 -16.058 13.523 -4.221 602 1HD2 LEU 102 1HD2 LEU 102 -13.502 16.482 -4.156 603 2HD2 LEU 102 2HD2 LEU 102 -14.822 17.340 -3.360 604 3HD2 LEU 102 3HD2 LEU 102 -15.058 16.654 -4.969 605 H VAL 103 H VAL 103 -15.769 11.912 -2.223 606 HA VAL 103 HA VAL 103 -12.890 11.437 -1.795 607 HB VAL 103 HB VAL 103 -14.372 9.971 -0.416 608 1HG1 VAL 103 1HG1 VAL 103 -16.025 8.720 -1.272 609 2HG1 VAL 103 2HG1 VAL 103 -15.924 9.815 -2.652 610 3HG1 VAL 103 3HG1 VAL 103 -15.079 8.267 -2.690 611 1HG2 VAL 103 1HG2 VAL 103 -12.935 8.303 -2.450 612 2HG2 VAL 103 2HG2 VAL 103 -12.051 9.370 -1.359 613 3HG2 VAL 103 3HG2 VAL 103 -13.050 8.072 -0.705 614 H ILE 104 H ILE 104 -11.693 10.810 -3.508 615 HA ILE 104 HA ILE 104 -13.065 10.030 -5.980 616 HB ILE 104 HB ILE 104 -11.108 11.473 -7.078 617 1HG1 ILE 104 2HG1 ILE 104 -10.550 12.175 -4.604 618 2HG1 ILE 104 3HG1 ILE 104 -10.459 13.356 -5.906 619 1HG2 ILE 104 1HG2 ILE 104 -13.279 11.816 -7.827 620 2HG2 ILE 104 2HG2 ILE 104 -13.862 12.281 -6.229 621 3HG2 ILE 104 3HG2 ILE 104 -12.840 13.384 -7.150 622 1HD1 ILE 104 1HD1 ILE 104 -11.674 13.899 -3.650 623 2HD1 ILE 104 2HD1 ILE 104 -12.303 14.489 -5.189 624 3HD1 ILE 104 3HD1 ILE 104 -13.019 13.068 -4.430 625 H THR 105 H THR 105 -12.212 8.245 -6.803 626 HA THR 105 HA THR 105 -9.344 7.751 -6.570 627 HB THR 105 HB THR 105 -9.623 5.480 -5.755 628 HG1 THR 105 HG1 THR 105 -11.723 5.074 -6.579 629 1HG2 THR 105 1HG2 THR 105 -9.321 7.202 -4.069 630 2HG2 THR 105 2HG2 THR 105 -10.417 5.960 -3.464 631 3HG2 THR 105 3HG2 THR 105 -11.058 7.503 -4.030 632 H PHE 106 H PHE 106 -8.785 5.654 -7.802 633 HA PHE 106 HA PHE 106 -9.981 5.887 -10.425 634 1HB PHE 106 2HB PHE 106 -7.766 4.036 -9.529 635 2HB PHE 106 3HB PHE 106 -8.172 4.476 -11.184 636 HD1 PHE 106 HD1 PHE 106 -7.570 6.642 -12.081 637 HD2 PHE 106 HD2 PHE 106 -6.568 5.556 -8.089 638 HE1 PHE 106 HE1 PHE 106 -5.988 8.523 -11.969 639 HE2 PHE 106 HE2 PHE 106 -4.985 7.436 -7.971 640 HZ PHE 106 HZ PHE 106 -4.694 8.923 -9.912 641 H SER 107 H SER 107 -9.841 3.436 -11.521 642 HA SER 107 HA SER 107 -11.250 1.516 -9.869 643 1HB SER 107 2HB SER 107 -12.721 3.340 -11.443 644 2HB SER 107 3HB SER 107 -12.780 1.796 -12.293 645 HG SER 107 HG SER 107 -14.077 1.080 -10.814 646 H GLU 108 H GLU 108 -12.144 -0.241 -11.699 647 HA GLU 108 HA GLU 108 -9.671 -1.033 -13.067 648 1HB GLU 108 2HB GLU 108 -12.054 -2.609 -12.102 649 2HB GLU 108 3HB GLU 108 -10.834 -3.298 -13.164 650 1HG GLU 108 2HG GLU 108 -10.285 -2.125 -10.448 651 2HG GLU 108 3HG GLU 108 -10.481 -3.843 -10.789 652 H THR 109 H THR 109 -9.654 -1.649 -15.218 653 HA THR 109 HA THR 109 -12.122 -1.169 -16.748 654 HB THR 109 HB THR 109 -10.563 -0.244 -18.576 655 HG1 THR 109 HG1 THR 109 -8.535 -0.440 -17.902 656 1HG2 THR 109 1HG2 THR 109 -11.197 1.852 -17.979 657 2HG2 THR 109 2HG2 THR 109 -10.577 1.688 -16.336 658 3HG2 THR 109 3HG2 THR 109 -12.132 0.977 -16.767 659 HA PRO 110 HA PRO 110 -10.190 -5.270 -17.804 660 1HB PRO 110 2HB PRO 110 -12.506 -6.675 -17.633 661 2HB PRO 110 3HB PRO 110 -11.462 -6.372 -16.240 662 1HG PRO 110 2HG PRO 110 -13.960 -4.953 -17.080 663 2HG PRO 110 3HG PRO 110 -13.455 -5.463 -15.459 664 1HD PRO 110 2HD PRO 110 -13.200 -2.912 -16.328 665 2HD PRO 110 3HD PRO 110 -12.059 -3.650 -15.186 666 H GLN 111 H GLN 111 -11.096 -6.866 -19.512 667 HA GLN 111 HA GLN 111 -12.974 -6.006 -21.421 668 1HB GLN 111 2HB GLN 111 -10.761 -4.469 -21.623 669 2HB GLN 111 3HB GLN 111 -10.307 -5.796 -22.684 670 1HG GLN 111 2HG GLN 111 -11.484 -4.866 -24.302 671 2HG GLN 111 3HG GLN 111 -12.948 -5.115 -23.352 672 1HE2 GLN 111 1HE2 GLN 111 -10.426 -2.858 -24.196 673 2HE2 GLN 111 2HE2 GLN 111 -11.251 -1.435 -23.668 674 H SER 112 H SER 112 -9.745 -7.524 -21.533 675 HA SER 112 HA SER 112 -10.876 -9.772 -23.005 676 1HB SER 112 2HB SER 112 -8.778 -10.151 -23.810 677 2HB SER 112 3HB SER 112 -8.525 -8.476 -23.320 678 HG SER 112 HG SER 112 -7.400 -10.742 -22.350 679 H GLN 113 H GLN 113 -9.463 -9.017 -19.888 680 HA GLN 113 HA GLN 113 -8.985 -11.585 -18.927 681 1HB GLN 113 2HB GLN 113 -9.079 -10.626 -16.709 682 2HB GLN 113 3HB GLN 113 -8.282 -9.495 -17.794 683 1HG GLN 113 2HG GLN 113 -10.228 -8.122 -17.910 684 2HG GLN 113 3HG GLN 113 -11.184 -9.316 -17.034 685 1HE2 GLN 113 1HE2 GLN 113 -10.924 -9.531 -14.819 686 2HE2 GLN 113 2HE2 GLN 113 -10.110 -8.344 -13.865 687 H VAL 114 H VAL 114 -11.966 -9.877 -19.391 688 HA VAL 114 HA VAL 114 -13.684 -11.146 -17.642 689 HB VAL 114 HB VAL 114 -15.487 -10.671 -19.207 690 1HG1 VAL 114 1HG1 VAL 114 -13.357 -8.565 -18.952 691 2HG1 VAL 114 2HG1 VAL 114 -14.948 -8.228 -19.636 692 3HG1 VAL 114 3HG1 VAL 114 -14.803 -8.786 -17.968 693 1HG2 VAL 114 1HG2 VAL 114 -14.772 -9.561 -21.422 694 2HG2 VAL 114 2HG2 VAL 114 -13.234 -10.386 -21.164 695 3HG2 VAL 114 3HG2 VAL 114 -14.722 -11.320 -21.309 696 H ALA 115 H ALA 115 -14.912 -13.012 -17.685 697 HA ALA 115 HA ALA 115 -13.764 -15.330 -18.691 698 1HB ALA 115 1HB ALA 115 -15.328 -15.381 -16.852 699 2HB ALA 115 2HB ALA 115 -16.634 -14.838 -17.907 700 3HB ALA 115 3HB ALA 115 -15.907 -16.427 -18.149 701 H GLU 116 H GLU 116 -16.000 -13.110 -20.181 702 HA GLU 116 HA GLU 116 -17.109 -14.655 -22.185 703 1HB GLU 116 2HB GLU 116 -17.109 -11.983 -21.547 704 2HB GLU 116 3HB GLU 116 -16.266 -11.995 -23.090 705 1HG GLU 116 2HG GLU 116 -18.379 -11.798 -23.860 706 2HG GLU 116 3HG GLU 116 -18.304 -13.556 -23.757 707 H ASP 117 H ASP 117 -13.882 -13.333 -21.936 708 HA ASP 117 HA ASP 117 -13.047 -14.990 -24.177 709 1HB ASP 117 2HB ASP 117 -13.620 -12.409 -24.748 710 2HB ASP 117 3HB ASP 117 -11.934 -12.249 -24.264 Start of MODEL 3 1 H THR 22 H THR 22 2.400 3.470 -1.324 2 HA THR 22 HA THR 22 2.027 4.336 -4.104 3 HB THR 22 HB THR 22 4.142 2.715 -4.307 4 HG1 THR 22 HG1 THR 22 4.833 2.174 -2.387 5 1HG2 THR 22 1HG2 THR 22 3.912 5.203 -4.797 6 2HG2 THR 22 2HG2 THR 22 5.514 4.640 -4.321 7 3HG2 THR 22 3HG2 THR 22 4.489 5.474 -3.154 8 HA PRO 23 HA PRO 23 -0.149 0.228 -3.864 9 1HB PRO 23 2HB PRO 23 -2.326 1.027 -5.276 10 2HB PRO 23 3HB PRO 23 -2.190 1.227 -3.525 11 1HG PRO 23 2HG PRO 23 -1.719 3.227 -5.702 12 2HG PRO 23 3HG PRO 23 -2.565 3.433 -4.157 13 1HD PRO 23 2HD PRO 23 -0.019 4.267 -4.546 14 2HD PRO 23 3HD PRO 23 -0.604 3.688 -2.973 15 HA PRO 24 HA PRO 24 1.713 -0.377 -7.934 16 1HB PRO 24 2HB PRO 24 1.910 -3.074 -7.688 17 2HB PRO 24 3HB PRO 24 3.066 -1.955 -6.955 18 1HG PRO 24 2HG PRO 24 0.740 -3.365 -5.704 19 2HG PRO 24 3HG PRO 24 2.376 -3.122 -5.065 20 1HD PRO 24 2HD PRO 24 0.272 -1.601 -4.297 21 2HD PRO 24 3HD PRO 24 1.927 -0.965 -4.387 22 H HIS 25 H HIS 25 0.381 -0.241 -9.625 23 HA HIS 25 HA HIS 25 -2.012 -1.947 -9.696 24 1HB HIS 25 2HB HIS 25 -2.793 -0.360 -11.475 25 2HB HIS 25 3HB HIS 25 -2.565 0.382 -9.894 26 HD1 HIS 25 HD1 HIS 25 -1.182 0.346 -13.364 27 HD2 HIS 25 HD2 HIS 25 -0.508 2.277 -9.748 28 HE1 HIS 25 HE1 HIS 25 0.364 2.256 -13.900 29 H THR 26 H THR 26 -2.109 -3.589 -11.076 30 HA THR 26 HA THR 26 0.091 -4.135 -12.839 31 HB THR 26 HB THR 26 -2.144 -5.863 -13.349 32 HG1 THR 26 HG1 THR 26 -2.470 -6.608 -11.215 33 1HG2 THR 26 1HG2 THR 26 0.568 -6.138 -12.083 34 2HG2 THR 26 2HG2 THR 26 0.024 -6.704 -13.662 35 3HG2 THR 26 3HG2 THR 26 -0.541 -7.503 -12.196 36 H GLU 27 H GLU 27 -3.165 -2.908 -13.165 37 HA GLU 27 HA GLU 27 -2.668 -2.521 -16.039 38 1HB GLU 27 2HB GLU 27 -5.231 -2.757 -16.258 39 2HB GLU 27 3HB GLU 27 -4.265 -4.218 -16.101 40 1HG GLU 27 2HG GLU 27 -5.364 -2.976 -13.636 41 2HG GLU 27 3HG GLU 27 -6.457 -3.860 -14.699 42 HA PRO 28 HA PRO 28 -3.713 1.698 -15.452 43 1HB PRO 28 2HB PRO 28 -4.973 2.291 -17.782 44 2HB PRO 28 3HB PRO 28 -3.230 2.016 -17.675 45 1HG PRO 28 2HG PRO 28 -5.394 0.140 -18.548 46 2HG PRO 28 3HG PRO 28 -3.796 0.417 -19.266 47 1HD PRO 28 2HD PRO 28 -4.325 -1.699 -17.662 48 2HD PRO 28 3HD PRO 28 -2.730 -0.920 -17.721 49 H SER 29 H SER 29 -5.625 3.286 -15.730 50 HA SER 29 HA SER 29 -8.254 2.110 -15.504 51 1HB SER 29 2HB SER 29 -7.205 3.682 -13.147 52 2HB SER 29 3HB SER 29 -8.733 2.810 -13.269 53 HG SER 29 HG SER 29 -6.458 1.896 -12.348 54 H GLN 30 H GLN 30 -9.150 3.383 -17.017 55 HA GLN 30 HA GLN 30 -8.631 6.256 -16.987 56 1HB GLN 30 2HB GLN 30 -10.357 4.775 -18.961 57 2HB GLN 30 3HB GLN 30 -9.566 6.333 -19.163 58 1HG GLN 30 2HG GLN 30 -7.377 5.166 -19.075 59 2HG GLN 30 3HG GLN 30 -8.246 3.633 -19.043 60 1HE2 GLN 30 1HE2 GLN 30 -9.827 3.337 -20.859 61 2HE2 GLN 30 2HE2 GLN 30 -9.330 3.864 -22.427 62 H VAL 31 H VAL 31 -10.369 4.689 -15.036 63 HA VAL 31 HA VAL 31 -12.659 6.515 -15.181 64 HB VAL 31 HB VAL 31 -14.236 4.791 -14.579 65 1HG1 VAL 31 1HG1 VAL 31 -13.100 5.077 -17.049 66 2HG1 VAL 31 2HG1 VAL 31 -12.990 3.336 -16.788 67 3HG1 VAL 31 3HG1 VAL 31 -14.555 4.144 -16.700 68 1HG2 VAL 31 1HG2 VAL 31 -13.082 3.268 -13.255 69 2HG2 VAL 31 2HG2 VAL 31 -13.385 2.357 -14.734 70 3HG2 VAL 31 3HG2 VAL 31 -11.794 3.060 -14.442 71 H VAL 32 H VAL 32 -13.507 7.143 -13.200 72 HA VAL 32 HA VAL 32 -12.012 6.240 -10.825 73 HB VAL 32 HB VAL 32 -12.040 8.448 -9.913 74 1HG1 VAL 32 1HG1 VAL 32 -10.700 9.686 -11.554 75 2HG1 VAL 32 2HG1 VAL 32 -10.226 7.988 -11.467 76 3HG1 VAL 32 3HG1 VAL 32 -11.213 8.561 -12.812 77 1HG2 VAL 32 1HG2 VAL 32 -14.101 8.883 -11.939 78 2HG2 VAL 32 2HG2 VAL 32 -13.859 9.671 -10.381 79 3HG2 VAL 32 3HG2 VAL 32 -12.952 10.212 -11.793 80 H LEU 33 H LEU 33 -13.159 5.870 -8.973 81 HA LEU 33 HA LEU 33 -16.087 5.999 -9.229 82 1HB LEU 33 2HB LEU 33 -15.648 3.782 -8.879 83 2HB LEU 33 3HB LEU 33 -14.214 4.108 -7.908 84 HG LEU 33 HG LEU 33 -15.605 4.672 -5.998 85 1HD1 LEU 33 1HD1 LEU 33 -17.722 5.287 -6.208 86 2HD1 LEU 33 2HD1 LEU 33 -18.140 3.723 -6.905 87 3HD1 LEU 33 3HD1 LEU 33 -17.603 5.037 -7.950 88 1HD2 LEU 33 1HD2 LEU 33 -15.120 2.446 -5.848 89 2HD2 LEU 33 2HD2 LEU 33 -15.914 2.054 -7.374 90 3HD2 LEU 33 3HD2 LEU 33 -16.880 2.361 -5.930 91 H ILE 34 H ILE 34 -17.083 7.510 -8.088 92 HA ILE 34 HA ILE 34 -15.744 8.598 -5.706 93 HB ILE 34 HB ILE 34 -17.184 10.573 -5.979 94 1HG1 ILE 34 2HG1 ILE 34 -18.821 8.962 -7.434 95 2HG1 ILE 34 3HG1 ILE 34 -18.885 10.721 -7.467 96 1HG2 ILE 34 1HG2 ILE 34 -16.152 11.399 -8.108 97 2HG2 ILE 34 2HG2 ILE 34 -15.017 10.693 -6.959 98 3HG2 ILE 34 3HG2 ILE 34 -15.537 9.767 -8.367 99 1HD1 ILE 34 1HD1 ILE 34 -17.250 9.084 -9.383 100 2HD1 ILE 34 2HD1 ILE 34 -18.903 9.613 -9.700 101 3HD1 ILE 34 3HD1 ILE 34 -17.623 10.805 -9.475 102 H THR 35 H THR 35 -16.901 8.920 -3.792 103 HA THR 35 HA THR 35 -19.610 7.841 -3.625 104 HB THR 35 HB THR 35 -19.128 6.367 -1.787 105 HG1 THR 35 HG1 THR 35 -16.356 6.875 -2.059 106 1HG2 THR 35 1HG2 THR 35 -17.023 5.825 -3.877 107 2HG2 THR 35 2HG2 THR 35 -18.746 5.559 -4.145 108 3HG2 THR 35 3HG2 THR 35 -17.898 4.652 -2.893 109 H ASN 36 H ASN 36 -20.112 7.914 -1.014 110 HA ASN 36 HA ASN 36 -20.576 9.261 0.759 111 1HB ASN 36 2HB ASN 36 -17.922 9.432 0.571 112 2HB ASN 36 3HB ASN 36 -18.308 11.104 0.175 113 1HD2 ASN 36 1HD2 ASN 36 -17.125 9.588 2.565 114 2HD2 ASN 36 2HD2 ASN 36 -17.961 10.266 3.917 115 H ILE 37 H ILE 37 -21.487 9.860 -2.004 116 HA ILE 37 HA ILE 37 -21.807 12.767 -1.918 117 HB ILE 37 HB ILE 37 -22.890 12.471 -4.153 118 1HG1 ILE 37 2HG1 ILE 37 -21.870 9.633 -3.938 119 2HG1 ILE 37 3HG1 ILE 37 -23.560 10.086 -3.751 120 1HG2 ILE 37 1HG2 ILE 37 -20.483 13.012 -3.836 121 2HG2 ILE 37 2HG2 ILE 37 -20.123 11.293 -3.986 122 3HG2 ILE 37 3HG2 ILE 37 -20.832 12.166 -5.344 123 1HD1 ILE 37 1HD1 ILE 37 -22.988 11.229 -6.131 124 2HD1 ILE 37 2HD1 ILE 37 -21.933 9.816 -6.169 125 3HD1 ILE 37 3HD1 ILE 37 -23.668 9.615 -5.933 126 H ASN 38 H ASN 38 -23.746 13.778 -1.637 127 HA ASN 38 HA ASN 38 -25.843 12.231 -0.397 128 1HB ASN 38 2HB ASN 38 -24.951 14.926 -0.294 129 2HB ASN 38 3HB ASN 38 -26.626 14.949 -0.836 130 1HD2 ASN 38 1HD2 ASN 38 -24.460 13.894 1.706 131 2HD2 ASN 38 2HD2 ASN 38 -25.664 13.767 2.939 132 HA PRO 39 HA PRO 39 -28.064 11.661 -4.207 133 1HB PRO 39 2HB PRO 39 -30.243 10.480 -3.098 134 2HB PRO 39 3HB PRO 39 -28.710 9.633 -3.341 135 1HG PRO 39 2HG PRO 39 -29.804 10.895 -0.856 136 2HG PRO 39 3HG PRO 39 -28.978 9.337 -1.050 137 1HD PRO 39 2HD PRO 39 -27.719 11.549 -0.124 138 2HD PRO 39 3HD PRO 39 -26.887 10.308 -1.084 139 H GLU 40 H GLU 40 -28.819 13.719 -1.642 140 HA GLU 40 HA GLU 40 -31.419 14.527 -2.067 141 1HB GLU 40 2HB GLU 40 -29.053 15.632 -0.815 142 2HB GLU 40 3HB GLU 40 -30.009 16.895 -1.579 143 1HG GLU 40 2HG GLU 40 -32.003 15.967 -0.356 144 2HG GLU 40 3HG GLU 40 -30.874 14.962 0.550 145 H VAL 41 H VAL 41 -28.597 15.128 -4.010 146 HA VAL 41 HA VAL 41 -30.011 17.076 -5.664 147 HB VAL 41 HB VAL 41 -27.702 17.603 -5.117 148 1HG1 VAL 41 1HG1 VAL 41 -27.026 15.016 -6.511 149 2HG1 VAL 41 2HG1 VAL 41 -25.854 16.221 -5.974 150 3HG1 VAL 41 3HG1 VAL 41 -26.841 15.360 -4.792 151 1HG2 VAL 41 1HG2 VAL 41 -28.475 18.430 -7.225 152 2HG2 VAL 41 2HG2 VAL 41 -26.814 17.874 -7.437 153 3HG2 VAL 41 3HG2 VAL 41 -28.156 16.882 -8.008 154 HA PRO 42 HA PRO 42 -31.259 13.976 -8.560 155 1HB PRO 42 2HB PRO 42 -31.946 15.645 -10.588 156 2HB PRO 42 3HB PRO 42 -32.940 15.429 -9.143 157 1HG PRO 42 2HG PRO 42 -31.002 17.614 -9.799 158 2HG PRO 42 3HG PRO 42 -32.615 17.731 -9.070 159 1HD PRO 42 2HD PRO 42 -30.341 17.854 -7.604 160 2HD PRO 42 3HD PRO 42 -31.847 17.156 -6.975 161 H LYS 43 H LYS 43 -30.316 12.831 -10.172 162 HA LYS 43 HA LYS 43 -27.676 13.103 -10.844 163 1HB LYS 43 2HB LYS 43 -28.714 11.039 -11.325 164 2HB LYS 43 3HB LYS 43 -29.958 11.799 -12.309 165 1HG LYS 43 2HG LYS 43 -28.610 11.961 -14.142 166 2HG LYS 43 3HG LYS 43 -27.131 12.052 -13.184 167 1HD LYS 43 2HD LYS 43 -26.885 9.927 -13.935 168 2HD LYS 43 3HD LYS 43 -27.909 9.572 -12.542 169 1HE LYS 43 2HE LYS 43 -28.737 8.415 -14.503 170 2HE LYS 43 3HE LYS 43 -29.887 9.653 -14.000 171 1HZ LYS 43 1HZ LYS 43 -28.037 10.719 -15.859 172 2HZ LYS 43 2HZ LYS 43 -29.722 10.621 -15.971 173 3HZ LYS 43 3HZ LYS 43 -28.764 9.333 -16.503 174 H GLU 44 H GLU 44 -30.452 14.614 -12.358 175 HA GLU 44 HA GLU 44 -29.409 15.476 -14.754 176 1HB GLU 44 2HB GLU 44 -31.714 15.960 -13.334 177 2HB GLU 44 3HB GLU 44 -30.958 17.547 -13.376 178 1HG GLU 44 2HG GLU 44 -30.792 17.369 -15.829 179 2HG GLU 44 3HG GLU 44 -31.639 15.825 -15.749 180 H LYS 45 H LYS 45 -29.329 17.273 -11.674 181 HA LYS 45 HA LYS 45 -27.421 19.163 -12.754 182 1HB LYS 45 2HB LYS 45 -28.797 18.865 -10.093 183 2HB LYS 45 3HB LYS 45 -27.500 20.028 -10.330 184 1HG LYS 45 2HG LYS 45 -29.098 21.446 -10.944 185 2HG LYS 45 3HG LYS 45 -29.162 20.535 -12.455 186 1HD LYS 45 2HD LYS 45 -31.385 20.594 -11.742 187 2HD LYS 45 3HD LYS 45 -30.820 19.004 -11.224 188 1HE LYS 45 2HE LYS 45 -31.892 19.746 -9.327 189 2HE LYS 45 3HE LYS 45 -30.233 20.252 -9.009 190 1HZ LYS 45 1HZ LYS 45 -32.490 21.845 -9.051 191 2HZ LYS 45 2HZ LYS 45 -31.618 22.263 -10.438 192 3HZ LYS 45 3HZ LYS 45 -30.882 22.354 -8.918 193 H LEU 46 H LEU 46 -27.460 16.580 -10.333 194 HA LEU 46 HA LEU 46 -24.926 16.866 -9.270 195 1HB LEU 46 2HB LEU 46 -25.881 15.197 -8.137 196 2HB LEU 46 3HB LEU 46 -26.898 14.739 -9.501 197 HG LEU 46 HG LEU 46 -24.975 13.473 -10.439 198 1HD1 LEU 46 1HD1 LEU 46 -22.981 14.132 -9.644 199 2HD1 LEU 46 2HD1 LEU 46 -23.317 12.968 -8.364 200 3HD1 LEU 46 3HD1 LEU 46 -23.653 14.680 -8.109 201 1HD2 LEU 46 1HD2 LEU 46 -26.269 12.838 -7.838 202 2HD2 LEU 46 2HD2 LEU 46 -24.981 11.779 -8.414 203 3HD2 LEU 46 3HD2 LEU 46 -26.420 12.038 -9.402 204 H GLN 47 H GLN 47 -25.883 14.983 -12.134 205 HA GLN 47 HA GLN 47 -23.297 14.082 -12.784 206 1HB GLN 47 2HB GLN 47 -25.355 13.075 -13.688 207 2HB GLN 47 3HB GLN 47 -25.658 14.537 -14.617 208 1HG GLN 47 2HG GLN 47 -23.199 13.979 -15.494 209 2HG GLN 47 3HG GLN 47 -23.735 12.349 -15.090 210 1HE2 GLN 47 1HE2 GLN 47 -24.015 11.521 -17.080 211 2HE2 GLN 47 2HE2 GLN 47 -25.129 12.135 -18.248 212 H ALA 48 H ALA 48 -25.181 16.838 -14.007 213 HA ALA 48 HA ALA 48 -23.335 17.805 -15.850 214 1HB ALA 48 1HB ALA 48 -24.498 19.922 -15.701 215 2HB ALA 48 2HB ALA 48 -25.660 18.595 -15.661 216 3HB ALA 48 3HB ALA 48 -25.234 19.440 -14.172 217 H LEU 49 H LEU 49 -23.472 18.177 -12.368 218 HA LEU 49 HA LEU 49 -21.520 20.248 -12.206 219 1HB LEU 49 2HB LEU 49 -23.208 18.813 -10.425 220 2HB LEU 49 3HB LEU 49 -21.556 18.711 -9.818 221 HG LEU 49 HG LEU 49 -22.598 20.566 -8.759 222 1HD1 LEU 49 1HD1 LEU 49 -21.172 22.163 -10.756 223 2HD1 LEU 49 2HD1 LEU 49 -20.271 20.771 -10.155 224 3HD1 LEU 49 3HD1 LEU 49 -20.882 21.980 -9.026 225 1HD2 LEU 49 1HD2 LEU 49 -24.280 21.649 -9.714 226 2HD2 LEU 49 2HD2 LEU 49 -23.967 20.822 -11.240 227 3HD2 LEU 49 3HD2 LEU 49 -23.162 22.351 -10.883 228 H LEU 50 H LEU 50 -21.397 16.737 -11.637 229 HA LEU 50 HA LEU 50 -18.715 16.519 -10.966 230 1HB LEU 50 2HB LEU 50 -20.500 14.604 -12.453 231 2HB LEU 50 3HB LEU 50 -18.893 14.187 -11.863 232 HG LEU 50 HG LEU 50 -21.245 14.986 -10.149 233 1HD1 LEU 50 1HD1 LEU 50 -19.927 12.292 -10.374 234 2HD1 LEU 50 2HD1 LEU 50 -21.370 12.742 -11.281 235 3HD1 LEU 50 3HD1 LEU 50 -21.412 12.709 -9.518 236 1HD2 LEU 50 1HD2 LEU 50 -18.425 14.172 -9.477 237 2HD2 LEU 50 2HD2 LEU 50 -19.746 14.168 -8.309 238 3HD2 LEU 50 3HD2 LEU 50 -19.244 15.680 -9.067 239 H TYR 51 H TYR 51 -20.208 16.995 -14.072 240 HA TYR 51 HA TYR 51 -17.934 16.265 -15.638 241 1HB TYR 51 2HB TYR 51 -20.357 16.355 -16.418 242 2HB TYR 51 3HB TYR 51 -20.167 18.103 -16.498 243 HD1 TYR 51 HD1 TYR 51 -19.998 15.151 -18.350 244 HD2 TYR 51 HD2 TYR 51 -18.001 18.876 -17.859 245 HE1 TYR 51 HE1 TYR 51 -19.055 14.937 -20.612 246 HE2 TYR 51 HE2 TYR 51 -17.053 18.672 -20.119 247 HH TYR 51 HH TYR 51 -18.128 16.930 -22.415 248 H ALA 52 H ALA 52 -19.323 19.373 -14.613 249 HA ALA 52 HA ALA 52 -17.588 21.112 -15.860 250 1HB ALA 52 1HB ALA 52 -19.258 22.250 -14.818 251 2HB ALA 52 2HB ALA 52 -19.209 21.230 -13.379 252 3HB ALA 52 3HB ALA 52 -17.985 22.478 -13.618 253 H LEU 53 H LEU 53 -17.215 19.733 -12.591 254 HA LEU 53 HA LEU 53 -14.676 20.841 -12.100 255 1HB LEU 53 2HB LEU 53 -15.758 18.272 -10.962 256 2HB LEU 53 3HB LEU 53 -14.529 19.319 -10.256 257 HG LEU 53 HG LEU 53 -17.425 20.081 -10.623 258 1HD1 LEU 53 1HD1 LEU 53 -17.544 18.457 -8.987 259 2HD1 LEU 53 2HD1 LEU 53 -17.294 19.920 -8.036 260 3HD1 LEU 53 3HD1 LEU 53 -15.943 18.831 -8.349 261 1HD2 LEU 53 1HD2 LEU 53 -15.003 21.496 -9.732 262 2HD2 LEU 53 2HD2 LEU 53 -16.424 21.699 -8.706 263 3HD2 LEU 53 3HD2 LEU 53 -16.503 22.124 -10.417 264 H ALA 54 H ALA 54 -15.678 17.771 -13.525 265 HA ALA 54 HA ALA 54 -13.171 16.529 -13.640 266 1HB ALA 54 1HB ALA 54 -14.149 15.150 -15.437 267 2HB ALA 54 2HB ALA 54 -15.210 15.295 -14.035 268 3HB ALA 54 3HB ALA 54 -15.535 16.239 -15.489 269 H SER 55 H SER 55 -14.867 18.394 -16.165 270 HA SER 55 HA SER 55 -12.851 18.318 -18.084 271 1HB SER 55 2HB SER 55 -15.256 19.155 -18.337 272 2HB SER 55 3HB SER 55 -14.677 20.688 -17.685 273 HG SER 55 HG SER 55 -13.271 20.860 -19.426 274 H SER 56 H SER 56 -13.199 20.300 -15.240 275 HA SER 56 HA SER 56 -11.437 22.377 -15.856 276 1HB SER 56 2HB SER 56 -12.995 21.874 -13.743 277 2HB SER 56 3HB SER 56 -11.460 21.329 -13.067 278 HG SER 56 HG SER 56 -12.345 23.846 -13.491 279 H GLN 57 H GLN 57 -10.833 19.065 -15.151 280 HA GLN 57 HA GLN 57 -7.952 19.619 -14.892 281 1HB GLN 57 2HB GLN 57 -9.562 17.245 -13.944 282 2HB GLN 57 3HB GLN 57 -7.808 17.340 -13.876 283 1HG GLN 57 2HG GLN 57 -9.358 19.532 -12.619 284 2HG GLN 57 3HG GLN 57 -9.338 17.964 -11.814 285 1HE2 GLN 57 1HE2 GLN 57 -8.032 20.782 -11.502 286 2HE2 GLN 57 2HE2 GLN 57 -6.407 20.391 -11.064 287 HN2 GLY 58 H GLY 58 -9.795 16.725 -15.837 288 1HA GLY 58 2HA GLY 58 -8.206 16.672 -18.330 289 2HA GLY 58 3HA GLY 58 -8.616 15.223 -17.423 290 H ASP 59 H ASP 59 -9.247 15.115 -19.976 291 HA ASP 59 HA ASP 59 -11.866 16.147 -20.545 292 1HB ASP 59 2HB ASP 59 -10.105 14.160 -21.988 293 2HB ASP 59 3HB ASP 59 -11.677 14.684 -22.588 294 H ILE 60 H ILE 60 -13.794 14.999 -20.716 295 HA ILE 60 HA ILE 60 -13.843 12.474 -19.204 296 HB ILE 60 HB ILE 60 -16.098 14.432 -19.654 297 1HG1 ILE 60 2HG1 ILE 60 -15.648 14.386 -16.969 298 2HG1 ILE 60 3HG1 ILE 60 -14.010 14.190 -17.581 299 1HG2 ILE 60 1HG2 ILE 60 -17.460 12.814 -18.989 300 2HG2 ILE 60 2HG2 ILE 60 -16.097 11.702 -18.866 301 3HG2 ILE 60 3HG2 ILE 60 -16.563 12.682 -17.476 302 1HD1 ILE 60 1HD1 ILE 60 -13.933 16.391 -17.785 303 2HD1 ILE 60 2HD1 ILE 60 -15.094 16.243 -19.104 304 3HD1 ILE 60 3HD1 ILE 60 -15.660 16.543 -17.461 305 H LEU 61 H LEU 61 -14.615 10.662 -20.118 306 HA LEU 61 HA LEU 61 -15.486 10.827 -22.909 307 1HB LEU 61 2HB LEU 61 -14.883 8.276 -21.470 308 2HB LEU 61 3HB LEU 61 -14.765 8.636 -23.191 309 HG LEU 61 HG LEU 61 -12.871 9.506 -21.011 310 1HD1 LEU 61 1HD1 LEU 61 -11.336 8.033 -21.924 311 2HD1 LEU 61 2HD1 LEU 61 -12.194 7.928 -23.461 312 3HD1 LEU 61 3HD1 LEU 61 -12.848 7.130 -22.030 313 1HD2 LEU 61 1HD2 LEU 61 -13.279 10.487 -23.779 314 2HD2 LEU 61 2HD2 LEU 61 -11.618 10.257 -23.233 315 3HD2 LEU 61 3HD2 LEU 61 -12.696 11.336 -22.347 316 H ASP 62 H ASP 62 -16.592 9.997 -19.737 317 HA ASP 62 HA ASP 62 -19.297 10.047 -20.417 318 1HB ASP 62 2HB ASP 62 -18.140 7.642 -21.209 319 2HB ASP 62 3HB ASP 62 -18.927 7.257 -19.681 320 H ILE 63 H ILE 63 -20.301 10.594 -18.602 321 HA ILE 63 HA ILE 63 -19.050 9.873 -16.042 322 HB ILE 63 HB ILE 63 -21.068 12.047 -16.609 323 1HG1 ILE 63 2HG1 ILE 63 -18.081 12.192 -16.152 324 2HG1 ILE 63 3HG1 ILE 63 -18.919 12.534 -17.662 325 1HG2 ILE 63 1HG2 ILE 63 -19.439 11.517 -14.128 326 2HG2 ILE 63 2HG2 ILE 63 -20.612 12.812 -14.361 327 3HG2 ILE 63 3HG2 ILE 63 -21.149 11.133 -14.319 328 1HD1 ILE 63 1HD1 ILE 63 -18.969 14.117 -15.115 329 2HD1 ILE 63 2HD1 ILE 63 -18.397 14.616 -16.707 330 3HD1 ILE 63 3HD1 ILE 63 -20.121 14.374 -16.426 331 H VAL 64 H VAL 64 -19.932 8.158 -15.100 332 HA VAL 64 HA VAL 64 -22.776 7.584 -15.503 333 HB VAL 64 HB VAL 64 -20.651 5.863 -14.216 334 1HG1 VAL 64 1HG1 VAL 64 -23.561 5.525 -14.717 335 2HG1 VAL 64 2HG1 VAL 64 -22.515 4.117 -14.906 336 3HG1 VAL 64 3HG1 VAL 64 -22.574 4.973 -13.365 337 1HG2 VAL 64 1HG2 VAL 64 -20.021 5.996 -16.458 338 2HG2 VAL 64 2HG2 VAL 64 -21.005 4.534 -16.390 339 3HG2 VAL 64 3HG2 VAL 64 -21.691 6.029 -17.025 340 H VAL 65 H VAL 65 -24.213 7.304 -13.800 341 HA VAL 65 HA VAL 65 -23.285 7.911 -11.094 342 HB VAL 65 HB VAL 65 -25.624 9.378 -12.315 343 1HG1 VAL 65 1HG1 VAL 65 -24.436 10.561 -9.976 344 2HG1 VAL 65 2HG1 VAL 65 -26.102 10.049 -10.251 345 3HG1 VAL 65 3HG1 VAL 65 -24.909 8.892 -9.657 346 1HG2 VAL 65 1HG2 VAL 65 -22.760 10.211 -11.950 347 2HG2 VAL 65 2HG2 VAL 65 -23.746 10.279 -13.411 348 3HG2 VAL 65 3HG2 VAL 65 -24.072 11.383 -12.075 349 H ASP 66 H ASP 66 -24.317 6.766 -9.565 350 HA ASP 66 HA ASP 66 -26.020 4.642 -10.267 351 1HB ASP 66 2HB ASP 66 -24.544 5.322 -8.045 352 2HB ASP 66 3HB ASP 66 -26.200 5.488 -7.467 353 H LEU 67 H LEU 67 -27.996 4.634 -8.288 354 HA LEU 67 HA LEU 67 -29.916 6.467 -9.499 355 1HB LEU 67 2HB LEU 67 -31.562 5.082 -8.149 356 2HB LEU 67 3HB LEU 67 -30.723 4.276 -9.473 357 HG LEU 67 HG LEU 67 -31.037 3.027 -7.236 358 1HD1 LEU 67 1HD1 LEU 67 -28.261 2.647 -7.686 359 2HD1 LEU 67 2HD1 LEU 67 -29.028 2.990 -9.236 360 3HD1 LEU 67 3HD1 LEU 67 -29.614 1.659 -8.238 361 1HD2 LEU 67 1HD2 LEU 67 -30.216 4.919 -5.850 362 2HD2 LEU 67 2HD2 LEU 67 -28.610 4.676 -6.538 363 3HD2 LEU 67 3HD2 LEU 67 -29.355 3.406 -5.565 364 H SER 68 H SER 68 -27.827 7.145 -7.383 365 HA SER 68 HA SER 68 -27.643 8.398 -5.487 366 1HB SER 68 2HB SER 68 -30.383 9.503 -5.994 367 2HB SER 68 3HB SER 68 -28.921 10.340 -5.473 368 HG SER 68 HG SER 68 -29.175 10.877 -7.581 369 H ASP 69 H ASP 69 -28.092 6.089 -4.555 370 HA ASP 69 HA ASP 69 -30.578 5.750 -3.168 371 1HB ASP 69 2HB ASP 69 -28.283 4.152 -3.759 372 2HB ASP 69 3HB ASP 69 -28.568 4.100 -2.022 373 H ASP 70 H ASP 70 -31.018 6.010 -1.004 374 HA ASP 70 HA ASP 70 -29.570 8.050 0.356 375 1HB ASP 70 2HB ASP 70 -32.110 7.361 0.480 376 2HB ASP 70 3HB ASP 70 -31.545 6.304 1.771 377 H ASN 71 H ASN 71 -29.058 4.754 0.064 378 HA ASN 71 HA ASN 71 -27.532 4.675 2.584 379 1HB ASN 71 2HB ASN 71 -29.195 2.644 1.195 380 2HB ASN 71 3HB ASN 71 -27.716 2.067 1.958 381 1HD2 ASN 71 1HD2 ASN 71 -27.658 1.815 4.107 382 2HD2 ASN 71 2HD2 ASN 71 -28.952 2.215 5.179 383 H SER 72 H SER 72 -27.294 4.821 -0.749 384 HA SER 72 HA SER 72 -24.563 3.712 -0.685 385 1HB SER 72 2HB SER 72 -26.749 3.151 -2.464 386 2HB SER 72 3HB SER 72 -25.428 3.884 -3.373 387 HG SER 72 HG SER 72 -25.290 1.568 -3.172 388 HN2 GLY 73 H GLY 73 -26.358 5.799 -2.947 389 1HA GLY 73 2HA GLY 73 -25.766 7.783 -3.943 390 2HA GLY 73 3HA GLY 73 -25.205 8.232 -2.339 391 H LYS 74 H LYS 74 -24.282 6.941 -5.452 392 HA LYS 74 HA LYS 74 -21.588 7.919 -5.069 393 1HB LYS 74 2HB LYS 74 -20.530 5.763 -5.678 394 2HB LYS 74 3HB LYS 74 -21.353 5.703 -4.125 395 1HG LYS 74 2HG LYS 74 -23.078 4.379 -4.950 396 2HG LYS 74 3HG LYS 74 -22.720 4.793 -6.628 397 1HD LYS 74 2HD LYS 74 -20.805 3.424 -6.666 398 2HD LYS 74 3HD LYS 74 -20.772 3.282 -4.907 399 1HE LYS 74 2HE LYS 74 -22.915 2.155 -6.706 400 2HE LYS 74 3HE LYS 74 -21.582 1.232 -6.015 401 1HZ LYS 74 1HZ LYS 74 -22.464 2.046 -3.788 402 2HZ LYS 74 2HZ LYS 74 -23.363 0.856 -4.587 403 3HZ LYS 74 3HZ LYS 74 -23.875 2.468 -4.621 404 H ALA 75 H ALA 75 -20.256 7.301 -7.147 405 HA ALA 75 HA ALA 75 -21.748 6.919 -9.554 406 1HB ALA 75 1HB ALA 75 -22.469 9.140 -9.344 407 2HB ALA 75 2HB ALA 75 -20.884 9.694 -8.802 408 3HB ALA 75 3HB ALA 75 -21.122 9.209 -10.481 409 H TYR 76 H TYR 76 -20.218 7.694 -11.496 410 HA TYR 76 HA TYR 76 -17.412 7.226 -10.847 411 1HB TYR 76 2HB TYR 76 -18.603 5.610 -13.070 412 2HB TYR 76 3HB TYR 76 -17.139 5.315 -12.140 413 HD1 TYR 76 HD1 TYR 76 -17.206 4.097 -10.077 414 HD2 TYR 76 HD2 TYR 76 -20.813 5.060 -12.118 415 HE1 TYR 76 HE1 TYR 76 -18.435 2.531 -8.632 416 HE2 TYR 76 HE2 TYR 76 -22.052 3.498 -10.678 417 HH TYR 76 HH TYR 76 -21.543 1.462 -9.306 418 H ILE 77 H ILE 77 -16.142 8.527 -11.991 419 HA ILE 77 HA ILE 77 -17.271 9.816 -14.385 420 HB ILE 77 HB ILE 77 -14.957 10.821 -12.732 421 1HG1 ILE 77 2HG1 ILE 77 -17.876 11.608 -12.584 422 2HG1 ILE 77 3HG1 ILE 77 -16.985 10.726 -11.348 423 1HG2 ILE 77 1HG2 ILE 77 -15.626 11.507 -15.241 424 2HG2 ILE 77 2HG2 ILE 77 -16.647 12.626 -14.340 425 3HG2 ILE 77 3HG2 ILE 77 -14.902 12.627 -14.088 426 1HD1 ILE 77 1HD1 ILE 77 -15.594 12.634 -10.921 427 2HD1 ILE 77 2HD1 ILE 77 -16.333 13.517 -12.257 428 3HD1 ILE 77 3HD1 ILE 77 -17.288 13.115 -10.830 429 H VAL 78 H VAL 78 -16.562 8.921 -16.203 430 HA VAL 78 HA VAL 78 -13.985 7.594 -16.313 431 HB VAL 78 HB VAL 78 -15.935 7.987 -18.581 432 1HG1 VAL 78 1HG1 VAL 78 -13.355 6.925 -18.488 433 2HG1 VAL 78 2HG1 VAL 78 -14.433 5.529 -18.561 434 3HG1 VAL 78 3HG1 VAL 78 -14.523 6.781 -19.802 435 1HG2 VAL 78 1HG2 VAL 78 -15.802 5.704 -16.613 436 2HG2 VAL 78 2HG2 VAL 78 -17.067 6.930 -16.678 437 3HG2 VAL 78 3HG2 VAL 78 -16.861 5.804 -18.020 438 H PHE 79 H PHE 79 -12.167 8.498 -17.009 439 HA PHE 79 HA PHE 79 -12.343 11.063 -18.439 440 1HB PHE 79 2HB PHE 79 -10.263 9.922 -16.586 441 2HB PHE 79 3HB PHE 79 -9.900 11.271 -17.658 442 HD1 PHE 79 HD1 PHE 79 -10.951 13.442 -17.327 443 HD2 PHE 79 HD2 PHE 79 -11.682 10.197 -14.672 444 HE1 PHE 79 HE1 PHE 79 -11.881 15.009 -15.674 445 HE2 PHE 79 HE2 PHE 79 -12.614 11.758 -13.015 446 HZ PHE 79 HZ PHE 79 -12.716 14.167 -13.515 447 H ALA 80 H ALA 80 -10.120 11.413 -19.699 448 HA ALA 80 HA ALA 80 -10.201 9.679 -21.911 449 1HB ALA 80 1HB ALA 80 -9.195 11.442 -22.801 450 2HB ALA 80 2HB ALA 80 -8.876 12.110 -21.200 451 3HB ALA 80 3HB ALA 80 -7.718 11.006 -21.941 452 H THR 81 H THR 81 -7.978 9.894 -19.168 453 HA THR 81 HA THR 81 -7.272 7.136 -19.396 454 HB THR 81 HB THR 81 -4.735 8.499 -19.510 455 HG1 THR 81 HG1 THR 81 -5.552 10.006 -20.878 456 1HG2 THR 81 1HG2 THR 81 -5.591 6.742 -21.722 457 2HG2 THR 81 2HG2 THR 81 -5.684 6.043 -20.106 458 3HG2 THR 81 3HG2 THR 81 -4.150 6.670 -20.709 459 H GLN 82 H GLN 82 -5.529 6.559 -17.770 460 HA GLN 82 HA GLN 82 -6.238 7.387 -15.235 461 1HB GLN 82 2HB GLN 82 -4.663 5.429 -16.173 462 2HB GLN 82 3HB GLN 82 -3.418 6.542 -15.621 463 1HG GLN 82 2HG GLN 82 -5.555 6.138 -13.680 464 2HG GLN 82 3HG GLN 82 -4.682 4.663 -14.089 465 1HE2 GLN 82 1HE2 GLN 82 -3.772 4.541 -12.037 466 2HE2 GLN 82 2HE2 GLN 82 -2.503 5.598 -11.531 467 H GLU 83 H GLU 83 -3.960 8.806 -17.456 468 HA GLU 83 HA GLU 83 -2.454 10.371 -15.704 469 1HB GLU 83 2HB GLU 83 -3.105 10.442 -18.589 470 2HB GLU 83 3HB GLU 83 -2.557 11.958 -17.889 471 1HG GLU 83 2HG GLU 83 -1.046 9.391 -17.537 472 2HG GLU 83 3HG GLU 83 -0.795 10.458 -18.917 473 H SER 84 H SER 84 -5.433 11.206 -17.466 474 HA SER 84 HA SER 84 -5.669 13.770 -16.234 475 1HB SER 84 2HB SER 84 -7.238 12.144 -18.139 476 2HB SER 84 3HB SER 84 -8.175 13.272 -17.160 477 HG SER 84 HG SER 84 -6.322 14.775 -17.866 478 H ALA 85 H ALA 85 -7.268 10.640 -15.754 479 HA ALA 85 HA ALA 85 -9.126 11.350 -13.833 480 1HB ALA 85 1HB ALA 85 -9.555 9.171 -13.861 481 2HB ALA 85 2HB ALA 85 -8.171 8.969 -14.936 482 3HB ALA 85 3HB ALA 85 -7.967 8.794 -13.193 483 H GLN 86 H GLN 86 -5.839 10.088 -13.244 484 HA GLN 86 HA GLN 86 -5.853 10.345 -10.473 485 1HB GLN 86 2HB GLN 86 -4.123 9.082 -11.559 486 2HB GLN 86 3HB GLN 86 -3.571 10.499 -12.442 487 1HG GLN 86 2HG GLN 86 -2.653 11.477 -10.515 488 2HG GLN 86 3HG GLN 86 -3.508 10.364 -9.448 489 1HE2 GLN 86 1HE2 GLN 86 -2.283 8.855 -8.602 490 2HE2 GLN 86 2HE2 GLN 86 -0.867 8.165 -9.312 491 H ALA 87 H ALA 87 -5.220 12.717 -12.973 492 HA ALA 87 HA ALA 87 -4.100 14.721 -11.329 493 1HB ALA 87 1HB ALA 87 -4.061 16.005 -13.192 494 2HB ALA 87 2HB ALA 87 -4.367 14.455 -13.978 495 3HB ALA 87 3HB ALA 87 -5.702 15.564 -13.666 496 H PHE 88 H PHE 88 -7.432 14.088 -12.374 497 HA PHE 88 HA PHE 88 -8.515 16.342 -10.988 498 1HB PHE 88 2HB PHE 88 -9.747 15.570 -12.868 499 2HB PHE 88 3HB PHE 88 -9.759 13.913 -12.272 500 HD1 PHE 88 HD1 PHE 88 -11.291 17.210 -12.033 501 HD2 PHE 88 HD2 PHE 88 -11.274 13.241 -10.495 502 HE1 PHE 88 HE1 PHE 88 -13.474 17.615 -10.972 503 HE2 PHE 88 HE2 PHE 88 -13.457 13.639 -9.432 504 HZ PHE 88 HZ PHE 88 -14.560 15.828 -9.670 505 H VAL 89 H VAL 89 -8.037 12.946 -10.252 506 HA VAL 89 HA VAL 89 -9.655 12.841 -7.933 507 HB VAL 89 HB VAL 89 -7.262 11.158 -8.687 508 1HG1 VAL 89 1HG1 VAL 89 -9.118 11.089 -6.377 509 2HG1 VAL 89 2HG1 VAL 89 -8.666 9.546 -7.105 510 3HG1 VAL 89 3HG1 VAL 89 -7.420 10.627 -6.482 511 1HG2 VAL 89 1HG2 VAL 89 -8.604 9.956 -10.009 512 2HG2 VAL 89 2HG2 VAL 89 -9.909 9.952 -8.823 513 3HG2 VAL 89 3HG2 VAL 89 -9.719 11.320 -9.919 514 H GLU 90 H GLU 90 -6.227 13.551 -8.447 515 HA GLU 90 HA GLU 90 -5.714 13.865 -5.626 516 1HB GLU 90 2HB GLU 90 -3.468 14.257 -6.214 517 2HB GLU 90 3HB GLU 90 -4.037 13.064 -7.373 518 1HG GLU 90 2HG GLU 90 -3.094 14.419 -8.878 519 2HG GLU 90 3HG GLU 90 -4.581 15.351 -8.704 520 H ALA 91 H ALA 91 -6.662 15.871 -8.278 521 HA ALA 91 HA ALA 91 -5.877 18.362 -7.096 522 1HB ALA 91 1HB ALA 91 -6.029 18.310 -9.460 523 2HB ALA 91 2HB ALA 91 -7.676 17.680 -9.409 524 3HB ALA 91 3HB ALA 91 -7.349 19.334 -8.893 525 H PHE 92 H PHE 92 -8.613 16.265 -6.857 526 HA PHE 92 HA PHE 92 -10.003 18.293 -5.233 527 1HB PHE 92 2HB PHE 92 -11.135 16.196 -7.081 528 2HB PHE 92 3HB PHE 92 -12.110 16.987 -5.847 529 HD1 PHE 92 HD1 PHE 92 -9.728 17.932 -8.562 530 HD2 PHE 92 HD2 PHE 92 -13.360 18.784 -6.513 531 HE1 PHE 92 HE1 PHE 92 -10.158 19.798 -10.107 532 HE2 PHE 92 HE2 PHE 92 -13.797 20.650 -8.055 533 HZ PHE 92 HZ PHE 92 -12.195 21.160 -9.856 534 H GLN 93 H GLN 93 -8.154 15.709 -4.923 535 HA GLN 93 HA GLN 93 -9.433 13.767 -3.473 536 1HB GLN 93 2HB GLN 93 -7.154 13.423 -3.967 537 2HB GLN 93 3HB GLN 93 -6.673 14.934 -3.207 538 1HG GLN 93 2HG GLN 93 -7.188 14.022 -1.017 539 2HG GLN 93 3HG GLN 93 -7.733 12.518 -1.758 540 1HE2 GLN 93 1HE2 GLN 93 -6.136 11.541 -0.352 541 2HE2 GLN 93 2HE2 GLN 93 -4.485 11.481 -0.859 542 HN2 GLY 94 H GLY 94 -8.523 16.992 -2.440 543 1HA GLY 94 2HA GLY 94 -10.012 16.520 0.059 544 2HA GLY 94 3HA GLY 94 -8.443 17.310 0.101 545 H TYR 95 H TYR 95 -11.512 17.608 -1.694 546 HA TYR 95 HA TYR 95 -11.455 20.490 -1.112 547 1HB TYR 95 2HB TYR 95 -10.723 20.232 -3.411 548 2HB TYR 95 3HB TYR 95 -12.102 19.198 -3.770 549 HD1 TYR 95 HD1 TYR 95 -14.390 20.177 -3.834 550 HD2 TYR 95 HD2 TYR 95 -10.917 22.604 -3.443 551 HE1 TYR 95 HE1 TYR 95 -15.700 22.149 -4.501 552 HE2 TYR 95 HE2 TYR 95 -12.218 24.583 -4.107 553 HH TYR 95 HH TYR 95 -14.292 25.387 -4.469 554 HA PRO 96 HA PRO 96 -15.557 19.748 0.337 555 1HB PRO 96 2HB PRO 96 -16.389 22.330 0.444 556 2HB PRO 96 3HB PRO 96 -15.270 21.632 1.621 557 1HG PRO 96 2HG PRO 96 -14.684 23.332 -0.772 558 2HG PRO 96 3HG PRO 96 -13.993 23.419 0.859 559 1HD PRO 96 2HD PRO 96 -12.700 22.245 -1.211 560 2HD PRO 96 3HD PRO 96 -12.525 21.686 0.465 561 H PHE 97 H PHE 97 -16.727 18.744 -1.243 562 HA PHE 97 HA PHE 97 -18.094 20.500 -3.161 563 1HB PHE 97 2HB PHE 97 -16.384 19.354 -4.431 564 2HB PHE 97 3HB PHE 97 -16.867 17.802 -3.754 565 HD1 PHE 97 HD1 PHE 97 -17.987 16.442 -5.208 566 HD2 PHE 97 HD2 PHE 97 -18.557 20.651 -5.481 567 HE1 PHE 97 HE1 PHE 97 -19.539 16.106 -7.087 568 HE2 PHE 97 HE2 PHE 97 -20.111 20.322 -7.360 569 HZ PHE 97 HZ PHE 97 -20.605 18.048 -8.165 570 H GLN 98 H GLN 98 -20.201 19.878 -3.734 571 HA GLN 98 HA GLN 98 -22.295 19.102 -3.301 572 1HB GLN 98 2HB GLN 98 -20.581 16.669 -3.017 573 2HB GLN 98 3HB GLN 98 -22.285 16.566 -2.594 574 1HG GLN 98 2HG GLN 98 -22.978 17.013 -4.774 575 2HG GLN 98 3HG GLN 98 -21.405 17.660 -5.237 576 1HE2 GLN 98 1HE2 GLN 98 -23.272 15.326 -6.064 577 2HE2 GLN 98 2HE2 GLN 98 -22.172 14.008 -6.258 578 HN2 GLY 99 H GLY 99 -20.676 20.285 -1.102 579 1HA GLY 99 2HA GLY 99 -22.097 20.734 0.953 580 2HA GLY 99 3HA GLY 99 -22.003 18.997 1.199 581 H ASN 100 H ASN 100 -19.553 18.231 0.999 582 HA ASN 100 HA ASN 100 -17.482 19.906 1.824 583 1HB ASN 100 2HB ASN 100 -19.309 19.122 3.952 584 2HB ASN 100 3HB ASN 100 -17.658 18.601 4.275 585 1HD2 ASN 100 1HD2 ASN 100 -19.718 20.945 4.949 586 2HD2 ASN 100 2HD2 ASN 100 -18.650 22.296 5.089 587 HA PRO 101 HA PRO 101 -16.198 15.338 2.701 588 1HB PRO 101 2HB PRO 101 -18.149 13.451 2.644 589 2HB PRO 101 3HB PRO 101 -17.703 14.328 4.112 590 1HG PRO 101 2HG PRO 101 -19.986 14.811 2.236 591 2HG PRO 101 3HG PRO 101 -19.971 14.835 4.009 592 1HD PRO 101 2HD PRO 101 -19.896 17.096 2.521 593 2HD PRO 101 3HD PRO 101 -19.092 16.964 4.098 594 H LEU 102 H LEU 102 -15.187 15.270 0.745 595 HA LEU 102 HA LEU 102 -16.686 14.040 -1.469 596 1HB LEU 102 2HB LEU 102 -16.436 16.305 -2.099 597 2HB LEU 102 3HB LEU 102 -14.761 16.347 -1.552 598 HG LEU 102 HG LEU 102 -14.231 14.737 -3.420 599 1HD1 LEU 102 1HD1 LEU 102 -17.121 15.157 -3.885 600 2HD1 LEU 102 2HD1 LEU 102 -16.108 13.751 -4.212 601 3HD1 LEU 102 3HD1 LEU 102 -16.076 15.135 -5.306 602 1HD2 LEU 102 1HD2 LEU 102 -14.846 17.575 -3.548 603 2HD2 LEU 102 2HD2 LEU 102 -14.943 16.786 -5.123 604 3HD2 LEU 102 3HD2 LEU 102 -13.457 16.687 -4.176 605 H VAL 103 H VAL 103 -15.834 12.180 -2.102 606 HA VAL 103 HA VAL 103 -12.960 11.715 -1.632 607 HB VAL 103 HB VAL 103 -14.455 10.352 -0.168 608 1HG1 VAL 103 1HG1 VAL 103 -16.117 9.062 -0.945 609 2HG1 VAL 103 2HG1 VAL 103 -16.009 10.070 -2.389 610 3HG1 VAL 103 3HG1 VAL 103 -15.177 8.516 -2.333 611 1HG2 VAL 103 1HG2 VAL 103 -12.297 9.462 -1.847 612 2HG2 VAL 103 2HG2 VAL 103 -12.649 9.054 -0.168 613 3HG2 VAL 103 3HG2 VAL 103 -13.380 8.121 -1.473 614 H ILE 104 H ILE 104 -11.759 10.970 -3.295 615 HA ILE 104 HA ILE 104 -13.133 10.070 -5.728 616 HB ILE 104 HB ILE 104 -11.089 11.376 -6.865 617 1HG1 ILE 104 2HG1 ILE 104 -10.588 12.230 -4.433 618 2HG1 ILE 104 3HG1 ILE 104 -10.447 13.330 -5.800 619 1HG2 ILE 104 1HG2 ILE 104 -13.826 12.378 -6.144 620 2HG2 ILE 104 2HG2 ILE 104 -12.743 13.285 -7.198 621 3HG2 ILE 104 3HG2 ILE 104 -13.277 11.670 -7.663 622 1HD1 ILE 104 1HD1 ILE 104 -12.283 14.533 -5.195 623 2HD1 ILE 104 2HD1 ILE 104 -13.050 13.168 -4.383 624 3HD1 ILE 104 3HD1 ILE 104 -11.713 14.017 -3.608 625 H THR 105 H THR 105 -12.315 8.237 -6.490 626 HA THR 105 HA THR 105 -9.479 7.640 -6.138 627 HB THR 105 HB THR 105 -10.212 5.230 -5.493 628 HG1 THR 105 HG1 THR 105 -12.386 5.281 -5.523 629 1HG2 THR 105 1HG2 THR 105 -10.306 7.555 -3.571 630 2HG2 THR 105 2HG2 THR 105 -8.902 6.578 -4.001 631 3HG2 THR 105 3HG2 THR 105 -10.222 5.866 -3.072 632 H PHE 106 H PHE 106 -8.919 5.541 -7.310 633 HA PHE 106 HA PHE 106 -10.080 5.691 -9.958 634 1HB PHE 106 2HB PHE 106 -7.859 3.888 -8.983 635 2HB PHE 106 3HB PHE 106 -8.249 4.279 -10.654 636 HD1 PHE 106 HD1 PHE 106 -6.694 5.457 -7.570 637 HD2 PHE 106 HD2 PHE 106 -7.654 6.426 -11.602 638 HE1 PHE 106 HE1 PHE 106 -5.128 7.353 -7.483 639 HE2 PHE 106 HE2 PHE 106 -6.090 8.324 -11.522 640 HZ PHE 106 HZ PHE 106 -4.824 8.789 -9.461 641 H SER 107 H SER 107 -9.932 3.228 -10.991 642 HA SER 107 HA SER 107 -11.372 1.363 -9.287 643 1HB SER 107 2HB SER 107 -12.842 3.092 -10.852 644 2HB SER 107 3HB SER 107 -12.716 1.661 -11.875 645 HG SER 107 HG SER 107 -14.398 1.996 -9.952 646 H GLU 108 H GLU 108 -12.172 -0.489 -11.074 647 HA GLU 108 HA GLU 108 -9.634 -1.318 -12.303 648 1HB GLU 108 2HB GLU 108 -10.625 -3.616 -12.227 649 2HB GLU 108 3HB GLU 108 -10.373 -2.882 -10.649 650 1HG GLU 108 2HG GLU 108 -12.683 -2.435 -10.387 651 2HG GLU 108 3HG GLU 108 -13.017 -2.831 -12.071 652 H THR 109 H THR 109 -9.536 -2.015 -14.412 653 HA THR 109 HA THR 109 -11.983 -1.961 -16.015 654 HB THR 109 HB THR 109 -10.700 -0.660 -17.798 655 HG1 THR 109 HG1 THR 109 -8.643 -0.563 -17.077 656 1HG2 THR 109 1HG2 THR 109 -11.637 1.320 -17.095 657 2HG2 THR 109 2HG2 THR 109 -11.135 1.087 -15.420 658 3HG2 THR 109 3HG2 THR 109 -12.498 0.174 -16.067 659 HA PRO 110 HA PRO 110 -9.066 -5.456 -17.028 660 1HB PRO 110 2HB PRO 110 -10.943 -7.408 -16.832 661 2HB PRO 110 3HB PRO 110 -10.004 -6.836 -15.448 662 1HG PRO 110 2HG PRO 110 -12.788 -6.112 -16.278 663 2HG PRO 110 3HG PRO 110 -12.159 -6.464 -14.658 664 1HD PRO 110 2HD PRO 110 -12.572 -3.938 -15.544 665 2HD PRO 110 3HD PRO 110 -11.273 -4.351 -14.405 666 H GLN 111 H GLN 111 -9.646 -7.311 -18.680 667 HA GLN 111 HA GLN 111 -11.658 -6.887 -20.600 668 1HB GLN 111 2HB GLN 111 -9.702 -4.989 -20.843 669 2HB GLN 111 3HB GLN 111 -9.136 -6.227 -21.956 670 1HG GLN 111 2HG GLN 111 -11.564 -6.171 -22.857 671 2HG GLN 111 3HG GLN 111 -11.642 -4.608 -22.045 672 1HE2 GLN 111 1HE2 GLN 111 -12.046 -4.334 -24.549 673 2HE2 GLN 111 2HE2 GLN 111 -10.657 -3.805 -25.428 674 H SER 112 H SER 112 -10.435 -9.039 -19.169 675 HA SER 112 HA SER 112 -8.954 -10.546 -21.177 676 1HB SER 112 2HB SER 112 -8.417 -10.488 -18.643 677 2HB SER 112 3HB SER 112 -9.774 -11.603 -18.480 678 HG SER 112 HG SER 112 -8.533 -13.133 -19.185 679 H GLN 113 H GLN 113 -12.126 -10.327 -19.801 680 HA GLN 113 HA GLN 113 -13.157 -12.848 -20.345 681 1HB GLN 113 2HB GLN 113 -15.344 -11.818 -20.317 682 2HB GLN 113 3HB GLN 113 -14.339 -11.073 -19.081 683 1HG GLN 113 2HG GLN 113 -13.856 -9.364 -21.053 684 2HG GLN 113 3HG GLN 113 -15.441 -9.931 -21.578 685 1HE2 GLN 113 1HE2 GLN 113 -16.764 -8.307 -21.102 686 2HE2 GLN 113 2HE2 GLN 113 -16.933 -7.577 -19.546 687 H VAL 114 H VAL 114 -12.341 -10.263 -22.501 688 HA VAL 114 HA VAL 114 -13.626 -11.675 -24.740 689 HB VAL 114 HB VAL 114 -13.445 -9.629 -26.015 690 1HG1 VAL 114 1HG1 VAL 114 -14.869 -8.135 -24.610 691 2HG1 VAL 114 2HG1 VAL 114 -15.425 -9.808 -24.683 692 3HG1 VAL 114 3HG1 VAL 114 -14.577 -9.221 -23.252 693 1HG2 VAL 114 1HG2 VAL 114 -11.795 -8.737 -23.690 694 2HG2 VAL 114 2HG2 VAL 114 -11.477 -8.581 -25.418 695 3HG2 VAL 114 3HG2 VAL 114 -12.678 -7.546 -24.646 696 H ALA 115 H ALA 115 -11.036 -12.344 -23.403 697 HA ALA 115 HA ALA 115 -8.956 -11.643 -25.247 698 1HB ALA 115 1HB ALA 115 -8.715 -12.245 -22.768 699 2HB ALA 115 2HB ALA 115 -8.815 -13.923 -23.304 700 3HB ALA 115 3HB ALA 115 -7.516 -12.885 -23.893 701 H GLU 116 H GLU 116 -11.123 -14.373 -24.802 702 HA GLU 116 HA GLU 116 -9.866 -16.236 -26.457 703 1HB GLU 116 2HB GLU 116 -12.315 -16.035 -25.068 704 2HB GLU 116 3HB GLU 116 -12.721 -16.420 -26.734 705 1HG GLU 116 2HG GLU 116 -12.495 -18.443 -25.451 706 2HG GLU 116 3HG GLU 116 -11.206 -18.345 -26.649 707 H ASP 117 H ASP 117 -11.947 -13.520 -27.221 708 HA ASP 117 HA ASP 117 -12.588 -12.567 -29.187 709 1HB ASP 117 2HB ASP 117 -10.055 -12.449 -29.330 710 2HB ASP 117 3HB ASP 117 -10.134 -13.867 -30.371 Start of MODEL 4 1 H THR 22 H THR 22 6.588 4.226 -4.131 2 HA THR 22 HA THR 22 7.541 3.932 -6.868 3 HB THR 22 HB THR 22 7.881 1.476 -5.967 4 HG1 THR 22 HG1 THR 22 8.013 1.349 -3.770 5 1HG2 THR 22 1HG2 THR 22 10.056 2.298 -4.879 6 2HG2 THR 22 2HG2 THR 22 9.504 3.918 -5.307 7 3HG2 THR 22 3HG2 THR 22 9.778 2.717 -6.569 8 HA PRO 23 HA PRO 23 3.133 2.469 -7.247 9 1HB PRO 23 2HB PRO 23 2.630 3.808 -9.555 10 2HB PRO 23 3HB PRO 23 2.407 4.530 -7.957 11 1HG PRO 23 2HG PRO 23 4.694 4.824 -9.866 12 2HG PRO 23 3HG PRO 23 3.883 6.064 -8.894 13 1HD PRO 23 2HD PRO 23 6.250 4.965 -8.172 14 2HD PRO 23 3HD PRO 23 5.047 5.508 -6.984 15 HA PRO 24 HA PRO 24 4.987 -0.622 -9.969 16 1HB PRO 24 2HB PRO 24 3.149 -2.540 -9.410 17 2HB PRO 24 3HB PRO 24 4.510 -2.175 -8.343 18 1HG PRO 24 2HG PRO 24 1.658 -1.286 -8.146 19 2HG PRO 24 3HG PRO 24 2.742 -1.860 -6.866 20 1HD PRO 24 2HD PRO 24 2.231 0.768 -7.272 21 2HD PRO 24 3HD PRO 24 3.794 0.181 -6.667 22 H HIS 25 H HIS 25 1.794 0.728 -9.934 23 HA HIS 25 HA HIS 25 0.177 0.965 -11.520 24 1HB HIS 25 2HB HIS 25 2.692 0.808 -13.150 25 2HB HIS 25 3HB HIS 25 1.127 0.930 -13.948 26 HD1 HIS 25 HD1 HIS 25 3.577 3.104 -13.675 27 HD2 HIS 25 HD2 HIS 25 -0.181 3.194 -11.907 28 HE1 HIS 25 HE1 HIS 25 3.138 5.525 -13.153 29 H THR 26 H THR 26 -0.777 -1.054 -10.836 30 HA THR 26 HA THR 26 -0.187 -3.554 -11.945 31 HB THR 26 HB THR 26 -3.007 -3.363 -11.454 32 HG1 THR 26 HG1 THR 26 -2.633 -1.519 -10.247 33 1HG2 THR 26 1HG2 THR 26 -0.933 -4.489 -9.592 34 2HG2 THR 26 2HG2 THR 26 -1.346 -5.282 -11.112 35 3HG2 THR 26 3HG2 THR 26 -2.580 -5.050 -9.875 36 H GLU 27 H GLU 27 -3.028 -1.545 -12.746 37 HA GLU 27 HA GLU 27 -2.657 -2.175 -15.571 38 1HB GLU 27 2HB GLU 27 -5.191 -2.671 -15.659 39 2HB GLU 27 3HB GLU 27 -4.108 -3.936 -15.097 40 1HG GLU 27 2HG GLU 27 -4.875 -3.845 -12.963 41 2HG GLU 27 3HG GLU 27 -5.266 -2.129 -13.058 42 HA PRO 28 HA PRO 28 -4.051 1.930 -16.241 43 1HB PRO 28 2HB PRO 28 -5.345 1.700 -18.617 44 2HB PRO 28 3HB PRO 28 -3.586 1.611 -18.468 45 1HG PRO 28 2HG PRO 28 -5.581 -0.608 -18.702 46 2HG PRO 28 3HG PRO 28 -4.009 -0.429 -19.502 47 1HD PRO 28 2HD PRO 28 -4.368 -2.008 -17.332 48 2HD PRO 28 3HD PRO 28 -2.844 -1.156 -17.651 49 H SER 29 H SER 29 -5.809 3.288 -15.996 50 HA SER 29 HA SER 29 -8.500 2.197 -16.035 51 1HB SER 29 2HB SER 29 -7.660 3.609 -13.523 52 2HB SER 29 3HB SER 29 -9.025 2.524 -13.785 53 HG SER 29 HG SER 29 -7.788 0.886 -13.334 54 H GLN 30 H GLN 30 -9.288 3.626 -17.469 55 HA GLN 30 HA GLN 30 -8.692 6.468 -17.157 56 1HB GLN 30 2HB GLN 30 -10.362 5.219 -19.331 57 2HB GLN 30 3HB GLN 30 -9.530 6.767 -19.355 58 1HG GLN 30 2HG GLN 30 -7.373 5.457 -19.195 59 2HG GLN 30 3HG GLN 30 -8.338 4.019 -19.526 60 1HE2 GLN 30 1HE2 GLN 30 -6.413 4.481 -21.252 61 2HE2 GLN 30 2HE2 GLN 30 -7.013 5.122 -22.739 62 H VAL 31 H VAL 31 -10.553 4.797 -15.425 63 HA VAL 31 HA VAL 31 -12.792 6.689 -15.516 64 HB VAL 31 HB VAL 31 -14.431 4.964 -15.119 65 1HG1 VAL 31 1HG1 VAL 31 -13.161 5.402 -17.509 66 2HG1 VAL 31 2HG1 VAL 31 -13.143 3.642 -17.379 67 3HG1 VAL 31 3HG1 VAL 31 -14.672 4.518 -17.297 68 1HG2 VAL 31 1HG2 VAL 31 -13.402 3.299 -13.881 69 2HG2 VAL 31 2HG2 VAL 31 -13.600 2.526 -15.454 70 3HG2 VAL 31 3HG2 VAL 31 -12.031 3.182 -14.985 71 H VAL 32 H VAL 32 -13.592 7.293 -13.542 72 HA VAL 32 HA VAL 32 -12.263 6.128 -11.181 73 HB VAL 32 HB VAL 32 -12.251 8.260 -10.112 74 1HG1 VAL 32 1HG1 VAL 32 -11.332 8.555 -12.970 75 2HG1 VAL 32 2HG1 VAL 32 -10.834 9.582 -11.625 76 3HG1 VAL 32 3HG1 VAL 32 -10.402 7.872 -11.636 77 1HG2 VAL 32 1HG2 VAL 32 -14.035 9.553 -10.539 78 2HG2 VAL 32 2HG2 VAL 32 -13.054 10.198 -11.855 79 3HG2 VAL 32 3HG2 VAL 32 -14.226 8.919 -12.174 80 H LEU 33 H LEU 33 -13.492 5.651 -9.411 81 HA LEU 33 HA LEU 33 -16.402 5.892 -9.762 82 1HB LEU 33 2HB LEU 33 -16.053 3.646 -9.547 83 2HB LEU 33 3HB LEU 33 -14.633 3.855 -8.525 84 HG LEU 33 HG LEU 33 -16.056 4.340 -6.612 85 1HD1 LEU 33 1HD1 LEU 33 -18.586 3.512 -7.663 86 2HD1 LEU 33 2HD1 LEU 33 -17.989 4.900 -8.572 87 3HD1 LEU 33 3HD1 LEU 33 -18.160 5.002 -6.820 88 1HD2 LEU 33 1HD2 LEU 33 -17.288 2.090 -6.564 89 2HD2 LEU 33 2HD2 LEU 33 -15.535 2.071 -6.757 90 3HD2 LEU 33 3HD2 LEU 33 -16.580 1.823 -8.157 91 H ILE 34 H ILE 34 -17.408 7.339 -8.550 92 HA ILE 34 HA ILE 34 -16.134 8.219 -6.047 93 HB ILE 34 HB ILE 34 -17.502 10.255 -6.236 94 1HG1 ILE 34 2HG1 ILE 34 -19.117 8.799 -7.876 95 2HG1 ILE 34 3HG1 ILE 34 -19.140 10.556 -7.768 96 1HG2 ILE 34 1HG2 ILE 34 -15.780 9.565 -8.607 97 2HG2 ILE 34 2HG2 ILE 34 -16.357 11.194 -8.257 98 3HG2 ILE 34 3HG2 ILE 34 -15.292 10.372 -7.117 99 1HD1 ILE 34 1HD1 ILE 34 -17.470 9.030 -9.746 100 2HD1 ILE 34 2HD1 ILE 34 -19.089 9.644 -10.084 101 3HD1 ILE 34 3HD1 ILE 34 -17.782 10.765 -9.708 102 H THR 35 H THR 35 -17.349 8.420 -4.160 103 HA THR 35 HA THR 35 -20.106 7.463 -4.173 104 HB THR 35 HB THR 35 -19.735 5.827 -2.416 105 HG1 THR 35 HG1 THR 35 -17.978 6.432 -1.295 106 1HG2 THR 35 1HG2 THR 35 -19.555 5.083 -4.759 107 2HG2 THR 35 2HG2 THR 35 -18.531 4.132 -3.683 108 3HG2 THR 35 3HG2 THR 35 -17.817 5.377 -4.706 109 H ASN 36 H ASN 36 -20.700 7.319 -1.589 110 HA ASN 36 HA ASN 36 -21.172 8.523 0.282 111 1HB ASN 36 2HB ASN 36 -18.391 8.759 -0.063 112 2HB ASN 36 3HB ASN 36 -18.964 10.385 0.296 113 1HD2 ASN 36 1HD2 ASN 36 -17.344 8.544 1.891 114 2HD2 ASN 36 2HD2 ASN 36 -18.191 8.341 3.383 115 H ILE 37 H ILE 37 -21.830 9.477 -2.483 116 HA ILE 37 HA ILE 37 -21.939 12.370 -2.138 117 HB ILE 37 HB ILE 37 -23.004 12.350 -4.400 118 1HG1 ILE 37 2HG1 ILE 37 -22.277 9.414 -4.378 119 2HG1 ILE 37 3HG1 ILE 37 -23.917 10.027 -4.202 120 1HG2 ILE 37 1HG2 ILE 37 -20.328 10.988 -4.131 121 2HG2 ILE 37 2HG2 ILE 37 -20.938 11.741 -5.604 122 3HG2 ILE 37 3HG2 ILE 37 -20.627 12.725 -4.174 123 1HD1 ILE 37 1HD1 ILE 37 -23.159 11.266 -6.478 124 2HD1 ILE 37 2HD1 ILE 37 -22.244 9.763 -6.592 125 3HD1 ILE 37 3HD1 ILE 37 -23.998 9.717 -6.415 126 H ASN 38 H ASN 38 -23.753 13.519 -1.711 127 HA ASN 38 HA ASN 38 -25.988 12.131 -0.584 128 1HB ASN 38 2HB ASN 38 -24.908 14.759 -0.468 129 2HB ASN 38 3HB ASN 38 -26.583 14.896 -0.995 130 1HD2 ASN 38 1HD2 ASN 38 -28.232 14.049 0.348 131 2HD2 ASN 38 2HD2 ASN 38 -27.974 13.852 2.045 132 HA PRO 39 HA PRO 39 -28.199 11.755 -4.433 133 1HB PRO 39 2HB PRO 39 -30.423 10.622 -3.365 134 2HB PRO 39 3HB PRO 39 -28.924 9.725 -3.637 135 1HG PRO 39 2HG PRO 39 -29.971 10.941 -1.110 136 2HG PRO 39 3HG PRO 39 -29.206 9.361 -1.358 137 1HD PRO 39 2HD PRO 39 -27.863 11.488 -0.357 138 2HD PRO 39 3HD PRO 39 -27.079 10.249 -1.358 139 H GLU 40 H GLU 40 -28.875 13.751 -1.798 140 HA GLU 40 HA GLU 40 -31.442 14.674 -2.199 141 1HB GLU 40 2HB GLU 40 -29.047 15.628 -0.890 142 2HB GLU 40 3HB GLU 40 -29.928 16.962 -1.621 143 1HG GLU 40 2HG GLU 40 -31.951 15.638 -0.427 144 2HG GLU 40 3HG GLU 40 -30.624 15.264 0.671 145 H VAL 41 H VAL 41 -28.592 15.229 -4.112 146 HA VAL 41 HA VAL 41 -29.916 17.297 -5.694 147 HB VAL 41 HB VAL 41 -27.590 17.707 -5.129 148 1HG1 VAL 41 1HG1 VAL 41 -27.023 15.134 -6.598 149 2HG1 VAL 41 2HG1 VAL 41 -25.800 16.274 -6.034 150 3HG1 VAL 41 3HG1 VAL 41 -26.820 15.426 -4.871 151 1HG2 VAL 41 1HG2 VAL 41 -28.070 17.101 -8.041 152 2HG2 VAL 41 2HG2 VAL 41 -28.312 18.638 -7.210 153 3HG2 VAL 41 3HG2 VAL 41 -26.681 18.007 -7.440 154 HA PRO 42 HA PRO 42 -31.289 14.367 -8.707 155 1HB PRO 42 2HB PRO 42 -31.889 16.139 -10.675 156 2HB PRO 42 3HB PRO 42 -32.899 15.917 -9.242 157 1HG PRO 42 2HG PRO 42 -30.859 18.032 -9.812 158 2HG PRO 42 3HG PRO 42 -32.468 18.196 -9.085 159 1HD PRO 42 2HD PRO 42 -30.199 18.161 -7.608 160 2HD PRO 42 3HD PRO 42 -31.738 17.510 -7.009 161 H LYS 43 H LYS 43 -30.369 13.225 -10.327 162 HA LYS 43 HA LYS 43 -27.722 13.415 -10.991 163 1HB LYS 43 2HB LYS 43 -28.841 11.408 -11.530 164 2HB LYS 43 3HB LYS 43 -30.047 12.243 -12.500 165 1HG LYS 43 2HG LYS 43 -28.432 12.694 -14.219 166 2HG LYS 43 3HG LYS 43 -27.132 12.033 -13.224 167 1HD LYS 43 2HD LYS 43 -28.004 9.834 -13.392 168 2HD LYS 43 3HD LYS 43 -29.525 10.414 -14.073 169 1HE LYS 43 2HE LYS 43 -28.306 11.185 -16.070 170 2HE LYS 43 3HE LYS 43 -26.812 10.541 -15.389 171 1HZ LYS 43 1HZ LYS 43 -27.326 8.518 -16.099 172 2HZ LYS 43 2HZ LYS 43 -28.610 9.195 -16.966 173 3HZ LYS 43 3HZ LYS 43 -28.871 8.578 -15.413 174 H GLU 44 H GLU 44 -30.435 15.066 -12.478 175 HA GLU 44 HA GLU 44 -29.333 15.957 -14.841 176 1HB GLU 44 2HB GLU 44 -31.178 17.430 -12.953 177 2HB GLU 44 3HB GLU 44 -30.839 17.936 -14.602 178 1HG GLU 44 2HG GLU 44 -31.660 15.176 -14.521 179 2HG GLU 44 3HG GLU 44 -32.850 16.219 -13.743 180 H LYS 45 H LYS 45 -29.248 17.665 -11.711 181 HA LYS 45 HA LYS 45 -27.283 19.538 -12.709 182 1HB LYS 45 2HB LYS 45 -28.331 19.206 -9.893 183 2HB LYS 45 3HB LYS 45 -27.454 20.591 -10.530 184 1HG LYS 45 2HG LYS 45 -29.328 20.997 -12.098 185 2HG LYS 45 3HG LYS 45 -30.213 19.682 -11.322 186 1HD LYS 45 2HD LYS 45 -29.227 22.190 -9.962 187 2HD LYS 45 3HD LYS 45 -30.893 21.865 -10.445 188 1HE LYS 45 2HE LYS 45 -30.016 19.656 -8.916 189 2HE LYS 45 3HE LYS 45 -29.533 21.112 -8.048 190 1HZ LYS 45 1HZ LYS 45 -31.841 20.165 -7.599 191 2HZ LYS 45 2HZ LYS 45 -32.273 20.801 -9.106 192 3HZ LYS 45 3HZ LYS 45 -31.723 21.830 -7.881 193 H LEU 46 H LEU 46 -27.401 16.876 -10.377 194 HA LEU 46 HA LEU 46 -24.867 17.064 -9.293 195 1HB LEU 46 2HB LEU 46 -25.852 15.378 -8.217 196 2HB LEU 46 3HB LEU 46 -26.898 15.008 -9.587 197 HG LEU 46 HG LEU 46 -25.020 13.718 -10.592 198 1HD1 LEU 46 1HD1 LEU 46 -23.000 14.252 -9.778 199 2HD1 LEU 46 2HD1 LEU 46 -23.386 13.069 -8.529 200 3HD1 LEU 46 3HD1 LEU 46 -23.650 14.786 -8.228 201 1HD2 LEU 46 1HD2 LEU 46 -26.516 12.294 -9.615 202 2HD2 LEU 46 2HD2 LEU 46 -26.334 13.018 -8.017 203 3HD2 LEU 46 3HD2 LEU 46 -25.087 11.938 -8.645 204 H GLN 47 H GLN 47 -25.860 15.329 -12.234 205 HA GLN 47 HA GLN 47 -23.306 14.355 -12.901 206 1HB GLN 47 2HB GLN 47 -25.343 13.441 -13.886 207 2HB GLN 47 3HB GLN 47 -25.664 14.972 -14.689 208 1HG GLN 47 2HG GLN 47 -23.110 14.313 -15.515 209 2HG GLN 47 3HG GLN 47 -23.967 12.772 -15.495 210 1HE2 GLN 47 1HE2 GLN 47 -22.991 14.137 -17.793 211 2HE2 GLN 47 2HE2 GLN 47 -24.353 14.524 -18.783 212 H ALA 48 H ALA 48 -25.064 17.232 -14.037 213 HA ALA 48 HA ALA 48 -23.129 18.200 -15.793 214 1HB ALA 48 1HB ALA 48 -25.419 19.061 -15.689 215 2HB ALA 48 2HB ALA 48 -25.066 19.804 -14.128 216 3HB ALA 48 3HB ALA 48 -24.230 20.360 -15.578 217 H LEU 49 H LEU 49 -23.355 18.416 -12.310 218 HA LEU 49 HA LEU 49 -21.375 20.444 -11.993 219 1HB LEU 49 2HB LEU 49 -23.132 18.949 -10.330 220 2HB LEU 49 3HB LEU 49 -21.498 18.791 -9.688 221 HG LEU 49 HG LEU 49 -22.543 20.608 -8.565 222 1HD1 LEU 49 1HD1 LEU 49 -21.006 22.221 -10.492 223 2HD1 LEU 49 2HD1 LEU 49 -20.165 20.833 -9.802 224 3HD1 LEU 49 3HD1 LEU 49 -20.839 22.071 -8.742 225 1HD2 LEU 49 1HD2 LEU 49 -23.019 22.507 -10.607 226 2HD2 LEU 49 2HD2 LEU 49 -24.182 21.762 -9.511 227 3HD2 LEU 49 3HD2 LEU 49 -23.833 21.012 -11.070 228 H LEU 50 H LEU 50 -21.328 16.905 -11.642 229 HA LEU 50 HA LEU 50 -18.677 16.590 -10.890 230 1HB LEU 50 2HB LEU 50 -20.435 14.817 -12.572 231 2HB LEU 50 3HB LEU 50 -18.859 14.330 -11.952 232 HG LEU 50 HG LEU 50 -21.244 15.074 -10.259 233 1HD1 LEU 50 1HD1 LEU 50 -21.563 12.777 -9.847 234 2HD1 LEU 50 2HD1 LEU 50 -20.042 12.344 -10.628 235 3HD1 LEU 50 3HD1 LEU 50 -21.396 12.928 -11.597 236 1HD2 LEU 50 1HD2 LEU 50 -19.194 15.582 -9.115 237 2HD2 LEU 50 2HD2 LEU 50 -18.508 14.019 -9.557 238 3HD2 LEU 50 3HD2 LEU 50 -19.867 14.101 -8.435 239 H TYR 51 H TYR 51 -20.036 17.339 -13.998 240 HA TYR 51 HA TYR 51 -17.731 16.658 -15.539 241 1HB TYR 51 2HB TYR 51 -20.118 16.887 -16.393 242 2HB TYR 51 3HB TYR 51 -19.877 18.629 -16.322 243 HD1 TYR 51 HD1 TYR 51 -19.720 15.833 -18.404 244 HD2 TYR 51 HD2 TYR 51 -17.645 19.446 -17.541 245 HE1 TYR 51 HE1 TYR 51 -18.701 15.776 -20.642 246 HE2 TYR 51 HE2 TYR 51 -16.622 19.400 -19.777 247 HH TYR 51 HH TYR 51 -17.696 17.329 -22.248 248 H ALA 52 H ALA 52 -19.040 19.701 -14.261 249 HA ALA 52 HA ALA 52 -17.239 21.495 -15.324 250 1HB ALA 52 1HB ALA 52 -17.698 22.338 -12.678 251 2HB ALA 52 2HB ALA 52 -18.542 22.845 -14.142 252 3HB ALA 52 3HB ALA 52 -19.151 21.485 -13.198 253 H LEU 53 H LEU 53 -16.950 19.820 -12.186 254 HA LEU 53 HA LEU 53 -14.378 20.790 -11.585 255 1HB LEU 53 2HB LEU 53 -15.533 18.168 -10.668 256 2HB LEU 53 3HB LEU 53 -14.315 19.150 -9.856 257 HG LEU 53 HG LEU 53 -17.189 19.982 -10.241 258 1HD1 LEU 53 1HD1 LEU 53 -17.080 19.589 -7.646 259 2HD1 LEU 53 2HD1 LEU 53 -15.830 18.430 -8.097 260 3HD1 LEU 53 3HD1 LEU 53 -17.459 18.268 -8.751 261 1HD2 LEU 53 1HD2 LEU 53 -16.246 21.977 -9.807 262 2HD2 LEU 53 2HD2 LEU 53 -14.775 21.259 -9.150 263 3HD2 LEU 53 3HD2 LEU 53 -16.219 21.389 -8.145 264 H ALA 54 H ALA 54 -15.462 17.807 -13.158 265 HA ALA 54 HA ALA 54 -13.013 16.512 -13.386 266 1HB ALA 54 1HB ALA 54 -15.342 16.463 -15.302 267 2HB ALA 54 2HB ALA 54 -14.014 15.302 -15.277 268 3HB ALA 54 3HB ALA 54 -15.113 15.414 -13.903 269 H SER 55 H SER 55 -14.592 18.637 -15.777 270 HA SER 55 HA SER 55 -12.537 18.629 -17.663 271 1HB SER 55 2HB SER 55 -14.705 19.492 -18.257 272 2HB SER 55 3HB SER 55 -14.600 20.747 -17.022 273 HG SER 55 HG SER 55 -13.054 20.509 -19.387 274 H SER 56 H SER 56 -12.931 20.469 -14.718 275 HA SER 56 HA SER 56 -11.077 22.505 -15.148 276 1HB SER 56 2HB SER 56 -12.689 21.736 -13.055 277 2HB SER 56 3HB SER 56 -11.074 21.444 -12.412 278 HG SER 56 HG SER 56 -11.238 23.521 -11.998 279 H GLN 57 H GLN 57 -10.606 19.138 -14.579 280 HA GLN 57 HA GLN 57 -7.721 19.577 -14.191 281 1HB GLN 57 2HB GLN 57 -9.460 17.216 -13.468 282 2HB GLN 57 3HB GLN 57 -7.705 17.210 -13.354 283 1HG GLN 57 2HG GLN 57 -9.240 19.350 -11.965 284 2HG GLN 57 3HG GLN 57 -9.187 17.732 -11.268 285 1HE2 GLN 57 1HE2 GLN 57 -6.705 16.880 -11.716 286 2HE2 GLN 57 2HE2 GLN 57 -5.543 17.906 -10.954 287 HN2 GLY 58 H GLY 58 -9.606 16.819 -15.417 288 1HA GLY 58 2HA GLY 58 -7.926 16.902 -17.848 289 2HA GLY 58 3HA GLY 58 -8.383 15.401 -17.056 290 H ASP 59 H ASP 59 -8.908 15.590 -19.674 291 HA ASP 59 HA ASP 59 -11.493 16.665 -20.245 292 1HB ASP 59 2HB ASP 59 -9.646 14.800 -21.727 293 2HB ASP 59 3HB ASP 59 -11.244 15.213 -22.344 294 H ILE 60 H ILE 60 -13.439 15.574 -20.567 295 HA ILE 60 HA ILE 60 -13.604 12.967 -19.209 296 HB ILE 60 HB ILE 60 -15.795 15.005 -19.623 297 1HG1 ILE 60 2HG1 ILE 60 -15.450 14.790 -16.931 298 2HG1 ILE 60 3HG1 ILE 60 -13.794 14.587 -17.493 299 1HG2 ILE 60 1HG2 ILE 60 -16.392 13.151 -17.573 300 2HG2 ILE 60 2HG2 ILE 60 -17.215 13.380 -19.115 301 3HG2 ILE 60 3HG2 ILE 60 -15.882 12.232 -18.990 302 1HD1 ILE 60 1HD1 ILE 60 -15.339 16.973 -17.235 303 2HD1 ILE 60 2HD1 ILE 60 -13.632 16.784 -17.638 304 3HD1 ILE 60 3HD1 ILE 60 -14.848 16.762 -18.916 305 H LEU 61 H LEU 61 -14.390 11.234 -20.256 306 HA LEU 61 HA LEU 61 -15.146 11.586 -23.064 307 1HB LEU 61 2HB LEU 61 -14.660 8.939 -21.758 308 2HB LEU 61 3HB LEU 61 -14.468 9.397 -23.449 309 HG LEU 61 HG LEU 61 -12.639 10.088 -21.154 310 1HD1 LEU 61 1HD1 LEU 61 -12.599 8.129 -23.377 311 2HD1 LEU 61 2HD1 LEU 61 -11.967 7.999 -21.736 312 3HD1 LEU 61 3HD1 LEU 61 -11.078 8.915 -22.954 313 1HD2 LEU 61 1HD2 LEU 61 -11.289 10.926 -23.292 314 2HD2 LEU 61 2HD2 LEU 61 -12.354 11.985 -22.367 315 3HD2 LEU 61 3HD2 LEU 61 -12.926 11.248 -23.864 316 H ASP 62 H ASP 62 -16.398 10.615 -19.990 317 HA ASP 62 HA ASP 62 -19.071 10.769 -20.772 318 1HB ASP 62 2HB ASP 62 -18.918 8.783 -22.022 319 2HB ASP 62 3HB ASP 62 -17.886 8.005 -20.826 320 H ILE 63 H ILE 63 -20.132 11.247 -18.971 321 HA ILE 63 HA ILE 63 -19.003 10.361 -16.406 322 HB ILE 63 HB ILE 63 -20.944 12.613 -16.943 323 1HG1 ILE 63 2HG1 ILE 63 -17.979 12.649 -16.340 324 2HG1 ILE 63 3HG1 ILE 63 -18.738 13.103 -17.861 325 1HG2 ILE 63 1HG2 ILE 63 -20.565 13.248 -14.634 326 2HG2 ILE 63 2HG2 ILE 63 -21.175 11.596 -14.717 327 3HG2 ILE 63 3HG2 ILE 63 -19.462 11.889 -14.419 328 1HD1 ILE 63 1HD1 ILE 63 -19.945 14.903 -16.571 329 2HD1 ILE 63 2HD1 ILE 63 -18.861 14.534 -15.229 330 3HD1 ILE 63 3HD1 ILE 63 -18.204 15.109 -16.761 331 H VAL 64 H VAL 64 -19.962 8.630 -15.577 332 HA VAL 64 HA VAL 64 -22.806 8.159 -16.110 333 HB VAL 64 HB VAL 64 -20.802 6.277 -14.861 334 1HG1 VAL 64 1HG1 VAL 64 -22.702 5.235 -14.268 335 2HG1 VAL 64 2HG1 VAL 64 -23.681 6.150 -15.417 336 3HG1 VAL 64 3HG1 VAL 64 -22.759 4.748 -15.961 337 1HG2 VAL 64 1HG2 VAL 64 -20.899 5.141 -17.102 338 2HG2 VAL 64 2HG2 VAL 64 -21.703 6.584 -17.719 339 3HG2 VAL 64 3HG2 VAL 64 -20.062 6.693 -17.083 340 H VAL 65 H VAL 65 -24.283 7.746 -14.451 341 HA VAL 65 HA VAL 65 -23.414 8.150 -11.694 342 HB VAL 65 HB VAL 65 -25.665 9.788 -12.862 343 1HG1 VAL 65 1HG1 VAL 65 -26.228 10.122 -10.742 344 2HG1 VAL 65 2HG1 VAL 65 -24.866 9.145 -10.192 345 3HG1 VAL 65 3HG1 VAL 65 -24.657 10.874 -10.468 346 1HG2 VAL 65 1HG2 VAL 65 -24.017 11.701 -12.367 347 2HG2 VAL 65 2HG2 VAL 65 -22.775 10.449 -12.404 348 3HG2 VAL 65 3HG2 VAL 65 -23.770 10.746 -13.830 349 H ASP 66 H ASP 66 -24.599 7.029 -10.233 350 HA ASP 66 HA ASP 66 -26.285 4.957 -11.108 351 1HB ASP 66 2HB ASP 66 -24.957 5.544 -8.774 352 2HB ASP 66 3HB ASP 66 -26.642 5.750 -8.306 353 H LEU 67 H LEU 67 -28.401 4.934 -9.283 354 HA LEU 67 HA LEU 67 -30.194 6.836 -10.577 355 1HB LEU 67 2HB LEU 67 -31.959 5.444 -9.395 356 2HB LEU 67 3HB LEU 67 -31.037 4.660 -10.675 357 HG LEU 67 HG LEU 67 -31.537 3.356 -8.505 358 1HD1 LEU 67 1HD1 LEU 67 -29.343 3.365 -10.328 359 2HD1 LEU 67 2HD1 LEU 67 -30.087 2.003 -9.490 360 3HD1 LEU 67 3HD1 LEU 67 -28.766 2.891 -8.730 361 1HD2 LEU 67 1HD2 LEU 67 -29.142 4.937 -7.583 362 2HD2 LEU 67 2HD2 LEU 67 -29.977 3.655 -6.705 363 3HD2 LEU 67 3HD2 LEU 67 -30.790 5.192 -7.007 364 H SER 68 H SER 68 -28.259 7.435 -8.309 365 HA SER 68 HA SER 68 -28.193 8.634 -6.371 366 1HB SER 68 2HB SER 68 -29.146 10.366 -7.755 367 2HB SER 68 3HB SER 68 -30.764 9.687 -7.571 368 HG SER 68 HG SER 68 -30.029 11.558 -6.170 369 H ASP 69 H ASP 69 -28.779 6.251 -5.613 370 HA ASP 69 HA ASP 69 -31.338 5.962 -4.350 371 1HB ASP 69 2HB ASP 69 -29.154 4.269 -4.988 372 2HB ASP 69 3HB ASP 69 -29.391 4.172 -3.246 373 H ASP 70 H ASP 70 -31.798 5.959 -2.136 374 HA ASP 70 HA ASP 70 -30.335 7.900 -0.616 375 1HB ASP 70 2HB ASP 70 -32.946 6.987 -0.625 376 2HB ASP 70 3HB ASP 70 -32.298 6.334 0.877 377 H ASN 71 H ASN 71 -29.845 4.674 -1.165 378 HA ASN 71 HA ASN 71 -28.465 4.338 1.417 379 1HB ASN 71 2HB ASN 71 -30.497 2.746 0.411 380 2HB ASN 71 3HB ASN 71 -29.038 1.853 -0.006 381 1HD2 ASN 71 1HD2 ASN 71 -27.667 1.139 1.652 382 2HD2 ASN 71 2HD2 ASN 71 -28.226 0.988 3.280 383 H SER 72 H SER 72 -28.106 4.688 -1.887 384 HA SER 72 HA SER 72 -25.459 3.394 -1.836 385 1HB SER 72 2HB SER 72 -27.605 3.215 -3.742 386 2HB SER 72 3HB SER 72 -26.186 3.920 -4.517 387 HG SER 72 HG SER 72 -26.566 1.421 -4.158 388 HN2 GLY 73 H GLY 73 -26.987 5.850 -3.915 389 1HA GLY 73 2HA GLY 73 -26.201 7.875 -4.665 390 2HA GLY 73 3HA GLY 73 -25.673 8.102 -3.004 391 H LYS 74 H LYS 74 -24.727 7.072 -6.208 392 HA LYS 74 HA LYS 74 -21.993 7.811 -5.663 393 1HB LYS 74 2HB LYS 74 -21.003 5.677 -6.269 394 2HB LYS 74 3HB LYS 74 -22.055 5.474 -4.875 395 1HG LYS 74 2HG LYS 74 -23.721 4.979 -7.018 396 2HG LYS 74 3HG LYS 74 -22.187 4.251 -7.499 397 1HD LYS 74 2HD LYS 74 -22.967 3.724 -4.720 398 2HD LYS 74 3HD LYS 74 -24.062 3.047 -5.929 399 1HE LYS 74 2HE LYS 74 -22.631 1.390 -6.295 400 2HE LYS 74 3HE LYS 74 -21.404 2.556 -6.788 401 1HZ LYS 74 1HZ LYS 74 -20.634 1.155 -4.973 402 2HZ LYS 74 2HZ LYS 74 -21.916 1.674 -3.999 403 3HZ LYS 74 3HZ LYS 74 -20.725 2.773 -4.485 404 H ALA 75 H ALA 75 -20.634 7.168 -7.752 405 HA ALA 75 HA ALA 75 -22.032 7.049 -10.222 406 1HB ALA 75 1HB ALA 75 -22.690 9.231 -10.134 407 2HB ALA 75 2HB ALA 75 -21.320 9.722 -9.137 408 3HB ALA 75 3HB ALA 75 -21.098 9.437 -10.864 409 H TYR 76 H TYR 76 -20.402 7.892 -12.049 410 HA TYR 76 HA TYR 76 -17.641 7.290 -11.322 411 1HB TYR 76 2HB TYR 76 -18.789 5.863 -13.692 412 2HB TYR 76 3HB TYR 76 -17.374 5.459 -12.727 413 HD1 TYR 76 HD1 TYR 76 -21.049 5.318 -12.876 414 HD2 TYR 76 HD2 TYR 76 -17.568 4.125 -10.740 415 HE1 TYR 76 HE1 TYR 76 -22.396 3.709 -11.592 416 HE2 TYR 76 HE2 TYR 76 -18.904 2.512 -9.452 417 HH TYR 76 HH TYR 76 -21.411 1.243 -10.127 418 H ILE 77 H ILE 77 -16.285 8.622 -12.325 419 HA ILE 77 HA ILE 77 -17.274 10.104 -14.667 420 HB ILE 77 HB ILE 77 -14.993 10.905 -12.863 421 1HG1 ILE 77 2HG1 ILE 77 -17.888 11.784 -12.784 422 2HG1 ILE 77 3HG1 ILE 77 -17.068 10.816 -11.564 423 1HG2 ILE 77 1HG2 ILE 77 -14.775 12.755 -14.123 424 2HG2 ILE 77 2HG2 ILE 77 -15.572 11.780 -15.357 425 3HG2 ILE 77 3HG2 ILE 77 -16.513 12.909 -14.383 426 1HD1 ILE 77 1HD1 ILE 77 -16.972 12.875 -10.599 427 2HD1 ILE 77 2HD1 ILE 77 -15.451 12.885 -11.492 428 3HD1 ILE 77 3HD1 ILE 77 -16.862 13.719 -12.143 429 H VAL 78 H VAL 78 -16.524 9.327 -16.521 430 HA VAL 78 HA VAL 78 -13.993 7.907 -16.630 431 HB VAL 78 HB VAL 78 -15.844 8.517 -18.933 432 1HG1 VAL 78 1HG1 VAL 78 -14.417 7.352 -20.176 433 2HG1 VAL 78 2HG1 VAL 78 -13.308 7.336 -18.803 434 3HG1 VAL 78 3HG1 VAL 78 -14.446 6.007 -19.036 435 1HG2 VAL 78 1HG2 VAL 78 -15.867 6.110 -17.113 436 2HG2 VAL 78 2HG2 VAL 78 -17.085 7.386 -17.145 437 3HG2 VAL 78 3HG2 VAL 78 -16.867 6.339 -18.548 438 H PHE 79 H PHE 79 -12.123 8.786 -17.210 439 HA PHE 79 HA PHE 79 -12.163 11.444 -18.473 440 1HB PHE 79 2HB PHE 79 -10.184 10.119 -16.629 441 2HB PHE 79 3HB PHE 79 -9.751 11.528 -17.590 442 HD1 PHE 79 HD1 PHE 79 -11.642 10.298 -14.739 443 HD2 PHE 79 HD2 PHE 79 -10.781 13.697 -17.152 444 HE1 PHE 79 HE1 PHE 79 -12.594 11.765 -13.008 445 HE2 PHE 79 HE2 PHE 79 -11.731 15.169 -15.425 446 HZ PHE 79 HZ PHE 79 -12.638 14.203 -13.349 447 H ALA 80 H ALA 80 -9.878 11.794 -19.622 448 HA ALA 80 HA ALA 80 -9.930 10.201 -21.942 449 1HB ALA 80 1HB ALA 80 -9.003 12.159 -22.530 450 2HB ALA 80 2HB ALA 80 -8.324 12.436 -20.926 451 3HB ALA 80 3HB ALA 80 -7.488 11.383 -22.067 452 H THR 81 H THR 81 -7.788 10.194 -19.124 453 HA THR 81 HA THR 81 -7.161 7.430 -19.486 454 HB THR 81 HB THR 81 -4.582 8.718 -19.445 455 HG1 THR 81 HG1 THR 81 -5.856 10.265 -20.751 456 1HG2 THR 81 1HG2 THR 81 -4.036 7.078 -21.030 457 2HG2 THR 81 2HG2 THR 81 -5.691 6.979 -21.631 458 3HG2 THR 81 3HG2 THR 81 -5.288 6.322 -20.045 459 H GLN 82 H GLN 82 -5.517 6.694 -17.836 460 HA GLN 82 HA GLN 82 -6.274 7.418 -15.284 461 1HB GLN 82 2HB GLN 82 -4.753 5.445 -16.277 462 2HB GLN 82 3HB GLN 82 -3.481 6.470 -15.625 463 1HG GLN 82 2HG GLN 82 -5.712 6.040 -13.790 464 2HG GLN 82 3HG GLN 82 -4.851 4.568 -14.237 465 1HE2 GLN 82 1HE2 GLN 82 -3.650 4.118 -12.514 466 2HE2 GLN 82 2HE2 GLN 82 -2.531 5.200 -11.764 467 H GLU 83 H GLU 83 -3.851 8.841 -17.348 468 HA GLU 83 HA GLU 83 -2.326 10.237 -15.487 469 1HB GLU 83 2HB GLU 83 -2.876 10.438 -18.363 470 2HB GLU 83 3HB GLU 83 -2.434 11.966 -17.615 471 1HG GLU 83 2HG GLU 83 -0.807 9.475 -17.243 472 2HG GLU 83 3HG GLU 83 -0.562 10.572 -18.601 473 H SER 84 H SER 84 -5.208 11.360 -17.257 474 HA SER 84 HA SER 84 -5.363 13.815 -15.808 475 1HB SER 84 2HB SER 84 -6.868 12.485 -17.949 476 2HB SER 84 3HB SER 84 -7.872 13.455 -16.872 477 HG SER 84 HG SER 84 -6.754 14.479 -18.798 478 H ALA 85 H ALA 85 -7.124 10.740 -15.662 479 HA ALA 85 HA ALA 85 -9.029 11.372 -13.762 480 1HB ALA 85 1HB ALA 85 -9.550 9.230 -14.015 481 2HB ALA 85 2HB ALA 85 -8.108 9.042 -15.013 482 3HB ALA 85 3HB ALA 85 -8.028 8.724 -13.280 483 H GLN 86 H GLN 86 -5.820 9.931 -13.158 484 HA GLN 86 HA GLN 86 -5.911 9.894 -10.394 485 1HB GLN 86 2HB GLN 86 -4.127 8.793 -11.569 486 2HB GLN 86 3HB GLN 86 -3.564 10.316 -12.246 487 1HG GLN 86 2HG GLN 86 -3.652 10.080 -9.295 488 2HG GLN 86 3HG GLN 86 -2.410 9.172 -10.155 489 1HE2 GLN 86 1HE2 GLN 86 -0.991 10.375 -11.577 490 2HE2 GLN 86 2HE2 GLN 86 -0.606 12.016 -11.198 491 H ALA 87 H ALA 87 -4.958 12.528 -12.552 492 HA ALA 87 HA ALA 87 -4.035 14.325 -10.618 493 1HB ALA 87 1HB ALA 87 -5.350 14.875 -13.274 494 2HB ALA 87 2HB ALA 87 -4.498 16.075 -12.302 495 3HB ALA 87 3HB ALA 87 -3.623 14.695 -12.965 496 H PHE 88 H PHE 88 -7.281 13.981 -12.036 497 HA PHE 88 HA PHE 88 -8.469 16.034 -10.499 498 1HB PHE 88 2HB PHE 88 -9.576 15.343 -12.499 499 2HB PHE 88 3HB PHE 88 -9.634 13.666 -11.965 500 HD1 PHE 88 HD1 PHE 88 -11.163 16.959 -11.714 501 HD2 PHE 88 HD2 PHE 88 -11.242 12.952 -10.281 502 HE1 PHE 88 HE1 PHE 88 -13.399 17.346 -10.764 503 HE2 PHE 88 HE2 PHE 88 -13.478 13.333 -9.329 504 HZ PHE 88 HZ PHE 88 -14.560 15.532 -9.570 505 H VAL 89 H VAL 89 -7.998 12.598 -9.961 506 HA VAL 89 HA VAL 89 -9.728 12.291 -7.761 507 HB VAL 89 HB VAL 89 -7.197 10.781 -8.427 508 1HG1 VAL 89 1HG1 VAL 89 -9.020 10.617 -6.163 509 2HG1 VAL 89 2HG1 VAL 89 -8.847 9.085 -7.021 510 3HG1 VAL 89 3HG1 VAL 89 -7.422 9.906 -6.384 511 1HG2 VAL 89 1HG2 VAL 89 -9.435 10.886 -9.917 512 2HG2 VAL 89 2HG2 VAL 89 -8.404 9.459 -9.806 513 3HG2 VAL 89 3HG2 VAL 89 -9.860 9.575 -8.817 514 H GLU 90 H GLU 90 -6.266 13.067 -7.935 515 HA GLU 90 HA GLU 90 -6.050 13.333 -5.072 516 1HB GLU 90 2HB GLU 90 -4.058 14.179 -7.179 517 2HB GLU 90 3HB GLU 90 -3.741 13.902 -5.472 518 1HG GLU 90 2HG GLU 90 -4.712 11.743 -7.319 519 2HG GLU 90 3HG GLU 90 -3.004 12.090 -7.057 520 H ALA 91 H ALA 91 -6.830 15.364 -7.731 521 HA ALA 91 HA ALA 91 -6.109 17.851 -6.509 522 1HB ALA 91 1HB ALA 91 -7.710 17.092 -8.924 523 2HB ALA 91 2HB ALA 91 -7.663 18.760 -8.352 524 3HB ALA 91 3HB ALA 91 -6.172 17.950 -8.831 525 H PHE 92 H PHE 92 -8.823 15.729 -6.342 526 HA PHE 92 HA PHE 92 -10.258 17.727 -4.721 527 1HB PHE 92 2HB PHE 92 -11.369 15.729 -6.691 528 2HB PHE 92 3HB PHE 92 -12.368 16.507 -5.467 529 HD1 PHE 92 HD1 PHE 92 -9.918 17.408 -8.131 530 HD2 PHE 92 HD2 PHE 92 -13.486 18.425 -6.045 531 HE1 PHE 92 HE1 PHE 92 -10.239 19.336 -9.626 532 HE2 PHE 92 HE2 PHE 92 -13.813 20.353 -7.537 533 HZ PHE 92 HZ PHE 92 -12.189 20.810 -9.331 534 H GLN 93 H GLN 93 -8.486 15.065 -4.492 535 HA GLN 93 HA GLN 93 -9.869 13.110 -3.156 536 1HB GLN 93 2HB GLN 93 -7.597 12.695 -3.626 537 2HB GLN 93 3HB GLN 93 -7.071 14.152 -2.793 538 1HG GLN 93 2HG GLN 93 -7.659 13.168 -0.654 539 2HG GLN 93 3HG GLN 93 -8.251 11.721 -1.469 540 1HE2 GLN 93 1HE2 GLN 93 -5.403 13.640 -0.766 541 2HE2 GLN 93 2HE2 GLN 93 -4.257 12.365 -0.985 542 HN2 GLY 94 H GLY 94 -8.853 16.246 -1.963 543 1HA GLY 94 2HA GLY 94 -10.385 15.709 0.500 544 2HA GLY 94 3HA GLY 94 -8.803 16.470 0.580 545 H TYR 95 H TYR 95 -11.856 16.889 -1.217 546 HA TYR 95 HA TYR 95 -11.775 19.738 -0.501 547 1HB TYR 95 2HB TYR 95 -10.970 19.594 -2.786 548 2HB TYR 95 3HB TYR 95 -12.350 18.602 -3.245 549 HD1 TYR 95 HD1 TYR 95 -14.622 19.617 -3.327 550 HD2 TYR 95 HD2 TYR 95 -11.131 21.966 -2.694 551 HE1 TYR 95 HE1 TYR 95 -15.883 21.642 -3.925 552 HE2 TYR 95 HE2 TYR 95 -12.383 23.998 -3.289 553 HH TYR 95 HH TYR 95 -15.828 23.977 -3.709 554 HA PRO 96 HA PRO 96 -15.930 18.968 0.773 555 1HB PRO 96 2HB PRO 96 -16.738 21.550 0.994 556 2HB PRO 96 3HB PRO 96 -15.666 20.775 2.166 557 1HG PRO 96 2HG PRO 96 -14.984 22.596 -0.110 558 2HG PRO 96 3HG PRO 96 -14.346 22.586 1.545 559 1HD PRO 96 2HD PRO 96 -12.998 21.511 -0.543 560 2HD PRO 96 3HD PRO 96 -12.884 20.860 1.105 561 H PHE 97 H PHE 97 -17.064 18.067 -0.892 562 HA PHE 97 HA PHE 97 -18.329 19.941 -2.770 563 1HB PHE 97 2HB PHE 97 -16.587 18.775 -4.005 564 2HB PHE 97 3HB PHE 97 -17.193 17.220 -3.445 565 HD1 PHE 97 HD1 PHE 97 -18.762 20.243 -4.978 566 HD2 PHE 97 HD2 PHE 97 -18.175 16.030 -5.134 567 HE1 PHE 97 HE1 PHE 97 -20.233 20.115 -6.946 568 HE2 PHE 97 HE2 PHE 97 -19.644 15.895 -7.103 569 HZ PHE 97 HZ PHE 97 -20.674 17.939 -8.012 570 H GLN 98 H GLN 98 -20.442 19.453 -3.380 571 HA GLN 98 HA GLN 98 -22.569 18.715 -3.052 572 1HB GLN 98 2HB GLN 98 -20.932 16.225 -2.892 573 2HB GLN 98 3HB GLN 98 -22.633 16.136 -2.454 574 1HG GLN 98 2HG GLN 98 -21.522 17.080 -5.087 575 2HG GLN 98 3HG GLN 98 -22.304 15.531 -4.774 576 1HE2 GLN 98 1HE2 GLN 98 -24.420 16.306 -3.215 577 2HE2 GLN 98 2HE2 GLN 98 -25.496 17.288 -4.145 578 HN2 GLY 99 H GLY 99 -20.926 19.691 -0.745 579 1HA GLY 99 2HA GLY 99 -22.395 20.094 1.295 580 2HA GLY 99 3HA GLY 99 -22.368 18.344 1.448 581 H ASN 100 H ASN 100 -19.925 17.518 1.232 582 HA ASN 100 HA ASN 100 -17.831 19.076 2.214 583 1HB ASN 100 2HB ASN 100 -19.733 18.260 4.238 584 2HB ASN 100 3HB ASN 100 -18.143 17.572 4.559 585 1HD2 ASN 100 1HD2 ASN 100 -16.310 19.161 4.358 586 2HD2 ASN 100 2HD2 ASN 100 -16.571 20.734 5.022 587 HA PRO 101 HA PRO 101 -16.684 14.425 2.798 588 1HB PRO 101 2HB PRO 101 -18.681 12.600 2.569 589 2HB PRO 101 3HB PRO 101 -18.247 13.362 4.104 590 1HG PRO 101 2HG PRO 101 -20.473 14.034 2.218 591 2HG PRO 101 3HG PRO 101 -20.498 13.936 3.989 592 1HD PRO 101 2HD PRO 101 -20.331 16.291 2.663 593 2HD PRO 101 3HD PRO 101 -19.567 16.029 4.244 594 H LEU 102 H LEU 102 -15.618 14.378 0.886 595 HA LEU 102 HA LEU 102 -17.098 13.363 -1.443 596 1HB LEU 102 2HB LEU 102 -16.802 15.654 -1.930 597 2HB LEU 102 3HB LEU 102 -15.142 15.641 -1.337 598 HG LEU 102 HG LEU 102 -14.570 14.153 -3.285 599 1HD1 LEU 102 1HD1 LEU 102 -17.448 14.590 -3.788 600 2HD1 LEU 102 2HD1 LEU 102 -16.417 13.218 -4.193 601 3HD1 LEU 102 3HD1 LEU 102 -16.377 14.675 -5.186 602 1HD2 LEU 102 1HD2 LEU 102 -15.332 16.358 -4.832 603 2HD2 LEU 102 2HD2 LEU 102 -13.789 16.097 -4.019 604 3HD2 LEU 102 3HD2 LEU 102 -15.079 16.980 -3.202 605 H VAL 103 H VAL 103 -16.256 11.544 -2.202 606 HA VAL 103 HA VAL 103 -13.406 10.989 -1.680 607 HB VAL 103 HB VAL 103 -14.977 9.545 -0.379 608 1HG1 VAL 103 1HG1 VAL 103 -16.632 8.354 -1.314 609 2HG1 VAL 103 2HG1 VAL 103 -16.451 9.467 -2.672 610 3HG1 VAL 103 3HG1 VAL 103 -15.648 7.896 -2.704 611 1HG2 VAL 103 1HG2 VAL 103 -13.606 7.727 -0.546 612 2HG2 VAL 103 2HG2 VAL 103 -13.619 7.738 -2.310 613 3HG2 VAL 103 3HG2 VAL 103 -12.633 8.905 -1.428 614 H ILE 104 H ILE 104 -12.161 10.354 -3.356 615 HA ILE 104 HA ILE 104 -13.462 9.661 -5.893 616 HB ILE 104 HB ILE 104 -11.391 11.037 -6.875 617 1HG1 ILE 104 2HG1 ILE 104 -10.932 11.687 -4.370 618 2HG1 ILE 104 3HG1 ILE 104 -10.745 12.887 -5.644 619 1HG2 ILE 104 1HG2 ILE 104 -14.141 11.982 -6.137 620 2HG2 ILE 104 2HG2 ILE 104 -13.029 12.997 -7.054 621 3HG2 ILE 104 3HG2 ILE 104 -13.540 11.439 -7.704 622 1HD1 ILE 104 1HD1 ILE 104 -12.576 14.069 -4.987 623 2HD1 ILE 104 2HD1 ILE 104 -13.381 12.657 -4.301 624 3HD1 ILE 104 3HD1 ILE 104 -12.051 13.422 -3.433 625 H THR 105 H THR 105 -12.647 7.859 -6.721 626 HA THR 105 HA THR 105 -9.816 7.237 -6.373 627 HB THR 105 HB THR 105 -10.369 4.871 -5.750 628 HG1 THR 105 HG1 THR 105 -12.399 4.303 -5.557 629 1HG2 THR 105 1HG2 THR 105 -9.725 6.749 -4.125 630 2HG2 THR 105 2HG2 THR 105 -10.472 5.304 -3.444 631 3HG2 THR 105 3HG2 THR 105 -11.428 6.767 -3.673 632 H PHE 106 H PHE 106 -9.217 5.249 -7.674 633 HA PHE 106 HA PHE 106 -10.266 5.567 -10.328 634 1HB PHE 106 2HB PHE 106 -8.253 3.546 -9.321 635 2HB PHE 106 3HB PHE 106 -8.534 4.003 -10.998 636 HD1 PHE 106 HD1 PHE 106 -6.877 4.845 -7.900 637 HD2 PHE 106 HD2 PHE 106 -7.890 6.259 -11.785 638 HE1 PHE 106 HE1 PHE 106 -5.176 6.611 -7.698 639 HE2 PHE 106 HE2 PHE 106 -6.189 8.026 -11.589 640 HZ PHE 106 HZ PHE 106 -4.829 8.203 -9.544 641 H SER 107 H SER 107 -10.202 3.102 -11.455 642 HA SER 107 HA SER 107 -11.927 1.312 -9.955 643 1HB SER 107 2HB SER 107 -13.079 3.230 -11.641 644 2HB SER 107 3HB SER 107 -13.110 1.729 -12.568 645 HG SER 107 HG SER 107 -14.807 1.318 -11.397 646 H GLU 108 H GLU 108 -12.705 -0.458 -11.754 647 HA GLU 108 HA GLU 108 -10.183 -1.386 -12.941 648 1HB GLU 108 2HB GLU 108 -12.653 -2.881 -12.058 649 2HB GLU 108 3HB GLU 108 -11.339 -3.631 -12.953 650 1HG GLU 108 2HG GLU 108 -9.803 -3.237 -11.174 651 2HG GLU 108 3HG GLU 108 -10.977 -2.246 -10.310 652 H THR 109 H THR 109 -9.979 -1.645 -15.077 653 HA THR 109 HA THR 109 -12.407 -1.574 -16.740 654 HB THR 109 HB THR 109 -10.971 -0.296 -18.439 655 HG1 THR 109 HG1 THR 109 -9.064 -0.661 -16.874 656 1HG2 THR 109 1HG2 THR 109 -11.272 1.871 -16.862 657 2HG2 THR 109 2HG2 THR 109 -12.292 0.719 -16.000 658 3HG2 THR 109 3HG2 THR 109 -12.609 1.081 -17.696 659 HA PRO 110 HA PRO 110 -9.668 -5.194 -17.798 660 1HB PRO 110 2HB PRO 110 -11.666 -7.031 -17.756 661 2HB PRO 110 3HB PRO 110 -10.751 -6.574 -16.315 662 1HG PRO 110 2HG PRO 110 -13.450 -5.646 -17.219 663 2HG PRO 110 3HG PRO 110 -12.910 -6.100 -15.592 664 1HD PRO 110 2HD PRO 110 -13.133 -3.521 -16.386 665 2HD PRO 110 3HD PRO 110 -11.909 -4.058 -15.217 666 H GLN 111 H GLN 111 -10.278 -6.935 -19.552 667 HA GLN 111 HA GLN 111 -12.185 -6.310 -21.527 668 1HB GLN 111 2HB GLN 111 -10.424 -4.405 -21.707 669 2HB GLN 111 3HB GLN 111 -9.415 -5.632 -22.462 670 1HG GLN 111 2HG GLN 111 -10.565 -5.579 -24.377 671 2HG GLN 111 3HG GLN 111 -12.121 -5.474 -23.555 672 1HE2 GLN 111 1HE2 GLN 111 -9.867 -3.840 -25.397 673 2HE2 GLN 111 2HE2 GLN 111 -10.464 -2.234 -25.185 674 H SER 112 H SER 112 -9.046 -7.725 -20.792 675 HA SER 112 HA SER 112 -9.231 -9.701 -22.877 676 1HB SER 112 2HB SER 112 -7.222 -8.777 -21.024 677 2HB SER 112 3HB SER 112 -7.322 -10.538 -20.981 678 HG SER 112 HG SER 112 -5.941 -10.074 -22.618 679 H GLN 113 H GLN 113 -10.146 -9.445 -19.543 680 HA GLN 113 HA GLN 113 -10.251 -12.082 -18.734 681 1HB GLN 113 2HB GLN 113 -11.914 -11.411 -17.131 682 2HB GLN 113 3HB GLN 113 -10.753 -10.102 -17.308 683 1HG GLN 113 2HG GLN 113 -12.588 -8.830 -17.458 684 2HG GLN 113 3HG GLN 113 -12.589 -9.367 -19.137 685 1HE2 GLN 113 1HE2 GLN 113 -14.205 -9.437 -16.129 686 2HE2 GLN 113 2HE2 GLN 113 -15.545 -10.415 -16.611 687 H VAL 114 H VAL 114 -12.338 -10.366 -20.939 688 HA VAL 114 HA VAL 114 -14.586 -11.977 -20.977 689 HB VAL 114 HB VAL 114 -14.975 -11.229 -23.251 690 1HG1 VAL 114 1HG1 VAL 114 -14.920 -8.844 -22.898 691 2HG1 VAL 114 2HG1 VAL 114 -15.304 -9.647 -21.375 692 3HG1 VAL 114 3HG1 VAL 114 -13.679 -9.021 -21.658 693 1HG2 VAL 114 1HG2 VAL 114 -13.033 -11.420 -24.458 694 2HG2 VAL 114 2HG2 VAL 114 -13.073 -9.677 -24.189 695 3HG2 VAL 114 3HG2 VAL 114 -12.043 -10.700 -23.188 696 H ALA 115 H ALA 115 -11.411 -12.569 -22.303 697 HA ALA 115 HA ALA 115 -11.940 -14.593 -24.123 698 1HB ALA 115 1HB ALA 115 -9.730 -13.511 -23.728 699 2HB ALA 115 2HB ALA 115 -9.559 -14.501 -22.278 700 3HB ALA 115 3HB ALA 115 -9.659 -15.268 -23.863 701 H GLU 116 H GLU 116 -11.852 -14.692 -20.624 702 HA GLU 116 HA GLU 116 -11.669 -17.446 -20.220 703 1HB GLU 116 2HB GLU 116 -11.782 -15.360 -18.560 704 2HB GLU 116 3HB GLU 116 -13.461 -15.867 -18.444 705 1HG GLU 116 2HG GLU 116 -12.397 -16.961 -16.689 706 2HG GLU 116 3HG GLU 116 -12.553 -18.191 -17.941 707 H ASP 117 H ASP 117 -14.369 -15.453 -21.178 708 HA ASP 117 HA ASP 117 -16.184 -17.751 -21.006 709 1HB ASP 117 2HB ASP 117 -16.619 -14.786 -21.243 710 2HB ASP 117 3HB ASP 117 -17.905 -15.919 -21.649 Start of MODEL 5 1 H THR 22 H THR 22 -1.863 1.376 1.505 2 HA THR 22 HA THR 22 -0.602 2.395 -0.718 3 HB THR 22 HB THR 22 0.670 0.116 -0.699 4 HG1 THR 22 HG1 THR 22 0.202 -1.218 0.939 5 1HG2 THR 22 1HG2 THR 22 2.147 1.238 0.548 6 2HG2 THR 22 2HG2 THR 22 1.077 1.221 1.950 7 3HG2 THR 22 3HG2 THR 22 0.916 2.486 0.732 8 HA PRO 23 HA PRO 23 -3.551 0.103 -3.482 9 1HB PRO 23 2HB PRO 23 -3.924 2.176 -5.194 10 2HB PRO 23 3HB PRO 23 -4.883 1.959 -3.725 11 1HG PRO 23 2HG PRO 23 -2.530 3.747 -4.204 12 2HG PRO 23 3HG PRO 23 -4.045 4.095 -3.349 13 1HD PRO 23 2HD PRO 23 -1.745 3.493 -2.052 14 2HD PRO 23 3HD PRO 23 -3.343 3.048 -1.419 15 HA PRO 24 HA PRO 24 0.162 -0.670 -5.935 16 1HB PRO 24 2HB PRO 24 -0.709 -3.048 -6.912 17 2HB PRO 24 3HB PRO 24 -0.012 -2.871 -5.298 18 1HG PRO 24 2HG PRO 24 -2.889 -3.016 -6.112 19 2HG PRO 24 3HG PRO 24 -2.071 -3.802 -4.749 20 1HD PRO 24 2HD PRO 24 -3.557 -1.557 -4.459 21 2HD PRO 24 3HD PRO 24 -2.137 -1.899 -3.450 22 H HIS 25 H HIS 25 0.549 0.002 -7.952 23 HA HIS 25 HA HIS 25 -1.721 0.160 -9.823 24 1HB HIS 25 2HB HIS 25 0.766 1.876 -9.673 25 2HB HIS 25 3HB HIS 25 -0.481 2.015 -10.909 26 HD1 HIS 25 HD1 HIS 25 0.340 4.264 -8.812 27 HD2 HIS 25 HD2 HIS 25 -2.975 1.770 -8.582 28 HE1 HIS 25 HE1 HIS 25 -1.315 5.478 -7.360 29 H THR 26 H THR 26 -1.456 -1.872 -10.745 30 HA THR 26 HA THR 26 1.092 -2.367 -12.128 31 HB THR 26 HB THR 26 -0.048 -4.713 -12.444 32 HG1 THR 26 HG1 THR 26 -1.290 -3.879 -10.027 33 1HG2 THR 26 1HG2 THR 26 1.016 -3.817 -9.762 34 2HG2 THR 26 2HG2 THR 26 1.998 -4.285 -11.150 35 3HG2 THR 26 3HG2 THR 26 0.965 -5.475 -10.359 36 H GLU 27 H GLU 27 -2.284 -1.765 -12.597 37 HA GLU 27 HA GLU 27 -1.878 -1.961 -15.506 38 1HB GLU 27 2HB GLU 27 -4.399 -2.522 -15.559 39 2HB GLU 27 3HB GLU 27 -3.266 -3.795 -15.124 40 1HG GLU 27 2HG GLU 27 -4.276 -2.243 -12.857 41 2HG GLU 27 3HG GLU 27 -5.504 -3.155 -13.732 42 HA PRO 28 HA PRO 28 -3.400 2.141 -15.815 43 1HB PRO 28 2HB PRO 28 -4.759 2.057 -18.164 44 2HB PRO 28 3HB PRO 28 -2.994 2.007 -18.072 45 1HG PRO 28 2HG PRO 28 -4.937 -0.244 -18.421 46 2HG PRO 28 3HG PRO 28 -3.395 0.041 -19.248 47 1HD PRO 28 2HD PRO 28 -3.646 -1.709 -17.198 48 2HD PRO 28 3HD PRO 28 -2.155 -0.792 -17.493 49 H SER 29 H SER 29 -5.376 3.470 -16.022 50 HA SER 29 HA SER 29 -7.934 2.177 -15.738 51 1HB SER 29 2HB SER 29 -7.280 3.924 -13.416 52 2HB SER 29 3HB SER 29 -8.367 2.539 -13.512 53 HG SER 29 HG SER 29 -5.705 2.641 -12.865 54 H GLN 30 H GLN 30 -8.942 3.389 -17.220 55 HA GLN 30 HA GLN 30 -8.527 6.278 -17.262 56 1HB GLN 30 2HB GLN 30 -10.260 4.695 -19.150 57 2HB GLN 30 3HB GLN 30 -9.535 6.277 -19.407 58 1HG GLN 30 2HG GLN 30 -7.291 5.121 -19.278 59 2HG GLN 30 3HG GLN 30 -8.178 3.601 -19.370 60 1HE2 GLN 30 1HE2 GLN 30 -10.159 4.255 -21.154 61 2HE2 GLN 30 2HE2 GLN 30 -9.459 4.574 -22.701 62 H VAL 31 H VAL 31 -10.149 4.681 -15.230 63 HA VAL 31 HA VAL 31 -12.502 6.429 -15.329 64 HB VAL 31 HB VAL 31 -14.003 4.663 -14.658 65 1HG1 VAL 31 1HG1 VAL 31 -12.762 3.225 -16.885 66 2HG1 VAL 31 2HG1 VAL 31 -14.361 3.961 -16.757 67 3HG1 VAL 31 3HG1 VAL 31 -12.961 4.955 -17.163 68 1HG2 VAL 31 1HG2 VAL 31 -13.028 3.043 -13.434 69 2HG2 VAL 31 2HG2 VAL 31 -12.819 2.252 -14.997 70 3HG2 VAL 31 3HG2 VAL 31 -11.492 3.174 -14.291 71 H VAL 32 H VAL 32 -13.354 7.003 -13.316 72 HA VAL 32 HA VAL 32 -11.763 6.181 -10.976 73 HB VAL 32 HB VAL 32 -11.795 8.403 -10.091 74 1HG1 VAL 32 1HG1 VAL 32 -10.489 9.624 -11.775 75 2HG1 VAL 32 2HG1 VAL 32 -10.000 7.932 -11.662 76 3HG1 VAL 32 3HG1 VAL 32 -11.011 8.472 -13.003 77 1HG2 VAL 32 1HG2 VAL 32 -13.881 8.799 -12.105 78 2HG2 VAL 32 2HG2 VAL 32 -13.639 9.596 -10.551 79 3HG2 VAL 32 3HG2 VAL 32 -12.744 10.139 -11.970 80 H LEU 33 H LEU 33 -12.870 5.762 -9.125 81 HA LEU 33 HA LEU 33 -15.800 5.885 -9.304 82 1HB LEU 33 2HB LEU 33 -15.333 3.678 -8.935 83 2HB LEU 33 3HB LEU 33 -13.879 4.030 -8.004 84 HG LEU 33 HG LEU 33 -15.224 4.599 -6.066 85 1HD1 LEU 33 1HD1 LEU 33 -17.337 5.232 -6.250 86 2HD1 LEU 33 2HD1 LEU 33 -17.779 3.638 -6.862 87 3HD1 LEU 33 3HD1 LEU 33 -17.282 4.906 -7.983 88 1HD2 LEU 33 1HD2 LEU 33 -16.272 2.360 -5.679 89 2HD2 LEU 33 2HD2 LEU 33 -14.595 2.305 -6.225 90 3HD2 LEU 33 3HD2 LEU 33 -15.904 1.965 -7.358 91 H ILE 34 H ILE 34 -16.834 7.328 -8.107 92 HA ILE 34 HA ILE 34 -15.444 8.477 -5.779 93 HB ILE 34 HB ILE 34 -16.906 10.440 -6.045 94 1HG1 ILE 34 2HG1 ILE 34 -18.530 8.795 -7.494 95 2HG1 ILE 34 3HG1 ILE 34 -18.633 10.552 -7.500 96 1HG2 ILE 34 1HG2 ILE 34 -15.898 11.265 -8.184 97 2HG2 ILE 34 2HG2 ILE 34 -14.748 10.569 -7.044 98 3HG2 ILE 34 3HG2 ILE 34 -15.275 9.636 -8.444 99 1HD1 ILE 34 1HD1 ILE 34 -18.650 9.484 -9.750 100 2HD1 ILE 34 2HD1 ILE 34 -17.384 10.690 -9.518 101 3HD1 ILE 34 3HD1 ILE 34 -16.988 8.973 -9.457 102 H THR 35 H THR 35 -16.558 8.778 -3.844 103 HA THR 35 HA THR 35 -19.264 7.692 -3.632 104 HB THR 35 HB THR 35 -18.726 6.259 -1.758 105 HG1 THR 35 HG1 THR 35 -16.863 6.396 -0.749 106 1HG2 THR 35 1HG2 THR 35 -18.545 5.277 -3.996 107 2HG2 THR 35 2HG2 THR 35 -17.384 4.549 -2.886 108 3HG2 THR 35 3HG2 THR 35 -16.846 5.743 -4.067 109 H ASN 36 H ASN 36 -19.724 7.779 -1.013 110 HA ASN 36 HA ASN 36 -20.169 9.135 0.759 111 1HB ASN 36 2HB ASN 36 -17.494 9.385 0.426 112 2HB ASN 36 3HB ASN 36 -17.993 11.057 0.189 113 1HD2 ASN 36 1HD2 ASN 36 -16.523 9.609 2.369 114 2HD2 ASN 36 2HD2 ASN 36 -17.352 10.057 3.817 115 H ILE 37 H ILE 37 -21.218 9.673 -1.929 116 HA ILE 37 HA ILE 37 -21.563 12.585 -1.864 117 HB ILE 37 HB ILE 37 -22.666 12.260 -4.093 118 1HG1 ILE 37 2HG1 ILE 37 -21.520 9.469 -3.910 119 2HG1 ILE 37 3HG1 ILE 37 -23.226 9.842 -3.685 120 1HG2 ILE 37 1HG2 ILE 37 -20.388 12.995 -4.004 121 2HG2 ILE 37 2HG2 ILE 37 -19.816 11.347 -3.747 122 3HG2 ILE 37 3HG2 ILE 37 -20.533 11.801 -5.294 123 1HD1 ILE 37 1HD1 ILE 37 -23.359 9.386 -5.869 124 2HD1 ILE 37 2HD1 ILE 37 -22.748 11.029 -6.068 125 3HD1 ILE 37 3HD1 ILE 37 -21.638 9.660 -6.137 126 H ASN 38 H ASN 38 -23.493 13.539 -1.471 127 HA ASN 38 HA ASN 38 -25.552 11.934 -0.259 128 1HB ASN 38 2HB ASN 38 -24.727 14.657 -0.157 129 2HB ASN 38 3HB ASN 38 -26.418 14.628 -0.650 130 1HD2 ASN 38 1HD2 ASN 38 -27.441 15.239 1.145 131 2HD2 ASN 38 2HD2 ASN 38 -27.325 14.441 2.673 132 HA PRO 39 HA PRO 39 -27.819 11.348 -4.036 133 1HB PRO 39 2HB PRO 39 -29.976 10.150 -2.903 134 2HB PRO 39 3HB PRO 39 -28.439 9.316 -3.160 135 1HG PRO 39 2HG PRO 39 -29.518 10.573 -0.667 136 2HG PRO 39 3HG PRO 39 -28.681 9.023 -0.866 137 1HD PRO 39 2HD PRO 39 -27.432 11.247 0.043 138 2HD PRO 39 3HD PRO 39 -26.599 10.011 -0.922 139 H GLU 40 H GLU 40 -28.564 13.405 -1.469 140 HA GLU 40 HA GLU 40 -31.175 14.190 -1.864 141 1HB GLU 40 2HB GLU 40 -28.744 15.444 -0.781 142 2HB GLU 40 3HB GLU 40 -29.958 16.582 -1.350 143 1HG GLU 40 2HG GLU 40 -31.615 15.254 0.060 144 2HG GLU 40 3HG GLU 40 -30.199 14.519 0.808 145 H VAL 41 H VAL 41 -28.383 14.809 -3.846 146 HA VAL 41 HA VAL 41 -29.830 16.742 -5.489 147 HB VAL 41 HB VAL 41 -27.512 17.271 -4.985 148 1HG1 VAL 41 1HG1 VAL 41 -26.644 15.030 -4.665 149 2HG1 VAL 41 2HG1 VAL 41 -26.858 14.678 -6.381 150 3HG1 VAL 41 3HG1 VAL 41 -25.680 15.887 -5.868 151 1HG2 VAL 41 1HG2 VAL 41 -26.666 17.530 -7.321 152 2HG2 VAL 41 2HG2 VAL 41 -28.019 16.537 -7.865 153 3HG2 VAL 41 3HG2 VAL 41 -28.322 18.089 -7.084 154 HA PRO 42 HA PRO 42 -31.129 13.628 -8.348 155 1HB PRO 42 2HB PRO 42 -31.851 15.288 -10.371 156 2HB PRO 42 3HB PRO 42 -32.820 15.080 -8.908 157 1HG PRO 42 2HG PRO 42 -30.893 17.261 -9.608 158 2HG PRO 42 3HG PRO 42 -32.493 17.381 -8.852 159 1HD PRO 42 2HD PRO 42 -30.194 17.511 -7.427 160 2HD PRO 42 3HD PRO 42 -31.689 16.816 -6.768 161 H LYS 43 H LYS 43 -30.179 12.459 -9.927 162 HA LYS 43 HA LYS 43 -27.560 12.756 -10.663 163 1HB LYS 43 2HB LYS 43 -28.605 10.669 -11.069 164 2HB LYS 43 3HB LYS 43 -29.846 11.398 -12.080 165 1HG LYS 43 2HG LYS 43 -27.175 11.866 -13.110 166 2HG LYS 43 3HG LYS 43 -27.547 10.148 -12.947 167 1HD LYS 43 2HD LYS 43 -29.778 11.615 -14.063 168 2HD LYS 43 3HD LYS 43 -28.313 11.840 -15.023 169 1HE LYS 43 2HE LYS 43 -29.048 9.923 -15.989 170 2HE LYS 43 3HE LYS 43 -28.156 9.205 -14.648 171 1HZ LYS 43 1HZ LYS 43 -30.584 8.479 -15.134 172 2HZ LYS 43 2HZ LYS 43 -30.992 9.885 -14.288 173 3HZ LYS 43 3HZ LYS 43 -30.073 8.681 -13.534 174 H GLU 44 H GLU 44 -30.390 14.186 -12.160 175 HA GLU 44 HA GLU 44 -29.395 15.015 -14.590 176 1HB GLU 44 2HB GLU 44 -31.503 15.946 -12.757 177 2HB GLU 44 3HB GLU 44 -30.909 17.167 -13.873 178 1HG GLU 44 2HG GLU 44 -31.372 15.632 -15.747 179 2HG GLU 44 3HG GLU 44 -32.051 14.480 -14.600 180 H LYS 45 H LYS 45 -29.315 16.873 -11.547 181 HA LYS 45 HA LYS 45 -27.474 18.791 -12.689 182 1HB LYS 45 2HB LYS 45 -28.603 18.511 -9.898 183 2HB LYS 45 3HB LYS 45 -27.575 19.836 -10.429 184 1HG LYS 45 2HG LYS 45 -29.239 20.561 -12.008 185 2HG LYS 45 3HG LYS 45 -30.248 19.161 -11.639 186 1HD LYS 45 2HD LYS 45 -29.615 20.528 -9.210 187 2HD LYS 45 3HD LYS 45 -30.243 21.690 -10.381 188 1HE LYS 45 2HE LYS 45 -31.985 19.668 -10.737 189 2HE LYS 45 3HE LYS 45 -31.581 19.428 -9.038 190 1HZ LYS 45 1HZ LYS 45 -33.515 20.995 -9.689 191 2HZ LYS 45 2HZ LYS 45 -32.287 22.117 -9.998 192 3HZ LYS 45 3HZ LYS 45 -32.457 21.454 -8.451 193 H LEU 46 H LEU 46 -27.402 16.254 -10.218 194 HA LEU 46 HA LEU 46 -24.856 16.619 -9.215 195 1HB LEU 46 2HB LEU 46 -25.723 14.942 -8.031 196 2HB LEU 46 3HB LEU 46 -26.789 14.457 -9.348 197 HG LEU 46 HG LEU 46 -24.879 13.208 -10.348 198 1HD1 LEU 46 1HD1 LEU 46 -23.164 12.736 -8.301 199 2HD1 LEU 46 2HD1 LEU 46 -23.498 14.453 -8.079 200 3HD1 LEU 46 3HD1 LEU 46 -22.864 13.870 -9.618 201 1HD2 LEU 46 1HD2 LEU 46 -26.279 11.765 -9.264 202 2HD2 LEU 46 2HD2 LEU 46 -26.092 12.573 -7.707 203 3HD2 LEU 46 3HD2 LEU 46 -24.811 11.524 -8.317 204 H GLN 47 H GLN 47 -25.830 14.694 -12.041 205 HA GLN 47 HA GLN 47 -23.238 13.824 -12.723 206 1HB GLN 47 2HB GLN 47 -25.309 12.776 -13.570 207 2HB GLN 47 3HB GLN 47 -25.629 14.213 -14.532 208 1HG GLN 47 2HG GLN 47 -23.163 13.637 -15.403 209 2HG GLN 47 3HG GLN 47 -23.712 12.018 -14.974 210 1HE2 GLN 47 1HE2 GLN 47 -26.330 12.062 -15.612 211 2HE2 GLN 47 2HE2 GLN 47 -26.538 12.319 -17.308 212 H ALA 48 H ALA 48 -25.200 16.526 -13.948 213 HA ALA 48 HA ALA 48 -23.413 17.503 -15.841 214 1HB ALA 48 1HB ALA 48 -24.566 19.702 -15.477 215 2HB ALA 48 2HB ALA 48 -25.639 18.340 -15.802 216 3HB ALA 48 3HB ALA 48 -25.452 18.941 -14.155 217 H LEU 49 H LEU 49 -23.482 17.926 -12.361 218 HA LEU 49 HA LEU 49 -21.557 20.027 -12.273 219 1HB LEU 49 2HB LEU 49 -23.187 18.598 -10.434 220 2HB LEU 49 3HB LEU 49 -21.522 18.530 -9.860 221 HG LEU 49 HG LEU 49 -22.569 20.388 -8.811 222 1HD1 LEU 49 1HD1 LEU 49 -20.885 21.828 -9.140 223 2HD1 LEU 49 2HD1 LEU 49 -21.203 21.963 -10.869 224 3HD1 LEU 49 3HD1 LEU 49 -20.272 20.600 -10.248 225 1HD2 LEU 49 1HD2 LEU 49 -24.286 21.428 -9.750 226 2HD2 LEU 49 2HD2 LEU 49 -23.989 20.584 -11.269 227 3HD2 LEU 49 3HD2 LEU 49 -23.201 22.129 -10.950 228 H LEU 50 H LEU 50 -21.371 16.529 -11.642 229 HA LEU 50 HA LEU 50 -18.672 16.363 -11.028 230 1HB LEU 50 2HB LEU 50 -20.472 14.396 -12.427 231 2HB LEU 50 3HB LEU 50 -18.839 14.010 -11.886 232 HG LEU 50 HG LEU 50 -21.162 14.782 -10.120 233 1HD1 LEU 50 1HD1 LEU 50 -21.167 12.489 -11.206 234 2HD1 LEU 50 2HD1 LEU 50 -21.252 12.531 -9.445 235 3HD1 LEU 50 3HD1 LEU 50 -19.729 12.144 -10.244 236 1HD2 LEU 50 1HD2 LEU 50 -18.306 14.069 -9.472 237 2HD2 LEU 50 2HD2 LEU 50 -19.609 14.137 -8.285 238 3HD2 LEU 50 3HD2 LEU 50 -19.126 15.597 -9.150 239 H TYR 51 H TYR 51 -20.247 16.718 -14.116 240 HA TYR 51 HA TYR 51 -17.985 16.009 -15.708 241 1HB TYR 51 2HB TYR 51 -20.436 16.016 -16.429 242 2HB TYR 51 3HB TYR 51 -20.276 17.762 -16.586 243 HD1 TYR 51 HD1 TYR 51 -18.135 18.503 -18.015 244 HD2 TYR 51 HD2 TYR 51 -20.116 14.750 -18.326 245 HE1 TYR 51 HE1 TYR 51 -17.230 18.220 -20.285 246 HE2 TYR 51 HE2 TYR 51 -19.216 14.457 -20.596 247 HH TYR 51 HH TYR 51 -18.230 15.563 -22.343 248 H ALA 52 H ALA 52 -19.432 19.097 -14.714 249 HA ALA 52 HA ALA 52 -17.792 20.858 -16.057 250 1HB ALA 52 1HB ALA 52 -18.155 22.276 -13.854 251 2HB ALA 52 2HB ALA 52 -19.477 21.951 -14.976 252 3HB ALA 52 3HB ALA 52 -19.310 20.989 -13.507 253 H LEU 53 H LEU 53 -17.270 19.571 -12.771 254 HA LEU 53 HA LEU 53 -14.745 20.757 -12.400 255 1HB LEU 53 2HB LEU 53 -15.686 18.189 -11.147 256 2HB LEU 53 3HB LEU 53 -14.507 19.331 -10.506 257 HG LEU 53 HG LEU 53 -17.438 19.948 -10.855 258 1HD1 LEU 53 1HD1 LEU 53 -15.916 18.737 -8.593 259 2HD1 LEU 53 2HD1 LEU 53 -17.523 18.348 -9.205 260 3HD1 LEU 53 3HD1 LEU 53 -17.273 19.813 -8.256 261 1HD2 LEU 53 1HD2 LEU 53 -16.510 22.014 -10.712 262 2HD2 LEU 53 2HD2 LEU 53 -15.067 21.433 -9.881 263 3HD2 LEU 53 3HD2 LEU 53 -16.574 21.643 -8.989 264 H ALA 54 H ALA 54 -15.723 17.641 -13.727 265 HA ALA 54 HA ALA 54 -13.193 16.446 -13.883 266 1HB ALA 54 1HB ALA 54 -15.589 16.055 -15.673 267 2HB ALA 54 2HB ALA 54 -14.190 14.984 -15.586 268 3HB ALA 54 3HB ALA 54 -15.241 15.177 -14.183 269 H SER 55 H SER 55 -15.004 18.237 -16.379 270 HA SER 55 HA SER 55 -13.052 18.147 -18.368 271 1HB SER 55 2HB SER 55 -14.961 18.955 -19.300 272 2HB SER 55 3HB SER 55 -15.456 19.775 -17.820 273 HG SER 55 HG SER 55 -14.949 21.364 -19.252 274 H SER 56 H SER 56 -13.377 20.224 -15.580 275 HA SER 56 HA SER 56 -11.653 22.296 -16.310 276 1HB SER 56 2HB SER 56 -13.137 21.695 -14.083 277 2HB SER 56 3HB SER 56 -11.489 21.498 -13.484 278 HG SER 56 HG SER 56 -11.430 23.585 -13.380 279 H GLN 57 H GLN 57 -10.995 19.025 -15.483 280 HA GLN 57 HA GLN 57 -8.120 19.625 -15.273 281 1HB GLN 57 2HB GLN 57 -9.693 17.261 -14.242 282 2HB GLN 57 3HB GLN 57 -7.939 17.374 -14.197 283 1HG GLN 57 2HG GLN 57 -9.605 19.514 -12.953 284 2HG GLN 57 3HG GLN 57 -9.331 17.994 -12.103 285 1HE2 GLN 57 1HE2 GLN 57 -6.798 17.371 -12.616 286 2HE2 GLN 57 2HE2 GLN 57 -5.720 18.593 -12.042 287 HN2 GLY 58 H GLY 58 -9.926 16.678 -16.119 288 1HA GLY 58 2HA GLY 58 -8.351 16.573 -18.619 289 2HA GLY 58 3HA GLY 58 -8.746 15.147 -17.671 290 H ASP 59 H ASP 59 -9.391 14.932 -20.201 291 HA ASP 59 HA ASP 59 -12.030 15.930 -20.779 292 1HB ASP 59 2HB ASP 59 -9.927 14.476 -22.212 293 2HB ASP 59 3HB ASP 59 -11.553 13.934 -22.616 294 H ILE 60 H ILE 60 -13.945 14.801 -20.800 295 HA ILE 60 HA ILE 60 -13.926 12.276 -19.295 296 HB ILE 60 HB ILE 60 -16.232 14.174 -19.750 297 1HG1 ILE 60 2HG1 ILE 60 -15.736 14.238 -17.080 298 2HG1 ILE 60 3HG1 ILE 60 -14.102 14.041 -17.705 299 1HG2 ILE 60 1HG2 ILE 60 -16.596 12.477 -17.508 300 2HG2 ILE 60 2HG2 ILE 60 -17.537 12.547 -18.997 301 3HG2 ILE 60 3HG2 ILE 60 -16.144 11.471 -18.884 302 1HD1 ILE 60 1HD1 ILE 60 -15.251 16.022 -19.287 303 2HD1 ILE 60 2HD1 ILE 60 -15.766 16.378 -17.638 304 3HD1 ILE 60 3HD1 ILE 60 -14.049 16.228 -18.013 305 H LEU 61 H LEU 61 -14.708 10.439 -20.155 306 HA LEU 61 HA LEU 61 -15.616 10.544 -22.940 307 1HB LEU 61 2HB LEU 61 -14.933 8.029 -21.472 308 2HB LEU 61 3HB LEU 61 -14.859 8.362 -23.201 309 HG LEU 61 HG LEU 61 -12.939 9.308 -21.078 310 1HD1 LEU 61 1HD1 LEU 61 -12.930 7.187 -23.147 311 2HD1 LEU 61 2HD1 LEU 61 -12.201 7.211 -21.542 312 3HD1 LEU 61 3HD1 LEU 61 -11.427 8.068 -22.874 313 1HD2 LEU 61 1HD2 LEU 61 -13.437 10.243 -23.843 314 2HD2 LEU 61 2HD2 LEU 61 -11.755 10.034 -23.354 315 3HD2 LEU 61 3HD2 LEU 61 -12.811 11.115 -22.444 316 H ASP 62 H ASP 62 -16.642 9.724 -19.735 317 HA ASP 62 HA ASP 62 -19.361 9.721 -20.358 318 1HB ASP 62 2HB ASP 62 -18.185 7.337 -21.170 319 2HB ASP 62 3HB ASP 62 -18.918 6.940 -19.618 320 H ILE 63 H ILE 63 -20.333 10.263 -18.523 321 HA ILE 63 HA ILE 63 -19.021 9.563 -15.988 322 HB ILE 63 HB ILE 63 -21.063 11.725 -16.517 323 1HG1 ILE 63 2HG1 ILE 63 -18.066 11.888 -16.130 324 2HG1 ILE 63 3HG1 ILE 63 -18.941 12.220 -17.621 325 1HG2 ILE 63 1HG2 ILE 63 -20.567 12.499 -14.284 326 2HG2 ILE 63 2HG2 ILE 63 -21.083 10.815 -14.224 327 3HG2 ILE 63 3HG2 ILE 63 -19.373 11.218 -14.073 328 1HD1 ILE 63 1HD1 ILE 63 -20.132 14.051 -16.335 329 2HD1 ILE 63 2HD1 ILE 63 -18.909 13.817 -15.086 330 3HD1 ILE 63 3HD1 ILE 63 -18.428 14.312 -16.708 331 H VAL 64 H VAL 64 -19.877 7.856 -15.009 332 HA VAL 64 HA VAL 64 -22.721 7.255 -15.363 333 HB VAL 64 HB VAL 64 -20.585 5.562 -14.061 334 1HG1 VAL 64 1HG1 VAL 64 -22.541 3.876 -14.922 335 2HG1 VAL 64 2HG1 VAL 64 -22.398 4.497 -13.276 336 3HG1 VAL 64 3HG1 VAL 64 -23.480 5.284 -14.426 337 1HG2 VAL 64 1HG2 VAL 64 -20.969 4.227 -16.262 338 2HG2 VAL 64 2HG2 VAL 64 -21.533 5.776 -16.888 339 3HG2 VAL 64 3HG2 VAL 64 -19.891 5.623 -16.266 340 H VAL 65 H VAL 65 -24.125 6.951 -13.627 341 HA VAL 65 HA VAL 65 -23.165 7.627 -10.949 342 HB VAL 65 HB VAL 65 -25.559 9.016 -12.153 343 1HG1 VAL 65 1HG1 VAL 65 -24.350 10.254 -9.847 344 2HG1 VAL 65 2HG1 VAL 65 -26.016 9.725 -10.095 345 3HG1 VAL 65 3HG1 VAL 65 -24.806 8.586 -9.502 346 1HG2 VAL 65 1HG2 VAL 65 -22.711 9.924 -11.848 347 2HG2 VAL 65 2HG2 VAL 65 -23.721 9.944 -13.293 348 3HG2 VAL 65 3HG2 VAL 65 -24.052 11.062 -11.970 349 H ASP 66 H ASP 66 -24.167 6.514 -9.368 350 HA ASP 66 HA ASP 66 -25.805 4.317 -9.996 351 1HB ASP 66 2HB ASP 66 -24.320 5.028 -7.835 352 2HB ASP 66 3HB ASP 66 -25.945 5.327 -7.225 353 H LEU 67 H LEU 67 -27.780 4.310 -8.019 354 HA LEU 67 HA LEU 67 -29.750 6.059 -9.278 355 1HB LEU 67 2HB LEU 67 -31.362 4.645 -7.920 356 2HB LEU 67 3HB LEU 67 -30.490 3.844 -9.224 357 HG LEU 67 HG LEU 67 -30.782 2.620 -6.972 358 1HD1 LEU 67 1HD1 LEU 67 -28.002 2.297 -7.376 359 2HD1 LEU 67 2HD1 LEU 67 -28.735 2.631 -8.945 360 3HD1 LEU 67 3HD1 LEU 67 -29.322 1.287 -7.967 361 1HD2 LEU 67 1HD2 LEU 67 -28.417 4.356 -6.280 362 2HD2 LEU 67 2HD2 LEU 67 -29.122 3.074 -5.295 363 3HD2 LEU 67 3HD2 LEU 67 -30.034 4.552 -5.605 364 H SER 68 H SER 68 -27.729 6.966 -7.270 365 HA SER 68 HA SER 68 -27.582 8.241 -5.382 366 1HB SER 68 2HB SER 68 -29.184 10.026 -5.235 367 2HB SER 68 3HB SER 68 -28.944 9.672 -6.946 368 HG SER 68 HG SER 68 -31.214 9.726 -5.665 369 H ASP 69 H ASP 69 -27.931 5.869 -4.459 370 HA ASP 69 HA ASP 69 -30.349 5.476 -2.970 371 1HB ASP 69 2HB ASP 69 -28.131 3.896 -3.722 372 2HB ASP 69 3HB ASP 69 -28.166 3.899 -1.961 373 H ASP 70 H ASP 70 -30.654 5.618 -0.747 374 HA ASP 70 HA ASP 70 -29.178 7.707 0.549 375 1HB ASP 70 2HB ASP 70 -31.581 6.064 1.191 376 2HB ASP 70 3HB ASP 70 -30.740 6.849 2.525 377 H ASN 71 H ASN 71 -28.577 4.481 0.152 378 HA ASN 71 HA ASN 71 -27.031 4.348 2.658 379 1HB ASN 71 2HB ASN 71 -28.735 2.339 1.296 380 2HB ASN 71 3HB ASN 71 -27.225 1.745 1.980 381 1HD2 ASN 71 1HD2 ASN 71 -30.175 3.510 2.730 382 2HD2 ASN 71 2HD2 ASN 71 -30.220 3.085 4.404 383 H SER 72 H SER 72 -26.876 4.548 -0.676 384 HA SER 72 HA SER 72 -24.142 3.444 -0.698 385 1HB SER 72 2HB SER 72 -26.385 3.009 -2.495 386 2HB SER 72 3HB SER 72 -24.969 3.608 -3.358 387 HG SER 72 HG SER 72 -25.025 1.377 -1.602 388 HN2 GLY 73 H GLY 73 -25.993 5.562 -2.885 389 1HA GLY 73 2HA GLY 73 -25.424 7.561 -3.867 390 2HA GLY 73 3HA GLY 73 -24.841 7.991 -2.266 391 H LYS 74 H LYS 74 -23.956 6.734 -5.406 392 HA LYS 74 HA LYS 74 -21.256 7.712 -5.036 393 1HB LYS 74 2HB LYS 74 -20.178 5.607 -5.652 394 2HB LYS 74 3HB LYS 74 -21.100 5.425 -4.165 395 1HG LYS 74 2HG LYS 74 -22.910 4.723 -6.117 396 2HG LYS 74 3HG LYS 74 -21.385 4.067 -6.715 397 1HD LYS 74 2HD LYS 74 -21.852 3.622 -3.856 398 2HD LYS 74 3HD LYS 74 -23.026 2.835 -4.914 399 1HE LYS 74 2HE LYS 74 -20.994 1.995 -6.226 400 2HE LYS 74 3HE LYS 74 -20.045 2.482 -4.823 401 1HZ LYS 74 1HZ LYS 74 -20.904 0.832 -3.550 402 2HZ LYS 74 2HZ LYS 74 -21.041 0.072 -5.055 403 3HZ LYS 74 3HZ LYS 74 -22.393 0.807 -4.353 404 H ALA 75 H ALA 75 -19.962 7.055 -7.169 405 HA ALA 75 HA ALA 75 -21.485 6.787 -9.557 406 1HB ALA 75 1HB ALA 75 -20.704 9.163 -10.354 407 2HB ALA 75 2HB ALA 75 -22.213 8.958 -9.463 408 3HB ALA 75 3HB ALA 75 -20.767 9.524 -8.628 409 H TYR 76 H TYR 76 -19.996 7.575 -11.505 410 HA TYR 76 HA TYR 76 -17.174 7.130 -10.914 411 1HB TYR 76 2HB TYR 76 -18.423 5.502 -13.103 412 2HB TYR 76 3HB TYR 76 -16.905 5.237 -12.251 413 HD1 TYR 76 HD1 TYR 76 -16.837 4.008 -10.197 414 HD2 TYR 76 HD2 TYR 76 -20.568 4.908 -12.032 415 HE1 TYR 76 HE1 TYR 76 -17.954 2.414 -8.694 416 HE2 TYR 76 HE2 TYR 76 -21.696 3.317 -10.533 417 HH TYR 76 HH TYR 76 -20.102 1.017 -8.761 418 H ILE 77 H ILE 77 -15.940 8.447 -12.081 419 HA ILE 77 HA ILE 77 -17.131 9.731 -14.447 420 HB ILE 77 HB ILE 77 -14.801 10.752 -12.826 421 1HG1 ILE 77 2HG1 ILE 77 -17.728 11.499 -12.650 422 2HG1 ILE 77 3HG1 ILE 77 -16.798 10.661 -11.413 423 1HG2 ILE 77 1HG2 ILE 77 -14.790 12.583 -14.163 424 2HG2 ILE 77 2HG2 ILE 77 -15.449 11.432 -15.324 425 3HG2 ILE 77 3HG2 ILE 77 -16.529 12.520 -14.451 426 1HD1 ILE 77 1HD1 ILE 77 -15.290 12.831 -11.626 427 2HD1 ILE 77 2HD1 ILE 77 -16.824 13.520 -12.160 428 3HD1 ILE 77 3HD1 ILE 77 -16.704 12.758 -10.574 429 H VAL 78 H VAL 78 -16.489 8.667 -16.218 430 HA VAL 78 HA VAL 78 -13.886 7.436 -16.399 431 HB VAL 78 HB VAL 78 -15.912 7.780 -18.610 432 1HG1 VAL 78 1HG1 VAL 78 -14.510 6.615 -19.881 433 2HG1 VAL 78 2HG1 VAL 78 -13.301 6.780 -18.606 434 3HG1 VAL 78 3HG1 VAL 78 -14.351 5.362 -18.651 435 1HG2 VAL 78 1HG2 VAL 78 -16.769 5.586 -18.015 436 2HG2 VAL 78 2HG2 VAL 78 -15.644 5.491 -16.661 437 3HG2 VAL 78 3HG2 VAL 78 -16.933 6.694 -16.653 438 H PHE 79 H PHE 79 -12.096 8.356 -17.145 439 HA PHE 79 HA PHE 79 -12.337 10.898 -18.607 440 1HB PHE 79 2HB PHE 79 -10.210 9.817 -16.771 441 2HB PHE 79 3HB PHE 79 -9.879 11.148 -17.875 442 HD1 PHE 79 HD1 PHE 79 -11.030 13.301 -17.602 443 HD2 PHE 79 HD2 PHE 79 -11.517 10.128 -14.806 444 HE1 PHE 79 HE1 PHE 79 -11.951 14.890 -15.965 445 HE2 PHE 79 HE2 PHE 79 -12.440 11.712 -13.165 446 HZ PHE 79 HZ PHE 79 -12.658 14.096 -13.743 447 H ALA 80 H ALA 80 -10.164 11.268 -19.928 448 HA ALA 80 HA ALA 80 -10.253 9.490 -22.103 449 1HB ALA 80 1HB ALA 80 -7.897 11.266 -21.606 450 2HB ALA 80 2HB ALA 80 -8.693 10.861 -23.128 451 3HB ALA 80 3HB ALA 80 -9.474 11.957 -21.989 452 H THR 81 H THR 81 -7.913 9.846 -19.463 453 HA THR 81 HA THR 81 -7.172 7.083 -19.643 454 HB THR 81 HB THR 81 -4.702 8.609 -19.867 455 HG1 THR 81 HG1 THR 81 -4.973 9.003 -22.140 456 1HG2 THR 81 1HG2 THR 81 -3.987 6.668 -20.729 457 2HG2 THR 81 2HG2 THR 81 -5.292 6.621 -21.915 458 3HG2 THR 81 3HG2 THR 81 -5.565 6.023 -20.279 459 H GLN 82 H GLN 82 -5.358 6.586 -18.057 460 HA GLN 82 HA GLN 82 -6.037 7.426 -15.515 461 1HB GLN 82 2HB GLN 82 -4.425 5.504 -16.464 462 2HB GLN 82 3HB GLN 82 -3.203 6.661 -15.955 463 1HG GLN 82 2HG GLN 82 -5.282 6.220 -13.961 464 2HG GLN 82 3HG GLN 82 -4.374 4.766 -14.371 465 1HE2 GLN 82 1HE2 GLN 82 -3.412 4.697 -12.341 466 2HE2 GLN 82 2HE2 GLN 82 -2.165 5.799 -11.877 467 H GLU 83 H GLU 83 -3.872 8.889 -17.814 468 HA GLU 83 HA GLU 83 -2.367 10.521 -16.120 469 1HB GLU 83 2HB GLU 83 -3.026 10.450 -18.981 470 2HB GLU 83 3HB GLU 83 -2.665 12.059 -18.371 471 1HG GLU 83 2HG GLU 83 -0.516 11.325 -17.570 472 2HG GLU 83 3HG GLU 83 -0.878 9.662 -18.029 473 H SER 84 H SER 84 -5.409 11.245 -17.824 474 HA SER 84 HA SER 84 -5.696 13.815 -16.615 475 1HB SER 84 2HB SER 84 -7.221 12.140 -18.496 476 2HB SER 84 3HB SER 84 -8.212 13.186 -17.480 477 HG SER 84 HG SER 84 -6.721 13.836 -19.607 478 H ALA 85 H ALA 85 -7.200 10.647 -16.073 479 HA ALA 85 HA ALA 85 -9.033 11.324 -14.117 480 1HB ALA 85 1HB ALA 85 -8.024 8.957 -15.215 481 2HB ALA 85 2HB ALA 85 -7.803 8.808 -13.471 482 3HB ALA 85 3HB ALA 85 -9.405 9.136 -14.132 483 H GLN 86 H GLN 86 -5.704 10.148 -13.585 484 HA GLN 86 HA GLN 86 -5.667 10.436 -10.817 485 1HB GLN 86 2HB GLN 86 -3.933 9.201 -11.939 486 2HB GLN 86 3HB GLN 86 -3.424 10.630 -12.829 487 1HG GLN 86 2HG GLN 86 -3.327 11.174 -10.026 488 2HG GLN 86 3HG GLN 86 -2.458 9.679 -10.370 489 1HE2 GLN 86 1HE2 GLN 86 -2.299 13.020 -10.338 490 2HE2 GLN 86 2HE2 GLN 86 -0.834 13.221 -11.230 491 H ALA 87 H ALA 87 -5.150 12.794 -13.356 492 HA ALA 87 HA ALA 87 -4.036 14.842 -11.763 493 1HB ALA 87 1HB ALA 87 -3.948 14.788 -14.235 494 2HB ALA 87 2HB ALA 87 -5.673 15.155 -14.276 495 3HB ALA 87 3HB ALA 87 -4.539 16.322 -13.597 496 H PHE 88 H PHE 88 -7.379 14.129 -12.722 497 HA PHE 88 HA PHE 88 -8.475 16.368 -11.323 498 1HB PHE 88 2HB PHE 88 -9.729 15.554 -13.174 499 2HB PHE 88 3HB PHE 88 -9.704 13.905 -12.556 500 HD1 PHE 88 HD1 PHE 88 -11.164 13.236 -10.730 501 HD2 PHE 88 HD2 PHE 88 -11.287 17.177 -12.335 502 HE1 PHE 88 HE1 PHE 88 -13.329 13.615 -9.625 503 HE2 PHE 88 HE2 PHE 88 -13.452 17.562 -11.231 504 HZ PHE 88 HZ PHE 88 -14.476 15.780 -9.874 505 H VAL 89 H VAL 89 -7.902 12.991 -10.578 506 HA VAL 89 HA VAL 89 -9.465 12.863 -8.222 507 HB VAL 89 HB VAL 89 -7.053 11.231 -9.025 508 1HG1 VAL 89 1HG1 VAL 89 -7.115 10.610 -6.861 509 2HG1 VAL 89 2HG1 VAL 89 -8.761 11.202 -6.629 510 3HG1 VAL 89 3HG1 VAL 89 -8.485 9.631 -7.383 511 1HG2 VAL 89 1HG2 VAL 89 -8.401 9.984 -10.298 512 2HG2 VAL 89 2HG2 VAL 89 -9.677 9.966 -9.081 513 3HG2 VAL 89 3HG2 VAL 89 -9.541 11.326 -10.195 514 H GLU 90 H GLU 90 -6.069 13.654 -8.820 515 HA GLU 90 HA GLU 90 -5.501 13.998 -6.012 516 1HB GLU 90 2HB GLU 90 -3.277 14.432 -6.652 517 2HB GLU 90 3HB GLU 90 -3.845 13.218 -7.790 518 1HG GLU 90 2HG GLU 90 -2.966 14.581 -9.326 519 2HG GLU 90 3HG GLU 90 -4.466 15.484 -9.124 520 H ALA 91 H ALA 91 -6.551 15.960 -8.657 521 HA ALA 91 HA ALA 91 -5.793 18.478 -7.514 522 1HB ALA 91 1HB ALA 91 -7.270 19.424 -9.288 523 2HB ALA 91 2HB ALA 91 -6.011 18.345 -9.891 524 3HB ALA 91 3HB ALA 91 -7.675 17.773 -9.759 525 H PHE 92 H PHE 92 -8.460 16.317 -7.171 526 HA PHE 92 HA PHE 92 -9.856 18.327 -5.531 527 1HB PHE 92 2HB PHE 92 -10.997 16.213 -7.354 528 2HB PHE 92 3HB PHE 92 -11.956 16.987 -6.097 529 HD1 PHE 92 HD1 PHE 92 -9.657 17.970 -8.870 530 HD2 PHE 92 HD2 PHE 92 -13.247 18.769 -6.726 531 HE1 PHE 92 HE1 PHE 92 -10.154 19.830 -10.402 532 HE2 PHE 92 HE2 PHE 92 -13.749 20.630 -8.255 533 HZ PHE 92 HZ PHE 92 -12.202 21.162 -10.096 534 H GLN 93 H GLN 93 -7.952 15.786 -5.255 535 HA GLN 93 HA GLN 93 -9.161 13.814 -3.785 536 1HB GLN 93 2HB GLN 93 -6.882 13.525 -4.319 537 2HB GLN 93 3HB GLN 93 -6.425 15.045 -3.562 538 1HG GLN 93 2HG GLN 93 -6.888 14.114 -1.367 539 2HG GLN 93 3HG GLN 93 -7.402 12.598 -2.106 540 1HE2 GLN 93 1HE2 GLN 93 -5.690 11.870 -0.546 541 2HE2 GLN 93 2HE2 GLN 93 -4.072 11.776 -1.146 542 HN2 GLY 94 H GLY 94 -8.306 17.057 -2.763 543 1HA GLY 94 2HA GLY 94 -9.746 16.550 -0.242 544 2HA GLY 94 3HA GLY 94 -8.193 17.373 -0.222 545 H TYR 95 H TYR 95 -11.287 17.612 -1.983 546 HA TYR 95 HA TYR 95 -11.275 20.496 -1.400 547 1HB TYR 95 2HB TYR 95 -10.593 20.242 -3.714 548 2HB TYR 95 3HB TYR 95 -11.961 19.182 -4.037 549 HD1 TYR 95 HD1 TYR 95 -10.831 22.610 -3.749 550 HD2 TYR 95 HD2 TYR 95 -14.268 20.120 -4.050 551 HE1 TYR 95 HE1 TYR 95 -12.182 24.562 -4.391 552 HE2 TYR 95 HE2 TYR 95 -15.628 22.065 -4.694 553 HH TYR 95 HH TYR 95 -14.272 25.039 -5.596 554 HA PRO 96 HA PRO 96 -15.328 19.687 0.149 555 1HB PRO 96 2HB PRO 96 -16.203 22.254 0.267 556 2HB PRO 96 3HB PRO 96 -15.044 21.580 1.419 557 1HG PRO 96 2HG PRO 96 -14.545 23.282 -0.992 558 2HG PRO 96 3HG PRO 96 -13.817 23.387 0.621 559 1HD PRO 96 2HD PRO 96 -12.553 22.228 -1.474 560 2HD PRO 96 3HD PRO 96 -12.329 21.679 0.199 561 H PHE 97 H PHE 97 -16.517 18.656 -1.400 562 HA PHE 97 HA PHE 97 -17.963 20.381 -3.288 563 1HB PHE 97 2HB PHE 97 -16.279 19.283 -4.615 564 2HB PHE 97 3HB PHE 97 -16.669 17.721 -3.904 565 HD1 PHE 97 HD1 PHE 97 -17.897 16.288 -5.195 566 HD2 PHE 97 HD2 PHE 97 -18.427 20.480 -5.703 567 HE1 PHE 97 HE1 PHE 97 -19.502 15.861 -7.011 568 HE2 PHE 97 HE2 PHE 97 -20.034 20.060 -7.519 569 HZ PHE 97 HZ PHE 97 -20.573 17.749 -8.174 570 H GLN 98 H GLN 98 -20.071 19.723 -3.802 571 HA GLN 98 HA GLN 98 -22.137 18.897 -3.327 572 1HB GLN 98 2HB GLN 98 -20.401 16.681 -3.674 573 2HB GLN 98 3HB GLN 98 -21.481 16.292 -2.342 574 1HG GLN 98 2HG GLN 98 -23.375 17.010 -3.878 575 2HG GLN 98 3HG GLN 98 -22.185 16.963 -5.178 576 1HE2 GLN 98 1HE2 GLN 98 -21.627 15.050 -6.045 577 2HE2 GLN 98 2HE2 GLN 98 -22.245 13.522 -5.527 578 HN2 GLY 99 H GLY 99 -20.469 20.110 -1.164 579 1HA GLY 99 2HA GLY 99 -21.860 20.554 0.917 580 2HA GLY 99 3HA GLY 99 -21.734 18.819 1.169 581 H ASN 100 H ASN 100 -19.266 18.102 0.897 582 HA ASN 100 HA ASN 100 -17.214 19.816 1.686 583 1HB ASN 100 2HB ASN 100 -18.962 18.940 3.857 584 2HB ASN 100 3HB ASN 100 -17.273 18.522 4.131 585 1HD2 ASN 100 1HD2 ASN 100 -15.826 20.498 3.258 586 2HD2 ASN 100 2HD2 ASN 100 -16.246 22.004 3.994 587 HA PRO 101 HA PRO 101 -15.810 15.272 2.502 588 1HB PRO 101 2HB PRO 101 -17.721 13.343 2.478 589 2HB PRO 101 3HB PRO 101 -17.261 14.221 3.942 590 1HG PRO 101 2HG PRO 101 -19.596 14.665 2.121 591 2HG PRO 101 3HG PRO 101 -19.540 14.679 3.894 592 1HD PRO 101 2HD PRO 101 -19.549 16.950 2.419 593 2HD PRO 101 3HD PRO 101 -18.706 16.826 3.977 594 H LEU 102 H LEU 102 -14.828 15.165 0.547 595 HA LEU 102 HA LEU 102 -16.354 13.936 -1.645 596 1HB LEU 102 2HB LEU 102 -16.176 16.209 -2.273 597 2HB LEU 102 3HB LEU 102 -14.488 16.289 -1.770 598 HG LEU 102 HG LEU 102 -13.973 14.694 -3.656 599 1HD1 LEU 102 1HD1 LEU 102 -15.897 15.093 -5.483 600 2HD1 LEU 102 2HD1 LEU 102 -16.881 15.028 -4.021 601 3HD1 LEU 102 3HD1 LEU 102 -15.829 13.675 -4.437 602 1HD2 LEU 102 1HD2 LEU 102 -13.255 16.680 -4.386 603 2HD2 LEU 102 2HD2 LEU 102 -14.681 17.521 -3.778 604 3HD2 LEU 102 3HD2 LEU 102 -14.734 16.715 -5.346 605 H VAL 103 H VAL 103 -15.490 12.054 -2.185 606 HA VAL 103 HA VAL 103 -12.587 11.679 -1.826 607 HB VAL 103 HB VAL 103 -14.016 10.288 -0.321 608 1HG1 VAL 103 1HG1 VAL 103 -15.629 8.895 -1.054 609 2HG1 VAL 103 2HG1 VAL 103 -15.648 9.976 -2.449 610 3HG1 VAL 103 3HG1 VAL 103 -14.741 8.464 -2.515 611 1HG2 VAL 103 1HG2 VAL 103 -12.637 8.440 -0.469 612 2HG2 VAL 103 2HG2 VAL 103 -12.632 8.453 -2.233 613 3HG2 VAL 103 3HG2 VAL 103 -11.705 9.658 -1.339 614 H ILE 104 H ILE 104 -11.407 10.954 -3.512 615 HA ILE 104 HA ILE 104 -12.813 10.003 -5.907 616 HB ILE 104 HB ILE 104 -10.840 11.359 -7.104 617 1HG1 ILE 104 2HG1 ILE 104 -10.293 12.237 -4.689 618 2HG1 ILE 104 3HG1 ILE 104 -10.215 13.331 -6.066 619 1HG2 ILE 104 1HG2 ILE 104 -12.579 13.256 -7.319 620 2HG2 ILE 104 2HG2 ILE 104 -13.004 11.644 -7.893 621 3HG2 ILE 104 3HG2 ILE 104 -13.604 12.211 -6.335 622 1HD1 ILE 104 1HD1 ILE 104 -12.773 13.115 -4.574 623 2HD1 ILE 104 2HD1 ILE 104 -11.436 14.008 -3.849 624 3HD1 ILE 104 3HD1 ILE 104 -12.068 14.491 -5.423 625 H THR 105 H THR 105 -11.963 8.187 -6.672 626 HA THR 105 HA THR 105 -9.103 7.675 -6.391 627 HB THR 105 HB THR 105 -9.754 5.249 -5.710 628 HG1 THR 105 HG1 THR 105 -11.664 5.403 -4.260 629 1HG2 THR 105 1HG2 THR 105 -10.208 7.058 -3.414 630 2HG2 THR 105 2HG2 THR 105 -8.730 7.323 -4.340 631 3HG2 THR 105 3HG2 THR 105 -9.045 5.748 -3.613 632 H PHE 106 H PHE 106 -8.532 5.554 -7.545 633 HA PHE 106 HA PHE 106 -9.765 5.654 -10.167 634 1HB PHE 106 2HB PHE 106 -7.460 3.929 -9.248 635 2HB PHE 106 3HB PHE 106 -7.907 4.308 -10.908 636 HD1 PHE 106 HD1 PHE 106 -7.384 6.454 -11.881 637 HD2 PHE 106 HD2 PHE 106 -6.325 5.550 -7.859 638 HE1 PHE 106 HE1 PHE 106 -5.877 8.399 -11.844 639 HE2 PHE 106 HE2 PHE 106 -4.817 7.493 -7.815 640 HZ PHE 106 HZ PHE 106 -4.592 8.921 -9.809 641 H SER 107 H SER 107 -9.762 3.306 -11.259 642 HA SER 107 HA SER 107 -10.976 1.339 -9.479 643 1HB SER 107 2HB SER 107 -12.536 3.064 -11.101 644 2HB SER 107 3HB SER 107 -12.593 1.466 -11.845 645 HG SER 107 HG SER 107 -13.026 1.861 -9.079 646 H GLU 108 H GLU 108 -11.858 -0.503 -11.224 647 HA GLU 108 HA GLU 108 -9.405 -1.244 -12.657 648 1HB GLU 108 2HB GLU 108 -11.699 -3.066 -11.936 649 2HB GLU 108 3HB GLU 108 -10.076 -3.524 -12.434 650 1HG GLU 108 2HG GLU 108 -9.578 -2.016 -10.219 651 2HG GLU 108 3HG GLU 108 -11.102 -2.796 -9.799 652 H THR 109 H THR 109 -9.410 -1.767 -14.798 653 HA THR 109 HA THR 109 -11.970 -1.524 -16.235 654 HB THR 109 HB THR 109 -10.629 -0.508 -18.132 655 HG1 THR 109 HG1 THR 109 -8.744 0.049 -16.074 656 1HG2 THR 109 1HG2 THR 109 -12.043 0.974 -16.996 657 2HG2 THR 109 2HG2 THR 109 -10.467 1.762 -16.932 658 3HG2 THR 109 3HG2 THR 109 -11.082 0.904 -15.520 659 HA PRO 110 HA PRO 110 -9.821 -5.524 -17.279 660 1HB PRO 110 2HB PRO 110 -12.022 -7.077 -16.943 661 2HB PRO 110 3HB PRO 110 -10.927 -6.664 -15.619 662 1HG PRO 110 2HG PRO 110 -13.559 -5.440 -16.351 663 2HG PRO 110 3HG PRO 110 -12.932 -5.869 -14.749 664 1HD PRO 110 2HD PRO 110 -12.901 -3.332 -15.694 665 2HD PRO 110 3HD PRO 110 -11.651 -3.959 -14.600 666 H GLN 111 H GLN 111 -10.885 -7.292 -18.821 667 HA GLN 111 HA GLN 111 -12.789 -6.345 -20.720 668 1HB GLN 111 2HB GLN 111 -10.478 -5.157 -21.187 669 2HB GLN 111 3HB GLN 111 -10.085 -6.697 -21.941 670 1HG GLN 111 2HG GLN 111 -10.987 -5.820 -23.775 671 2HG GLN 111 3HG GLN 111 -12.536 -6.158 -23.005 672 1HE2 GLN 111 1HE2 GLN 111 -13.848 -4.513 -22.537 673 2HE2 GLN 111 2HE2 GLN 111 -13.443 -2.841 -22.696 674 H SER 112 H SER 112 -13.046 -8.576 -19.417 675 HA SER 112 HA SER 112 -11.838 -10.784 -20.884 676 1HB SER 112 2HB SER 112 -11.979 -10.949 -18.437 677 2HB SER 112 3HB SER 112 -13.733 -10.796 -18.521 678 HG SER 112 HG SER 112 -12.114 -12.967 -19.061 679 H GLN 113 H GLN 113 -14.835 -9.059 -20.657 680 HA GLN 113 HA GLN 113 -16.671 -10.884 -21.609 681 1HB GLN 113 2HB GLN 113 -17.798 -8.847 -22.656 682 2HB GLN 113 3HB GLN 113 -17.502 -8.791 -20.923 683 1HG GLN 113 2HG GLN 113 -15.921 -7.163 -21.099 684 2HG GLN 113 3HG GLN 113 -15.439 -7.651 -22.723 685 1HE2 GLN 113 1HE2 GLN 113 -16.026 -6.347 -24.294 686 2HE2 GLN 113 2HE2 GLN 113 -17.347 -5.235 -24.258 687 H VAL 114 H VAL 114 -14.182 -9.145 -23.346 688 HA VAL 114 HA VAL 114 -15.135 -9.712 -25.964 689 HB VAL 114 HB VAL 114 -12.936 -9.023 -26.746 690 1HG1 VAL 114 1HG1 VAL 114 -14.494 -7.269 -26.169 691 2HG1 VAL 114 2HG1 VAL 114 -13.976 -7.321 -24.483 692 3HG1 VAL 114 3HG1 VAL 114 -12.859 -6.773 -25.733 693 1HG2 VAL 114 1HG2 VAL 114 -11.150 -9.547 -25.527 694 2HG2 VAL 114 2HG2 VAL 114 -11.579 -8.223 -24.443 695 3HG2 VAL 114 3HG2 VAL 114 -12.141 -9.860 -24.102 696 H ALA 115 H ALA 115 -14.174 -11.153 -27.516 697 HA ALA 115 HA ALA 115 -13.833 -13.786 -26.513 698 1HB ALA 115 1HB ALA 115 -13.972 -12.501 -29.147 699 2HB ALA 115 2HB ALA 115 -13.003 -13.974 -29.090 700 3HB ALA 115 3HB ALA 115 -14.690 -14.008 -28.576 701 H GLU 116 H GLU 116 -11.636 -11.232 -27.350 702 HA GLU 116 HA GLU 116 -9.298 -12.593 -27.896 703 1HB GLU 116 2HB GLU 116 -9.848 -10.021 -27.732 704 2HB GLU 116 3HB GLU 116 -9.197 -10.199 -26.108 705 1HG GLU 116 2HG GLU 116 -7.095 -10.976 -26.981 706 2HG GLU 116 3HG GLU 116 -7.737 -10.971 -28.623 707 H ASP 117 H ASP 117 -10.605 -11.686 -24.720 708 HA ASP 117 HA ASP 117 -10.108 -12.379 -22.608 709 1HB ASP 117 2HB ASP 117 -10.844 -14.543 -23.876 710 2HB ASP 117 3HB ASP 117 -9.145 -14.986 -23.736 Start of MODEL 6 1 H THR 22 H THR 22 8.846 0.512 -5.335 2 HA THR 22 HA THR 22 9.375 0.795 -8.182 3 HB THR 22 HB THR 22 9.729 -1.897 -6.858 4 HG1 THR 22 HG1 THR 22 11.453 -0.402 -6.358 5 1HG2 THR 22 1HG2 THR 22 10.978 -1.903 -9.318 6 2HG2 THR 22 2HG2 THR 22 9.519 -0.956 -9.609 7 3HG2 THR 22 3HG2 THR 22 9.394 -2.591 -8.962 8 HA PRO 23 HA PRO 23 4.979 -0.239 -7.014 9 1HB PRO 23 2HB PRO 23 3.867 1.819 -8.392 10 2HB PRO 23 3HB PRO 23 4.426 1.971 -6.722 11 1HG PRO 23 2HG PRO 23 5.792 2.785 -9.258 12 2HG PRO 23 3HG PRO 23 5.670 3.662 -7.722 13 1HD PRO 23 2HD PRO 23 7.885 2.277 -8.437 14 2HD PRO 23 3HD PRO 23 7.367 2.444 -6.747 15 HA PRO 24 HA PRO 24 5.014 -2.317 -11.024 16 1HB PRO 24 2HB PRO 24 3.224 -4.225 -10.300 17 2HB PRO 24 3HB PRO 24 4.936 -4.302 -9.870 18 1HG PRO 24 2HG PRO 24 2.607 -3.402 -8.219 19 2HG PRO 24 3HG PRO 24 3.980 -4.422 -7.753 20 1HD PRO 24 2HD PRO 24 3.843 -1.790 -7.132 21 2HD PRO 24 3HD PRO 24 5.381 -2.617 -7.454 22 H HIS 25 H HIS 25 3.746 -1.977 -12.757 23 HA HIS 25 HA HIS 25 1.121 -0.745 -12.306 24 1HB HIS 25 2HB HIS 25 3.210 -0.482 -14.393 25 2HB HIS 25 3HB HIS 25 1.540 -0.367 -14.940 26 HD1 HIS 25 HD1 HIS 25 4.140 1.764 -14.022 27 HD2 HIS 25 HD2 HIS 25 0.126 1.574 -12.966 28 HE1 HIS 25 HE1 HIS 25 3.558 4.059 -13.174 29 H THR 26 H THR 26 -0.370 -2.325 -12.192 30 HA THR 26 HA THR 26 -0.245 -4.623 -13.959 31 HB THR 26 HB THR 26 -2.490 -5.151 -12.767 32 HG1 THR 26 HG1 THR 26 -2.628 -4.075 -10.716 33 1HG2 THR 26 1HG2 THR 26 -1.222 -6.551 -11.579 34 2HG2 THR 26 2HG2 THR 26 -0.561 -5.225 -10.622 35 3HG2 THR 26 3HG2 THR 26 0.189 -5.664 -12.156 36 H GLU 27 H GLU 27 -2.596 -2.029 -13.270 37 HA GLU 27 HA GLU 27 -3.542 -2.284 -16.045 38 1HB GLU 27 2HB GLU 27 -5.825 -1.582 -15.060 39 2HB GLU 27 3HB GLU 27 -5.315 -3.255 -14.884 40 1HG GLU 27 2HG GLU 27 -4.758 -2.950 -12.613 41 2HG GLU 27 3HG GLU 27 -4.872 -1.196 -12.746 42 HA PRO 28 HA PRO 28 -3.047 2.059 -16.414 43 1HB PRO 28 2HB PRO 28 -5.120 2.721 -18.037 44 2HB PRO 28 3HB PRO 28 -3.699 1.838 -18.607 45 1HG PRO 28 2HG PRO 28 -6.395 0.791 -17.837 46 2HG PRO 28 3HG PRO 28 -5.374 0.345 -19.216 47 1HD PRO 28 2HD PRO 28 -5.525 -1.158 -16.969 48 2HD PRO 28 3HD PRO 28 -4.046 -1.045 -17.944 49 H SER 29 H SER 29 -6.478 1.195 -15.936 50 HA SER 29 HA SER 29 -8.095 2.062 -14.592 51 1HB SER 29 2HB SER 29 -5.842 3.342 -13.032 52 2HB SER 29 3HB SER 29 -7.465 2.972 -12.452 53 HG SER 29 HG SER 29 -6.720 0.696 -13.188 54 H GLN 30 H GLN 30 -8.533 3.363 -16.563 55 HA GLN 30 HA GLN 30 -7.817 6.187 -16.331 56 1HB GLN 30 2HB GLN 30 -9.402 4.877 -18.538 57 2HB GLN 30 3HB GLN 30 -8.591 6.437 -18.579 58 1HG GLN 30 2HG GLN 30 -6.440 5.395 -18.560 59 2HG GLN 30 3HG GLN 30 -7.160 3.808 -18.292 60 1HE2 GLN 30 1HE2 GLN 30 -8.088 6.399 -20.511 61 2HE2 GLN 30 2HE2 GLN 30 -7.905 5.469 -21.955 62 H VAL 31 H VAL 31 -9.751 4.796 -14.541 63 HA VAL 31 HA VAL 31 -11.958 6.693 -14.900 64 HB VAL 31 HB VAL 31 -13.641 5.049 -14.383 65 1HG1 VAL 31 1HG1 VAL 31 -12.221 3.509 -16.446 66 2HG1 VAL 31 2HG1 VAL 31 -13.812 4.271 -16.488 67 3HG1 VAL 31 3HG1 VAL 31 -12.362 5.238 -16.762 68 1HG2 VAL 31 1HG2 VAL 31 -13.095 2.662 -14.169 69 2HG2 VAL 31 2HG2 VAL 31 -11.378 3.057 -14.246 70 3HG2 VAL 31 3HG2 VAL 31 -12.353 3.626 -12.892 71 H VAL 32 H VAL 32 -13.121 7.174 -12.953 72 HA VAL 32 HA VAL 32 -11.710 6.409 -10.483 73 HB VAL 32 HB VAL 32 -11.860 8.615 -9.608 74 1HG1 VAL 32 1HG1 VAL 32 -10.534 9.920 -11.217 75 2HG1 VAL 32 2HG1 VAL 32 -9.969 8.253 -11.087 76 3HG1 VAL 32 3HG1 VAL 32 -10.935 8.752 -12.476 77 1HG2 VAL 32 1HG2 VAL 32 -13.746 9.710 -10.148 78 2HG2 VAL 32 2HG2 VAL 32 -12.789 10.349 -11.484 79 3HG2 VAL 32 3HG2 VAL 32 -13.846 8.961 -11.741 80 H LEU 33 H LEU 33 -12.959 6.006 -8.707 81 HA LEU 33 HA LEU 33 -15.867 6.015 -9.152 82 1HB LEU 33 2HB LEU 33 -15.384 3.818 -8.762 83 2HB LEU 33 3HB LEU 33 -14.009 4.193 -7.725 84 HG LEU 33 HG LEU 33 -15.515 4.723 -5.888 85 1HD1 LEU 33 1HD1 LEU 33 -17.954 3.653 -6.943 86 2HD1 LEU 33 2HD1 LEU 33 -17.421 5.016 -7.927 87 3HD1 LEU 33 3HD1 LEU 33 -17.653 5.220 -6.191 88 1HD2 LEU 33 1HD2 LEU 33 -15.770 2.568 -5.280 89 2HD2 LEU 33 2HD2 LEU 33 -14.873 2.257 -6.767 90 3HD2 LEU 33 3HD2 LEU 33 -16.634 2.139 -6.757 91 H ILE 34 H ILE 34 -17.024 7.438 -8.048 92 HA ILE 34 HA ILE 34 -15.870 8.595 -5.599 93 HB ILE 34 HB ILE 34 -17.362 10.513 -5.965 94 1HG1 ILE 34 2HG1 ILE 34 -18.847 8.840 -7.512 95 2HG1 ILE 34 3HG1 ILE 34 -18.980 10.594 -7.547 96 1HG2 ILE 34 1HG2 ILE 34 -15.550 9.771 -8.252 97 2HG2 ILE 34 2HG2 ILE 34 -16.240 11.378 -8.032 98 3HG2 ILE 34 3HG2 ILE 34 -15.147 10.715 -6.817 99 1HD1 ILE 34 1HD1 ILE 34 -17.176 9.027 -9.368 100 2HD1 ILE 34 2HD1 ILE 34 -18.825 9.502 -9.779 101 3HD1 ILE 34 3HD1 ILE 34 -17.601 10.735 -9.476 102 H THR 35 H THR 35 -17.157 8.864 -3.762 103 HA THR 35 HA THR 35 -19.836 7.712 -3.763 104 HB THR 35 HB THR 35 -19.408 6.228 -1.895 105 HG1 THR 35 HG1 THR 35 -16.628 6.658 -2.125 106 1HG2 THR 35 1HG2 THR 35 -19.016 5.440 -4.255 107 2HG2 THR 35 2HG2 THR 35 -18.171 4.519 -3.010 108 3HG2 THR 35 3HG2 THR 35 -17.294 5.702 -3.980 109 H ASN 36 H ASN 36 -20.488 7.714 -1.190 110 HA ASN 36 HA ASN 36 -21.095 9.017 0.574 111 1HB ASN 36 2HB ASN 36 -18.436 9.173 0.596 112 2HB ASN 36 3HB ASN 36 -18.778 10.858 0.216 113 1HD2 ASN 36 1HD2 ASN 36 -17.906 9.103 2.658 114 2HD2 ASN 36 2HD2 ASN 36 -18.795 9.819 3.956 115 H ILE 37 H ILE 37 -21.692 9.739 -2.288 116 HA ILE 37 HA ILE 37 -21.990 12.630 -2.170 117 HB ILE 37 HB ILE 37 -23.018 12.369 -4.431 118 1HG1 ILE 37 2HG1 ILE 37 -22.153 9.484 -4.156 119 2HG1 ILE 37 3HG1 ILE 37 -23.823 10.030 -4.052 120 1HG2 ILE 37 1HG2 ILE 37 -20.672 12.884 -4.230 121 2HG2 ILE 37 2HG2 ILE 37 -20.281 11.179 -4.010 122 3HG2 ILE 37 3HG2 ILE 37 -20.904 11.748 -5.559 123 1HD1 ILE 37 1HD1 ILE 37 -22.114 9.622 -6.388 124 2HD1 ILE 37 2HD1 ILE 37 -23.870 9.559 -6.233 125 3HD1 ILE 37 3HD1 ILE 37 -23.056 11.113 -6.417 126 H ASN 38 H ASN 38 -23.868 13.712 -1.857 127 HA ASN 38 HA ASN 38 -26.036 12.316 -0.623 128 1HB ASN 38 2HB ASN 38 -25.092 14.960 -0.666 129 2HB ASN 38 3HB ASN 38 -26.700 15.027 -1.381 130 1HD2 ASN 38 1HD2 ASN 38 -24.862 14.538 1.475 131 2HD2 ASN 38 2HD2 ASN 38 -26.190 14.395 2.570 132 HA PRO 39 HA PRO 39 -28.159 11.421 -4.439 133 1HB PRO 39 2HB PRO 39 -30.307 10.231 -3.281 134 2HB PRO 39 3HB PRO 39 -28.745 9.425 -3.464 135 1HG PRO 39 2HG PRO 39 -29.904 10.786 -1.063 136 2HG PRO 39 3HG PRO 39 -29.024 9.250 -1.162 137 1HD PRO 39 2HD PRO 39 -27.849 11.552 -0.354 138 2HD PRO 39 3HD PRO 39 -26.967 10.288 -1.235 139 H GLU 40 H GLU 40 -29.011 13.589 -1.995 140 HA GLU 40 HA GLU 40 -31.633 14.283 -2.499 141 1HB GLU 40 2HB GLU 40 -29.241 15.799 -1.557 142 2HB GLU 40 3HB GLU 40 -30.695 16.701 -1.964 143 1HG GLU 40 2HG GLU 40 -31.751 14.775 -0.408 144 2HG GLU 40 3HG GLU 40 -30.145 14.914 0.305 145 H VAL 41 H VAL 41 -28.800 14.879 -4.425 146 HA VAL 41 HA VAL 41 -30.256 16.688 -6.200 147 HB VAL 41 HB VAL 41 -27.990 17.351 -5.633 148 1HG1 VAL 41 1HG1 VAL 41 -27.030 15.178 -5.164 149 2HG1 VAL 41 2HG1 VAL 41 -27.161 14.724 -6.864 150 3HG1 VAL 41 3HG1 VAL 41 -26.059 16.013 -6.376 151 1HG2 VAL 41 1HG2 VAL 41 -28.738 18.031 -7.798 152 2HG2 VAL 41 2HG2 VAL 41 -27.053 17.532 -7.946 153 3HG2 VAL 41 3HG2 VAL 41 -28.342 16.458 -8.490 154 HA PRO 42 HA PRO 42 -31.293 13.397 -8.965 155 1HB PRO 42 2HB PRO 42 -31.996 14.931 -11.092 156 2HB PRO 42 3HB PRO 42 -33.019 14.744 -9.662 157 1HG PRO 42 2HG PRO 42 -31.158 16.976 -10.382 158 2HG PRO 42 3HG PRO 42 -32.793 17.058 -9.700 159 1HD PRO 42 2HD PRO 42 -30.566 17.354 -8.187 160 2HD PRO 42 3HD PRO 42 -32.057 16.623 -7.559 161 H LYS 43 H LYS 43 -30.262 12.216 -10.495 162 HA LYS 43 HA LYS 43 -27.618 12.567 -11.116 163 1HB LYS 43 2HB LYS 43 -28.563 10.440 -11.516 164 2HB LYS 43 3HB LYS 43 -29.803 11.099 -12.575 165 1HG LYS 43 2HG LYS 43 -27.033 11.538 -13.456 166 2HG LYS 43 3HG LYS 43 -27.573 9.858 -13.437 167 1HD LYS 43 2HD LYS 43 -29.673 10.811 -14.653 168 2HD LYS 43 3HD LYS 43 -28.610 12.169 -15.027 169 1HE LYS 43 2HE LYS 43 -27.722 11.007 -16.697 170 2HE LYS 43 3HE LYS 43 -27.176 9.782 -15.552 171 1HZ LYS 43 1HZ LYS 43 -29.771 9.164 -15.825 172 2HZ LYS 43 2HZ LYS 43 -28.524 8.451 -16.717 173 3HZ LYS 43 3HZ LYS 43 -29.413 9.729 -17.379 174 H GLU 44 H GLU 44 -30.414 13.880 -12.772 175 HA GLU 44 HA GLU 44 -29.344 14.668 -15.182 176 1HB GLU 44 2HB GLU 44 -31.535 15.611 -13.452 177 2HB GLU 44 3HB GLU 44 -30.925 16.806 -14.587 178 1HG GLU 44 2HG GLU 44 -31.300 15.216 -16.426 179 2HG GLU 44 3HG GLU 44 -31.977 14.071 -15.270 180 H LYS 45 H LYS 45 -29.420 16.616 -12.195 181 HA LYS 45 HA LYS 45 -27.565 18.530 -13.321 182 1HB LYS 45 2HB LYS 45 -28.960 18.307 -10.659 183 2HB LYS 45 3HB LYS 45 -27.750 19.542 -10.981 184 1HG LYS 45 2HG LYS 45 -29.655 20.692 -11.474 185 2HG LYS 45 3HG LYS 45 -29.268 20.033 -13.065 186 1HD LYS 45 2HD LYS 45 -31.413 19.338 -13.017 187 2HD LYS 45 3HD LYS 45 -30.758 18.021 -12.041 188 1HE LYS 45 2HE LYS 45 -32.714 18.954 -10.964 189 2HE LYS 45 3HE LYS 45 -31.277 19.304 -10.005 190 1HZ LYS 45 1HZ LYS 45 -33.136 21.107 -11.114 191 2HZ LYS 45 2HZ LYS 45 -31.610 21.420 -11.771 192 3HZ LYS 45 3HZ LYS 45 -31.827 21.432 -10.094 193 H LEU 46 H LEU 46 -27.562 16.068 -10.777 194 HA LEU 46 HA LEU 46 -25.073 16.515 -9.665 195 1HB LEU 46 2HB LEU 46 -25.989 14.864 -8.475 196 2HB LEU 46 3HB LEU 46 -26.947 14.296 -9.841 197 HG LEU 46 HG LEU 46 -24.948 13.068 -10.662 198 1HD1 LEU 46 1HD1 LEU 46 -23.327 12.746 -8.520 199 2HD1 LEU 46 2HD1 LEU 46 -23.739 14.454 -8.373 200 3HD1 LEU 46 3HD1 LEU 46 -23.003 13.849 -9.857 201 1HD2 LEU 46 1HD2 LEU 46 -26.279 12.510 -8.061 202 2HD2 LEU 46 2HD2 LEU 46 -24.935 11.480 -8.555 203 3HD2 LEU 46 3HD2 LEU 46 -26.359 11.628 -9.586 204 H GLN 47 H GLN 47 -25.870 14.452 -12.453 205 HA GLN 47 HA GLN 47 -23.238 13.626 -12.993 206 1HB GLN 47 2HB GLN 47 -25.247 12.517 -13.907 207 2HB GLN 47 3HB GLN 47 -25.544 13.920 -14.925 208 1HG GLN 47 2HG GLN 47 -23.000 13.329 -15.616 209 2HG GLN 47 3HG GLN 47 -23.625 11.724 -15.241 210 1HE2 GLN 47 1HE2 GLN 47 -24.553 14.667 -16.991 211 2HE2 GLN 47 2HE2 GLN 47 -25.264 13.848 -18.336 212 H ALA 48 H ALA 48 -25.181 16.250 -14.403 213 HA ALA 48 HA ALA 48 -23.288 17.200 -16.216 214 1HB ALA 48 1HB ALA 48 -24.537 19.419 -15.897 215 2HB ALA 48 2HB ALA 48 -25.453 18.028 -16.480 216 3HB ALA 48 3HB ALA 48 -25.573 18.518 -14.790 217 H LEU 49 H LEU 49 -23.602 17.707 -12.770 218 HA LEU 49 HA LEU 49 -21.790 19.903 -12.608 219 1HB LEU 49 2HB LEU 49 -23.461 18.427 -10.843 220 2HB LEU 49 3HB LEU 49 -21.833 18.454 -10.166 221 HG LEU 49 HG LEU 49 -23.038 20.276 -9.225 222 1HD1 LEU 49 1HD1 LEU 49 -21.621 21.886 -11.218 223 2HD1 LEU 49 2HD1 LEU 49 -20.666 20.576 -10.523 224 3HD1 LEU 49 3HD1 LEU 49 -21.402 21.784 -9.470 225 1HD2 LEU 49 1HD2 LEU 49 -24.739 21.210 -10.296 226 2HD2 LEU 49 2HD2 LEU 49 -24.300 20.357 -11.776 227 3HD2 LEU 49 3HD2 LEU 49 -23.612 21.946 -11.436 228 H LEU 50 H LEU 50 -21.479 16.422 -11.950 229 HA LEU 50 HA LEU 50 -18.831 16.378 -11.131 230 1HB LEU 50 2HB LEU 50 -20.383 14.332 -12.705 231 2HB LEU 50 3HB LEU 50 -18.810 14.031 -11.969 232 HG LEU 50 HG LEU 50 -21.322 14.742 -10.456 233 1HD1 LEU 50 1HD1 LEU 50 -21.491 12.464 -9.843 234 2HD1 LEU 50 2HD1 LEU 50 -19.934 12.076 -10.575 235 3HD1 LEU 50 3HD1 LEU 50 -21.309 12.495 -11.597 236 1HD2 LEU 50 1HD2 LEU 50 -19.396 15.478 -9.251 237 2HD2 LEU 50 2HD2 LEU 50 -18.549 13.964 -9.570 238 3HD2 LEU 50 3HD2 LEU 50 -19.957 13.981 -8.507 239 H TYR 51 H TYR 51 -20.167 16.788 -14.305 240 HA TYR 51 HA TYR 51 -17.793 16.145 -15.756 241 1HB TYR 51 2HB TYR 51 -20.178 16.160 -16.656 242 2HB TYR 51 3HB TYR 51 -20.039 17.914 -16.722 243 HD1 TYR 51 HD1 TYR 51 -19.690 14.979 -18.574 244 HD2 TYR 51 HD2 TYR 51 -17.826 18.756 -17.966 245 HE1 TYR 51 HE1 TYR 51 -18.627 14.804 -20.785 246 HE2 TYR 51 HE2 TYR 51 -16.760 18.592 -20.176 247 HH TYR 51 HH TYR 51 -16.883 17.474 -22.202 248 H ALA 52 H ALA 52 -19.318 19.184 -14.733 249 HA ALA 52 HA ALA 52 -17.613 21.007 -15.900 250 1HB ALA 52 1HB ALA 52 -19.539 21.022 -13.767 251 2HB ALA 52 2HB ALA 52 -18.165 22.052 -13.365 252 3HB ALA 52 3HB ALA 52 -19.064 22.324 -14.858 253 H LEU 53 H LEU 53 -17.282 19.589 -12.643 254 HA LEU 53 HA LEU 53 -14.797 20.768 -12.065 255 1HB LEU 53 2HB LEU 53 -15.807 18.140 -11.001 256 2HB LEU 53 3HB LEU 53 -14.652 19.232 -10.239 257 HG LEU 53 HG LEU 53 -17.555 19.901 -10.705 258 1HD1 LEU 53 1HD1 LEU 53 -17.764 18.244 -9.136 259 2HD1 LEU 53 2HD1 LEU 53 -17.489 19.642 -8.097 260 3HD1 LEU 53 3HD1 LEU 53 -16.164 18.534 -8.453 261 1HD2 LEU 53 1HD2 LEU 53 -15.389 21.537 -10.164 262 2HD2 LEU 53 2HD2 LEU 53 -16.133 21.278 -8.586 263 3HD2 LEU 53 3HD2 LEU 53 -17.090 21.931 -9.916 264 H ALA 54 H ALA 54 -15.619 17.577 -13.384 265 HA ALA 54 HA ALA 54 -13.080 16.474 -13.508 266 1HB ALA 54 1HB ALA 54 -13.956 15.062 -15.327 267 2HB ALA 54 2HB ALA 54 -15.066 15.170 -13.960 268 3HB ALA 54 3HB ALA 54 -15.378 16.102 -15.425 269 H SER 55 H SER 55 -14.776 18.289 -16.068 270 HA SER 55 HA SER 55 -12.706 18.293 -17.933 271 1HB SER 55 2HB SER 55 -14.922 18.963 -18.596 272 2HB SER 55 3HB SER 55 -14.911 20.309 -17.456 273 HG SER 55 HG SER 55 -14.077 21.437 -19.005 274 H SER 56 H SER 56 -13.247 20.297 -15.123 275 HA SER 56 HA SER 56 -11.531 22.421 -15.690 276 1HB SER 56 2HB SER 56 -13.126 21.742 -13.577 277 2HB SER 56 3HB SER 56 -11.519 21.521 -12.884 278 HG SER 56 HG SER 56 -11.880 23.624 -12.567 279 H GLN 57 H GLN 57 -10.843 19.143 -14.888 280 HA GLN 57 HA GLN 57 -7.996 19.802 -14.524 281 1HB GLN 57 2HB GLN 57 -9.574 17.393 -13.613 282 2HB GLN 57 3HB GLN 57 -7.825 17.525 -13.489 283 1HG GLN 57 2HG GLN 57 -9.524 19.655 -12.291 284 2HG GLN 57 3HG GLN 57 -9.366 18.108 -11.462 285 1HE2 GLN 57 1HE2 GLN 57 -6.825 17.401 -11.821 286 2HE2 GLN 57 2HE2 GLN 57 -5.747 18.566 -11.140 287 HN2 GLY 58 H GLY 58 -9.683 16.829 -15.513 288 1HA GLY 58 2HA GLY 58 -7.995 16.819 -17.939 289 2HA GLY 58 3HA GLY 58 -8.375 15.363 -17.031 290 H ASP 59 H ASP 59 -8.875 15.369 -19.684 291 HA ASP 59 HA ASP 59 -11.520 16.220 -20.332 292 1HB ASP 59 2HB ASP 59 -9.505 14.437 -21.676 293 2HB ASP 59 3HB ASP 59 -11.138 14.602 -22.314 294 H ILE 60 H ILE 60 -13.387 14.985 -20.589 295 HA ILE 60 HA ILE 60 -13.395 12.471 -19.060 296 HB ILE 60 HB ILE 60 -15.709 14.325 -19.637 297 1HG1 ILE 60 2HG1 ILE 60 -15.406 14.320 -16.937 298 2HG1 ILE 60 3HG1 ILE 60 -13.729 14.167 -17.449 299 1HG2 ILE 60 1HG2 ILE 60 -15.623 11.599 -18.816 300 2HG2 ILE 60 2HG2 ILE 60 -16.226 12.576 -17.479 301 3HG2 ILE 60 3HG2 ILE 60 -17.027 12.640 -19.048 302 1HD1 ILE 60 1HD1 ILE 60 -13.677 16.354 -17.743 303 2HD1 ILE 60 2HD1 ILE 60 -14.857 16.179 -19.043 304 3HD1 ILE 60 3HD1 ILE 60 -15.401 16.479 -17.392 305 H LEU 61 H LEU 61 -14.045 10.618 -19.989 306 HA LEU 61 HA LEU 61 -14.781 10.721 -22.823 307 1HB LEU 61 2HB LEU 61 -14.133 8.213 -21.328 308 2HB LEU 61 3HB LEU 61 -13.951 8.562 -23.046 309 HG LEU 61 HG LEU 61 -12.203 9.535 -20.790 310 1HD1 LEU 61 1HD1 LEU 61 -12.024 7.414 -22.837 311 2HD1 LEU 61 2HD1 LEU 61 -11.335 7.493 -21.216 312 3HD1 LEU 61 3HD1 LEU 61 -10.562 8.356 -22.546 313 1HD2 LEU 61 1HD2 LEU 61 -12.562 10.513 -23.555 314 2HD2 LEU 61 2HD2 LEU 61 -10.900 10.303 -23.003 315 3HD2 LEU 61 3HD2 LEU 61 -11.999 11.358 -22.113 316 H ASP 62 H ASP 62 -16.014 9.896 -19.702 317 HA ASP 62 HA ASP 62 -18.677 9.799 -20.528 318 1HB ASP 62 2HB ASP 62 -17.324 7.404 -21.122 319 2HB ASP 62 3HB ASP 62 -18.305 7.061 -19.699 320 H ILE 63 H ILE 63 -19.807 10.333 -18.784 321 HA ILE 63 HA ILE 63 -18.665 9.735 -16.143 322 HB ILE 63 HB ILE 63 -20.743 11.798 -16.884 323 1HG1 ILE 63 2HG1 ILE 63 -17.801 12.084 -16.238 324 2HG1 ILE 63 3HG1 ILE 63 -18.556 12.369 -17.802 325 1HG2 ILE 63 1HG2 ILE 63 -20.954 10.942 -14.590 326 2HG2 ILE 63 2HG2 ILE 63 -19.272 11.372 -14.288 327 3HG2 ILE 63 3HG2 ILE 63 -20.457 12.633 -14.626 328 1HD1 ILE 63 1HD1 ILE 63 -18.169 14.481 -16.832 329 2HD1 ILE 63 2HD1 ILE 63 -19.901 14.179 -16.691 330 3HD1 ILE 63 3HD1 ILE 63 -18.853 13.978 -15.287 331 H VAL 64 H VAL 64 -19.517 8.012 -15.191 332 HA VAL 64 HA VAL 64 -22.313 7.306 -15.720 333 HB VAL 64 HB VAL 64 -20.221 5.659 -14.297 334 1HG1 VAL 64 1HG1 VAL 64 -23.063 5.300 -14.927 335 2HG1 VAL 64 2HG1 VAL 64 -22.035 3.929 -15.347 336 3HG1 VAL 64 3HG1 VAL 64 -22.068 4.533 -13.690 337 1HG2 VAL 64 1HG2 VAL 64 -20.923 5.910 -17.190 338 2HG2 VAL 64 2HG2 VAL 64 -19.337 5.782 -16.428 339 3HG2 VAL 64 3HG2 VAL 64 -20.375 4.361 -16.551 340 H VAL 65 H VAL 65 -23.776 6.887 -14.039 341 HA VAL 65 HA VAL 65 -22.988 7.525 -11.309 342 HB VAL 65 HB VAL 65 -25.198 9.047 -12.698 343 1HG1 VAL 65 1HG1 VAL 65 -24.577 10.238 -10.255 344 2HG1 VAL 65 2HG1 VAL 65 -26.029 9.316 -10.652 345 3HG1 VAL 65 3HG1 VAL 65 -24.642 8.508 -9.920 346 1HG2 VAL 65 1HG2 VAL 65 -23.790 11.020 -12.341 347 2HG2 VAL 65 2HG2 VAL 65 -22.517 9.991 -11.683 348 3HG2 VAL 65 3HG2 VAL 65 -22.991 9.835 -13.374 349 H ASP 66 H ASP 66 -24.166 6.453 -9.806 350 HA ASP 66 HA ASP 66 -25.765 4.278 -10.587 351 1HB ASP 66 2HB ASP 66 -26.122 3.885 -8.246 352 2HB ASP 66 3HB ASP 66 -24.469 4.461 -8.444 353 H LEU 67 H LEU 67 -27.918 4.284 -8.814 354 HA LEU 67 HA LEU 67 -29.742 6.054 -10.247 355 1HB LEU 67 2HB LEU 67 -31.488 4.665 -9.034 356 2HB LEU 67 3HB LEU 67 -30.510 3.848 -10.252 357 HG LEU 67 HG LEU 67 -31.020 2.640 -8.029 358 1HD1 LEU 67 1HD1 LEU 67 -29.458 1.269 -8.795 359 2HD1 LEU 67 2HD1 LEU 67 -28.184 2.353 -8.238 360 3HD1 LEU 67 3HD1 LEU 67 -28.874 2.559 -9.847 361 1HD2 LEU 67 1HD2 LEU 67 -30.370 4.573 -6.611 362 2HD2 LEU 67 2HD2 LEU 67 -28.702 4.349 -7.137 363 3HD2 LEU 67 3HD2 LEU 67 -29.512 3.084 -6.213 364 H SER 68 H SER 68 -27.896 6.916 -8.039 365 HA SER 68 HA SER 68 -27.911 8.209 -6.159 366 1HB SER 68 2HB SER 68 -28.940 9.809 -7.639 367 2HB SER 68 3HB SER 68 -30.519 9.048 -7.444 368 HG SER 68 HG SER 68 -30.145 10.979 -6.151 369 H ASP 69 H ASP 69 -28.350 5.871 -5.235 370 HA ASP 69 HA ASP 69 -30.907 5.486 -3.995 371 1HB ASP 69 2HB ASP 69 -28.580 3.922 -4.464 372 2HB ASP 69 3HB ASP 69 -28.881 3.916 -2.728 373 H ASP 70 H ASP 70 -31.434 5.650 -1.814 374 HA ASP 70 HA ASP 70 -30.124 7.773 -0.407 375 1HB ASP 70 2HB ASP 70 -32.356 5.929 0.475 376 2HB ASP 70 3HB ASP 70 -31.846 7.390 1.317 377 H ASN 71 H ASN 71 -29.445 4.542 -0.695 378 HA ASN 71 HA ASN 71 -28.108 4.485 1.931 379 1HB ASN 71 2HB ASN 71 -30.037 2.796 1.394 380 2HB ASN 71 3HB ASN 71 -28.800 1.974 0.446 381 1HD2 ASN 71 1HD2 ASN 71 -29.767 2.982 3.641 382 2HD2 ASN 71 2HD2 ASN 71 -28.715 1.921 4.508 383 H SER 72 H SER 72 -27.684 4.614 -1.380 384 HA SER 72 HA SER 72 -24.966 3.493 -1.174 385 1HB SER 72 2HB SER 72 -26.701 3.740 -3.644 386 2HB SER 72 3HB SER 72 -25.071 3.069 -3.592 387 HG SER 72 HG SER 72 -27.025 1.602 -3.450 388 HN2 GLY 73 H GLY 73 -26.589 5.679 -3.472 389 1HA GLY 73 2HA GLY 73 -25.914 7.687 -4.362 390 2HA GLY 73 3HA GLY 73 -25.435 8.072 -2.715 391 H LYS 74 H LYS 74 -24.363 6.880 -5.818 392 HA LYS 74 HA LYS 74 -21.692 7.821 -5.287 393 1HB LYS 74 2HB LYS 74 -20.552 5.722 -5.687 394 2HB LYS 74 3HB LYS 74 -21.645 5.542 -4.321 395 1HG LYS 74 2HG LYS 74 -23.172 4.797 -6.508 396 2HG LYS 74 3HG LYS 74 -21.576 4.120 -6.837 397 1HD LYS 74 2HD LYS 74 -21.999 3.588 -4.148 398 2HD LYS 74 3HD LYS 74 -23.574 3.309 -4.895 399 1HE LYS 74 2HE LYS 74 -22.803 1.583 -6.195 400 2HE LYS 74 3HE LYS 74 -21.149 2.194 -6.216 401 1HZ LYS 74 1HZ LYS 74 -22.464 0.994 -3.840 402 2HZ LYS 74 2HZ LYS 74 -20.845 1.464 -3.967 403 3HZ LYS 74 3HZ LYS 74 -21.421 0.161 -4.879 404 H ALA 75 H ALA 75 -20.252 7.114 -7.296 405 HA ALA 75 HA ALA 75 -21.584 6.708 -9.772 406 1HB ALA 75 1HB ALA 75 -22.383 8.830 -9.906 407 2HB ALA 75 2HB ALA 75 -21.114 9.494 -8.875 408 3HB ALA 75 3HB ALA 75 -20.770 9.113 -10.562 409 H TYR 76 H TYR 76 -19.974 7.518 -11.633 410 HA TYR 76 HA TYR 76 -17.196 7.163 -10.814 411 1HB TYR 76 2HB TYR 76 -18.191 5.488 -13.088 412 2HB TYR 76 3HB TYR 76 -16.776 5.253 -12.068 413 HD1 TYR 76 HD1 TYR 76 -20.431 4.856 -12.272 414 HD2 TYR 76 HD2 TYR 76 -16.928 4.061 -9.991 415 HE1 TYR 76 HE1 TYR 76 -21.698 3.261 -10.894 416 HE2 TYR 76 HE2 TYR 76 -18.185 2.462 -8.608 417 HH TYR 76 HH TYR 76 -20.139 1.168 -8.604 418 H ILE 77 H ILE 77 -15.910 8.505 -11.892 419 HA ILE 77 HA ILE 77 -16.944 9.739 -14.356 420 HB ILE 77 HB ILE 77 -14.757 10.819 -12.582 421 1HG1 ILE 77 2HG1 ILE 77 -17.702 11.512 -12.618 422 2HG1 ILE 77 3HG1 ILE 77 -16.849 10.693 -11.314 423 1HG2 ILE 77 1HG2 ILE 77 -14.594 12.539 -14.007 424 2HG2 ILE 77 2HG2 ILE 77 -15.398 11.468 -15.153 425 3HG2 ILE 77 3HG2 ILE 77 -16.340 12.641 -14.233 426 1HD1 ILE 77 1HD1 ILE 77 -15.369 12.853 -11.354 427 2HD1 ILE 77 2HD1 ILE 77 -16.799 13.552 -12.115 428 3HD1 ILE 77 3HD1 ILE 77 -16.918 12.826 -10.513 429 H VAL 78 H VAL 78 -16.109 8.875 -16.134 430 HA VAL 78 HA VAL 78 -13.490 7.622 -16.096 431 HB VAL 78 HB VAL 78 -15.329 7.934 -18.467 432 1HG1 VAL 78 1HG1 VAL 78 -13.827 5.516 -18.432 433 2HG1 VAL 78 2HG1 VAL 78 -13.747 6.850 -19.584 434 3HG1 VAL 78 3HG1 VAL 78 -12.728 6.865 -18.144 435 1HG2 VAL 78 1HG2 VAL 78 -16.217 5.729 -17.934 436 2HG2 VAL 78 2HG2 VAL 78 -15.235 5.673 -16.469 437 3HG2 VAL 78 3HG2 VAL 78 -16.531 6.860 -16.618 438 H PHE 79 H PHE 79 -11.669 8.575 -16.715 439 HA PHE 79 HA PHE 79 -11.853 11.135 -18.151 440 1HB PHE 79 2HB PHE 79 -9.817 10.032 -16.227 441 2HB PHE 79 3HB PHE 79 -9.440 11.389 -17.284 442 HD1 PHE 79 HD1 PHE 79 -10.668 13.517 -17.046 443 HD2 PHE 79 HD2 PHE 79 -11.187 10.298 -14.311 444 HE1 PHE 79 HE1 PHE 79 -11.689 15.062 -15.426 445 HE2 PHE 79 HE2 PHE 79 -12.210 11.837 -12.687 446 HZ PHE 79 HZ PHE 79 -12.463 14.223 -13.244 447 H ALA 80 H ALA 80 -9.635 11.556 -19.361 448 HA ALA 80 HA ALA 80 -9.582 9.790 -21.555 449 1HB ALA 80 1HB ALA 80 -8.425 12.305 -20.862 450 2HB ALA 80 2HB ALA 80 -7.175 11.260 -21.541 451 3HB ALA 80 3HB ALA 80 -8.646 11.586 -22.458 452 H THR 81 H THR 81 -7.640 10.008 -18.648 453 HA THR 81 HA THR 81 -6.708 7.349 -18.884 454 HB THR 81 HB THR 81 -4.204 8.642 -18.854 455 HG1 THR 81 HG1 THR 81 -4.273 10.091 -20.409 456 1HG2 THR 81 1HG2 THR 81 -5.338 7.201 -21.233 457 2HG2 THR 81 2HG2 THR 81 -4.977 6.349 -19.732 458 3HG2 THR 81 3HG2 THR 81 -3.690 7.178 -20.607 459 H GLN 82 H GLN 82 -5.123 6.801 -17.150 460 HA GLN 82 HA GLN 82 -5.958 7.669 -14.668 461 1HB GLN 82 2HB GLN 82 -4.405 5.664 -15.447 462 2HB GLN 82 3HB GLN 82 -3.129 6.773 -14.963 463 1HG GLN 82 2HG GLN 82 -5.342 6.390 -13.047 464 2HG GLN 82 3HG GLN 82 -4.262 5.020 -13.300 465 1HE2 GLN 82 1HE2 GLN 82 -3.437 5.165 -11.219 466 2HE2 GLN 82 2HE2 GLN 82 -2.351 6.422 -10.743 467 H GLU 83 H GLU 83 -3.518 9.019 -16.767 468 HA GLU 83 HA GLU 83 -2.096 10.596 -14.975 469 1HB GLU 83 2HB GLU 83 -2.630 10.654 -17.882 470 2HB GLU 83 3HB GLU 83 -2.112 12.177 -17.172 471 1HG GLU 83 2HG GLU 83 -0.614 9.614 -16.738 472 2HG GLU 83 3HG GLU 83 -0.309 10.670 -18.117 473 H SER 84 H SER 84 -4.979 11.471 -16.873 474 HA SER 84 HA SER 84 -5.247 14.029 -15.633 475 1HB SER 84 2HB SER 84 -6.659 12.476 -17.682 476 2HB SER 84 3HB SER 84 -7.727 13.473 -16.695 477 HG SER 84 HG SER 84 -5.956 15.141 -17.169 478 H ALA 85 H ALA 85 -6.881 10.906 -15.249 479 HA ALA 85 HA ALA 85 -8.844 11.616 -13.433 480 1HB ALA 85 1HB ALA 85 -7.851 9.079 -12.656 481 2HB ALA 85 2HB ALA 85 -9.270 9.450 -13.636 482 3HB ALA 85 3HB ALA 85 -7.704 9.203 -14.409 483 H GLN 86 H GLN 86 -5.586 10.370 -12.673 484 HA GLN 86 HA GLN 86 -5.713 10.549 -9.919 485 1HB GLN 86 2HB GLN 86 -3.857 9.452 -10.963 486 2HB GLN 86 3HB GLN 86 -3.371 10.930 -11.783 487 1HG GLN 86 2HG GLN 86 -2.269 11.715 -9.998 488 2HG GLN 86 3HG GLN 86 -3.477 11.121 -8.860 489 1HE2 GLN 86 1HE2 GLN 86 -0.647 10.286 -10.728 490 2HE2 GLN 86 2HE2 GLN 86 -0.215 8.886 -9.813 491 H ALA 87 H ALA 87 -4.817 13.050 -12.259 492 HA ALA 87 HA ALA 87 -4.034 15.036 -10.456 493 1HB ALA 87 1HB ALA 87 -3.851 14.969 -13.024 494 2HB ALA 87 2HB ALA 87 -5.463 15.684 -13.008 495 3HB ALA 87 3HB ALA 87 -4.118 16.526 -12.239 496 H PHE 88 H PHE 88 -7.228 14.414 -11.898 497 HA PHE 88 HA PHE 88 -8.548 16.525 -10.559 498 1HB PHE 88 2HB PHE 88 -9.582 15.628 -12.510 499 2HB PHE 88 3HB PHE 88 -9.556 13.994 -11.855 500 HD1 PHE 88 HD1 PHE 88 -11.159 13.305 -10.161 501 HD2 PHE 88 HD2 PHE 88 -11.268 17.208 -11.856 502 HE1 PHE 88 HE1 PHE 88 -13.432 13.623 -9.274 503 HE2 PHE 88 HE2 PHE 88 -13.540 17.533 -10.970 504 HZ PHE 88 HZ PHE 88 -14.625 15.740 -9.677 505 H VAL 89 H VAL 89 -7.955 13.159 -9.743 506 HA VAL 89 HA VAL 89 -9.705 12.950 -7.554 507 HB VAL 89 HB VAL 89 -7.088 11.521 -8.038 508 1HG1 VAL 89 1HG1 VAL 89 -8.991 11.428 -5.827 509 2HG1 VAL 89 2HG1 VAL 89 -8.664 9.849 -6.545 510 3HG1 VAL 89 3HG1 VAL 89 -7.335 10.829 -5.925 511 1HG2 VAL 89 1HG2 VAL 89 -9.302 11.397 -9.577 512 2HG2 VAL 89 2HG2 VAL 89 -8.187 10.049 -9.350 513 3HG2 VAL 89 3HG2 VAL 89 -9.666 10.141 -8.394 514 H GLU 90 H GLU 90 -6.286 13.892 -7.726 515 HA GLU 90 HA GLU 90 -6.149 14.397 -4.889 516 1HB GLU 90 2HB GLU 90 -4.151 15.169 -7.018 517 2HB GLU 90 3HB GLU 90 -3.863 15.045 -5.289 518 1HG GLU 90 2HG GLU 90 -4.677 12.703 -6.983 519 2HG GLU 90 3HG GLU 90 -2.997 13.152 -6.698 520 H ALA 91 H ALA 91 -6.963 16.163 -7.723 521 HA ALA 91 HA ALA 91 -6.396 18.774 -6.689 522 1HB ALA 91 1HB ALA 91 -8.082 17.873 -9.019 523 2HB ALA 91 2HB ALA 91 -7.720 19.557 -8.638 524 3HB ALA 91 3HB ALA 91 -6.416 18.451 -9.068 525 H PHE 92 H PHE 92 -9.001 16.534 -6.409 526 HA PHE 92 HA PHE 92 -10.579 18.578 -4.992 527 1HB PHE 92 2HB PHE 92 -11.536 16.389 -6.834 528 2HB PHE 92 3HB PHE 92 -12.606 17.202 -5.696 529 HD1 PHE 92 HD1 PHE 92 -10.088 18.085 -8.307 530 HD2 PHE 92 HD2 PHE 92 -13.838 18.961 -6.492 531 HE1 PHE 92 HE1 PHE 92 -10.459 19.881 -9.947 532 HE2 PHE 92 HE2 PHE 92 -14.215 20.757 -8.130 533 HZ PHE 92 HZ PHE 92 -12.525 21.219 -9.861 534 H GLN 93 H GLN 93 -8.686 16.048 -4.500 535 HA GLN 93 HA GLN 93 -10.002 14.119 -3.067 536 1HB GLN 93 2HB GLN 93 -7.690 13.819 -3.422 537 2HB GLN 93 3HB GLN 93 -7.289 15.359 -2.673 538 1HG GLN 93 2HG GLN 93 -6.669 13.499 -1.245 539 2HG GLN 93 3HG GLN 93 -7.925 14.484 -0.496 540 1HE2 GLN 93 1HE2 GLN 93 -7.913 11.835 -2.861 541 2HE2 GLN 93 2HE2 GLN 93 -9.056 10.851 -2.018 542 HN2 GLY 94 H GLY 94 -9.198 17.386 -2.068 543 1HA GLY 94 2HA GLY 94 -10.801 16.940 0.369 544 2HA GLY 94 3HA GLY 94 -9.276 17.811 0.442 545 H TYR 95 H TYR 95 -12.256 17.887 -1.520 546 HA TYR 95 HA TYR 95 -12.375 20.787 -1.037 547 1HB TYR 95 2HB TYR 95 -11.530 20.476 -3.291 548 2HB TYR 95 3HB TYR 95 -12.844 19.367 -3.667 549 HD1 TYR 95 HD1 TYR 95 -11.828 22.833 -3.425 550 HD2 TYR 95 HD2 TYR 95 -15.170 20.237 -3.861 551 HE1 TYR 95 HE1 TYR 95 -13.185 24.724 -4.221 552 HE2 TYR 95 HE2 TYR 95 -16.536 22.120 -4.659 553 HH TYR 95 HH TYR 95 -15.176 25.146 -5.512 554 HA PRO 96 HA PRO 96 -16.496 19.893 0.266 555 1HB PRO 96 2HB PRO 96 -17.457 22.432 0.233 556 2HB PRO 96 3HB PRO 96 -16.359 21.837 1.484 557 1HG PRO 96 2HG PRO 96 -15.752 23.473 -0.948 558 2HG PRO 96 3HG PRO 96 -15.139 23.657 0.705 559 1HD PRO 96 2HD PRO 96 -13.699 22.472 -1.259 560 2HD PRO 96 3HD PRO 96 -13.571 21.987 0.444 561 H PHE 97 H PHE 97 -17.550 18.773 -1.317 562 HA PHE 97 HA PHE 97 -18.924 20.383 -3.353 563 1HB PHE 97 2HB PHE 97 -17.070 19.287 -4.486 564 2HB PHE 97 3HB PHE 97 -17.551 17.730 -3.821 565 HD1 PHE 97 HD1 PHE 97 -18.501 16.328 -5.353 566 HD2 PHE 97 HD2 PHE 97 -19.247 20.507 -5.655 567 HE1 PHE 97 HE1 PHE 97 -19.925 15.928 -7.320 568 HE2 PHE 97 HE2 PHE 97 -20.673 20.114 -7.622 569 HZ PHE 97 HZ PHE 97 -21.014 17.822 -8.456 570 H GLN 98 H GLN 98 -20.959 19.603 -4.007 571 HA GLN 98 HA GLN 98 -23.018 18.708 -3.644 572 1HB GLN 98 2HB GLN 98 -21.168 16.408 -3.177 573 2HB GLN 98 3HB GLN 98 -22.877 16.208 -2.814 574 1HG GLN 98 2HG GLN 98 -22.638 17.418 -5.375 575 2HG GLN 98 3HG GLN 98 -21.571 16.016 -5.310 576 1HE2 GLN 98 1HE2 GLN 98 -22.608 14.482 -6.390 577 2HE2 GLN 98 2HE2 GLN 98 -24.228 13.963 -6.089 578 HN2 GLY 99 H GLY 99 -21.574 20.075 -1.420 579 1HA GLY 99 2HA GLY 99 -23.106 20.540 0.542 580 2HA GLY 99 3HA GLY 99 -22.965 18.817 0.861 581 H ASN 100 H ASN 100 -20.453 18.162 0.769 582 HA ASN 100 HA ASN 100 -18.516 19.952 1.672 583 1HB ASN 100 2HB ASN 100 -20.429 19.263 3.689 584 2HB ASN 100 3HB ASN 100 -18.873 18.559 4.119 585 1HD2 ASN 100 1HD2 ASN 100 -17.033 20.272 3.423 586 2HD2 ASN 100 2HD2 ASN 100 -17.262 21.819 4.157 587 HA PRO 101 HA PRO 101 -17.041 15.468 2.673 588 1HB PRO 101 2HB PRO 101 -18.886 13.481 2.548 589 2HB PRO 101 3HB PRO 101 -18.560 14.397 4.024 590 1HG PRO 101 2HG PRO 101 -20.769 14.738 2.033 591 2HG PRO 101 3HG PRO 101 -20.842 14.783 3.804 592 1HD PRO 101 2HD PRO 101 -20.812 17.027 2.290 593 2HD PRO 101 3HD PRO 101 -20.080 16.956 3.906 594 H LEU 102 H LEU 102 -15.925 15.399 0.782 595 HA LEU 102 HA LEU 102 -17.256 14.091 -1.494 596 1HB LEU 102 2HB LEU 102 -17.057 16.358 -2.136 597 2HB LEU 102 3HB LEU 102 -15.414 16.466 -1.506 598 HG LEU 102 HG LEU 102 -14.738 14.852 -3.326 599 1HD1 LEU 102 1HD1 LEU 102 -17.578 14.887 -3.760 600 2HD1 LEU 102 2HD1 LEU 102 -16.345 13.857 -4.486 601 3HD1 LEU 102 3HD1 LEU 102 -16.725 15.420 -5.209 602 1HD2 LEU 102 1HD2 LEU 102 -15.271 16.783 -5.125 603 2HD2 LEU 102 2HD2 LEU 102 -13.999 16.901 -3.909 604 3HD2 LEU 102 3HD2 LEU 102 -15.563 17.665 -3.626 605 H VAL 103 H VAL 103 -16.296 12.266 -2.078 606 HA VAL 103 HA VAL 103 -13.440 11.911 -1.435 607 HB VAL 103 HB VAL 103 -14.964 10.498 -0.051 608 1HG1 VAL 103 1HG1 VAL 103 -16.373 10.150 -2.360 609 2HG1 VAL 103 2HG1 VAL 103 -15.496 8.624 -2.236 610 3HG1 VAL 103 3HG1 VAL 103 -16.537 9.154 -0.914 611 1HG2 VAL 103 1HG2 VAL 103 -13.556 8.664 -0.094 612 2HG2 VAL 103 2HG2 VAL 103 -13.407 8.687 -1.851 613 3HG2 VAL 103 3HG2 VAL 103 -12.572 9.899 -0.879 614 H ILE 104 H ILE 104 -12.116 11.218 -3.023 615 HA ILE 104 HA ILE 104 -13.302 10.227 -5.517 616 HB ILE 104 HB ILE 104 -11.304 11.645 -6.578 617 1HG1 ILE 104 2HG1 ILE 104 -10.940 12.534 -4.130 618 2HG1 ILE 104 3HG1 ILE 104 -10.793 13.627 -5.501 619 1HG2 ILE 104 1HG2 ILE 104 -13.479 11.818 -7.449 620 2HG2 ILE 104 2HG2 ILE 104 -14.111 12.512 -5.956 621 3HG2 ILE 104 3HG2 ILE 104 -13.039 13.462 -6.985 622 1HD1 ILE 104 1HD1 ILE 104 -13.440 13.355 -4.183 623 2HD1 ILE 104 2HD1 ILE 104 -12.175 14.282 -3.376 624 3HD1 ILE 104 3HD1 ILE 104 -12.714 14.744 -4.990 625 H THR 105 H THR 105 -12.347 8.425 -6.178 626 HA THR 105 HA THR 105 -9.495 8.020 -5.706 627 HB THR 105 HB THR 105 -10.018 5.622 -4.976 628 HG1 THR 105 HG1 THR 105 -12.050 5.133 -4.676 629 1HG2 THR 105 1HG2 THR 105 -9.551 7.924 -3.545 630 2HG2 THR 105 2HG2 THR 105 -9.518 6.285 -2.892 631 3HG2 THR 105 3HG2 THR 105 -10.983 7.259 -2.759 632 H PHE 106 H PHE 106 -8.789 5.886 -6.774 633 HA PHE 106 HA PHE 106 -9.762 5.943 -9.489 634 1HB PHE 106 2HB PHE 106 -7.634 4.176 -8.265 635 2HB PHE 106 3HB PHE 106 -7.909 4.448 -9.983 636 HD1 PHE 106 HD1 PHE 106 -6.371 5.690 -6.964 637 HD2 PHE 106 HD2 PHE 106 -7.432 6.675 -10.967 638 HE1 PHE 106 HE1 PHE 106 -4.807 7.589 -6.908 639 HE2 PHE 106 HE2 PHE 106 -5.870 8.575 -10.917 640 HZ PHE 106 HZ PHE 106 -4.554 9.034 -8.886 641 H SER 107 H SER 107 -9.804 3.616 -10.567 642 HA SER 107 HA SER 107 -11.336 1.763 -8.894 643 1HB SER 107 2HB SER 107 -12.634 3.481 -10.587 644 2HB SER 107 3HB SER 107 -12.417 2.064 -11.614 645 HG SER 107 HG SER 107 -13.969 1.166 -10.544 646 H GLU 108 H GLU 108 -12.015 -0.135 -10.662 647 HA GLU 108 HA GLU 108 -9.422 -0.986 -11.771 648 1HB GLU 108 2HB GLU 108 -11.690 -2.578 -10.581 649 2HB GLU 108 3HB GLU 108 -10.404 -3.322 -11.521 650 1HG GLU 108 2HG GLU 108 -8.841 -2.102 -9.837 651 2HG GLU 108 3HG GLU 108 -10.287 -2.044 -8.831 652 H THR 109 H THR 109 -9.289 -1.667 -13.848 653 HA THR 109 HA THR 109 -11.782 -1.796 -15.409 654 HB THR 109 HB THR 109 -10.659 -0.701 -17.296 655 HG1 THR 109 HG1 THR 109 -8.532 -0.860 -17.134 656 1HG2 THR 109 1HG2 THR 109 -11.694 0.519 -15.082 657 2HG2 THR 109 2HG2 THR 109 -11.246 1.348 -16.572 658 3HG2 THR 109 3HG2 THR 109 -10.118 1.297 -15.218 659 HA PRO 110 HA PRO 110 -9.137 -5.591 -16.016 660 1HB PRO 110 2HB PRO 110 -11.147 -7.365 -15.584 661 2HB PRO 110 3HB PRO 110 -10.151 -6.706 -14.281 662 1HG PRO 110 2HG PRO 110 -12.886 -5.882 -15.177 663 2HG PRO 110 3HG PRO 110 -12.263 -6.088 -13.529 664 1HD PRO 110 2HD PRO 110 -12.505 -3.660 -14.702 665 2HD PRO 110 3HD PRO 110 -11.225 -4.030 -13.530 666 H GLN 111 H GLN 111 -9.720 -7.501 -17.504 667 HA GLN 111 HA GLN 111 -11.371 -6.523 -19.740 668 1HB GLN 111 2HB GLN 111 -9.790 -7.688 -21.260 669 2HB GLN 111 3HB GLN 111 -9.049 -6.363 -20.372 670 1HG GLN 111 2HG GLN 111 -7.847 -7.802 -18.988 671 2HG GLN 111 3HG GLN 111 -8.861 -9.186 -19.394 672 1HE2 GLN 111 1HE2 GLN 111 -6.626 -10.080 -19.685 673 2HE2 GLN 111 2HE2 GLN 111 -5.926 -9.949 -21.258 674 H SER 112 H SER 112 -12.438 -8.104 -17.721 675 HA SER 112 HA SER 112 -12.462 -10.847 -18.695 676 1HB SER 112 2HB SER 112 -13.542 -11.428 -16.690 677 2HB SER 112 3HB SER 112 -12.442 -10.136 -16.210 678 HG SER 112 HG SER 112 -14.285 -9.449 -15.361 679 H GLN 113 H GLN 113 -14.400 -7.976 -18.791 680 HA GLN 113 HA GLN 113 -16.890 -9.146 -19.418 681 1HB GLN 113 2HB GLN 113 -17.433 -6.884 -20.357 682 2HB GLN 113 3HB GLN 113 -16.840 -6.866 -18.702 683 1HG GLN 113 2HG GLN 113 -15.195 -5.499 -19.253 684 2HG GLN 113 3HG GLN 113 -14.639 -6.607 -20.506 685 1HE2 GLN 113 1HE2 GLN 113 -14.745 -3.683 -20.473 686 2HE2 GLN 113 2HE2 GLN 113 -15.690 -3.228 -21.845 687 H VAL 114 H VAL 114 -14.045 -8.529 -21.293 688 HA VAL 114 HA VAL 114 -15.479 -9.123 -23.786 689 HB VAL 114 HB VAL 114 -13.527 -8.326 -24.970 690 1HG1 VAL 114 1HG1 VAL 114 -13.461 -5.972 -24.123 691 2HG1 VAL 114 2HG1 VAL 114 -15.084 -6.618 -24.372 692 3HG1 VAL 114 3HG1 VAL 114 -14.418 -6.505 -22.742 693 1HG2 VAL 114 1HG2 VAL 114 -11.508 -8.491 -24.061 694 2HG2 VAL 114 2HG2 VAL 114 -11.927 -7.192 -22.945 695 3HG2 VAL 114 3HG2 VAL 114 -12.213 -8.872 -22.490 696 H ALA 115 H ALA 115 -14.728 -11.090 -21.666 697 HA ALA 115 HA ALA 115 -12.596 -12.679 -22.737 698 1HB ALA 115 1HB ALA 115 -12.923 -14.100 -20.943 699 2HB ALA 115 2HB ALA 115 -13.478 -12.554 -20.300 700 3HB ALA 115 3HB ALA 115 -14.649 -13.753 -20.848 701 H GLU 116 H GLU 116 -16.132 -12.819 -22.815 702 HA GLU 116 HA GLU 116 -16.449 -15.298 -24.037 703 1HB GLU 116 2HB GLU 116 -18.639 -14.503 -24.754 704 2HB GLU 116 3HB GLU 116 -18.310 -13.995 -23.103 705 1HG GLU 116 2HG GLU 116 -17.505 -11.796 -24.171 706 2HG GLU 116 3HG GLU 116 -18.377 -12.351 -25.599 707 H ASP 117 H ASP 117 -15.652 -12.171 -25.413 708 HA ASP 117 HA ASP 117 -15.142 -13.505 -27.983 709 1HB ASP 117 2HB ASP 117 -17.284 -11.985 -27.808 710 2HB ASP 117 3HB ASP 117 -16.116 -10.675 -27.957 Start of MODEL 7 1 H THR 22 H THR 22 6.928 -2.518 -3.154 2 HA THR 22 HA THR 22 4.753 -0.729 -3.547 3 HB THR 22 HB THR 22 7.626 -0.205 -4.309 4 HG1 THR 22 HG1 THR 22 7.869 -0.726 -2.225 5 1HG2 THR 22 1HG2 THR 22 5.195 1.438 -3.882 6 2HG2 THR 22 2HG2 THR 22 6.543 1.677 -4.994 7 3HG2 THR 22 3HG2 THR 22 6.721 2.095 -3.291 8 HA PRO 23 HA PRO 23 4.891 -2.307 -7.939 9 1HB PRO 23 2HB PRO 23 2.210 -2.677 -8.157 10 2HB PRO 23 3HB PRO 23 3.303 -3.917 -7.530 11 1HG PRO 23 2HG PRO 23 1.556 -2.000 -6.034 12 2HG PRO 23 3HG PRO 23 1.835 -3.726 -5.736 13 1HD PRO 23 2HD PRO 23 3.065 -1.783 -4.307 14 2HD PRO 23 3HD PRO 23 3.835 -3.344 -4.655 15 HA PRO 24 HA PRO 24 3.922 2.001 -8.888 16 1HB PRO 24 2HB PRO 24 5.211 1.996 -11.278 17 2HB PRO 24 3HB PRO 24 6.052 2.176 -9.733 18 1HG PRO 24 2HG PRO 24 5.717 -0.264 -11.436 19 2HG PRO 24 3HG PRO 24 7.160 0.317 -10.585 20 1HD PRO 24 2HD PRO 24 5.598 -1.669 -9.613 21 2HD PRO 24 3HD PRO 24 6.462 -0.531 -8.559 22 H HIS 25 H HIS 25 1.657 1.402 -9.111 23 HA HIS 25 HA HIS 25 -0.295 1.145 -10.256 24 1HB HIS 25 2HB HIS 25 1.370 2.284 -12.512 25 2HB HIS 25 3HB HIS 25 -0.389 2.202 -12.485 26 HD1 HIS 25 HD1 HIS 25 1.953 4.669 -12.241 27 HD2 HIS 25 HD2 HIS 25 -1.102 3.522 -9.670 28 HE1 HIS 25 HE1 HIS 25 1.484 6.685 -10.813 29 H THR 26 H THR 26 -0.395 -1.109 -10.179 30 HA THR 26 HA THR 26 0.922 -2.921 -11.802 31 HB THR 26 HB THR 26 -1.207 -4.356 -11.479 32 HG1 THR 26 HG1 THR 26 -2.642 -3.545 -9.936 33 1HG2 THR 26 1HG2 THR 26 -0.360 -5.095 -9.489 34 2HG2 THR 26 2HG2 THR 26 -0.174 -3.467 -8.838 35 3HG2 THR 26 3HG2 THR 26 0.991 -4.088 -10.007 36 H GLU 27 H GLU 27 -2.197 -1.315 -12.377 37 HA GLU 27 HA GLU 27 -1.817 -1.722 -15.245 38 1HB GLU 27 2HB GLU 27 -4.333 -2.297 -15.351 39 2HB GLU 27 3HB GLU 27 -3.204 -3.559 -14.880 40 1HG GLU 27 2HG GLU 27 -4.105 -3.770 -12.855 41 2HG GLU 27 3HG GLU 27 -4.221 -2.026 -12.623 42 HA PRO 28 HA PRO 28 -3.353 2.369 -15.627 43 1HB PRO 28 2HB PRO 28 -4.657 2.256 -18.006 44 2HB PRO 28 3HB PRO 28 -2.895 2.216 -17.874 45 1HG PRO 28 2HG PRO 28 -4.817 -0.048 -18.246 46 2HG PRO 28 3HG PRO 28 -3.258 0.238 -19.040 47 1HD PRO 28 2HD PRO 28 -3.547 -1.495 -16.980 48 2HD PRO 28 3HD PRO 28 -2.054 -0.573 -17.250 49 H SER 29 H SER 29 -5.279 3.695 -15.720 50 HA SER 29 HA SER 29 -7.860 2.397 -15.550 51 1HB SER 29 2HB SER 29 -7.294 4.132 -13.207 52 2HB SER 29 3HB SER 29 -8.313 2.698 -13.330 53 HG SER 29 HG SER 29 -6.617 1.434 -12.961 54 H GLN 30 H GLN 30 -8.778 3.625 -17.090 55 HA GLN 30 HA GLN 30 -8.401 6.519 -17.054 56 1HB GLN 30 2HB GLN 30 -10.012 4.947 -19.056 57 2HB GLN 30 3HB GLN 30 -9.308 6.548 -19.246 58 1HG GLN 30 2HG GLN 30 -7.049 5.395 -18.989 59 2HG GLN 30 3HG GLN 30 -7.929 3.888 -19.241 60 1HE2 GLN 30 1HE2 GLN 30 -6.035 4.376 -20.996 61 2HE2 GLN 30 2HE2 GLN 30 -6.675 4.900 -22.513 62 H VAL 31 H VAL 31 -10.107 4.852 -15.144 63 HA VAL 31 HA VAL 31 -12.464 6.588 -15.312 64 HB VAL 31 HB VAL 31 -13.991 4.796 -14.788 65 1HG1 VAL 31 1HG1 VAL 31 -12.863 5.197 -17.217 66 2HG1 VAL 31 2HG1 VAL 31 -12.581 3.468 -16.999 67 3HG1 VAL 31 3HG1 VAL 31 -14.221 4.113 -16.919 68 1HG2 VAL 31 1HG2 VAL 31 -11.551 3.380 -14.152 69 2HG2 VAL 31 2HG2 VAL 31 -13.212 3.030 -13.674 70 3HG2 VAL 31 3HG2 VAL 31 -12.593 2.430 -15.212 71 H VAL 32 H VAL 32 -13.373 7.149 -13.340 72 HA VAL 32 HA VAL 32 -11.950 6.204 -10.940 73 HB VAL 32 HB VAL 32 -11.978 8.403 -9.986 74 1HG1 VAL 32 1HG1 VAL 32 -10.984 8.514 -12.832 75 2HG1 VAL 32 2HG1 VAL 32 -10.511 9.615 -11.537 76 3HG1 VAL 32 3HG1 VAL 32 -10.093 7.904 -11.438 77 1HG2 VAL 32 1HG2 VAL 32 -13.910 8.916 -12.118 78 2HG2 VAL 32 2HG2 VAL 32 -13.729 9.686 -10.542 79 3HG2 VAL 32 3HG2 VAL 32 -12.731 10.209 -11.898 80 H LEU 33 H LEU 33 -13.177 5.745 -9.180 81 HA LEU 33 HA LEU 33 -16.086 5.980 -9.518 82 1HB LEU 33 2HB LEU 33 -15.712 3.748 -9.198 83 2HB LEU 33 3HB LEU 33 -14.302 4.020 -8.175 84 HG LEU 33 HG LEU 33 -15.735 4.568 -6.297 85 1HD1 LEU 33 1HD1 LEU 33 -17.676 4.995 -8.320 86 2HD1 LEU 33 2HD1 LEU 33 -17.802 5.304 -6.589 87 3HD1 LEU 33 3HD1 LEU 33 -18.275 3.735 -7.241 88 1HD2 LEU 33 1HD2 LEU 33 -16.784 2.044 -7.551 89 2HD2 LEU 33 2HD2 LEU 33 -16.559 2.401 -5.838 90 3HD2 LEU 33 3HD2 LEU 33 -15.156 2.179 -6.885 91 H ILE 34 H ILE 34 -17.155 7.396 -8.318 92 HA ILE 34 HA ILE 34 -15.864 8.427 -5.879 93 HB ILE 34 HB ILE 34 -17.239 10.449 -6.161 94 1HG1 ILE 34 2HG1 ILE 34 -18.829 8.914 -7.761 95 2HG1 ILE 34 3HG1 ILE 34 -18.870 10.673 -7.711 96 1HG2 ILE 34 1HG2 ILE 34 -15.018 10.525 -7.028 97 2HG2 ILE 34 2HG2 ILE 34 -15.501 9.670 -8.492 98 3HG2 ILE 34 3HG2 ILE 34 -16.075 11.312 -8.201 99 1HD1 ILE 34 1HD1 ILE 34 -18.791 9.685 -9.994 100 2HD1 ILE 34 2HD1 ILE 34 -17.495 10.830 -9.645 101 3HD1 ILE 34 3HD1 ILE 34 -17.170 9.097 -9.623 102 H THR 35 H THR 35 -17.089 8.714 -4.008 103 HA THR 35 HA THR 35 -19.840 7.738 -3.991 104 HB THR 35 HB THR 35 -19.517 6.131 -2.266 105 HG1 THR 35 HG1 THR 35 -17.938 6.466 -0.909 106 1HG2 THR 35 1HG2 THR 35 -17.194 5.660 -4.124 107 2HG2 THR 35 2HG2 THR 35 -18.872 5.494 -4.639 108 3HG2 THR 35 3HG2 THR 35 -18.237 4.464 -3.356 109 H ASN 36 H ASN 36 -20.460 7.729 -1.414 110 HA ASN 36 HA ASN 36 -20.967 9.031 0.381 111 1HB ASN 36 2HB ASN 36 -18.155 9.352 -0.015 112 2HB ASN 36 3HB ASN 36 -18.830 10.907 0.461 113 1HD2 ASN 36 1HD2 ASN 36 -17.673 10.729 2.423 114 2HD2 ASN 36 2HD2 ASN 36 -18.252 9.727 3.706 115 H ILE 37 H ILE 37 -21.595 9.841 -2.426 116 HA ILE 37 HA ILE 37 -21.679 12.748 -2.251 117 HB ILE 37 HB ILE 37 -22.761 12.594 -4.507 118 1HG1 ILE 37 2HG1 ILE 37 -22.009 9.671 -4.321 119 2HG1 ILE 37 3HG1 ILE 37 -23.654 10.276 -4.157 120 1HG2 ILE 37 1HG2 ILE 37 -20.698 11.954 -5.677 121 2HG2 ILE 37 2HG2 ILE 37 -20.379 12.987 -4.285 122 3HG2 ILE 37 3HG2 ILE 37 -20.081 11.252 -4.182 123 1HD1 ILE 37 1HD1 ILE 37 -23.640 9.686 -6.356 124 2HD1 ILE 37 2HD1 ILE 37 -23.129 11.369 -6.486 125 3HD1 ILE 37 3HD1 ILE 37 -21.934 10.076 -6.567 126 H ASN 38 H ASN 38 -23.512 13.954 -2.001 127 HA ASN 38 HA ASN 38 -25.715 12.729 -0.672 128 1HB ASN 38 2HB ASN 38 -24.677 15.331 -0.923 129 2HB ASN 38 3HB ASN 38 -26.307 15.402 -1.588 130 1HD2 ASN 38 1HD2 ASN 38 -27.965 14.218 -0.197 131 2HD2 ASN 38 2HD2 ASN 38 -27.872 14.515 1.503 132 HA PRO 39 HA PRO 39 -27.851 11.675 -4.463 133 1HB PRO 39 2HB PRO 39 -29.908 10.396 -3.238 134 2HB PRO 39 3HB PRO 39 -28.320 9.656 -3.471 135 1HG PRO 39 2HG PRO 39 -29.458 10.970 -1.034 136 2HG PRO 39 3HG PRO 39 -28.518 9.472 -1.162 137 1HD PRO 39 2HD PRO 39 -27.416 11.822 -0.391 138 2HD PRO 39 3HD PRO 39 -26.510 10.595 -1.300 139 H GLU 40 H GLU 40 -28.740 13.783 -1.968 140 HA GLU 40 HA GLU 40 -31.398 14.367 -2.416 141 1HB GLU 40 2HB GLU 40 -29.067 16.050 -1.562 142 2HB GLU 40 3HB GLU 40 -30.643 16.788 -1.806 143 1HG GLU 40 2HG GLU 40 -31.573 15.101 -0.201 144 2HG GLU 40 3HG GLU 40 -29.912 14.628 0.151 145 H VAL 41 H VAL 41 -28.626 15.122 -4.377 146 HA VAL 41 HA VAL 41 -30.217 16.860 -6.115 147 HB VAL 41 HB VAL 41 -28.022 17.711 -5.551 148 1HG1 VAL 41 1HG1 VAL 41 -26.870 15.653 -5.050 149 2HG1 VAL 41 2HG1 VAL 41 -26.977 15.142 -6.736 150 3HG1 VAL 41 3HG1 VAL 41 -25.980 16.528 -6.295 151 1HG2 VAL 41 1HG2 VAL 41 -28.793 18.323 -7.724 152 2HG2 VAL 41 2HG2 VAL 41 -27.076 17.946 -7.861 153 3HG2 VAL 41 3HG2 VAL 41 -28.281 16.779 -8.405 154 HA PRO 42 HA PRO 42 -30.984 13.539 -8.931 155 1HB PRO 42 2HB PRO 42 -31.794 15.043 -11.041 156 2HB PRO 42 3HB PRO 42 -32.805 14.760 -9.618 157 1HG PRO 42 2HG PRO 42 -31.119 17.137 -10.300 158 2HG PRO 42 3HG PRO 42 -32.758 17.085 -9.625 159 1HD PRO 42 2HD PRO 42 -30.566 17.531 -8.098 160 2HD PRO 42 3HD PRO 42 -31.999 16.679 -7.487 161 H LYS 43 H LYS 43 -29.979 12.515 -10.629 162 HA LYS 43 HA LYS 43 -27.330 12.968 -11.173 163 1HB LYS 43 2HB LYS 43 -28.291 10.863 -11.745 164 2HB LYS 43 3HB LYS 43 -29.446 11.612 -12.840 165 1HG LYS 43 2HG LYS 43 -26.574 12.009 -13.432 166 2HG LYS 43 3HG LYS 43 -27.243 10.396 -13.688 167 1HD LYS 43 2HD LYS 43 -29.136 12.098 -14.788 168 2HD LYS 43 3HD LYS 43 -27.591 12.820 -15.245 169 1HE LYS 43 2HE LYS 43 -27.738 11.358 -16.960 170 2HE LYS 43 3HE LYS 43 -27.067 10.238 -15.776 171 1HZ LYS 43 1HZ LYS 43 -29.801 10.430 -16.812 172 2HZ LYS 43 2HZ LYS 43 -29.586 9.888 -15.224 173 3HZ LYS 43 3HZ LYS 43 -28.858 9.059 -16.506 174 H GLU 44 H GLU 44 -30.137 14.322 -12.792 175 HA GLU 44 HA GLU 44 -28.978 15.359 -15.081 176 1HB GLU 44 2HB GLU 44 -31.364 15.920 -13.478 177 2HB GLU 44 3HB GLU 44 -30.765 17.324 -14.350 178 1HG GLU 44 2HG GLU 44 -30.720 15.784 -16.399 179 2HG GLU 44 3HG GLU 44 -31.741 14.714 -15.440 180 H LYS 45 H LYS 45 -29.302 16.937 -11.905 181 HA LYS 45 HA LYS 45 -27.662 19.164 -12.730 182 1HB LYS 45 2HB LYS 45 -29.322 18.464 -10.409 183 2HB LYS 45 3HB LYS 45 -27.873 19.376 -10.006 184 1HG LYS 45 2HG LYS 45 -29.051 21.196 -10.484 185 2HG LYS 45 3HG LYS 45 -28.894 20.729 -12.179 186 1HD LYS 45 2HD LYS 45 -31.167 20.920 -12.045 187 2HD LYS 45 3HD LYS 45 -30.989 19.226 -11.583 188 1HE LYS 45 2HE LYS 45 -31.590 19.613 -9.436 189 2HE LYS 45 3HE LYS 45 -30.809 21.193 -9.391 190 1HZ LYS 45 1HZ LYS 45 -33.378 21.020 -9.326 191 2HZ LYS 45 2HZ LYS 45 -33.242 20.828 -11.000 192 3HZ LYS 45 3HZ LYS 45 -32.648 22.228 -10.259 193 H LEU 46 H LEU 46 -27.348 16.445 -10.463 194 HA LEU 46 HA LEU 46 -24.852 16.989 -9.422 195 1HB LEU 46 2HB LEU 46 -25.929 15.207 -8.431 196 2HB LEU 46 3HB LEU 46 -26.348 14.469 -9.976 197 HG LEU 46 HG LEU 46 -23.471 14.536 -9.439 198 1HD1 LEU 46 1HD1 LEU 46 -25.163 12.712 -7.749 199 2HD1 LEU 46 2HD1 LEU 46 -24.468 14.216 -7.147 200 3HD1 LEU 46 3HD1 LEU 46 -23.412 12.921 -7.712 201 1HD2 LEU 46 1HD2 LEU 46 -24.590 11.939 -9.808 202 2HD2 LEU 46 2HD2 LEU 46 -23.595 12.885 -10.915 203 3HD2 LEU 46 3HD2 LEU 46 -25.351 13.057 -10.940 204 H GLN 47 H GLN 47 -25.513 14.853 -12.207 205 HA GLN 47 HA GLN 47 -22.921 14.347 -12.975 206 1HB GLN 47 2HB GLN 47 -25.031 13.359 -13.947 207 2HB GLN 47 3HB GLN 47 -25.186 14.820 -14.913 208 1HG GLN 47 2HG GLN 47 -22.621 14.058 -15.445 209 2HG GLN 47 3HG GLN 47 -23.442 12.508 -15.267 210 1HE2 GLN 47 1HE2 GLN 47 -23.227 15.448 -17.103 211 2HE2 GLN 47 2HE2 GLN 47 -24.161 14.913 -18.455 212 H ALA 48 H ALA 48 -24.972 17.072 -13.965 213 HA ALA 48 HA ALA 48 -23.305 18.306 -15.777 214 1HB ALA 48 1HB ALA 48 -24.655 20.144 -15.598 215 2HB ALA 48 2HB ALA 48 -25.696 18.923 -14.865 216 3HB ALA 48 3HB ALA 48 -24.774 20.025 -13.842 217 H LEU 49 H LEU 49 -23.223 18.475 -12.250 218 HA LEU 49 HA LEU 49 -21.165 20.448 -12.139 219 1HB LEU 49 2HB LEU 49 -22.842 19.059 -10.307 220 2HB LEU 49 3HB LEU 49 -21.172 18.875 -9.777 221 HG LEU 49 HG LEU 49 -22.093 20.757 -8.648 222 1HD1 LEU 49 1HD1 LEU 49 -20.521 22.013 -10.867 223 2HD1 LEU 49 2HD1 LEU 49 -19.768 20.889 -9.735 224 3HD1 LEU 49 3HD1 LEU 49 -20.501 22.379 -9.142 225 1HD2 LEU 49 1HD2 LEU 49 -23.770 21.906 -9.534 226 2HD2 LEU 49 2HD2 LEU 49 -23.510 21.134 -11.099 227 3HD2 LEU 49 3HD2 LEU 49 -22.647 22.618 -10.692 228 H LEU 50 H LEU 50 -21.215 16.919 -11.720 229 HA LEU 50 HA LEU 50 -18.537 16.518 -11.124 230 1HB LEU 50 2HB LEU 50 -20.291 14.726 -12.795 231 2HB LEU 50 3HB LEU 50 -18.834 14.250 -11.926 232 HG LEU 50 HG LEU 50 -21.544 14.923 -10.828 233 1HD1 LEU 50 1HD1 LEU 50 -21.338 12.776 -9.763 234 2HD1 LEU 50 2HD1 LEU 50 -19.678 12.608 -10.335 235 3HD1 LEU 50 3HD1 LEU 50 -21.013 12.598 -11.487 236 1HD2 LEU 50 1HD2 LEU 50 -20.108 14.462 -8.603 237 2HD2 LEU 50 2HD2 LEU 50 -20.458 16.077 -9.220 238 3HD2 LEU 50 3HD2 LEU 50 -18.905 15.316 -9.570 239 H TYR 51 H TYR 51 -20.116 16.747 -14.287 240 HA TYR 51 HA TYR 51 -17.721 16.277 -15.769 241 1HB TYR 51 2HB TYR 51 -19.998 15.835 -16.664 242 2HB TYR 51 3HB TYR 51 -20.295 17.569 -16.694 243 HD1 TYR 51 HD1 TYR 51 -18.853 19.015 -18.190 244 HD2 TYR 51 HD2 TYR 51 -18.881 14.767 -18.440 245 HE1 TYR 51 HE1 TYR 51 -17.876 19.147 -20.444 246 HE2 TYR 51 HE2 TYR 51 -17.903 14.888 -20.694 247 HH TYR 51 HH TYR 51 -16.519 16.518 -22.015 248 H ALA 52 H ALA 52 -19.403 19.120 -14.590 249 HA ALA 52 HA ALA 52 -18.104 21.089 -16.085 250 1HB ALA 52 1HB ALA 52 -19.792 22.068 -14.959 251 2HB ALA 52 2HB ALA 52 -19.622 21.003 -13.563 252 3HB ALA 52 3HB ALA 52 -18.537 22.379 -13.759 253 H LEU 53 H LEU 53 -17.268 19.774 -12.882 254 HA LEU 53 HA LEU 53 -14.905 21.300 -12.583 255 1HB LEU 53 2HB LEU 53 -15.453 18.630 -11.313 256 2HB LEU 53 3HB LEU 53 -14.425 19.926 -10.705 257 HG LEU 53 HG LEU 53 -17.396 20.266 -11.002 258 1HD1 LEU 53 1HD1 LEU 53 -17.664 18.704 -9.431 259 2HD1 LEU 53 2HD1 LEU 53 -16.949 19.877 -8.326 260 3HD1 LEU 53 3HD1 LEU 53 -15.938 18.640 -9.072 261 1HD2 LEU 53 1HD2 LEU 53 -15.425 22.069 -10.491 262 2HD2 LEU 53 2HD2 LEU 53 -15.897 21.593 -8.859 263 3HD2 LEU 53 3HD2 LEU 53 -17.103 22.239 -9.974 264 H ALA 54 H ALA 54 -15.348 17.853 -13.389 265 HA ALA 54 HA ALA 54 -12.708 17.192 -13.862 266 1HB ALA 54 1HB ALA 54 -14.091 15.363 -13.862 267 2HB ALA 54 2HB ALA 54 -15.303 16.140 -14.881 268 3HB ALA 54 3HB ALA 54 -13.800 15.551 -15.591 269 H SER 55 H SER 55 -15.062 18.621 -16.089 270 HA SER 55 HA SER 55 -13.635 18.512 -18.450 271 1HB SER 55 2HB SER 55 -15.934 19.289 -18.396 272 2HB SER 55 3HB SER 55 -15.469 20.705 -17.454 273 HG SER 55 HG SER 55 -14.598 20.109 -20.090 274 H SER 56 H SER 56 -13.143 20.547 -15.676 275 HA SER 56 HA SER 56 -11.362 22.363 -17.047 276 1HB SER 56 2HB SER 56 -12.898 22.755 -14.915 277 2HB SER 56 3HB SER 56 -11.453 22.203 -14.066 278 HG SER 56 HG SER 56 -11.536 24.325 -15.952 279 H GLN 57 H GLN 57 -11.126 19.509 -15.039 280 HA GLN 57 HA GLN 57 -8.262 19.749 -14.717 281 1HB GLN 57 2HB GLN 57 -10.336 17.771 -13.847 282 2HB GLN 57 3HB GLN 57 -8.635 17.327 -13.800 283 1HG GLN 57 2HG GLN 57 -8.269 18.521 -11.963 284 2HG GLN 57 3HG GLN 57 -9.134 19.919 -12.598 285 1HE2 GLN 57 1HE2 GLN 57 -11.576 19.596 -12.656 286 2HE2 GLN 57 2HE2 GLN 57 -12.282 18.897 -11.242 287 HN2 GLY 58 H GLY 58 -10.138 16.955 -15.872 288 1HA GLY 58 2HA GLY 58 -8.246 16.749 -18.131 289 2HA GLY 58 3HA GLY 58 -8.703 15.344 -17.179 290 H ASP 59 H ASP 59 -9.037 15.300 -19.886 291 HA ASP 59 HA ASP 59 -11.630 16.134 -20.712 292 1HB ASP 59 2HB ASP 59 -9.674 14.147 -21.877 293 2HB ASP 59 3HB ASP 59 -11.198 14.574 -22.651 294 H ILE 60 H ILE 60 -13.550 15.126 -20.604 295 HA ILE 60 HA ILE 60 -13.639 12.558 -19.191 296 HB ILE 60 HB ILE 60 -15.909 14.477 -19.722 297 1HG1 ILE 60 2HG1 ILE 60 -15.466 14.583 -17.040 298 2HG1 ILE 60 3HG1 ILE 60 -13.821 14.392 -17.636 299 1HG2 ILE 60 1HG2 ILE 60 -17.247 12.900 -18.921 300 2HG2 ILE 60 2HG2 ILE 60 -15.876 11.795 -18.857 301 3HG2 ILE 60 3HG2 ILE 60 -16.276 12.785 -17.453 302 1HD1 ILE 60 1HD1 ILE 60 -15.402 16.732 -17.528 303 2HD1 ILE 60 2HD1 ILE 60 -13.751 16.544 -18.119 304 3HD1 ILE 60 3HD1 ILE 60 -15.110 16.352 -19.226 305 H LEU 61 H LEU 61 -14.432 10.747 -20.098 306 HA LEU 61 HA LEU 61 -15.221 10.898 -22.917 307 1HB LEU 61 2HB LEU 61 -14.660 8.360 -21.435 308 2HB LEU 61 3HB LEU 61 -14.523 8.691 -23.160 309 HG LEU 61 HG LEU 61 -12.645 9.573 -20.974 310 1HD1 LEU 61 1HD1 LEU 61 -12.582 7.526 -23.137 311 2HD1 LEU 61 2HD1 LEU 61 -12.018 7.426 -21.469 312 3HD1 LEU 61 3HD1 LEU 61 -11.080 8.321 -22.665 313 1HD2 LEU 61 1HD2 LEU 61 -13.028 10.549 -23.747 314 2HD2 LEU 61 2HD2 LEU 61 -11.372 10.314 -23.188 315 3HD2 LEU 61 3HD2 LEU 61 -12.453 11.399 -22.313 316 H ASP 62 H ASP 62 -16.371 9.973 -19.763 317 HA ASP 62 HA ASP 62 -19.070 10.119 -20.443 318 1HB ASP 62 2HB ASP 62 -18.963 8.151 -21.722 319 2HB ASP 62 3HB ASP 62 -17.878 7.361 -20.581 320 H ILE 63 H ILE 63 -20.063 10.572 -18.596 321 HA ILE 63 HA ILE 63 -18.856 9.616 -16.090 322 HB ILE 63 HB ILE 63 -20.740 11.943 -16.484 323 1HG1 ILE 63 2HG1 ILE 63 -17.739 11.865 -16.113 324 2HG1 ILE 63 3HG1 ILE 63 -18.607 12.413 -17.543 325 1HG2 ILE 63 1HG2 ILE 63 -19.088 11.198 -14.077 326 2HG2 ILE 63 2HG2 ILE 63 -20.254 12.514 -14.204 327 3HG2 ILE 63 3HG2 ILE 63 -20.805 10.839 -14.258 328 1HD1 ILE 63 1HD1 ILE 63 -19.679 14.074 -15.773 329 2HD1 ILE 63 2HD1 ILE 63 -18.138 13.778 -14.966 330 3HD1 ILE 63 3HD1 ILE 63 -18.164 14.421 -16.607 331 H VAL 64 H VAL 64 -19.849 7.877 -15.311 332 HA VAL 64 HA VAL 64 -22.683 7.441 -15.816 333 HB VAL 64 HB VAL 64 -20.661 5.686 -14.416 334 1HG1 VAL 64 1HG1 VAL 64 -22.619 4.006 -15.142 335 2HG1 VAL 64 2HG1 VAL 64 -22.563 4.798 -13.566 336 3HG1 VAL 64 3HG1 VAL 64 -23.575 5.459 -14.851 337 1HG2 VAL 64 1HG2 VAL 64 -21.816 5.539 -17.199 338 2HG2 VAL 64 2HG2 VAL 64 -20.159 5.974 -16.780 339 3HG2 VAL 64 3HG2 VAL 64 -20.748 4.341 -16.468 340 H VAL 65 H VAL 65 -24.255 7.284 -14.239 341 HA VAL 65 HA VAL 65 -23.493 7.915 -11.478 342 HB VAL 65 HB VAL 65 -25.718 9.344 -12.940 343 1HG1 VAL 65 1HG1 VAL 65 -25.997 10.629 -10.942 344 2HG1 VAL 65 2HG1 VAL 65 -26.054 8.921 -10.502 345 3HG1 VAL 65 3HG1 VAL 65 -24.596 9.864 -10.192 346 1HG2 VAL 65 1HG2 VAL 65 -24.217 11.359 -12.491 347 2HG2 VAL 65 2HG2 VAL 65 -22.924 10.189 -12.227 348 3HG2 VAL 65 3HG2 VAL 65 -23.735 10.269 -13.791 349 H ASP 66 H ASP 66 -24.559 6.738 -10.011 350 HA ASP 66 HA ASP 66 -26.249 4.625 -10.778 351 1HB ASP 66 2HB ASP 66 -24.828 5.257 -8.520 352 2HB ASP 66 3HB ASP 66 -26.489 5.481 -7.978 353 H LEU 67 H LEU 67 -28.270 4.649 -8.816 354 HA LEU 67 HA LEU 67 -30.166 6.442 -10.113 355 1HB LEU 67 2HB LEU 67 -31.830 5.124 -8.720 356 2HB LEU 67 3HB LEU 67 -30.978 4.255 -9.995 357 HG LEU 67 HG LEU 67 -31.321 3.116 -7.702 358 1HD1 LEU 67 1HD1 LEU 67 -29.951 1.722 -8.749 359 2HD1 LEU 67 2HD1 LEU 67 -28.597 2.599 -8.036 360 3HD1 LEU 67 3HD1 LEU 67 -29.192 3.045 -9.635 361 1HD2 LEU 67 1HD2 LEU 67 -29.650 3.565 -6.039 362 2HD2 LEU 67 2HD2 LEU 67 -30.500 5.067 -6.401 363 3HD2 LEU 67 3HD2 LEU 67 -28.890 4.782 -7.065 364 H SER 68 H SER 68 -28.095 7.194 -7.993 365 HA SER 68 HA SER 68 -27.930 8.528 -6.151 366 1HB SER 68 2HB SER 68 -28.941 10.165 -7.608 367 2HB SER 68 3HB SER 68 -30.550 9.514 -7.300 368 HG SER 68 HG SER 68 -29.608 11.474 -6.056 369 H ASP 69 H ASP 69 -28.494 6.208 -5.199 370 HA ASP 69 HA ASP 69 -30.989 6.034 -3.796 371 1HB ASP 69 2HB ASP 69 -28.802 4.294 -4.381 372 2HB ASP 69 3HB ASP 69 -29.057 4.293 -2.638 373 H ASP 70 H ASP 70 -31.339 6.189 -1.566 374 HA ASP 70 HA ASP 70 -29.814 8.230 -0.262 375 1HB ASP 70 2HB ASP 70 -32.325 6.775 0.228 376 2HB ASP 70 3HB ASP 70 -31.456 7.241 1.687 377 H ASN 71 H ASN 71 -29.330 4.965 -0.607 378 HA ASN 71 HA ASN 71 -27.803 4.819 1.910 379 1HB ASN 71 2HB ASN 71 -28.045 2.244 1.416 380 2HB ASN 71 3HB ASN 71 -29.350 3.127 2.203 381 1HD2 ASN 71 1HD2 ASN 71 -28.359 1.371 -0.561 382 2HD2 ASN 71 2HD2 ASN 71 -29.864 1.417 -1.409 383 H SER 72 H SER 72 -27.638 4.905 -1.449 384 HA SER 72 HA SER 72 -24.958 3.682 -1.446 385 1HB SER 72 2HB SER 72 -27.186 3.411 -3.245 386 2HB SER 72 3HB SER 72 -25.807 4.086 -4.111 387 HG SER 72 HG SER 72 -26.199 1.567 -3.214 388 HN2 GLY 73 H GLY 73 -26.592 6.030 -3.568 389 1HA GLY 73 2HA GLY 73 -25.839 8.012 -4.460 390 2HA GLY 73 3HA GLY 73 -25.294 8.340 -2.822 391 H LYS 74 H LYS 74 -24.369 7.117 -5.968 392 HA LYS 74 HA LYS 74 -21.630 7.911 -5.472 393 1HB LYS 74 2HB LYS 74 -20.708 5.717 -6.190 394 2HB LYS 74 3HB LYS 74 -21.543 5.647 -4.644 395 1HG LYS 74 2HG LYS 74 -23.521 4.726 -5.773 396 2HG LYS 74 3HG LYS 74 -22.642 4.756 -7.303 397 1HD LYS 74 2HD LYS 74 -21.916 2.706 -6.818 398 2HD LYS 74 3HD LYS 74 -20.947 3.431 -5.532 399 1HE LYS 74 2HE LYS 74 -23.362 3.271 -4.320 400 2HE LYS 74 3HE LYS 74 -23.438 1.867 -5.385 401 1HZ LYS 74 1HZ LYS 74 -20.957 1.701 -4.308 402 2HZ LYS 74 2HZ LYS 74 -22.311 0.835 -3.783 403 3HZ LYS 74 3HZ LYS 74 -21.878 2.276 -3.010 404 H ALA 75 H ALA 75 -20.292 7.236 -7.563 405 HA ALA 75 HA ALA 75 -21.713 7.077 -10.018 406 1HB ALA 75 1HB ALA 75 -20.815 9.445 -10.725 407 2HB ALA 75 2HB ALA 75 -22.376 9.266 -9.924 408 3HB ALA 75 3HB ALA 75 -20.963 9.771 -8.998 409 H TYR 76 H TYR 76 -20.097 7.903 -11.871 410 HA TYR 76 HA TYR 76 -17.329 7.323 -11.163 411 1HB TYR 76 2HB TYR 76 -18.543 5.823 -13.463 412 2HB TYR 76 3HB TYR 76 -17.062 5.479 -12.576 413 HD1 TYR 76 HD1 TYR 76 -17.092 4.157 -10.584 414 HD2 TYR 76 HD2 TYR 76 -20.742 5.273 -12.465 415 HE1 TYR 76 HE1 TYR 76 -18.304 2.544 -9.177 416 HE2 TYR 76 HE2 TYR 76 -21.963 3.664 -11.063 417 HH TYR 76 HH TYR 76 -21.805 2.378 -9.171 418 H ILE 77 H ILE 77 -15.990 8.633 -12.217 419 HA ILE 77 HA ILE 77 -17.009 10.038 -14.595 420 HB ILE 77 HB ILE 77 -14.756 10.935 -12.801 421 1HG1 ILE 77 2HG1 ILE 77 -17.670 11.748 -12.782 422 2HG1 ILE 77 3HG1 ILE 77 -16.825 10.873 -11.511 423 1HG2 ILE 77 1HG2 ILE 77 -14.609 12.810 -14.070 424 2HG2 ILE 77 2HG2 ILE 77 -15.213 11.712 -15.309 425 3HG2 ILE 77 3HG2 ILE 77 -16.324 12.801 -14.480 426 1HD1 ILE 77 1HD1 ILE 77 -16.913 13.729 -12.089 427 2HD1 ILE 77 2HD1 ILE 77 -16.576 12.881 -10.580 428 3HD1 ILE 77 3HD1 ILE 77 -15.293 13.110 -11.768 429 H VAL 78 H VAL 78 -16.301 8.982 -16.350 430 HA VAL 78 HA VAL 78 -13.697 7.730 -16.419 431 HB VAL 78 HB VAL 78 -15.672 8.074 -18.678 432 1HG1 VAL 78 1HG1 VAL 78 -14.218 6.992 -19.965 433 2HG1 VAL 78 2HG1 VAL 78 -13.028 7.172 -18.675 434 3HG1 VAL 78 3HG1 VAL 78 -14.021 5.717 -18.763 435 1HG2 VAL 78 1HG2 VAL 78 -16.437 5.820 -18.152 436 2HG2 VAL 78 2HG2 VAL 78 -15.345 5.758 -16.769 437 3HG2 VAL 78 3HG2 VAL 78 -16.688 6.901 -16.781 438 H PHE 79 H PHE 79 -11.879 8.670 -17.059 439 HA PHE 79 HA PHE 79 -12.055 11.225 -18.504 440 1HB PHE 79 2HB PHE 79 -9.970 10.077 -16.656 441 2HB PHE 79 3HB PHE 79 -9.620 11.443 -17.711 442 HD1 PHE 79 HD1 PHE 79 -10.854 13.572 -17.418 443 HD2 PHE 79 HD2 PHE 79 -11.229 10.340 -14.673 444 HE1 PHE 79 HE1 PHE 79 -11.800 15.107 -15.744 445 HE2 PHE 79 HE2 PHE 79 -12.177 11.870 -12.996 446 HZ PHE 79 HZ PHE 79 -12.465 14.257 -13.530 447 H ALA 80 H ALA 80 -9.792 11.574 -19.726 448 HA ALA 80 HA ALA 80 -9.869 9.839 -21.951 449 1HB ALA 80 1HB ALA 80 -9.087 11.832 -22.659 450 2HB ALA 80 2HB ALA 80 -8.284 12.184 -21.128 451 3HB ALA 80 3HB ALA 80 -7.520 11.107 -22.297 452 H THR 81 H THR 81 -7.690 10.078 -19.182 453 HA THR 81 HA THR 81 -6.909 7.340 -19.446 454 HB THR 81 HB THR 81 -4.418 8.811 -19.463 455 HG1 THR 81 HG1 THR 81 -5.678 8.895 -21.973 456 1HG2 THR 81 1HG2 THR 81 -3.750 7.129 -20.972 457 2HG2 THR 81 2HG2 THR 81 -5.404 6.839 -21.510 458 3HG2 THR 81 3HG2 THR 81 -4.901 6.340 -19.895 459 H GLN 82 H GLN 82 -5.149 6.801 -17.797 460 HA GLN 82 HA GLN 82 -5.966 7.509 -15.259 461 1HB GLN 82 2HB GLN 82 -4.244 5.682 -16.224 462 2HB GLN 82 3HB GLN 82 -3.093 6.844 -15.576 463 1HG GLN 82 2HG GLN 82 -5.177 6.375 -13.669 464 2HG GLN 82 3HG GLN 82 -4.483 4.843 -14.197 465 1HE2 GLN 82 1HE2 GLN 82 -3.169 8.085 -13.594 466 2HE2 GLN 82 2HE2 GLN 82 -1.925 7.566 -12.514 467 H GLU 83 H GLU 83 -3.690 9.107 -17.367 468 HA GLU 83 HA GLU 83 -2.317 10.700 -15.549 469 1HB GLU 83 2HB GLU 83 -2.878 10.763 -18.428 470 2HB GLU 83 3HB GLU 83 -2.596 12.350 -17.725 471 1HG GLU 83 2HG GLU 83 -0.723 10.052 -17.273 472 2HG GLU 83 3HG GLU 83 -0.590 11.116 -18.672 473 H SER 84 H SER 84 -5.320 11.443 -17.312 474 HA SER 84 HA SER 84 -5.715 13.930 -15.968 475 1HB SER 84 2HB SER 84 -7.153 12.319 -17.979 476 2HB SER 84 3HB SER 84 -8.180 13.322 -16.955 477 HG SER 84 HG SER 84 -5.879 14.352 -18.234 478 H ALA 85 H ALA 85 -7.118 10.690 -15.645 479 HA ALA 85 HA ALA 85 -9.051 11.200 -13.733 480 1HB ALA 85 1HB ALA 85 -7.928 8.934 -14.915 481 2HB ALA 85 2HB ALA 85 -7.738 8.698 -13.177 482 3HB ALA 85 3HB ALA 85 -9.338 9.001 -13.856 483 H GLN 86 H GLN 86 -5.634 10.346 -13.219 484 HA GLN 86 HA GLN 86 -5.688 10.364 -10.420 485 1HB GLN 86 2HB GLN 86 -3.815 9.392 -11.544 486 2HB GLN 86 3HB GLN 86 -3.454 10.899 -12.377 487 1HG GLN 86 2HG GLN 86 -2.736 11.929 -10.346 488 2HG GLN 86 3HG GLN 86 -3.289 10.552 -9.395 489 1HE2 GLN 86 1HE2 GLN 86 -1.343 10.031 -8.512 490 2HE2 GLN 86 2HE2 GLN 86 -0.004 9.436 -9.428 491 H ALA 87 H ALA 87 -5.019 12.958 -12.737 492 HA ALA 87 HA ALA 87 -4.267 14.949 -10.936 493 1HB ALA 87 1HB ALA 87 -4.578 16.483 -12.673 494 2HB ALA 87 2HB ALA 87 -4.190 14.970 -13.493 495 3HB ALA 87 3HB ALA 87 -5.862 15.525 -13.412 496 H PHE 88 H PHE 88 -7.487 14.036 -12.111 497 HA PHE 88 HA PHE 88 -8.863 16.086 -10.700 498 1HB PHE 88 2HB PHE 88 -9.847 15.007 -12.661 499 2HB PHE 88 3HB PHE 88 -9.878 13.463 -11.815 500 HD1 PHE 88 HD1 PHE 88 -11.554 16.604 -12.366 501 HD2 PHE 88 HD2 PHE 88 -11.386 13.171 -9.855 502 HE1 PHE 88 HE1 PHE 88 -13.798 17.129 -11.505 503 HE2 PHE 88 HE2 PHE 88 -13.630 13.690 -8.991 504 HZ PHE 88 HZ PHE 88 -14.839 15.670 -9.816 505 H VAL 89 H VAL 89 -8.307 12.640 -10.057 506 HA VAL 89 HA VAL 89 -9.785 12.409 -7.709 507 HB VAL 89 HB VAL 89 -7.229 10.979 -8.453 508 1HG1 VAL 89 1HG1 VAL 89 -8.807 10.914 -6.049 509 2HG1 VAL 89 2HG1 VAL 89 -8.836 9.342 -6.851 510 3HG1 VAL 89 3HG1 VAL 89 -7.295 10.085 -6.419 511 1HG2 VAL 89 1HG2 VAL 89 -9.887 9.686 -8.636 512 2HG2 VAL 89 2HG2 VAL 89 -9.503 10.904 -9.852 513 3HG2 VAL 89 3HG2 VAL 89 -8.460 9.496 -9.654 514 H GLU 90 H GLU 90 -6.522 13.616 -8.237 515 HA GLU 90 HA GLU 90 -6.043 13.922 -5.391 516 1HB GLU 90 2HB GLU 90 -3.839 14.589 -5.972 517 2HB GLU 90 3HB GLU 90 -4.254 13.261 -7.046 518 1HG GLU 90 2HG GLU 90 -4.704 14.807 -8.846 519 2HG GLU 90 3HG GLU 90 -4.404 16.176 -7.776 520 H ALA 91 H ALA 91 -7.244 15.776 -8.023 521 HA ALA 91 HA ALA 91 -6.651 18.364 -6.975 522 1HB ALA 91 1HB ALA 91 -8.233 17.277 -9.223 523 2HB ALA 91 2HB ALA 91 -8.694 18.872 -8.626 524 3HB ALA 91 3HB ALA 91 -7.049 18.584 -9.193 525 H PHE 92 H PHE 92 -9.155 16.028 -6.451 526 HA PHE 92 HA PHE 92 -10.541 17.951 -4.700 527 1HB PHE 92 2HB PHE 92 -11.688 15.814 -6.490 528 2HB PHE 92 3HB PHE 92 -12.601 16.495 -5.147 529 HD1 PHE 92 HD1 PHE 92 -10.520 17.743 -7.986 530 HD2 PHE 92 HD2 PHE 92 -14.076 18.156 -5.685 531 HE1 PHE 92 HE1 PHE 92 -11.228 19.610 -9.423 532 HE2 PHE 92 HE2 PHE 92 -14.791 20.023 -7.118 533 HZ PHE 92 HZ PHE 92 -13.367 20.752 -8.991 534 H GLN 93 H GLN 93 -8.508 15.491 -4.595 535 HA GLN 93 HA GLN 93 -9.508 13.446 -3.082 536 1HB GLN 93 2HB GLN 93 -7.250 13.299 -3.750 537 2HB GLN 93 3HB GLN 93 -6.839 14.831 -2.991 538 1HG GLN 93 2HG GLN 93 -7.114 13.844 -0.793 539 2HG GLN 93 3HG GLN 93 -7.595 12.314 -1.525 540 1HE2 GLN 93 1HE2 GLN 93 -5.941 11.114 -0.693 541 2HE2 GLN 93 2HE2 GLN 93 -4.289 11.320 -1.154 542 HN2 GLY 94 H GLY 94 -8.781 16.719 -2.055 543 1HA GLY 94 2HA GLY 94 -10.080 16.113 0.517 544 2HA GLY 94 3HA GLY 94 -8.543 16.965 0.499 545 H TYR 95 H TYR 95 -11.768 17.171 -1.006 546 HA TYR 95 HA TYR 95 -11.838 20.011 -0.306 547 1HB TYR 95 2HB TYR 95 -11.035 20.010 -2.590 548 2HB TYR 95 3HB TYR 95 -12.322 18.915 -3.082 549 HD1 TYR 95 HD1 TYR 95 -14.672 19.728 -3.154 550 HD2 TYR 95 HD2 TYR 95 -11.407 22.356 -2.423 551 HE1 TYR 95 HE1 TYR 95 -16.105 21.651 -3.700 552 HE2 TYR 95 HE2 TYR 95 -12.831 24.286 -2.966 553 HH TYR 95 HH TYR 95 -15.105 24.512 -4.530 554 HA PRO 96 HA PRO 96 -15.922 18.904 0.948 555 1HB PRO 96 2HB PRO 96 -16.912 21.413 1.254 556 2HB PRO 96 3HB PRO 96 -15.783 20.680 2.399 557 1HG PRO 96 2HG PRO 96 -15.241 22.617 0.183 558 2HG PRO 96 3HG PRO 96 -14.598 22.599 1.835 559 1HD PRO 96 2HD PRO 96 -13.184 21.691 -0.287 560 2HD PRO 96 3HD PRO 96 -13.018 20.997 1.338 561 H PHE 97 H PHE 97 -16.975 17.975 -0.759 562 HA PHE 97 HA PHE 97 -18.364 19.816 -2.585 563 1HB PHE 97 2HB PHE 97 -16.523 18.723 -3.795 564 2HB PHE 97 3HB PHE 97 -17.154 17.145 -3.332 565 HD1 PHE 97 HD1 PHE 97 -18.277 16.022 -4.973 566 HD2 PHE 97 HD2 PHE 97 -18.470 20.273 -4.894 567 HE1 PHE 97 HE1 PHE 97 -19.685 15.992 -6.991 568 HE2 PHE 97 HE2 PHE 97 -19.879 20.250 -6.911 569 HZ PHE 97 HZ PHE 97 -20.489 18.108 -7.962 570 H GLN 98 H GLN 98 -20.450 19.228 -3.200 571 HA GLN 98 HA GLN 98 -22.532 18.365 -2.896 572 1HB GLN 98 2HB GLN 98 -20.759 15.971 -2.748 573 2HB GLN 98 3HB GLN 98 -22.450 15.781 -2.304 574 1HG GLN 98 2HG GLN 98 -21.463 16.878 -4.928 575 2HG GLN 98 3HG GLN 98 -22.002 15.222 -4.653 576 1HE2 GLN 98 1HE2 GLN 98 -24.204 15.540 -3.125 577 2HE2 GLN 98 2HE2 GLN 98 -25.420 16.410 -3.990 578 HN2 GLY 99 H GLY 99 -20.963 19.423 -0.578 579 1HA GLY 99 2HA GLY 99 -22.463 19.731 1.457 580 2HA GLY 99 3HA GLY 99 -22.333 17.984 1.603 581 H ASN 100 H ASN 100 -19.873 17.274 1.448 582 HA ASN 100 HA ASN 100 -17.852 18.938 2.405 583 1HB ASN 100 2HB ASN 100 -19.733 18.081 4.439 584 2HB ASN 100 3HB ASN 100 -18.109 17.496 4.788 585 1HD2 ASN 100 1HD2 ASN 100 -20.160 19.915 5.398 586 2HD2 ASN 100 2HD2 ASN 100 -19.047 21.206 5.686 587 HA PRO 101 HA PRO 101 -16.525 14.354 3.118 588 1HB PRO 101 2HB PRO 101 -18.445 12.445 2.925 589 2HB PRO 101 3HB PRO 101 -18.053 13.263 4.442 590 1HG PRO 101 2HG PRO 101 -20.290 13.796 2.525 591 2HG PRO 101 3HG PRO 101 -20.324 13.743 4.297 592 1HD PRO 101 2HD PRO 101 -20.242 16.068 2.911 593 2HD PRO 101 3HD PRO 101 -19.480 15.878 4.503 594 H LEU 102 H LEU 102 -15.543 14.663 1.110 595 HA LEU 102 HA LEU 102 -16.944 13.444 -1.179 596 1HB LEU 102 2HB LEU 102 -16.648 15.761 -1.626 597 2HB LEU 102 3HB LEU 102 -14.970 15.713 -1.089 598 HG LEU 102 HG LEU 102 -14.539 14.179 -3.072 599 1HD1 LEU 102 1HD1 LEU 102 -17.380 14.888 -3.508 600 2HD1 LEU 102 2HD1 LEU 102 -16.496 13.422 -3.930 601 3HD1 LEU 102 3HD1 LEU 102 -16.324 14.871 -4.921 602 1HD2 LEU 102 1HD2 LEU 102 -13.608 16.212 -3.446 603 2HD2 LEU 102 2HD2 LEU 102 -15.102 17.085 -3.104 604 3HD2 LEU 102 3HD2 LEU 102 -14.879 16.294 -4.665 605 H VAL 103 H VAL 103 -16.032 11.706 -2.065 606 HA VAL 103 HA VAL 103 -13.199 11.153 -1.467 607 HB VAL 103 HB VAL 103 -14.749 9.685 -0.176 608 1HG1 VAL 103 1HG1 VAL 103 -15.415 8.041 -2.505 609 2HG1 VAL 103 2HG1 VAL 103 -16.400 8.490 -1.111 610 3HG1 VAL 103 3HG1 VAL 103 -16.227 9.606 -2.467 611 1HG2 VAL 103 1HG2 VAL 103 -12.438 9.019 -0.894 612 2HG2 VAL 103 2HG2 VAL 103 -13.534 7.675 -0.576 613 3HG2 VAL 103 3HG2 VAL 103 -13.179 8.149 -2.237 614 H ILE 104 H ILE 104 -11.935 10.567 -3.141 615 HA ILE 104 HA ILE 104 -13.212 9.853 -5.687 616 HB ILE 104 HB ILE 104 -11.117 11.265 -6.617 617 1HG1 ILE 104 2HG1 ILE 104 -10.780 11.957 -4.113 618 2HG1 ILE 104 3HG1 ILE 104 -10.609 13.163 -5.383 619 1HG2 ILE 104 1HG2 ILE 104 -12.777 13.134 -6.973 620 2HG2 ILE 104 2HG2 ILE 104 -13.292 11.533 -7.503 621 3HG2 ILE 104 3HG2 ILE 104 -13.905 12.201 -5.990 622 1HD1 ILE 104 1HD1 ILE 104 -13.285 12.818 -4.160 623 2HD1 ILE 104 2HD1 ILE 104 -12.028 13.608 -3.207 624 3HD1 ILE 104 3HD1 ILE 104 -12.494 14.270 -4.774 625 H THR 105 H THR 105 -12.369 8.066 -6.517 626 HA THR 105 HA THR 105 -9.533 7.478 -6.155 627 HB THR 105 HB THR 105 -9.940 5.181 -5.434 628 HG1 THR 105 HG1 THR 105 -11.893 4.358 -5.468 629 1HG2 THR 105 1HG2 THR 105 -9.582 6.821 -3.688 630 2HG2 THR 105 2HG2 THR 105 -10.782 5.647 -3.150 631 3HG2 THR 105 3HG2 THR 105 -11.294 7.244 -3.693 632 H PHE 106 H PHE 106 -8.902 5.500 -7.458 633 HA PHE 106 HA PHE 106 -9.981 5.799 -10.111 634 1HB PHE 106 2HB PHE 106 -7.847 3.901 -9.110 635 2HB PHE 106 3HB PHE 106 -8.189 4.289 -10.794 636 HD1 PHE 106 HD1 PHE 106 -7.468 6.366 -11.764 637 HD2 PHE 106 HD2 PHE 106 -6.742 5.506 -7.659 638 HE1 PHE 106 HE1 PHE 106 -5.867 8.231 -11.660 639 HE2 PHE 106 HE2 PHE 106 -5.141 7.371 -7.548 640 HZ PHE 106 HZ PHE 106 -4.702 8.737 -9.550 641 H SER 107 H SER 107 -9.837 3.363 -11.261 642 HA SER 107 HA SER 107 -11.383 1.438 -9.750 643 1HB SER 107 2HB SER 107 -12.700 3.350 -11.416 644 2HB SER 107 3HB SER 107 -12.844 1.763 -12.173 645 HG SER 107 HG SER 107 -14.305 1.349 -10.739 646 H GLU 108 H GLU 108 -12.209 -0.275 -11.600 647 HA GLU 108 HA GLU 108 -9.716 -1.073 -12.917 648 1HB GLU 108 2HB GLU 108 -10.593 -3.309 -12.946 649 2HB GLU 108 3HB GLU 108 -10.820 -2.651 -11.332 650 1HG GLU 108 2HG GLU 108 -13.172 -1.986 -12.510 651 2HG GLU 108 3HG GLU 108 -12.794 -3.507 -13.315 652 H THR 109 H THR 109 -9.646 -1.696 -15.083 653 HA THR 109 HA THR 109 -12.020 -1.101 -16.707 654 HB THR 109 HB THR 109 -10.631 0.051 -18.380 655 HG1 THR 109 HG1 THR 109 -8.613 -0.933 -17.731 656 1HG2 THR 109 1HG2 THR 109 -11.249 1.041 -15.734 657 2HG2 THR 109 2HG2 THR 109 -11.391 1.848 -17.295 658 3HG2 THR 109 3HG2 THR 109 -9.860 1.881 -16.421 659 HA PRO 110 HA PRO 110 -10.012 -5.151 -17.829 660 1HB PRO 110 2HB PRO 110 -12.317 -6.585 -17.784 661 2HB PRO 110 3HB PRO 110 -11.322 -6.321 -16.347 662 1HG PRO 110 2HG PRO 110 -13.807 -4.897 -17.218 663 2HG PRO 110 3HG PRO 110 -13.349 -5.460 -15.600 664 1HD PRO 110 2HD PRO 110 -13.094 -2.877 -16.370 665 2HD PRO 110 3HD PRO 110 -11.982 -3.644 -15.218 666 H GLN 111 H GLN 111 -10.725 -6.645 -19.655 667 HA GLN 111 HA GLN 111 -12.602 -5.816 -21.579 668 1HB GLN 111 2HB GLN 111 -10.721 -4.016 -21.689 669 2HB GLN 111 3HB GLN 111 -9.809 -5.266 -22.525 670 1HG GLN 111 2HG GLN 111 -11.904 -5.436 -24.036 671 2HG GLN 111 3HG GLN 111 -12.287 -3.843 -23.384 672 1HE2 GLN 111 1HE2 GLN 111 -12.085 -3.212 -25.649 673 2HE2 GLN 111 2HE2 GLN 111 -10.519 -2.828 -26.269 674 H SER 112 H SER 112 -9.462 -7.372 -21.080 675 HA SER 112 HA SER 112 -9.798 -9.248 -23.208 676 1HB SER 112 2HB SER 112 -7.652 -8.412 -21.758 677 2HB SER 112 3HB SER 112 -7.969 -9.975 -21.006 678 HG SER 112 HG SER 112 -6.844 -9.442 -23.387 679 H GLN 113 H GLN 113 -10.711 -9.129 -19.867 680 HA GLN 113 HA GLN 113 -10.974 -11.797 -19.207 681 1HB GLN 113 2HB GLN 113 -12.572 -11.125 -17.558 682 2HB GLN 113 3HB GLN 113 -11.378 -9.841 -17.694 683 1HG GLN 113 2HG GLN 113 -13.181 -8.518 -17.764 684 2HG GLN 113 3HG GLN 113 -13.209 -8.976 -19.466 685 1HE2 GLN 113 1HE2 GLN 113 -14.447 -9.923 -16.294 686 2HE2 GLN 113 2HE2 GLN 113 -15.954 -10.540 -16.870 687 H VAL 114 H VAL 114 -12.930 -9.851 -21.335 688 HA VAL 114 HA VAL 114 -15.281 -11.287 -21.471 689 HB VAL 114 HB VAL 114 -15.578 -10.439 -23.719 690 1HG1 VAL 114 1HG1 VAL 114 -15.808 -8.879 -21.826 691 2HG1 VAL 114 2HG1 VAL 114 -14.120 -8.408 -22.030 692 3HG1 VAL 114 3HG1 VAL 114 -15.292 -8.070 -23.304 693 1HG2 VAL 114 1HG2 VAL 114 -13.561 -9.047 -24.625 694 2HG2 VAL 114 2HG2 VAL 114 -12.609 -10.133 -23.614 695 3HG2 VAL 114 3HG2 VAL 114 -13.627 -10.788 -24.896 696 H ALA 115 H ALA 115 -12.138 -12.087 -22.762 697 HA ALA 115 HA ALA 115 -12.767 -13.998 -24.660 698 1HB ALA 115 1HB ALA 115 -10.472 -14.377 -22.768 699 2HB ALA 115 2HB ALA 115 -10.567 -14.748 -24.490 700 3HB ALA 115 3HB ALA 115 -10.476 -13.070 -23.953 701 H GLU 116 H GLU 116 -12.942 -14.190 -21.186 702 HA GLU 116 HA GLU 116 -12.926 -16.937 -20.787 703 1HB GLU 116 2HB GLU 116 -13.997 -16.530 -18.706 704 2HB GLU 116 3HB GLU 116 -12.980 -15.131 -19.022 705 1HG GLU 116 2HG GLU 116 -15.107 -14.073 -20.005 706 2HG GLU 116 3HG GLU 116 -15.959 -15.358 -19.150 707 H ASP 117 H ASP 117 -15.438 -14.860 -22.041 708 HA ASP 117 HA ASP 117 -17.434 -16.968 -21.959 709 1HB ASP 117 2HB ASP 117 -17.453 -14.101 -22.214 710 2HB ASP 117 3HB ASP 117 -18.363 -14.822 -23.539 Start of MODEL 8 1 H THR 22 H THR 22 2.611 4.892 -2.007 2 HA THR 22 HA THR 22 4.918 3.848 -3.435 3 HB THR 22 HB THR 22 3.629 2.188 -1.265 4 HG1 THR 22 HG1 THR 22 6.224 3.363 -1.245 5 1HG2 THR 22 1HG2 THR 22 5.849 0.892 -1.717 6 2HG2 THR 22 2HG2 THR 22 5.807 1.736 -3.265 7 3HG2 THR 22 3HG2 THR 22 4.476 0.678 -2.801 8 HA PRO 23 HA PRO 23 0.735 2.950 -5.309 9 1HB PRO 23 2HB PRO 23 1.316 4.008 -7.741 10 2HB PRO 23 3HB PRO 23 0.664 4.967 -6.407 11 1HG PRO 23 2HG PRO 23 3.495 4.705 -7.346 12 2HG PRO 23 3HG PRO 23 2.610 6.160 -6.852 13 1HD PRO 23 2HD PRO 23 4.348 4.885 -5.213 14 2HD PRO 23 3HD PRO 23 2.911 5.734 -4.607 15 HA PRO 24 HA PRO 24 2.889 -0.696 -6.879 16 1HB PRO 24 2HB PRO 24 0.679 -2.272 -6.886 17 2HB PRO 24 3HB PRO 24 1.614 -1.936 -5.424 18 1HG PRO 24 2HG PRO 24 -0.930 -0.679 -6.376 19 2HG PRO 24 3HG PRO 24 -0.484 -1.201 -4.742 20 1HD PRO 24 2HD PRO 24 -0.370 1.388 -5.526 21 2HD PRO 24 3HD PRO 24 0.754 0.701 -4.337 22 H HIS 25 H HIS 25 2.447 -2.174 -8.742 23 HA HIS 25 HA HIS 25 1.308 -0.628 -10.956 24 1HB HIS 25 2HB HIS 25 3.627 -1.324 -11.241 25 2HB HIS 25 3HB HIS 25 3.180 -3.005 -10.965 26 HD1 HIS 25 HD1 HIS 25 1.747 -4.157 -12.870 27 HD2 HIS 25 HD2 HIS 25 3.312 -0.428 -13.824 28 HE1 HIS 25 HE1 HIS 25 1.564 -3.971 -15.372 29 H THR 26 H THR 26 -0.843 -1.069 -10.972 30 HA THR 26 HA THR 26 -1.597 -3.888 -11.377 31 HB THR 26 HB THR 26 -3.857 -3.171 -10.349 32 HG1 THR 26 HG1 THR 26 -3.411 -1.508 -8.666 33 1HG2 THR 26 1HG2 THR 26 -1.585 -3.271 -8.384 34 2HG2 THR 26 2HG2 THR 26 -2.035 -4.676 -9.350 35 3HG2 THR 26 3HG2 THR 26 -3.201 -3.960 -8.238 36 H GLU 27 H GLU 27 -0.985 -2.408 -13.542 37 HA GLU 27 HA GLU 27 -1.774 -1.778 -15.580 38 1HB GLU 27 2HB GLU 27 -4.470 -2.726 -14.603 39 2HB GLU 27 3HB GLU 27 -3.953 -2.540 -16.273 40 1HG GLU 27 2HG GLU 27 -3.070 -4.571 -16.318 41 2HG GLU 27 3HG GLU 27 -2.189 -4.299 -14.816 42 HA PRO 28 HA PRO 28 -3.311 2.308 -15.133 43 1HB PRO 28 2HB PRO 28 -4.270 2.780 -17.629 44 2HB PRO 28 3HB PRO 28 -2.543 2.699 -17.263 45 1HG PRO 28 2HG PRO 28 -4.332 0.604 -18.434 46 2HG PRO 28 3HG PRO 28 -2.686 1.063 -18.909 47 1HD PRO 28 2HD PRO 28 -3.209 -1.114 -17.386 48 2HD PRO 28 3HD PRO 28 -1.719 -0.163 -17.214 49 H SER 29 H SER 29 -5.269 3.661 -15.350 50 HA SER 29 HA SER 29 -7.782 2.198 -15.609 51 1HB SER 29 2HB SER 29 -8.291 2.191 -13.426 52 2HB SER 29 3HB SER 29 -6.648 2.736 -13.090 53 HG SER 29 HG SER 29 -7.347 4.826 -13.057 54 H GLN 30 H GLN 30 -9.071 3.341 -16.876 55 HA GLN 30 HA GLN 30 -8.672 6.244 -17.057 56 1HB GLN 30 2HB GLN 30 -10.265 4.548 -18.970 57 2HB GLN 30 3HB GLN 30 -9.608 6.158 -19.235 58 1HG GLN 30 2HG GLN 30 -7.319 5.141 -19.036 59 2HG GLN 30 3HG GLN 30 -8.105 3.563 -19.064 60 1HE2 GLN 30 1HE2 GLN 30 -6.368 3.868 -20.967 61 2HE2 GLN 30 2HE2 GLN 30 -7.101 4.203 -22.496 62 H VAL 31 H VAL 31 -10.258 4.713 -15.002 63 HA VAL 31 HA VAL 31 -12.669 6.352 -15.209 64 HB VAL 31 HB VAL 31 -14.150 4.534 -14.585 65 1HG1 VAL 31 1HG1 VAL 31 -12.466 3.979 -17.020 66 2HG1 VAL 31 2HG1 VAL 31 -13.996 3.170 -16.678 67 3HG1 VAL 31 3HG1 VAL 31 -13.958 4.915 -16.933 68 1HG2 VAL 31 1HG2 VAL 31 -13.001 2.986 -13.348 69 2HG2 VAL 31 2HG2 VAL 31 -13.062 2.154 -14.902 70 3HG2 VAL 31 3HG2 VAL 31 -11.598 3.009 -14.416 71 H VAL 32 H VAL 32 -13.451 7.065 -13.267 72 HA VAL 32 HA VAL 32 -12.007 6.167 -10.858 73 HB VAL 32 HB VAL 32 -12.026 8.378 -9.975 74 1HG1 VAL 32 1HG1 VAL 32 -11.226 8.491 -12.881 75 2HG1 VAL 32 2HG1 VAL 32 -10.699 9.613 -11.625 76 3HG1 VAL 32 3HG1 VAL 32 -10.226 7.915 -11.548 77 1HG2 VAL 32 1HG2 VAL 32 -13.889 9.548 -10.437 78 2HG2 VAL 32 2HG2 VAL 32 -12.955 10.155 -11.805 79 3HG2 VAL 32 3HG2 VAL 32 -14.079 8.814 -12.029 80 H LEU 33 H LEU 33 -13.181 5.766 -9.041 81 HA LEU 33 HA LEU 33 -16.104 5.922 -9.324 82 1HB LEU 33 2HB LEU 33 -15.690 3.702 -8.977 83 2HB LEU 33 3HB LEU 33 -14.257 4.011 -8.000 84 HG LEU 33 HG LEU 33 -15.649 4.578 -6.092 85 1HD1 LEU 33 1HD1 LEU 33 -17.757 5.220 -6.313 86 2HD1 LEU 33 2HD1 LEU 33 -18.190 3.655 -7.001 87 3HD1 LEU 33 3HD1 LEU 33 -17.640 4.959 -8.054 88 1HD2 LEU 33 1HD2 LEU 33 -16.826 2.322 -5.861 89 2HD2 LEU 33 2HD2 LEU 33 -15.084 2.305 -6.140 90 3HD2 LEU 33 3HD2 LEU 33 -16.194 1.966 -7.469 91 H ILE 34 H ILE 34 -17.125 7.404 -8.165 92 HA ILE 34 HA ILE 34 -15.797 8.484 -5.771 93 HB ILE 34 HB ILE 34 -17.235 10.464 -6.046 94 1HG1 ILE 34 2HG1 ILE 34 -18.843 8.859 -7.549 95 2HG1 ILE 34 3HG1 ILE 34 -18.918 10.618 -7.551 96 1HG2 ILE 34 1HG2 ILE 34 -15.552 9.676 -8.415 97 2HG2 ILE 34 2HG2 ILE 34 -16.168 11.306 -8.150 98 3HG2 ILE 34 3HG2 ILE 34 -15.051 10.586 -6.991 99 1HD1 ILE 34 1HD1 ILE 34 -17.248 9.021 -9.472 100 2HD1 ILE 34 2HD1 ILE 34 -18.894 9.560 -9.805 101 3HD1 ILE 34 3HD1 ILE 34 -17.617 10.744 -9.535 102 H THR 35 H THR 35 -16.956 8.770 -3.861 103 HA THR 35 HA THR 35 -19.679 7.719 -3.727 104 HB THR 35 HB THR 35 -19.223 6.211 -1.912 105 HG1 THR 35 HG1 THR 35 -16.443 6.604 -2.123 106 1HG2 THR 35 1HG2 THR 35 -18.804 5.457 -4.294 107 2HG2 THR 35 2HG2 THR 35 -18.019 4.502 -3.036 108 3HG2 THR 35 3HG2 THR 35 -17.085 5.674 -3.965 109 H ASN 36 H ASN 36 -20.197 7.760 -1.119 110 HA ASN 36 HA ASN 36 -20.664 9.088 0.668 111 1HB ASN 36 2HB ASN 36 -17.919 9.441 0.203 112 2HB ASN 36 3HB ASN 36 -18.566 11.064 0.420 113 1HD2 ASN 36 1HD2 ASN 36 -17.578 11.377 2.384 114 2HD2 ASN 36 2HD2 ASN 36 -18.064 10.549 3.820 115 H ILE 37 H ILE 37 -21.604 9.721 -2.048 116 HA ILE 37 HA ILE 37 -21.869 12.637 -1.935 117 HB ILE 37 HB ILE 37 -22.943 12.384 -4.183 118 1HG1 ILE 37 2HG1 ILE 37 -21.918 9.544 -4.018 119 2HG1 ILE 37 3HG1 ILE 37 -23.610 9.987 -3.819 120 1HG2 ILE 37 1HG2 ILE 37 -20.806 11.829 -5.355 121 2HG2 ILE 37 2HG2 ILE 37 -20.648 13.028 -4.072 122 3HG2 ILE 37 3HG2 ILE 37 -20.137 11.363 -3.791 123 1HD1 ILE 37 1HD1 ILE 37 -23.702 9.536 -6.012 124 2HD1 ILE 37 2HD1 ILE 37 -23.073 11.176 -6.173 125 3HD1 ILE 37 3HD1 ILE 37 -21.975 9.799 -6.248 126 H ASN 38 H ASN 38 -23.784 13.657 -1.601 127 HA ASN 38 HA ASN 38 -25.901 12.130 -0.397 128 1HB ASN 38 2HB ASN 38 -25.014 14.834 -0.342 129 2HB ASN 38 3HB ASN 38 -26.696 14.834 -0.865 130 1HD2 ASN 38 1HD2 ASN 38 -28.150 13.403 0.473 131 2HD2 ASN 38 2HD2 ASN 38 -27.921 13.455 2.185 132 HA PRO 39 HA PRO 39 -28.100 11.509 -4.214 133 1HB PRO 39 2HB PRO 39 -30.273 10.322 -3.102 134 2HB PRO 39 3HB PRO 39 -28.734 9.484 -3.334 135 1HG PRO 39 2HG PRO 39 -29.845 10.757 -0.862 136 2HG PRO 39 3HG PRO 39 -29.007 9.204 -1.042 137 1HD PRO 39 2HD PRO 39 -27.767 11.432 -0.129 138 2HD PRO 39 3HD PRO 39 -26.923 10.189 -1.076 139 H GLU 40 H GLU 40 -28.879 13.580 -1.665 140 HA GLU 40 HA GLU 40 -31.483 14.366 -2.107 141 1HB GLU 40 2HB GLU 40 -29.052 15.686 -1.049 142 2HB GLU 40 3HB GLU 40 -30.362 16.752 -1.538 143 1HG GLU 40 2HG GLU 40 -31.889 15.496 -0.064 144 2HG GLU 40 3HG GLU 40 -30.524 14.519 0.474 145 H VAL 41 H VAL 41 -28.656 14.975 -4.041 146 HA VAL 41 HA VAL 41 -30.079 16.900 -5.716 147 HB VAL 41 HB VAL 41 -27.778 17.453 -5.159 148 1HG1 VAL 41 1HG1 VAL 41 -26.896 15.222 -4.813 149 2HG1 VAL 41 2HG1 VAL 41 -27.067 14.864 -6.533 150 3HG1 VAL 41 3HG1 VAL 41 -25.913 16.085 -5.995 151 1HG2 VAL 41 1HG2 VAL 41 -28.210 16.709 -8.046 152 2HG2 VAL 41 2HG2 VAL 41 -28.547 18.260 -7.277 153 3HG2 VAL 41 3HG2 VAL 41 -26.880 17.716 -7.476 154 HA PRO 42 HA PRO 42 -31.280 13.769 -8.598 155 1HB PRO 42 2HB PRO 42 -31.969 15.418 -10.642 156 2HB PRO 42 3HB PRO 42 -32.970 15.203 -9.201 157 1HG PRO 42 2HG PRO 42 -31.048 17.401 -9.861 158 2HG PRO 42 3HG PRO 42 -32.666 17.507 -9.143 159 1HD PRO 42 2HD PRO 42 -30.404 17.662 -7.664 160 2HD PRO 42 3HD PRO 42 -31.907 16.954 -7.039 161 H LYS 43 H LYS 43 -30.304 12.616 -10.180 162 HA LYS 43 HA LYS 43 -27.665 12.919 -10.844 163 1HB LYS 43 2HB LYS 43 -28.670 10.833 -11.303 164 2HB LYS 43 3HB LYS 43 -29.920 11.561 -12.303 165 1HG LYS 43 2HG LYS 43 -28.545 11.755 -14.126 166 2HG LYS 43 3HG LYS 43 -27.076 11.810 -13.148 167 1HD LYS 43 2HD LYS 43 -26.858 9.687 -13.909 168 2HD LYS 43 3HD LYS 43 -27.916 9.338 -12.540 169 1HE LYS 43 2HE LYS 43 -28.735 8.215 -14.520 170 2HE LYS 43 3HE LYS 43 -29.863 9.483 -14.041 171 1HZ LYS 43 1HZ LYS 43 -29.560 10.555 -15.952 172 2HZ LYS 43 2HZ LYS 43 -28.825 9.143 -16.525 173 3HZ LYS 43 3HZ LYS 43 -27.876 10.394 -15.897 174 H GLU 44 H GLU 44 -30.456 14.364 -12.396 175 HA GLU 44 HA GLU 44 -29.409 15.211 -14.796 176 1HB GLU 44 2HB GLU 44 -31.719 15.714 -13.340 177 2HB GLU 44 3HB GLU 44 -30.987 17.302 -13.522 178 1HG GLU 44 2HG GLU 44 -31.345 15.476 -15.867 179 2HG GLU 44 3HG GLU 44 -32.650 16.516 -15.300 180 H LYS 45 H LYS 45 -29.382 17.050 -11.740 181 HA LYS 45 HA LYS 45 -27.500 18.958 -12.831 182 1HB LYS 45 2HB LYS 45 -28.775 18.672 -10.109 183 2HB LYS 45 3HB LYS 45 -27.629 19.944 -10.511 184 1HG LYS 45 2HG LYS 45 -29.128 21.094 -11.753 185 2HG LYS 45 3HG LYS 45 -29.949 19.635 -12.314 186 1HD LYS 45 2HD LYS 45 -31.404 20.930 -10.854 187 2HD LYS 45 3HD LYS 45 -30.993 19.384 -10.107 188 1HE LYS 45 2HE LYS 45 -29.996 20.381 -8.377 189 2HE LYS 45 3HE LYS 45 -29.097 21.474 -9.427 190 1HZ LYS 45 1HZ LYS 45 -31.748 21.843 -8.204 191 2HZ LYS 45 2HZ LYS 45 -31.363 22.665 -9.631 192 3HZ LYS 45 3HZ LYS 45 -30.431 22.904 -8.240 193 H LEU 46 H LEU 46 -27.509 16.403 -10.380 194 HA LEU 46 HA LEU 46 -24.988 16.747 -9.305 195 1HB LEU 46 2HB LEU 46 -25.924 15.077 -8.158 196 2HB LEU 46 3HB LEU 46 -26.920 14.582 -9.525 197 HG LEU 46 HG LEU 46 -24.967 13.338 -10.427 198 1HD1 LEU 46 1HD1 LEU 46 -23.312 12.895 -8.339 199 2HD1 LEU 46 2HD1 LEU 46 -23.686 14.602 -8.103 200 3HD1 LEU 46 3HD1 LEU 46 -22.992 14.054 -9.629 201 1HD2 LEU 46 1HD2 LEU 46 -26.265 12.716 -7.825 202 2HD2 LEU 46 2HD2 LEU 46 -24.955 11.674 -8.379 203 3HD2 LEU 46 3HD2 LEU 46 -26.392 11.892 -9.379 204 H GLN 47 H GLN 47 -25.892 14.803 -12.145 205 HA GLN 47 HA GLN 47 -23.288 13.941 -12.770 206 1HB GLN 47 2HB GLN 47 -25.353 12.911 -13.669 207 2HB GLN 47 3HB GLN 47 -25.619 14.346 -14.651 208 1HG GLN 47 2HG GLN 47 -23.162 13.762 -15.471 209 2HG GLN 47 3HG GLN 47 -23.671 12.145 -14.988 210 1HE2 GLN 47 1HE2 GLN 47 -23.954 11.182 -16.905 211 2HE2 GLN 47 2HE2 GLN 47 -25.048 11.721 -18.129 212 H ALA 48 H ALA 48 -25.208 16.651 -14.042 213 HA ALA 48 HA ALA 48 -23.365 17.626 -15.882 214 1HB ALA 48 1HB ALA 48 -24.763 19.391 -16.125 215 2HB ALA 48 2HB ALA 48 -25.848 18.342 -15.212 216 3HB ALA 48 3HB ALA 48 -24.957 19.621 -14.387 217 H LEU 49 H LEU 49 -23.530 18.035 -12.407 218 HA LEU 49 HA LEU 49 -21.616 20.141 -12.254 219 1HB LEU 49 2HB LEU 49 -23.289 18.695 -10.468 220 2HB LEU 49 3HB LEU 49 -21.639 18.626 -9.852 221 HG LEU 49 HG LEU 49 -22.718 20.474 -8.817 222 1HD1 LEU 49 1HD1 LEU 49 -21.306 22.078 -10.814 223 2HD1 LEU 49 2HD1 LEU 49 -20.386 20.703 -10.205 224 3HD1 LEU 49 3HD1 LEU 49 -21.020 21.907 -9.082 225 1HD2 LEU 49 1HD2 LEU 49 -24.412 21.518 -9.794 226 2HD2 LEU 49 2HD2 LEU 49 -24.071 20.686 -11.312 227 3HD2 LEU 49 3HD2 LEU 49 -23.296 22.231 -10.958 228 H LEU 50 H LEU 50 -21.436 16.636 -11.668 229 HA LEU 50 HA LEU 50 -18.758 16.466 -10.968 230 1HB LEU 50 2HB LEU 50 -20.484 14.516 -12.480 231 2HB LEU 50 3HB LEU 50 -18.883 14.131 -11.852 232 HG LEU 50 HG LEU 50 -21.273 14.910 -10.182 233 1HD1 LEU 50 1HD1 LEU 50 -19.960 12.212 -10.396 234 2HD1 LEU 50 2HD1 LEU 50 -21.382 12.671 -11.332 235 3HD1 LEU 50 3HD1 LEU 50 -21.462 12.632 -9.571 236 1HD2 LEU 50 1HD2 LEU 50 -18.472 14.064 -9.463 237 2HD2 LEU 50 2HD2 LEU 50 -19.815 14.096 -8.319 238 3HD2 LEU 50 3HD2 LEU 50 -19.269 15.591 -9.081 239 H TYR 51 H TYR 51 -20.220 16.941 -14.083 240 HA TYR 51 HA TYR 51 -17.929 16.233 -15.634 241 1HB TYR 51 2HB TYR 51 -20.352 16.323 -16.429 242 2HB TYR 51 3HB TYR 51 -20.156 18.070 -16.507 243 HD1 TYR 51 HD1 TYR 51 -17.964 18.831 -17.842 244 HD2 TYR 51 HD2 TYR 51 -19.994 15.129 -18.367 245 HE1 TYR 51 HE1 TYR 51 -16.997 18.627 -20.095 246 HE2 TYR 51 HE2 TYR 51 -19.031 14.914 -20.620 247 HH TYR 51 HH TYR 51 -17.645 15.783 -22.121 248 H ALA 52 H ALA 52 -19.312 19.306 -14.522 249 HA ALA 52 HA ALA 52 -17.618 21.090 -15.764 250 1HB ALA 52 1HB ALA 52 -19.532 21.195 -13.712 251 2HB ALA 52 2HB ALA 52 -18.079 21.968 -13.077 252 3HB ALA 52 3HB ALA 52 -18.801 22.545 -14.579 253 H LEU 53 H LEU 53 -17.161 19.644 -12.534 254 HA LEU 53 HA LEU 53 -14.608 20.743 -12.095 255 1HB LEU 53 2HB LEU 53 -15.669 18.164 -10.959 256 2HB LEU 53 3HB LEU 53 -14.417 19.198 -10.273 257 HG LEU 53 HG LEU 53 -17.296 20.038 -10.579 258 1HD1 LEU 53 1HD1 LEU 53 -17.362 19.671 -8.089 259 2HD1 LEU 53 2HD1 LEU 53 -15.869 18.751 -8.265 260 3HD1 LEU 53 3HD1 LEU 53 -17.338 18.210 -9.076 261 1HD2 LEU 53 1HD2 LEU 53 -16.661 22.018 -9.785 262 2HD2 LEU 53 2HD2 LEU 53 -15.002 21.517 -10.111 263 3HD2 LEU 53 3HD2 LEU 53 -15.696 21.280 -8.506 264 H ALA 54 H ALA 54 -15.638 17.629 -13.430 265 HA ALA 54 HA ALA 54 -13.152 16.399 -13.652 266 1HB ALA 54 1HB ALA 54 -15.543 16.146 -15.473 267 2HB ALA 54 2HB ALA 54 -14.173 15.036 -15.428 268 3HB ALA 54 3HB ALA 54 -15.223 15.197 -14.021 269 H SER 55 H SER 55 -14.881 18.307 -16.122 270 HA SER 55 HA SER 55 -12.895 18.235 -18.077 271 1HB SER 55 2HB SER 55 -15.042 19.003 -18.732 272 2HB SER 55 3HB SER 55 -15.063 20.248 -17.483 273 HG SER 55 HG SER 55 -14.578 21.197 -19.455 274 H SER 56 H SER 56 -13.241 20.256 -15.245 275 HA SER 56 HA SER 56 -11.461 22.307 -15.877 276 1HB SER 56 2HB SER 56 -12.987 21.659 -13.690 277 2HB SER 56 3HB SER 56 -11.351 21.420 -13.077 278 HG SER 56 HG SER 56 -12.576 23.758 -14.030 279 H GLN 57 H GLN 57 -10.876 19.000 -15.108 280 HA GLN 57 HA GLN 57 -7.994 19.540 -14.845 281 1HB GLN 57 2HB GLN 57 -9.618 17.159 -13.936 282 2HB GLN 57 3HB GLN 57 -7.865 17.261 -13.835 283 1HG GLN 57 2HG GLN 57 -9.525 19.390 -12.576 284 2HG GLN 57 3HG GLN 57 -9.356 17.829 -11.773 285 1HE2 GLN 57 1HE2 GLN 57 -8.332 20.674 -11.310 286 2HE2 GLN 57 2HE2 GLN 57 -6.653 20.448 -10.976 287 HN2 GLY 58 H GLY 58 -9.841 16.661 -15.831 288 1HA GLY 58 2HA GLY 58 -8.228 16.620 -18.308 289 2HA GLY 58 3HA GLY 58 -8.647 15.166 -17.414 290 H ASP 59 H ASP 59 -9.258 15.063 -19.967 291 HA ASP 59 HA ASP 59 -11.872 16.105 -20.552 292 1HB ASP 59 2HB ASP 59 -10.036 14.190 -21.986 293 2HB ASP 59 3HB ASP 59 -11.648 14.571 -22.583 294 H ILE 60 H ILE 60 -13.805 14.987 -20.687 295 HA ILE 60 HA ILE 60 -13.862 12.442 -19.213 296 HB ILE 60 HB ILE 60 -16.115 14.401 -19.667 297 1HG1 ILE 60 2HG1 ILE 60 -15.677 14.352 -16.980 298 2HG1 ILE 60 3HG1 ILE 60 -14.036 14.157 -17.586 299 1HG2 ILE 60 1HG2 ILE 60 -17.477 12.778 -19.013 300 2HG2 ILE 60 2HG2 ILE 60 -16.112 11.670 -18.880 301 3HG2 ILE 60 3HG2 ILE 60 -16.590 12.649 -17.494 302 1HD1 ILE 60 1HD1 ILE 60 -13.944 16.350 -17.829 303 2HD1 ILE 60 2HD1 ILE 60 -15.158 16.216 -19.102 304 3HD1 ILE 60 3HD1 ILE 60 -15.655 16.513 -17.436 305 H LEU 61 H LEU 61 -14.636 10.636 -20.138 306 HA LEU 61 HA LEU 61 -15.491 10.816 -22.935 307 1HB LEU 61 2HB LEU 61 -14.893 8.257 -21.507 308 2HB LEU 61 3HB LEU 61 -14.768 8.628 -23.226 309 HG LEU 61 HG LEU 61 -12.884 9.487 -21.034 310 1HD1 LEU 61 1HD1 LEU 61 -12.188 7.380 -21.530 311 2HD1 LEU 61 2HD1 LEU 61 -11.347 8.257 -22.809 312 3HD1 LEU 61 3HD1 LEU 61 -12.859 7.419 -23.161 313 1HD2 LEU 61 1HD2 LEU 61 -13.242 10.444 -23.828 314 2HD2 LEU 61 2HD2 LEU 61 -11.604 10.278 -23.197 315 3HD2 LEU 61 3HD2 LEU 61 -12.761 11.331 -22.381 316 H ASP 62 H ASP 62 -16.613 9.976 -19.772 317 HA ASP 62 HA ASP 62 -19.314 10.026 -20.465 318 1HB ASP 62 2HB ASP 62 -19.149 7.985 -21.623 319 2HB ASP 62 3HB ASP 62 -18.063 7.290 -20.423 320 H ILE 63 H ILE 63 -20.324 10.567 -18.651 321 HA ILE 63 HA ILE 63 -19.085 9.835 -16.089 322 HB ILE 63 HB ILE 63 -21.098 12.013 -16.663 323 1HG1 ILE 63 2HG1 ILE 63 -18.116 12.148 -16.169 324 2HG1 ILE 63 3HG1 ILE 63 -18.937 12.505 -17.685 325 1HG2 ILE 63 1HG2 ILE 63 -19.507 11.453 -14.164 326 2HG2 ILE 63 2HG2 ILE 63 -20.657 12.767 -14.404 327 3HG2 ILE 63 3HG2 ILE 63 -21.220 11.096 -14.382 328 1HD1 ILE 63 1HD1 ILE 63 -19.014 14.066 -15.125 329 2HD1 ILE 63 2HD1 ILE 63 -18.418 14.577 -16.705 330 3HD1 ILE 63 3HD1 ILE 63 -20.147 14.339 -16.448 331 H VAL 64 H VAL 64 -19.972 8.124 -15.146 332 HA VAL 64 HA VAL 64 -22.817 7.556 -15.559 333 HB VAL 64 HB VAL 64 -20.723 5.801 -14.273 334 1HG1 VAL 64 1HG1 VAL 64 -22.565 4.738 -13.555 335 2HG1 VAL 64 2HG1 VAL 64 -23.614 5.570 -14.706 336 3HG1 VAL 64 3HG1 VAL 64 -22.679 4.164 -15.218 337 1HG2 VAL 64 1HG2 VAL 64 -21.103 4.538 -16.529 338 2HG2 VAL 64 2HG2 VAL 64 -21.594 6.129 -17.110 339 3HG2 VAL 64 3HG2 VAL 64 -19.975 5.892 -16.451 340 H VAL 65 H VAL 65 -24.235 7.199 -13.837 341 HA VAL 65 HA VAL 65 -23.308 7.742 -11.128 342 HB VAL 65 HB VAL 65 -25.534 9.366 -12.366 343 1HG1 VAL 65 1HG1 VAL 65 -26.151 9.853 -10.290 344 2HG1 VAL 65 2HG1 VAL 65 -24.939 8.726 -9.676 345 3HG1 VAL 65 3HG1 VAL 65 -24.524 10.423 -9.920 346 1HG2 VAL 65 1HG2 VAL 65 -24.010 11.282 -12.099 347 2HG2 VAL 65 2HG2 VAL 65 -22.729 10.176 -11.605 348 3HG2 VAL 65 3HG2 VAL 65 -23.389 10.087 -13.237 349 H ASP 66 H ASP 66 -24.401 6.602 -9.635 350 HA ASP 66 HA ASP 66 -26.182 4.570 -10.405 351 1HB ASP 66 2HB ASP 66 -26.383 4.059 -8.067 352 2HB ASP 66 3HB ASP 66 -24.717 4.546 -8.369 353 H LEU 67 H LEU 67 -28.186 4.586 -8.463 354 HA LEU 67 HA LEU 67 -30.011 6.531 -9.646 355 1HB LEU 67 2HB LEU 67 -31.733 5.174 -8.364 356 2HB LEU 67 3HB LEU 67 -30.904 4.373 -9.697 357 HG LEU 67 HG LEU 67 -31.306 3.076 -7.502 358 1HD1 LEU 67 1HD1 LEU 67 -29.955 1.701 -8.594 359 2HD1 LEU 67 2HD1 LEU 67 -28.574 2.532 -7.879 360 3HD1 LEU 67 3HD1 LEU 67 -29.203 3.053 -9.442 361 1HD2 LEU 67 1HD2 LEU 67 -30.432 4.890 -6.048 362 2HD2 LEU 67 2HD2 LEU 67 -28.827 4.605 -6.722 363 3HD2 LEU 67 3HD2 LEU 67 -29.634 3.337 -5.798 364 H SER 68 H SER 68 -27.944 7.151 -7.545 365 HA SER 68 HA SER 68 -27.734 8.333 -5.603 366 1HB SER 68 2HB SER 68 -30.453 9.500 -6.083 367 2HB SER 68 3HB SER 68 -28.976 10.297 -5.541 368 HG SER 68 HG SER 68 -29.421 9.267 -8.150 369 H ASP 69 H ASP 69 -28.221 6.015 -4.722 370 HA ASP 69 HA ASP 69 -30.715 5.679 -3.350 371 1HB ASP 69 2HB ASP 69 -28.483 4.050 -4.005 372 2HB ASP 69 3HB ASP 69 -28.677 3.997 -2.255 373 H ASP 70 H ASP 70 -31.130 5.824 -1.153 374 HA ASP 70 HA ASP 70 -29.682 7.845 0.248 375 1HB ASP 70 2HB ASP 70 -31.818 5.999 1.332 376 2HB ASP 70 3HB ASP 70 -31.314 7.545 2.009 377 H ASN 71 H ASN 71 -29.126 4.587 -0.164 378 HA ASN 71 HA ASN 71 -27.606 4.430 2.356 379 1HB ASN 71 2HB ASN 71 -28.075 2.160 2.553 380 2HB ASN 71 3HB ASN 71 -29.587 2.793 1.910 381 1HD2 ASN 71 1HD2 ASN 71 -29.974 2.567 -0.372 382 2HD2 ASN 71 2HD2 ASN 71 -29.277 1.239 -1.230 383 H SER 72 H SER 72 -27.394 4.655 -0.974 384 HA SER 72 HA SER 72 -24.671 3.525 -0.963 385 1HB SER 72 2HB SER 72 -26.579 3.764 -3.303 386 2HB SER 72 3HB SER 72 -24.939 3.118 -3.376 387 HG SER 72 HG SER 72 -25.784 1.284 -2.838 388 HN2 GLY 73 H GLY 73 -26.450 5.702 -3.150 389 1HA GLY 73 2HA GLY 73 -25.832 7.707 -4.090 390 2HA GLY 73 3HA GLY 73 -25.285 8.107 -2.468 391 H LYS 74 H LYS 74 -24.335 6.889 -5.604 392 HA LYS 74 HA LYS 74 -21.638 7.839 -5.159 393 1HB LYS 74 2HB LYS 74 -20.548 5.740 -5.730 394 2HB LYS 74 3HB LYS 74 -21.547 5.532 -4.297 395 1HG LYS 74 2HG LYS 74 -23.226 4.885 -6.411 396 2HG LYS 74 3HG LYS 74 -21.667 4.180 -6.844 397 1HD LYS 74 2HD LYS 74 -21.954 3.591 -4.149 398 2HD LYS 74 3HD LYS 74 -23.573 3.366 -4.814 399 1HE LYS 74 2HE LYS 74 -22.677 1.287 -5.174 400 2HE LYS 74 3HE LYS 74 -22.276 2.079 -6.697 401 1HZ LYS 74 1HZ LYS 74 -20.453 0.780 -5.504 402 2HZ LYS 74 2HZ LYS 74 -20.383 2.085 -4.431 403 3HZ LYS 74 3HZ LYS 74 -20.066 2.325 -6.075 404 H ALA 75 H ALA 75 -20.301 7.127 -7.273 405 HA ALA 75 HA ALA 75 -21.770 6.903 -9.693 406 1HB ALA 75 1HB ALA 75 -22.470 9.103 -9.524 407 2HB ALA 75 2HB ALA 75 -20.959 9.635 -8.787 408 3HB ALA 75 3HB ALA 75 -21.011 9.243 -10.505 409 H TYR 76 H TYR 76 -20.223 7.676 -11.603 410 HA TYR 76 HA TYR 76 -17.424 7.183 -10.946 411 1HB TYR 76 2HB TYR 76 -18.628 5.595 -13.185 412 2HB TYR 76 3HB TYR 76 -17.155 5.288 -12.271 413 HD1 TYR 76 HD1 TYR 76 -17.205 4.053 -10.218 414 HD2 TYR 76 HD2 TYR 76 -20.829 5.036 -12.220 415 HE1 TYR 76 HE1 TYR 76 -18.422 2.474 -8.777 416 HE2 TYR 76 HE2 TYR 76 -22.056 3.461 -10.784 417 HH TYR 76 HH TYR 76 -21.659 1.529 -9.411 418 H ILE 77 H ILE 77 -16.140 8.487 -12.073 419 HA ILE 77 HA ILE 77 -17.252 9.813 -14.453 420 HB ILE 77 HB ILE 77 -14.932 10.768 -12.777 421 1HG1 ILE 77 2HG1 ILE 77 -17.844 11.582 -12.652 422 2HG1 ILE 77 3HG1 ILE 77 -16.960 10.707 -11.406 423 1HG2 ILE 77 1HG2 ILE 77 -16.631 12.498 -14.512 424 2HG2 ILE 77 2HG2 ILE 77 -14.945 12.691 -14.034 425 3HG2 ILE 77 3HG2 ILE 77 -15.385 11.493 -15.251 426 1HD1 ILE 77 1HD1 ILE 77 -15.396 12.845 -11.570 427 2HD1 ILE 77 2HD1 ILE 77 -16.907 13.574 -12.117 428 3HD1 ILE 77 3HD1 ILE 77 -16.826 12.789 -10.540 429 H VAL 78 H VAL 78 -16.566 8.893 -16.270 430 HA VAL 78 HA VAL 78 -14.002 7.550 -16.402 431 HB VAL 78 HB VAL 78 -15.964 7.991 -18.652 432 1HG1 VAL 78 1HG1 VAL 78 -14.522 6.861 -19.906 433 2HG1 VAL 78 2HG1 VAL 78 -13.380 6.873 -18.561 434 3HG1 VAL 78 3HG1 VAL 78 -14.510 5.531 -18.749 435 1HG2 VAL 78 1HG2 VAL 78 -17.064 6.898 -16.746 436 2HG2 VAL 78 2HG2 VAL 78 -16.896 5.810 -18.123 437 3HG2 VAL 78 3HG2 VAL 78 -15.809 5.659 -16.743 438 H PHE 79 H PHE 79 -12.173 8.438 -17.090 439 HA PHE 79 HA PHE 79 -12.319 11.015 -18.503 440 1HB PHE 79 2HB PHE 79 -10.256 9.850 -16.644 441 2HB PHE 79 3HB PHE 79 -9.882 11.206 -17.703 442 HD1 PHE 79 HD1 PHE 79 -10.977 13.371 -17.381 443 HD2 PHE 79 HD2 PHE 79 -11.634 10.120 -14.713 444 HE1 PHE 79 HE1 PHE 79 -11.910 14.928 -15.719 445 HE2 PHE 79 HE2 PHE 79 -12.569 11.671 -13.048 446 HZ PHE 79 HZ PHE 79 -12.709 14.078 -13.550 447 H ALA 80 H ALA 80 -10.059 11.342 -19.727 448 HA ALA 80 HA ALA 80 -10.142 9.597 -21.943 449 1HB ALA 80 1HB ALA 80 -8.459 10.924 -22.891 450 2HB ALA 80 2HB ALA 80 -9.381 12.031 -21.873 451 3HB ALA 80 3HB ALA 80 -7.830 11.405 -21.314 452 H THR 81 H THR 81 -7.937 9.853 -19.191 453 HA THR 81 HA THR 81 -7.198 7.103 -19.398 454 HB THR 81 HB THR 81 -4.673 8.480 -19.514 455 HG1 THR 81 HG1 THR 81 -4.808 9.477 -21.439 456 1HG2 THR 81 1HG2 THR 81 -5.716 6.626 -21.620 457 2HG2 THR 81 2HG2 THR 81 -5.395 6.025 -19.994 458 3HG2 THR 81 3HG2 THR 81 -4.094 6.746 -20.940 459 H GLN 82 H GLN 82 -5.497 6.535 -17.748 460 HA GLN 82 HA GLN 82 -6.210 7.413 -15.230 461 1HB GLN 82 2HB GLN 82 -4.689 5.403 -16.104 462 2HB GLN 82 3HB GLN 82 -3.405 6.501 -15.617 463 1HG GLN 82 2HG GLN 82 -5.620 5.984 -13.708 464 2HG GLN 82 3HG GLN 82 -4.409 4.728 -13.959 465 1HE2 GLN 82 1HE2 GLN 82 -4.284 5.384 -11.557 466 2HE2 GLN 82 2HE2 GLN 82 -3.078 6.559 -11.175 467 H GLU 83 H GLU 83 -3.900 8.761 -17.460 468 HA GLU 83 HA GLU 83 -2.355 10.315 -15.744 469 1HB GLU 83 2HB GLU 83 -2.992 10.302 -18.607 470 2HB GLU 83 3HB GLU 83 -2.585 11.894 -17.981 471 1HG GLU 83 2HG GLU 83 -0.506 10.892 -17.021 472 2HG GLU 83 3HG GLU 83 -0.899 9.408 -17.888 473 H SER 84 H SER 84 -5.317 11.246 -17.494 474 HA SER 84 HA SER 84 -5.498 13.784 -16.199 475 1HB SER 84 2HB SER 84 -7.012 12.289 -18.218 476 2HB SER 84 3HB SER 84 -8.027 13.279 -17.169 477 HG SER 84 HG SER 84 -6.325 14.964 -17.674 478 H ALA 85 H ALA 85 -7.184 10.686 -15.818 479 HA ALA 85 HA ALA 85 -9.047 11.394 -13.902 480 1HB ALA 85 1HB ALA 85 -7.978 8.799 -13.295 481 2HB ALA 85 2HB ALA 85 -9.530 9.230 -14.014 482 3HB ALA 85 3HB ALA 85 -8.113 9.011 -15.040 483 H GLN 86 H GLN 86 -5.797 10.042 -13.306 484 HA GLN 86 HA GLN 86 -5.807 10.171 -10.545 485 1HB GLN 86 2HB GLN 86 -4.034 9.030 -11.681 486 2HB GLN 86 3HB GLN 86 -3.532 10.503 -12.500 487 1HG GLN 86 2HG GLN 86 -3.508 10.669 -9.576 488 2HG GLN 86 3HG GLN 86 -2.383 9.496 -10.260 489 1HE2 GLN 86 1HE2 GLN 86 -0.640 10.768 -9.551 490 2HE2 GLN 86 2HE2 GLN 86 -0.179 12.208 -10.385 491 H ALA 87 H ALA 87 -4.967 12.688 -12.883 492 HA ALA 87 HA ALA 87 -4.020 14.613 -11.089 493 1HB ALA 87 1HB ALA 87 -4.292 16.196 -12.833 494 2HB ALA 87 2HB ALA 87 -3.861 14.667 -13.600 495 3HB ALA 87 3HB ALA 87 -5.535 15.220 -13.617 496 H PHE 88 H PHE 88 -7.303 14.127 -12.378 497 HA PHE 88 HA PHE 88 -8.482 16.246 -10.926 498 1HB PHE 88 2HB PHE 88 -9.643 15.429 -12.841 499 2HB PHE 88 3HB PHE 88 -9.638 13.780 -12.223 500 HD1 PHE 88 HD1 PHE 88 -11.172 13.107 -10.459 501 HD2 PHE 88 HD2 PHE 88 -11.244 17.044 -12.074 502 HE1 PHE 88 HE1 PHE 88 -13.385 13.477 -9.449 503 HE2 PHE 88 HE2 PHE 88 -13.456 17.421 -11.066 504 HZ PHE 88 HZ PHE 88 -14.529 15.637 -9.751 505 H VAL 89 H VAL 89 -7.930 12.856 -10.204 506 HA VAL 89 HA VAL 89 -9.583 12.649 -7.936 507 HB VAL 89 HB VAL 89 -7.042 11.147 -8.583 508 1HG1 VAL 89 1HG1 VAL 89 -8.538 9.469 -7.061 509 2HG1 VAL 89 2HG1 VAL 89 -7.224 10.474 -6.446 510 3HG1 VAL 89 3HG1 VAL 89 -8.895 11.024 -6.309 511 1HG2 VAL 89 1HG2 VAL 89 -9.322 11.132 -10.022 512 2HG2 VAL 89 2HG2 VAL 89 -8.253 9.738 -9.867 513 3HG2 VAL 89 3HG2 VAL 89 -9.685 9.869 -8.846 514 H GLU 90 H GLU 90 -6.147 13.481 -8.268 515 HA GLU 90 HA GLU 90 -5.846 13.917 -5.433 516 1HB GLU 90 2HB GLU 90 -3.937 14.672 -7.649 517 2HB GLU 90 3HB GLU 90 -3.563 14.502 -5.940 518 1HG GLU 90 2HG GLU 90 -4.548 12.221 -7.624 519 2HG GLU 90 3HG GLU 90 -2.839 12.612 -7.438 520 H ALA 91 H ALA 91 -6.746 15.773 -8.181 521 HA ALA 91 HA ALA 91 -6.040 18.340 -7.121 522 1HB ALA 91 1HB ALA 91 -6.159 18.394 -9.417 523 2HB ALA 91 2HB ALA 91 -7.599 17.377 -9.475 524 3HB ALA 91 3HB ALA 91 -7.730 19.064 -8.977 525 H PHE 92 H PHE 92 -8.699 16.178 -6.756 526 HA PHE 92 HA PHE 92 -10.139 18.240 -5.222 527 1HB PHE 92 2HB PHE 92 -11.253 16.117 -7.053 528 2HB PHE 92 3HB PHE 92 -12.240 16.936 -5.846 529 HD1 PHE 92 HD1 PHE 92 -9.840 17.791 -8.574 530 HD2 PHE 92 HD2 PHE 92 -13.450 18.754 -6.536 531 HE1 PHE 92 HE1 PHE 92 -10.240 19.631 -10.158 532 HE2 PHE 92 HE2 PHE 92 -13.857 20.594 -8.118 533 HZ PHE 92 HZ PHE 92 -12.251 21.034 -9.932 534 H GLN 93 H GLN 93 -8.304 15.640 -4.877 535 HA GLN 93 HA GLN 93 -9.612 13.731 -3.407 536 1HB GLN 93 2HB GLN 93 -7.338 13.348 -3.896 537 2HB GLN 93 3HB GLN 93 -6.836 14.862 -3.154 538 1HG GLN 93 2HG GLN 93 -7.365 13.982 -0.954 539 2HG GLN 93 3HG GLN 93 -7.929 12.477 -1.678 540 1HE2 GLN 93 1HE2 GLN 93 -6.478 10.946 -2.264 541 2HE2 GLN 93 2HE2 GLN 93 -4.777 11.073 -1.992 542 HN2 GLY 94 H GLY 94 -8.655 16.953 -2.411 543 1HA GLY 94 2HA GLY 94 -10.129 16.519 0.107 544 2HA GLY 94 3HA GLY 94 -8.567 17.326 0.113 545 H TYR 95 H TYR 95 -11.651 17.561 -1.668 546 HA TYR 95 HA TYR 95 -11.628 20.451 -1.123 547 1HB TYR 95 2HB TYR 95 -10.895 20.172 -3.419 548 2HB TYR 95 3HB TYR 95 -12.262 19.119 -3.764 549 HD1 TYR 95 HD1 TYR 95 -11.117 22.542 -3.479 550 HD2 TYR 95 HD2 TYR 95 -14.562 20.071 -3.836 551 HE1 TYR 95 HE1 TYR 95 -12.441 24.497 -4.167 552 HE2 TYR 95 HE2 TYR 95 -15.895 22.019 -4.526 553 HH TYR 95 HH TYR 95 -14.555 25.271 -4.481 554 HA PRO 96 HA PRO 96 -15.719 19.676 0.340 555 1HB PRO 96 2HB PRO 96 -16.582 22.249 0.417 556 2HB PRO 96 3HB PRO 96 -15.453 21.578 1.601 557 1HG PRO 96 2HG PRO 96 -14.891 23.257 -0.813 558 2HG PRO 96 3HG PRO 96 -14.199 23.372 0.816 559 1HD PRO 96 2HD PRO 96 -12.894 22.189 -1.241 560 2HD PRO 96 3HD PRO 96 -12.710 21.653 0.442 561 H PHE 97 H PHE 97 -16.881 18.639 -1.224 562 HA PHE 97 HA PHE 97 -18.262 20.356 -3.169 563 1HB PHE 97 2HB PHE 97 -16.546 19.191 -4.416 564 2HB PHE 97 3HB PHE 97 -17.027 17.650 -3.714 565 HD1 PHE 97 HD1 PHE 97 -18.732 20.467 -5.479 566 HD2 PHE 97 HD2 PHE 97 -18.132 16.265 -5.156 567 HE1 PHE 97 HE1 PHE 97 -20.284 20.105 -7.354 568 HE2 PHE 97 HE2 PHE 97 -19.683 15.896 -7.030 569 HZ PHE 97 HZ PHE 97 -20.761 17.817 -8.132 570 H GLN 98 H GLN 98 -20.368 19.721 -3.722 571 HA GLN 98 HA GLN 98 -22.461 18.957 -3.258 572 1HB GLN 98 2HB GLN 98 -20.749 16.519 -2.982 573 2HB GLN 98 3HB GLN 98 -22.452 16.423 -2.557 574 1HG GLN 98 2HG GLN 98 -21.529 17.478 -5.208 575 2HG GLN 98 3HG GLN 98 -21.794 15.760 -4.917 576 1HE2 GLN 98 1HE2 GLN 98 -23.156 17.871 -6.601 577 2HE2 GLN 98 2HE2 GLN 98 -24.831 17.699 -6.217 578 HN2 GLY 99 H GLY 99 -20.841 20.155 -1.081 579 1HA GLY 99 2HA GLY 99 -22.240 20.596 0.988 580 2HA GLY 99 3HA GLY 99 -22.132 18.859 1.237 581 H ASN 100 H ASN 100 -19.677 18.112 1.010 582 HA ASN 100 HA ASN 100 -17.611 19.804 1.814 583 1HB ASN 100 2HB ASN 100 -19.430 19.156 3.936 584 2HB ASN 100 3HB ASN 100 -17.872 18.404 4.264 585 1HD2 ASN 100 1HD2 ASN 100 -17.609 19.813 6.032 586 2HD2 ASN 100 2HD2 ASN 100 -17.137 21.459 5.800 587 HA PRO 101 HA PRO 101 -16.282 15.246 2.678 588 1HB PRO 101 2HB PRO 101 -18.218 13.344 2.640 589 2HB PRO 101 3HB PRO 101 -17.766 14.224 4.104 590 1HG PRO 101 2HG PRO 101 -20.070 14.689 2.251 591 2HG PRO 101 3HG PRO 101 -20.038 14.713 4.023 592 1HD PRO 101 2HD PRO 101 -19.995 16.975 2.535 593 2HD PRO 101 3HD PRO 101 -19.175 16.849 4.104 594 H LEU 102 H LEU 102 -15.275 15.114 0.736 595 HA LEU 102 HA LEU 102 -16.789 13.892 -1.469 596 1HB LEU 102 2HB LEU 102 -16.574 16.153 -2.118 597 2HB LEU 102 3HB LEU 102 -14.898 16.224 -1.577 598 HG LEU 102 HG LEU 102 -14.342 14.620 -3.438 599 1HD1 LEU 102 1HD1 LEU 102 -16.208 13.583 -4.201 600 2HD1 LEU 102 2HD1 LEU 102 -16.199 14.947 -5.318 601 3HD1 LEU 102 3HD1 LEU 102 -17.245 14.978 -3.899 602 1HD2 LEU 102 1HD2 LEU 102 -14.942 17.436 -3.536 603 2HD2 LEU 102 2HD2 LEU 102 -15.190 16.687 -5.114 604 3HD2 LEU 102 3HD2 LEU 102 -13.630 16.539 -4.302 605 H VAL 103 H VAL 103 -15.915 12.053 -2.138 606 HA VAL 103 HA VAL 103 -13.038 11.610 -1.662 607 HB VAL 103 HB VAL 103 -14.526 10.213 -0.224 608 1HG1 VAL 103 1HG1 VAL 103 -15.226 8.401 -2.416 609 2HG1 VAL 103 2HG1 VAL 103 -16.179 8.925 -1.026 610 3HG1 VAL 103 3HG1 VAL 103 -16.068 9.950 -2.458 611 1HG2 VAL 103 1HG2 VAL 103 -13.301 8.183 -0.546 612 2HG2 VAL 103 2HG2 VAL 103 -12.965 8.590 -2.228 613 3HG2 VAL 103 3HG2 VAL 103 -12.229 9.529 -0.930 614 H ILE 104 H ILE 104 -11.821 10.905 -3.329 615 HA ILE 104 HA ILE 104 -13.169 10.007 -5.777 616 HB ILE 104 HB ILE 104 -11.173 11.375 -6.910 617 1HG1 ILE 104 2HG1 ILE 104 -10.657 12.198 -4.467 618 2HG1 ILE 104 3HG1 ILE 104 -10.540 13.316 -5.822 619 1HG2 ILE 104 1HG2 ILE 104 -13.326 11.694 -7.721 620 2HG2 ILE 104 2HG2 ILE 104 -13.939 12.241 -6.162 621 3HG2 ILE 104 3HG2 ILE 104 -12.890 13.291 -7.114 622 1HD1 ILE 104 1HD1 ILE 104 -12.389 14.488 -5.188 623 2HD1 ILE 104 2HD1 ILE 104 -13.126 13.106 -4.378 624 3HD1 ILE 104 3HD1 ILE 104 -11.791 13.967 -3.613 625 H THR 105 H THR 105 -12.319 8.184 -6.517 626 HA THR 105 HA THR 105 -9.463 7.666 -6.205 627 HB THR 105 HB THR 105 -9.862 5.373 -5.372 628 HG1 THR 105 HG1 THR 105 -11.897 4.800 -5.764 629 1HG2 THR 105 1HG2 THR 105 -11.100 7.448 -3.562 630 2HG2 THR 105 2HG2 THR 105 -9.365 7.261 -3.822 631 3HG2 THR 105 3HG2 THR 105 -10.291 5.959 -3.077 632 H PHE 106 H PHE 106 -8.866 5.570 -7.369 633 HA PHE 106 HA PHE 106 -9.991 5.702 -10.018 634 1HB PHE 106 2HB PHE 106 -7.866 3.832 -8.952 635 2HB PHE 106 3HB PHE 106 -8.217 4.167 -10.645 636 HD1 PHE 106 HD1 PHE 106 -7.670 6.371 -11.607 637 HD2 PHE 106 HD2 PHE 106 -6.523 5.293 -7.652 638 HE1 PHE 106 HE1 PHE 106 -6.038 8.212 -11.581 639 HE2 PHE 106 HE2 PHE 106 -4.890 7.133 -7.620 640 HZ PHE 106 HZ PHE 106 -4.646 8.596 -9.586 641 H SER 107 H SER 107 -9.865 3.177 -10.990 642 HA SER 107 HA SER 107 -11.441 1.404 -9.323 643 1HB SER 107 2HB SER 107 -12.699 3.159 -11.201 644 2HB SER 107 3HB SER 107 -12.859 1.503 -11.785 645 HG SER 107 HG SER 107 -14.563 1.903 -10.416 646 H GLU 108 H GLU 108 -12.194 -0.523 -10.903 647 HA GLU 108 HA GLU 108 -9.712 -1.409 -12.182 648 1HB GLU 108 2HB GLU 108 -12.138 -2.985 -11.302 649 2HB GLU 108 3HB GLU 108 -10.690 -3.675 -12.022 650 1HG GLU 108 2HG GLU 108 -10.682 -2.101 -9.462 651 2HG GLU 108 3HG GLU 108 -10.842 -3.855 -9.534 652 H THR 109 H THR 109 -9.591 -1.995 -14.294 653 HA THR 109 HA THR 109 -12.049 -1.951 -15.898 654 HB THR 109 HB THR 109 -10.547 -0.783 -17.698 655 HG1 THR 109 HG1 THR 109 -9.376 0.224 -15.304 656 1HG2 THR 109 1HG2 THR 109 -11.162 1.487 -16.491 657 2HG2 THR 109 2HG2 THR 109 -12.052 0.406 -15.419 658 3HG2 THR 109 3HG2 THR 109 -12.413 0.431 -17.145 659 HA PRO 110 HA PRO 110 -9.312 -5.596 -16.840 660 1HB PRO 110 2HB PRO 110 -11.304 -7.434 -16.700 661 2HB PRO 110 3HB PRO 110 -10.378 -6.911 -15.288 662 1HG PRO 110 2HG PRO 110 -13.087 -6.030 -16.208 663 2HG PRO 110 3HG PRO 110 -12.532 -6.410 -14.568 664 1HD PRO 110 2HD PRO 110 -12.768 -3.869 -15.473 665 2HD PRO 110 3HD PRO 110 -11.532 -4.352 -14.292 666 H GLN 111 H GLN 111 -9.767 -7.317 -18.566 667 HA GLN 111 HA GLN 111 -11.705 -6.615 -20.582 668 1HB GLN 111 2HB GLN 111 -9.246 -5.348 -20.727 669 2HB GLN 111 3HB GLN 111 -9.071 -6.706 -21.830 670 1HG GLN 111 2HG GLN 111 -10.442 -5.810 -23.345 671 2HG GLN 111 3HG GLN 111 -11.590 -5.259 -22.126 672 1HE2 GLN 111 1HE2 GLN 111 -11.705 -3.376 -23.548 673 2HE2 GLN 111 2HE2 GLN 111 -10.547 -2.110 -23.346 674 H SER 112 H SER 112 -10.996 -8.916 -18.922 675 HA SER 112 HA SER 112 -9.851 -10.859 -20.739 676 1HB SER 112 2HB SER 112 -11.100 -11.285 -18.014 677 2HB SER 112 3HB SER 112 -10.113 -12.443 -18.905 678 HG SER 112 HG SER 112 -8.855 -11.357 -17.372 679 H GLN 113 H GLN 113 -12.987 -9.785 -19.728 680 HA GLN 113 HA GLN 113 -14.538 -12.020 -20.355 681 1HB GLN 113 2HB GLN 113 -16.406 -10.433 -20.607 682 2HB GLN 113 3HB GLN 113 -15.456 -10.111 -19.163 683 1HG GLN 113 2HG GLN 113 -14.283 -8.543 -21.128 684 2HG GLN 113 3HG GLN 113 -16.016 -8.410 -21.424 685 1HE2 GLN 113 1HE2 GLN 113 -13.404 -7.593 -19.360 686 2HE2 GLN 113 2HE2 GLN 113 -14.293 -6.610 -18.252 687 H VAL 114 H VAL 114 -12.999 -9.671 -22.399 688 HA VAL 114 HA VAL 114 -14.390 -10.738 -24.757 689 HB VAL 114 HB VAL 114 -13.570 -8.820 -25.978 690 1HG1 VAL 114 1HG1 VAL 114 -15.614 -8.373 -24.907 691 2HG1 VAL 114 2HG1 VAL 114 -14.847 -8.216 -23.326 692 3HG1 VAL 114 3HG1 VAL 114 -14.598 -6.976 -24.555 693 1HG2 VAL 114 1HG2 VAL 114 -12.418 -7.017 -24.422 694 2HG2 VAL 114 2HG2 VAL 114 -11.883 -8.458 -23.558 695 3HG2 VAL 114 3HG2 VAL 114 -11.477 -8.250 -25.261 696 H ALA 115 H ALA 115 -12.186 -12.062 -23.228 697 HA ALA 115 HA ALA 115 -9.853 -11.950 -24.890 698 1HB ALA 115 1HB ALA 115 -8.922 -13.566 -23.462 699 2HB ALA 115 2HB ALA 115 -9.935 -12.562 -22.423 700 3HB ALA 115 3HB ALA 115 -10.506 -14.146 -22.948 701 H GLU 116 H GLU 116 -12.361 -14.425 -24.335 702 HA GLU 116 HA GLU 116 -11.509 -16.314 -26.159 703 1HB GLU 116 2HB GLU 116 -13.793 -17.139 -26.194 704 2HB GLU 116 3HB GLU 116 -13.353 -16.661 -24.560 705 1HG GLU 116 2HG GLU 116 -14.477 -14.420 -25.149 706 2HG GLU 116 3HG GLU 116 -15.211 -15.317 -26.477 707 H ASP 117 H ASP 117 -13.184 -13.303 -26.718 708 HA ASP 117 HA ASP 117 -12.984 -13.793 -29.614 709 1HB ASP 117 2HB ASP 117 -15.356 -13.318 -28.081 710 2HB ASP 117 3HB ASP 117 -15.088 -11.946 -29.153 Start of MODEL 9 1 H THR 22 H THR 22 7.092 -5.381 -3.796 2 HA THR 22 HA THR 22 6.459 -2.541 -3.489 3 HB THR 22 HB THR 22 8.601 -3.598 -5.308 4 HG1 THR 22 HG1 THR 22 9.990 -3.743 -3.576 5 1HG2 THR 22 1HG2 THR 22 8.868 -1.190 -3.582 6 2HG2 THR 22 2HG2 THR 22 7.769 -1.102 -4.959 7 3HG2 THR 22 3HG2 THR 22 9.471 -1.485 -5.212 8 HA PRO 23 HA PRO 23 4.099 -3.792 -7.319 9 1HB PRO 23 2HB PRO 23 1.786 -2.566 -6.601 10 2HB PRO 23 3HB PRO 23 2.179 -4.225 -6.134 11 1HG PRO 23 2HG PRO 23 2.433 -1.699 -4.547 12 2HG PRO 23 3HG PRO 23 1.827 -3.286 -4.036 13 1HD PRO 23 2HD PRO 23 4.330 -2.428 -3.461 14 2HD PRO 23 3HD PRO 23 3.947 -4.139 -3.738 15 HA PRO 24 HA PRO 24 5.331 0.327 -8.700 16 1HB PRO 24 2HB PRO 24 5.428 -0.340 -11.330 17 2HB PRO 24 3HB PRO 24 6.730 -0.715 -10.195 18 1HG PRO 24 2HG PRO 24 4.539 -2.482 -11.215 19 2HG PRO 24 3HG PRO 24 6.260 -2.849 -10.991 20 1HD PRO 24 2HD PRO 24 4.363 -3.621 -9.219 21 2HD PRO 24 3HD PRO 24 6.018 -3.208 -8.727 22 H HIS 25 H HIS 25 2.832 -1.681 -10.238 23 HA HIS 25 HA HIS 25 0.872 0.366 -10.061 24 1HB HIS 25 2HB HIS 25 0.541 0.793 -12.447 25 2HB HIS 25 3HB HIS 25 2.156 1.286 -11.948 26 HD1 HIS 25 HD1 HIS 25 0.362 -1.306 -13.982 27 HD2 HIS 25 HD2 HIS 25 4.248 -0.094 -13.152 28 HE1 HIS 25 HE1 HIS 25 1.813 -2.523 -15.636 29 H THR 26 H THR 26 -1.131 -0.494 -10.171 30 HA THR 26 HA THR 26 -1.309 -3.343 -10.849 31 HB THR 26 HB THR 26 -3.604 -3.090 -9.678 32 HG1 THR 26 HG1 THR 26 -3.919 -1.291 -8.521 33 1HG2 THR 26 1HG2 THR 26 -1.606 -4.255 -8.752 34 2HG2 THR 26 2HG2 THR 26 -2.618 -3.504 -7.519 35 3HG2 THR 26 3HG2 THR 26 -1.111 -2.733 -8.013 36 H GLU 27 H GLU 27 -1.241 -2.491 -13.162 37 HA GLU 27 HA GLU 27 -2.304 -2.240 -15.158 38 1HB GLU 27 2HB GLU 27 -4.853 -2.802 -13.639 39 2HB GLU 27 3HB GLU 27 -4.585 -2.989 -15.366 40 1HG GLU 27 2HG GLU 27 -3.782 -5.038 -15.108 41 2HG GLU 27 3HG GLU 27 -2.680 -4.523 -13.832 42 HA PRO 28 HA PRO 28 -3.627 1.939 -15.368 43 1HB PRO 28 2HB PRO 28 -4.931 1.954 -17.749 44 2HB PRO 28 3HB PRO 28 -3.172 1.842 -17.618 45 1HG PRO 28 2HG PRO 28 -5.181 -0.332 -18.063 46 2HG PRO 28 3HG PRO 28 -3.610 -0.082 -18.848 47 1HD PRO 28 2HD PRO 28 -3.970 -1.868 -16.845 48 2HD PRO 28 3HD PRO 28 -2.442 -0.997 -17.085 49 H SER 29 H SER 29 -5.549 3.339 -15.583 50 HA SER 29 HA SER 29 -8.157 2.132 -15.395 51 1HB SER 29 2HB SER 29 -7.370 3.757 -13.000 52 2HB SER 29 3HB SER 29 -8.669 2.577 -13.168 53 HG SER 29 HG SER 29 -5.885 2.067 -12.995 54 H GLN 30 H GLN 30 -9.052 3.422 -16.892 55 HA GLN 30 HA GLN 30 -8.561 6.299 -16.804 56 1HB GLN 30 2HB GLN 30 -10.220 4.824 -18.840 57 2HB GLN 30 3HB GLN 30 -9.465 6.404 -18.996 58 1HG GLN 30 2HG GLN 30 -7.244 5.211 -18.796 59 2HG GLN 30 3HG GLN 30 -8.145 3.710 -18.999 60 1HE2 GLN 30 1HE2 GLN 30 -6.298 4.099 -20.805 61 2HE2 GLN 30 2HE2 GLN 30 -6.954 4.615 -22.318 62 H VAL 31 H VAL 31 -10.294 4.727 -14.886 63 HA VAL 31 HA VAL 31 -12.628 6.493 -15.084 64 HB VAL 31 HB VAL 31 -14.166 4.735 -14.477 65 1HG1 VAL 31 1HG1 VAL 31 -14.444 4.062 -16.593 66 2HG1 VAL 31 2HG1 VAL 31 -12.999 5.015 -16.937 67 3HG1 VAL 31 3HG1 VAL 31 -12.864 3.280 -16.649 68 1HG2 VAL 31 1HG2 VAL 31 -13.078 2.315 -14.720 69 2HG2 VAL 31 2HG2 VAL 31 -11.671 3.181 -14.104 70 3HG2 VAL 31 3HG2 VAL 31 -13.170 3.160 -13.175 71 H VAL 32 H VAL 32 -13.437 7.209 -13.143 72 HA VAL 32 HA VAL 32 -11.976 6.349 -10.730 73 HB VAL 32 HB VAL 32 -12.062 8.571 -9.858 74 1HG1 VAL 32 1HG1 VAL 32 -10.739 9.812 -11.513 75 2HG1 VAL 32 2HG1 VAL 32 -10.223 8.129 -11.386 76 3HG1 VAL 32 3HG1 VAL 32 -11.212 8.649 -12.751 77 1HG2 VAL 32 1HG2 VAL 32 -12.997 10.281 -11.774 78 2HG2 VAL 32 2HG2 VAL 32 -14.115 8.925 -11.913 79 3HG2 VAL 32 3HG2 VAL 32 -13.907 9.740 -10.364 80 H LEU 33 H LEU 33 -13.132 5.983 -8.883 81 HA LEU 33 HA LEU 33 -16.059 6.038 -9.168 82 1HB LEU 33 2HB LEU 33 -15.575 3.841 -8.768 83 2HB LEU 33 3HB LEU 33 -14.154 4.218 -7.797 84 HG LEU 33 HG LEU 33 -15.569 4.789 -5.906 85 1HD1 LEU 33 1HD1 LEU 33 -17.700 5.346 -6.138 86 2HD1 LEU 33 2HD1 LEU 33 -18.074 3.759 -6.810 87 3HD1 LEU 33 3HD1 LEU 33 -17.563 5.069 -7.874 88 1HD2 LEU 33 1HD2 LEU 33 -16.312 2.596 -5.347 89 2HD2 LEU 33 2HD2 LEU 33 -14.862 2.425 -6.338 90 3HD2 LEU 33 3HD2 LEU 33 -16.453 2.145 -7.047 91 H ILE 34 H ILE 34 -17.093 7.561 -8.077 92 HA ILE 34 HA ILE 34 -15.806 8.726 -5.703 93 HB ILE 34 HB ILE 34 -17.301 10.655 -6.028 94 1HG1 ILE 34 2HG1 ILE 34 -18.874 8.969 -7.470 95 2HG1 ILE 34 3HG1 ILE 34 -18.988 10.724 -7.537 96 1HG2 ILE 34 1HG2 ILE 34 -15.604 9.849 -8.381 97 2HG2 ILE 34 2HG2 ILE 34 -16.267 11.467 -8.161 98 3HG2 ILE 34 3HG2 ILE 34 -15.126 10.816 -6.986 99 1HD1 ILE 34 1HD1 ILE 34 -18.948 9.579 -9.749 100 2HD1 ILE 34 2HD1 ILE 34 -17.698 10.804 -9.531 101 3HD1 ILE 34 3HD1 ILE 34 -17.289 9.093 -9.403 102 H THR 35 H THR 35 -16.973 9.039 -3.800 103 HA THR 35 HA THR 35 -19.659 7.901 -3.629 104 HB THR 35 HB THR 35 -19.144 6.485 -1.746 105 HG1 THR 35 HG1 THR 35 -16.380 6.988 -2.050 106 1HG2 THR 35 1HG2 THR 35 -17.194 6.031 -4.009 107 2HG2 THR 35 2HG2 THR 35 -18.863 5.465 -3.935 108 3HG2 THR 35 3HG2 THR 35 -17.664 4.824 -2.812 109 H ASN 36 H ASN 36 -20.176 8.009 -1.022 110 HA ASN 36 HA ASN 36 -20.680 9.375 0.727 111 1HB ASN 36 2HB ASN 36 -17.966 9.781 0.281 112 2HB ASN 36 3HB ASN 36 -18.633 11.410 0.327 113 1HD2 ASN 36 1HD2 ASN 36 -17.258 9.118 2.160 114 2HD2 ASN 36 2HD2 ASN 36 -17.921 9.519 3.705 115 H ILE 37 H ILE 37 -21.604 9.889 -2.050 116 HA ILE 37 HA ILE 37 -22.027 12.786 -2.006 117 HB ILE 37 HB ILE 37 -23.065 12.425 -4.254 118 1HG1 ILE 37 2HG1 ILE 37 -21.922 9.637 -4.005 119 2HG1 ILE 37 3HG1 ILE 37 -23.633 10.013 -3.830 120 1HG2 ILE 37 1HG2 ILE 37 -20.763 13.144 -4.060 121 2HG2 ILE 37 2HG2 ILE 37 -20.229 11.474 -3.884 122 3HG2 ILE 37 3HG2 ILE 37 -20.927 12.020 -5.409 123 1HD1 ILE 37 1HD1 ILE 37 -23.712 9.529 -6.010 124 2HD1 ILE 37 2HD1 ILE 37 -23.090 11.167 -6.217 125 3HD1 ILE 37 3HD1 ILE 37 -21.983 9.794 -6.237 126 H ASN 38 H ASN 38 -23.988 13.720 -1.699 127 HA ASN 38 HA ASN 38 -26.053 12.089 -0.518 128 1HB ASN 38 2HB ASN 38 -25.257 14.823 -0.391 129 2HB ASN 38 3HB ASN 38 -26.940 14.771 -0.907 130 1HD2 ASN 38 1HD2 ASN 38 -28.171 15.143 0.785 131 2HD2 ASN 38 2HD2 ASN 38 -27.998 14.425 2.347 132 HA PRO 39 HA PRO 39 -28.239 11.505 -4.339 133 1HB PRO 39 2HB PRO 39 -30.433 10.328 -3.255 134 2HB PRO 39 3HB PRO 39 -28.895 9.483 -3.467 135 1HG PRO 39 2HG PRO 39 -30.031 10.762 -1.010 136 2HG PRO 39 3HG PRO 39 -29.199 9.205 -1.179 137 1HD PRO 39 2HD PRO 39 -27.959 11.426 -0.251 138 2HD PRO 39 3HD PRO 39 -27.110 10.179 -1.186 139 H GLU 40 H GLU 40 -29.036 13.583 -1.804 140 HA GLU 40 HA GLU 40 -31.631 14.383 -2.272 141 1HB GLU 40 2HB GLU 40 -29.238 15.584 -1.089 142 2HB GLU 40 3HB GLU 40 -30.349 16.769 -1.762 143 1HG GLU 40 2HG GLU 40 -32.040 15.129 -0.390 144 2HG GLU 40 3HG GLU 40 -30.595 15.098 0.619 145 H VAL 41 H VAL 41 -28.783 14.976 -4.182 146 HA VAL 41 HA VAL 41 -30.171 16.909 -5.872 147 HB VAL 41 HB VAL 41 -27.860 17.416 -5.316 148 1HG1 VAL 41 1HG1 VAL 41 -26.023 16.007 -6.149 149 2HG1 VAL 41 2HG1 VAL 41 -27.025 15.165 -4.965 150 3HG1 VAL 41 3HG1 VAL 41 -27.201 14.810 -6.684 151 1HG2 VAL 41 1HG2 VAL 41 -26.956 17.653 -7.632 152 2HG2 VAL 41 2HG2 VAL 41 -28.306 16.673 -8.203 153 3HG2 VAL 41 3HG2 VAL 41 -28.611 18.232 -7.437 154 HA PRO 42 HA PRO 42 -31.435 13.793 -8.745 155 1HB PRO 42 2HB PRO 42 -32.090 15.449 -10.794 156 2HB PRO 42 3HB PRO 42 -33.096 15.259 -9.353 157 1HG PRO 42 2HG PRO 42 -31.130 17.416 -10.019 158 2HG PRO 42 3HG PRO 42 -32.746 17.557 -9.302 159 1HD PRO 42 2HD PRO 42 -30.481 17.671 -7.823 160 2HD PRO 42 3HD PRO 42 -31.998 16.995 -7.195 161 H LYS 43 H LYS 43 -30.461 12.605 -10.296 162 HA LYS 43 HA LYS 43 -27.822 12.870 -10.970 163 1HB LYS 43 2HB LYS 43 -28.866 10.791 -11.394 164 2HB LYS 43 3HB LYS 43 -30.091 11.524 -12.421 165 1HG LYS 43 2HG LYS 43 -27.380 11.948 -13.397 166 2HG LYS 43 3HG LYS 43 -27.826 10.244 -13.279 167 1HD LYS 43 2HD LYS 43 -30.063 11.265 -14.403 168 2HD LYS 43 3HD LYS 43 -28.843 12.354 -15.068 169 1HE LYS 43 2HE LYS 43 -27.625 9.969 -15.423 170 2HE LYS 43 3HE LYS 43 -29.314 9.489 -15.576 171 1HZ LYS 43 1HZ LYS 43 -29.511 11.394 -17.202 172 2HZ LYS 43 2HZ LYS 43 -28.621 10.054 -17.724 173 3HZ LYS 43 3HZ LYS 43 -27.820 11.452 -17.209 174 H GLU 44 H GLU 44 -30.600 14.323 -12.540 175 HA GLU 44 HA GLU 44 -29.539 15.127 -14.951 176 1HB GLU 44 2HB GLU 44 -31.875 15.599 -13.612 177 2HB GLU 44 3HB GLU 44 -31.141 17.196 -13.607 178 1HG GLU 44 2HG GLU 44 -31.719 15.502 -16.025 179 2HG GLU 44 3HG GLU 44 -32.596 16.943 -15.515 180 H LYS 45 H LYS 45 -29.510 17.002 -11.918 181 HA LYS 45 HA LYS 45 -27.621 18.892 -13.026 182 1HB LYS 45 2HB LYS 45 -28.821 18.641 -10.262 183 2HB LYS 45 3HB LYS 45 -27.763 19.950 -10.772 184 1HG LYS 45 2HG LYS 45 -29.385 20.653 -12.430 185 2HG LYS 45 3HG LYS 45 -30.435 19.301 -12.002 186 1HD LYS 45 2HD LYS 45 -29.774 20.738 -9.628 187 2HD LYS 45 3HD LYS 45 -30.338 21.884 -10.846 188 1HE LYS 45 2HE LYS 45 -32.155 19.903 -11.142 189 2HE LYS 45 3HE LYS 45 -31.790 19.750 -9.424 190 1HZ LYS 45 1HZ LYS 45 -32.629 21.812 -8.967 191 2HZ LYS 45 2HZ LYS 45 -33.643 21.364 -10.244 192 3HZ LYS 45 3HZ LYS 45 -32.346 22.414 -10.522 193 H LEU 46 H LEU 46 -27.636 16.367 -10.543 194 HA LEU 46 HA LEU 46 -25.110 16.710 -9.481 195 1HB LEU 46 2HB LEU 46 -26.029 15.051 -8.310 196 2HB LEU 46 3HB LEU 46 -27.061 14.564 -9.653 197 HG LEU 46 HG LEU 46 -25.134 13.293 -10.589 198 1HD1 LEU 46 1HD1 LEU 46 -23.137 13.958 -9.808 199 2HD1 LEU 46 2HD1 LEU 46 -23.474 12.821 -8.502 200 3HD1 LEU 46 3HD1 LEU 46 -23.808 14.539 -8.284 201 1HD2 LEU 46 1HD2 LEU 46 -25.133 11.623 -8.548 202 2HD2 LEU 46 2HD2 LEU 46 -26.577 11.872 -9.530 203 3HD2 LEU 46 3HD2 LEU 46 -26.417 12.688 -7.974 204 H GLN 47 H GLN 47 -26.037 14.771 -12.315 205 HA GLN 47 HA GLN 47 -23.441 13.871 -12.932 206 1HB GLN 47 2HB GLN 47 -25.471 12.823 -13.832 207 2HB GLN 47 3HB GLN 47 -25.808 14.271 -14.770 208 1HG GLN 47 2HG GLN 47 -23.327 13.738 -15.638 209 2HG GLN 47 3HG GLN 47 -23.871 12.107 -15.252 210 1HE2 GLN 47 1HE2 GLN 47 -24.808 11.073 -16.849 211 2HE2 GLN 47 2HE2 GLN 47 -25.656 11.788 -18.174 212 H ALA 48 H ALA 48 -25.338 16.590 -14.221 213 HA ALA 48 HA ALA 48 -23.464 17.533 -16.058 214 1HB ALA 48 1HB ALA 48 -25.922 18.237 -15.650 215 2HB ALA 48 2HB ALA 48 -25.223 19.413 -14.535 216 3HB ALA 48 3HB ALA 48 -24.770 19.437 -16.240 217 H LEU 49 H LEU 49 -23.675 17.957 -12.593 218 HA LEU 49 HA LEU 49 -21.790 20.089 -12.422 219 1HB LEU 49 2HB LEU 49 -23.463 18.621 -10.652 220 2HB LEU 49 3HB LEU 49 -21.819 18.578 -10.018 221 HG LEU 49 HG LEU 49 -22.938 20.412 -8.999 222 1HD1 LEU 49 1HD1 LEU 49 -21.261 21.873 -9.250 223 2HD1 LEU 49 2HD1 LEU 49 -21.525 22.030 -10.987 224 3HD1 LEU 49 3HD1 LEU 49 -20.593 20.672 -10.357 225 1HD2 LEU 49 1HD2 LEU 49 -23.516 22.156 -11.151 226 2HD2 LEU 49 2HD2 LEU 49 -24.636 21.430 -9.998 227 3HD2 LEU 49 3HD2 LEU 49 -24.264 20.600 -11.510 228 H LEU 50 H LEU 50 -21.570 16.591 -11.797 229 HA LEU 50 HA LEU 50 -18.891 16.467 -11.089 230 1HB LEU 50 2HB LEU 50 -20.571 14.463 -12.584 231 2HB LEU 50 3HB LEU 50 -18.980 14.117 -11.910 232 HG LEU 50 HG LEU 50 -21.441 14.872 -10.333 233 1HD1 LEU 50 1HD1 LEU 50 -21.415 12.592 -11.393 234 2HD1 LEU 50 2HD1 LEU 50 -21.538 12.611 -9.634 235 3HD1 LEU 50 3HD1 LEU 50 -19.998 12.233 -10.406 236 1HD2 LEU 50 1HD2 LEU 50 -18.586 14.381 -9.577 237 2HD2 LEU 50 2HD2 LEU 50 -19.890 14.025 -8.444 238 3HD2 LEU 50 3HD2 LEU 50 -19.676 15.666 -9.055 239 H TYR 51 H TYR 51 -20.356 16.859 -14.217 240 HA TYR 51 HA TYR 51 -18.049 16.160 -15.748 241 1HB TYR 51 2HB TYR 51 -20.463 16.184 -16.558 242 2HB TYR 51 3HB TYR 51 -20.316 17.935 -16.654 243 HD1 TYR 51 HD1 TYR 51 -20.052 14.971 -18.475 244 HD2 TYR 51 HD2 TYR 51 -18.155 18.749 -17.998 245 HE1 TYR 51 HE1 TYR 51 -19.079 14.759 -20.724 246 HE2 TYR 51 HE2 TYR 51 -17.177 18.548 -20.246 247 HH TYR 51 HH TYR 51 -17.061 15.687 -21.951 248 H ALA 52 H ALA 52 -19.492 19.233 -14.713 249 HA ALA 52 HA ALA 52 -17.820 21.017 -15.983 250 1HB ALA 52 1HB ALA 52 -19.681 21.098 -13.818 251 2HB ALA 52 2HB ALA 52 -18.261 22.060 -13.403 252 3HB ALA 52 3HB ALA 52 -19.156 22.403 -14.883 253 H LEU 53 H LEU 53 -17.359 19.650 -12.720 254 HA LEU 53 HA LEU 53 -14.829 20.804 -12.288 255 1HB LEU 53 2HB LEU 53 -15.848 18.230 -11.104 256 2HB LEU 53 3HB LEU 53 -14.624 19.305 -10.431 257 HG LEU 53 HG LEU 53 -17.514 20.085 -10.782 258 1HD1 LEU 53 1HD1 LEU 53 -17.284 18.161 -9.252 259 2HD1 LEU 53 2HD1 LEU 53 -17.822 19.628 -8.436 260 3HD1 LEU 53 3HD1 LEU 53 -16.147 19.098 -8.283 261 1HD2 LEU 53 1HD2 LEU 53 -15.232 21.594 -10.280 262 2HD2 LEU 53 2HD2 LEU 53 -15.992 21.390 -8.701 263 3HD2 LEU 53 3HD2 LEU 53 -16.907 22.091 -10.037 264 H ALA 54 H ALA 54 -15.793 17.643 -13.561 265 HA ALA 54 HA ALA 54 -13.285 16.455 -13.742 266 1HB ALA 54 1HB ALA 54 -15.303 15.185 -14.095 267 2HB ALA 54 2HB ALA 54 -15.680 16.120 -15.543 268 3HB ALA 54 3HB ALA 54 -14.276 15.053 -15.523 269 H SER 55 H SER 55 -15.033 18.275 -16.264 270 HA SER 55 HA SER 55 -13.024 18.199 -18.199 271 1HB SER 55 2HB SER 55 -15.305 18.894 -18.725 272 2HB SER 55 3HB SER 55 -15.122 20.331 -17.719 273 HG SER 55 HG SER 55 -14.568 21.148 -19.602 274 H SER 56 H SER 56 -13.435 20.254 -15.409 275 HA SER 56 HA SER 56 -11.725 22.354 -16.068 276 1HB SER 56 2HB SER 56 -13.187 21.593 -13.828 277 2HB SER 56 3HB SER 56 -11.516 21.586 -13.265 278 HG SER 56 HG SER 56 -12.664 23.649 -13.124 279 H GLN 57 H GLN 57 -11.030 19.078 -15.254 280 HA GLN 57 HA GLN 57 -8.166 19.715 -15.017 281 1HB GLN 57 2HB GLN 57 -9.719 17.314 -14.041 282 2HB GLN 57 3HB GLN 57 -7.967 17.447 -13.976 283 1HG GLN 57 2HG GLN 57 -9.619 19.585 -12.730 284 2HG GLN 57 3HG GLN 57 -9.446 18.038 -11.902 285 1HE2 GLN 57 1HE2 GLN 57 -6.921 17.314 -12.336 286 2HE2 GLN 57 2HE2 GLN 57 -5.816 18.474 -11.691 287 HN2 GLY 58 H GLY 58 -9.919 16.756 -15.931 288 1HA GLY 58 2HA GLY 58 -8.322 16.720 -18.419 289 2HA GLY 58 3HA GLY 58 -8.688 15.271 -17.494 290 H ASP 59 H ASP 59 -9.301 15.161 -20.073 291 HA ASP 59 HA ASP 59 -11.946 16.089 -20.659 292 1HB ASP 59 2HB ASP 59 -9.801 14.727 -22.069 293 2HB ASP 59 3HB ASP 59 -11.372 14.022 -22.442 294 H ILE 60 H ILE 60 -13.843 14.880 -20.841 295 HA ILE 60 HA ILE 60 -13.843 12.392 -19.266 296 HB ILE 60 HB ILE 60 -16.140 14.287 -19.770 297 1HG1 ILE 60 2HG1 ILE 60 -15.710 14.307 -17.083 298 2HG1 ILE 60 3HG1 ILE 60 -14.063 14.133 -17.678 299 1HG2 ILE 60 1HG2 ILE 60 -16.582 12.573 -17.561 300 2HG2 ILE 60 2HG2 ILE 60 -17.468 12.651 -19.082 301 3HG2 ILE 60 3HG2 ILE 60 -16.081 11.574 -18.925 302 1HD1 ILE 60 1HD1 ILE 60 -14.010 16.318 -17.988 303 2HD1 ILE 60 2HD1 ILE 60 -15.241 16.136 -19.239 304 3HD1 ILE 60 3HD1 ILE 60 -15.718 16.459 -17.572 305 H LEU 61 H LEU 61 -14.561 10.544 -20.148 306 HA LEU 61 HA LEU 61 -15.411 10.627 -22.949 307 1HB LEU 61 2HB LEU 61 -14.780 8.121 -21.444 308 2HB LEU 61 3HB LEU 61 -14.646 8.445 -23.171 309 HG LEU 61 HG LEU 61 -12.796 9.398 -20.989 310 1HD1 LEU 61 1HD1 LEU 61 -11.219 7.938 -21.860 311 2HD1 LEU 61 2HD1 LEU 61 -12.072 7.769 -23.393 312 3HD1 LEU 61 3HD1 LEU 61 -12.711 7.001 -21.940 313 1HD2 LEU 61 1HD2 LEU 61 -12.613 11.197 -22.356 314 2HD2 LEU 61 2HD2 LEU 61 -13.203 10.325 -23.771 315 3HD2 LEU 61 3HD2 LEU 61 -11.537 10.107 -23.232 316 H ASP 62 H ASP 62 -16.533 9.839 -19.769 317 HA ASP 62 HA ASP 62 -19.233 9.833 -20.474 318 1HB ASP 62 2HB ASP 62 -18.033 7.437 -21.221 319 2HB ASP 62 3HB ASP 62 -18.819 7.061 -19.690 320 H ILE 63 H ILE 63 -20.263 10.390 -18.677 321 HA ILE 63 HA ILE 63 -19.022 9.735 -16.095 322 HB ILE 63 HB ILE 63 -21.077 11.859 -16.718 323 1HG1 ILE 63 2HG1 ILE 63 -18.098 12.066 -16.232 324 2HG1 ILE 63 3HG1 ILE 63 -18.928 12.375 -17.753 325 1HG2 ILE 63 1HG2 ILE 63 -20.655 12.671 -14.477 326 2HG2 ILE 63 2HG2 ILE 63 -21.177 10.989 -14.418 327 3HG2 ILE 63 3HG2 ILE 63 -19.472 11.391 -14.209 328 1HD1 ILE 63 1HD1 ILE 63 -18.448 14.477 -16.816 329 2HD1 ILE 63 2HD1 ILE 63 -20.171 14.210 -16.549 330 3HD1 ILE 63 3HD1 ILE 63 -19.029 13.986 -15.225 331 H VAL 64 H VAL 64 -19.877 8.015 -15.136 332 HA VAL 64 HA VAL 64 -22.704 7.378 -15.552 333 HB VAL 64 HB VAL 64 -20.561 5.722 -14.214 334 1HG1 VAL 64 1HG1 VAL 64 -22.376 4.670 -13.403 335 2HG1 VAL 64 2HG1 VAL 64 -23.455 5.390 -14.599 336 3HG1 VAL 64 3HG1 VAL 64 -22.475 3.987 -15.025 337 1HG2 VAL 64 1HG2 VAL 64 -20.689 4.369 -16.314 338 2HG2 VAL 64 2HG2 VAL 64 -21.648 5.667 -17.024 339 3HG2 VAL 64 3HG2 VAL 64 -19.986 5.973 -16.520 340 H VAL 65 H VAL 65 -24.151 7.092 -13.856 341 HA VAL 65 HA VAL 65 -23.260 7.773 -11.155 342 HB VAL 65 HB VAL 65 -25.628 9.151 -12.424 343 1HG1 VAL 65 1HG1 VAL 65 -24.951 8.727 -9.754 344 2HG1 VAL 65 2HG1 VAL 65 -24.480 10.395 -10.087 345 3HG1 VAL 65 3HG1 VAL 65 -26.138 9.869 -10.382 346 1HG2 VAL 65 1HG2 VAL 65 -22.788 10.058 -12.062 347 2HG2 VAL 65 2HG2 VAL 65 -23.779 10.095 -13.520 348 3HG2 VAL 65 3HG2 VAL 65 -24.124 11.203 -12.192 349 H ASP 66 H ASP 66 -24.278 6.638 -9.607 350 HA ASP 66 HA ASP 66 -25.909 4.448 -10.277 351 1HB ASP 66 2HB ASP 66 -24.489 5.242 -8.048 352 2HB ASP 66 3HB ASP 66 -26.161 5.343 -7.503 353 H LEU 67 H LEU 67 -27.913 4.423 -8.331 354 HA LEU 67 HA LEU 67 -29.867 6.174 -9.606 355 1HB LEU 67 2HB LEU 67 -31.492 4.767 -8.254 356 2HB LEU 67 3HB LEU 67 -30.609 3.960 -9.548 357 HG LEU 67 HG LEU 67 -30.920 2.748 -7.290 358 1HD1 LEU 67 1HD1 LEU 67 -28.763 2.815 -9.200 359 2HD1 LEU 67 2HD1 LEU 67 -29.503 1.438 -8.385 360 3HD1 LEU 67 3HD1 LEU 67 -28.187 2.319 -7.609 361 1HD2 LEU 67 1HD2 LEU 67 -29.276 3.210 -5.604 362 2HD2 LEU 67 2HD2 LEU 67 -30.176 4.691 -5.931 363 3HD2 LEU 67 3HD2 LEU 67 -28.553 4.480 -6.592 364 H SER 68 H SER 68 -27.829 6.941 -7.463 365 HA SER 68 HA SER 68 -27.712 8.233 -5.587 366 1HB SER 68 2HB SER 68 -30.463 9.269 -6.170 367 2HB SER 68 3HB SER 68 -29.029 10.147 -5.640 368 HG SER 68 HG SER 68 -28.614 10.522 -7.653 369 H ASP 69 H ASP 69 -28.116 5.948 -4.603 370 HA ASP 69 HA ASP 69 -30.628 5.563 -3.274 371 1HB ASP 69 2HB ASP 69 -28.261 4.028 -3.756 372 2HB ASP 69 3HB ASP 69 -28.605 4.007 -2.029 373 H ASP 70 H ASP 70 -31.096 5.778 -1.090 374 HA ASP 70 HA ASP 70 -29.768 7.928 0.244 375 1HB ASP 70 2HB ASP 70 -32.014 6.081 1.051 376 2HB ASP 70 3HB ASP 70 -31.393 7.341 2.114 377 H ASN 71 H ASN 71 -29.069 4.685 -0.004 378 HA ASN 71 HA ASN 71 -27.611 4.707 2.557 379 1HB ASN 71 2HB ASN 71 -28.527 2.232 1.088 380 2HB ASN 71 3HB ASN 71 -27.875 2.333 2.721 381 1HD2 ASN 71 1HD2 ASN 71 -30.525 1.506 1.376 382 2HD2 ASN 71 2HD2 ASN 71 -31.718 2.241 2.387 383 H SER 72 H SER 72 -27.335 4.764 -0.773 384 HA SER 72 HA SER 72 -24.579 3.724 -0.648 385 1HB SER 72 2HB SER 72 -26.732 3.086 -2.450 386 2HB SER 72 3HB SER 72 -25.397 3.807 -3.350 387 HG SER 72 HG SER 72 -25.286 1.475 -3.043 388 HN2 GLY 73 H GLY 73 -26.390 5.714 -2.983 389 1HA GLY 73 2HA GLY 73 -25.833 7.689 -4.016 390 2HA GLY 73 3HA GLY 73 -25.299 8.187 -2.417 391 H LYS 74 H LYS 74 -24.316 6.860 -5.494 392 HA LYS 74 HA LYS 74 -21.647 7.898 -5.101 393 1HB LYS 74 2HB LYS 74 -20.535 5.757 -5.653 394 2HB LYS 74 3HB LYS 74 -21.384 5.701 -4.114 395 1HG LYS 74 2HG LYS 74 -23.171 4.436 -5.064 396 2HG LYS 74 3HG LYS 74 -22.524 4.650 -6.693 397 1HD LYS 74 2HD LYS 74 -21.303 2.809 -6.451 398 2HD LYS 74 3HD LYS 74 -20.475 3.534 -5.070 399 1HE LYS 74 2HE LYS 74 -22.426 2.789 -3.660 400 2HE LYS 74 3HE LYS 74 -22.987 1.872 -5.057 401 1HZ LYS 74 1HZ LYS 74 -20.237 1.504 -4.077 402 2HZ LYS 74 2HZ LYS 74 -21.224 0.422 -4.923 403 3HZ LYS 74 3HZ LYS 74 -21.516 0.729 -3.286 404 H ALA 75 H ALA 75 -20.280 7.297 -7.150 405 HA ALA 75 HA ALA 75 -21.739 6.833 -9.568 406 1HB ALA 75 1HB ALA 75 -21.144 9.121 -10.525 407 2HB ALA 75 2HB ALA 75 -22.505 9.043 -9.406 408 3HB ALA 75 3HB ALA 75 -20.940 9.637 -8.851 409 H TYR 76 H TYR 76 -20.206 7.602 -11.507 410 HA TYR 76 HA TYR 76 -17.397 7.207 -10.823 411 1HB TYR 76 2HB TYR 76 -18.531 5.518 -13.021 412 2HB TYR 76 3HB TYR 76 -17.070 5.275 -12.071 413 HD1 TYR 76 HD1 TYR 76 -20.737 4.938 -12.080 414 HD2 TYR 76 HD2 TYR 76 -17.132 4.106 -9.978 415 HE1 TYR 76 HE1 TYR 76 -21.956 3.380 -10.618 416 HE2 TYR 76 HE2 TYR 76 -18.341 2.545 -8.511 417 HH TYR 76 HH TYR 76 -20.446 1.151 -8.642 418 H ILE 77 H ILE 77 -16.145 8.513 -11.983 419 HA ILE 77 HA ILE 77 -17.279 9.722 -14.415 420 HB ILE 77 HB ILE 77 -15.012 10.815 -12.752 421 1HG1 ILE 77 2HG1 ILE 77 -17.952 11.528 -12.679 422 2HG1 ILE 77 3HG1 ILE 77 -17.050 10.727 -11.397 423 1HG2 ILE 77 1HG2 ILE 77 -14.904 12.519 -14.204 424 2HG2 ILE 77 2HG2 ILE 77 -15.740 11.425 -15.304 425 3HG2 ILE 77 3HG2 ILE 77 -16.656 12.612 -14.376 426 1HD1 ILE 77 1HD1 ILE 77 -15.560 12.884 -11.556 427 2HD1 ILE 77 2HD1 ILE 77 -17.034 13.571 -12.239 428 3HD1 ILE 77 3HD1 ILE 77 -17.056 12.865 -10.623 429 H VAL 78 H VAL 78 -16.524 8.831 -16.215 430 HA VAL 78 HA VAL 78 -13.919 7.551 -16.268 431 HB VAL 78 HB VAL 78 -15.849 7.856 -18.566 432 1HG1 VAL 78 1HG1 VAL 78 -14.296 5.431 -18.471 433 2HG1 VAL 78 2HG1 VAL 78 -14.397 6.651 -19.743 434 3HG1 VAL 78 3HG1 VAL 78 -13.249 6.849 -18.418 435 1HG2 VAL 78 1HG2 VAL 78 -15.697 5.620 -16.546 436 2HG2 VAL 78 2HG2 VAL 78 -16.987 6.817 -16.659 437 3HG2 VAL 78 3HG2 VAL 78 -16.736 5.666 -17.971 438 H PHE 79 H PHE 79 -12.114 8.483 -16.963 439 HA PHE 79 HA PHE 79 -12.332 11.016 -18.442 440 1HB PHE 79 2HB PHE 79 -10.246 9.955 -16.548 441 2HB PHE 79 3HB PHE 79 -9.901 11.291 -17.642 442 HD1 PHE 79 HD1 PHE 79 -11.697 10.231 -14.658 443 HD2 PHE 79 HD2 PHE 79 -10.994 13.446 -17.357 444 HE1 PHE 79 HE1 PHE 79 -12.680 11.801 -13.039 445 HE2 PHE 79 HE2 PHE 79 -11.975 15.021 -15.742 446 HZ PHE 79 HZ PHE 79 -12.819 14.200 -13.579 447 H ALA 80 H ALA 80 -10.112 11.394 -19.693 448 HA ALA 80 HA ALA 80 -10.132 9.616 -21.871 449 1HB ALA 80 1HB ALA 80 -8.427 10.943 -22.809 450 2HB ALA 80 2HB ALA 80 -9.413 12.049 -21.851 451 3HB ALA 80 3HB ALA 80 -7.865 11.481 -21.226 452 H THR 81 H THR 81 -7.951 9.925 -19.105 453 HA THR 81 HA THR 81 -7.179 7.184 -19.273 454 HB THR 81 HB THR 81 -4.663 8.565 -19.397 455 HG1 THR 81 HG1 THR 81 -5.626 10.079 -20.736 456 1HG2 THR 81 1HG2 THR 81 -5.610 6.766 -21.570 457 2HG2 THR 81 2HG2 THR 81 -5.497 6.107 -19.938 458 3HG2 THR 81 3HG2 THR 81 -4.068 6.790 -20.714 459 H GLN 82 H GLN 82 -5.479 6.656 -17.610 460 HA GLN 82 HA GLN 82 -6.208 7.558 -15.107 461 1HB GLN 82 2HB GLN 82 -4.617 5.576 -15.985 462 2HB GLN 82 3HB GLN 82 -3.386 6.701 -15.426 463 1HG GLN 82 2HG GLN 82 -5.356 6.572 -13.415 464 2HG GLN 82 3HG GLN 82 -5.011 4.917 -13.915 465 1HE2 GLN 82 1HE2 GLN 82 -4.405 6.154 -11.397 466 2HE2 GLN 82 2HE2 GLN 82 -2.689 6.094 -11.206 467 H GLU 83 H GLU 83 -3.893 8.900 -17.342 468 HA GLU 83 HA GLU 83 -2.387 10.504 -15.640 469 1HB GLU 83 2HB GLU 83 -3.034 10.479 -18.513 470 2HB GLU 83 3HB GLU 83 -2.569 12.051 -17.878 471 1HG GLU 83 2HG GLU 83 -0.938 9.560 -17.479 472 2HG GLU 83 3HG GLU 83 -0.708 10.672 -18.828 473 H SER 84 H SER 84 -5.353 11.357 -17.421 474 HA SER 84 HA SER 84 -5.578 13.919 -16.181 475 1HB SER 84 2HB SER 84 -7.080 12.347 -18.157 476 2HB SER 84 3HB SER 84 -8.093 13.374 -17.143 477 HG SER 84 HG SER 84 -6.129 14.074 -18.999 478 H ALA 85 H ALA 85 -7.203 10.799 -15.728 479 HA ALA 85 HA ALA 85 -9.088 11.515 -13.837 480 1HB ALA 85 1HB ALA 85 -9.520 9.336 -13.856 481 2HB ALA 85 2HB ALA 85 -8.133 9.133 -14.927 482 3HB ALA 85 3HB ALA 85 -7.935 8.955 -13.183 483 H GLN 86 H GLN 86 -5.806 10.262 -13.202 484 HA GLN 86 HA GLN 86 -5.831 10.458 -10.443 485 1HB GLN 86 2HB GLN 86 -4.027 9.327 -11.535 486 2HB GLN 86 3HB GLN 86 -3.561 10.783 -12.404 487 1HG GLN 86 2HG GLN 86 -3.523 11.237 -9.563 488 2HG GLN 86 3HG GLN 86 -2.533 9.843 -9.993 489 1HE2 GLN 86 1HE2 GLN 86 -2.987 13.269 -10.379 490 2HE2 GLN 86 2HE2 GLN 86 -1.423 13.607 -11.029 491 H ALA 87 H ALA 87 -5.031 12.930 -12.842 492 HA ALA 87 HA ALA 87 -4.137 14.922 -11.096 493 1HB ALA 87 1HB ALA 87 -3.683 15.450 -13.272 494 2HB ALA 87 2HB ALA 87 -5.256 14.901 -13.851 495 3HB ALA 87 3HB ALA 87 -5.115 16.445 -13.011 496 H PHE 88 H PHE 88 -7.402 14.326 -12.380 497 HA PHE 88 HA PHE 88 -8.635 16.458 -10.992 498 1HB PHE 88 2HB PHE 88 -9.769 15.559 -12.888 499 2HB PHE 88 3HB PHE 88 -9.731 13.930 -12.222 500 HD1 PHE 88 HD1 PHE 88 -11.403 17.164 -12.171 501 HD2 PHE 88 HD2 PHE 88 -11.260 13.275 -10.446 502 HE1 PHE 88 HE1 PHE 88 -13.628 17.524 -11.183 503 HE2 PHE 88 HE2 PHE 88 -13.484 13.629 -9.456 504 HZ PHE 88 HZ PHE 88 -14.672 15.755 -9.824 505 H VAL 89 H VAL 89 -8.030 13.093 -10.182 506 HA VAL 89 HA VAL 89 -9.679 12.914 -7.912 507 HB VAL 89 HB VAL 89 -7.103 11.454 -8.513 508 1HG1 VAL 89 1HG1 VAL 89 -8.830 11.438 -6.186 509 2HG1 VAL 89 2HG1 VAL 89 -8.700 9.841 -6.925 510 3HG1 VAL 89 3HG1 VAL 89 -7.245 10.701 -6.421 511 1HG2 VAL 89 1HG2 VAL 89 -9.718 10.112 -8.735 512 2HG2 VAL 89 2HG2 VAL 89 -9.380 11.344 -9.951 513 3HG2 VAL 89 3HG2 VAL 89 -8.282 9.978 -9.751 514 H GLU 90 H GLU 90 -6.260 13.812 -8.252 515 HA GLU 90 HA GLU 90 -5.982 14.333 -5.429 516 1HB GLU 90 2HB GLU 90 -4.081 15.072 -7.656 517 2HB GLU 90 3HB GLU 90 -3.711 14.956 -5.942 518 1HG GLU 90 2HG GLU 90 -4.635 12.610 -7.572 519 2HG GLU 90 3HG GLU 90 -2.937 13.045 -7.386 520 H ALA 91 H ALA 91 -6.913 16.093 -8.230 521 HA ALA 91 HA ALA 91 -6.267 18.703 -7.245 522 1HB ALA 91 1HB ALA 91 -6.394 18.681 -9.543 523 2HB ALA 91 2HB ALA 91 -7.819 17.641 -9.562 524 3HB ALA 91 3HB ALA 91 -7.973 19.340 -9.114 525 H PHE 92 H PHE 92 -8.883 16.497 -6.818 526 HA PHE 92 HA PHE 92 -10.359 18.568 -5.332 527 1HB PHE 92 2HB PHE 92 -11.437 16.374 -7.100 528 2HB PHE 92 3HB PHE 92 -12.436 17.211 -5.917 529 HD1 PHE 92 HD1 PHE 92 -13.663 19.007 -6.639 530 HD2 PHE 92 HD2 PHE 92 -10.072 18.005 -8.693 531 HE1 PHE 92 HE1 PHE 92 -14.105 20.791 -8.274 532 HE2 PHE 92 HE2 PHE 92 -10.508 19.788 -10.331 533 HZ PHE 92 HZ PHE 92 -12.525 21.185 -10.122 534 H GLN 93 H GLN 93 -8.473 16.012 -4.927 535 HA GLN 93 HA GLN 93 -9.740 14.117 -3.403 536 1HB GLN 93 2HB GLN 93 -7.461 13.764 -3.890 537 2HB GLN 93 3HB GLN 93 -6.985 15.306 -3.191 538 1HG GLN 93 2HG GLN 93 -7.482 14.479 -0.967 539 2HG GLN 93 3HG GLN 93 -8.033 12.947 -1.643 540 1HE2 GLN 93 1HE2 GLN 93 -5.383 14.747 -0.538 541 2HE2 GLN 93 2HE2 GLN 93 -4.141 13.611 -0.926 542 HN2 GLY 94 H GLY 94 -8.842 17.382 -2.495 543 1HA GLY 94 2HA GLY 94 -10.302 16.988 0.037 544 2HA GLY 94 3HA GLY 94 -8.753 17.819 0.020 545 H TYR 95 H TYR 95 -11.853 17.959 -1.742 546 HA TYR 95 HA TYR 95 -11.876 20.861 -1.270 547 1HB TYR 95 2HB TYR 95 -11.132 20.552 -3.557 548 2HB TYR 95 3HB TYR 95 -12.474 19.461 -3.884 549 HD1 TYR 95 HD1 TYR 95 -14.793 20.359 -3.988 550 HD2 TYR 95 HD2 TYR 95 -11.406 22.914 -3.668 551 HE1 TYR 95 HE1 TYR 95 -16.166 22.262 -4.724 552 HE2 TYR 95 HE2 TYR 95 -12.770 24.824 -4.401 553 HH TYR 95 HH TYR 95 -16.244 24.478 -5.004 554 HA PRO 96 HA PRO 96 -15.958 20.044 0.197 555 1HB PRO 96 2HB PRO 96 -16.866 22.602 0.219 556 2HB PRO 96 3HB PRO 96 -15.730 21.976 1.419 557 1HG PRO 96 2HG PRO 96 -15.189 23.614 -1.027 558 2HG PRO 96 3HG PRO 96 -14.505 23.775 0.601 559 1HD PRO 96 2HD PRO 96 -13.172 22.574 -1.427 560 2HD PRO 96 3HD PRO 96 -12.985 22.075 0.267 561 H PHE 97 H PHE 97 -17.088 18.953 -1.355 562 HA PHE 97 HA PHE 97 -18.472 20.604 -3.358 563 1HB PHE 97 2HB PHE 97 -16.766 19.388 -4.557 564 2HB PHE 97 3HB PHE 97 -17.233 17.879 -3.781 565 HD1 PHE 97 HD1 PHE 97 -18.930 20.596 -5.703 566 HD2 PHE 97 HD2 PHE 97 -18.366 16.417 -5.123 567 HE1 PHE 97 HE1 PHE 97 -20.485 20.132 -7.553 568 HE2 PHE 97 HE2 PHE 97 -19.919 15.947 -6.972 569 HZ PHE 97 HZ PHE 97 -20.980 17.806 -8.191 570 H GLN 98 H GLN 98 -20.593 20.037 -3.820 571 HA GLN 98 HA GLN 98 -22.690 19.298 -3.341 572 1HB GLN 98 2HB GLN 98 -21.032 17.008 -3.639 573 2HB GLN 98 3HB GLN 98 -22.157 16.682 -2.327 574 1HG GLN 98 2HG GLN 98 -23.840 17.730 -4.149 575 2HG GLN 98 3HG GLN 98 -22.644 16.986 -5.209 576 1HE2 GLN 98 1HE2 GLN 98 -23.422 15.126 -5.893 577 2HE2 GLN 98 2HE2 GLN 98 -24.192 13.926 -4.918 578 HN2 GLY 99 H GLY 99 -20.976 20.465 -1.185 579 1HA GLY 99 2HA GLY 99 -22.383 20.970 0.886 580 2HA GLY 99 3HA GLY 99 -22.272 19.239 1.164 581 H ASN 100 H ASN 100 -19.810 18.495 0.900 582 HA ASN 100 HA ASN 100 -17.729 20.183 1.636 583 1HB ASN 100 2HB ASN 100 -18.453 20.716 3.737 584 2HB ASN 100 3HB ASN 100 -19.425 19.254 3.889 585 1HD2 ASN 100 1HD2 ASN 100 -18.743 18.333 5.698 586 2HD2 ASN 100 2HD2 ASN 100 -17.101 17.948 6.071 587 HA PRO 101 HA PRO 101 -16.463 15.632 2.644 588 1HB PRO 101 2HB PRO 101 -18.427 13.757 2.623 589 2HB PRO 101 3HB PRO 101 -17.979 14.663 4.073 590 1HG PRO 101 2HG PRO 101 -20.253 15.120 2.180 591 2HG PRO 101 3HG PRO 101 -20.243 15.183 3.952 592 1HD PRO 101 2HD PRO 101 -20.149 17.410 2.415 593 2HD PRO 101 3HD PRO 101 -19.350 17.307 3.997 594 H LEU 102 H LEU 102 -15.445 15.498 0.699 595 HA LEU 102 HA LEU 102 -16.934 14.203 -1.481 596 1HB LEU 102 2HB LEU 102 -16.753 16.448 -2.186 597 2HB LEU 102 3HB LEU 102 -15.082 16.564 -1.636 598 HG LEU 102 HG LEU 102 -14.480 14.933 -3.455 599 1HD1 LEU 102 1HD1 LEU 102 -16.376 15.214 -5.340 600 2HD1 LEU 102 2HD1 LEU 102 -17.385 15.151 -3.895 601 3HD1 LEU 102 3HD1 LEU 102 -16.275 13.829 -4.253 602 1HD2 LEU 102 1HD2 LEU 102 -13.816 16.832 -4.393 603 2HD2 LEU 102 2HD2 LEU 102 -15.121 17.727 -3.615 604 3HD2 LEU 102 3HD2 LEU 102 -15.393 16.949 -5.175 605 H VAL 103 H VAL 103 -16.020 12.377 -2.141 606 HA VAL 103 HA VAL 103 -13.141 11.987 -1.638 607 HB VAL 103 HB VAL 103 -14.608 10.597 -0.170 608 1HG1 VAL 103 1HG1 VAL 103 -16.142 10.259 -2.397 609 2HG1 VAL 103 2HG1 VAL 103 -15.274 8.724 -2.320 610 3HG1 VAL 103 3HG1 VAL 103 -16.236 9.265 -0.944 611 1HG2 VAL 103 1HG2 VAL 103 -13.014 9.028 -0.143 612 2HG2 VAL 103 2HG2 VAL 103 -13.349 8.532 -1.802 613 3HG2 VAL 103 3HG2 VAL 103 -12.299 9.915 -1.490 614 H ILE 104 H ILE 104 -11.910 11.264 -3.288 615 HA ILE 104 HA ILE 104 -13.242 10.293 -5.717 616 HB ILE 104 HB ILE 104 -11.257 11.662 -6.872 617 1HG1 ILE 104 2HG1 ILE 104 -10.766 12.549 -4.448 618 2HG1 ILE 104 3HG1 ILE 104 -10.663 13.639 -5.826 619 1HG2 ILE 104 1HG2 ILE 104 -14.027 12.554 -6.143 620 2HG2 ILE 104 2HG2 ILE 104 -12.982 13.529 -7.177 621 3HG2 ILE 104 3HG2 ILE 104 -13.442 11.900 -7.672 622 1HD1 ILE 104 1HD1 ILE 104 -11.937 14.311 -3.634 623 2HD1 ILE 104 2HD1 ILE 104 -12.532 14.794 -5.223 624 3HD1 ILE 104 3HD1 ILE 104 -13.253 13.415 -4.393 625 H THR 105 H THR 105 -12.367 8.465 -6.415 626 HA THR 105 HA THR 105 -9.506 7.991 -6.088 627 HB THR 105 HB THR 105 -10.143 5.570 -5.368 628 HG1 THR 105 HG1 THR 105 -12.062 5.552 -4.085 629 1HG2 THR 105 1HG2 THR 105 -8.951 7.384 -4.028 630 2HG2 THR 105 2HG2 THR 105 -9.767 6.122 -3.105 631 3HG2 THR 105 3HG2 THR 105 -10.516 7.709 -3.284 632 H PHE 106 H PHE 106 -8.849 5.927 -7.233 633 HA PHE 106 HA PHE 106 -9.973 5.974 -9.876 634 1HB PHE 106 2HB PHE 106 -7.844 4.138 -8.760 635 2HB PHE 106 3HB PHE 106 -8.185 4.438 -10.461 636 HD1 PHE 106 HD1 PHE 106 -6.530 5.640 -7.474 637 HD2 PHE 106 HD2 PHE 106 -7.635 6.620 -11.466 638 HE1 PHE 106 HE1 PHE 106 -4.908 7.490 -7.465 639 HE2 PHE 106 HE2 PHE 106 -6.015 8.471 -11.463 640 HZ PHE 106 HZ PHE 106 -4.648 8.908 -9.462 641 H SER 107 H SER 107 -9.819 3.427 -10.794 642 HA SER 107 HA SER 107 -11.409 1.687 -9.104 643 1HB SER 107 2HB SER 107 -12.725 3.418 -10.855 644 2HB SER 107 3HB SER 107 -12.694 1.872 -11.704 645 HG SER 107 HG SER 107 -14.312 2.586 -9.772 646 H GLU 108 H GLU 108 -12.206 -0.203 -10.833 647 HA GLU 108 HA GLU 108 -9.675 -1.113 -12.026 648 1HB GLU 108 2HB GLU 108 -10.450 -3.379 -11.684 649 2HB GLU 108 3HB GLU 108 -10.564 -2.491 -10.171 650 1HG GLU 108 2HG GLU 108 -13.031 -2.068 -11.052 651 2HG GLU 108 3HG GLU 108 -12.703 -3.577 -11.903 652 H THR 109 H THR 109 -9.561 -1.590 -14.139 653 HA THR 109 HA THR 109 -12.069 -1.677 -15.681 654 HB THR 109 HB THR 109 -10.747 -0.575 -17.561 655 HG1 THR 109 HG1 THR 109 -9.023 -0.085 -15.352 656 1HG2 THR 109 1HG2 THR 109 -11.284 1.069 -15.083 657 2HG2 THR 109 2HG2 THR 109 -12.493 0.588 -16.274 658 3HG2 THR 109 3HG2 THR 109 -11.185 1.677 -16.735 659 HA PRO 110 HA PRO 110 -9.445 -5.429 -16.512 660 1HB PRO 110 2HB PRO 110 -11.482 -7.206 -16.257 661 2HB PRO 110 3HB PRO 110 -10.517 -6.647 -14.885 662 1HG PRO 110 2HG PRO 110 -13.218 -5.735 -15.797 663 2HG PRO 110 3HG PRO 110 -12.643 -6.059 -14.151 664 1HD PRO 110 2HD PRO 110 -12.830 -3.554 -15.162 665 2HD PRO 110 3HD PRO 110 -11.586 -4.017 -13.983 666 H GLN 111 H GLN 111 -10.071 -7.265 -18.117 667 HA GLN 111 HA GLN 111 -11.788 -6.240 -20.263 668 1HB GLN 111 2HB GLN 111 -10.084 -6.862 -21.940 669 2HB GLN 111 3HB GLN 111 -9.538 -5.575 -20.873 670 1HG GLN 111 2HG GLN 111 -8.495 -7.551 -19.516 671 2HG GLN 111 3HG GLN 111 -8.629 -8.403 -21.053 672 1HE2 GLN 111 1HE2 GLN 111 -6.200 -7.870 -19.805 673 2HE2 GLN 111 2HE2 GLN 111 -5.305 -6.763 -20.783 674 H SER 112 H SER 112 -12.423 -8.239 -18.413 675 HA SER 112 HA SER 112 -12.018 -10.782 -19.783 676 1HB SER 112 2HB SER 112 -13.568 -10.290 -17.235 677 2HB SER 112 3HB SER 112 -12.925 -11.823 -17.824 678 HG SER 112 HG SER 112 -11.608 -10.885 -16.195 679 H GLN 113 H GLN 113 -14.443 -8.353 -19.301 680 HA GLN 113 HA GLN 113 -16.791 -9.726 -19.761 681 1HB GLN 113 2HB GLN 113 -17.658 -7.593 -20.709 682 2HB GLN 113 3HB GLN 113 -16.825 -7.392 -19.173 683 1HG GLN 113 2HG GLN 113 -14.772 -6.789 -20.546 684 2HG GLN 113 3HG GLN 113 -15.870 -6.664 -21.920 685 1HE2 GLN 113 1HE2 GLN 113 -14.776 -4.437 -21.655 686 2HE2 GLN 113 2HE2 GLN 113 -15.679 -3.276 -20.749 687 H VAL 114 H VAL 114 -14.482 -8.462 -22.131 688 HA VAL 114 HA VAL 114 -15.943 -9.099 -24.443 689 HB VAL 114 HB VAL 114 -13.842 -8.924 -25.658 690 1HG1 VAL 114 1HG1 VAL 114 -14.994 -6.943 -24.082 691 2HG1 VAL 114 2HG1 VAL 114 -13.257 -6.776 -23.818 692 3HG1 VAL 114 3HG1 VAL 114 -13.912 -6.710 -25.454 693 1HG2 VAL 114 1HG2 VAL 114 -12.195 -10.021 -24.498 694 2HG2 VAL 114 2HG2 VAL 114 -11.795 -8.348 -24.112 695 3HG2 VAL 114 3HG2 VAL 114 -12.677 -9.335 -22.947 696 H ALA 115 H ALA 115 -15.673 -10.821 -25.942 697 HA ALA 115 HA ALA 115 -15.576 -13.388 -24.739 698 1HB ALA 115 1HB ALA 115 -16.974 -13.403 -26.543 699 2HB ALA 115 2HB ALA 115 -15.932 -12.352 -27.502 700 3HB ALA 115 3HB ALA 115 -15.516 -14.053 -27.293 701 H GLU 116 H GLU 116 -13.262 -11.463 -26.540 702 HA GLU 116 HA GLU 116 -11.395 -13.379 -27.242 703 1HB GLU 116 2HB GLU 116 -11.497 -10.732 -27.545 704 2HB GLU 116 3HB GLU 116 -10.385 -10.787 -26.184 705 1HG GLU 116 2HG GLU 116 -8.922 -10.821 -27.933 706 2HG GLU 116 3HG GLU 116 -9.137 -12.548 -27.655 707 H ASP 117 H ASP 117 -12.088 -11.997 -24.119 708 HA ASP 117 HA ASP 117 -11.286 -12.403 -22.028 709 1HB ASP 117 2HB ASP 117 -12.028 -14.715 -22.763 710 2HB ASP 117 3HB ASP 117 -10.339 -15.047 -23.137 Start of MODEL 10 1 H THR 22 H THR 22 4.887 -6.519 -2.861 2 HA THR 22 HA THR 22 2.545 -6.512 -4.484 3 HB THR 22 HB THR 22 1.903 -4.622 -2.758 4 HG1 THR 22 HG1 THR 22 3.411 -4.255 -1.331 5 1HG2 THR 22 1HG2 THR 22 0.665 -6.313 -2.006 6 2HG2 THR 22 2HG2 THR 22 2.057 -6.950 -1.130 7 3HG2 THR 22 3HG2 THR 22 1.750 -7.460 -2.790 8 HA PRO 23 HA PRO 23 4.652 -2.907 -6.577 9 1HB PRO 23 2HB PRO 23 4.174 -3.768 -9.106 10 2HB PRO 23 3HB PRO 23 5.604 -4.245 -8.183 11 1HG PRO 23 2HG PRO 23 3.053 -5.745 -8.633 12 2HG PRO 23 3HG PRO 23 4.723 -6.340 -8.676 13 1HD PRO 23 2HD PRO 23 3.103 -6.701 -6.537 14 2HD PRO 23 3HD PRO 23 4.860 -6.497 -6.381 15 HA PRO 24 HA PRO 24 0.423 -1.335 -6.792 16 1HB PRO 24 2HB PRO 24 1.151 1.277 -6.658 17 2HB PRO 24 3HB PRO 24 1.048 0.234 -5.234 18 1HG PRO 24 2HG PRO 24 3.455 1.042 -6.820 19 2HG PRO 24 3HG PRO 24 3.257 0.940 -5.061 20 1HD PRO 24 2HD PRO 24 4.497 -0.989 -6.501 21 2HD PRO 24 3HD PRO 24 3.566 -1.344 -5.032 22 H HIS 25 H HIS 25 -0.747 -0.058 -8.321 23 HA HIS 25 HA HIS 25 -1.310 0.496 -10.459 24 1HB HIS 25 2HB HIS 25 1.448 1.724 -10.306 25 2HB HIS 25 3HB HIS 25 0.307 2.030 -11.612 26 HD1 HIS 25 HD1 HIS 25 -0.560 4.317 -11.268 27 HD2 HIS 25 HD2 HIS 25 -0.307 2.208 -7.697 28 HE1 HIS 25 HE1 HIS 25 -1.530 5.840 -9.518 29 H THR 26 H THR 26 -1.345 -1.725 -11.123 30 HA THR 26 HA THR 26 0.981 -2.584 -12.702 31 HB THR 26 HB THR 26 -0.584 -4.771 -12.727 32 HG1 THR 26 HG1 THR 26 -1.865 -4.889 -10.994 33 1HG2 THR 26 1HG2 THR 26 1.814 -4.247 -11.771 34 2HG2 THR 26 2HG2 THR 26 0.948 -5.706 -11.288 35 3HG2 THR 26 3HG2 THR 26 0.969 -4.300 -10.224 36 H GLU 27 H GLU 27 -2.366 -1.686 -12.905 37 HA GLU 27 HA GLU 27 -2.240 -2.041 -15.822 38 1HB GLU 27 2HB GLU 27 -4.784 -2.449 -15.635 39 2HB GLU 27 3HB GLU 27 -3.692 -3.770 -15.246 40 1HG GLU 27 2HG GLU 27 -4.455 -2.050 -12.987 41 2HG GLU 27 3HG GLU 27 -5.755 -3.005 -13.698 42 HA PRO 28 HA PRO 28 -3.547 2.132 -16.177 43 1HB PRO 28 2HB PRO 28 -5.111 2.040 -18.394 44 2HB PRO 28 3HB PRO 28 -3.351 1.887 -18.453 45 1HG PRO 28 2HG PRO 28 -5.442 -0.253 -18.535 46 2HG PRO 28 3HG PRO 28 -3.966 -0.094 -19.504 47 1HD PRO 28 2HD PRO 28 -4.134 -1.747 -17.365 48 2HD PRO 28 3HD PRO 28 -2.625 -0.934 -17.828 49 H SER 29 H SER 29 -5.361 3.580 -16.052 50 HA SER 29 HA SER 29 -7.997 2.475 -15.591 51 1HB SER 29 2HB SER 29 -6.587 3.970 -13.369 52 2HB SER 29 3HB SER 29 -8.233 3.340 -13.329 53 HG SER 29 HG SER 29 -7.312 1.233 -13.569 54 H GLN 30 H GLN 30 -8.849 3.756 -17.164 55 HA GLN 30 HA GLN 30 -8.362 6.635 -17.070 56 1HB GLN 30 2HB GLN 30 -10.034 5.169 -19.101 57 2HB GLN 30 3HB GLN 30 -9.277 6.749 -19.255 58 1HG GLN 30 2HG GLN 30 -7.059 5.598 -19.127 59 2HG GLN 30 3HG GLN 30 -7.924 4.065 -19.224 60 1HE2 GLN 30 1HE2 GLN 30 -6.393 4.013 -21.138 61 2HE2 GLN 30 2HE2 GLN 30 -7.023 4.591 -22.640 62 H VAL 31 H VAL 31 -10.073 5.049 -15.145 63 HA VAL 31 HA VAL 31 -12.400 6.823 -15.296 64 HB VAL 31 HB VAL 31 -13.957 5.066 -14.744 65 1HG1 VAL 31 1HG1 VAL 31 -14.219 4.315 -16.861 66 2HG1 VAL 31 2HG1 VAL 31 -12.912 5.455 -17.186 67 3HG1 VAL 31 3HG1 VAL 31 -12.556 3.740 -16.979 68 1HG2 VAL 31 1HG2 VAL 31 -12.552 2.684 -15.195 69 2HG2 VAL 31 2HG2 VAL 31 -11.562 3.623 -14.078 70 3HG2 VAL 31 3HG2 VAL 31 -13.238 3.254 -13.674 71 H VAL 32 H VAL 32 -13.294 7.386 -13.309 72 HA VAL 32 HA VAL 32 -11.820 6.456 -10.932 73 HB VAL 32 HB VAL 32 -11.863 8.652 -9.981 74 1HG1 VAL 32 1HG1 VAL 32 -10.008 8.203 -11.482 75 2HG1 VAL 32 2HG1 VAL 32 -10.953 8.787 -12.854 76 3HG1 VAL 32 3HG1 VAL 32 -10.472 9.902 -11.574 77 1HG2 VAL 32 1HG2 VAL 32 -12.708 10.449 -11.856 78 2HG2 VAL 32 2HG2 VAL 32 -13.861 9.132 -12.065 79 3HG2 VAL 32 3HG2 VAL 32 -13.665 9.889 -10.485 80 H LEU 33 H LEU 33 -13.002 5.991 -9.141 81 HA LEU 33 HA LEU 33 -15.922 6.164 -9.425 82 1HB LEU 33 2HB LEU 33 -15.493 3.938 -9.116 83 2HB LEU 33 3HB LEU 33 -14.078 4.240 -8.110 84 HG LEU 33 HG LEU 33 -15.496 4.755 -6.214 85 1HD1 LEU 33 1HD1 LEU 33 -17.580 5.454 -6.477 86 2HD1 LEU 33 2HD1 LEU 33 -18.034 3.881 -7.131 87 3HD1 LEU 33 3HD1 LEU 33 -17.470 5.156 -8.212 88 1HD2 LEU 33 1HD2 LEU 33 -16.023 2.182 -7.665 89 2HD2 LEU 33 2HD2 LEU 33 -16.704 2.500 -6.070 90 3HD2 LEU 33 3HD2 LEU 33 -14.954 2.483 -6.295 91 H ILE 34 H ILE 34 -16.968 7.601 -8.232 92 HA ILE 34 HA ILE 34 -15.654 8.646 -5.814 93 HB ILE 34 HB ILE 34 -17.075 10.638 -6.068 94 1HG1 ILE 34 2HG1 ILE 34 -18.680 9.065 -7.613 95 2HG1 ILE 34 3HG1 ILE 34 -18.754 10.823 -7.571 96 1HG2 ILE 34 1HG2 ILE 34 -14.885 10.762 -6.999 97 2HG2 ILE 34 2HG2 ILE 34 -15.385 9.881 -8.441 98 3HG2 ILE 34 3HG2 ILE 34 -15.991 11.511 -8.151 99 1HD1 ILE 34 1HD1 ILE 34 -17.455 11.002 -9.548 100 2HD1 ILE 34 2HD1 ILE 34 -17.072 9.280 -9.523 101 3HD1 ILE 34 3HD1 ILE 34 -18.721 9.813 -9.850 102 H THR 35 H THR 35 -16.843 8.919 -3.915 103 HA THR 35 HA THR 35 -19.560 7.840 -3.835 104 HB THR 35 HB THR 35 -19.105 6.366 -1.977 105 HG1 THR 35 HG1 THR 35 -17.381 6.721 -0.816 106 1HG2 THR 35 1HG2 THR 35 -18.053 4.629 -3.125 107 2HG2 THR 35 2HG2 THR 35 -16.939 5.720 -3.950 108 3HG2 THR 35 3HG2 THR 35 -18.637 5.670 -4.423 109 H ASN 36 H ASN 36 -20.128 7.879 -1.237 110 HA ASN 36 HA ASN 36 -20.645 9.202 0.540 111 1HB ASN 36 2HB ASN 36 -17.914 9.559 0.172 112 2HB ASN 36 3HB ASN 36 -18.545 11.202 0.249 113 1HD2 ASN 36 1HD2 ASN 36 -20.291 11.408 2.055 114 2HD2 ASN 36 2HD2 ASN 36 -19.809 10.781 3.592 115 H ILE 37 H ILE 37 -21.621 9.785 -2.143 116 HA ILE 37 HA ILE 37 -21.944 12.702 -2.049 117 HB ILE 37 HB ILE 37 -22.964 12.418 -4.325 118 1HG1 ILE 37 2HG1 ILE 37 -21.807 9.630 -4.152 119 2HG1 ILE 37 3HG1 ILE 37 -23.523 9.989 -3.987 120 1HG2 ILE 37 1HG2 ILE 37 -20.129 11.461 -3.951 121 2HG2 ILE 37 2HG2 ILE 37 -20.809 12.072 -5.458 122 3HG2 ILE 37 3HG2 ILE 37 -20.664 13.138 -4.061 123 1HD1 ILE 37 1HD1 ILE 37 -23.561 9.567 -6.183 124 2HD1 ILE 37 2HD1 ILE 37 -22.972 11.223 -6.325 125 3HD1 ILE 37 3HD1 ILE 37 -21.836 9.875 -6.379 126 H ASN 38 H ASN 38 -23.880 13.651 -1.692 127 HA ASN 38 HA ASN 38 -25.987 12.036 -0.595 128 1HB ASN 38 2HB ASN 38 -25.173 14.766 -0.447 129 2HB ASN 38 3HB ASN 38 -26.851 14.725 -0.982 130 1HD2 ASN 38 1HD2 ASN 38 -24.970 14.942 1.649 131 2HD2 ASN 38 2HD2 ASN 38 -26.029 14.277 2.842 132 HA PRO 39 HA PRO 39 -28.094 11.489 -4.471 133 1HB PRO 39 2HB PRO 39 -30.278 10.246 -3.442 134 2HB PRO 39 3HB PRO 39 -28.723 9.434 -3.657 135 1HG PRO 39 2HG PRO 39 -29.910 10.632 -1.183 136 2HG PRO 39 3HG PRO 39 -29.047 9.095 -1.379 137 1HD PRO 39 2HD PRO 39 -27.860 11.315 -0.383 138 2HD PRO 39 3HD PRO 39 -26.977 10.107 -1.338 139 H GLU 40 H GLU 40 -28.957 13.491 -1.898 140 HA GLU 40 HA GLU 40 -31.560 14.255 -2.373 141 1HB GLU 40 2HB GLU 40 -29.162 15.598 -1.261 142 2HB GLU 40 3HB GLU 40 -30.493 16.642 -1.738 143 1HG GLU 40 2HG GLU 40 -31.866 14.832 -0.342 144 2HG GLU 40 3HG GLU 40 -30.307 14.688 0.468 145 H VAL 41 H VAL 41 -28.704 14.950 -4.239 146 HA VAL 41 HA VAL 41 -30.100 16.904 -5.892 147 HB VAL 41 HB VAL 41 -27.790 17.402 -5.325 148 1HG1 VAL 41 1HG1 VAL 41 -27.135 14.819 -6.739 149 2HG1 VAL 41 2HG1 VAL 41 -25.951 16.010 -6.196 150 3HG1 VAL 41 3HG1 VAL 41 -26.946 15.153 -5.018 151 1HG2 VAL 41 1HG2 VAL 41 -28.537 18.263 -7.426 152 2HG2 VAL 41 2HG2 VAL 41 -26.883 17.688 -7.637 153 3HG2 VAL 41 3HG2 VAL 41 -28.235 16.721 -8.227 154 HA PRO 42 HA PRO 42 -31.361 13.858 -8.839 155 1HB PRO 42 2HB PRO 42 -32.013 15.562 -10.850 156 2HB PRO 42 3HB PRO 42 -33.021 15.339 -9.415 157 1HG PRO 42 2HG PRO 42 -31.053 17.510 -10.028 158 2HG PRO 42 3HG PRO 42 -32.669 17.635 -9.310 159 1HD PRO 42 2HD PRO 42 -30.406 17.713 -7.825 160 2HD PRO 42 3HD PRO 42 -31.924 17.023 -7.216 161 H LYS 43 H LYS 43 -30.398 12.713 -10.433 162 HA LYS 43 HA LYS 43 -27.755 12.983 -11.092 163 1HB LYS 43 2HB LYS 43 -28.798 10.921 -11.581 164 2HB LYS 43 3HB LYS 43 -30.031 11.686 -12.576 165 1HG LYS 43 2HG LYS 43 -28.343 12.220 -14.259 166 2HG LYS 43 3HG LYS 43 -27.107 11.451 -13.261 167 1HD LYS 43 2HD LYS 43 -29.535 10.091 -14.431 168 2HD LYS 43 3HD LYS 43 -27.883 9.956 -15.037 169 1HE LYS 43 2HE LYS 43 -27.585 8.235 -13.663 170 2HE LYS 43 3HE LYS 43 -27.744 9.350 -12.307 171 1HZ LYS 43 1HZ LYS 43 -29.623 7.404 -13.325 172 2HZ LYS 43 2HZ LYS 43 -30.306 8.904 -12.946 173 3HZ LYS 43 3HZ LYS 43 -29.459 8.039 -11.765 174 H GLU 44 H GLU 44 -30.522 14.495 -12.624 175 HA GLU 44 HA GLU 44 -29.458 15.362 -15.010 176 1HB GLU 44 2HB GLU 44 -31.818 15.688 -14.177 177 2HB GLU 44 3HB GLU 44 -31.225 17.052 -13.240 178 1HG GLU 44 2HG GLU 44 -30.387 18.018 -15.417 179 2HG GLU 44 3HG GLU 44 -31.320 16.760 -16.225 180 H LYS 45 H LYS 45 -29.410 17.153 -11.926 181 HA LYS 45 HA LYS 45 -27.500 19.051 -12.984 182 1HB LYS 45 2HB LYS 45 -28.747 18.742 -10.249 183 2HB LYS 45 3HB LYS 45 -27.627 20.029 -10.678 184 1HG LYS 45 2HG LYS 45 -29.161 20.925 -12.275 185 2HG LYS 45 3HG LYS 45 -30.242 19.542 -12.085 186 1HD LYS 45 2HD LYS 45 -29.729 20.741 -9.528 187 2HD LYS 45 3HD LYS 45 -30.280 21.972 -10.667 188 1HE LYS 45 2HE LYS 45 -32.014 19.988 -11.231 189 2HE LYS 45 3HE LYS 45 -31.710 19.655 -9.527 190 1HZ LYS 45 1HZ LYS 45 -32.227 22.057 -9.121 191 2HZ LYS 45 2HZ LYS 45 -33.540 21.119 -9.627 192 3HZ LYS 45 3HZ LYS 45 -32.768 22.153 -10.721 193 H LEU 46 H LEU 46 -27.548 16.457 -10.576 194 HA LEU 46 HA LEU 46 -25.023 16.749 -9.494 195 1HB LEU 46 2HB LEU 46 -25.988 15.077 -8.372 196 2HB LEU 46 3HB LEU 46 -26.985 14.613 -9.750 197 HG LEU 46 HG LEU 46 -25.048 13.354 -10.661 198 1HD1 LEU 46 1HD1 LEU 46 -23.752 14.572 -8.319 199 2HD1 LEU 46 2HD1 LEU 46 -23.066 14.049 -9.856 200 3HD1 LEU 46 3HD1 LEU 46 -23.392 12.867 -8.589 201 1HD2 LEU 46 1HD2 LEU 46 -25.053 11.670 -8.630 202 2HD2 LEU 46 2HD2 LEU 46 -26.487 11.913 -9.628 203 3HD2 LEU 46 3HD2 LEU 46 -26.352 12.721 -8.065 204 H GLN 47 H GLN 47 -25.949 14.834 -12.349 205 HA GLN 47 HA GLN 47 -23.366 13.944 -12.991 206 1HB GLN 47 2HB GLN 47 -25.432 12.967 -13.923 207 2HB GLN 47 3HB GLN 47 -25.695 14.435 -14.855 208 1HG GLN 47 2HG GLN 47 -23.162 13.744 -15.592 209 2HG GLN 47 3HG GLN 47 -23.926 12.171 -15.369 210 1HE2 GLN 47 1HE2 GLN 47 -25.052 11.389 -17.003 211 2HE2 GLN 47 2HE2 GLN 47 -25.638 12.291 -18.354 212 H ALA 48 H ALA 48 -25.222 16.711 -14.241 213 HA ALA 48 HA ALA 48 -23.351 17.682 -16.047 214 1HB ALA 48 1HB ALA 48 -25.700 18.472 -15.802 215 2HB ALA 48 2HB ALA 48 -25.197 19.376 -14.373 216 3HB ALA 48 3HB ALA 48 -24.516 19.771 -15.952 217 H LEU 49 H LEU 49 -23.736 18.472 -12.601 218 HA LEU 49 HA LEU 49 -21.706 20.373 -12.409 219 1HB LEU 49 2HB LEU 49 -23.467 19.092 -10.670 220 2HB LEU 49 3HB LEU 49 -21.862 18.717 -10.046 221 HG LEU 49 HG LEU 49 -22.669 20.655 -8.912 222 1HD1 LEU 49 1HD1 LEU 49 -20.938 22.142 -10.721 223 2HD1 LEU 49 2HD1 LEU 49 -20.285 20.568 -10.267 224 3HD1 LEU 49 3HD1 LEU 49 -20.721 21.735 -9.019 225 1HD2 LEU 49 1HD2 LEU 49 -22.855 22.623 -10.922 226 2HD2 LEU 49 2HD2 LEU 49 -24.136 22.009 -9.877 227 3HD2 LEU 49 3HD2 LEU 49 -23.841 21.258 -11.446 228 H LEU 50 H LEU 50 -21.565 16.863 -11.847 229 HA LEU 50 HA LEU 50 -18.906 16.647 -11.109 230 1HB LEU 50 2HB LEU 50 -20.686 14.774 -12.646 231 2HB LEU 50 3HB LEU 50 -19.054 14.337 -12.145 232 HG LEU 50 HG LEU 50 -21.375 14.994 -10.334 233 1HD1 LEU 50 1HD1 LEU 50 -21.232 12.738 -11.565 234 2HD1 LEU 50 2HD1 LEU 50 -21.485 12.732 -9.820 235 3HD1 LEU 50 3HD1 LEU 50 -19.883 12.402 -10.479 236 1HD2 LEU 50 1HD2 LEU 50 -18.491 14.374 -9.731 237 2HD2 LEU 50 2HD2 LEU 50 -19.784 14.261 -8.537 238 3HD2 LEU 50 3HD2 LEU 50 -19.405 15.814 -9.283 239 H TYR 51 H TYR 51 -20.321 16.928 -14.316 240 HA TYR 51 HA TYR 51 -17.893 16.405 -15.727 241 1HB TYR 51 2HB TYR 51 -20.302 16.200 -16.601 242 2HB TYR 51 3HB TYR 51 -20.237 17.944 -16.828 243 HD1 TYR 51 HD1 TYR 51 -19.811 14.900 -18.435 244 HD2 TYR 51 HD2 TYR 51 -17.994 18.733 -18.103 245 HE1 TYR 51 HE1 TYR 51 -18.727 14.569 -20.618 246 HE2 TYR 51 HE2 TYR 51 -16.906 18.413 -20.286 247 HH TYR 51 HH TYR 51 -16.193 16.395 -21.708 248 H ALA 52 H ALA 52 -19.652 19.346 -14.817 249 HA ALA 52 HA ALA 52 -18.052 21.224 -16.101 250 1HB ALA 52 1HB ALA 52 -19.591 22.551 -15.218 251 2HB ALA 52 2HB ALA 52 -20.138 21.246 -14.165 252 3HB ALA 52 3HB ALA 52 -18.858 22.335 -13.628 253 H LEU 53 H LEU 53 -17.790 20.029 -12.752 254 HA LEU 53 HA LEU 53 -15.398 21.450 -12.192 255 1HB LEU 53 2HB LEU 53 -15.248 19.863 -10.246 256 2HB LEU 53 3HB LEU 53 -16.725 20.819 -10.352 257 HG LEU 53 HG LEU 53 -17.419 18.502 -11.651 258 1HD1 LEU 53 1HD1 LEU 53 -15.117 17.914 -10.077 259 2HD1 LEU 53 2HD1 LEU 53 -16.109 16.823 -11.043 260 3HD1 LEU 53 3HD1 LEU 53 -16.522 17.128 -9.356 261 1HD2 LEU 53 1HD2 LEU 53 -18.967 18.297 -9.981 262 2HD2 LEU 53 2HD2 LEU 53 -18.459 19.967 -9.725 263 3HD2 LEU 53 3HD2 LEU 53 -17.809 18.681 -8.707 264 H ALA 54 H ALA 54 -16.090 18.342 -13.603 265 HA ALA 54 HA ALA 54 -13.517 17.194 -13.283 266 1HB ALA 54 1HB ALA 54 -14.279 15.684 -15.161 267 2HB ALA 54 2HB ALA 54 -15.307 15.717 -13.728 268 3HB ALA 54 3HB ALA 54 -15.781 16.609 -15.173 269 H SER 55 H SER 55 -15.072 18.778 -16.073 270 HA SER 55 HA SER 55 -12.976 18.637 -17.867 271 1HB SER 55 2HB SER 55 -15.175 19.423 -18.538 272 2HB SER 55 3HB SER 55 -15.011 20.851 -17.517 273 HG SER 55 HG SER 55 -14.040 21.770 -19.122 274 H SER 56 H SER 56 -13.390 20.733 -15.116 275 HA SER 56 HA SER 56 -11.583 22.761 -15.726 276 1HB SER 56 2HB SER 56 -13.182 22.249 -13.611 277 2HB SER 56 3HB SER 56 -11.619 21.818 -12.915 278 HG SER 56 HG SER 56 -11.828 23.964 -12.553 279 H GLN 57 H GLN 57 -11.033 19.461 -14.884 280 HA GLN 57 HA GLN 57 -8.160 19.985 -14.531 281 1HB GLN 57 2HB GLN 57 -9.815 17.575 -13.764 282 2HB GLN 57 3HB GLN 57 -8.072 17.692 -13.566 283 1HG GLN 57 2HG GLN 57 -10.001 19.611 -12.294 284 2HG GLN 57 3HG GLN 57 -9.445 18.132 -11.512 285 1HE2 GLN 57 1HE2 GLN 57 -9.028 21.250 -11.346 286 2HE2 GLN 57 2HE2 GLN 57 -7.339 21.365 -11.000 287 HN2 GLY 58 H GLY 58 -10.043 17.202 -15.725 288 1HA GLY 58 2HA GLY 58 -8.341 17.231 -18.140 289 2HA GLY 58 3HA GLY 58 -8.702 15.742 -17.281 290 H ASP 59 H ASP 59 -9.290 15.641 -19.830 291 HA ASP 59 HA ASP 59 -11.937 16.587 -20.431 292 1HB ASP 59 2HB ASP 59 -10.008 14.767 -21.866 293 2HB ASP 59 3HB ASP 59 -11.631 15.082 -22.475 294 H ILE 60 H ILE 60 -13.832 15.444 -20.491 295 HA ILE 60 HA ILE 60 -13.798 12.867 -19.081 296 HB ILE 60 HB ILE 60 -16.138 14.719 -19.545 297 1HG1 ILE 60 2HG1 ILE 60 -15.731 14.797 -16.884 298 2HG1 ILE 60 3HG1 ILE 60 -14.070 14.567 -17.421 299 1HG2 ILE 60 1HG2 ILE 60 -17.416 13.052 -18.834 300 2HG2 ILE 60 2HG2 ILE 60 -16.001 12.006 -18.742 301 3HG2 ILE 60 3HG2 ILE 60 -16.483 12.961 -17.340 302 1HD1 ILE 60 1HD1 ILE 60 -13.914 16.712 -17.916 303 2HD1 ILE 60 2HD1 ILE 60 -15.288 16.588 -19.016 304 3HD1 ILE 60 3HD1 ILE 60 -15.553 16.952 -17.311 305 H LEU 61 H LEU 61 -14.534 11.040 -20.009 306 HA LEU 61 HA LEU 61 -15.360 11.207 -22.817 307 1HB LEU 61 2HB LEU 61 -14.684 8.667 -21.387 308 2HB LEU 61 3HB LEU 61 -14.575 9.036 -23.107 309 HG LEU 61 HG LEU 61 -12.715 9.955 -20.920 310 1HD1 LEU 61 1HD1 LEU 61 -12.074 8.367 -23.387 311 2HD1 LEU 61 2HD1 LEU 61 -12.549 7.604 -21.870 312 3HD1 LEU 61 3HD1 LEU 61 -11.094 8.597 -21.939 313 1HD2 LEU 61 1HD2 LEU 61 -12.566 11.801 -22.224 314 2HD2 LEU 61 2HD2 LEU 61 -13.182 10.977 -23.656 315 3HD2 LEU 61 3HD2 LEU 61 -11.502 10.755 -23.165 316 H ASP 62 H ASP 62 -16.455 10.241 -19.666 317 HA ASP 62 HA ASP 62 -19.160 10.254 -20.349 318 1HB ASP 62 2HB ASP 62 -17.872 7.853 -21.132 319 2HB ASP 62 3HB ASP 62 -18.870 7.469 -19.732 320 H ILE 63 H ILE 63 -20.184 10.681 -18.512 321 HA ILE 63 HA ILE 63 -18.928 9.848 -15.987 322 HB ILE 63 HB ILE 63 -20.949 12.049 -16.426 323 1HG1 ILE 63 2HG1 ILE 63 -17.952 12.184 -16.030 324 2HG1 ILE 63 3HG1 ILE 63 -18.825 12.592 -17.502 325 1HG2 ILE 63 1HG2 ILE 63 -20.495 12.696 -14.160 326 2HG2 ILE 63 2HG2 ILE 63 -20.941 10.991 -14.178 327 3HG2 ILE 63 3HG2 ILE 63 -19.249 11.457 -14.009 328 1HD1 ILE 63 1HD1 ILE 63 -18.663 14.083 -14.926 329 2HD1 ILE 63 2HD1 ILE 63 -18.410 14.655 -16.575 330 3HD1 ILE 63 3HD1 ILE 63 -20.042 14.314 -16.001 331 H VAL 64 H VAL 64 -19.820 8.086 -15.146 332 HA VAL 64 HA VAL 64 -22.635 7.490 -15.632 333 HB VAL 64 HB VAL 64 -20.502 5.835 -14.276 334 1HG1 VAL 64 1HG1 VAL 64 -22.134 3.981 -14.550 335 2HG1 VAL 64 2HG1 VAL 64 -22.663 5.228 -13.419 336 3HG1 VAL 64 3HG1 VAL 64 -23.339 5.170 -15.047 337 1HG2 VAL 64 1HG2 VAL 64 -20.811 4.446 -16.397 338 2HG2 VAL 64 2HG2 VAL 64 -21.597 5.872 -17.072 339 3HG2 VAL 64 3HG2 VAL 64 -19.917 5.958 -16.545 340 H VAL 65 H VAL 65 -24.169 7.268 -14.030 341 HA VAL 65 HA VAL 65 -23.387 7.913 -11.279 342 HB VAL 65 HB VAL 65 -25.705 9.259 -12.671 343 1HG1 VAL 65 1HG1 VAL 65 -26.340 10.045 -10.677 344 2HG1 VAL 65 2HG1 VAL 65 -25.324 8.774 -9.994 345 3HG1 VAL 65 3HG1 VAL 65 -24.683 10.406 -10.194 346 1HG2 VAL 65 1HG2 VAL 65 -22.884 10.119 -12.209 347 2HG2 VAL 65 2HG2 VAL 65 -23.913 10.354 -13.621 348 3HG2 VAL 65 3HG2 VAL 65 -24.175 11.320 -12.169 349 H ASP 66 H ASP 66 -24.389 6.692 -9.802 350 HA ASP 66 HA ASP 66 -26.006 4.519 -10.555 351 1HB ASP 66 2HB ASP 66 -24.596 5.231 -8.297 352 2HB ASP 66 3HB ASP 66 -26.268 5.330 -7.752 353 H LEU 67 H LEU 67 -28.011 4.442 -8.591 354 HA LEU 67 HA LEU 67 -29.973 6.208 -9.835 355 1HB LEU 67 2HB LEU 67 -31.592 4.769 -8.511 356 2HB LEU 67 3HB LEU 67 -30.704 3.989 -9.818 357 HG LEU 67 HG LEU 67 -31.013 2.737 -7.582 358 1HD1 LEU 67 1HD1 LEU 67 -28.877 2.830 -9.502 359 2HD1 LEU 67 2HD1 LEU 67 -29.581 1.442 -8.672 360 3HD1 LEU 67 3HD1 LEU 67 -28.266 2.345 -7.920 361 1HD2 LEU 67 1HD2 LEU 67 -29.366 3.174 -5.889 362 2HD2 LEU 67 2HD2 LEU 67 -30.279 4.653 -6.186 363 3HD2 LEU 67 3HD2 LEU 67 -28.656 4.469 -6.853 364 H SER 68 H SER 68 -27.972 7.090 -7.793 365 HA SER 68 HA SER 68 -27.848 8.340 -5.886 366 1HB SER 68 2HB SER 68 -29.445 10.124 -5.738 367 2HB SER 68 3HB SER 68 -29.201 9.785 -7.451 368 HG SER 68 HG SER 68 -31.442 10.015 -6.743 369 H ASP 69 H ASP 69 -28.236 5.926 -5.036 370 HA ASP 69 HA ASP 69 -30.657 5.500 -3.580 371 1HB ASP 69 2HB ASP 69 -28.394 3.966 -4.292 372 2HB ASP 69 3HB ASP 69 -28.470 3.956 -2.532 373 H ASP 70 H ASP 70 -31.031 5.645 -1.375 374 HA ASP 70 HA ASP 70 -29.609 7.738 -0.026 375 1HB ASP 70 2HB ASP 70 -31.914 5.958 0.755 376 2HB ASP 70 3HB ASP 70 -31.208 7.120 1.874 377 H ASN 71 H ASN 71 -28.969 4.519 -0.420 378 HA ASN 71 HA ASN 71 -27.502 4.383 2.133 379 1HB ASN 71 2HB ASN 71 -29.443 2.620 1.209 380 2HB ASN 71 3HB ASN 71 -27.925 1.807 0.842 381 1HD2 ASN 71 1HD2 ASN 71 -27.679 0.319 2.354 382 2HD2 ASN 71 2HD2 ASN 71 -27.784 0.586 4.058 383 H SER 72 H SER 72 -27.237 4.618 -1.191 384 HA SER 72 HA SER 72 -24.492 3.544 -1.132 385 1HB SER 72 2HB SER 72 -26.409 3.692 -3.472 386 2HB SER 72 3HB SER 72 -24.729 3.167 -3.577 387 HG SER 72 HG SER 72 -26.284 1.437 -3.364 388 HN2 GLY 73 H GLY 73 -26.288 5.666 -3.361 389 1HA GLY 73 2HA GLY 73 -25.708 7.682 -4.300 390 2HA GLY 73 3HA GLY 73 -25.185 8.100 -2.675 391 H LYS 74 H LYS 74 -24.181 6.902 -5.800 392 HA LYS 74 HA LYS 74 -21.502 7.893 -5.316 393 1HB LYS 74 2HB LYS 74 -20.439 5.763 -6.052 394 2HB LYS 74 3HB LYS 74 -21.242 5.647 -4.491 395 1HG LYS 74 2HG LYS 74 -23.140 4.543 -5.521 396 2HG LYS 74 3HG LYS 74 -22.393 4.708 -7.112 397 1HD LYS 74 2HD LYS 74 -21.385 2.753 -6.784 398 2HD LYS 74 3HD LYS 74 -20.470 3.489 -5.465 399 1HE LYS 74 2HE LYS 74 -21.989 2.744 -3.847 400 2HE LYS 74 3HE LYS 74 -23.244 2.425 -5.043 401 1HZ LYS 74 1HZ LYS 74 -21.576 0.705 -5.934 402 2HZ LYS 74 2HZ LYS 74 -22.452 0.331 -4.537 403 3HZ LYS 74 3HZ LYS 74 -20.842 0.836 -4.415 404 H ALA 75 H ALA 75 -20.127 7.363 -7.403 405 HA ALA 75 HA ALA 75 -21.577 7.124 -9.854 406 1HB ALA 75 1HB ALA 75 -20.670 9.852 -8.971 407 2HB ALA 75 2HB ALA 75 -20.965 9.441 -10.661 408 3HB ALA 75 3HB ALA 75 -22.280 9.348 -9.489 409 H TYR 76 H TYR 76 -20.011 7.976 -11.726 410 HA TYR 76 HA TYR 76 -17.218 7.473 -11.055 411 1HB TYR 76 2HB TYR 76 -18.415 5.940 -13.340 412 2HB TYR 76 3HB TYR 76 -16.923 5.631 -12.460 413 HD1 TYR 76 HD1 TYR 76 -20.594 5.333 -12.342 414 HD2 TYR 76 HD2 TYR 76 -16.917 4.324 -10.455 415 HE1 TYR 76 HE1 TYR 76 -21.773 3.698 -10.933 416 HE2 TYR 76 HE2 TYR 76 -18.085 2.684 -9.042 417 HH TYR 76 HH TYR 76 -20.233 1.319 -9.197 418 H ILE 77 H ILE 77 -15.926 8.812 -12.131 419 HA ILE 77 HA ILE 77 -17.018 10.196 -14.488 420 HB ILE 77 HB ILE 77 -14.744 11.132 -12.741 421 1HG1 ILE 77 2HG1 ILE 77 -17.668 11.909 -12.663 422 2HG1 ILE 77 3HG1 ILE 77 -16.798 11.022 -11.417 423 1HG2 ILE 77 1HG2 ILE 77 -14.857 13.162 -13.897 424 2HG2 ILE 77 2HG2 ILE 77 -15.010 11.937 -15.155 425 3HG2 ILE 77 3HG2 ILE 77 -16.441 12.789 -14.577 426 1HD1 ILE 77 1HD1 ILE 77 -17.048 13.844 -11.800 427 2HD1 ILE 77 2HD1 ILE 77 -16.347 12.954 -10.448 428 3HD1 ILE 77 3HD1 ILE 77 -15.348 13.378 -11.838 429 H VAL 78 H VAL 78 -16.318 9.203 -16.277 430 HA VAL 78 HA VAL 78 -13.703 7.974 -16.401 431 HB VAL 78 HB VAL 78 -15.711 8.323 -18.629 432 1HG1 VAL 78 1HG1 VAL 78 -14.078 5.970 -18.777 433 2HG1 VAL 78 2HG1 VAL 78 -14.241 7.291 -19.936 434 3HG1 VAL 78 3HG1 VAL 78 -13.059 7.402 -18.632 435 1HG2 VAL 78 1HG2 VAL 78 -16.475 6.074 -18.113 436 2HG2 VAL 78 2HG2 VAL 78 -15.353 5.984 -16.756 437 3HG2 VAL 78 3HG2 VAL 78 -16.692 7.131 -16.718 438 H PHE 79 H PHE 79 -11.906 8.933 -17.073 439 HA PHE 79 HA PHE 79 -12.142 11.485 -18.520 440 1HB PHE 79 2HB PHE 79 -10.025 10.429 -16.649 441 2HB PHE 79 3HB PHE 79 -9.747 11.821 -17.691 442 HD1 PHE 79 HD1 PHE 79 -11.406 10.581 -14.711 443 HD2 PHE 79 HD2 PHE 79 -10.993 13.901 -17.342 444 HE1 PHE 79 HE1 PHE 79 -12.440 12.043 -13.023 445 HE2 PHE 79 HE2 PHE 79 -12.026 15.368 -15.658 446 HZ PHE 79 HZ PHE 79 -12.751 14.440 -13.495 447 H ALA 80 H ALA 80 -9.983 11.920 -19.798 448 HA ALA 80 HA ALA 80 -9.948 10.230 -22.003 449 1HB ALA 80 1HB ALA 80 -7.421 11.613 -21.623 450 2HB ALA 80 2HB ALA 80 -8.638 11.803 -22.887 451 3HB ALA 80 3HB ALA 80 -8.815 12.659 -21.355 452 H THR 81 H THR 81 -7.713 10.367 -19.248 453 HA THR 81 HA THR 81 -7.125 7.575 -19.472 454 HB THR 81 HB THR 81 -4.553 8.912 -19.594 455 HG1 THR 81 HG1 THR 81 -5.975 8.971 -22.037 456 1HG2 THR 81 1HG2 THR 81 -5.884 6.745 -21.222 457 2HG2 THR 81 2HG2 THR 81 -4.779 6.529 -19.863 458 3HG2 THR 81 3HG2 THR 81 -4.191 7.212 -21.379 459 H GLN 82 H GLN 82 -5.282 6.995 -17.885 460 HA GLN 82 HA GLN 82 -5.999 7.749 -15.328 461 1HB GLN 82 2HB GLN 82 -4.371 5.860 -16.319 462 2HB GLN 82 3HB GLN 82 -3.158 6.997 -15.746 463 1HG GLN 82 2HG GLN 82 -5.249 6.525 -13.790 464 2HG GLN 82 3HG GLN 82 -4.407 5.049 -14.258 465 1HE2 GLN 82 1HE2 GLN 82 -1.963 5.312 -14.337 466 2HE2 GLN 82 2HE2 GLN 82 -1.246 6.158 -13.012 467 H GLU 83 H GLU 83 -3.800 9.289 -17.542 468 HA GLU 83 HA GLU 83 -2.321 10.861 -15.768 469 1HB GLU 83 2HB GLU 83 -3.024 11.009 -18.648 470 2HB GLU 83 3HB GLU 83 -2.443 12.489 -17.898 471 1HG GLU 83 2HG GLU 83 -0.353 11.618 -17.477 472 2HG GLU 83 3HG GLU 83 -0.923 9.951 -17.527 473 H SER 84 H SER 84 -5.339 11.634 -17.489 474 HA SER 84 HA SER 84 -5.645 14.168 -16.211 475 1HB SER 84 2HB SER 84 -7.180 12.526 -18.129 476 2HB SER 84 3HB SER 84 -8.143 13.605 -17.121 477 HG SER 84 HG SER 84 -6.465 14.189 -19.190 478 H ALA 85 H ALA 85 -7.155 10.986 -15.777 479 HA ALA 85 HA ALA 85 -9.002 11.615 -13.815 480 1HB ALA 85 1HB ALA 85 -9.398 9.436 -13.930 481 2HB ALA 85 2HB ALA 85 -7.988 9.272 -14.977 482 3HB ALA 85 3HB ALA 85 -7.820 9.069 -13.233 483 H GLN 86 H GLN 86 -5.613 10.614 -13.395 484 HA GLN 86 HA GLN 86 -5.551 10.644 -10.608 485 1HB GLN 86 2HB GLN 86 -3.749 9.672 -11.905 486 2HB GLN 86 3HB GLN 86 -3.352 11.241 -12.592 487 1HG GLN 86 2HG GLN 86 -3.264 11.510 -9.783 488 2HG GLN 86 3HG GLN 86 -2.393 10.036 -10.203 489 1HE2 GLN 86 1HE2 GLN 86 -2.746 13.327 -11.494 490 2HE2 GLN 86 2HE2 GLN 86 -1.057 13.593 -11.741 491 H ALA 87 H ALA 87 -4.857 13.243 -12.922 492 HA ALA 87 HA ALA 87 -4.095 15.198 -11.065 493 1HB ALA 87 1HB ALA 87 -5.372 15.488 -13.779 494 2HB ALA 87 2HB ALA 87 -4.685 16.822 -12.851 495 3HB ALA 87 3HB ALA 87 -3.649 15.505 -13.402 496 H PHE 88 H PHE 88 -7.266 14.224 -12.252 497 HA PHE 88 HA PHE 88 -8.675 16.366 -10.985 498 1HB PHE 88 2HB PHE 88 -9.742 15.400 -12.868 499 2HB PHE 88 3HB PHE 88 -9.544 13.767 -12.240 500 HD1 PHE 88 HD1 PHE 88 -10.977 12.948 -10.435 501 HD2 PHE 88 HD2 PHE 88 -11.553 16.791 -12.170 502 HE1 PHE 88 HE1 PHE 88 -13.226 13.055 -9.442 503 HE2 PHE 88 HE2 PHE 88 -13.803 16.905 -11.180 504 HZ PHE 88 HZ PHE 88 -14.641 15.035 -9.813 505 H VAL 89 H VAL 89 -7.858 13.054 -10.135 506 HA VAL 89 HA VAL 89 -9.513 12.858 -7.847 507 HB VAL 89 HB VAL 89 -6.954 11.389 -8.495 508 1HG1 VAL 89 1HG1 VAL 89 -8.424 9.734 -6.902 509 2HG1 VAL 89 2HG1 VAL 89 -7.085 10.743 -6.351 510 3HG1 VAL 89 3HG1 VAL 89 -8.747 11.311 -6.181 511 1HG2 VAL 89 1HG2 VAL 89 -9.558 10.033 -8.680 512 2HG2 VAL 89 2HG2 VAL 89 -9.276 11.291 -9.883 513 3HG2 VAL 89 3HG2 VAL 89 -8.151 9.940 -9.739 514 H GLU 90 H GLU 90 -6.176 13.915 -8.326 515 HA GLU 90 HA GLU 90 -5.730 14.320 -5.506 516 1HB GLU 90 2HB GLU 90 -3.537 14.916 -6.071 517 2HB GLU 90 3HB GLU 90 -3.968 13.706 -7.270 518 1HG GLU 90 2HG GLU 90 -3.103 15.213 -8.690 519 2HG GLU 90 3HG GLU 90 -4.716 15.915 -8.585 520 H ALA 91 H ALA 91 -6.850 16.183 -8.201 521 HA ALA 91 HA ALA 91 -6.379 18.755 -7.021 522 1HB ALA 91 1HB ALA 91 -7.958 17.824 -9.400 523 2HB ALA 91 2HB ALA 91 -7.969 19.506 -8.867 524 3HB ALA 91 3HB ALA 91 -6.456 18.748 -9.365 525 H PHE 92 H PHE 92 -8.847 16.356 -6.806 526 HA PHE 92 HA PHE 92 -10.551 18.244 -5.318 527 1HB PHE 92 2HB PHE 92 -11.285 15.882 -7.039 528 2HB PHE 92 3HB PHE 92 -12.405 16.558 -5.861 529 HD1 PHE 92 HD1 PHE 92 -10.243 17.613 -8.707 530 HD2 PHE 92 HD2 PHE 92 -13.849 18.220 -6.529 531 HE1 PHE 92 HE1 PHE 92 -10.952 19.295 -10.357 532 HE2 PHE 92 HE2 PHE 92 -14.565 19.902 -8.175 533 HZ PHE 92 HZ PHE 92 -13.116 20.441 -10.093 534 H GLN 93 H GLN 93 -8.408 15.814 -4.921 535 HA GLN 93 HA GLN 93 -9.466 13.914 -3.269 536 1HB GLN 93 2HB GLN 93 -7.185 13.709 -3.829 537 2HB GLN 93 3HB GLN 93 -6.801 15.308 -3.204 538 1HG GLN 93 2HG GLN 93 -5.945 13.562 -1.751 539 2HG GLN 93 3HG GLN 93 -7.171 14.528 -0.933 540 1HE2 GLN 93 1HE2 GLN 93 -7.258 12.680 0.517 541 2HE2 GLN 93 2HE2 GLN 93 -8.257 11.334 0.102 542 HN2 GLY 94 H GLY 94 -8.766 17.266 -2.507 543 1HA GLY 94 2HA GLY 94 -10.140 16.877 0.071 544 2HA GLY 94 3HA GLY 94 -8.628 17.770 0.003 545 H TYR 95 H TYR 95 -11.701 17.744 -1.812 546 HA TYR 95 HA TYR 95 -11.862 20.650 -1.375 547 1HB TYR 95 2HB TYR 95 -11.122 20.325 -3.657 548 2HB TYR 95 3HB TYR 95 -12.407 19.158 -3.949 549 HD1 TYR 95 HD1 TYR 95 -11.524 22.671 -3.802 550 HD2 TYR 95 HD2 TYR 95 -14.764 19.928 -4.086 551 HE1 TYR 95 HE1 TYR 95 -12.987 24.489 -4.579 552 HE2 TYR 95 HE2 TYR 95 -16.236 21.739 -4.864 553 HH TYR 95 HH TYR 95 -14.997 24.902 -5.657 554 HA PRO 96 HA PRO 96 -15.897 19.698 0.144 555 1HB PRO 96 2HB PRO 96 -16.906 22.218 0.120 556 2HB PRO 96 3HB PRO 96 -15.738 21.663 1.324 557 1HG PRO 96 2HG PRO 96 -15.280 23.271 -1.159 558 2HG PRO 96 3HG PRO 96 -14.591 23.492 0.461 559 1HD PRO 96 2HD PRO 96 -13.226 22.303 -1.553 560 2HD PRO 96 3HD PRO 96 -13.007 21.847 0.149 561 H PHE 97 H PHE 97 -17.012 18.536 -1.363 562 HA PHE 97 HA PHE 97 -18.480 20.088 -3.382 563 1HB PHE 97 2HB PHE 97 -16.725 18.950 -4.588 564 2HB PHE 97 3HB PHE 97 -17.105 17.427 -3.791 565 HD1 PHE 97 HD1 PHE 97 -18.856 20.033 -5.813 566 HD2 PHE 97 HD2 PHE 97 -18.280 15.892 -5.015 567 HE1 PHE 97 HE1 PHE 97 -20.402 19.469 -7.641 568 HE2 PHE 97 HE2 PHE 97 -19.825 15.322 -6.843 569 HZ PHE 97 HZ PHE 97 -20.887 17.111 -8.160 570 H GLN 98 H GLN 98 -20.573 19.408 -3.817 571 HA GLN 98 HA GLN 98 -22.625 18.570 -3.304 572 1HB GLN 98 2HB GLN 98 -20.855 16.363 -3.606 573 2HB GLN 98 3HB GLN 98 -21.957 15.990 -2.287 574 1HG GLN 98 2HG GLN 98 -22.638 16.651 -5.135 575 2HG GLN 98 3HG GLN 98 -22.937 15.149 -4.262 576 1HE2 GLN 98 1HE2 GLN 98 -24.118 18.233 -5.072 577 2HE2 GLN 98 2HE2 GLN 98 -25.581 18.174 -4.156 578 HN2 GLY 99 H GLY 99 -20.947 19.834 -1.176 579 1HA GLY 99 2HA GLY 99 -22.357 20.272 0.910 580 2HA GLY 99 3HA GLY 99 -22.142 18.552 1.196 581 H ASN 100 H ASN 100 -19.683 17.910 0.987 582 HA ASN 100 HA ASN 100 -17.670 19.722 1.647 583 1HB ASN 100 2HB ASN 100 -19.414 19.080 3.854 584 2HB ASN 100 3HB ASN 100 -17.784 18.498 4.178 585 1HD2 ASN 100 1HD2 ASN 100 -17.658 20.055 5.853 586 2HD2 ASN 100 2HD2 ASN 100 -17.328 21.712 5.494 587 HA PRO 101 HA PRO 101 -16.150 15.278 2.751 588 1HB PRO 101 2HB PRO 101 -18.012 13.306 2.868 589 2HB PRO 101 3HB PRO 101 -17.565 14.289 4.267 590 1HG PRO 101 2HG PRO 101 -19.921 14.555 2.440 591 2HG PRO 101 3HG PRO 101 -19.855 14.687 4.207 592 1HD PRO 101 2HD PRO 101 -19.929 16.855 2.585 593 2HD PRO 101 3HD PRO 101 -19.074 16.855 4.141 594 H LEU 102 H LEU 102 -15.243 15.284 0.714 595 HA LEU 102 HA LEU 102 -16.740 13.828 -1.365 596 1HB LEU 102 2HB LEU 102 -16.570 16.055 -2.124 597 2HB LEU 102 3HB LEU 102 -14.889 16.181 -1.608 598 HG LEU 102 HG LEU 102 -14.317 14.513 -3.398 599 1HD1 LEU 102 1HD1 LEU 102 -17.232 14.709 -3.790 600 2HD1 LEU 102 2HD1 LEU 102 -16.124 13.381 -4.130 601 3HD1 LEU 102 3HD1 LEU 102 -16.248 14.734 -5.254 602 1HD2 LEU 102 1HD2 LEU 102 -13.668 16.466 -4.264 603 2HD2 LEU 102 2HD2 LEU 102 -15.112 17.301 -3.690 604 3HD2 LEU 102 3HD2 LEU 102 -15.155 16.404 -5.209 605 H VAL 103 H VAL 103 -15.748 12.134 -2.314 606 HA VAL 103 HA VAL 103 -12.901 11.686 -1.704 607 HB VAL 103 HB VAL 103 -14.375 10.259 -0.283 608 1HG1 VAL 103 1HG1 VAL 103 -15.903 9.981 -2.518 609 2HG1 VAL 103 2HG1 VAL 103 -15.029 8.448 -2.493 610 3HG1 VAL 103 3HG1 VAL 103 -15.994 8.937 -1.100 611 1HG2 VAL 103 1HG2 VAL 103 -12.071 9.607 -0.934 612 2HG2 VAL 103 2HG2 VAL 103 -13.129 8.228 -0.632 613 3HG2 VAL 103 3HG2 VAL 103 -12.748 8.701 -2.288 614 H ILE 104 H ILE 104 -11.657 11.015 -3.365 615 HA ILE 104 HA ILE 104 -12.977 10.129 -5.835 616 HB ILE 104 HB ILE 104 -10.888 11.493 -6.870 617 1HG1 ILE 104 2HG1 ILE 104 -10.557 12.353 -4.422 618 2HG1 ILE 104 3HG1 ILE 104 -10.415 13.480 -5.767 619 1HG2 ILE 104 1HG2 ILE 104 -13.036 11.696 -7.800 620 2HG2 ILE 104 2HG2 ILE 104 -13.703 12.380 -6.319 621 3HG2 ILE 104 3HG2 ILE 104 -12.594 13.330 -7.307 622 1HD1 ILE 104 1HD1 ILE 104 -12.312 14.591 -5.212 623 2HD1 ILE 104 2HD1 ILE 104 -13.079 13.164 -4.515 624 3HD1 ILE 104 3HD1 ILE 104 -11.835 14.027 -3.611 625 H THR 105 H THR 105 -12.099 8.351 -6.670 626 HA THR 105 HA THR 105 -9.273 7.766 -6.232 627 HB THR 105 HB THR 105 -9.761 5.437 -5.547 628 HG1 THR 105 HG1 THR 105 -11.945 5.045 -4.782 629 1HG2 THR 105 1HG2 THR 105 -10.104 5.908 -3.269 630 2HG2 THR 105 2HG2 THR 105 -11.113 7.311 -3.623 631 3HG2 THR 105 3HG2 THR 105 -9.376 7.375 -3.920 632 H PHE 106 H PHE 106 -8.560 5.858 -7.531 633 HA PHE 106 HA PHE 106 -9.591 6.091 -10.197 634 1HB PHE 106 2HB PHE 106 -7.471 4.234 -9.097 635 2HB PHE 106 3HB PHE 106 -7.789 4.538 -10.802 636 HD1 PHE 106 HD1 PHE 106 -7.367 6.819 -11.732 637 HD2 PHE 106 HD2 PHE 106 -6.109 5.671 -7.831 638 HE1 PHE 106 HE1 PHE 106 -5.786 8.704 -11.691 639 HE2 PHE 106 HE2 PHE 106 -4.526 7.554 -7.784 640 HZ PHE 106 HZ PHE 106 -4.364 9.074 -9.715 641 H SER 107 H SER 107 -9.451 3.670 -11.338 642 HA SER 107 HA SER 107 -11.012 1.742 -9.844 643 1HB SER 107 2HB SER 107 -12.220 3.567 -11.807 644 2HB SER 107 3HB SER 107 -12.571 1.864 -12.098 645 HG SER 107 HG SER 107 -14.118 2.616 -10.706 646 H GLU 108 H GLU 108 -11.739 -0.053 -11.567 647 HA GLU 108 HA GLU 108 -9.272 -0.743 -12.996 648 1HB GLU 108 2HB GLU 108 -11.575 -2.554 -12.257 649 2HB GLU 108 3HB GLU 108 -10.004 -3.044 -12.874 650 1HG GLU 108 2HG GLU 108 -8.992 -2.040 -10.810 651 2HG GLU 108 3HG GLU 108 -10.631 -1.850 -10.190 652 H THR 109 H THR 109 -9.286 -1.420 -15.133 653 HA THR 109 HA THR 109 -11.814 -1.149 -16.604 654 HB THR 109 HB THR 109 -10.611 0.029 -18.434 655 HG1 THR 109 HG1 THR 109 -8.526 0.084 -16.495 656 1HG2 THR 109 1HG2 THR 109 -10.591 1.400 -15.743 657 2HG2 THR 109 2HG2 THR 109 -11.941 1.326 -16.876 658 3HG2 THR 109 3HG2 THR 109 -10.482 2.224 -17.298 659 HA PRO 110 HA PRO 110 -9.472 -5.019 -17.712 660 1HB PRO 110 2HB PRO 110 -11.609 -6.675 -17.458 661 2HB PRO 110 3HB PRO 110 -10.557 -6.249 -16.102 662 1HG PRO 110 2HG PRO 110 -13.227 -5.123 -16.855 663 2HG PRO 110 3HG PRO 110 -12.611 -5.565 -15.252 664 1HD PRO 110 2HD PRO 110 -12.674 -3.006 -16.133 665 2HD PRO 110 3HD PRO 110 -11.418 -3.606 -15.031 666 H GLN 111 H GLN 111 -10.421 -6.789 -19.321 667 HA GLN 111 HA GLN 111 -12.379 -6.039 -21.193 668 1HB GLN 111 2HB GLN 111 -10.338 -4.390 -21.550 669 2HB GLN 111 3HB GLN 111 -9.685 -5.756 -22.444 670 1HG GLN 111 2HG GLN 111 -11.810 -5.775 -23.775 671 2HG GLN 111 3HG GLN 111 -12.230 -4.254 -22.988 672 1HE2 GLN 111 1HE2 GLN 111 -11.115 -2.394 -23.516 673 2HE2 GLN 111 2HE2 GLN 111 -10.079 -2.289 -24.894 674 H SER 112 H SER 112 -9.376 -7.764 -20.581 675 HA SER 112 HA SER 112 -9.645 -9.712 -22.600 676 1HB SER 112 2HB SER 112 -8.086 -9.518 -20.051 677 2HB SER 112 3HB SER 112 -8.171 -11.068 -20.887 678 HG SER 112 HG SER 112 -6.439 -9.364 -21.420 679 H GLN 113 H GLN 113 -11.110 -9.354 -19.480 680 HA GLN 113 HA GLN 113 -11.820 -11.940 -18.832 681 1HB GLN 113 2HB GLN 113 -13.827 -10.909 -17.725 682 2HB GLN 113 3HB GLN 113 -12.286 -10.180 -17.291 683 1HG GLN 113 2HG GLN 113 -12.744 -8.405 -18.990 684 2HG GLN 113 3HG GLN 113 -14.359 -9.089 -19.175 685 1HE2 GLN 113 1HE2 GLN 113 -14.778 -6.767 -18.526 686 2HE2 GLN 113 2HE2 GLN 113 -14.972 -6.463 -16.836 687 H VAL 114 H VAL 114 -13.535 -9.672 -20.960 688 HA VAL 114 HA VAL 114 -15.543 -11.625 -21.644 689 HB VAL 114 HB VAL 114 -16.324 -9.911 -23.268 690 1HG1 VAL 114 1HG1 VAL 114 -15.863 -8.732 -20.535 691 2HG1 VAL 114 2HG1 VAL 114 -17.207 -8.419 -21.635 692 3HG1 VAL 114 3HG1 VAL 114 -17.045 -9.998 -20.865 693 1HG2 VAL 114 1HG2 VAL 114 -14.207 -8.122 -22.099 694 2HG2 VAL 114 2HG2 VAL 114 -14.009 -8.966 -23.634 695 3HG2 VAL 114 3HG2 VAL 114 -15.301 -7.782 -23.440 696 H ALA 115 H ALA 115 -12.488 -10.580 -22.891 697 HA ALA 115 HA ALA 115 -12.769 -11.407 -25.570 698 1HB ALA 115 1HB ALA 115 -10.951 -9.946 -24.649 699 2HB ALA 115 2HB ALA 115 -10.209 -11.402 -23.985 700 3HB ALA 115 3HB ALA 115 -10.401 -11.228 -25.729 701 H GLU 116 H GLU 116 -12.240 -13.162 -22.632 702 HA GLU 116 HA GLU 116 -11.038 -15.484 -23.626 703 1HB GLU 116 2HB GLU 116 -11.450 -14.798 -21.190 704 2HB GLU 116 3HB GLU 116 -13.060 -15.472 -21.395 705 1HG GLU 116 2HG GLU 116 -11.959 -17.258 -20.501 706 2HG GLU 116 3HG GLU 116 -11.756 -17.577 -22.223 707 H ASP 117 H ASP 117 -14.431 -14.532 -23.431 708 HA ASP 117 HA ASP 117 -15.172 -16.987 -24.870 709 1HB ASP 117 2HB ASP 117 -16.384 -16.653 -22.779 710 2HB ASP 117 3HB ASP 117 -16.890 -15.050 -23.305 Start of MODEL 11 1 H THR 22 H THR 22 8.898 -0.568 -20.989 2 HA THR 22 HA THR 22 7.215 -1.176 -18.796 3 HB THR 22 HB THR 22 6.120 1.077 -19.457 4 HG1 THR 22 HG1 THR 22 7.874 2.235 -20.778 5 1HG2 THR 22 1HG2 THR 22 9.014 0.773 -18.676 6 2HG2 THR 22 2HG2 THR 22 7.621 1.010 -17.621 7 3HG2 THR 22 3HG2 THR 22 8.176 2.324 -18.658 8 HA PRO 23 HA PRO 23 4.324 -2.925 -22.008 9 1HB PRO 23 2HB PRO 23 3.758 -5.189 -20.621 10 2HB PRO 23 3HB PRO 23 5.133 -5.056 -21.724 11 1HG PRO 23 2HG PRO 23 5.068 -4.824 -18.740 12 2HG PRO 23 3HG PRO 23 6.237 -5.670 -19.771 13 1HD PRO 23 2HD PRO 23 6.732 -3.230 -18.705 14 2HD PRO 23 3HD PRO 23 7.378 -3.733 -20.280 15 HA PRO 24 HA PRO 24 1.175 -1.054 -19.364 16 1HB PRO 24 2HB PRO 24 -0.560 -0.570 -21.395 17 2HB PRO 24 3HB PRO 24 0.827 0.469 -21.049 18 1HG PRO 24 2HG PRO 24 0.540 -1.680 -23.112 19 2HG PRO 24 3HG PRO 24 1.271 -0.072 -23.266 20 1HD PRO 24 2HD PRO 24 2.747 -2.317 -22.933 21 2HD PRO 24 3HD PRO 24 3.250 -0.740 -22.292 22 H HIS 25 H HIS 25 -0.310 -2.149 -18.250 23 HA HIS 25 HA HIS 25 -1.556 -4.501 -19.510 24 1HB HIS 25 2HB HIS 25 -1.036 -3.917 -16.588 25 2HB HIS 25 3HB HIS 25 -1.896 -5.332 -17.189 26 HD1 HIS 25 HD1 HIS 25 1.464 -4.052 -16.496 27 HD2 HIS 25 HD2 HIS 25 -0.219 -7.131 -18.722 28 HE1 HIS 25 HE1 HIS 25 3.358 -5.625 -17.008 29 H THR 26 H THR 26 -3.078 -2.899 -20.448 30 HA THR 26 HA THR 26 -5.114 -1.882 -20.543 31 HB THR 26 HB THR 26 -6.257 -2.979 -18.103 32 HG1 THR 26 HG1 THR 26 -5.223 -4.826 -18.161 33 1HG2 THR 26 1HG2 THR 26 -7.486 -4.227 -20.175 34 2HG2 THR 26 2HG2 THR 26 -6.833 -2.803 -20.985 35 3HG2 THR 26 3HG2 THR 26 -7.907 -2.614 -19.600 36 H GLU 27 H GLU 27 -2.967 -0.649 -18.938 37 HA GLU 27 HA GLU 27 -2.664 1.203 -17.653 38 1HB GLU 27 2HB GLU 27 -5.654 1.590 -17.746 39 2HB GLU 27 3HB GLU 27 -4.416 2.816 -17.512 40 1HG GLU 27 2HG GLU 27 -4.361 3.191 -19.685 41 2HG GLU 27 3HG GLU 27 -3.898 1.515 -19.975 42 HA PRO 28 HA PRO 28 -3.272 -0.045 -13.489 43 1HB PRO 28 2HB PRO 28 -2.957 2.317 -12.187 44 2HB PRO 28 3HB PRO 28 -1.612 1.443 -12.930 45 1HG PRO 28 2HG PRO 28 -3.168 3.775 -13.982 46 2HG PRO 28 3HG PRO 28 -1.418 3.488 -14.020 47 1HD PRO 28 2HD PRO 28 -3.013 3.050 -16.164 48 2HD PRO 28 3HD PRO 28 -1.561 2.081 -15.840 49 H SER 29 H SER 29 -4.937 3.032 -14.203 50 HA SER 29 HA SER 29 -7.515 2.106 -13.673 51 1HB SER 29 2HB SER 29 -6.135 2.266 -11.307 52 2HB SER 29 3HB SER 29 -6.925 3.841 -11.375 53 HG SER 29 HG SER 29 -7.991 1.500 -10.732 54 H GLN 30 H GLN 30 -8.144 3.386 -15.346 55 HA GLN 30 HA GLN 30 -7.574 6.251 -15.231 56 1HB GLN 30 2HB GLN 30 -9.033 4.812 -17.437 57 2HB GLN 30 3HB GLN 30 -8.201 6.359 -17.513 58 1HG GLN 30 2HG GLN 30 -6.074 5.050 -17.018 59 2HG GLN 30 3HG GLN 30 -7.019 3.608 -17.386 60 1HE2 GLN 30 1HE2 GLN 30 -8.582 4.532 -19.452 61 2HE2 GLN 30 2HE2 GLN 30 -7.581 4.887 -20.815 62 H VAL 31 H VAL 31 -9.520 4.821 -13.466 63 HA VAL 31 HA VAL 31 -11.800 6.588 -13.999 64 HB VAL 31 HB VAL 31 -13.414 4.879 -13.462 65 1HG1 VAL 31 1HG1 VAL 31 -11.915 3.279 -15.388 66 2HG1 VAL 31 2HG1 VAL 31 -13.472 4.094 -15.556 67 3HG1 VAL 31 3HG1 VAL 31 -11.974 4.994 -15.793 68 1HG2 VAL 31 1HG2 VAL 31 -12.293 3.534 -11.875 69 2HG2 VAL 31 2HG2 VAL 31 -12.621 2.483 -13.253 70 3HG2 VAL 31 3HG2 VAL 31 -11.002 3.139 -13.009 71 H VAL 32 H VAL 32 -13.073 7.089 -12.124 72 HA VAL 32 HA VAL 32 -11.768 6.480 -9.558 73 HB VAL 32 HB VAL 32 -11.968 8.728 -8.794 74 1HG1 VAL 32 1HG1 VAL 32 -9.980 8.305 -10.100 75 2HG1 VAL 32 2HG1 VAL 32 -10.841 8.689 -11.592 76 3HG1 VAL 32 3HG1 VAL 32 -10.540 9.950 -10.396 77 1HG2 VAL 32 1HG2 VAL 32 -13.802 9.807 -9.515 78 2HG2 VAL 32 2HG2 VAL 32 -12.754 10.368 -10.818 79 3HG2 VAL 32 3HG2 VAL 32 -13.805 8.974 -11.069 80 H LEU 33 H LEU 33 -13.112 6.138 -7.846 81 HA LEU 33 HA LEU 33 -15.991 6.133 -8.444 82 1HB LEU 33 2HB LEU 33 -15.535 3.962 -7.912 83 2HB LEU 33 3HB LEU 33 -14.216 4.391 -6.826 84 HG LEU 33 HG LEU 33 -15.827 5.030 -5.107 85 1HD1 LEU 33 1HD1 LEU 33 -17.613 5.205 -7.243 86 2HD1 LEU 33 2HD1 LEU 33 -17.966 5.436 -5.531 87 3HD1 LEU 33 3HD1 LEU 33 -18.180 3.849 -6.269 88 1HD2 LEU 33 1HD2 LEU 33 -16.763 2.773 -4.671 89 2HD2 LEU 33 2HD2 LEU 33 -15.047 2.757 -5.080 90 3HD2 LEU 33 3HD2 LEU 33 -16.247 2.287 -6.286 91 H ILE 34 H ILE 34 -17.176 7.652 -7.512 92 HA ILE 34 HA ILE 34 -16.170 8.922 -5.056 93 HB ILE 34 HB ILE 34 -17.646 10.815 -5.612 94 1HG1 ILE 34 2HG1 ILE 34 -19.004 9.054 -7.185 95 2HG1 ILE 34 3HG1 ILE 34 -19.149 10.804 -7.303 96 1HG2 ILE 34 1HG2 ILE 34 -15.374 10.982 -6.308 97 2HG2 ILE 34 2HG2 ILE 34 -15.671 9.971 -7.720 98 3HG2 ILE 34 3HG2 ILE 34 -16.375 11.585 -7.628 99 1HD1 ILE 34 1HD1 ILE 34 -18.823 9.622 -9.471 100 2HD1 ILE 34 2HD1 ILE 34 -17.632 10.878 -9.131 101 3HD1 ILE 34 3HD1 ILE 34 -17.207 9.180 -8.921 102 H THR 35 H THR 35 -17.538 9.258 -3.302 103 HA THR 35 HA THR 35 -20.213 8.076 -3.402 104 HB THR 35 HB THR 35 -19.899 6.737 -1.433 105 HG1 THR 35 HG1 THR 35 -17.139 7.256 -1.338 106 1HG2 THR 35 1HG2 THR 35 -17.663 6.303 -3.416 107 2HG2 THR 35 2HG2 THR 35 -19.290 5.626 -3.490 108 3HG2 THR 35 3HG2 THR 35 -18.182 5.121 -2.215 109 H ASN 36 H ASN 36 -21.033 8.278 -0.878 110 HA ASN 36 HA ASN 36 -21.768 9.703 0.737 111 1HB ASN 36 2HB ASN 36 -19.011 10.228 0.513 112 2HB ASN 36 3HB ASN 36 -19.797 11.803 0.564 113 1HD2 ASN 36 1HD2 ASN 36 -20.886 12.436 2.403 114 2HD2 ASN 36 2HD2 ASN 36 -20.735 11.600 3.908 115 H ILE 37 H ILE 37 -22.334 10.086 -2.170 116 HA ILE 37 HA ILE 37 -22.821 12.966 -2.310 117 HB ILE 37 HB ILE 37 -23.604 12.477 -4.632 118 1HG1 ILE 37 2HG1 ILE 37 -22.505 9.711 -4.095 119 2HG1 ILE 37 3HG1 ILE 37 -24.221 10.095 -4.169 120 1HG2 ILE 37 1HG2 ILE 37 -20.821 11.552 -3.928 121 2HG2 ILE 37 2HG2 ILE 37 -21.359 12.044 -5.533 122 3HG2 ILE 37 3HG2 ILE 37 -21.330 13.216 -4.216 123 1HD1 ILE 37 1HD1 ILE 37 -22.261 9.767 -6.325 124 2HD1 ILE 37 2HD1 ILE 37 -23.998 9.465 -6.306 125 3HD1 ILE 37 3HD1 ILE 37 -23.391 11.106 -6.525 126 H ASN 38 H ASN 38 -24.811 13.879 -2.242 127 HA ASN 38 HA ASN 38 -26.977 12.257 -1.232 128 1HB ASN 38 2HB ASN 38 -26.214 15.000 -1.081 129 2HB ASN 38 3HB ASN 38 -27.832 14.924 -1.772 130 1HD2 ASN 38 1HD2 ASN 38 -28.721 15.855 0.075 131 2HD2 ASN 38 2HD2 ASN 38 -28.911 14.965 1.544 132 HA PRO 39 HA PRO 39 -28.748 11.575 -5.246 133 1HB PRO 39 2HB PRO 39 -31.044 10.418 -4.373 134 2HB PRO 39 3HB PRO 39 -29.492 9.573 -4.399 135 1HG PRO 39 2HG PRO 39 -30.883 10.909 -2.109 136 2HG PRO 39 3HG PRO 39 -30.037 9.351 -2.149 137 1HD PRO 39 2HD PRO 39 -28.904 11.599 -1.151 138 2HD PRO 39 3HD PRO 39 -27.959 10.331 -1.959 139 H GLU 40 H GLU 40 -29.813 13.711 -2.862 140 HA GLU 40 HA GLU 40 -32.343 14.491 -3.623 141 1HB GLU 40 2HB GLU 40 -30.193 15.601 -2.082 142 2HB GLU 40 3HB GLU 40 -30.913 16.868 -3.066 143 1HG GLU 40 2HG GLU 40 -33.103 15.559 -2.051 144 2HG GLU 40 3HG GLU 40 -31.951 15.507 -0.718 145 H VAL 41 H VAL 41 -29.309 15.045 -5.234 146 HA VAL 41 HA VAL 41 -30.515 16.928 -7.112 147 HB VAL 41 HB VAL 41 -28.282 17.471 -6.320 148 1HG1 VAL 41 1HG1 VAL 41 -27.460 14.837 -7.539 149 2HG1 VAL 41 2HG1 VAL 41 -26.355 16.059 -6.907 150 3HG1 VAL 41 3HG1 VAL 41 -27.477 15.238 -5.822 151 1HG2 VAL 41 1HG2 VAL 41 -28.802 18.225 -8.530 152 2HG2 VAL 41 2HG2 VAL 41 -27.131 17.661 -8.529 153 3HG2 VAL 41 3HG2 VAL 41 -28.403 16.651 -9.218 154 HA PRO 42 HA PRO 42 -31.435 13.729 -10.024 155 1HB PRO 42 2HB PRO 42 -31.874 15.327 -12.174 156 2HB PRO 42 3HB PRO 42 -33.030 15.162 -10.848 157 1HG PRO 42 2HG PRO 42 -31.018 17.321 -11.350 158 2HG PRO 42 3HG PRO 42 -32.704 17.465 -10.818 159 1HD PRO 42 2HD PRO 42 -30.615 17.637 -9.104 160 2HD PRO 42 3HD PRO 42 -32.187 16.963 -8.629 161 H LYS 43 H LYS 43 -30.292 12.514 -11.434 162 HA LYS 43 HA LYS 43 -27.596 12.784 -11.820 163 1HB LYS 43 2HB LYS 43 -28.565 10.687 -12.310 164 2HB LYS 43 3HB LYS 43 -29.689 11.384 -13.469 165 1HG LYS 43 2HG LYS 43 -27.966 11.724 -15.065 166 2HG LYS 43 3HG LYS 43 -26.711 11.343 -13.884 167 1HD LYS 43 2HD LYS 43 -26.985 9.117 -14.124 168 2HD LYS 43 3HD LYS 43 -28.738 9.247 -14.283 169 1HE LYS 43 2HE LYS 43 -28.010 10.377 -16.596 170 2HE LYS 43 3HE LYS 43 -26.624 9.314 -16.356 171 1HZ LYS 43 1HZ LYS 43 -28.235 8.128 -17.600 172 2HZ LYS 43 2HZ LYS 43 -29.480 8.533 -16.529 173 3HZ LYS 43 3HZ LYS 43 -28.254 7.474 -16.040 174 H GLU 44 H GLU 44 -30.192 14.179 -13.720 175 HA GLU 44 HA GLU 44 -28.879 14.937 -16.018 176 1HB GLU 44 2HB GLU 44 -31.222 15.878 -14.527 177 2HB GLU 44 3HB GLU 44 -30.465 17.123 -15.510 178 1HG GLU 44 2HG GLU 44 -31.013 16.114 -17.467 179 2HG GLU 44 3HG GLU 44 -30.948 14.492 -16.779 180 H LYS 45 H LYS 45 -29.188 16.881 -13.044 181 HA LYS 45 HA LYS 45 -27.196 18.756 -13.984 182 1HB LYS 45 2HB LYS 45 -28.707 18.561 -11.373 183 2HB LYS 45 3HB LYS 45 -27.586 19.856 -11.773 184 1HG LYS 45 2HG LYS 45 -28.990 20.552 -13.613 185 2HG LYS 45 3HG LYS 45 -30.087 19.200 -13.318 186 1HD LYS 45 2HD LYS 45 -29.671 20.736 -10.911 187 2HD LYS 45 3HD LYS 45 -30.233 21.769 -12.228 188 1HE LYS 45 2HE LYS 45 -31.634 19.199 -11.979 189 2HE LYS 45 3HE LYS 45 -31.850 20.295 -10.616 190 1HZ LYS 45 1HZ LYS 45 -32.576 20.712 -13.447 191 2HZ LYS 45 2HZ LYS 45 -32.370 22.026 -12.402 192 3HZ LYS 45 3HZ LYS 45 -33.549 20.859 -12.071 193 H LEU 46 H LEU 46 -27.475 16.288 -11.460 194 HA LEU 46 HA LEU 46 -25.083 16.672 -10.133 195 1HB LEU 46 2HB LEU 46 -26.127 15.037 -9.034 196 2HB LEU 46 3HB LEU 46 -26.991 14.506 -10.475 197 HG LEU 46 HG LEU 46 -24.964 13.228 -11.147 198 1HD1 LEU 46 1HD1 LEU 46 -23.913 14.553 -8.746 199 2HD1 LEU 46 2HD1 LEU 46 -23.072 13.939 -10.169 200 3HD1 LEU 46 3HD1 LEU 46 -23.542 12.833 -8.878 201 1HD2 LEU 46 1HD2 LEU 46 -25.178 11.618 -9.069 202 2HD2 LEU 46 2HD2 LEU 46 -26.503 11.820 -10.215 203 3HD2 LEU 46 3HD2 LEU 46 -26.527 12.683 -8.676 204 H GLN 47 H GLN 47 -25.682 14.650 -12.998 205 HA GLN 47 HA GLN 47 -23.029 13.762 -13.306 206 1HB GLN 47 2HB GLN 47 -24.960 12.684 -14.393 207 2HB GLN 47 3HB GLN 47 -25.167 14.099 -15.417 208 1HG GLN 47 2HG GLN 47 -22.613 13.535 -15.972 209 2HG GLN 47 3HG GLN 47 -23.188 11.918 -15.568 210 1HE2 GLN 47 1HE2 GLN 47 -24.154 10.796 -17.108 211 2HE2 GLN 47 2HE2 GLN 47 -24.764 11.434 -18.593 212 H ALA 48 H ALA 48 -24.790 16.431 -14.863 213 HA ALA 48 HA ALA 48 -22.730 17.343 -16.507 214 1HB ALA 48 1HB ALA 48 -25.161 18.039 -16.535 215 2HB ALA 48 2HB ALA 48 -24.765 19.137 -15.211 216 3HB ALA 48 3HB ALA 48 -23.980 19.327 -16.778 217 H LEU 49 H LEU 49 -23.326 17.850 -13.100 218 HA LEU 49 HA LEU 49 -21.493 20.009 -12.775 219 1HB LEU 49 2HB LEU 49 -23.335 18.561 -11.164 220 2HB LEU 49 3HB LEU 49 -21.771 18.556 -10.352 221 HG LEU 49 HG LEU 49 -23.015 20.397 -9.508 222 1HD1 LEU 49 1HD1 LEU 49 -20.538 20.658 -10.593 223 2HD1 LEU 49 2HD1 LEU 49 -21.344 21.886 -9.618 224 3HD1 LEU 49 3HD1 LEU 49 -21.405 21.978 -11.378 225 1HD2 LEU 49 1HD2 LEU 49 -24.062 20.506 -12.152 226 2HD2 LEU 49 2HD2 LEU 49 -23.372 22.080 -11.757 227 3HD2 LEU 49 3HD2 LEU 49 -24.603 21.369 -10.712 228 H LEU 50 H LEU 50 -21.308 16.532 -12.027 229 HA LEU 50 HA LEU 50 -18.717 16.466 -11.037 230 1HB LEU 50 2HB LEU 50 -20.201 14.390 -12.640 231 2HB LEU 50 3HB LEU 50 -18.697 14.091 -11.771 232 HG LEU 50 HG LEU 50 -21.335 14.862 -10.525 233 1HD1 LEU 50 1HD1 LEU 50 -19.862 12.248 -10.320 234 2HD1 LEU 50 2HD1 LEU 50 -21.148 12.544 -11.490 235 3HD1 LEU 50 3HD1 LEU 50 -21.492 12.627 -9.762 236 1HD2 LEU 50 1HD2 LEU 50 -18.630 14.275 -9.339 237 2HD2 LEU 50 2HD2 LEU 50 -20.127 14.265 -8.407 238 3HD2 LEU 50 3HD2 LEU 50 -19.582 15.752 -9.185 239 H TYR 51 H TYR 51 -19.848 16.739 -14.313 240 HA TYR 51 HA TYR 51 -17.387 16.021 -15.569 241 1HB TYR 51 2HB TYR 51 -19.706 15.993 -16.626 242 2HB TYR 51 3HB TYR 51 -19.556 17.741 -16.769 243 HD1 TYR 51 HD1 TYR 51 -19.094 14.718 -18.445 244 HD2 TYR 51 HD2 TYR 51 -17.267 18.522 -17.906 245 HE1 TYR 51 HE1 TYR 51 -17.888 14.433 -20.570 246 HE2 TYR 51 HE2 TYR 51 -16.057 18.249 -20.030 247 HH TYR 51 HH TYR 51 -15.385 15.730 -21.452 248 H ALA 52 H ALA 52 -18.974 19.119 -14.850 249 HA ALA 52 HA ALA 52 -17.160 20.862 -15.975 250 1HB ALA 52 1HB ALA 52 -18.654 22.270 -15.137 251 2HB ALA 52 2HB ALA 52 -19.283 21.020 -14.063 252 3HB ALA 52 3HB ALA 52 -17.939 22.036 -13.542 253 H LEU 53 H LEU 53 -17.122 19.638 -12.624 254 HA LEU 53 HA LEU 53 -14.695 20.854 -11.896 255 1HB LEU 53 2HB LEU 53 -15.824 18.292 -10.788 256 2HB LEU 53 3HB LEU 53 -14.706 19.396 -9.990 257 HG LEU 53 HG LEU 53 -17.555 20.080 -10.708 258 1HD1 LEU 53 1HD1 LEU 53 -16.336 18.923 -8.235 259 2HD1 LEU 53 2HD1 LEU 53 -17.826 18.475 -9.063 260 3HD1 LEU 53 3HD1 LEU 53 -17.751 19.971 -8.132 261 1HD2 LEU 53 1HD2 LEU 53 -16.062 21.533 -8.622 262 2HD2 LEU 53 2HD2 LEU 53 -17.202 22.128 -9.828 263 3HD2 LEU 53 3HD2 LEU 53 -15.529 21.798 -10.282 264 H ALA 54 H ALA 54 -15.412 17.630 -13.178 265 HA ALA 54 HA ALA 54 -12.867 16.517 -12.996 266 1HB ALA 54 1HB ALA 54 -14.794 15.172 -13.539 267 2HB ALA 54 2HB ALA 54 -15.007 16.033 -15.064 268 3HB ALA 54 3HB ALA 54 -13.590 15.013 -14.818 269 H SER 55 H SER 55 -14.343 18.179 -15.786 270 HA SER 55 HA SER 55 -12.129 18.095 -17.471 271 1HB SER 55 2HB SER 55 -14.089 18.758 -18.535 272 2HB SER 55 3HB SER 55 -14.509 19.909 -17.267 273 HG SER 55 HG SER 55 -13.625 20.708 -19.392 274 H SER 56 H SER 56 -12.869 20.218 -14.804 275 HA SER 56 HA SER 56 -11.104 22.316 -15.342 276 1HB SER 56 2HB SER 56 -12.888 21.824 -13.373 277 2HB SER 56 3HB SER 56 -11.388 21.498 -12.506 278 HG SER 56 HG SER 56 -11.344 23.591 -12.293 279 H GLN 57 H GLN 57 -10.499 19.077 -14.370 280 HA GLN 57 HA GLN 57 -7.691 19.746 -13.787 281 1HB GLN 57 2HB GLN 57 -9.364 17.398 -12.889 282 2HB GLN 57 3HB GLN 57 -7.626 17.508 -12.646 283 1HG GLN 57 2HG GLN 57 -9.366 19.718 -11.672 284 2HG GLN 57 3HG GLN 57 -9.295 18.209 -10.763 285 1HE2 GLN 57 1HE2 GLN 57 -6.749 17.448 -10.906 286 2HE2 GLN 57 2HE2 GLN 57 -5.700 18.628 -10.204 287 HN2 GLY 58 H GLY 58 -9.313 16.736 -14.771 288 1HA GLY 58 2HA GLY 58 -7.408 16.588 -17.027 289 2HA GLY 58 3HA GLY 58 -7.928 15.183 -16.109 290 H ASP 59 H ASP 59 -8.209 14.882 -18.689 291 HA ASP 59 HA ASP 59 -10.748 15.846 -19.659 292 1HB ASP 59 2HB ASP 59 -8.428 14.882 -20.853 293 2HB ASP 59 3HB ASP 59 -9.614 13.612 -21.141 294 H ILE 60 H ILE 60 -12.622 14.676 -19.953 295 HA ILE 60 HA ILE 60 -12.783 12.176 -18.411 296 HB ILE 60 HB ILE 60 -15.021 14.050 -19.188 297 1HG1 ILE 60 2HG1 ILE 60 -14.894 14.118 -16.474 298 2HG1 ILE 60 3HG1 ILE 60 -13.189 13.937 -16.872 299 1HG2 ILE 60 1HG2 ILE 60 -15.023 11.348 -18.280 300 2HG2 ILE 60 2HG2 ILE 60 -15.706 12.375 -17.020 301 3HG2 ILE 60 3HG2 ILE 60 -16.394 12.395 -18.644 302 1HD1 ILE 60 1HD1 ILE 60 -13.128 16.129 -17.155 303 2HD1 ILE 60 2HD1 ILE 60 -14.119 15.906 -18.598 304 3HD1 ILE 60 3HD1 ILE 60 -14.883 16.254 -17.047 305 H LEU 61 H LEU 61 -13.427 10.321 -19.347 306 HA LEU 61 HA LEU 61 -13.973 10.394 -22.228 307 1HB LEU 61 2HB LEU 61 -13.406 7.907 -20.663 308 2HB LEU 61 3HB LEU 61 -13.146 8.223 -22.377 309 HG LEU 61 HG LEU 61 -11.499 9.227 -20.061 310 1HD1 LEU 61 1HD1 LEU 61 -9.988 7.654 -20.590 311 2HD1 LEU 61 2HD1 LEU 61 -10.275 7.811 -22.323 312 3HD1 LEU 61 3HD1 LEU 61 -11.365 6.840 -21.334 313 1HD2 LEU 61 1HD2 LEU 61 -11.349 11.048 -21.437 314 2HD2 LEU 61 2HD2 LEU 61 -11.659 10.111 -22.899 315 3HD2 LEU 61 3HD2 LEU 61 -10.076 10.039 -22.123 316 H ASP 62 H ASP 62 -15.390 9.633 -19.176 317 HA ASP 62 HA ASP 62 -17.998 9.509 -20.164 318 1HB ASP 62 2HB ASP 62 -17.582 7.415 -21.172 319 2HB ASP 62 3HB ASP 62 -16.650 6.842 -19.791 320 H ILE 63 H ILE 63 -19.207 10.130 -18.506 321 HA ILE 63 HA ILE 63 -18.240 9.598 -15.785 322 HB ILE 63 HB ILE 63 -20.259 11.639 -16.724 323 1HG1 ILE 63 2HG1 ILE 63 -17.374 11.942 -15.864 324 2HG1 ILE 63 3HG1 ILE 63 -18.004 12.175 -17.491 325 1HG2 ILE 63 1HG2 ILE 63 -19.819 10.551 -14.166 326 2HG2 ILE 63 2HG2 ILE 63 -19.127 12.172 -14.153 327 3HG2 ILE 63 3HG2 ILE 63 -20.817 11.940 -14.597 328 1HD1 ILE 63 1HD1 ILE 63 -18.475 13.870 -15.062 329 2HD1 ILE 63 2HD1 ILE 63 -17.701 14.320 -16.582 330 3HD1 ILE 63 3HD1 ILE 63 -19.437 14.014 -16.532 331 H VAL 64 H VAL 64 -19.136 7.864 -14.884 332 HA VAL 64 HA VAL 64 -21.885 7.128 -15.562 333 HB VAL 64 HB VAL 64 -19.804 5.610 -13.982 334 1HG1 VAL 64 1HG1 VAL 64 -21.371 3.693 -14.299 335 2HG1 VAL 64 2HG1 VAL 64 -21.982 4.960 -13.234 336 3HG1 VAL 64 3HG1 VAL 64 -22.571 4.840 -14.892 337 1HG2 VAL 64 1HG2 VAL 64 -20.772 5.329 -16.823 338 2HG2 VAL 64 2HG2 VAL 64 -19.148 5.759 -16.285 339 3HG2 VAL 64 3HG2 VAL 64 -19.773 4.137 -15.991 340 H VAL 65 H VAL 65 -23.515 6.935 -14.052 341 HA VAL 65 HA VAL 65 -22.939 7.735 -11.293 342 HB VAL 65 HB VAL 65 -25.207 8.948 -12.873 343 1HG1 VAL 65 1HG1 VAL 65 -25.981 9.656 -10.917 344 2HG1 VAL 65 2HG1 VAL 65 -24.732 8.708 -10.108 345 3HG1 VAL 65 3HG1 VAL 65 -24.427 10.393 -10.531 346 1HG2 VAL 65 1HG2 VAL 65 -23.836 11.070 -12.615 347 2HG2 VAL 65 2HG2 VAL 65 -22.471 10.020 -12.230 348 3HG2 VAL 65 3HG2 VAL 65 -23.260 9.900 -13.803 349 H ASP 66 H ASP 66 -24.075 6.631 -9.805 350 HA ASP 66 HA ASP 66 -25.532 4.340 -10.528 351 1HB ASP 66 2HB ASP 66 -24.378 5.248 -8.222 352 2HB ASP 66 3HB ASP 66 -26.090 5.418 -7.847 353 H LEU 67 H LEU 67 -27.741 4.311 -8.826 354 HA LEU 67 HA LEU 67 -29.610 5.896 -10.405 355 1HB LEU 67 2HB LEU 67 -31.316 4.495 -9.151 356 2HB LEU 67 3HB LEU 67 -30.261 3.656 -10.287 357 HG LEU 67 HG LEU 67 -30.774 2.567 -8.002 358 1HD1 LEU 67 1HD1 LEU 67 -28.438 2.609 -9.680 359 2HD1 LEU 67 2HD1 LEU 67 -29.189 1.257 -8.834 360 3HD1 LEU 67 3HD1 LEU 67 -27.999 2.261 -8.007 361 1HD2 LEU 67 1HD2 LEU 67 -28.568 4.445 -7.167 362 2HD2 LEU 67 2HD2 LEU 67 -29.342 3.203 -6.183 363 3HD2 LEU 67 3HD2 LEU 67 -30.260 4.619 -6.699 364 H SER 68 H SER 68 -27.851 6.841 -8.066 365 HA SER 68 HA SER 68 -28.002 8.230 -6.263 366 1HB SER 68 2HB SER 68 -30.666 9.173 -7.264 367 2HB SER 68 3HB SER 68 -29.331 10.109 -6.593 368 HG SER 68 HG SER 68 -28.294 10.028 -8.498 369 H ASP 69 H ASP 69 -28.520 5.968 -5.243 370 HA ASP 69 HA ASP 69 -31.177 5.629 -4.219 371 1HB ASP 69 2HB ASP 69 -28.750 4.097 -4.314 372 2HB ASP 69 3HB ASP 69 -29.354 4.128 -2.659 373 H ASP 70 H ASP 70 -31.912 5.939 -2.123 374 HA ASP 70 HA ASP 70 -30.764 8.153 -0.731 375 1HB ASP 70 2HB ASP 70 -33.270 7.326 -0.922 376 2HB ASP 70 3HB ASP 70 -32.848 6.424 0.531 377 H ASN 71 H ASN 71 -30.035 4.903 -0.745 378 HA ASN 71 HA ASN 71 -28.886 5.056 1.965 379 1HB ASN 71 2HB ASN 71 -30.684 3.164 0.984 380 2HB ASN 71 3HB ASN 71 -29.122 2.352 0.927 381 1HD2 ASN 71 1HD2 ASN 71 -31.737 3.118 2.831 382 2HD2 ASN 71 2HD2 ASN 71 -31.054 2.771 4.379 383 H SER 72 H SER 72 -28.224 4.951 -1.311 384 HA SER 72 HA SER 72 -25.500 3.940 -0.813 385 1HB SER 72 2HB SER 72 -27.426 3.189 -2.814 386 2HB SER 72 3HB SER 72 -26.003 3.880 -3.593 387 HG SER 72 HG SER 72 -26.098 1.705 -1.775 388 HN2 GLY 73 H GLY 73 -27.031 5.792 -3.443 389 1HA GLY 73 2HA GLY 73 -26.359 7.715 -4.507 390 2HA GLY 73 3HA GLY 73 -26.020 8.300 -2.885 391 H LYS 74 H LYS 74 -24.675 6.828 -5.750 392 HA LYS 74 HA LYS 74 -22.055 7.855 -5.027 393 1HB LYS 74 2HB LYS 74 -20.895 5.762 -5.363 394 2HB LYS 74 3HB LYS 74 -22.107 5.551 -4.107 395 1HG LYS 74 2HG LYS 74 -23.402 4.877 -6.480 396 2HG LYS 74 3HG LYS 74 -21.793 4.162 -6.607 397 1HD LYS 74 2HD LYS 74 -22.529 3.603 -4.010 398 2HD LYS 74 3HD LYS 74 -24.041 3.424 -4.904 399 1HE LYS 74 2HE LYS 74 -22.903 1.910 -6.476 400 2HE LYS 74 3HE LYS 74 -21.422 2.063 -5.532 401 1HZ LYS 74 1HZ LYS 74 -22.204 0.722 -3.917 402 2HZ LYS 74 2HZ LYS 74 -23.178 0.119 -5.161 403 3HZ LYS 74 3HZ LYS 74 -23.803 1.252 -4.072 404 H ALA 75 H ALA 75 -20.464 7.251 -6.919 405 HA ALA 75 HA ALA 75 -21.613 6.890 -9.506 406 1HB ALA 75 1HB ALA 75 -20.995 9.662 -8.568 407 2HB ALA 75 2HB ALA 75 -20.820 9.234 -10.271 408 3HB ALA 75 3HB ALA 75 -22.386 9.071 -9.477 409 H TYR 76 H TYR 76 -19.887 7.558 -11.240 410 HA TYR 76 HA TYR 76 -17.163 7.254 -10.241 411 1HB TYR 76 2HB TYR 76 -17.990 5.454 -12.480 412 2HB TYR 76 3HB TYR 76 -16.676 5.268 -11.325 413 HD1 TYR 76 HD1 TYR 76 -17.023 4.184 -9.215 414 HD2 TYR 76 HD2 TYR 76 -20.302 4.884 -11.835 415 HE1 TYR 76 HE1 TYR 76 -18.415 2.669 -7.867 416 HE2 TYR 76 HE2 TYR 76 -21.704 3.372 -10.493 417 HH TYR 76 HH TYR 76 -21.207 1.342 -8.889 418 H ILE 77 H ILE 77 -15.810 8.528 -11.321 419 HA ILE 77 HA ILE 77 -16.698 9.618 -13.906 420 HB ILE 77 HB ILE 77 -14.622 10.808 -12.070 421 1HG1 ILE 77 2HG1 ILE 77 -17.562 11.481 -12.320 422 2HG1 ILE 77 3HG1 ILE 77 -16.784 10.748 -10.922 423 1HG2 ILE 77 1HG2 ILE 77 -16.100 12.536 -13.903 424 2HG2 ILE 77 2HG2 ILE 77 -14.368 12.433 -13.587 425 3HG2 ILE 77 3HG2 ILE 77 -15.128 11.307 -14.712 426 1HD1 ILE 77 1HD1 ILE 77 -16.839 12.895 -10.218 427 2HD1 ILE 77 2HD1 ILE 77 -15.305 12.944 -11.087 428 3HD1 ILE 77 3HD1 ILE 77 -16.772 13.553 -11.852 429 H VAL 78 H VAL 78 -15.761 8.645 -15.574 430 HA VAL 78 HA VAL 78 -13.158 7.395 -15.312 431 HB VAL 78 HB VAL 78 -14.823 7.616 -17.818 432 1HG1 VAL 78 1HG1 VAL 78 -13.248 6.375 -18.776 433 2HG1 VAL 78 2HG1 VAL 78 -12.263 6.599 -17.329 434 3HG1 VAL 78 3HG1 VAL 78 -13.315 5.190 -17.472 435 1HG2 VAL 78 1HG2 VAL 78 -14.917 5.465 -15.704 436 2HG2 VAL 78 2HG2 VAL 78 -16.181 6.652 -16.025 437 3HG2 VAL 78 3HG2 VAL 78 -15.777 5.443 -17.244 438 H PHE 79 H PHE 79 -11.290 8.309 -15.845 439 HA PHE 79 HA PHE 79 -11.352 10.789 -17.428 440 1HB PHE 79 2HB PHE 79 -9.491 9.816 -15.272 441 2HB PHE 79 3HB PHE 79 -9.023 11.107 -16.373 442 HD1 PHE 79 HD1 PHE 79 -10.147 13.266 -16.309 443 HD2 PHE 79 HD2 PHE 79 -11.140 10.167 -13.566 444 HE1 PHE 79 HE1 PHE 79 -11.303 14.904 -14.882 445 HE2 PHE 79 HE2 PHE 79 -12.298 11.799 -12.136 446 HZ PHE 79 HZ PHE 79 -12.382 14.171 -12.793 447 H ALA 80 H ALA 80 -9.026 11.143 -18.454 448 HA ALA 80 HA ALA 80 -8.788 9.251 -20.528 449 1HB ALA 80 1HB ALA 80 -7.643 11.796 -19.854 450 2HB ALA 80 2HB ALA 80 -6.392 10.700 -20.442 451 3HB ALA 80 3HB ALA 80 -7.813 11.028 -21.433 452 H THR 81 H THR 81 -6.834 9.840 -17.630 453 HA THR 81 HA THR 81 -5.956 7.103 -17.597 454 HB THR 81 HB THR 81 -3.613 8.894 -17.532 455 HG1 THR 81 HG1 THR 81 -4.735 8.189 -20.049 456 1HG2 THR 81 1HG2 THR 81 -3.998 6.209 -17.559 457 2HG2 THR 81 2HG2 THR 81 -2.503 6.999 -18.060 458 3HG2 THR 81 3HG2 THR 81 -3.694 6.517 -19.268 459 H GLN 82 H GLN 82 -4.542 6.659 -15.698 460 HA GLN 82 HA GLN 82 -5.630 7.603 -13.345 461 1HB GLN 82 2HB GLN 82 -3.910 5.629 -13.934 462 2HB GLN 82 3HB GLN 82 -2.776 6.790 -13.256 463 1HG GLN 82 2HG GLN 82 -5.122 6.542 -11.598 464 2HG GLN 82 3HG GLN 82 -4.360 4.975 -11.871 465 1HE2 GLN 82 1HE2 GLN 82 -2.158 4.709 -11.271 466 2HE2 GLN 82 2HE2 GLN 82 -1.455 5.701 -10.044 467 H GLU 83 H GLU 83 -3.028 8.929 -15.256 468 HA GLU 83 HA GLU 83 -1.802 10.600 -13.409 469 1HB GLU 83 2HB GLU 83 -2.088 10.549 -16.350 470 2HB GLU 83 3HB GLU 83 -1.673 12.110 -15.654 471 1HG GLU 83 2HG GLU 83 -0.153 9.600 -15.023 472 2HG GLU 83 3HG GLU 83 0.248 10.645 -16.385 473 H SER 84 H SER 84 -4.512 11.372 -15.591 474 HA SER 84 HA SER 84 -4.945 13.946 -14.435 475 1HB SER 84 2HB SER 84 -6.102 12.339 -16.591 476 2HB SER 84 3HB SER 84 -7.300 13.302 -15.726 477 HG SER 84 HG SER 84 -5.716 15.085 -16.044 478 H ALA 85 H ALA 85 -6.551 10.800 -14.147 479 HA ALA 85 HA ALA 85 -8.698 11.502 -12.552 480 1HB ALA 85 1HB ALA 85 -7.549 8.983 -11.709 481 2HB ALA 85 2HB ALA 85 -9.072 9.308 -12.538 482 3HB ALA 85 3HB ALA 85 -7.583 9.134 -13.466 483 H GLN 86 H GLN 86 -5.491 10.389 -11.456 484 HA GLN 86 HA GLN 86 -5.942 10.673 -8.719 485 1HB GLN 86 2HB GLN 86 -4.030 9.451 -9.469 486 2HB GLN 86 3HB GLN 86 -3.404 10.844 -10.340 487 1HG GLN 86 2HG GLN 86 -2.877 11.973 -8.311 488 2HG GLN 86 3HG GLN 86 -3.721 10.758 -7.352 489 1HE2 GLN 86 1HE2 GLN 86 -0.946 11.674 -7.228 490 2HE2 GLN 86 2HE2 GLN 86 0.029 10.264 -7.441 491 H ALA 87 H ALA 87 -4.852 13.010 -11.120 492 HA ALA 87 HA ALA 87 -4.097 15.077 -9.389 493 1HB ALA 87 1HB ALA 87 -4.304 16.549 -11.286 494 2HB ALA 87 2HB ALA 87 -3.609 15.015 -11.813 495 3HB ALA 87 3HB ALA 87 -5.306 15.371 -12.135 496 H PHE 88 H PHE 88 -7.231 14.420 -10.939 497 HA PHE 88 HA PHE 88 -8.558 16.639 -9.773 498 1HB PHE 88 2HB PHE 88 -9.510 15.706 -11.747 499 2HB PHE 88 3HB PHE 88 -9.561 14.093 -11.043 500 HD1 PHE 88 HD1 PHE 88 -11.271 13.496 -9.420 501 HD2 PHE 88 HD2 PHE 88 -11.191 17.343 -11.240 502 HE1 PHE 88 HE1 PHE 88 -13.581 13.894 -8.672 503 HE2 PHE 88 HE2 PHE 88 -13.500 17.748 -10.494 504 HZ PHE 88 HZ PHE 88 -14.698 16.023 -9.208 505 H VAL 89 H VAL 89 -8.147 13.275 -8.823 506 HA VAL 89 HA VAL 89 -10.008 13.255 -6.703 507 HB VAL 89 HB VAL 89 -7.503 11.604 -7.062 508 1HG1 VAL 89 1HG1 VAL 89 -9.222 10.083 -5.598 509 2HG1 VAL 89 2HG1 VAL 89 -7.893 11.030 -4.926 510 3HG1 VAL 89 3HG1 VAL 89 -9.528 11.692 -4.944 511 1HG2 VAL 89 1HG2 VAL 89 -10.066 10.299 -7.469 512 2HG2 VAL 89 2HG2 VAL 89 -9.806 11.636 -8.589 513 3HG2 VAL 89 3HG2 VAL 89 -8.634 10.322 -8.498 514 H GLU 90 H GLU 90 -6.568 14.058 -6.843 515 HA GLU 90 HA GLU 90 -6.414 14.527 -3.998 516 1HB GLU 90 2HB GLU 90 -4.116 14.981 -4.337 517 2HB GLU 90 3HB GLU 90 -4.511 13.664 -5.433 518 1HG GLU 90 2HG GLU 90 -4.654 15.231 -7.288 519 2HG GLU 90 3HG GLU 90 -4.296 16.568 -6.196 520 H ALA 91 H ALA 91 -7.008 16.367 -6.875 521 HA ALA 91 HA ALA 91 -6.446 18.934 -5.733 522 1HB ALA 91 1HB ALA 91 -7.682 19.767 -7.772 523 2HB ALA 91 2HB ALA 91 -6.260 18.771 -8.085 524 3HB ALA 91 3HB ALA 91 -7.874 18.077 -8.237 525 H PHE 92 H PHE 92 -9.096 16.761 -5.637 526 HA PHE 92 HA PHE 92 -10.747 18.843 -4.367 527 1HB PHE 92 2HB PHE 92 -11.589 16.661 -6.270 528 2HB PHE 92 3HB PHE 92 -12.735 17.472 -5.207 529 HD1 PHE 92 HD1 PHE 92 -10.074 18.298 -7.686 530 HD2 PHE 92 HD2 PHE 92 -13.860 19.300 -6.020 531 HE1 PHE 92 HE1 PHE 92 -10.320 20.104 -9.339 532 HE2 PHE 92 HE2 PHE 92 -14.113 21.106 -7.671 533 HZ PHE 92 HZ PHE 92 -12.342 21.510 -9.334 534 H GLN 93 H GLN 93 -8.920 16.329 -3.681 535 HA GLN 93 HA GLN 93 -10.353 14.407 -2.353 536 1HB GLN 93 2HB GLN 93 -8.017 14.114 -2.495 537 2HB GLN 93 3HB GLN 93 -7.692 15.664 -1.731 538 1HG GLN 93 2HG GLN 93 -8.505 14.814 0.392 539 2HG GLN 93 3HG GLN 93 -8.897 13.270 -0.363 540 1HE2 GLN 93 1HE2 GLN 93 -7.283 11.820 -0.802 541 2HE2 GLN 93 2HE2 GLN 93 -5.660 12.013 -0.243 542 HN2 GLY 94 H GLY 94 -9.676 17.693 -1.333 543 1HA GLY 94 2HA GLY 94 -11.499 17.270 0.946 544 2HA GLY 94 3HA GLY 94 -9.979 18.124 1.169 545 H TYR 95 H TYR 95 -12.716 18.230 -1.119 546 HA TYR 95 HA TYR 95 -12.827 21.140 -0.676 547 1HB TYR 95 2HB TYR 95 -11.838 20.753 -2.857 548 2HB TYR 95 3HB TYR 95 -13.147 19.659 -3.294 549 HD1 TYR 95 HD1 TYR 95 -12.077 23.111 -3.071 550 HD2 TYR 95 HD2 TYR 95 -15.434 20.568 -3.674 551 HE1 TYR 95 HE1 TYR 95 -13.335 25.005 -4.009 552 HE2 TYR 95 HE2 TYR 95 -16.702 22.454 -4.614 553 HH TYR 95 HH TYR 95 -16.616 24.578 -5.285 554 HA PRO 96 HA PRO 96 -17.050 20.380 0.361 555 1HB PRO 96 2HB PRO 96 -17.941 22.939 0.200 556 2HB PRO 96 3HB PRO 96 -16.946 22.351 1.537 557 1HG PRO 96 2HG PRO 96 -16.132 23.907 -0.887 558 2HG PRO 96 3HG PRO 96 -15.629 24.120 0.800 559 1HD PRO 96 2HD PRO 96 -14.089 22.850 -1.030 560 2HD PRO 96 3HD PRO 96 -14.091 22.407 0.690 561 H PHE 97 H PHE 97 -18.010 19.240 -1.269 562 HA PHE 97 HA PHE 97 -19.167 20.828 -3.457 563 1HB PHE 97 2HB PHE 97 -17.324 19.584 -4.418 564 2HB PHE 97 3HB PHE 97 -17.897 18.093 -3.679 565 HD1 PHE 97 HD1 PHE 97 -18.813 16.620 -5.165 566 HD2 PHE 97 HD2 PHE 97 -19.387 20.790 -5.791 567 HE1 PHE 97 HE1 PHE 97 -20.139 16.131 -7.179 568 HE2 PHE 97 HE2 PHE 97 -20.715 20.308 -7.806 569 HZ PHE 97 HZ PHE 97 -21.092 17.977 -8.502 570 H GLN 98 H GLN 98 -21.203 20.168 -4.193 571 HA GLN 98 HA GLN 98 -23.346 19.457 -3.895 572 1HB GLN 98 2HB GLN 98 -21.707 17.008 -3.363 573 2HB GLN 98 3HB GLN 98 -23.451 16.949 -3.142 574 1HG GLN 98 2HG GLN 98 -22.240 17.945 -5.692 575 2HG GLN 98 3HG GLN 98 -22.479 16.224 -5.396 576 1HE2 GLN 98 1HE2 GLN 98 -23.711 18.249 -7.271 577 2HE2 GLN 98 2HE2 GLN 98 -25.412 18.028 -7.071 578 HN2 GLY 99 H GLY 99 -21.983 20.742 -1.625 579 1HA GLY 99 2HA GLY 99 -23.585 21.220 0.285 580 2HA GLY 99 3HA GLY 99 -23.456 19.498 0.611 581 H ASN 100 H ASN 100 -20.986 18.804 0.665 582 HA ASN 100 HA ASN 100 -19.023 20.560 1.557 583 1HB ASN 100 2HB ASN 100 -19.967 21.153 3.548 584 2HB ASN 100 3HB ASN 100 -20.948 19.693 3.639 585 1HD2 ASN 100 1HD2 ASN 100 -17.482 20.467 3.543 586 2HD2 ASN 100 2HD2 ASN 100 -17.052 19.469 4.886 587 HA PRO 101 HA PRO 101 -17.799 16.077 2.870 588 1HB PRO 101 2HB PRO 101 -19.718 14.162 2.718 589 2HB PRO 101 3HB PRO 101 -19.442 15.133 4.170 590 1HG PRO 101 2HG PRO 101 -21.510 15.470 2.031 591 2HG PRO 101 3HG PRO 101 -21.688 15.601 3.791 592 1HD PRO 101 2HD PRO 101 -21.468 17.769 2.183 593 2HD PRO 101 3HD PRO 101 -20.840 17.743 3.844 594 H LEU 102 H LEU 102 -16.585 15.928 1.034 595 HA LEU 102 HA LEU 102 -17.814 14.516 -1.236 596 1HB LEU 102 2HB LEU 102 -17.577 16.740 -1.994 597 2HB LEU 102 3HB LEU 102 -15.973 16.890 -1.278 598 HG LEU 102 HG LEU 102 -15.180 15.198 -2.966 599 1HD1 LEU 102 1HD1 LEU 102 -18.022 15.407 -3.731 600 2HD1 LEU 102 2HD1 LEU 102 -16.894 14.062 -3.896 601 3HD1 LEU 102 3HD1 LEU 102 -16.852 15.394 -5.051 602 1HD2 LEU 102 1HD2 LEU 102 -15.843 17.984 -3.312 603 2HD2 LEU 102 2HD2 LEU 102 -15.870 17.128 -4.854 604 3HD2 LEU 102 3HD2 LEU 102 -14.420 17.091 -3.848 605 H VAL 103 H VAL 103 -16.870 12.624 -1.565 606 HA VAL 103 HA VAL 103 -14.044 12.303 -0.785 607 HB VAL 103 HB VAL 103 -15.669 10.954 0.549 608 1HG1 VAL 103 1HG1 VAL 103 -16.922 10.519 -1.835 609 2HG1 VAL 103 2HG1 VAL 103 -16.066 8.995 -1.590 610 3HG1 VAL 103 3HG1 VAL 103 -17.190 9.584 -0.364 611 1HG2 VAL 103 1HG2 VAL 103 -14.190 9.244 0.759 612 2HG2 VAL 103 2HG2 VAL 103 -14.109 8.952 -0.979 613 3HG2 VAL 103 3HG2 VAL 103 -13.213 10.294 -0.268 614 H ILE 104 H ILE 104 -12.624 11.528 -2.250 615 HA ILE 104 HA ILE 104 -13.660 10.477 -4.789 616 HB ILE 104 HB ILE 104 -11.524 11.794 -5.725 617 1HG1 ILE 104 2HG1 ILE 104 -11.349 12.764 -3.290 618 2HG1 ILE 104 3HG1 ILE 104 -11.059 13.805 -4.679 619 1HG2 ILE 104 1HG2 ILE 104 -14.343 12.780 -5.381 620 2HG2 ILE 104 2HG2 ILE 104 -13.153 13.624 -6.371 621 3HG2 ILE 104 3HG2 ILE 104 -13.628 11.975 -6.777 622 1HD1 ILE 104 1HD1 ILE 104 -12.996 14.975 -4.376 623 2HD1 ILE 104 2HD1 ILE 104 -13.811 13.634 -3.571 624 3HD1 ILE 104 3HD1 ILE 104 -12.594 14.573 -2.707 625 H THR 105 H THR 105 -12.711 8.636 -5.349 626 HA THR 105 HA THR 105 -9.926 8.142 -4.629 627 HB THR 105 HB THR 105 -10.459 5.866 -3.786 628 HG1 THR 105 HG1 THR 105 -12.698 5.551 -3.132 629 1HG2 THR 105 1HG2 THR 105 -10.123 7.856 -2.280 630 2HG2 THR 105 2HG2 THR 105 -11.064 6.540 -1.579 631 3HG2 THR 105 3HG2 THR 105 -11.878 7.985 -2.178 632 H PHE 106 H PHE 106 -9.296 5.863 -5.544 633 HA PHE 106 HA PHE 106 -10.129 5.879 -8.339 634 1HB PHE 106 2HB PHE 106 -7.928 4.244 -7.071 635 2HB PHE 106 3HB PHE 106 -8.158 4.581 -8.784 636 HD1 PHE 106 HD1 PHE 106 -7.115 5.985 -5.557 637 HD2 PHE 106 HD2 PHE 106 -7.453 6.651 -9.748 638 HE1 PHE 106 HE1 PHE 106 -5.663 7.961 -5.357 639 HE2 PHE 106 HE2 PHE 106 -6.001 8.627 -9.554 640 HZ PHE 106 HZ PHE 106 -5.103 9.284 -7.357 641 H SER 107 H SER 107 -10.223 3.656 -9.413 642 HA SER 107 HA SER 107 -11.730 1.802 -7.687 643 1HB SER 107 2HB SER 107 -12.666 3.212 -9.936 644 2HB SER 107 3HB SER 107 -12.451 1.545 -10.471 645 HG SER 107 HG SER 107 -13.804 2.216 -8.078 646 H GLU 108 H GLU 108 -12.054 -0.298 -9.378 647 HA GLU 108 HA GLU 108 -9.284 -1.198 -9.775 648 1HB GLU 108 2HB GLU 108 -10.930 -2.382 -8.161 649 2HB GLU 108 3HB GLU 108 -11.666 -3.022 -9.623 650 1HG GLU 108 2HG GLU 108 -9.449 -3.946 -10.261 651 2HG GLU 108 3HG GLU 108 -8.834 -3.425 -8.694 652 H THR 109 H THR 109 -8.718 -2.381 -11.633 653 HA THR 109 HA THR 109 -10.650 -2.387 -13.838 654 HB THR 109 HB THR 109 -8.804 -1.600 -15.380 655 HG1 THR 109 HG1 THR 109 -6.969 -1.696 -14.202 656 1HG2 THR 109 1HG2 THR 109 -10.696 -0.188 -13.998 657 2HG2 THR 109 2HG2 THR 109 -9.693 0.464 -15.294 658 3HG2 THR 109 3HG2 THR 109 -9.221 0.698 -13.611 659 HA PRO 110 HA PRO 110 -8.239 -6.350 -13.451 660 1HB PRO 110 2HB PRO 110 -10.415 -7.968 -13.577 661 2HB PRO 110 3HB PRO 110 -9.816 -7.281 -12.063 662 1HG PRO 110 2HG PRO 110 -12.076 -6.361 -13.798 663 2HG PRO 110 3HG PRO 110 -12.002 -6.489 -12.031 664 1HD PRO 110 2HD PRO 110 -11.686 -4.137 -13.336 665 2HD PRO 110 3HD PRO 110 -10.857 -4.501 -11.809 666 H GLN 111 H GLN 111 -8.841 -8.435 -14.914 667 HA GLN 111 HA GLN 111 -9.605 -7.516 -17.592 668 1HB GLN 111 2HB GLN 111 -7.116 -9.125 -16.999 669 2HB GLN 111 3HB GLN 111 -7.686 -8.652 -18.593 670 1HG GLN 111 2HG GLN 111 -6.158 -7.020 -18.286 671 2HG GLN 111 3HG GLN 111 -7.532 -6.236 -17.508 672 1HE2 GLN 111 1HE2 GLN 111 -4.801 -8.374 -16.793 673 2HE2 GLN 111 2HE2 GLN 111 -4.477 -7.723 -15.226 674 H SER 112 H SER 112 -10.854 -9.202 -15.492 675 HA SER 112 HA SER 112 -10.807 -11.873 -16.643 676 1HB SER 112 2HB SER 112 -11.279 -10.862 -14.073 677 2HB SER 112 3HB SER 112 -12.844 -11.465 -14.621 678 HG SER 112 HG SER 112 -10.460 -12.978 -14.830 679 H GLN 113 H GLN 113 -12.813 -9.031 -16.607 680 HA GLN 113 HA GLN 113 -15.238 -10.167 -17.452 681 1HB GLN 113 2HB GLN 113 -15.754 -7.866 -18.292 682 2HB GLN 113 3HB GLN 113 -15.222 -7.922 -16.617 683 1HG GLN 113 2HG GLN 113 -12.998 -7.206 -17.280 684 2HG GLN 113 3HG GLN 113 -13.495 -7.192 -18.971 685 1HE2 GLN 113 1HE2 GLN 113 -12.535 -4.935 -18.406 686 2HE2 GLN 113 2HE2 GLN 113 -13.708 -3.729 -18.015 687 H VAL 114 H VAL 114 -12.317 -9.390 -19.163 688 HA VAL 114 HA VAL 114 -13.621 -9.895 -21.743 689 HB VAL 114 HB VAL 114 -11.637 -9.002 -22.795 690 1HG1 VAL 114 1HG1 VAL 114 -13.431 -7.489 -21.782 691 2HG1 VAL 114 2HG1 VAL 114 -12.242 -7.129 -20.529 692 3HG1 VAL 114 3HG1 VAL 114 -11.891 -6.748 -22.215 693 1HG2 VAL 114 1HG2 VAL 114 -9.943 -7.929 -21.068 694 2HG2 VAL 114 2HG2 VAL 114 -10.512 -9.256 -20.055 695 3HG2 VAL 114 3HG2 VAL 114 -9.771 -9.596 -21.618 696 H ALA 115 H ALA 115 -12.903 -11.944 -19.675 697 HA ALA 115 HA ALA 115 -10.703 -13.440 -20.742 698 1HB ALA 115 1HB ALA 115 -11.092 -14.981 -19.043 699 2HB ALA 115 2HB ALA 115 -11.611 -13.451 -18.335 700 3HB ALA 115 3HB ALA 115 -12.809 -14.590 -18.949 701 H GLU 116 H GLU 116 -14.238 -13.885 -20.744 702 HA GLU 116 HA GLU 116 -14.136 -16.165 -22.461 703 1HB GLU 116 2HB GLU 116 -16.076 -14.902 -20.870 704 2HB GLU 116 3HB GLU 116 -16.685 -14.809 -22.517 705 1HG GLU 116 2HG GLU 116 -17.280 -16.935 -22.476 706 2HG GLU 116 3HG GLU 116 -15.652 -17.431 -22.018 707 H ASP 117 H ASP 117 -14.700 -12.718 -22.925 708 HA ASP 117 HA ASP 117 -14.532 -13.160 -25.833 709 1HB ASP 117 2HB ASP 117 -16.769 -12.246 -24.563 710 2HB ASP 117 3HB ASP 117 -15.956 -10.734 -24.958 Start of MODEL 12 1 H THR 22 H THR 22 10.732 -0.587 -6.698 2 HA THR 22 HA THR 22 8.306 -1.763 -7.045 3 HB THR 22 HB THR 22 8.627 0.718 -5.356 4 HG1 THR 22 HG1 THR 22 9.373 -0.794 -3.739 5 1HG2 THR 22 1HG2 THR 22 7.206 -1.359 -4.066 6 2HG2 THR 22 2HG2 THR 22 6.551 -1.216 -5.697 7 3HG2 THR 22 3HG2 THR 22 6.587 0.191 -4.635 8 HA PRO 23 HA PRO 23 7.012 1.587 -10.022 9 1HB PRO 23 2HB PRO 23 6.070 -0.115 -11.916 10 2HB PRO 23 3HB PRO 23 7.759 0.404 -11.844 11 1HG PRO 23 2HG PRO 23 6.516 -2.139 -10.868 12 2HG PRO 23 3HG PRO 23 8.039 -1.903 -11.744 13 1HD PRO 23 2HD PRO 23 7.944 -2.288 -9.066 14 2HD PRO 23 3HD PRO 23 9.183 -1.281 -9.842 15 HA PRO 24 HA PRO 24 2.983 0.947 -8.084 16 1HB PRO 24 2HB PRO 24 2.160 3.511 -8.431 17 2HB PRO 24 3HB PRO 24 3.242 3.018 -7.123 18 1HG PRO 24 2HG PRO 24 3.904 4.298 -9.747 19 2HG PRO 24 3HG PRO 24 4.548 4.654 -8.134 20 1HD PRO 24 2HD PRO 24 5.894 3.154 -9.942 21 2HD PRO 24 3HD PRO 24 6.019 2.881 -8.192 22 H HIS 25 H HIS 25 0.721 1.912 -8.866 23 HA HIS 25 HA HIS 25 -0.951 1.713 -10.397 24 1HB HIS 25 2HB HIS 25 1.204 2.724 -12.265 25 2HB HIS 25 3HB HIS 25 -0.516 2.674 -12.638 26 HD1 HIS 25 HD1 HIS 25 2.000 4.892 -11.398 27 HD2 HIS 25 HD2 HIS 25 -2.048 4.326 -10.653 28 HE1 HIS 25 HE1 HIS 25 1.211 7.022 -10.320 29 H THR 26 H THR 26 -1.142 -0.536 -10.265 30 HA THR 26 HA THR 26 0.445 -2.369 -11.700 31 HB THR 26 HB THR 26 -1.289 -4.017 -11.241 32 HG1 THR 26 HG1 THR 26 -2.868 -1.898 -10.187 33 1HG2 THR 26 1HG2 THR 26 -1.170 -2.238 -8.821 34 2HG2 THR 26 2HG2 THR 26 0.254 -3.093 -9.412 35 3HG2 THR 26 3HG2 THR 26 -1.168 -4.000 -8.897 36 H GLU 27 H GLU 27 -2.769 -1.012 -12.417 37 HA GLU 27 HA GLU 27 -2.245 -1.432 -15.264 38 1HB GLU 27 2HB GLU 27 -4.710 -2.185 -15.445 39 2HB GLU 27 3HB GLU 27 -3.513 -3.355 -14.907 40 1HG GLU 27 2HG GLU 27 -4.696 -1.866 -12.711 41 2HG GLU 27 3HG GLU 27 -5.884 -2.763 -13.655 42 HA PRO 28 HA PRO 28 -4.050 2.531 -15.794 43 1HB PRO 28 2HB PRO 28 -5.256 2.276 -18.213 44 2HB PRO 28 3HB PRO 28 -3.501 2.365 -18.019 45 1HG PRO 28 2HG PRO 28 -5.245 -0.037 -18.405 46 2HG PRO 28 3HG PRO 28 -3.682 0.342 -19.151 47 1HD PRO 28 2HD PRO 28 -3.923 -1.364 -17.063 48 2HD PRO 28 3HD PRO 28 -2.490 -0.344 -17.302 49 H SER 29 H SER 29 -6.067 3.713 -16.013 50 HA SER 29 HA SER 29 -8.564 2.286 -15.961 51 1HB SER 29 2HB SER 29 -7.436 3.510 -13.447 52 2HB SER 29 3HB SER 29 -9.172 3.300 -13.679 53 HG SER 29 HG SER 29 -7.456 1.511 -12.825 54 H GLN 30 H GLN 30 -9.362 3.570 -17.547 55 HA GLN 30 HA GLN 30 -9.087 6.439 -17.452 56 1HB GLN 30 2HB GLN 30 -10.859 4.850 -19.303 57 2HB GLN 30 3HB GLN 30 -10.209 6.464 -19.557 58 1HG GLN 30 2HG GLN 30 -7.911 5.362 -19.493 59 2HG GLN 30 3HG GLN 30 -8.776 3.835 -19.661 60 1HE2 GLN 30 1HE2 GLN 30 -7.206 4.058 -21.608 61 2HE2 GLN 30 2HE2 GLN 30 -7.926 4.672 -23.053 62 H VAL 31 H VAL 31 -10.984 4.366 -15.792 63 HA VAL 31 HA VAL 31 -13.231 6.273 -15.669 64 HB VAL 31 HB VAL 31 -14.700 4.479 -15.032 65 1HG1 VAL 31 1HG1 VAL 31 -13.107 3.451 -17.368 66 2HG1 VAL 31 2HG1 VAL 31 -14.842 3.302 -17.078 67 3HG1 VAL 31 3HG1 VAL 31 -14.143 4.875 -17.467 68 1HG2 VAL 31 1HG2 VAL 31 -13.387 3.060 -13.705 69 2HG2 VAL 31 2HG2 VAL 31 -13.782 2.094 -15.127 70 3HG2 VAL 31 3HG2 VAL 31 -12.188 2.834 -14.978 71 H VAL 32 H VAL 32 -14.079 6.796 -13.639 72 HA VAL 32 HA VAL 32 -12.501 5.924 -11.313 73 HB VAL 32 HB VAL 32 -12.486 8.154 -10.397 74 1HG1 VAL 32 1HG1 VAL 32 -11.135 9.334 -12.193 75 2HG1 VAL 32 2HG1 VAL 32 -10.584 7.725 -11.725 76 3HG1 VAL 32 3HG1 VAL 32 -11.485 7.948 -13.225 77 1HG2 VAL 32 1HG2 VAL 32 -14.188 9.488 -10.961 78 2HG2 VAL 32 2HG2 VAL 32 -13.241 9.893 -12.393 79 3HG2 VAL 32 3HG2 VAL 32 -14.470 8.630 -12.476 80 H LEU 33 H LEU 33 -13.648 5.453 -9.516 81 HA LEU 33 HA LEU 33 -16.563 5.723 -9.696 82 1HB LEU 33 2HB LEU 33 -15.225 3.502 -9.268 83 2HB LEU 33 3HB LEU 33 -15.202 4.090 -7.606 84 HG LEU 33 HG LEU 33 -17.636 3.433 -9.261 85 1HD1 LEU 33 1HD1 LEU 33 -17.982 1.769 -7.425 86 2HD1 LEU 33 2HD1 LEU 33 -16.355 2.147 -6.859 87 3HD1 LEU 33 3HD1 LEU 33 -16.591 1.449 -8.461 88 1HD2 LEU 33 1HD2 LEU 33 -18.717 3.825 -6.920 89 2HD2 LEU 33 2HD2 LEU 33 -18.412 5.192 -7.992 90 3HD2 LEU 33 3HD2 LEU 33 -17.310 4.856 -6.656 91 H ILE 34 H ILE 34 -17.621 7.101 -8.432 92 HA ILE 34 HA ILE 34 -16.223 8.185 -6.073 93 HB ILE 34 HB ILE 34 -17.458 10.278 -6.391 94 1HG1 ILE 34 2HG1 ILE 34 -19.139 8.767 -7.979 95 2HG1 ILE 34 3HG1 ILE 34 -19.163 10.521 -7.838 96 1HG2 ILE 34 1HG2 ILE 34 -15.253 10.159 -7.324 97 2HG2 ILE 34 2HG2 ILE 34 -15.858 9.352 -8.770 98 3HG2 ILE 34 3HG2 ILE 34 -16.287 11.033 -8.454 99 1HD1 ILE 34 1HD1 ILE 34 -19.155 9.678 -10.169 100 2HD1 ILE 34 2HD1 ILE 34 -17.812 10.757 -9.792 101 3HD1 ILE 34 3HD1 ILE 34 -17.547 9.016 -9.878 102 H THR 35 H THR 35 -17.404 8.517 -4.196 103 HA THR 35 HA THR 35 -20.212 7.702 -4.167 104 HB THR 35 HB THR 35 -19.969 6.114 -2.417 105 HG1 THR 35 HG1 THR 35 -18.337 6.212 -1.079 106 1HG2 THR 35 1HG2 THR 35 -18.707 4.377 -3.445 107 2HG2 THR 35 2HG2 THR 35 -17.658 5.534 -4.264 108 3HG2 THR 35 3HG2 THR 35 -19.346 5.377 -4.749 109 H ASN 36 H ASN 36 -20.829 7.779 -1.588 110 HA ASN 36 HA ASN 36 -21.271 9.142 0.179 111 1HB ASN 36 2HB ASN 36 -18.566 9.054 0.076 112 2HB ASN 36 3HB ASN 36 -18.829 10.783 -0.129 113 1HD2 ASN 36 1HD2 ASN 36 -18.427 8.350 2.073 114 2HD2 ASN 36 2HD2 ASN 36 -19.053 9.140 3.477 115 H ILE 37 H ILE 37 -22.246 9.860 -2.375 116 HA ILE 37 HA ILE 37 -22.127 12.800 -2.309 117 HB ILE 37 HB ILE 37 -23.183 12.638 -4.602 118 1HG1 ILE 37 2HG1 ILE 37 -22.241 9.771 -4.476 119 2HG1 ILE 37 3HG1 ILE 37 -23.922 10.240 -4.246 120 1HG2 ILE 37 1HG2 ILE 37 -20.825 13.152 -4.285 121 2HG2 ILE 37 2HG2 ILE 37 -20.446 11.432 -4.222 122 3HG2 ILE 37 3HG2 ILE 37 -21.057 12.146 -5.714 123 1HD1 ILE 37 1HD1 ILE 37 -23.607 11.422 -6.544 124 2HD1 ILE 37 2HD1 ILE 37 -22.258 10.298 -6.711 125 3HD1 ILE 37 3HD1 ILE 37 -23.892 9.684 -6.466 126 H ASN 38 H ASN 38 -23.923 13.985 -1.945 127 HA ASN 38 HA ASN 38 -26.185 12.743 -0.770 128 1HB ASN 38 2HB ASN 38 -25.120 15.345 -0.908 129 2HB ASN 38 3HB ASN 38 -26.734 15.449 -1.606 130 1HD2 ASN 38 1HD2 ASN 38 -25.140 13.832 1.125 131 2HD2 ASN 38 2HD2 ASN 38 -26.359 14.224 2.285 132 HA PRO 39 HA PRO 39 -28.217 11.839 -4.657 133 1HB PRO 39 2HB PRO 39 -30.312 10.525 -3.537 134 2HB PRO 39 3HB PRO 39 -28.720 9.787 -3.756 135 1HG PRO 39 2HG PRO 39 -29.919 11.013 -1.302 136 2HG PRO 39 3HG PRO 39 -28.981 9.516 -1.461 137 1HD PRO 39 2HD PRO 39 -27.892 11.830 -0.572 138 2HD PRO 39 3HD PRO 39 -26.966 10.635 -1.502 139 H GLU 40 H GLU 40 -29.161 13.860 -2.113 140 HA GLU 40 HA GLU 40 -31.805 14.473 -2.606 141 1HB GLU 40 2HB GLU 40 -29.491 15.936 -1.478 142 2HB GLU 40 3HB GLU 40 -30.850 16.923 -1.997 143 1HG GLU 40 2HG GLU 40 -32.327 15.844 -0.499 144 2HG GLU 40 3HG GLU 40 -31.155 14.573 -0.152 145 H VAL 41 H VAL 41 -28.981 15.284 -4.469 146 HA VAL 41 HA VAL 41 -30.516 17.097 -6.179 147 HB VAL 41 HB VAL 41 -28.321 17.895 -5.543 148 1HG1 VAL 41 1HG1 VAL 41 -27.292 15.352 -6.795 149 2HG1 VAL 41 2HG1 VAL 41 -26.280 16.708 -6.292 150 3HG1 VAL 41 3HG1 VAL 41 -27.207 15.805 -5.093 151 1HG2 VAL 41 1HG2 VAL 41 -29.038 18.596 -7.706 152 2HG2 VAL 41 2HG2 VAL 41 -27.324 18.195 -7.825 153 3HG2 VAL 41 3HG2 VAL 41 -28.537 17.069 -8.432 154 HA PRO 42 HA PRO 42 -31.272 13.890 -9.127 155 1HB PRO 42 2HB PRO 42 -32.017 15.479 -11.198 156 2HB PRO 42 3HB PRO 42 -33.061 15.161 -9.807 157 1HG PRO 42 2HG PRO 42 -31.326 17.536 -10.370 158 2HG PRO 42 3HG PRO 42 -32.979 17.484 -9.730 159 1HD PRO 42 2HD PRO 42 -30.814 17.842 -8.145 160 2HD PRO 42 3HD PRO 42 -32.271 16.991 -7.593 161 H LYS 43 H LYS 43 -30.288 12.938 -10.896 162 HA LYS 43 HA LYS 43 -27.611 13.326 -11.352 163 1HB LYS 43 2HB LYS 43 -28.633 11.296 -12.074 164 2HB LYS 43 3HB LYS 43 -29.734 12.153 -13.146 165 1HG LYS 43 2HG LYS 43 -26.835 12.479 -13.647 166 2HG LYS 43 3HG LYS 43 -27.554 10.910 -14.018 167 1HD LYS 43 2HD LYS 43 -29.358 12.742 -15.055 168 2HD LYS 43 3HD LYS 43 -27.779 13.439 -15.426 169 1HE LYS 43 2HE LYS 43 -27.147 11.136 -16.302 170 2HE LYS 43 3HE LYS 43 -28.864 10.746 -16.210 171 1HZ LYS 43 1HZ LYS 43 -28.506 11.470 -18.389 172 2HZ LYS 43 2HZ LYS 43 -27.537 12.770 -17.910 173 3HZ LYS 43 3HZ LYS 43 -29.203 12.806 -17.619 174 H GLU 44 H GLU 44 -30.331 14.875 -12.948 175 HA GLU 44 HA GLU 44 -29.078 16.010 -15.138 176 1HB GLU 44 2HB GLU 44 -31.576 16.165 -14.036 177 2HB GLU 44 3HB GLU 44 -30.973 17.795 -13.771 178 1HG GLU 44 2HG GLU 44 -30.675 18.173 -16.072 179 2HG GLU 44 3HG GLU 44 -30.850 16.461 -16.455 180 H LYS 45 H LYS 45 -29.425 17.381 -11.872 181 HA LYS 45 HA LYS 45 -27.711 19.613 -12.512 182 1HB LYS 45 2HB LYS 45 -29.390 18.775 -10.232 183 2HB LYS 45 3HB LYS 45 -27.956 19.702 -9.809 184 1HG LYS 45 2HG LYS 45 -28.884 21.599 -10.487 185 2HG LYS 45 3HG LYS 45 -29.360 20.895 -12.033 186 1HD LYS 45 2HD LYS 45 -31.392 21.480 -11.055 187 2HD LYS 45 3HD LYS 45 -31.244 19.759 -10.689 188 1HE LYS 45 2HE LYS 45 -31.004 20.119 -8.471 189 2HE LYS 45 3HE LYS 45 -30.076 21.599 -8.704 190 1HZ LYS 45 1HZ LYS 45 -31.913 22.863 -8.627 191 2HZ LYS 45 2HZ LYS 45 -32.590 21.542 -7.816 192 3HZ LYS 45 3HZ LYS 45 -32.866 21.750 -9.472 193 H LEU 46 H LEU 46 -27.515 16.748 -10.416 194 HA LEU 46 HA LEU 46 -25.019 17.150 -9.312 195 1HB LEU 46 2HB LEU 46 -26.171 15.349 -8.445 196 2HB LEU 46 3HB LEU 46 -26.580 14.713 -10.037 197 HG LEU 46 HG LEU 46 -23.714 14.664 -9.457 198 1HD1 LEU 46 1HD1 LEU 46 -25.055 14.190 -7.227 199 2HD1 LEU 46 2HD1 LEU 46 -23.638 13.243 -7.680 200 3HD1 LEU 46 3HD1 LEU 46 -25.256 12.605 -7.975 201 1HD2 LEU 46 1HD2 LEU 46 -23.885 13.117 -11.036 202 2HD2 LEU 46 2HD2 LEU 46 -25.640 13.296 -11.026 203 3HD2 LEU 46 3HD2 LEU 46 -24.867 12.118 -9.965 204 H GLN 47 H GLN 47 -25.703 15.202 -12.225 205 HA GLN 47 HA GLN 47 -23.115 14.664 -12.987 206 1HB GLN 47 2HB GLN 47 -25.266 13.817 -14.036 207 2HB GLN 47 3HB GLN 47 -25.311 15.321 -14.948 208 1HG GLN 47 2HG GLN 47 -22.813 14.520 -15.512 209 2HG GLN 47 3HG GLN 47 -23.589 12.955 -15.272 210 1HE2 GLN 47 1HE2 GLN 47 -22.523 14.084 -17.708 211 2HE2 GLN 47 2HE2 GLN 47 -23.834 14.162 -18.831 212 H ALA 48 H ALA 48 -25.062 17.519 -13.780 213 HA ALA 48 HA ALA 48 -23.371 18.810 -15.530 214 1HB ALA 48 1HB ALA 48 -24.568 20.643 -13.609 215 2HB ALA 48 2HB ALA 48 -24.825 20.494 -15.348 216 3HB ALA 48 3HB ALA 48 -25.707 19.450 -14.233 217 H LEU 49 H LEU 49 -23.249 18.759 -11.996 218 HA LEU 49 HA LEU 49 -21.089 20.615 -11.800 219 1HB LEU 49 2HB LEU 49 -22.814 19.188 -10.025 220 2HB LEU 49 3HB LEU 49 -21.143 18.950 -9.518 221 HG LEU 49 HG LEU 49 -22.033 20.800 -8.304 222 1HD1 LEU 49 1HD1 LEU 49 -19.705 20.963 -9.194 223 2HD1 LEU 49 2HD1 LEU 49 -20.468 22.514 -8.847 224 3HD1 LEU 49 3HD1 LEU 49 -20.339 21.949 -10.513 225 1HD2 LEU 49 1HD2 LEU 49 -23.588 22.159 -9.117 226 2HD2 LEU 49 2HD2 LEU 49 -23.525 21.262 -10.635 227 3HD2 LEU 49 3HD2 LEU 49 -22.511 22.689 -10.410 228 H LEU 50 H LEU 50 -21.325 17.076 -11.570 229 HA LEU 50 HA LEU 50 -18.667 16.505 -11.020 230 1HB LEU 50 2HB LEU 50 -20.529 14.898 -12.762 231 2HB LEU 50 3HB LEU 50 -19.090 14.300 -11.938 232 HG LEU 50 HG LEU 50 -21.756 15.036 -10.781 233 1HD1 LEU 50 1HD1 LEU 50 -21.620 12.841 -9.806 234 2HD1 LEU 50 2HD1 LEU 50 -19.971 12.639 -10.395 235 3HD1 LEU 50 3HD1 LEU 50 -21.311 12.723 -11.539 236 1HD2 LEU 50 1HD2 LEU 50 -20.351 14.449 -8.580 237 2HD2 LEU 50 2HD2 LEU 50 -20.599 16.099 -9.153 238 3HD2 LEU 50 3HD2 LEU 50 -19.093 15.255 -9.518 239 H TYR 51 H TYR 51 -20.228 17.237 -14.083 240 HA TYR 51 HA TYR 51 -17.978 16.565 -15.706 241 1HB TYR 51 2HB TYR 51 -20.300 16.615 -16.568 242 2HB TYR 51 3HB TYR 51 -20.326 18.361 -16.351 243 HD1 TYR 51 HD1 TYR 51 -18.689 19.763 -17.689 244 HD2 TYR 51 HD2 TYR 51 -19.420 15.657 -18.526 245 HE1 TYR 51 HE1 TYR 51 -17.750 20.062 -19.942 246 HE2 TYR 51 HE2 TYR 51 -18.483 15.944 -20.782 247 HH TYR 51 HH TYR 51 -18.244 18.382 -22.377 248 H ALA 52 H ALA 52 -19.308 19.616 -14.471 249 HA ALA 52 HA ALA 52 -17.557 21.392 -15.681 250 1HB ALA 52 1HB ALA 52 -18.072 22.307 -13.035 251 2HB ALA 52 2HB ALA 52 -18.807 22.833 -14.550 252 3HB ALA 52 3HB ALA 52 -19.516 21.497 -13.643 253 H LEU 53 H LEU 53 -17.226 19.833 -12.492 254 HA LEU 53 HA LEU 53 -14.666 20.911 -11.949 255 1HB LEU 53 2HB LEU 53 -15.800 18.353 -10.843 256 2HB LEU 53 3HB LEU 53 -14.581 19.394 -10.110 257 HG LEU 53 HG LEU 53 -17.460 20.187 -10.533 258 1HD1 LEU 53 1HD1 LEU 53 -16.060 19.026 -8.138 259 2HD1 LEU 53 2HD1 LEU 53 -17.491 18.413 -8.965 260 3HD1 LEU 53 3HD1 LEU 53 -17.584 19.909 -8.036 261 1HD2 LEU 53 1HD2 LEU 53 -15.183 21.716 -10.019 262 2HD2 LEU 53 2HD2 LEU 53 -15.999 21.560 -8.463 263 3HD2 LEU 53 3HD2 LEU 53 -16.866 22.217 -9.852 264 H ALA 54 H ALA 54 -15.756 17.944 -13.494 265 HA ALA 54 HA ALA 54 -13.287 16.605 -13.584 266 1HB ALA 54 1HB ALA 54 -15.701 16.431 -15.376 267 2HB ALA 54 2HB ALA 54 -14.313 15.348 -15.492 268 3HB ALA 54 3HB ALA 54 -15.284 15.382 -14.020 269 H SER 55 H SER 55 -14.899 18.583 -16.076 270 HA SER 55 HA SER 55 -12.855 18.477 -17.975 271 1HB SER 55 2HB SER 55 -14.754 19.353 -18.911 272 2HB SER 55 3HB SER 55 -15.177 20.265 -17.462 273 HG SER 55 HG SER 55 -14.297 21.367 -19.506 274 H SER 56 H SER 56 -13.216 20.430 -15.112 275 HA SER 56 HA SER 56 -11.371 22.459 -15.698 276 1HB SER 56 2HB SER 56 -13.023 22.325 -13.743 277 2HB SER 56 3HB SER 56 -11.811 21.332 -12.934 278 HG SER 56 HG SER 56 -11.644 23.585 -12.433 279 H GLN 57 H GLN 57 -10.911 19.143 -15.029 280 HA GLN 57 HA GLN 57 -8.039 19.593 -14.557 281 1HB GLN 57 2HB GLN 57 -9.806 17.284 -13.742 282 2HB GLN 57 3HB GLN 57 -8.053 17.268 -13.602 283 1HG GLN 57 2HG GLN 57 -9.693 19.419 -12.321 284 2HG GLN 57 3HG GLN 57 -9.439 17.863 -11.535 285 1HE2 GLN 57 1HE2 GLN 57 -6.899 17.253 -12.032 286 2HE2 GLN 57 2HE2 GLN 57 -5.828 18.443 -11.385 287 HN2 GLY 58 H GLY 58 -10.065 16.929 -15.801 288 1HA GLY 58 2HA GLY 58 -8.290 16.833 -18.159 289 2HA GLY 58 3HA GLY 58 -8.757 15.371 -17.305 290 H ASP 59 H ASP 59 -9.255 15.434 -19.931 291 HA ASP 59 HA ASP 59 -11.835 16.483 -20.575 292 1HB ASP 59 2HB ASP 59 -10.277 14.341 -22.034 293 2HB ASP 59 3HB ASP 59 -11.581 15.329 -22.687 294 H ILE 60 H ILE 60 -13.784 15.411 -20.797 295 HA ILE 60 HA ILE 60 -13.943 12.829 -19.391 296 HB ILE 60 HB ILE 60 -16.140 14.859 -19.808 297 1HG1 ILE 60 2HG1 ILE 60 -15.735 14.765 -17.129 298 2HG1 ILE 60 3HG1 ILE 60 -14.091 14.507 -17.704 299 1HG2 ILE 60 1HG2 ILE 60 -17.545 13.263 -19.180 300 2HG2 ILE 60 2HG2 ILE 60 -16.211 12.114 -19.103 301 3HG2 ILE 60 3HG2 ILE 60 -16.647 13.055 -17.677 302 1HD1 ILE 60 1HD1 ILE 60 -13.886 16.687 -17.974 303 2HD1 ILE 60 2HD1 ILE 60 -15.151 16.638 -19.202 304 3HD1 ILE 60 3HD1 ILE 60 -15.571 16.930 -17.514 305 H LEU 61 H LEU 61 -14.786 11.084 -20.379 306 HA LEU 61 HA LEU 61 -15.572 11.385 -23.185 307 1HB LEU 61 2HB LEU 61 -15.115 8.763 -21.822 308 2HB LEU 61 3HB LEU 61 -14.942 9.174 -23.527 309 HG LEU 61 HG LEU 61 -13.064 9.888 -21.279 310 1HD1 LEU 61 1HD1 LEU 61 -12.526 8.293 -23.769 311 2HD1 LEU 61 2HD1 LEU 61 -13.040 7.556 -22.252 312 3HD1 LEU 61 3HD1 LEU 61 -11.520 8.446 -22.328 313 1HD2 LEU 61 1HD2 LEU 61 -11.744 10.640 -23.480 314 2HD2 LEU 61 2HD2 LEU 61 -12.741 11.745 -22.534 315 3HD2 LEU 61 3HD2 LEU 61 -13.390 11.004 -23.998 316 H ASP 62 H ASP 62 -16.781 10.438 -20.073 317 HA ASP 62 HA ASP 62 -19.466 10.669 -20.786 318 1HB ASP 62 2HB ASP 62 -18.364 8.209 -21.636 319 2HB ASP 62 3HB ASP 62 -19.373 7.849 -20.237 320 H ILE 63 H ILE 63 -20.483 11.123 -18.951 321 HA ILE 63 HA ILE 63 -19.322 10.142 -16.434 322 HB ILE 63 HB ILE 63 -21.178 12.489 -16.844 323 1HG1 ILE 63 2HG1 ILE 63 -18.186 12.398 -16.405 324 2HG1 ILE 63 3HG1 ILE 63 -19.007 12.913 -17.874 325 1HG2 ILE 63 1HG2 ILE 63 -21.284 11.381 -14.623 326 2HG2 ILE 63 2HG2 ILE 63 -19.566 11.716 -14.419 327 3HG2 ILE 63 3HG2 ILE 63 -20.714 13.048 -14.555 328 1HD1 ILE 63 1HD1 ILE 63 -18.718 14.319 -15.271 329 2HD1 ILE 63 2HD1 ILE 63 -18.502 14.923 -16.914 330 3HD1 ILE 63 3HD1 ILE 63 -20.125 14.652 -16.280 331 H VAL 64 H VAL 64 -20.344 8.421 -15.655 332 HA VAL 64 HA VAL 64 -23.202 8.069 -16.158 333 HB VAL 64 HB VAL 64 -21.195 6.171 -14.934 334 1HG1 VAL 64 1HG1 VAL 64 -23.028 4.486 -15.387 335 2HG1 VAL 64 2HG1 VAL 64 -23.315 5.605 -14.053 336 3HG1 VAL 64 3HG1 VAL 64 -24.111 5.860 -15.607 337 1HG2 VAL 64 1HG2 VAL 64 -20.913 6.731 -17.371 338 2HG2 VAL 64 2HG2 VAL 64 -21.183 5.024 -17.016 339 3HG2 VAL 64 3HG2 VAL 64 -22.502 6.014 -17.642 340 H VAL 65 H VAL 65 -24.730 7.864 -14.543 341 HA VAL 65 HA VAL 65 -23.852 8.368 -11.785 342 HB VAL 65 HB VAL 65 -26.107 9.819 -13.177 343 1HG1 VAL 65 1HG1 VAL 65 -26.329 11.035 -11.028 344 2HG1 VAL 65 2HG1 VAL 65 -26.740 9.323 -10.906 345 3HG1 VAL 65 3HG1 VAL 65 -25.185 9.904 -10.307 346 1HG2 VAL 65 1HG2 VAL 65 -23.936 10.712 -13.778 347 2HG2 VAL 65 2HG2 VAL 65 -24.769 11.834 -12.702 348 3HG2 VAL 65 3HG2 VAL 65 -23.477 10.808 -12.078 349 H ASP 66 H ASP 66 -24.835 7.133 -10.303 350 HA ASP 66 HA ASP 66 -26.482 4.984 -11.061 351 1HB ASP 66 2HB ASP 66 -26.602 4.440 -8.733 352 2HB ASP 66 3HB ASP 66 -24.988 5.076 -9.036 353 H LEU 67 H LEU 67 -28.454 4.872 -9.078 354 HA LEU 67 HA LEU 67 -30.423 6.686 -10.239 355 1HB LEU 67 2HB LEU 67 -32.031 5.218 -8.933 356 2HB LEU 67 3HB LEU 67 -31.170 4.473 -10.278 357 HG LEU 67 HG LEU 67 -31.451 3.152 -8.079 358 1HD1 LEU 67 1HD1 LEU 67 -29.330 3.304 -10.019 359 2HD1 LEU 67 2HD1 LEU 67 -30.049 1.891 -9.248 360 3HD1 LEU 67 3HD1 LEU 67 -28.720 2.743 -8.462 361 1HD2 LEU 67 1HD2 LEU 67 -30.684 5.022 -6.636 362 2HD2 LEU 67 2HD2 LEU 67 -29.072 4.847 -7.331 363 3HD2 LEU 67 3HD2 LEU 67 -29.778 3.527 -6.397 364 H SER 68 H SER 68 -28.385 7.490 -8.200 365 HA SER 68 HA SER 68 -28.223 8.668 -6.249 366 1HB SER 68 2HB SER 68 -29.804 10.469 -6.026 367 2HB SER 68 3HB SER 68 -29.543 10.197 -7.749 368 HG SER 68 HG SER 68 -31.527 9.393 -7.945 369 H ASP 69 H ASP 69 -28.609 6.272 -5.425 370 HA ASP 69 HA ASP 69 -31.045 5.847 -3.973 371 1HB ASP 69 2HB ASP 69 -28.801 4.286 -4.745 372 2HB ASP 69 3HB ASP 69 -28.929 4.190 -2.991 373 H ASP 70 H ASP 70 -31.474 6.169 -1.848 374 HA ASP 70 HA ASP 70 -29.928 8.085 -0.432 375 1HB ASP 70 2HB ASP 70 -32.347 6.432 0.226 376 2HB ASP 70 3HB ASP 70 -31.547 7.373 1.482 377 H ASN 71 H ASN 71 -29.593 4.761 -0.794 378 HA ASN 71 HA ASN 71 -28.079 4.538 1.722 379 1HB ASN 71 2HB ASN 71 -30.094 2.908 0.835 380 2HB ASN 71 3HB ASN 71 -28.664 2.048 0.271 381 1HD2 ASN 71 1HD2 ASN 71 -28.186 0.491 1.629 382 2HD2 ASN 71 2HD2 ASN 71 -28.205 0.598 3.354 383 H SER 72 H SER 72 -27.765 4.855 -1.592 384 HA SER 72 HA SER 72 -25.064 3.676 -1.532 385 1HB SER 72 2HB SER 72 -27.216 3.231 -3.362 386 2HB SER 72 3HB SER 72 -25.907 4.038 -4.225 387 HG SER 72 HG SER 72 -25.784 1.620 -2.752 388 HN2 GLY 73 H GLY 73 -26.777 5.946 -3.681 389 1HA GLY 73 2HA GLY 73 -26.128 7.976 -4.540 390 2HA GLY 73 3HA GLY 73 -25.540 8.297 -2.916 391 H LYS 74 H LYS 74 -24.676 7.058 -6.086 392 HA LYS 74 HA LYS 74 -21.940 7.938 -5.658 393 1HB LYS 74 2HB LYS 74 -21.037 5.764 -6.532 394 2HB LYS 74 3HB LYS 74 -21.730 5.676 -4.918 395 1HG LYS 74 2HG LYS 74 -23.708 4.629 -5.747 396 2HG LYS 74 3HG LYS 74 -23.212 4.900 -7.419 397 1HD LYS 74 2HD LYS 74 -22.288 2.873 -7.370 398 2HD LYS 74 3HD LYS 74 -21.082 3.530 -6.262 399 1HE LYS 74 2HE LYS 74 -22.283 2.796 -4.367 400 2HE LYS 74 3HE LYS 74 -23.734 2.476 -5.315 401 1HZ LYS 74 1HZ LYS 74 -21.632 0.724 -4.709 402 2HZ LYS 74 2HZ LYS 74 -21.653 0.952 -6.385 403 3HZ LYS 74 3HZ LYS 74 -23.042 0.407 -5.589 404 H ALA 75 H ALA 75 -20.674 7.232 -7.837 405 HA ALA 75 HA ALA 75 -22.204 7.221 -10.230 406 1HB ALA 75 1HB ALA 75 -21.154 9.850 -9.245 407 2HB ALA 75 2HB ALA 75 -21.355 9.532 -10.968 408 3HB ALA 75 3HB ALA 75 -22.749 9.460 -9.890 409 H TYR 76 H TYR 76 -20.629 8.035 -12.126 410 HA TYR 76 HA TYR 76 -17.872 7.256 -11.552 411 1HB TYR 76 2HB TYR 76 -19.196 6.015 -13.932 412 2HB TYR 76 3HB TYR 76 -17.782 5.474 -13.034 413 HD1 TYR 76 HD1 TYR 76 -17.999 4.043 -11.128 414 HD2 TYR 76 HD2 TYR 76 -21.465 5.602 -13.041 415 HE1 TYR 76 HE1 TYR 76 -19.399 2.463 -9.866 416 HE2 TYR 76 HE2 TYR 76 -22.875 4.027 -11.783 417 HH TYR 76 HH TYR 76 -22.340 1.590 -10.639 418 H ILE 77 H ILE 77 -16.481 8.547 -12.561 419 HA ILE 77 HA ILE 77 -17.469 10.152 -14.826 420 HB ILE 77 HB ILE 77 -15.159 10.855 -13.019 421 1HG1 ILE 77 2HG1 ILE 77 -18.040 11.770 -12.880 422 2HG1 ILE 77 3HG1 ILE 77 -17.210 10.772 -11.692 423 1HG2 ILE 77 1HG2 ILE 77 -16.642 12.948 -14.439 424 2HG2 ILE 77 2HG2 ILE 77 -14.905 12.718 -14.244 425 3HG2 ILE 77 3HG2 ILE 77 -15.779 11.819 -15.483 426 1HD1 ILE 77 1HD1 ILE 77 -15.575 12.890 -11.713 427 2HD1 ILE 77 2HD1 ILE 77 -17.094 13.678 -12.143 428 3HD1 ILE 77 3HD1 ILE 77 -16.974 12.749 -10.649 429 H VAL 78 H VAL 78 -16.816 9.170 -16.645 430 HA VAL 78 HA VAL 78 -14.278 7.805 -16.812 431 HB VAL 78 HB VAL 78 -16.192 8.416 -19.064 432 1HG1 VAL 78 1HG1 VAL 78 -14.794 7.285 -20.370 433 2HG1 VAL 78 2HG1 VAL 78 -13.635 7.280 -19.040 434 3HG1 VAL 78 3HG1 VAL 78 -14.754 5.932 -19.241 435 1HG2 VAL 78 1HG2 VAL 78 -17.339 7.243 -17.234 436 2HG2 VAL 78 2HG2 VAL 78 -17.179 6.231 -18.669 437 3HG2 VAL 78 3HG2 VAL 78 -16.111 5.978 -17.288 438 H PHE 79 H PHE 79 -12.411 8.684 -17.400 439 HA PHE 79 HA PHE 79 -12.453 11.334 -18.676 440 1HB PHE 79 2HB PHE 79 -10.445 9.984 -16.881 441 2HB PHE 79 3HB PHE 79 -10.021 11.393 -17.848 442 HD1 PHE 79 HD1 PHE 79 -11.090 13.563 -17.409 443 HD2 PHE 79 HD2 PHE 79 -11.787 10.177 -14.926 444 HE1 PHE 79 HE1 PHE 79 -11.986 15.038 -15.654 445 HE2 PHE 79 HE2 PHE 79 -12.685 11.645 -13.169 446 HZ PHE 79 HZ PHE 79 -12.786 14.079 -13.532 447 H ALA 80 H ALA 80 -10.200 11.667 -19.882 448 HA ALA 80 HA ALA 80 -10.315 10.033 -22.184 449 1HB ALA 80 1HB ALA 80 -7.959 11.264 -22.510 450 2HB ALA 80 2HB ALA 80 -9.510 12.061 -22.780 451 3HB ALA 80 3HB ALA 80 -8.653 12.293 -21.256 452 H THR 81 H THR 81 -8.097 10.136 -19.431 453 HA THR 81 HA THR 81 -7.391 7.390 -19.773 454 HB THR 81 HB THR 81 -4.855 8.764 -19.819 455 HG1 THR 81 HG1 THR 81 -5.526 10.293 -21.180 456 1HG2 THR 81 1HG2 THR 81 -5.456 6.337 -20.346 457 2HG2 THR 81 2HG2 THR 81 -4.303 7.127 -21.421 458 3HG2 THR 81 3HG2 THR 81 -5.983 6.930 -21.920 459 H GLN 82 H GLN 82 -5.687 6.727 -18.156 460 HA GLN 82 HA GLN 82 -6.399 7.467 -15.596 461 1HB GLN 82 2HB GLN 82 -4.878 5.508 -16.571 462 2HB GLN 82 3HB GLN 82 -3.591 6.583 -16.040 463 1HG GLN 82 2HG GLN 82 -5.277 6.545 -13.878 464 2HG GLN 82 3HG GLN 82 -5.383 4.895 -14.489 465 1HE2 GLN 82 1HE2 GLN 82 -2.925 7.382 -13.873 466 2HE2 GLN 82 2HE2 GLN 82 -1.763 6.305 -13.184 467 H GLU 83 H GLU 83 -4.073 8.929 -17.742 468 HA GLU 83 HA GLU 83 -2.539 10.394 -15.946 469 1HB GLU 83 2HB GLU 83 -3.391 10.931 -18.781 470 2HB GLU 83 3HB GLU 83 -2.367 12.059 -17.903 471 1HG GLU 83 2HG GLU 83 -0.631 10.467 -17.697 472 2HG GLU 83 3HG GLU 83 -1.675 9.157 -18.244 473 H SER 84 H SER 84 -5.504 11.414 -17.640 474 HA SER 84 HA SER 84 -5.689 13.877 -16.210 475 1HB SER 84 2HB SER 84 -7.212 12.483 -18.296 476 2HB SER 84 3HB SER 84 -8.217 13.428 -17.198 477 HG SER 84 HG SER 84 -6.452 15.103 -17.640 478 H ALA 85 H ALA 85 -7.301 10.734 -15.957 479 HA ALA 85 HA ALA 85 -9.201 11.310 -14.036 480 1HB ALA 85 1HB ALA 85 -8.256 9.023 -15.274 481 2HB ALA 85 2HB ALA 85 -7.963 8.734 -13.559 482 3HB ALA 85 3HB ALA 85 -9.589 9.120 -14.123 483 H GLN 86 H GLN 86 -5.885 10.121 -13.473 484 HA GLN 86 HA GLN 86 -5.959 10.196 -10.686 485 1HB GLN 86 2HB GLN 86 -4.177 9.034 -11.768 486 2HB GLN 86 3HB GLN 86 -3.666 10.483 -12.624 487 1HG GLN 86 2HG GLN 86 -2.513 11.287 -10.862 488 2HG GLN 86 3HG GLN 86 -3.653 10.643 -9.682 489 1HE2 GLN 86 1HE2 GLN 86 -2.470 9.463 -8.341 490 2HE2 GLN 86 2HE2 GLN 86 -1.373 8.211 -8.804 491 H ALA 87 H ALA 87 -5.348 12.725 -13.031 492 HA ALA 87 HA ALA 87 -4.284 14.657 -11.278 493 1HB ALA 87 1HB ALA 87 -4.648 16.234 -13.006 494 2HB ALA 87 2HB ALA 87 -4.246 14.709 -13.798 495 3HB ALA 87 3HB ALA 87 -5.922 15.252 -13.730 496 H PHE 88 H PHE 88 -7.613 14.058 -12.372 497 HA PHE 88 HA PHE 88 -8.715 16.163 -10.777 498 1HB PHE 88 2HB PHE 88 -9.900 15.542 -12.764 499 2HB PHE 88 3HB PHE 88 -9.972 13.855 -12.265 500 HD1 PHE 88 HD1 PHE 88 -11.503 13.149 -10.492 501 HD2 PHE 88 HD2 PHE 88 -11.445 17.157 -11.924 502 HE1 PHE 88 HE1 PHE 88 -13.692 13.552 -9.442 503 HE2 PHE 88 HE2 PHE 88 -13.632 17.567 -10.876 504 HZ PHE 88 HZ PHE 88 -14.759 15.764 -9.633 505 H VAL 89 H VAL 89 -8.290 12.692 -10.410 506 HA VAL 89 HA VAL 89 -9.887 12.402 -8.084 507 HB VAL 89 HB VAL 89 -7.603 10.703 -9.094 508 1HG1 VAL 89 1HG1 VAL 89 -9.185 10.574 -6.649 509 2HG1 VAL 89 2HG1 VAL 89 -9.230 9.082 -7.590 510 3HG1 VAL 89 3HG1 VAL 89 -7.683 9.753 -7.072 511 1HG2 VAL 89 1HG2 VAL 89 -9.058 9.665 -10.445 512 2HG2 VAL 89 2HG2 VAL 89 -10.341 9.682 -9.235 513 3HG2 VAL 89 3HG2 VAL 89 -10.053 11.105 -10.235 514 H GLU 90 H GLU 90 -6.458 13.063 -8.609 515 HA GLU 90 HA GLU 90 -5.839 12.987 -5.796 516 1HB GLU 90 2HB GLU 90 -3.611 13.406 -6.410 517 2HB GLU 90 3HB GLU 90 -4.249 12.421 -7.720 518 1HG GLU 90 2HG GLU 90 -3.307 13.980 -9.018 519 2HG GLU 90 3HG GLU 90 -4.779 14.886 -8.670 520 H ALA 91 H ALA 91 -6.846 15.354 -8.106 521 HA ALA 91 HA ALA 91 -5.972 17.645 -6.619 522 1HB ALA 91 1HB ALA 91 -7.871 17.326 -8.933 523 2HB ALA 91 2HB ALA 91 -7.468 18.885 -8.211 524 3HB ALA 91 3HB ALA 91 -6.208 17.911 -8.968 525 H PHE 92 H PHE 92 -8.774 15.603 -6.630 526 HA PHE 92 HA PHE 92 -10.055 17.390 -4.667 527 1HB PHE 92 2HB PHE 92 -11.303 15.595 -6.748 528 2HB PHE 92 3HB PHE 92 -12.214 16.260 -5.396 529 HD1 PHE 92 HD1 PHE 92 -13.202 18.344 -5.577 530 HD2 PHE 92 HD2 PHE 92 -10.075 17.277 -8.260 531 HE1 PHE 92 HE1 PHE 92 -13.604 20.405 -6.860 532 HE2 PHE 92 HE2 PHE 92 -10.471 19.337 -9.546 533 HZ PHE 92 HZ PHE 92 -12.236 20.905 -8.847 534 H GLN 93 H GLN 93 -8.238 14.790 -4.752 535 HA GLN 93 HA GLN 93 -9.515 12.659 -3.590 536 1HB GLN 93 2HB GLN 93 -7.247 12.371 -4.156 537 2HB GLN 93 3HB GLN 93 -6.744 13.760 -3.203 538 1HG GLN 93 2HG GLN 93 -7.230 12.558 -1.152 539 2HG GLN 93 3HG GLN 93 -7.799 11.173 -2.084 540 1HE2 GLN 93 1HE2 GLN 93 -6.388 9.621 -2.437 541 2HE2 GLN 93 2HE2 GLN 93 -4.668 9.771 -2.362 542 HN2 GLY 94 H GLY 94 -8.586 15.698 -2.116 543 1HA GLY 94 2HA GLY 94 -10.048 14.875 0.306 544 2HA GLY 94 3HA GLY 94 -8.468 15.631 0.449 545 H TYR 95 H TYR 95 -11.307 16.336 -1.582 546 HA TYR 95 HA TYR 95 -11.266 19.073 -0.491 547 1HB TYR 95 2HB TYR 95 -10.585 19.080 -2.820 548 2HB TYR 95 3HB TYR 95 -12.004 18.143 -3.273 549 HD1 TYR 95 HD1 TYR 95 -14.261 19.193 -3.154 550 HD2 TYR 95 HD2 TYR 95 -10.698 21.442 -2.560 551 HE1 TYR 95 HE1 TYR 95 -15.516 21.273 -3.540 552 HE2 TYR 95 HE2 TYR 95 -11.944 23.528 -2.943 553 HH TYR 95 HH TYR 95 -13.888 24.413 -3.624 554 HA PRO 96 HA PRO 96 -15.361 18.273 0.946 555 1HB PRO 96 2HB PRO 96 -16.114 20.844 1.384 556 2HB PRO 96 3HB PRO 96 -14.995 19.977 2.443 557 1HG PRO 96 2HG PRO 96 -14.403 21.941 0.262 558 2HG PRO 96 3HG PRO 96 -13.679 21.809 1.876 559 1HD PRO 96 2HD PRO 96 -12.460 20.863 -0.349 560 2HD PRO 96 3HD PRO 96 -12.271 20.099 1.242 561 H PHE 97 H PHE 97 -16.581 17.500 -0.726 562 HA PHE 97 HA PHE 97 -17.933 19.515 -2.384 563 1HB PHE 97 2HB PHE 97 -16.252 18.456 -3.793 564 2HB PHE 97 3HB PHE 97 -16.842 16.860 -3.339 565 HD1 PHE 97 HD1 PHE 97 -17.983 15.806 -5.013 566 HD2 PHE 97 HD2 PHE 97 -18.388 20.022 -4.593 567 HE1 PHE 97 HE1 PHE 97 -19.545 15.842 -6.914 568 HE2 PHE 97 HE2 PHE 97 -19.951 20.065 -6.493 569 HZ PHE 97 HZ PHE 97 -20.532 17.973 -7.656 570 H GLN 98 H GLN 98 -20.073 19.053 -2.945 571 HA GLN 98 HA GLN 98 -22.185 18.328 -2.491 572 1HB GLN 98 2HB GLN 98 -20.614 15.787 -2.758 573 2HB GLN 98 3HB GLN 98 -22.326 15.731 -2.359 574 1HG GLN 98 2HG GLN 98 -21.317 17.250 -4.736 575 2HG GLN 98 3HG GLN 98 -21.655 15.521 -4.811 576 1HE2 GLN 98 1HE2 GLN 98 -23.881 15.053 -3.632 577 2HE2 GLN 98 2HE2 GLN 98 -25.190 16.015 -4.218 578 HN2 GLY 99 H GLY 99 -20.497 19.052 -0.213 579 1HA GLY 99 2HA GLY 99 -21.850 19.020 1.959 580 2HA GLY 99 3HA GLY 99 -21.602 17.283 1.871 581 H ASN 100 H ASN 100 -19.221 16.641 1.624 582 HA ASN 100 HA ASN 100 -17.136 18.293 2.454 583 1HB ASN 100 2HB ASN 100 -18.868 17.442 4.605 584 2HB ASN 100 3HB ASN 100 -17.245 16.797 4.829 585 1HD2 ASN 100 1HD2 ASN 100 -18.891 18.984 6.130 586 2HD2 ASN 100 2HD2 ASN 100 -17.824 20.342 6.164 587 HA PRO 101 HA PRO 101 -15.761 13.701 3.007 588 1HB PRO 101 2HB PRO 101 -17.691 11.793 2.927 589 2HB PRO 101 3HB PRO 101 -17.191 12.591 4.423 590 1HG PRO 101 2HG PRO 101 -19.560 13.149 2.680 591 2HG PRO 101 3HG PRO 101 -19.466 13.071 4.449 592 1HD PRO 101 2HD PRO 101 -19.483 15.414 3.093 593 2HD PRO 101 3HD PRO 101 -18.608 15.203 4.623 594 H LEU 102 H LEU 102 -14.979 14.152 0.909 595 HA LEU 102 HA LEU 102 -16.557 13.021 -1.302 596 1HB LEU 102 2HB LEU 102 -15.990 15.375 -1.567 597 2HB LEU 102 3HB LEU 102 -14.281 14.998 -1.358 598 HG LEU 102 HG LEU 102 -14.369 13.675 -3.458 599 1HD1 LEU 102 1HD1 LEU 102 -16.573 13.017 -3.740 600 2HD1 LEU 102 2HD1 LEU 102 -16.390 14.298 -4.937 601 3HD1 LEU 102 3HD1 LEU 102 -17.205 14.630 -3.409 602 1HD2 LEU 102 1HD2 LEU 102 -13.470 15.702 -3.940 603 2HD2 LEU 102 2HD2 LEU 102 -14.844 16.594 -3.287 604 3HD2 LEU 102 3HD2 LEU 102 -14.952 15.851 -4.884 605 H VAL 103 H VAL 103 -15.836 11.276 -2.356 606 HA VAL 103 HA VAL 103 -13.053 10.422 -1.900 607 HB VAL 103 HB VAL 103 -14.611 9.039 -0.572 608 1HG1 VAL 103 1HG1 VAL 103 -16.270 9.248 -2.766 609 2HG1 VAL 103 2HG1 VAL 103 -15.716 7.574 -2.826 610 3HG1 VAL 103 3HG1 VAL 103 -16.511 8.189 -1.377 611 1HG2 VAL 103 1HG2 VAL 103 -13.885 6.818 -1.550 612 2HG2 VAL 103 2HG2 VAL 103 -13.157 7.741 -2.865 613 3HG2 VAL 103 3HG2 VAL 103 -12.599 7.975 -1.208 614 H ILE 104 H ILE 104 -11.927 9.875 -3.669 615 HA ILE 104 HA ILE 104 -13.381 9.322 -6.160 616 HB ILE 104 HB ILE 104 -11.256 10.646 -7.156 617 1HG1 ILE 104 2HG1 ILE 104 -10.764 11.232 -4.648 618 2HG1 ILE 104 3HG1 ILE 104 -10.577 12.465 -5.890 619 1HG2 ILE 104 1HG2 ILE 104 -13.405 11.104 -7.963 620 2HG2 ILE 104 2HG2 ILE 104 -13.980 11.638 -6.384 621 3HG2 ILE 104 3HG2 ILE 104 -12.851 12.639 -7.296 622 1HD1 ILE 104 1HD1 ILE 104 -11.858 12.941 -3.645 623 2HD1 ILE 104 2HD1 ILE 104 -12.378 13.654 -5.172 624 3HD1 ILE 104 3HD1 ILE 104 -13.205 12.233 -4.535 625 H THR 105 H THR 105 -12.712 7.490 -7.043 626 HA THR 105 HA THR 105 -9.900 6.697 -6.745 627 HB THR 105 HB THR 105 -10.570 4.351 -6.376 628 HG1 THR 105 HG1 THR 105 -13.114 5.493 -6.619 629 1HG2 THR 105 1HG2 THR 105 -11.581 4.735 -4.036 630 2HG2 THR 105 2HG2 THR 105 -11.445 6.452 -4.417 631 3HG2 THR 105 3HG2 THR 105 -10.002 5.439 -4.385 632 H PHE 106 H PHE 106 -9.257 4.994 -8.297 633 HA PHE 106 HA PHE 106 -10.322 5.605 -10.908 634 1HB PHE 106 2HB PHE 106 -8.145 3.640 -10.171 635 2HB PHE 106 3HB PHE 106 -8.467 4.306 -11.769 636 HD1 PHE 106 HD1 PHE 106 -7.592 6.395 -12.422 637 HD2 PHE 106 HD2 PHE 106 -7.287 5.130 -8.370 638 HE1 PHE 106 HE1 PHE 106 -6.037 8.245 -11.965 639 HE2 PHE 106 HE2 PHE 106 -5.732 6.978 -7.906 640 HZ PHE 106 HZ PHE 106 -5.105 8.540 -9.705 641 H SER 107 H SER 107 -11.212 3.495 -8.542 642 HA SER 107 HA SER 107 -12.622 1.709 -8.478 643 1HB SER 107 2HB SER 107 -13.653 3.136 -10.438 644 2HB SER 107 3HB SER 107 -13.051 1.815 -11.440 645 HG SER 107 HG SER 107 -14.612 1.328 -9.139 646 H GLU 108 H GLU 108 -13.083 -0.427 -10.066 647 HA GLU 108 HA GLU 108 -10.392 -1.573 -10.389 648 1HB GLU 108 2HB GLU 108 -13.030 -2.929 -9.806 649 2HB GLU 108 3HB GLU 108 -11.508 -3.771 -10.061 650 1HG GLU 108 2HG GLU 108 -10.929 -1.913 -8.093 651 2HG GLU 108 3HG GLU 108 -12.543 -2.492 -7.685 652 H THR 109 H THR 109 -9.735 -1.933 -12.391 653 HA THR 109 HA THR 109 -11.762 -2.435 -14.473 654 HB THR 109 HB THR 109 -10.006 -1.500 -16.073 655 HG1 THR 109 HG1 THR 109 -8.212 -0.788 -15.220 656 1HG2 THR 109 1HG2 THR 109 -10.538 0.930 -15.247 657 2HG2 THR 109 2HG2 THR 109 -11.582 0.094 -14.097 658 3HG2 THR 109 3HG2 THR 109 -11.835 -0.113 -15.830 659 HA PRO 110 HA PRO 110 -8.976 -6.144 -14.151 660 1HB PRO 110 2HB PRO 110 -10.991 -7.960 -14.251 661 2HB PRO 110 3HB PRO 110 -10.438 -7.221 -12.744 662 1HG PRO 110 2HG PRO 110 -12.799 -6.517 -14.445 663 2HG PRO 110 3HG PRO 110 -12.689 -6.640 -12.679 664 1HD PRO 110 2HD PRO 110 -12.616 -4.267 -13.983 665 2HD PRO 110 3HD PRO 110 -11.734 -4.552 -12.468 666 H GLN 111 H GLN 111 -9.276 -8.230 -15.625 667 HA GLN 111 HA GLN 111 -10.371 -7.553 -18.238 668 1HB GLN 111 2HB GLN 111 -7.642 -7.194 -17.665 669 2HB GLN 111 3HB GLN 111 -7.741 -8.675 -18.609 670 1HG GLN 111 2HG GLN 111 -8.052 -7.535 -20.477 671 2HG GLN 111 3HG GLN 111 -9.408 -6.655 -19.774 672 1HE2 GLN 111 1HE2 GLN 111 -9.166 -4.550 -19.812 673 2HE2 GLN 111 2HE2 GLN 111 -7.673 -3.687 -19.701 674 H SER 112 H SER 112 -10.872 -9.525 -16.078 675 HA SER 112 HA SER 112 -10.125 -12.054 -17.325 676 1HB SER 112 2HB SER 112 -10.413 -13.002 -15.285 677 2HB SER 112 3HB SER 112 -10.339 -11.340 -14.702 678 HG SER 112 HG SER 112 -12.191 -12.119 -13.866 679 H GLN 113 H GLN 113 -12.860 -9.951 -16.944 680 HA GLN 113 HA GLN 113 -14.724 -11.962 -17.924 681 1HB GLN 113 2HB GLN 113 -16.455 -10.352 -17.485 682 2HB GLN 113 3HB GLN 113 -15.374 -10.397 -16.098 683 1HG GLN 113 2HG GLN 113 -14.221 -8.384 -17.092 684 2HG GLN 113 3HG GLN 113 -15.568 -8.287 -18.225 685 1HE2 GLN 113 1HE2 GLN 113 -16.150 -6.262 -17.409 686 2HE2 GLN 113 2HE2 GLN 113 -16.951 -6.091 -15.887 687 H VAL 114 H VAL 114 -12.460 -10.351 -19.417 688 HA VAL 114 HA VAL 114 -13.671 -8.826 -21.427 689 HB VAL 114 HB VAL 114 -11.622 -9.251 -22.753 690 1HG1 VAL 114 1HG1 VAL 114 -11.058 -8.653 -19.851 691 2HG1 VAL 114 2HG1 VAL 114 -10.086 -8.158 -21.238 692 3HG1 VAL 114 3HG1 VAL 114 -11.707 -7.499 -21.016 693 1HG2 VAL 114 1HG2 VAL 114 -11.097 -11.229 -20.553 694 2HG2 VAL 114 2HG2 VAL 114 -11.084 -11.495 -22.297 695 3HG2 VAL 114 3HG2 VAL 114 -9.799 -10.554 -21.539 696 H ALA 115 H ALA 115 -14.023 -9.341 -23.668 697 HA ALA 115 HA ALA 115 -15.674 -11.512 -24.122 698 1HB ALA 115 1HB ALA 115 -14.250 -9.580 -25.857 699 2HB ALA 115 2HB ALA 115 -14.899 -11.030 -26.622 700 3HB ALA 115 3HB ALA 115 -15.971 -9.945 -25.738 701 H GLU 116 H GLU 116 -12.212 -11.182 -24.831 702 HA GLU 116 HA GLU 116 -11.798 -13.573 -26.170 703 1HB GLU 116 2HB GLU 116 -10.167 -11.619 -25.653 704 2HB GLU 116 3HB GLU 116 -9.793 -12.528 -24.195 705 1HG GLU 116 2HG GLU 116 -9.626 -13.754 -26.927 706 2HG GLU 116 3HG GLU 116 -8.282 -12.873 -26.203 707 H ASP 117 H ASP 117 -12.267 -12.973 -22.770 708 HA ASP 117 HA ASP 117 -12.465 -14.345 -20.965 709 1HB ASP 117 2HB ASP 117 -14.265 -15.332 -22.283 710 2HB ASP 117 3HB ASP 117 -13.112 -16.375 -23.113 Start of MODEL 13 1 H THR 22 H THR 22 5.426 6.571 -2.690 2 HA THR 22 HA THR 22 6.830 5.381 -4.786 3 HB THR 22 HB THR 22 6.872 3.602 -2.349 4 HG1 THR 22 HG1 THR 22 8.374 5.189 -1.924 5 1HG2 THR 22 1HG2 THR 22 7.093 2.114 -4.038 6 2HG2 THR 22 2HG2 THR 22 8.764 2.676 -4.045 7 3HG2 THR 22 3HG2 THR 22 7.604 3.343 -5.194 8 HA PRO 23 HA PRO 23 2.305 4.391 -4.233 9 1HB PRO 23 2HB PRO 23 1.529 5.446 -6.611 10 2HB PRO 23 3HB PRO 23 1.646 6.402 -5.129 11 1HG PRO 23 2HG PRO 23 3.588 6.177 -7.397 12 2HG PRO 23 3HG PRO 23 3.064 7.621 -6.512 13 1HD PRO 23 2HD PRO 23 5.418 6.379 -6.011 14 2HD PRO 23 3HD PRO 23 4.488 7.210 -4.747 15 HA PRO 24 HA PRO 24 3.393 0.770 -6.703 16 1HB PRO 24 2HB PRO 24 1.521 -0.839 -5.573 17 2HB PRO 24 3HB PRO 24 3.071 -0.482 -4.803 18 1HG PRO 24 2HG PRO 24 0.382 0.733 -4.299 19 2HG PRO 24 3HG PRO 24 1.617 0.226 -3.132 20 1HD PRO 24 2HD PRO 24 1.270 2.812 -3.853 21 2HD PRO 24 3HD PRO 24 2.857 2.147 -3.418 22 H HIS 25 H HIS 25 2.160 -0.639 -8.165 23 HA HIS 25 HA HIS 25 -0.522 0.155 -8.883 24 1HB HIS 25 2HB HIS 25 -0.015 0.816 -11.158 25 2HB HIS 25 3HB HIS 25 0.895 1.834 -10.046 26 HD1 HIS 25 HD1 HIS 25 3.470 0.774 -9.616 27 HD2 HIS 25 HD2 HIS 25 1.519 -0.081 -13.183 28 HE1 HIS 25 HE1 HIS 25 5.278 0.084 -11.222 29 H THR 26 H THR 26 -1.528 -1.292 -10.360 30 HA THR 26 HA THR 26 -0.024 -3.773 -10.866 31 HB THR 26 HB THR 26 -2.488 -4.784 -10.572 32 HG1 THR 26 HG1 THR 26 -3.744 -3.417 -9.572 33 1HG2 THR 26 1HG2 THR 26 -1.328 -4.496 -7.937 34 2HG2 THR 26 2HG2 THR 26 -0.092 -4.838 -9.148 35 3HG2 THR 26 3HG2 THR 26 -1.463 -5.930 -8.954 36 H GLU 27 H GLU 27 -3.096 -2.131 -11.649 37 HA GLU 27 HA GLU 27 -2.578 -2.645 -14.484 38 1HB GLU 27 2HB GLU 27 -5.095 -3.197 -14.671 39 2HB GLU 27 3HB GLU 27 -4.002 -4.448 -14.096 40 1HG GLU 27 2HG GLU 27 -4.685 -4.133 -11.847 41 2HG GLU 27 3HG GLU 27 -5.571 -2.665 -12.256 42 HA PRO 28 HA PRO 28 -4.045 1.439 -15.123 43 1HB PRO 28 2HB PRO 28 -5.249 1.227 -17.547 44 2HB PRO 28 3HB PRO 28 -3.495 1.175 -17.338 45 1HG PRO 28 2HG PRO 28 -5.428 -1.084 -17.685 46 2HG PRO 28 3HG PRO 28 -3.833 -0.853 -18.425 47 1HD PRO 28 2HD PRO 28 -4.230 -2.483 -16.300 48 2HD PRO 28 3HD PRO 28 -2.716 -1.590 -16.549 49 H SER 29 H SER 29 -5.970 2.772 -15.442 50 HA SER 29 HA SER 29 -8.566 1.533 -15.328 51 1HB SER 29 2HB SER 29 -7.669 3.142 -12.928 52 2HB SER 29 3HB SER 29 -9.212 2.316 -13.142 53 HG SER 29 HG SER 29 -7.422 1.257 -11.866 54 H GLN 30 H GLN 30 -9.523 2.755 -16.821 55 HA GLN 30 HA GLN 30 -8.993 5.623 -16.919 56 1HB GLN 30 2HB GLN 30 -10.751 4.062 -18.803 57 2HB GLN 30 3HB GLN 30 -9.965 5.611 -19.082 58 1HG GLN 30 2HG GLN 30 -7.766 4.335 -18.834 59 2HG GLN 30 3HG GLN 30 -8.742 2.878 -19.012 60 1HE2 GLN 30 1HE2 GLN 30 -6.871 3.188 -20.829 61 2HE2 GLN 30 2HE2 GLN 30 -7.517 3.701 -22.346 62 H VAL 31 H VAL 31 -10.734 4.117 -14.899 63 HA VAL 31 HA VAL 31 -13.000 5.972 -15.073 64 HB VAL 31 HB VAL 31 -14.596 4.287 -14.418 65 1HG1 VAL 31 1HG1 VAL 31 -13.387 2.743 -16.584 66 2HG1 VAL 31 2HG1 VAL 31 -14.932 3.593 -16.520 67 3HG1 VAL 31 3HG1 VAL 31 -13.453 4.477 -16.900 68 1HG2 VAL 31 1HG2 VAL 31 -13.969 1.909 -14.275 69 2HG2 VAL 31 2HG2 VAL 31 -12.275 2.358 -14.473 70 3HG2 VAL 31 3HG2 VAL 31 -13.167 2.887 -13.047 71 H VAL 32 H VAL 32 -13.890 6.588 -13.081 72 HA VAL 32 HA VAL 32 -12.375 5.744 -10.700 73 HB VAL 32 HB VAL 32 -12.354 7.974 -9.838 74 1HG1 VAL 32 1HG1 VAL 32 -10.978 9.136 -11.506 75 2HG1 VAL 32 2HG1 VAL 32 -10.545 7.431 -11.369 76 3HG1 VAL 32 3HG1 VAL 32 -11.512 7.990 -12.735 77 1HG2 VAL 32 1HG2 VAL 32 -14.397 8.407 -11.883 78 2HG2 VAL 32 2HG2 VAL 32 -14.139 9.233 -10.346 79 3HG2 VAL 32 3HG2 VAL 32 -13.214 9.710 -11.770 80 H LEU 33 H LEU 33 -13.530 5.393 -8.861 81 HA LEU 33 HA LEU 33 -16.452 5.612 -9.102 82 1HB LEU 33 2HB LEU 33 -16.108 3.395 -8.710 83 2HB LEU 33 3HB LEU 33 -14.625 3.675 -7.799 84 HG LEU 33 HG LEU 33 -15.933 4.335 -5.850 85 1HD1 LEU 33 1HD1 LEU 33 -17.980 4.725 -7.727 86 2HD1 LEU 33 2HD1 LEU 33 -18.055 4.961 -5.981 87 3HD1 LEU 33 3HD1 LEU 33 -18.514 3.409 -6.681 88 1HD2 LEU 33 1HD2 LEU 33 -16.287 1.694 -7.147 89 2HD2 LEU 33 2HD2 LEU 33 -17.274 2.039 -5.727 90 3HD2 LEU 33 3HD2 LEU 33 -15.515 2.114 -5.618 91 H ILE 34 H ILE 34 -17.343 7.239 -8.034 92 HA ILE 34 HA ILE 34 -15.995 8.273 -5.635 93 HB ILE 34 HB ILE 34 -17.308 10.321 -5.954 94 1HG1 ILE 34 2HG1 ILE 34 -19.040 8.786 -7.379 95 2HG1 ILE 34 3HG1 ILE 34 -18.998 10.545 -7.446 96 1HG2 ILE 34 1HG2 ILE 34 -15.138 10.293 -6.937 97 2HG2 ILE 34 2HG2 ILE 34 -15.717 9.382 -8.331 98 3HG2 ILE 34 3HG2 ILE 34 -16.231 11.052 -8.094 99 1HD1 ILE 34 1HD1 ILE 34 -17.735 10.513 -9.456 100 2HD1 ILE 34 2HD1 ILE 34 -17.472 8.773 -9.332 101 3HD1 ILE 34 3HD1 ILE 34 -19.088 9.400 -9.658 102 H THR 35 H THR 35 -17.172 8.702 -3.748 103 HA THR 35 HA THR 35 -19.935 7.772 -3.606 104 HB THR 35 HB THR 35 -19.557 6.293 -1.739 105 HG1 THR 35 HG1 THR 35 -17.779 6.432 -0.609 106 1HG2 THR 35 1HG2 THR 35 -18.272 4.512 -2.817 107 2HG2 THR 35 2HG2 THR 35 -17.601 5.678 -3.958 108 3HG2 THR 35 3HG2 THR 35 -19.327 5.318 -3.976 109 H ASN 36 H ASN 36 -20.460 7.889 -1.000 110 HA ASN 36 HA ASN 36 -20.877 9.279 0.752 111 1HB ASN 36 2HB ASN 36 -18.130 9.405 0.383 112 2HB ASN 36 3HB ASN 36 -18.619 11.097 0.422 113 1HD2 ASN 36 1HD2 ASN 36 -20.164 11.635 2.238 114 2HD2 ASN 36 2HD2 ASN 36 -19.805 10.948 3.782 115 H ILE 37 H ILE 37 -21.626 9.942 -2.070 116 HA ILE 37 HA ILE 37 -21.733 12.856 -2.019 117 HB ILE 37 HB ILE 37 -22.863 12.600 -4.239 118 1HG1 ILE 37 2HG1 ILE 37 -22.086 9.692 -3.950 119 2HG1 ILE 37 3HG1 ILE 37 -23.731 10.294 -3.780 120 1HG2 ILE 37 1HG2 ILE 37 -20.163 11.295 -3.919 121 2HG2 ILE 37 2HG2 ILE 37 -20.821 11.918 -5.431 122 3HG2 ILE 37 3HG2 ILE 37 -20.481 13.021 -4.098 123 1HD1 ILE 37 1HD1 ILE 37 -22.077 9.942 -6.204 124 2HD1 ILE 37 2HD1 ILE 37 -23.800 9.664 -5.950 125 3HD1 ILE 37 3HD1 ILE 37 -23.194 11.305 -6.171 126 H ASN 38 H ASN 38 -23.534 14.035 -1.638 127 HA ASN 38 HA ASN 38 -25.743 12.748 -0.348 128 1HB ASN 38 2HB ASN 38 -24.645 15.358 -0.430 129 2HB ASN 38 3HB ASN 38 -26.314 15.488 -0.980 130 1HD2 ASN 38 1HD2 ASN 38 -27.920 14.304 0.405 131 2HD2 ASN 38 2HD2 ASN 38 -27.704 14.413 2.116 132 HA PRO 39 HA PRO 39 -28.037 12.084 -4.109 133 1HB PRO 39 2HB PRO 39 -30.233 11.032 -2.909 134 2HB PRO 39 3HB PRO 39 -28.740 10.118 -3.150 135 1HG PRO 39 2HG PRO 39 -29.730 11.517 -0.695 136 2HG PRO 39 3HG PRO 39 -28.967 9.923 -0.844 137 1HD PRO 39 2HD PRO 39 -27.606 12.119 -0.033 138 2HD PRO 39 3HD PRO 39 -26.843 10.810 -0.959 139 H GLU 40 H GLU 40 -28.653 14.271 -1.617 140 HA GLU 40 HA GLU 40 -31.231 15.161 -2.018 141 1HB GLU 40 2HB GLU 40 -28.769 16.266 -0.916 142 2HB GLU 40 3HB GLU 40 -29.792 17.501 -1.636 143 1HG GLU 40 2HG GLU 40 -31.683 16.603 -0.260 144 2HG GLU 40 3HG GLU 40 -30.504 15.587 0.568 145 H VAL 41 H VAL 41 -28.439 15.561 -4.049 146 HA VAL 41 HA VAL 41 -29.803 17.508 -5.746 147 HB VAL 41 HB VAL 41 -27.464 17.952 -5.294 148 1HG1 VAL 41 1HG1 VAL 41 -26.678 15.714 -4.849 149 2HG1 VAL 41 2HG1 VAL 41 -26.954 15.248 -6.529 150 3HG1 VAL 41 3HG1 VAL 41 -25.706 16.431 -6.134 151 1HG2 VAL 41 1HG2 VAL 41 -26.615 18.032 -7.648 152 2HG2 VAL 41 2HG2 VAL 41 -28.031 17.096 -8.128 153 3HG2 VAL 41 3HG2 VAL 41 -28.232 18.702 -7.428 154 HA PRO 42 HA PRO 42 -31.285 14.368 -8.483 155 1HB PRO 42 2HB PRO 42 -31.928 15.988 -10.565 156 2HB PRO 42 3HB PRO 42 -32.898 15.887 -9.090 157 1HG PRO 42 2HG PRO 42 -30.860 17.932 -9.881 158 2HG PRO 42 3HG PRO 42 -32.446 18.168 -9.123 159 1HD PRO 42 2HD PRO 42 -30.134 18.225 -7.714 160 2HD PRO 42 3HD PRO 42 -31.660 17.638 -7.022 161 H LYS 43 H LYS 43 -30.437 13.103 -10.056 162 HA LYS 43 HA LYS 43 -27.808 13.194 -10.798 163 1HB LYS 43 2HB LYS 43 -28.988 11.182 -11.180 164 2HB LYS 43 3HB LYS 43 -30.194 11.983 -12.179 165 1HG LYS 43 2HG LYS 43 -28.666 12.231 -13.977 166 2HG LYS 43 3HG LYS 43 -27.304 11.735 -12.970 167 1HD LYS 43 2HD LYS 43 -27.893 9.513 -13.032 168 2HD LYS 43 3HD LYS 43 -29.601 9.864 -13.312 169 1HE LYS 43 2HE LYS 43 -28.539 8.897 -15.295 170 2HE LYS 43 3HE LYS 43 -29.104 10.540 -15.595 171 1HZ LYS 43 1HZ LYS 43 -26.870 11.351 -15.343 172 2HZ LYS 43 2HZ LYS 43 -26.878 10.117 -16.499 173 3HZ LYS 43 3HZ LYS 43 -26.301 9.810 -14.939 174 H GLU 44 H GLU 44 -30.524 14.804 -12.325 175 HA GLU 44 HA GLU 44 -29.460 15.521 -14.764 176 1HB GLU 44 2HB GLU 44 -31.510 16.625 -12.959 177 2HB GLU 44 3HB GLU 44 -30.827 17.783 -14.092 178 1HG GLU 44 2HG GLU 44 -31.470 16.432 -15.960 179 2HG GLU 44 3HG GLU 44 -31.987 15.127 -14.894 180 H LYS 45 H LYS 45 -29.272 17.419 -11.750 181 HA LYS 45 HA LYS 45 -27.298 19.188 -12.907 182 1HB LYS 45 2HB LYS 45 -28.203 19.076 -10.030 183 2HB LYS 45 3HB LYS 45 -27.440 20.425 -10.861 184 1HG LYS 45 2HG LYS 45 -29.658 20.012 -12.390 185 2HG LYS 45 3HG LYS 45 -30.244 19.611 -10.774 186 1HD LYS 45 2HD LYS 45 -28.679 21.951 -10.535 187 2HD LYS 45 3HD LYS 45 -29.748 22.181 -11.921 188 1HE LYS 45 2HE LYS 45 -30.693 21.231 -9.223 189 2HE LYS 45 3HE LYS 45 -30.677 22.926 -9.707 190 1HZ LYS 45 1HZ LYS 45 -32.733 21.234 -10.096 191 2HZ LYS 45 2HZ LYS 45 -31.959 21.167 -11.599 192 3HZ LYS 45 3HZ LYS 45 -32.477 22.654 -10.981 193 H LEU 46 H LEU 46 -27.409 16.686 -10.403 194 HA LEU 46 HA LEU 46 -24.847 16.891 -9.393 195 1HB LEU 46 2HB LEU 46 -25.827 15.293 -8.189 196 2HB LEU 46 3HB LEU 46 -26.925 14.868 -9.500 197 HG LEU 46 HG LEU 46 -25.107 13.475 -10.483 198 1HD1 LEU 46 1HD1 LEU 46 -23.644 14.644 -8.226 199 2HD1 LEU 46 2HD1 LEU 46 -23.051 13.998 -9.755 200 3HD1 LEU 46 3HD1 LEU 46 -23.434 12.904 -8.426 201 1HD2 LEU 46 1HD2 LEU 46 -26.602 12.143 -9.390 202 2HD2 LEU 46 2HD2 LEU 46 -26.375 12.961 -7.844 203 3HD2 LEU 46 3HD2 LEU 46 -25.162 11.818 -8.425 204 H GLN 47 H GLN 47 -25.942 15.001 -12.199 205 HA GLN 47 HA GLN 47 -23.417 13.940 -12.857 206 1HB GLN 47 2HB GLN 47 -25.545 13.030 -13.709 207 2HB GLN 47 3HB GLN 47 -25.771 14.482 -14.676 208 1HG GLN 47 2HG GLN 47 -23.332 13.722 -15.522 209 2HG GLN 47 3HG GLN 47 -24.033 12.154 -15.127 210 1HE2 GLN 47 1HE2 GLN 47 -23.312 13.206 -17.719 211 2HE2 GLN 47 2HE2 GLN 47 -24.755 13.213 -18.668 212 H ALA 48 H ALA 48 -25.168 16.763 -14.125 213 HA ALA 48 HA ALA 48 -23.282 17.583 -16.005 214 1HB ALA 48 1HB ALA 48 -25.532 18.505 -15.912 215 2HB ALA 48 2HB ALA 48 -25.160 19.293 -14.378 216 3HB ALA 48 3HB ALA 48 -24.328 19.793 -15.850 217 H LEU 49 H LEU 49 -23.387 18.039 -12.536 218 HA LEU 49 HA LEU 49 -21.353 20.035 -12.425 219 1HB LEU 49 2HB LEU 49 -23.079 18.685 -10.602 220 2HB LEU 49 3HB LEU 49 -21.426 18.573 -10.001 221 HG LEU 49 HG LEU 49 -22.450 20.477 -8.997 222 1HD1 LEU 49 1HD1 LEU 49 -20.740 21.909 -9.319 223 2HD1 LEU 49 2HD1 LEU 49 -20.929 21.915 -11.072 224 3HD1 LEU 49 3HD1 LEU 49 -20.090 20.581 -10.281 225 1HD2 LEU 49 1HD2 LEU 49 -24.130 21.503 -10.022 226 2HD2 LEU 49 2HD2 LEU 49 -23.729 20.726 -11.554 227 3HD2 LEU 49 3HD2 LEU 49 -22.960 22.251 -11.109 228 H LEU 50 H LEU 50 -21.369 16.536 -11.774 229 HA LEU 50 HA LEU 50 -18.693 16.226 -11.114 230 1HB LEU 50 2HB LEU 50 -20.564 14.348 -12.542 231 2HB LEU 50 3HB LEU 50 -18.971 13.882 -11.949 232 HG LEU 50 HG LEU 50 -21.296 14.799 -10.257 233 1HD1 LEU 50 1HD1 LEU 50 -21.418 12.506 -11.327 234 2HD1 LEU 50 2HD1 LEU 50 -21.535 12.561 -9.568 235 3HD1 LEU 50 3HD1 LEU 50 -20.023 12.079 -10.336 236 1HD2 LEU 50 1HD2 LEU 50 -19.340 15.500 -9.150 237 2HD2 LEU 50 2HD2 LEU 50 -18.469 14.029 -9.584 238 3HD2 LEU 50 3HD2 LEU 50 -19.778 13.964 -8.402 239 H TYR 51 H TYR 51 -20.192 16.664 -14.227 240 HA TYR 51 HA TYR 51 -17.952 15.815 -15.781 241 1HB TYR 51 2HB TYR 51 -20.378 15.961 -16.549 242 2HB TYR 51 3HB TYR 51 -20.129 17.697 -16.687 243 HD1 TYR 51 HD1 TYR 51 -20.078 14.686 -18.446 244 HD2 TYR 51 HD2 TYR 51 -17.942 18.348 -18.081 245 HE1 TYR 51 HE1 TYR 51 -19.157 14.367 -20.704 246 HE2 TYR 51 HE2 TYR 51 -17.016 18.039 -20.339 247 HH TYR 51 HH TYR 51 -16.840 15.324 -21.898 248 H ALA 52 H ALA 52 -19.241 18.998 -14.859 249 HA ALA 52 HA ALA 52 -17.445 20.633 -16.163 250 1HB ALA 52 1HB ALA 52 -17.878 21.833 -13.662 251 2HB ALA 52 2HB ALA 52 -18.757 22.119 -15.165 252 3HB ALA 52 3HB ALA 52 -19.333 20.904 -14.024 253 H LEU 53 H LEU 53 -17.135 19.361 -12.845 254 HA LEU 53 HA LEU 53 -14.568 20.408 -12.372 255 1HB LEU 53 2HB LEU 53 -15.740 17.912 -11.161 256 2HB LEU 53 3HB LEU 53 -14.476 18.935 -10.481 257 HG LEU 53 HG LEU 53 -17.341 19.789 -10.885 258 1HD1 LEU 53 1HD1 LEU 53 -17.515 18.215 -9.201 259 2HD1 LEU 53 2HD1 LEU 53 -17.235 19.703 -8.298 260 3HD1 LEU 53 3HD1 LEU 53 -15.910 18.569 -8.561 261 1HD2 LEU 53 1HD2 LEU 53 -16.503 21.535 -9.162 262 2HD2 LEU 53 2HD2 LEU 53 -16.106 21.746 -10.867 263 3HD2 LEU 53 3HD2 LEU 53 -14.901 21.098 -9.754 264 H ALA 54 H ALA 54 -15.655 17.362 -13.765 265 HA ALA 54 HA ALA 54 -13.177 16.037 -13.805 266 1HB ALA 54 1HB ALA 54 -14.183 14.607 -15.530 267 2HB ALA 54 2HB ALA 54 -15.268 14.859 -14.162 268 3HB ALA 54 3HB ALA 54 -15.529 15.737 -15.668 269 H SER 55 H SER 55 -14.827 17.857 -16.392 270 HA SER 55 HA SER 55 -12.816 17.667 -18.308 271 1HB SER 55 2HB SER 55 -13.865 19.615 -19.371 272 2HB SER 55 3HB SER 55 -15.088 18.480 -18.801 273 HG SER 55 HG SER 55 -15.872 20.109 -17.746 274 H SER 56 H SER 56 -13.131 19.782 -15.549 275 HA SER 56 HA SER 56 -11.284 21.762 -16.247 276 1HB SER 56 2HB SER 56 -12.651 20.885 -13.836 277 2HB SER 56 3HB SER 56 -11.012 21.436 -13.490 278 HG SER 56 HG SER 56 -11.566 23.415 -13.987 279 H GLN 57 H GLN 57 -10.819 18.475 -15.377 280 HA GLN 57 HA GLN 57 -7.927 18.938 -15.067 281 1HB GLN 57 2HB GLN 57 -9.664 16.702 -14.015 282 2HB GLN 57 3HB GLN 57 -7.906 16.692 -13.943 283 1HG GLN 57 2HG GLN 57 -9.462 18.959 -12.772 284 2HG GLN 57 3HG GLN 57 -9.252 17.452 -11.881 285 1HE2 GLN 57 1HE2 GLN 57 -6.748 16.709 -12.377 286 2HE2 GLN 57 2HE2 GLN 57 -5.618 17.899 -11.835 287 HN2 GLY 58 H GLY 58 -9.893 16.094 -15.925 288 1HA GLY 58 2HA GLY 58 -8.235 15.831 -18.358 289 2HA GLY 58 3HA GLY 58 -8.736 14.452 -17.391 290 H ASP 59 H ASP 59 -9.290 14.291 -19.981 291 HA ASP 59 HA ASP 59 -11.865 15.383 -20.638 292 1HB ASP 59 2HB ASP 59 -10.168 13.282 -21.999 293 2HB ASP 59 3HB ASP 59 -11.673 13.921 -22.656 294 H ILE 60 H ILE 60 -13.829 14.338 -20.729 295 HA ILE 60 HA ILE 60 -13.977 11.828 -19.203 296 HB ILE 60 HB ILE 60 -16.169 13.839 -19.727 297 1HG1 ILE 60 2HG1 ILE 60 -15.771 13.908 -17.055 298 2HG1 ILE 60 3HG1 ILE 60 -14.130 13.569 -17.593 299 1HG2 ILE 60 1HG2 ILE 60 -16.241 11.134 -18.850 300 2HG2 ILE 60 2HG2 ILE 60 -16.702 12.173 -17.503 301 3HG2 ILE 60 3HG2 ILE 60 -17.576 12.273 -19.031 302 1HD1 ILE 60 1HD1 ILE 60 -13.891 15.746 -17.902 303 2HD1 ILE 60 2HD1 ILE 60 -15.016 15.612 -19.254 304 3HD1 ILE 60 3HD1 ILE 60 -15.612 16.033 -17.649 305 H LEU 61 H LEU 61 -14.807 10.025 -20.086 306 HA LEU 61 HA LEU 61 -15.638 10.163 -22.892 307 1HB LEU 61 2HB LEU 61 -15.100 7.632 -21.387 308 2HB LEU 61 3HB LEU 61 -14.994 7.935 -23.119 309 HG LEU 61 HG LEU 61 -13.051 8.799 -20.984 310 1HD1 LEU 61 1HD1 LEU 61 -13.160 6.417 -22.123 311 2HD1 LEU 61 2HD1 LEU 61 -11.625 7.221 -21.797 312 3HD1 LEU 61 3HD1 LEU 61 -12.316 7.266 -23.418 313 1HD2 LEU 61 1HD2 LEU 61 -12.887 10.624 -22.341 314 2HD2 LEU 61 2HD2 LEU 61 -13.462 9.758 -23.766 315 3HD2 LEU 61 3HD2 LEU 61 -11.806 9.528 -23.202 316 H ASP 62 H ASP 62 -16.794 9.424 -19.716 317 HA ASP 62 HA ASP 62 -19.491 9.533 -20.424 318 1HB ASP 62 2HB ASP 62 -19.377 7.460 -21.531 319 2HB ASP 62 3HB ASP 62 -18.315 6.766 -20.310 320 H ILE 63 H ILE 63 -20.481 10.161 -18.629 321 HA ILE 63 HA ILE 63 -19.276 9.459 -16.044 322 HB ILE 63 HB ILE 63 -21.232 11.667 -16.694 323 1HG1 ILE 63 2HG1 ILE 63 -18.256 11.742 -16.151 324 2HG1 ILE 63 3HG1 ILE 63 -19.042 12.081 -17.690 325 1HG2 ILE 63 1HG2 ILE 63 -20.603 10.455 -14.237 326 2HG2 ILE 63 2HG2 ILE 63 -19.789 12.019 -14.248 327 3HG2 ILE 63 3HG2 ILE 63 -21.531 11.930 -14.510 328 1HD1 ILE 63 1HD1 ILE 63 -19.100 13.709 -15.174 329 2HD1 ILE 63 2HD1 ILE 63 -18.505 14.167 -16.770 330 3HD1 ILE 63 3HD1 ILE 63 -20.236 13.967 -16.498 331 H VAL 64 H VAL 64 -20.195 7.755 -15.112 332 HA VAL 64 HA VAL 64 -23.049 7.244 -15.509 333 HB VAL 64 HB VAL 64 -20.947 5.505 -14.211 334 1HG1 VAL 64 1HG1 VAL 64 -22.884 3.794 -14.834 335 2HG1 VAL 64 2HG1 VAL 64 -22.842 4.646 -13.289 336 3HG1 VAL 64 3HG1 VAL 64 -23.875 5.233 -14.593 337 1HG2 VAL 64 1HG2 VAL 64 -20.957 4.213 -16.234 338 2HG2 VAL 64 2HG2 VAL 64 -22.236 5.214 -16.921 339 3HG2 VAL 64 3HG2 VAL 64 -20.633 5.896 -16.649 340 H VAL 65 H VAL 65 -24.515 7.098 -13.836 341 HA VAL 65 HA VAL 65 -23.580 7.730 -11.130 342 HB VAL 65 HB VAL 65 -25.911 9.162 -12.408 343 1HG1 VAL 65 1HG1 VAL 65 -26.461 9.545 -10.283 344 2HG1 VAL 65 2HG1 VAL 65 -24.933 8.890 -9.691 345 3HG1 VAL 65 3HG1 VAL 65 -25.033 10.576 -10.199 346 1HG2 VAL 65 1HG2 VAL 65 -23.067 10.046 -11.970 347 2HG2 VAL 65 2HG2 VAL 65 -23.971 10.001 -13.484 348 3HG2 VAL 65 3HG2 VAL 65 -24.397 11.174 -12.238 349 H ASP 66 H ASP 66 -24.650 6.677 -9.549 350 HA ASP 66 HA ASP 66 -26.306 4.495 -10.172 351 1HB ASP 66 2HB ASP 66 -24.901 5.307 -7.958 352 2HB ASP 66 3HB ASP 66 -26.569 5.521 -7.433 353 H LEU 67 H LEU 67 -28.346 4.561 -8.269 354 HA LEU 67 HA LEU 67 -30.269 6.243 -9.661 355 1HB LEU 67 2HB LEU 67 -31.909 4.981 -8.192 356 2HB LEU 67 3HB LEU 67 -31.032 4.050 -9.404 357 HG LEU 67 HG LEU 67 -31.362 3.061 -7.038 358 1HD1 LEU 67 1HD1 LEU 67 -29.957 1.618 -7.963 359 2HD1 LEU 67 2HD1 LEU 67 -28.617 2.591 -7.355 360 3HD1 LEU 67 3HD1 LEU 67 -29.254 2.882 -8.974 361 1HD2 LEU 67 1HD2 LEU 67 -29.693 3.649 -5.413 362 2HD2 LEU 67 2HD2 LEU 67 -30.579 5.104 -5.868 363 3HD2 LEU 67 3HD2 LEU 67 -28.965 4.814 -6.519 364 H SER 68 H SER 68 -28.208 7.036 -7.457 365 HA SER 68 HA SER 68 -28.094 8.463 -5.682 366 1HB SER 68 2HB SER 68 -30.707 9.664 -6.532 367 2HB SER 68 3HB SER 68 -29.245 10.466 -5.959 368 HG SER 68 HG SER 68 -28.261 9.915 -7.950 369 H ASP 69 H ASP 69 -28.821 6.238 -4.637 370 HA ASP 69 HA ASP 69 -31.380 6.016 -3.499 371 1HB ASP 69 2HB ASP 69 -29.033 4.499 -3.514 372 2HB ASP 69 3HB ASP 69 -29.313 4.873 -1.815 373 H ASP 70 H ASP 70 -31.090 5.666 -0.806 374 HA ASP 70 HA ASP 70 -30.656 8.426 0.109 375 1HB ASP 70 2HB ASP 70 -32.613 6.317 0.789 376 2HB ASP 70 3HB ASP 70 -32.017 7.268 2.147 377 H ASN 71 H ASN 71 -29.502 5.221 0.391 378 HA ASN 71 HA ASN 71 -27.824 6.019 2.680 379 1HB ASN 71 2HB ASN 71 -27.714 3.396 2.972 380 2HB ASN 71 3HB ASN 71 -29.053 4.323 3.643 381 1HD2 ASN 71 1HD2 ASN 71 -31.038 3.737 3.116 382 2HD2 ASN 71 2HD2 ASN 71 -31.464 2.666 1.828 383 H SER 72 H SER 72 -27.893 5.196 -0.555 384 HA SER 72 HA SER 72 -25.193 4.062 -0.552 385 1HB SER 72 2HB SER 72 -27.170 4.383 -2.824 386 2HB SER 72 3HB SER 72 -25.607 3.573 -2.931 387 HG SER 72 HG SER 72 -27.518 2.204 -2.558 388 HN2 GLY 73 H GLY 73 -26.829 6.295 -2.792 389 1HA GLY 73 2HA GLY 73 -26.040 8.166 -3.873 390 2HA GLY 73 3HA GLY 73 -25.429 8.609 -2.286 391 H LYS 74 H LYS 74 -24.654 7.093 -5.345 392 HA LYS 74 HA LYS 74 -21.858 7.783 -4.953 393 1HB LYS 74 2HB LYS 74 -21.025 5.571 -5.509 394 2HB LYS 74 3HB LYS 74 -22.042 5.481 -4.077 395 1HG LYS 74 2HG LYS 74 -23.780 5.032 -6.197 396 2HG LYS 74 3HG LYS 74 -22.313 4.146 -6.620 397 1HD LYS 74 2HD LYS 74 -22.661 3.590 -3.935 398 2HD LYS 74 3HD LYS 74 -24.306 3.588 -4.576 399 1HE LYS 74 2HE LYS 74 -23.499 2.055 -6.386 400 2HE LYS 74 3HE LYS 74 -21.962 1.950 -5.529 401 1HZ LYS 74 1HZ LYS 74 -24.207 1.441 -3.828 402 2HZ LYS 74 2HZ LYS 74 -22.812 0.517 -4.076 403 3HZ LYS 74 3HZ LYS 74 -24.131 0.356 -5.124 404 H ALA 75 H ALA 75 -20.610 7.047 -7.052 405 HA ALA 75 HA ALA 75 -22.086 6.885 -9.474 406 1HB ALA 75 1HB ALA 75 -21.318 9.151 -10.337 407 2HB ALA 75 2HB ALA 75 -22.666 9.146 -9.199 408 3HB ALA 75 3HB ALA 75 -21.048 9.580 -8.648 409 H TYR 76 H TYR 76 -20.533 7.484 -11.397 410 HA TYR 76 HA TYR 76 -17.744 6.924 -10.743 411 1HB TYR 76 2HB TYR 76 -19.010 5.295 -12.914 412 2HB TYR 76 3HB TYR 76 -17.557 4.965 -11.977 413 HD1 TYR 76 HD1 TYR 76 -21.237 4.857 -11.953 414 HD2 TYR 76 HD2 TYR 76 -17.674 3.827 -9.867 415 HE1 TYR 76 HE1 TYR 76 -22.538 3.392 -10.467 416 HE2 TYR 76 HE2 TYR 76 -18.965 2.358 -8.376 417 HH TYR 76 HH TYR 76 -22.446 1.868 -8.841 418 H ILE 77 H ILE 77 -16.422 8.129 -11.935 419 HA ILE 77 HA ILE 77 -17.506 9.385 -14.367 420 HB ILE 77 HB ILE 77 -15.155 10.371 -12.759 421 1HG1 ILE 77 2HG1 ILE 77 -18.044 11.257 -12.595 422 2HG1 ILE 77 3HG1 ILE 77 -17.180 10.356 -11.354 423 1HG2 ILE 77 1HG2 ILE 77 -16.776 12.236 -14.331 424 2HG2 ILE 77 2HG2 ILE 77 -15.025 12.074 -14.212 425 3HG2 ILE 77 3HG2 ILE 77 -15.938 11.013 -15.285 426 1HD1 ILE 77 1HD1 ILE 77 -16.376 13.090 -12.308 427 2HD1 ILE 77 2HD1 ILE 77 -17.399 12.786 -10.903 428 3HD1 ILE 77 3HD1 ILE 77 -15.735 12.202 -10.926 429 H VAL 78 H VAL 78 -16.809 8.450 -16.167 430 HA VAL 78 HA VAL 78 -14.287 7.013 -16.220 431 HB VAL 78 HB VAL 78 -16.213 7.419 -18.507 432 1HG1 VAL 78 1HG1 VAL 78 -13.669 6.292 -18.400 433 2HG1 VAL 78 2HG1 VAL 78 -14.776 4.917 -18.412 434 3HG1 VAL 78 3HG1 VAL 78 -14.852 6.124 -19.697 435 1HG2 VAL 78 1HG2 VAL 78 -17.214 5.286 -17.901 436 2HG2 VAL 78 2HG2 VAL 78 -16.157 5.171 -16.494 437 3HG2 VAL 78 3HG2 VAL 78 -17.378 6.442 -16.578 438 H PHE 79 H PHE 79 -12.432 7.839 -16.913 439 HA PHE 79 HA PHE 79 -12.502 10.370 -18.410 440 1HB PHE 79 2HB PHE 79 -10.479 9.191 -16.518 441 2HB PHE 79 3HB PHE 79 -10.051 10.493 -17.623 442 HD1 PHE 79 HD1 PHE 79 -11.807 9.587 -14.585 443 HD2 PHE 79 HD2 PHE 79 -11.096 12.706 -17.393 444 HE1 PHE 79 HE1 PHE 79 -12.680 11.231 -12.975 445 HE2 PHE 79 HE2 PHE 79 -11.966 14.354 -15.787 446 HZ PHE 79 HZ PHE 79 -12.759 13.618 -13.575 447 H ALA 80 H ALA 80 -10.313 10.623 -19.706 448 HA ALA 80 HA ALA 80 -10.440 8.827 -21.859 449 1HB ALA 80 1HB ALA 80 -9.007 11.225 -21.198 450 2HB ALA 80 2HB ALA 80 -7.927 10.063 -21.970 451 3HB ALA 80 3HB ALA 80 -9.410 10.563 -22.782 452 H THR 81 H THR 81 -8.180 9.065 -19.145 453 HA THR 81 HA THR 81 -7.569 6.279 -19.279 454 HB THR 81 HB THR 81 -4.989 7.544 -19.480 455 HG1 THR 81 HG1 THR 81 -5.124 8.301 -21.585 456 1HG2 THR 81 1HG2 THR 81 -4.495 5.634 -20.572 457 2HG2 THR 81 2HG2 THR 81 -5.893 5.766 -21.639 458 3HG2 THR 81 3HG2 THR 81 -6.083 5.111 -20.013 459 H GLN 82 H GLN 82 -5.760 5.734 -17.679 460 HA GLN 82 HA GLN 82 -6.418 6.642 -15.156 461 1HB GLN 82 2HB GLN 82 -4.874 4.646 -16.063 462 2HB GLN 82 3HB GLN 82 -3.612 5.767 -15.571 463 1HG GLN 82 2HG GLN 82 -5.738 5.391 -13.594 464 2HG GLN 82 3HG GLN 82 -4.797 3.944 -13.951 465 1HE2 GLN 82 1HE2 GLN 82 -4.244 4.283 -11.636 466 2HE2 GLN 82 2HE2 GLN 82 -2.883 5.284 -11.277 467 H GLU 83 H GLU 83 -4.194 7.987 -17.470 468 HA GLU 83 HA GLU 83 -2.640 9.594 -15.794 469 1HB GLU 83 2HB GLU 83 -3.279 9.491 -18.658 470 2HB GLU 83 3HB GLU 83 -2.864 11.097 -18.076 471 1HG GLU 83 2HG GLU 83 -1.157 8.677 -17.575 472 2HG GLU 83 3HG GLU 83 -0.963 9.729 -18.976 473 H SER 84 H SER 84 -5.646 10.386 -17.528 474 HA SER 84 HA SER 84 -5.847 12.992 -16.379 475 1HB SER 84 2HB SER 84 -7.436 11.322 -18.218 476 2HB SER 84 3HB SER 84 -8.379 12.446 -17.240 477 HG SER 84 HG SER 84 -6.066 13.305 -18.603 478 H ALA 85 H ALA 85 -7.468 9.893 -15.774 479 HA ALA 85 HA ALA 85 -9.279 10.681 -13.838 480 1HB ALA 85 1HB ALA 85 -9.727 8.505 -13.759 481 2HB ALA 85 2HB ALA 85 -8.403 8.264 -14.899 482 3HB ALA 85 3HB ALA 85 -8.110 8.127 -13.166 483 H GLN 86 H GLN 86 -6.002 9.382 -13.267 484 HA GLN 86 HA GLN 86 -5.955 9.721 -10.509 485 1HB GLN 86 2HB GLN 86 -4.260 8.421 -11.640 486 2HB GLN 86 3HB GLN 86 -3.691 9.842 -12.506 487 1HG GLN 86 2HG GLN 86 -2.882 10.824 -10.469 488 2HG GLN 86 3HG GLN 86 -3.577 9.513 -9.518 489 1HE2 GLN 86 1HE2 GLN 86 -2.119 8.133 -8.839 490 2HE2 GLN 86 2HE2 GLN 86 -0.690 7.653 -9.681 491 H ALA 87 H ALA 87 -5.360 12.024 -13.082 492 HA ALA 87 HA ALA 87 -4.191 14.062 -11.515 493 1HB ALA 87 1HB ALA 87 -4.457 15.467 -13.373 494 2HB ALA 87 2HB ALA 87 -4.239 13.855 -14.055 495 3HB ALA 87 3HB ALA 87 -5.851 14.564 -13.966 496 H PHE 88 H PHE 88 -7.551 13.452 -12.493 497 HA PHE 88 HA PHE 88 -8.578 15.736 -11.116 498 1HB PHE 88 2HB PHE 88 -9.835 14.942 -12.982 499 2HB PHE 88 3HB PHE 88 -9.894 13.307 -12.330 500 HD1 PHE 88 HD1 PHE 88 -11.330 16.649 -12.207 501 HD2 PHE 88 HD2 PHE 88 -11.401 12.750 -10.500 502 HE1 PHE 88 HE1 PHE 88 -13.488 17.158 -11.141 503 HE2 PHE 88 HE2 PHE 88 -13.559 13.253 -9.432 504 HZ PHE 88 HZ PHE 88 -14.606 15.459 -9.752 505 H VAL 89 H VAL 89 -8.113 12.352 -10.342 506 HA VAL 89 HA VAL 89 -9.707 12.285 -8.002 507 HB VAL 89 HB VAL 89 -7.340 10.576 -8.778 508 1HG1 VAL 89 1HG1 VAL 89 -9.074 10.603 -6.394 509 2HG1 VAL 89 2HG1 VAL 89 -8.797 9.023 -7.129 510 3HG1 VAL 89 3HG1 VAL 89 -7.429 10.002 -6.597 511 1HG2 VAL 89 1HG2 VAL 89 -8.738 9.280 -9.974 512 2HG2 VAL 89 2HG2 VAL 89 -10.064 9.474 -8.828 513 3HG2 VAL 89 3HG2 VAL 89 -9.744 10.728 -10.026 514 H GLU 90 H GLU 90 -6.284 12.973 -8.571 515 HA GLU 90 HA GLU 90 -5.737 13.320 -5.758 516 1HB GLU 90 2HB GLU 90 -3.493 13.678 -6.375 517 2HB GLU 90 3HB GLU 90 -4.086 12.471 -7.507 518 1HG GLU 90 2HG GLU 90 -3.147 13.788 -9.047 519 2HG GLU 90 3HG GLU 90 -4.619 14.742 -8.871 520 H ALA 91 H ALA 91 -6.689 15.291 -8.434 521 HA ALA 91 HA ALA 91 -5.866 17.793 -7.300 522 1HB ALA 91 1HB ALA 91 -6.057 17.626 -9.684 523 2HB ALA 91 2HB ALA 91 -7.750 17.144 -9.561 524 3HB ALA 91 3HB ALA 91 -7.262 18.777 -9.106 525 H PHE 92 H PHE 92 -8.616 15.727 -6.996 526 HA PHE 92 HA PHE 92 -9.962 17.791 -5.380 527 1HB PHE 92 2HB PHE 92 -11.154 15.720 -7.220 528 2HB PHE 92 3HB PHE 92 -12.102 16.537 -5.982 529 HD1 PHE 92 HD1 PHE 92 -13.311 18.363 -6.644 530 HD2 PHE 92 HD2 PHE 92 -9.714 17.418 -8.714 531 HE1 PHE 92 HE1 PHE 92 -13.711 20.237 -8.187 532 HE2 PHE 92 HE2 PHE 92 -10.108 19.291 -10.260 533 HZ PHE 92 HZ PHE 92 -12.108 20.704 -9.997 534 H GLN 93 H GLN 93 -8.150 15.202 -5.052 535 HA GLN 93 HA GLN 93 -9.442 13.258 -3.622 536 1HB GLN 93 2HB GLN 93 -7.156 12.918 -4.073 537 2HB GLN 93 3HB GLN 93 -6.692 14.435 -3.314 538 1HG GLN 93 2HG GLN 93 -6.049 12.529 -1.953 539 2HG GLN 93 3HG GLN 93 -7.243 13.531 -1.128 540 1HE2 GLN 93 1HE2 GLN 93 -8.275 12.126 0.137 541 2HE2 GLN 93 2HE2 GLN 93 -9.067 10.691 -0.408 542 HN2 GLY 94 H GLY 94 -8.560 16.483 -2.567 543 1HA GLY 94 2HA GLY 94 -10.133 16.026 -0.122 544 2HA GLY 94 3HA GLY 94 -8.536 16.748 -0.001 545 H TYR 95 H TYR 95 -11.489 17.207 -1.951 546 HA TYR 95 HA TYR 95 -11.294 20.086 -1.362 547 1HB TYR 95 2HB TYR 95 -10.621 19.739 -3.668 548 2HB TYR 95 3HB TYR 95 -12.067 18.786 -3.981 549 HD1 TYR 95 HD1 TYR 95 -10.672 22.121 -3.726 550 HD2 TYR 95 HD2 TYR 95 -14.288 19.901 -4.038 551 HE1 TYR 95 HE1 TYR 95 -11.861 24.164 -4.407 552 HE2 TYR 95 HE2 TYR 95 -15.487 21.937 -4.721 553 HH TYR 95 HH TYR 95 -13.791 25.042 -5.054 554 HA PRO 96 HA PRO 96 -15.404 19.608 0.176 555 1HB PRO 96 2HB PRO 96 -16.078 22.237 0.259 556 2HB PRO 96 3HB PRO 96 -14.981 21.488 1.426 557 1HG PRO 96 2HG PRO 96 -14.339 23.118 -1.002 558 2HG PRO 96 3HG PRO 96 -13.614 23.186 0.615 559 1HD PRO 96 2HD PRO 96 -12.432 21.908 -1.460 560 2HD PRO 96 3HD PRO 96 -12.260 21.363 0.221 561 H PHE 97 H PHE 97 -16.709 18.675 -1.326 562 HA PHE 97 HA PHE 97 -17.960 20.474 -3.284 563 1HB PHE 97 2HB PHE 97 -16.378 19.125 -4.530 564 2HB PHE 97 3HB PHE 97 -17.003 17.652 -3.796 565 HD1 PHE 97 HD1 PHE 97 -18.463 20.601 -5.565 566 HD2 PHE 97 HD2 PHE 97 -18.238 16.364 -5.223 567 HE1 PHE 97 HE1 PHE 97 -20.070 20.370 -7.414 568 HE2 PHE 97 HE2 PHE 97 -19.844 16.126 -7.072 569 HZ PHE 97 HZ PHE 97 -20.761 18.130 -8.170 570 H GLN 98 H GLN 98 -20.132 20.326 -3.435 571 HA GLN 98 HA GLN 98 -22.260 19.839 -2.781 572 1HB GLN 98 2HB GLN 98 -21.056 17.116 -3.204 573 2HB GLN 98 3HB GLN 98 -22.739 17.306 -2.729 574 1HG GLN 98 2HG GLN 98 -21.729 18.822 -5.081 575 2HG GLN 98 3HG GLN 98 -22.055 17.098 -5.246 576 1HE2 GLN 98 1HE2 GLN 98 -23.380 19.436 -6.438 577 2HE2 GLN 98 2HE2 GLN 98 -25.047 19.296 -6.006 578 HN2 GLY 99 H GLY 99 -20.284 20.287 -0.670 579 1HA GLY 99 2HA GLY 99 -21.566 20.223 1.615 580 2HA GLY 99 3HA GLY 99 -21.205 18.509 1.469 581 H ASN 100 H ASN 100 -18.882 17.941 1.199 582 HA ASN 100 HA ASN 100 -16.772 19.671 1.711 583 1HB ASN 100 2HB ASN 100 -17.308 20.239 3.859 584 2HB ASN 100 3HB ASN 100 -18.237 18.767 4.129 585 1HD2 ASN 100 1HD2 ASN 100 -17.378 17.891 5.883 586 2HD2 ASN 100 2HD2 ASN 100 -15.702 17.539 6.111 587 HA PRO 101 HA PRO 101 -15.347 15.160 2.689 588 1HB PRO 101 2HB PRO 101 -17.274 13.258 2.884 589 2HB PRO 101 3HB PRO 101 -16.711 14.200 4.269 590 1HG PRO 101 2HG PRO 101 -19.154 14.585 2.582 591 2HG PRO 101 3HG PRO 101 -18.984 14.685 4.345 592 1HD PRO 101 2HD PRO 101 -19.066 16.881 2.762 593 2HD PRO 101 3HD PRO 101 -18.125 16.823 4.267 594 H LEU 102 H LEU 102 -14.534 15.101 0.628 595 HA LEU 102 HA LEU 102 -16.250 13.878 -1.433 596 1HB LEU 102 2HB LEU 102 -15.138 16.318 -1.594 597 2HB LEU 102 3HB LEU 102 -13.822 15.349 -2.254 598 HG LEU 102 HG LEU 102 -16.590 15.747 -3.348 599 1HD1 LEU 102 1HD1 LEU 102 -14.991 17.372 -4.062 600 2HD1 LEU 102 2HD1 LEU 102 -15.271 16.257 -5.399 601 3HD1 LEU 102 3HD1 LEU 102 -13.804 16.120 -4.430 602 1HD2 LEU 102 1HD2 LEU 102 -16.493 13.487 -3.696 603 2HD2 LEU 102 2HD2 LEU 102 -14.730 13.455 -3.735 604 3HD2 LEU 102 3HD2 LEU 102 -15.633 14.059 -5.125 605 H VAL 103 H VAL 103 -15.684 11.906 -2.048 606 HA VAL 103 HA VAL 103 -12.896 11.046 -1.620 607 HB VAL 103 HB VAL 103 -14.470 9.850 -0.168 608 1HG1 VAL 103 1HG1 VAL 103 -15.741 8.286 -2.267 609 2HG1 VAL 103 2HG1 VAL 103 -16.444 9.051 -0.840 610 3HG1 VAL 103 3HG1 VAL 103 -16.193 9.989 -2.313 611 1HG2 VAL 103 1HG2 VAL 103 -12.429 8.777 -1.358 612 2HG2 VAL 103 2HG2 VAL 103 -13.576 7.739 -0.510 613 3HG2 VAL 103 3HG2 VAL 103 -13.647 7.881 -2.266 614 H ILE 104 H ILE 104 -11.775 10.416 -3.348 615 HA ILE 104 HA ILE 104 -13.225 9.573 -5.759 616 HB ILE 104 HB ILE 104 -11.152 10.827 -6.915 617 1HG1 ILE 104 2HG1 ILE 104 -10.605 11.654 -4.485 618 2HG1 ILE 104 3HG1 ILE 104 -10.456 12.761 -5.845 619 1HG2 ILE 104 1HG2 ILE 104 -13.831 11.961 -6.146 620 2HG2 ILE 104 2HG2 ILE 104 -12.740 12.745 -7.287 621 3HG2 ILE 104 3HG2 ILE 104 -13.387 11.144 -7.644 622 1HD1 ILE 104 1HD1 ILE 104 -12.268 13.993 -5.215 623 2HD1 ILE 104 2HD1 ILE 104 -13.041 12.641 -4.387 624 3HD1 ILE 104 3HD1 ILE 104 -11.675 13.468 -3.639 625 H THR 105 H THR 105 -12.494 7.706 -6.521 626 HA THR 105 HA THR 105 -9.668 7.024 -6.262 627 HB THR 105 HB THR 105 -10.478 4.634 -5.592 628 HG1 THR 105 HG1 THR 105 -12.383 4.599 -4.447 629 1HG2 THR 105 1HG2 THR 105 -9.055 6.161 -4.231 630 2HG2 THR 105 2HG2 THR 105 -10.120 5.140 -3.264 631 3HG2 THR 105 3HG2 THR 105 -10.525 6.836 -3.528 632 H PHE 106 H PHE 106 -9.196 4.926 -7.455 633 HA PHE 106 HA PHE 106 -10.450 5.095 -10.057 634 1HB PHE 106 2HB PHE 106 -8.251 3.221 -9.170 635 2HB PHE 106 3HB PHE 106 -8.677 3.657 -10.822 636 HD1 PHE 106 HD1 PHE 106 -7.010 4.739 -7.757 637 HD2 PHE 106 HD2 PHE 106 -8.026 5.789 -11.755 638 HE1 PHE 106 HE1 PHE 106 -5.383 6.583 -7.682 639 HE2 PHE 106 HE2 PHE 106 -6.400 7.633 -11.687 640 HZ PHE 106 HZ PHE 106 -5.075 8.032 -9.650 641 H SER 107 H SER 107 -10.490 2.687 -11.127 642 HA SER 107 HA SER 107 -11.847 0.813 -9.362 643 1HB SER 107 2HB SER 107 -13.369 2.627 -10.795 644 2HB SER 107 3HB SER 107 -13.383 1.192 -11.821 645 HG SER 107 HG SER 107 -13.864 0.111 -9.652 646 H GLU 108 H GLU 108 -12.781 -1.022 -11.033 647 HA GLU 108 HA GLU 108 -10.408 -1.815 -12.578 648 1HB GLU 108 2HB GLU 108 -12.603 -3.509 -11.371 649 2HB GLU 108 3HB GLU 108 -11.263 -4.131 -12.325 650 1HG GLU 108 2HG GLU 108 -10.264 -4.433 -10.358 651 2HG GLU 108 3HG GLU 108 -9.952 -2.700 -10.423 652 H THR 109 H THR 109 -10.592 -2.548 -14.673 653 HA THR 109 HA THR 109 -13.249 -2.338 -15.922 654 HB THR 109 HB THR 109 -12.012 -1.457 -17.979 655 HG1 THR 109 HG1 THR 109 -10.042 -1.022 -15.967 656 1HG2 THR 109 1HG2 THR 109 -13.483 -0.081 -16.541 657 2HG2 THR 109 2HG2 THR 109 -12.146 0.844 -17.226 658 3HG2 THR 109 3HG2 THR 109 -12.088 0.324 -15.542 659 HA PRO 110 HA PRO 110 -11.235 -6.409 -16.911 660 1HB PRO 110 2HB PRO 110 -13.455 -7.893 -16.419 661 2HB PRO 110 3HB PRO 110 -12.298 -7.448 -15.159 662 1HG PRO 110 2HG PRO 110 -14.930 -6.196 -15.841 663 2HG PRO 110 3HG PRO 110 -14.248 -6.570 -14.247 664 1HD PRO 110 2HD PRO 110 -14.199 -4.078 -15.305 665 2HD PRO 110 3HD PRO 110 -12.920 -4.686 -14.235 666 H GLN 111 H GLN 111 -12.554 -8.251 -18.258 667 HA GLN 111 HA GLN 111 -13.418 -8.828 -20.281 668 1HB GLN 111 2HB GLN 111 -15.283 -7.139 -19.154 669 2HB GLN 111 3HB GLN 111 -15.001 -6.408 -20.729 670 1HG GLN 111 2HG GLN 111 -15.706 -8.330 -21.871 671 2HG GLN 111 3HG GLN 111 -15.601 -9.329 -20.421 672 1HE2 GLN 111 1HE2 GLN 111 -17.784 -8.442 -22.412 673 2HE2 GLN 111 2HE2 GLN 111 -19.107 -8.029 -21.380 674 H SER 112 H SER 112 -11.022 -7.122 -20.048 675 HA SER 112 HA SER 112 -11.124 -5.496 -22.467 676 1HB SER 112 2HB SER 112 -9.997 -4.486 -20.586 677 2HB SER 112 3HB SER 112 -8.962 -5.899 -20.389 678 HG SER 112 HG SER 112 -8.978 -4.057 -22.545 679 H GLN 113 H GLN 113 -9.604 -8.417 -21.224 680 HA GLN 113 HA GLN 113 -7.795 -8.899 -23.292 681 1HB GLN 113 2HB GLN 113 -7.930 -11.278 -22.598 682 2HB GLN 113 3HB GLN 113 -7.705 -10.176 -21.246 683 1HG GLN 113 2HG GLN 113 -10.297 -10.290 -21.073 684 2HG GLN 113 3HG GLN 113 -10.104 -11.773 -22.007 685 1HE2 GLN 113 1HE2 GLN 113 -9.250 -10.145 -19.023 686 2HE2 GLN 113 2HE2 GLN 113 -8.899 -11.576 -18.121 687 H VAL 114 H VAL 114 -11.210 -9.771 -22.986 688 HA VAL 114 HA VAL 114 -11.309 -11.239 -25.431 689 HB VAL 114 HB VAL 114 -13.722 -11.232 -25.156 690 1HG1 VAL 114 1HG1 VAL 114 -12.007 -12.506 -23.572 691 2HG1 VAL 114 2HG1 VAL 114 -12.833 -11.544 -22.344 692 3HG1 VAL 114 3HG1 VAL 114 -13.754 -12.643 -23.373 693 1HG2 VAL 114 1HG2 VAL 114 -13.132 -9.035 -23.217 694 2HG2 VAL 114 2HG2 VAL 114 -14.353 -9.110 -24.487 695 3HG2 VAL 114 3HG2 VAL 114 -14.567 -10.038 -23.003 696 H ALA 115 H ALA 115 -11.595 -7.894 -24.579 697 HA ALA 115 HA ALA 115 -12.982 -7.041 -26.920 698 1HB ALA 115 1HB ALA 115 -12.641 -4.852 -26.164 699 2HB ALA 115 2HB ALA 115 -12.776 -5.813 -24.691 700 3HB ALA 115 3HB ALA 115 -11.190 -5.294 -25.263 701 H GLU 116 H GLU 116 -9.612 -7.495 -26.069 702 HA GLU 116 HA GLU 116 -8.353 -6.043 -28.062 703 1HB GLU 116 2HB GLU 116 -7.657 -8.222 -26.277 704 2HB GLU 116 3HB GLU 116 -6.850 -8.384 -27.830 705 1HG GLU 116 2HG GLU 116 -5.334 -6.943 -27.123 706 2HG GLU 116 3HG GLU 116 -6.579 -5.695 -27.136 707 H ASP 117 H ASP 117 -9.835 -9.234 -28.216 708 HA ASP 117 HA ASP 117 -10.325 -10.624 -29.951 709 1HB ASP 117 2HB ASP 117 -10.573 -7.886 -31.100 710 2HB ASP 117 3HB ASP 117 -10.607 -9.248 -32.217 Start of MODEL 14 1 H THR 22 H THR 22 7.504 5.083 -7.230 2 HA THR 22 HA THR 22 8.862 3.041 -8.776 3 HB THR 22 HB THR 22 8.040 2.413 -5.937 4 HG1 THR 22 HG1 THR 22 9.884 3.589 -5.719 5 1HG2 THR 22 1HG2 THR 22 9.557 0.825 -8.012 6 2HG2 THR 22 2HG2 THR 22 7.909 0.517 -7.463 7 3HG2 THR 22 3HG2 THR 22 9.262 0.316 -6.350 8 HA PRO 23 HA PRO 23 4.205 3.185 -9.098 9 1HB PRO 23 2HB PRO 23 4.145 3.430 -11.801 10 2HB PRO 23 3HB PRO 23 4.250 4.819 -10.713 11 1HG PRO 23 2HG PRO 23 6.426 3.436 -12.235 12 2HG PRO 23 3HG PRO 23 6.150 5.173 -12.007 13 1HD PRO 23 2HD PRO 23 7.981 3.788 -10.572 14 2HD PRO 23 3HD PRO 23 7.096 5.175 -9.905 15 HA PRO 24 HA PRO 24 4.726 -1.218 -9.955 16 1HB PRO 24 2HB PRO 24 2.337 -1.937 -8.883 17 2HB PRO 24 3HB PRO 24 3.772 -1.615 -7.903 18 1HG PRO 24 2HG PRO 24 1.443 0.170 -8.493 19 2HG PRO 24 3HG PRO 24 2.286 -0.097 -6.956 20 1HD PRO 24 2HD PRO 24 2.747 2.069 -8.514 21 2HD PRO 24 3HD PRO 24 4.011 1.328 -7.510 22 H HIS 25 H HIS 25 3.818 -2.633 -11.451 23 HA HIS 25 HA HIS 25 2.092 -1.372 -13.429 24 1HB HIS 25 2HB HIS 25 3.551 -4.022 -13.502 25 2HB HIS 25 3HB HIS 25 2.675 -3.300 -14.848 26 HD1 HIS 25 HD1 HIS 25 3.691 -0.500 -14.944 27 HD2 HIS 25 HD2 HIS 25 6.167 -3.726 -14.093 28 HE1 HIS 25 HE1 HIS 25 6.017 0.270 -15.510 29 H THR 26 H THR 26 0.015 -1.446 -12.735 30 HA THR 26 HA THR 26 -1.220 -4.081 -12.585 31 HB THR 26 HB THR 26 -2.598 -3.253 -10.578 32 HG1 THR 26 HG1 THR 26 -0.305 -1.575 -10.317 33 1HG2 THR 26 1HG2 THR 26 0.303 -3.795 -9.977 34 2HG2 THR 26 2HG2 THR 26 -0.788 -5.038 -10.590 35 3HG2 THR 26 3HG2 THR 26 -1.114 -4.265 -9.039 36 H GLU 27 H GLU 27 -1.915 -3.232 -14.701 37 HA GLU 27 HA GLU 27 -3.535 -2.420 -16.076 38 1HB GLU 27 2HB GLU 27 -5.127 -1.907 -13.561 39 2HB GLU 27 3HB GLU 27 -5.753 -2.087 -15.194 40 1HG GLU 27 2HG GLU 27 -5.853 -4.293 -15.006 41 2HG GLU 27 3HG GLU 27 -4.199 -4.388 -14.402 42 HA PRO 28 HA PRO 28 -2.941 1.923 -16.302 43 1HB PRO 28 2HB PRO 28 -5.022 2.652 -17.886 44 2HB PRO 28 3HB PRO 28 -3.612 1.777 -18.494 45 1HG PRO 28 2HG PRO 28 -6.310 0.727 -17.736 46 2HG PRO 28 3HG PRO 28 -5.303 0.317 -19.137 47 1HD PRO 28 2HD PRO 28 -5.449 -1.256 -16.937 48 2HD PRO 28 3HD PRO 28 -3.977 -1.123 -17.920 49 H SER 29 H SER 29 -6.374 1.071 -15.824 50 HA SER 29 HA SER 29 -7.974 1.907 -14.438 51 1HB SER 29 2HB SER 29 -5.697 3.120 -12.859 52 2HB SER 29 3HB SER 29 -7.319 2.747 -12.277 53 HG SER 29 HG SER 29 -5.277 1.198 -12.102 54 H GLN 30 H GLN 30 -8.378 3.272 -16.391 55 HA GLN 30 HA GLN 30 -7.667 6.086 -16.047 56 1HB GLN 30 2HB GLN 30 -9.241 4.904 -18.327 57 2HB GLN 30 3HB GLN 30 -8.348 6.419 -18.294 58 1HG GLN 30 2HG GLN 30 -6.250 5.222 -18.217 59 2HG GLN 30 3HG GLN 30 -7.105 3.682 -18.141 60 1HE2 GLN 30 1HE2 GLN 30 -5.422 3.667 -20.054 61 2HE2 GLN 30 2HE2 GLN 30 -6.119 3.977 -21.603 62 H VAL 31 H VAL 31 -9.556 4.769 -14.255 63 HA VAL 31 HA VAL 31 -11.808 6.599 -14.657 64 HB VAL 31 HB VAL 31 -13.458 4.934 -14.100 65 1HG1 VAL 31 1HG1 VAL 31 -11.932 3.447 -16.157 66 2HG1 VAL 31 2HG1 VAL 31 -13.606 4.006 -16.168 67 3HG1 VAL 31 3HG1 VAL 31 -12.294 5.140 -16.489 68 1HG2 VAL 31 1HG2 VAL 31 -11.159 2.988 -13.934 69 2HG2 VAL 31 2HG2 VAL 31 -12.138 3.566 -12.585 70 3HG2 VAL 31 3HG2 VAL 31 -12.868 2.562 -13.838 71 H VAL 32 H VAL 32 -12.955 7.126 -12.723 72 HA VAL 32 HA VAL 32 -11.558 6.402 -10.234 73 HB VAL 32 HB VAL 32 -11.709 8.639 -9.402 74 1HG1 VAL 32 1HG1 VAL 32 -9.757 8.213 -10.748 75 2HG1 VAL 32 2HG1 VAL 32 -10.642 8.611 -12.223 76 3HG1 VAL 32 3HG1 VAL 32 -10.303 9.866 -11.030 77 1HG2 VAL 32 1HG2 VAL 32 -13.607 8.956 -11.608 78 2HG2 VAL 32 2HG2 VAL 32 -13.522 9.789 -10.056 79 3HG2 VAL 32 3HG2 VAL 32 -12.509 10.320 -11.398 80 H LEU 33 H LEU 33 -12.824 5.993 -8.486 81 HA LEU 33 HA LEU 33 -15.727 6.053 -8.939 82 1HB LEU 33 2HB LEU 33 -15.243 3.865 -8.475 83 2HB LEU 33 3HB LEU 33 -13.901 4.276 -7.409 84 HG LEU 33 HG LEU 33 -15.444 4.846 -5.631 85 1HD1 LEU 33 1HD1 LEU 33 -17.522 5.473 -6.065 86 2HD1 LEU 33 2HD1 LEU 33 -17.898 3.842 -6.621 87 3HD1 LEU 33 3HD1 LEU 33 -17.311 5.050 -7.764 88 1HD2 LEU 33 1HD2 LEU 33 -15.745 2.710 -4.993 89 2HD2 LEU 33 2HD2 LEU 33 -14.857 2.344 -6.472 90 3HD2 LEU 33 3HD2 LEU 33 -16.620 2.283 -6.464 91 H ILE 34 H ILE 34 -16.951 7.412 -7.814 92 HA ILE 34 HA ILE 34 -15.797 8.661 -5.406 93 HB ILE 34 HB ILE 34 -17.230 10.606 -5.857 94 1HG1 ILE 34 2HG1 ILE 34 -18.696 8.921 -7.427 95 2HG1 ILE 34 3HG1 ILE 34 -18.813 10.677 -7.469 96 1HG2 ILE 34 1HG2 ILE 34 -14.984 10.726 -6.649 97 2HG2 ILE 34 2HG2 ILE 34 -15.376 9.770 -8.078 98 3HG2 ILE 34 3HG2 ILE 34 -16.025 11.401 -7.903 99 1HD1 ILE 34 1HD1 ILE 34 -17.384 10.802 -9.362 100 2HD1 ILE 34 2HD1 ILE 34 -16.975 9.091 -9.238 101 3HD1 ILE 34 3HD1 ILE 34 -18.608 9.577 -9.694 102 H THR 35 H THR 35 -17.129 9.005 -3.614 103 HA THR 35 HA THR 35 -19.807 7.820 -3.675 104 HB THR 35 HB THR 35 -19.466 6.465 -1.746 105 HG1 THR 35 HG1 THR 35 -17.153 6.427 -0.919 106 1HG2 THR 35 1HG2 THR 35 -18.604 5.621 -3.980 107 2HG2 THR 35 2HG2 THR 35 -17.967 4.816 -2.546 108 3HG2 THR 35 3HG2 THR 35 -16.988 6.012 -3.395 109 H ASN 36 H ASN 36 -20.612 8.042 -1.156 110 HA ASN 36 HA ASN 36 -21.402 9.493 0.406 111 1HB ASN 36 2HB ASN 36 -18.728 9.693 0.600 112 2HB ASN 36 3HB ASN 36 -19.102 11.351 0.141 113 1HD2 ASN 36 1HD2 ASN 36 -21.452 11.815 1.390 114 2HD2 ASN 36 2HD2 ASN 36 -21.251 11.719 3.103 115 H ILE 37 H ILE 37 -22.400 9.872 -2.104 116 HA ILE 37 HA ILE 37 -22.547 12.806 -2.350 117 HB ILE 37 HB ILE 37 -23.357 12.342 -4.705 118 1HG1 ILE 37 2HG1 ILE 37 -22.047 9.655 -4.292 119 2HG1 ILE 37 3HG1 ILE 37 -23.789 9.883 -4.182 120 1HG2 ILE 37 1HG2 ILE 37 -21.123 13.191 -4.218 121 2HG2 ILE 37 2HG2 ILE 37 -20.535 11.542 -4.003 122 3HG2 ILE 37 3HG2 ILE 37 -21.092 12.081 -5.588 123 1HD1 ILE 37 1HD1 ILE 37 -23.704 9.315 -6.352 124 2HD1 ILE 37 2HD1 ILE 37 -23.323 11.024 -6.565 125 3HD1 ILE 37 3HD1 ILE 37 -22.027 9.829 -6.535 126 H ASN 38 H ASN 38 -24.490 13.771 -2.189 127 HA ASN 38 HA ASN 38 -26.685 12.364 -1.112 128 1HB ASN 38 2HB ASN 38 -25.946 15.042 -1.395 129 2HB ASN 38 3HB ASN 38 -27.437 14.895 -2.321 130 1HD2 ASN 38 1HD2 ASN 38 -26.217 15.567 0.636 131 2HD2 ASN 38 2HD2 ASN 38 -27.592 15.199 1.614 132 HA PRO 39 HA PRO 39 -28.209 10.803 -5.025 133 1HB PRO 39 2HB PRO 39 -30.204 9.320 -3.933 134 2HB PRO 39 3HB PRO 39 -28.516 8.797 -3.947 135 1HG PRO 39 2HG PRO 39 -30.085 10.074 -1.740 136 2HG PRO 39 3HG PRO 39 -28.946 8.717 -1.663 137 1HD PRO 39 2HD PRO 39 -28.260 11.237 -0.950 138 2HD PRO 39 3HD PRO 39 -27.103 10.100 -1.670 139 H GLU 40 H GLU 40 -29.738 12.800 -2.707 140 HA GLU 40 HA GLU 40 -32.347 12.988 -3.616 141 1HB GLU 40 2HB GLU 40 -30.482 14.895 -2.269 142 2HB GLU 40 3HB GLU 40 -32.017 15.500 -2.874 143 1HG GLU 40 2HG GLU 40 -33.096 13.607 -1.558 144 2HG GLU 40 3HG GLU 40 -31.532 13.426 -0.766 145 H VAL 41 H VAL 41 -29.419 14.123 -5.071 146 HA VAL 41 HA VAL 41 -30.823 15.845 -6.954 147 HB VAL 41 HB VAL 41 -28.716 16.690 -6.169 148 1HG1 VAL 41 1HG1 VAL 41 -26.695 15.149 -7.174 149 2HG1 VAL 41 2HG1 VAL 41 -27.238 15.147 -5.495 150 3HG1 VAL 41 3HG1 VAL 41 -27.848 13.934 -6.622 151 1HG2 VAL 41 1HG2 VAL 41 -28.605 15.724 -9.020 152 2HG2 VAL 41 2HG2 VAL 41 -29.185 17.281 -8.431 153 3HG2 VAL 41 3HG2 VAL 41 -27.469 16.887 -8.338 154 HA PRO 42 HA PRO 42 -31.305 12.638 -9.957 155 1HB PRO 42 2HB PRO 42 -31.858 14.225 -12.089 156 2HB PRO 42 3HB PRO 42 -33.024 13.909 -10.799 157 1HG PRO 42 2HG PRO 42 -31.245 16.282 -11.205 158 2HG PRO 42 3HG PRO 42 -32.949 16.232 -10.718 159 1HD PRO 42 2HD PRO 42 -30.937 16.592 -8.943 160 2HD PRO 42 3HD PRO 42 -32.438 15.742 -8.525 161 H LYS 43 H LYS 43 -29.995 11.581 -11.346 162 HA LYS 43 HA LYS 43 -27.334 12.196 -11.664 163 1HB LYS 43 2HB LYS 43 -28.072 9.976 -12.117 164 2HB LYS 43 3HB LYS 43 -29.167 10.525 -13.379 165 1HG LYS 43 2HG LYS 43 -26.288 11.107 -13.743 166 2HG LYS 43 3HG LYS 43 -26.805 9.427 -13.900 167 1HD LYS 43 2HD LYS 43 -28.709 10.768 -15.346 168 2HD LYS 43 3HD LYS 43 -27.251 11.708 -15.676 169 1HE LYS 43 2HE LYS 43 -26.742 10.172 -17.206 170 2HE LYS 43 3HE LYS 43 -26.420 9.070 -15.868 171 1HZ LYS 43 1HZ LYS 43 -27.944 8.072 -17.425 172 2HZ LYS 43 2HZ LYS 43 -29.005 9.383 -17.296 173 3HZ LYS 43 3HZ LYS 43 -28.749 8.369 -15.966 174 H GLU 44 H GLU 44 -30.055 13.165 -13.663 175 HA GLU 44 HA GLU 44 -28.764 14.078 -15.927 176 1HB GLU 44 2HB GLU 44 -31.342 14.240 -14.878 177 2HB GLU 44 3HB GLU 44 -30.853 15.915 -15.093 178 1HG GLU 44 2HG GLU 44 -30.354 15.494 -17.429 179 2HG GLU 44 3HG GLU 44 -30.772 13.794 -17.227 180 H LYS 45 H LYS 45 -29.470 15.910 -12.957 181 HA LYS 45 HA LYS 45 -27.904 18.163 -13.854 182 1HB LYS 45 2HB LYS 45 -29.927 18.492 -12.492 183 2HB LYS 45 3HB LYS 45 -29.181 17.606 -11.169 184 1HG LYS 45 2HG LYS 45 -27.484 19.763 -12.046 185 2HG LYS 45 3HG LYS 45 -29.095 20.349 -11.625 186 1HD LYS 45 2HD LYS 45 -27.712 18.435 -9.799 187 2HD LYS 45 3HD LYS 45 -27.233 20.134 -9.792 188 1HE LYS 45 2HE LYS 45 -29.588 20.758 -9.390 189 2HE LYS 45 3HE LYS 45 -30.008 19.048 -9.318 190 1HZ LYS 45 1HZ LYS 45 -27.847 19.838 -7.569 191 2HZ LYS 45 2HZ LYS 45 -29.187 18.852 -7.259 192 3HZ LYS 45 3HZ LYS 45 -29.341 20.536 -7.191 193 H LEU 46 H LEU 46 -27.629 15.677 -11.332 194 HA LEU 46 HA LEU 46 -25.282 16.492 -10.127 195 1HB LEU 46 2HB LEU 46 -26.333 14.731 -9.073 196 2HB LEU 46 3HB LEU 46 -26.554 13.831 -10.573 197 HG LEU 46 HG LEU 46 -23.752 14.159 -9.781 198 1HD1 LEU 46 1HD1 LEU 46 -25.584 12.487 -8.068 199 2HD1 LEU 46 2HD1 LEU 46 -24.782 13.973 -7.561 200 3HD1 LEU 46 3HD1 LEU 46 -23.824 12.550 -7.970 201 1HD2 LEU 46 1HD2 LEU 46 -23.630 12.404 -11.130 202 2HD2 LEU 46 2HD2 LEU 46 -25.385 12.413 -11.301 203 3HD2 LEU 46 3HD2 LEU 46 -24.628 11.463 -10.021 204 H GLN 47 H GLN 47 -25.539 14.075 -12.742 205 HA GLN 47 HA GLN 47 -22.857 13.699 -13.231 206 1HB GLN 47 2HB GLN 47 -24.836 12.493 -14.279 207 2HB GLN 47 3HB GLN 47 -24.924 13.826 -15.423 208 1HG GLN 47 2HG GLN 47 -22.336 13.205 -15.682 209 2HG GLN 47 3HG GLN 47 -22.969 11.627 -15.215 210 1HE2 GLN 47 1HE2 GLN 47 -23.414 10.398 -16.882 211 2HE2 GLN 47 2HE2 GLN 47 -24.017 10.924 -18.413 212 H ALA 48 H ALA 48 -24.990 16.170 -14.627 213 HA ALA 48 HA ALA 48 -23.267 17.355 -16.419 214 1HB ALA 48 1HB ALA 48 -25.770 17.890 -15.597 215 2HB ALA 48 2HB ALA 48 -24.905 19.226 -14.836 216 3HB ALA 48 3HB ALA 48 -24.809 18.994 -16.581 217 H LEU 49 H LEU 49 -23.495 17.871 -12.928 218 HA LEU 49 HA LEU 49 -21.568 19.970 -12.855 219 1HB LEU 49 2HB LEU 49 -23.347 18.744 -11.056 220 2HB LEU 49 3HB LEU 49 -21.735 18.541 -10.373 221 HG LEU 49 HG LEU 49 -22.757 20.524 -9.465 222 1HD1 LEU 49 1HD1 LEU 49 -20.942 21.913 -11.268 223 2HD1 LEU 49 2HD1 LEU 49 -20.270 20.415 -10.626 224 3HD1 LEU 49 3HD1 LEU 49 -20.843 21.667 -9.525 225 1HD2 LEU 49 1HD2 LEU 49 -24.164 21.754 -10.657 226 2HD2 LEU 49 2HD2 LEU 49 -23.778 20.817 -12.100 227 3HD2 LEU 49 3HD2 LEU 49 -22.839 22.258 -11.706 228 H LEU 50 H LEU 50 -21.445 16.491 -12.168 229 HA LEU 50 HA LEU 50 -18.838 16.284 -11.272 230 1HB LEU 50 2HB LEU 50 -20.351 14.345 -13.016 231 2HB LEU 50 3HB LEU 50 -18.898 13.968 -12.093 232 HG LEU 50 HG LEU 50 -21.670 14.523 -11.077 233 1HD1 LEU 50 1HD1 LEU 50 -19.783 12.280 -10.412 234 2HD1 LEU 50 2HD1 LEU 50 -20.909 12.212 -11.767 235 3HD1 LEU 50 3HD1 LEU 50 -21.520 12.373 -10.121 236 1HD2 LEU 50 1HD2 LEU 50 -20.189 15.860 -9.712 237 2HD2 LEU 50 2HD2 LEU 50 -19.099 14.490 -9.500 238 3HD2 LEU 50 3HD2 LEU 50 -20.719 14.445 -8.803 239 H TYR 51 H TYR 51 -20.050 16.470 -14.577 240 HA TYR 51 HA TYR 51 -17.515 15.987 -15.803 241 1HB TYR 51 2HB TYR 51 -19.593 15.525 -17.000 242 2HB TYR 51 3HB TYR 51 -20.039 17.226 -16.921 243 HD1 TYR 51 HD1 TYR 51 -18.103 14.717 -18.669 244 HD2 TYR 51 HD2 TYR 51 -18.738 18.901 -18.229 245 HE1 TYR 51 HE1 TYR 51 -16.949 15.110 -20.805 246 HE2 TYR 51 HE2 TYR 51 -17.587 19.306 -20.365 247 HH TYR 51 HH TYR 51 -15.837 18.081 -21.773 248 H ALA 52 H ALA 52 -19.379 18.873 -14.980 249 HA ALA 52 HA ALA 52 -17.764 20.778 -16.247 250 1HB ALA 52 1HB ALA 52 -19.487 21.004 -13.785 251 2HB ALA 52 2HB ALA 52 -18.739 22.377 -14.601 252 3HB ALA 52 3HB ALA 52 -19.933 21.393 -15.447 253 H LEU 53 H LEU 53 -17.703 19.654 -12.864 254 HA LEU 53 HA LEU 53 -15.401 21.163 -12.168 255 1HB LEU 53 2HB LEU 53 -15.342 19.620 -10.182 256 2HB LEU 53 3HB LEU 53 -16.834 20.529 -10.411 257 HG LEU 53 HG LEU 53 -17.363 18.163 -11.707 258 1HD1 LEU 53 1HD1 LEU 53 -15.183 17.689 -9.917 259 2HD1 LEU 53 2HD1 LEU 53 -16.029 16.555 -10.969 260 3HD1 LEU 53 3HD1 LEU 53 -16.621 16.851 -9.334 261 1HD2 LEU 53 1HD2 LEU 53 -17.985 18.383 -8.808 262 2HD2 LEU 53 2HD2 LEU 53 -19.033 17.961 -10.163 263 3HD2 LEU 53 3HD2 LEU 53 -18.579 19.644 -9.889 264 H ALA 54 H ALA 54 -15.899 18.007 -13.553 265 HA ALA 54 HA ALA 54 -13.319 16.949 -13.029 266 1HB ALA 54 1HB ALA 54 -15.088 15.441 -13.563 267 2HB ALA 54 2HB ALA 54 -15.384 16.245 -15.105 268 3HB ALA 54 3HB ALA 54 -13.892 15.340 -14.854 269 H SER 55 H SER 55 -14.729 18.450 -15.937 270 HA SER 55 HA SER 55 -12.532 18.324 -17.604 271 1HB SER 55 2HB SER 55 -14.897 19.167 -18.123 272 2HB SER 55 3HB SER 55 -14.350 20.729 -17.514 273 HG SER 55 HG SER 55 -13.392 21.036 -19.347 274 H SER 56 H SER 56 -13.135 20.446 -14.908 275 HA SER 56 HA SER 56 -11.333 22.499 -15.430 276 1HB SER 56 2HB SER 56 -13.025 21.966 -13.396 277 2HB SER 56 3HB SER 56 -11.494 21.560 -12.621 278 HG SER 56 HG SER 56 -12.526 23.979 -13.141 279 H GLN 57 H GLN 57 -10.765 19.215 -14.514 280 HA GLN 57 HA GLN 57 -7.917 19.797 -14.063 281 1HB GLN 57 2HB GLN 57 -9.595 17.419 -13.257 282 2HB GLN 57 3HB GLN 57 -7.850 17.498 -13.060 283 1HG GLN 57 2HG GLN 57 -9.724 19.508 -11.848 284 2HG GLN 57 3HG GLN 57 -9.227 18.031 -11.024 285 1HE2 GLN 57 1HE2 GLN 57 -8.661 21.183 -11.105 286 2HE2 GLN 57 2HE2 GLN 57 -6.986 21.228 -10.683 287 HN2 GLY 58 H GLY 58 -9.688 16.929 -15.220 288 1HA GLY 58 2HA GLY 58 -7.900 16.916 -17.573 289 2HA GLY 58 3HA GLY 58 -8.286 15.449 -16.686 290 H ASP 59 H ASP 59 -8.741 15.405 -19.319 291 HA ASP 59 HA ASP 59 -11.389 16.254 -20.010 292 1HB ASP 59 2HB ASP 59 -9.263 14.622 -21.349 293 2HB ASP 59 3HB ASP 59 -10.903 14.605 -21.992 294 H ILE 60 H ILE 60 -13.258 15.094 -20.077 295 HA ILE 60 HA ILE 60 -13.218 12.512 -18.685 296 HB ILE 60 HB ILE 60 -15.582 14.302 -19.258 297 1HG1 ILE 60 2HG1 ILE 60 -15.324 14.464 -16.609 298 2HG1 ILE 60 3HG1 ILE 60 -13.634 14.173 -17.006 299 1HG2 ILE 60 1HG2 ILE 60 -15.976 12.553 -17.056 300 2HG2 ILE 60 2HG2 ILE 60 -16.846 12.608 -18.588 301 3HG2 ILE 60 3HG2 ILE 60 -15.409 11.598 -18.426 302 1HD1 ILE 60 1HD1 ILE 60 -14.685 16.183 -18.741 303 2HD1 ILE 60 2HD1 ILE 60 -15.028 16.601 -17.062 304 3HD1 ILE 60 3HD1 ILE 60 -13.369 16.289 -17.572 305 H LEU 61 H LEU 61 -13.873 10.663 -19.630 306 HA LEU 61 HA LEU 61 -14.570 10.792 -22.473 307 1HB LEU 61 2HB LEU 61 -13.919 8.283 -20.974 308 2HB LEU 61 3HB LEU 61 -13.753 8.619 -22.696 309 HG LEU 61 HG LEU 61 -11.986 9.596 -20.459 310 1HD1 LEU 61 1HD1 LEU 61 -11.093 7.577 -20.921 311 2HD1 LEU 61 2HD1 LEU 61 -10.368 8.452 -22.269 312 3HD1 LEU 61 3HD1 LEU 61 -11.827 7.494 -22.523 313 1HD2 LEU 61 1HD2 LEU 61 -12.310 10.539 -23.263 314 2HD2 LEU 61 2HD2 LEU 61 -10.686 10.463 -22.579 315 3HD2 LEU 61 3HD2 LEU 61 -11.926 11.448 -21.801 316 H ASP 62 H ASP 62 -15.796 9.811 -19.370 317 HA ASP 62 HA ASP 62 -18.467 9.794 -20.172 318 1HB ASP 62 2HB ASP 62 -17.195 7.486 -21.044 319 2HB ASP 62 3HB ASP 62 -18.000 6.982 -19.560 320 H ILE 63 H ILE 63 -19.575 10.205 -18.381 321 HA ILE 63 HA ILE 63 -18.421 9.379 -15.806 322 HB ILE 63 HB ILE 63 -20.450 11.552 -16.339 323 1HG1 ILE 63 2HG1 ILE 63 -17.480 11.712 -15.782 324 2HG1 ILE 63 3HG1 ILE 63 -18.284 12.141 -17.288 325 1HG2 ILE 63 1HG2 ILE 63 -20.568 10.489 -14.101 326 2HG2 ILE 63 2HG2 ILE 63 -18.889 10.952 -13.832 327 3HG2 ILE 63 3HG2 ILE 63 -20.122 12.194 -14.045 328 1HD1 ILE 63 1HD1 ILE 63 -18.010 13.653 -14.792 329 2HD1 ILE 63 2HD1 ILE 63 -18.167 14.215 -16.457 330 3HD1 ILE 63 3HD1 ILE 63 -19.600 13.731 -15.550 331 H VAL 64 H VAL 64 -19.319 7.598 -15.012 332 HA VAL 64 HA VAL 64 -22.097 6.953 -15.627 333 HB VAL 64 HB VAL 64 -20.044 5.325 -14.121 334 1HG1 VAL 64 1HG1 VAL 64 -21.862 3.568 -15.114 335 2HG1 VAL 64 2HG1 VAL 64 -21.891 4.218 -13.474 336 3HG1 VAL 64 3HG1 VAL 64 -22.891 4.948 -14.730 337 1HG2 VAL 64 1HG2 VAL 64 -20.919 5.216 -17.005 338 2HG2 VAL 64 2HG2 VAL 64 -19.321 5.652 -16.398 339 3HG2 VAL 64 3HG2 VAL 64 -19.914 4.002 -16.213 340 H VAL 65 H VAL 65 -23.686 6.623 -14.073 341 HA VAL 65 HA VAL 65 -23.050 7.343 -11.304 342 HB VAL 65 HB VAL 65 -25.326 8.581 -12.859 343 1HG1 VAL 65 1HG1 VAL 65 -25.945 8.198 -10.558 344 2HG1 VAL 65 2HG1 VAL 65 -24.441 8.931 -9.997 345 3HG1 VAL 65 3HG1 VAL 65 -25.657 9.920 -10.806 346 1HG2 VAL 65 1HG2 VAL 65 -23.182 9.543 -13.493 347 2HG2 VAL 65 2HG2 VAL 65 -24.121 10.695 -12.544 348 3HG2 VAL 65 3HG2 VAL 65 -22.787 9.817 -11.796 349 H ASP 66 H ASP 66 -24.072 6.115 -9.841 350 HA ASP 66 HA ASP 66 -25.531 3.841 -10.624 351 1HB ASP 66 2HB ASP 66 -24.264 4.644 -8.329 352 2HB ASP 66 3HB ASP 66 -25.958 4.725 -7.855 353 H LEU 67 H LEU 67 -27.621 3.719 -8.736 354 HA LEU 67 HA LEU 67 -29.622 5.295 -10.149 355 1HB LEU 67 2HB LEU 67 -31.210 3.867 -8.775 356 2HB LEU 67 3HB LEU 67 -30.233 3.046 -9.991 357 HG LEU 67 HG LEU 67 -30.558 1.947 -7.674 358 1HD1 LEU 67 1HD1 LEU 67 -28.335 2.036 -9.513 359 2HD1 LEU 67 2HD1 LEU 67 -29.041 0.662 -8.663 360 3HD1 LEU 67 3HD1 LEU 67 -27.803 1.642 -7.877 361 1HD2 LEU 67 1HD2 LEU 67 -29.968 4.000 -6.409 362 2HD2 LEU 67 2HD2 LEU 67 -28.316 3.851 -7.011 363 3HD2 LEU 67 3HD2 LEU 67 -28.993 2.597 -5.972 364 H SER 68 H SER 68 -27.705 6.271 -7.962 365 HA SER 68 HA SER 68 -27.734 7.663 -6.156 366 1HB SER 68 2HB SER 68 -30.502 8.533 -6.910 367 2HB SER 68 3HB SER 68 -29.135 9.506 -6.367 368 HG SER 68 HG SER 68 -28.920 9.889 -8.426 369 H ASP 69 H ASP 69 -28.107 5.378 -5.108 370 HA ASP 69 HA ASP 69 -30.648 4.968 -3.851 371 1HB ASP 69 2HB ASP 69 -28.239 3.485 -4.203 372 2HB ASP 69 3HB ASP 69 -28.591 3.549 -2.478 373 H ASP 70 H ASP 70 -31.175 5.199 -1.666 374 HA ASP 70 HA ASP 70 -30.014 7.479 -0.390 375 1HB ASP 70 2HB ASP 70 -31.918 5.586 0.961 376 2HB ASP 70 3HB ASP 70 -31.766 7.329 1.161 377 H ASN 71 H ASN 71 -29.102 4.284 -0.505 378 HA ASN 71 HA ASN 71 -27.714 4.486 2.087 379 1HB ASN 71 2HB ASN 71 -29.460 2.475 1.205 380 2HB ASN 71 3HB ASN 71 -27.847 1.780 1.076 381 1HD2 ASN 71 1HD2 ASN 71 -30.251 1.509 2.959 382 2HD2 ASN 71 2HD2 ASN 71 -29.533 1.564 4.530 383 H SER 72 H SER 72 -27.362 4.436 -1.242 384 HA SER 72 HA SER 72 -24.556 3.559 -1.025 385 1HB SER 72 2HB SER 72 -26.626 2.819 -2.883 386 2HB SER 72 3HB SER 72 -25.305 3.602 -3.749 387 HG SER 72 HG SER 72 -25.344 1.147 -3.041 388 HN2 GLY 73 H GLY 73 -26.377 5.454 -3.429 389 1HA GLY 73 2HA GLY 73 -25.852 7.434 -4.475 390 2HA GLY 73 3HA GLY 73 -25.459 7.983 -2.852 391 H LYS 74 H LYS 74 -24.183 6.634 -5.818 392 HA LYS 74 HA LYS 74 -21.599 7.817 -5.223 393 1HB LYS 74 2HB LYS 74 -20.360 5.755 -5.749 394 2HB LYS 74 3HB LYS 74 -21.348 5.576 -4.305 395 1HG LYS 74 2HG LYS 74 -23.029 4.713 -6.294 396 2HG LYS 74 3HG LYS 74 -21.449 4.139 -6.833 397 1HD LYS 74 2HD LYS 74 -21.974 3.725 -3.979 398 2HD LYS 74 3HD LYS 74 -23.066 2.846 -5.053 399 1HE LYS 74 2HE LYS 74 -20.952 2.101 -6.287 400 2HE LYS 74 3HE LYS 74 -20.072 2.680 -4.874 401 1HZ LYS 74 1HZ LYS 74 -21.016 1.075 -3.525 402 2HZ LYS 74 2HZ LYS 74 -20.767 0.230 -4.969 403 3HZ LYS 74 3HZ LYS 74 -22.314 0.789 -4.572 404 H ALA 75 H ALA 75 -20.075 7.116 -7.231 405 HA ALA 75 HA ALA 75 -21.370 6.792 -9.739 406 1HB ALA 75 1HB ALA 75 -22.165 8.950 -9.713 407 2HB ALA 75 2HB ALA 75 -20.782 9.564 -8.805 408 3HB ALA 75 3HB ALA 75 -20.609 9.168 -10.514 409 H TYR 76 H TYR 76 -19.727 7.622 -11.553 410 HA TYR 76 HA TYR 76 -16.962 7.245 -10.705 411 1HB TYR 76 2HB TYR 76 -17.997 5.571 -12.975 412 2HB TYR 76 3HB TYR 76 -16.525 5.365 -12.032 413 HD1 TYR 76 HD1 TYR 76 -20.182 4.912 -12.028 414 HD2 TYR 76 HD2 TYR 76 -16.539 4.150 -9.968 415 HE1 TYR 76 HE1 TYR 76 -21.343 3.291 -10.589 416 HE2 TYR 76 HE2 TYR 76 -17.689 2.525 -8.524 417 HH TYR 76 HH TYR 76 -20.175 1.028 -9.054 418 H ILE 77 H ILE 77 -15.656 8.583 -11.765 419 HA ILE 77 HA ILE 77 -16.658 9.832 -14.235 420 HB ILE 77 HB ILE 77 -14.503 10.909 -12.420 421 1HG1 ILE 77 2HG1 ILE 77 -17.449 11.597 -12.506 422 2HG1 ILE 77 3HG1 ILE 77 -16.617 10.776 -11.190 423 1HG2 ILE 77 1HG2 ILE 77 -14.529 12.826 -13.697 424 2HG2 ILE 77 2HG2 ILE 77 -14.793 11.585 -14.921 425 3HG2 ILE 77 3HG2 ILE 77 -16.155 12.524 -14.310 426 1HD1 ILE 77 1HD1 ILE 77 -16.389 12.784 -10.278 427 2HD1 ILE 77 2HD1 ILE 77 -15.173 13.099 -11.516 428 3HD1 ILE 77 3HD1 ILE 77 -16.843 13.602 -11.772 429 H VAL 78 H VAL 78 -15.834 8.800 -15.945 430 HA VAL 78 HA VAL 78 -13.188 7.635 -15.882 431 HB VAL 78 HB VAL 78 -15.063 7.863 -18.237 432 1HG1 VAL 78 1HG1 VAL 78 -12.406 7.000 -18.050 433 2HG1 VAL 78 2HG1 VAL 78 -13.380 5.534 -18.173 434 3HG1 VAL 78 3HG1 VAL 78 -13.511 6.788 -19.408 435 1HG2 VAL 78 1HG2 VAL 78 -14.795 5.609 -16.249 436 2HG2 VAL 78 2HG2 VAL 78 -16.152 6.731 -16.350 437 3HG2 VAL 78 3HG2 VAL 78 -15.826 5.619 -17.680 438 H PHE 79 H PHE 79 -11.377 8.612 -16.492 439 HA PHE 79 HA PHE 79 -11.588 11.115 -18.022 440 1HB PHE 79 2HB PHE 79 -9.556 10.147 -16.018 441 2HB PHE 79 3HB PHE 79 -9.230 11.501 -17.095 442 HD1 PHE 79 HD1 PHE 79 -10.545 13.574 -16.910 443 HD2 PHE 79 HD2 PHE 79 -10.995 10.373 -14.140 444 HE1 PHE 79 HE1 PHE 79 -11.671 15.096 -15.339 445 HE2 PHE 79 HE2 PHE 79 -12.123 11.890 -12.566 446 HZ PHE 79 HZ PHE 79 -12.463 14.254 -13.164 447 H ALA 80 H ALA 80 -9.387 11.558 -19.217 448 HA ALA 80 HA ALA 80 -9.220 9.820 -21.374 449 1HB ALA 80 1HB ALA 80 -7.905 12.216 -20.512 450 2HB ALA 80 2HB ALA 80 -6.727 11.099 -21.203 451 3HB ALA 80 3HB ALA 80 -8.134 11.593 -22.146 452 H THR 81 H THR 81 -7.214 9.987 -18.463 453 HA THR 81 HA THR 81 -6.548 7.217 -18.635 454 HB THR 81 HB THR 81 -3.977 8.510 -18.579 455 HG1 THR 81 HG1 THR 81 -5.260 8.769 -21.090 456 1HG2 THR 81 1HG2 THR 81 -5.335 6.370 -20.176 457 2HG2 THR 81 2HG2 THR 81 -3.985 6.236 -19.049 458 3HG2 THR 81 3HG2 THR 81 -3.736 6.947 -20.644 459 H GLN 82 H GLN 82 -4.870 6.642 -16.909 460 HA GLN 82 HA GLN 82 -5.747 7.448 -14.421 461 1HB GLN 82 2HB GLN 82 -4.142 5.494 -15.213 462 2HB GLN 82 3HB GLN 82 -2.893 6.627 -14.713 463 1HG GLN 82 2HG GLN 82 -4.896 6.488 -12.686 464 2HG GLN 82 3HG GLN 82 -4.382 4.857 -13.115 465 1HE2 GLN 82 1HE2 GLN 82 -3.601 7.721 -11.469 466 2HE2 GLN 82 2HE2 GLN 82 -2.018 7.271 -10.944 467 H GLU 83 H GLU 83 -3.348 8.910 -16.486 468 HA GLU 83 HA GLU 83 -1.988 10.495 -14.638 469 1HB GLU 83 2HB GLU 83 -2.510 10.653 -17.566 470 2HB GLU 83 3HB GLU 83 -1.890 12.092 -16.769 471 1HG GLU 83 2HG GLU 83 0.059 10.924 -16.028 472 2HG GLU 83 3HG GLU 83 -0.587 9.388 -16.602 473 H SER 84 H SER 84 -4.874 11.272 -16.569 474 HA SER 84 HA SER 84 -5.230 13.835 -15.364 475 1HB SER 84 2HB SER 84 -6.488 12.274 -17.457 476 2HB SER 84 3HB SER 84 -7.696 13.051 -16.434 477 HG SER 84 HG SER 84 -6.698 14.249 -18.328 478 H ALA 85 H ALA 85 -6.782 10.673 -14.952 479 HA ALA 85 HA ALA 85 -8.759 11.348 -13.141 480 1HB ALA 85 1HB ALA 85 -7.504 8.944 -14.056 481 2HB ALA 85 2HB ALA 85 -7.767 8.851 -12.314 482 3HB ALA 85 3HB ALA 85 -9.123 9.175 -13.395 483 H GLN 86 H GLN 86 -5.387 10.444 -12.475 484 HA GLN 86 HA GLN 86 -5.526 10.547 -9.683 485 1HB GLN 86 2HB GLN 86 -3.627 9.531 -10.721 486 2HB GLN 86 3HB GLN 86 -3.228 11.012 -11.581 487 1HG GLN 86 2HG GLN 86 -2.050 11.808 -9.874 488 2HG GLN 86 3HG GLN 86 -3.302 11.388 -8.706 489 1HE2 GLN 86 1HE2 GLN 86 -2.048 10.511 -7.150 490 2HE2 GLN 86 2HE2 GLN 86 -1.093 9.087 -7.360 491 H ALA 87 H ALA 87 -4.708 13.067 -12.040 492 HA ALA 87 HA ALA 87 -4.063 15.094 -10.221 493 1HB ALA 87 1HB ALA 87 -5.092 15.155 -13.041 494 2HB ALA 87 2HB ALA 87 -4.737 16.631 -12.143 495 3HB ALA 87 3HB ALA 87 -3.456 15.460 -12.456 496 H PHE 88 H PHE 88 -7.162 14.048 -11.530 497 HA PHE 88 HA PHE 88 -8.650 16.219 -10.413 498 1HB PHE 88 2HB PHE 88 -9.601 15.160 -12.316 499 2HB PHE 88 3HB PHE 88 -9.445 13.561 -11.596 500 HD1 PHE 88 HD1 PHE 88 -11.441 16.588 -11.791 501 HD2 PHE 88 HD2 PHE 88 -10.981 12.836 -9.835 502 HE1 PHE 88 HE1 PHE 88 -13.742 16.755 -10.936 503 HE2 PHE 88 HE2 PHE 88 -13.281 12.997 -8.977 504 HZ PHE 88 HZ PHE 88 -14.666 14.958 -9.528 505 H VAL 89 H VAL 89 -7.834 12.957 -9.395 506 HA VAL 89 HA VAL 89 -9.604 12.822 -7.189 507 HB VAL 89 HB VAL 89 -6.998 11.367 -7.656 508 1HG1 VAL 89 1HG1 VAL 89 -8.671 9.820 -6.051 509 2HG1 VAL 89 2HG1 VAL 89 -7.194 10.651 -5.559 510 3HG1 VAL 89 3HG1 VAL 89 -8.758 11.444 -5.371 511 1HG2 VAL 89 1HG2 VAL 89 -8.122 9.836 -8.874 512 2HG2 VAL 89 2HG2 VAL 89 -9.588 9.983 -7.904 513 3HG2 VAL 89 3HG2 VAL 89 -9.234 11.177 -9.153 514 H GLU 90 H GLU 90 -6.258 13.905 -7.538 515 HA GLU 90 HA GLU 90 -5.963 14.426 -4.717 516 1HB GLU 90 2HB GLU 90 -3.750 15.022 -5.190 517 2HB GLU 90 3HB GLU 90 -4.107 13.770 -6.372 518 1HG GLU 90 2HG GLU 90 -3.177 15.247 -7.785 519 2HG GLU 90 3HG GLU 90 -4.806 15.920 -7.798 520 H ALA 91 H ALA 91 -6.964 16.168 -7.536 521 HA ALA 91 HA ALA 91 -6.586 18.789 -6.434 522 1HB ALA 91 1HB ALA 91 -6.536 18.642 -8.790 523 2HB ALA 91 2HB ALA 91 -8.070 17.772 -8.843 524 3HB ALA 91 3HB ALA 91 -8.037 19.475 -8.387 525 H PHE 92 H PHE 92 -9.033 16.366 -6.258 526 HA PHE 92 HA PHE 92 -10.834 18.285 -4.931 527 1HB PHE 92 2HB PHE 92 -11.450 15.858 -6.608 528 2HB PHE 92 3HB PHE 92 -12.638 16.556 -5.512 529 HD1 PHE 92 HD1 PHE 92 -14.132 18.042 -6.404 530 HD2 PHE 92 HD2 PHE 92 -10.280 17.681 -8.178 531 HE1 PHE 92 HE1 PHE 92 -14.783 19.661 -8.139 532 HE2 PHE 92 HE2 PHE 92 -10.924 19.300 -9.915 533 HZ PHE 92 HZ PHE 92 -13.178 20.293 -9.897 534 H GLN 93 H GLN 93 -8.681 15.922 -4.320 535 HA GLN 93 HA GLN 93 -9.810 14.058 -2.663 536 1HB GLN 93 2HB GLN 93 -7.505 13.851 -3.088 537 2HB GLN 93 3HB GLN 93 -7.165 15.482 -2.525 538 1HG GLN 93 2HG GLN 93 -7.621 14.817 -0.240 539 2HG GLN 93 3HG GLN 93 -8.044 13.193 -0.780 540 1HE2 GLN 93 1HE2 GLN 93 -5.796 14.634 0.854 541 2HE2 GLN 93 2HE2 GLN 93 -4.372 13.821 0.313 542 HN2 GLY 94 H GLY 94 -9.239 17.450 -2.015 543 1HA GLY 94 2HA GLY 94 -10.744 17.145 0.495 544 2HA GLY 94 3HA GLY 94 -9.223 18.025 0.501 545 H TYR 95 H TYR 95 -12.052 17.982 -1.667 546 HA TYR 95 HA TYR 95 -12.217 20.905 -1.321 547 1HB TYR 95 2HB TYR 95 -11.438 20.485 -3.546 548 2HB TYR 95 3HB TYR 95 -12.658 19.241 -3.803 549 HD1 TYR 95 HD1 TYR 95 -15.009 19.866 -4.172 550 HD2 TYR 95 HD2 TYR 95 -11.966 22.815 -3.794 551 HE1 TYR 95 HE1 TYR 95 -16.526 21.545 -5.135 552 HE2 TYR 95 HE2 TYR 95 -13.475 24.503 -4.755 553 HH TYR 95 HH TYR 95 -16.405 24.520 -4.835 554 HA PRO 96 HA PRO 96 -16.312 20.129 0.149 555 1HB PRO 96 2HB PRO 96 -17.226 22.682 0.022 556 2HB PRO 96 3HB PRO 96 -16.109 22.123 1.273 557 1HG PRO 96 2HG PRO 96 -15.530 23.633 -1.246 558 2HG PRO 96 3HG PRO 96 -14.875 23.881 0.383 559 1HD PRO 96 2HD PRO 96 -13.504 22.580 -1.557 560 2HD PRO 96 3HD PRO 96 -13.345 22.171 0.164 561 H PHE 97 H PHE 97 -17.532 19.002 -1.272 562 HA PHE 97 HA PHE 97 -18.949 20.528 -3.323 563 1HB PHE 97 2HB PHE 97 -17.080 19.491 -4.510 564 2HB PHE 97 3HB PHE 97 -17.520 17.916 -3.860 565 HD1 PHE 97 HD1 PHE 97 -18.549 16.516 -5.343 566 HD2 PHE 97 HD2 PHE 97 -19.243 20.704 -5.653 567 HE1 PHE 97 HE1 PHE 97 -20.015 16.127 -7.281 568 HE2 PHE 97 HE2 PHE 97 -20.711 20.321 -7.590 569 HZ PHE 97 HZ PHE 97 -21.099 18.031 -8.406 570 H GLN 98 H GLN 98 -21.012 19.794 -3.768 571 HA GLN 98 HA GLN 98 -23.032 18.889 -3.225 572 1HB GLN 98 2HB GLN 98 -21.204 16.503 -3.224 573 2HB GLN 98 3HB GLN 98 -22.922 16.329 -2.890 574 1HG GLN 98 2HG GLN 98 -21.981 17.742 -5.351 575 2HG GLN 98 3HG GLN 98 -22.068 15.982 -5.292 576 1HE2 GLN 98 1HE2 GLN 98 -23.564 17.660 -7.015 577 2HE2 GLN 98 2HE2 GLN 98 -25.235 17.456 -6.628 578 HN2 GLY 99 H GLY 99 -21.445 20.006 -1.039 579 1HA GLY 99 2HA GLY 99 -22.815 19.994 1.137 580 2HA GLY 99 3HA GLY 99 -22.308 18.313 1.212 581 H ASN 100 H ASN 100 -19.893 17.968 1.104 582 HA ASN 100 HA ASN 100 -18.039 19.966 1.678 583 1HB ASN 100 2HB ASN 100 -19.659 19.136 3.963 584 2HB ASN 100 3HB ASN 100 -17.932 18.929 4.243 585 1HD2 ASN 100 1HD2 ASN 100 -20.025 20.850 5.252 586 2HD2 ASN 100 2HD2 ASN 100 -19.315 22.409 5.022 587 HA PRO 101 HA PRO 101 -16.133 15.710 2.921 588 1HB PRO 101 2HB PRO 101 -17.818 13.592 3.132 589 2HB PRO 101 3HB PRO 101 -17.444 14.661 4.489 590 1HG PRO 101 2HG PRO 101 -19.831 14.658 2.683 591 2HG PRO 101 3HG PRO 101 -19.761 14.860 4.443 592 1HD PRO 101 2HD PRO 101 -20.035 16.953 2.747 593 2HD PRO 101 3HD PRO 101 -19.168 17.082 4.291 594 H LEU 102 H LEU 102 -15.238 15.696 0.884 595 HA LEU 102 HA LEU 102 -16.715 14.258 -1.217 596 1HB LEU 102 2HB LEU 102 -15.584 16.722 -1.349 597 2HB LEU 102 3HB LEU 102 -14.272 15.715 -1.958 598 HG LEU 102 HG LEU 102 -17.010 16.130 -3.124 599 1HD1 LEU 102 1HD1 LEU 102 -14.343 16.249 -4.491 600 2HD1 LEU 102 2HD1 LEU 102 -15.003 17.633 -3.621 601 3HD1 LEU 102 3HD1 LEU 102 -15.879 16.957 -4.993 602 1HD2 LEU 102 1HD2 LEU 102 -16.883 13.847 -3.400 603 2HD2 LEU 102 2HD2 LEU 102 -15.122 13.846 -3.490 604 3HD2 LEU 102 3HD2 LEU 102 -16.075 14.421 -4.859 605 H VAL 103 H VAL 103 -15.980 12.352 -1.908 606 HA VAL 103 HA VAL 103 -13.249 11.552 -1.135 607 HB VAL 103 HB VAL 103 -14.857 10.308 0.189 608 1HG1 VAL 103 1HG1 VAL 103 -16.054 8.763 -1.957 609 2HG1 VAL 103 2HG1 VAL 103 -16.813 9.557 -0.576 610 3HG1 VAL 103 3HG1 VAL 103 -16.477 10.473 -2.045 611 1HG2 VAL 103 1HG2 VAL 103 -13.953 8.366 -1.902 612 2HG2 VAL 103 2HG2 VAL 103 -12.775 9.231 -0.915 613 3HG2 VAL 103 3HG2 VAL 103 -13.972 8.188 -0.147 614 H ILE 104 H ILE 104 -11.953 11.105 -2.783 615 HA ILE 104 HA ILE 104 -13.130 10.115 -5.290 616 HB ILE 104 HB ILE 104 -10.991 11.478 -6.231 617 1HG1 ILE 104 2HG1 ILE 104 -10.818 12.396 -3.789 618 2HG1 ILE 104 3HG1 ILE 104 -10.614 13.497 -5.147 619 1HG2 ILE 104 1HG2 ILE 104 -13.111 11.608 -7.271 620 2HG2 ILE 104 2HG2 ILE 104 -13.835 12.383 -5.862 621 3HG2 ILE 104 3HG2 ILE 104 -12.669 13.263 -6.851 622 1HD1 ILE 104 1HD1 ILE 104 -12.153 14.093 -3.104 623 2HD1 ILE 104 2HD1 ILE 104 -12.582 14.569 -4.747 624 3HD1 ILE 104 3HD1 ILE 104 -13.335 13.153 -4.014 625 H THR 105 H THR 105 -12.198 8.326 -6.037 626 HA THR 105 HA THR 105 -9.394 7.774 -5.442 627 HB THR 105 HB THR 105 -9.997 5.395 -4.820 628 HG1 THR 105 HG1 THR 105 -12.118 5.200 -5.350 629 1HG2 THR 105 1HG2 THR 105 -11.100 7.342 -2.817 630 2HG2 THR 105 2HG2 THR 105 -9.384 7.325 -3.226 631 3HG2 THR 105 3HG2 THR 105 -10.141 5.889 -2.538 632 H PHE 106 H PHE 106 -8.727 5.659 -6.576 633 HA PHE 106 HA PHE 106 -9.611 5.871 -9.327 634 1HB PHE 106 2HB PHE 106 -7.477 4.101 -8.114 635 2HB PHE 106 3HB PHE 106 -7.736 4.386 -9.832 636 HD1 PHE 106 HD1 PHE 106 -6.325 5.675 -6.754 637 HD2 PHE 106 HD2 PHE 106 -7.223 6.581 -10.815 638 HE1 PHE 106 HE1 PHE 106 -4.797 7.602 -6.658 639 HE2 PHE 106 HE2 PHE 106 -5.696 8.509 -10.726 640 HZ PHE 106 HZ PHE 106 -4.481 9.021 -8.646 641 H SER 107 H SER 107 -9.367 3.427 -10.387 642 HA SER 107 HA SER 107 -10.834 1.450 -8.891 643 1HB SER 107 2HB SER 107 -12.299 3.332 -10.419 644 2HB SER 107 3HB SER 107 -12.343 1.809 -11.308 645 HG SER 107 HG SER 107 -13.541 0.957 -9.793 646 H GLU 108 H GLU 108 -11.657 -0.246 -10.785 647 HA GLU 108 HA GLU 108 -9.197 -0.825 -12.295 648 1HB GLU 108 2HB GLU 108 -9.780 -3.172 -12.153 649 2HB GLU 108 3HB GLU 108 -9.774 -2.468 -10.542 650 1HG GLU 108 2HG GLU 108 -12.200 -2.326 -10.575 651 2HG GLU 108 3HG GLU 108 -12.226 -2.988 -12.209 652 H THR 109 H THR 109 -9.354 -1.635 -14.415 653 HA THR 109 HA THR 109 -11.977 -1.299 -15.708 654 HB THR 109 HB THR 109 -10.906 -0.281 -17.656 655 HG1 THR 109 HG1 THR 109 -8.728 0.160 -17.668 656 1HG2 THR 109 1HG2 THR 109 -9.903 1.330 -15.345 657 2HG2 THR 109 2HG2 THR 109 -11.633 1.034 -15.514 658 3HG2 THR 109 3HG2 THR 109 -10.750 1.860 -16.798 659 HA PRO 110 HA PRO 110 -10.062 -5.424 -16.718 660 1HB PRO 110 2HB PRO 110 -12.300 -6.867 -16.187 661 2HB PRO 110 3HB PRO 110 -11.109 -6.452 -14.949 662 1HG PRO 110 2HG PRO 110 -13.729 -5.144 -15.570 663 2HG PRO 110 3HG PRO 110 -13.022 -5.539 -13.992 664 1HD PRO 110 2HD PRO 110 -12.945 -3.043 -15.039 665 2HD PRO 110 3HD PRO 110 -11.657 -3.682 -13.999 666 H GLN 111 H GLN 111 -11.025 -7.109 -18.251 667 HA GLN 111 HA GLN 111 -12.738 -5.793 -20.253 668 1HB GLN 111 2HB GLN 111 -11.422 -7.033 -21.988 669 2HB GLN 111 3HB GLN 111 -10.519 -5.781 -21.146 670 1HG GLN 111 2HG GLN 111 -9.439 -7.445 -19.762 671 2HG GLN 111 3HG GLN 111 -10.394 -8.721 -20.516 672 1HE2 GLN 111 1HE2 GLN 111 -7.564 -6.888 -20.653 673 2HE2 GLN 111 2HE2 GLN 111 -6.985 -7.439 -22.185 674 H SER 112 H SER 112 -13.369 -7.691 -18.076 675 HA SER 112 HA SER 112 -13.814 -10.268 -19.179 676 1HB SER 112 2HB SER 112 -14.218 -8.964 -16.662 677 2HB SER 112 3HB SER 112 -15.712 -9.779 -17.122 678 HG SER 112 HG SER 112 -13.853 -10.960 -15.962 679 H GLN 113 H GLN 113 -15.591 -7.283 -19.236 680 HA GLN 113 HA GLN 113 -18.150 -8.245 -19.841 681 1HB GLN 113 2HB GLN 113 -18.459 -5.984 -20.936 682 2HB GLN 113 3HB GLN 113 -17.939 -5.957 -19.257 683 1HG GLN 113 2HG GLN 113 -15.632 -5.980 -20.920 684 2HG GLN 113 3HG GLN 113 -16.733 -4.727 -21.491 685 1HE2 GLN 113 1HE2 GLN 113 -15.879 -2.895 -20.766 686 2HE2 GLN 113 2HE2 GLN 113 -15.471 -2.562 -19.121 687 H VAL 114 H VAL 114 -15.323 -7.748 -21.849 688 HA VAL 114 HA VAL 114 -16.844 -8.499 -24.242 689 HB VAL 114 HB VAL 114 -14.938 -7.773 -25.539 690 1HG1 VAL 114 1HG1 VAL 114 -15.849 -5.873 -23.398 691 2HG1 VAL 114 2HG1 VAL 114 -14.801 -5.365 -24.723 692 3HG1 VAL 114 3HG1 VAL 114 -16.410 -6.002 -25.064 693 1HG2 VAL 114 1HG2 VAL 114 -12.939 -6.836 -24.487 694 2HG2 VAL 114 2HG2 VAL 114 -13.579 -7.247 -22.896 695 3HG2 VAL 114 3HG2 VAL 114 -13.165 -8.526 -24.038 696 H ALA 115 H ALA 115 -16.013 -10.350 -22.047 697 HA ALA 115 HA ALA 115 -13.923 -11.999 -23.110 698 1HB ALA 115 1HB ALA 115 -14.211 -13.348 -21.240 699 2HB ALA 115 2HB ALA 115 -14.673 -11.749 -20.655 700 3HB ALA 115 3HB ALA 115 -15.916 -12.927 -21.076 701 H GLU 116 H GLU 116 -17.436 -12.492 -22.698 702 HA GLU 116 HA GLU 116 -17.454 -14.855 -24.302 703 1HB GLU 116 2HB GLU 116 -19.097 -14.319 -22.469 704 2HB GLU 116 3HB GLU 116 -19.817 -13.133 -23.548 705 1HG GLU 116 2HG GLU 116 -19.954 -15.193 -25.178 706 2HG GLU 116 3HG GLU 116 -19.888 -16.099 -23.668 707 H ASP 117 H ASP 117 -17.991 -11.452 -24.887 708 HA ASP 117 HA ASP 117 -18.318 -12.055 -27.751 709 1HB ASP 117 2HB ASP 117 -20.333 -11.046 -26.264 710 2HB ASP 117 3HB ASP 117 -19.529 -9.550 -26.732 Start of MODEL 15 1 H THR 22 H THR 22 5.198 -6.385 -23.243 2 HA THR 22 HA THR 22 3.219 -8.252 -23.466 3 HB THR 22 HB THR 22 5.294 -9.478 -21.669 4 HG1 THR 22 HG1 THR 22 4.857 -10.119 -24.414 5 1HG2 THR 22 1HG2 THR 22 3.564 -10.811 -21.210 6 2HG2 THR 22 2HG2 THR 22 3.669 -11.409 -22.865 7 3HG2 THR 22 3HG2 THR 22 2.586 -10.073 -22.478 8 HA PRO 23 HA PRO 23 3.180 -5.388 -19.797 9 1HB PRO 23 2HB PRO 23 0.857 -4.158 -20.478 10 2HB PRO 23 3HB PRO 23 2.436 -3.624 -21.068 11 1HG PRO 23 2HG PRO 23 0.374 -5.310 -22.435 12 2HG PRO 23 3HG PRO 23 1.346 -3.980 -23.091 13 1HD PRO 23 2HD PRO 23 1.958 -6.582 -23.523 14 2HD PRO 23 3HD PRO 23 3.198 -5.317 -23.398 15 HA PRO 24 HA PRO 24 0.472 -8.552 -18.050 16 1HB PRO 24 2HB PRO 24 1.224 -8.094 -15.482 17 2HB PRO 24 3HB PRO 24 2.185 -9.061 -16.607 18 1HG PRO 24 2HG PRO 24 2.528 -6.200 -15.797 19 2HG PRO 24 3HG PRO 24 3.759 -7.460 -16.001 20 1HD PRO 24 2HD PRO 24 3.281 -5.573 -17.883 21 2HD PRO 24 3HD PRO 24 3.808 -7.218 -18.292 22 H HIS 25 H HIS 25 0.799 -5.188 -17.048 23 HA HIS 25 HA HIS 25 -1.846 -5.248 -15.803 24 1HB HIS 25 2HB HIS 25 0.548 -3.564 -15.557 25 2HB HIS 25 3HB HIS 25 -0.963 -2.660 -15.570 26 HD1 HIS 25 HD1 HIS 25 0.392 -5.735 -13.769 27 HD2 HIS 25 HD2 HIS 25 -1.996 -2.402 -13.094 28 HE1 HIS 25 HE1 HIS 25 -0.251 -5.849 -11.340 29 H THR 26 H THR 26 -3.599 -4.189 -16.597 30 HA THR 26 HA THR 26 -3.395 -3.228 -19.348 31 HB THR 26 HB THR 26 -5.947 -3.202 -19.174 32 HG1 THR 26 HG1 THR 26 -5.446 -4.847 -16.907 33 1HG2 THR 26 1HG2 THR 26 -5.444 -5.989 -18.745 34 2HG2 THR 26 2HG2 THR 26 -4.109 -5.288 -19.661 35 3HG2 THR 26 3HG2 THR 26 -5.762 -5.140 -20.257 36 H GLU 27 H GLU 27 -2.231 -1.297 -18.334 37 HA GLU 27 HA GLU 27 -2.209 0.941 -17.927 38 1HB GLU 27 2HB GLU 27 -5.169 0.889 -18.523 39 2HB GLU 27 3HB GLU 27 -4.087 2.271 -18.624 40 1HG GLU 27 2HG GLU 27 -3.117 0.145 -20.284 41 2HG GLU 27 3HG GLU 27 -4.802 0.496 -20.664 42 HA PRO 28 HA PRO 28 -3.327 1.467 -13.715 43 1HB PRO 28 2HB PRO 28 -3.330 4.174 -13.510 44 2HB PRO 28 3HB PRO 28 -1.848 3.224 -13.669 45 1HG PRO 28 2HG PRO 28 -3.366 4.729 -15.764 46 2HG PRO 28 3HG PRO 28 -1.616 4.645 -15.495 47 1HD PRO 28 2HD PRO 28 -2.867 3.190 -17.405 48 2HD PRO 28 3HD PRO 28 -1.423 2.606 -16.552 49 H SER 29 H SER 29 -4.793 3.218 -12.396 50 HA SER 29 HA SER 29 -7.477 2.598 -13.201 51 1HB SER 29 2HB SER 29 -6.593 4.385 -10.926 52 2HB SER 29 3HB SER 29 -8.150 3.577 -11.103 53 HG SER 29 HG SER 29 -6.915 1.570 -11.037 54 H GLN 30 H GLN 30 -8.308 3.702 -14.863 55 HA GLN 30 HA GLN 30 -7.765 6.558 -15.130 56 1HB GLN 30 2HB GLN 30 -9.389 4.855 -17.011 57 2HB GLN 30 3HB GLN 30 -8.600 6.390 -17.347 58 1HG GLN 30 2HG GLN 30 -6.418 5.325 -17.120 59 2HG GLN 30 3HG GLN 30 -7.205 3.786 -16.775 60 1HE2 GLN 30 1HE2 GLN 30 -7.846 2.532 -18.421 61 2HE2 GLN 30 2HE2 GLN 30 -7.728 2.960 -20.090 62 H VAL 31 H VAL 31 -10.143 4.475 -13.902 63 HA VAL 31 HA VAL 31 -12.216 6.554 -14.081 64 HB VAL 31 HB VAL 31 -13.846 4.856 -13.568 65 1HG1 VAL 31 1HG1 VAL 31 -13.908 4.028 -15.654 66 2HG1 VAL 31 2HG1 VAL 31 -12.459 5.005 -15.902 67 3HG1 VAL 31 3HG1 VAL 31 -12.312 3.290 -15.516 68 1HG2 VAL 31 1HG2 VAL 31 -13.190 3.218 -12.196 69 2HG2 VAL 31 2HG2 VAL 31 -12.589 2.412 -13.645 70 3HG2 VAL 31 3HG2 VAL 31 -11.497 3.387 -12.662 71 H VAL 32 H VAL 32 -13.130 7.426 -12.272 72 HA VAL 32 HA VAL 32 -11.922 6.655 -9.696 73 HB VAL 32 HB VAL 32 -12.114 8.911 -8.938 74 1HG1 VAL 32 1HG1 VAL 32 -10.677 10.104 -10.534 75 2HG1 VAL 32 2HG1 VAL 32 -10.146 8.441 -10.283 76 3HG1 VAL 32 3HG1 VAL 32 -11.023 8.875 -11.750 77 1HG2 VAL 32 1HG2 VAL 32 -13.938 10.006 -9.650 78 2HG2 VAL 32 2HG2 VAL 32 -12.911 10.527 -10.985 79 3HG2 VAL 32 3HG2 VAL 32 -13.980 9.139 -11.185 80 H LEU 33 H LEU 33 -13.227 6.301 -7.961 81 HA LEU 33 HA LEU 33 -16.120 6.316 -8.489 82 1HB LEU 33 2HB LEU 33 -15.657 4.141 -7.973 83 2HB LEU 33 3HB LEU 33 -14.315 4.564 -6.912 84 HG LEU 33 HG LEU 33 -15.875 5.186 -5.153 85 1HD1 LEU 33 1HD1 LEU 33 -17.989 5.702 -5.563 86 2HD1 LEU 33 2HD1 LEU 33 -18.292 4.088 -6.206 87 3HD1 LEU 33 3HD1 LEU 33 -17.717 5.369 -7.273 88 1HD2 LEU 33 1HD2 LEU 33 -15.462 3.027 -4.698 89 2HD2 LEU 33 2HD2 LEU 33 -15.792 2.508 -6.352 90 3HD2 LEU 33 3HD2 LEU 33 -17.126 2.778 -5.229 91 H ILE 34 H ILE 34 -17.254 7.865 -7.545 92 HA ILE 34 HA ILE 34 -16.190 9.118 -5.107 93 HB ILE 34 HB ILE 34 -17.660 11.021 -5.623 94 1HG1 ILE 34 2HG1 ILE 34 -19.091 9.267 -7.140 95 2HG1 ILE 34 3HG1 ILE 34 -19.225 11.019 -7.257 96 1HG2 ILE 34 1HG2 ILE 34 -16.459 11.774 -7.688 97 2HG2 ILE 34 2HG2 ILE 34 -15.415 11.167 -6.404 98 3HG2 ILE 34 3HG2 ILE 34 -15.772 10.153 -7.802 99 1HD1 ILE 34 1HD1 ILE 34 -17.777 11.075 -9.141 100 2HD1 ILE 34 2HD1 ILE 34 -17.361 9.372 -8.943 101 3HD1 ILE 34 3HD1 ILE 34 -18.992 9.831 -9.432 102 H THR 35 H THR 35 -17.517 9.472 -3.321 103 HA THR 35 HA THR 35 -20.210 8.348 -3.346 104 HB THR 35 HB THR 35 -19.871 6.922 -1.445 105 HG1 THR 35 HG1 THR 35 -18.245 7.272 -0.148 106 1HG2 THR 35 1HG2 THR 35 -17.670 6.455 -3.463 107 2HG2 THR 35 2HG2 THR 35 -19.348 5.935 -3.624 108 3HG2 THR 35 3HG2 THR 35 -18.330 5.250 -2.358 109 H ASN 36 H ASN 36 -20.931 8.483 -0.791 110 HA ASN 36 HA ASN 36 -21.567 9.874 0.892 111 1HB ASN 36 2HB ASN 36 -18.793 10.260 0.632 112 2HB ASN 36 3HB ASN 36 -19.488 11.874 0.759 113 1HD2 ASN 36 1HD2 ASN 36 -21.219 12.030 2.521 114 2HD2 ASN 36 2HD2 ASN 36 -20.810 11.309 4.037 115 H ILE 37 H ILE 37 -22.173 10.419 -1.982 116 HA ILE 37 HA ILE 37 -22.493 13.321 -2.003 117 HB ILE 37 HB ILE 37 -23.408 12.953 -4.303 118 1HG1 ILE 37 2HG1 ILE 37 -22.435 10.118 -3.905 119 2HG1 ILE 37 3HG1 ILE 37 -24.130 10.590 -3.871 120 1HG2 ILE 37 1HG2 ILE 37 -20.651 11.881 -3.720 121 2HG2 ILE 37 2HG2 ILE 37 -21.221 12.394 -5.308 122 3HG2 ILE 37 3HG2 ILE 37 -21.093 13.566 -3.996 123 1HD1 ILE 37 1HD1 ILE 37 -24.084 10.060 -6.038 124 2HD1 ILE 37 2HD1 ILE 37 -23.328 11.641 -6.240 125 3HD1 ILE 37 3HD1 ILE 37 -22.328 10.192 -6.136 126 H ASN 38 H ASN 38 -24.411 14.360 -1.816 127 HA ASN 38 HA ASN 38 -26.608 12.926 -0.670 128 1HB ASN 38 2HB ASN 38 -25.731 15.629 -0.782 129 2HB ASN 38 3HB ASN 38 -27.373 15.577 -1.417 130 1HD2 ASN 38 1HD2 ASN 38 -25.669 16.062 1.286 131 2HD2 ASN 38 2HD2 ASN 38 -26.815 15.556 2.475 132 HA PRO 39 HA PRO 39 -28.540 11.971 -4.565 133 1HB PRO 39 2HB PRO 39 -30.760 10.823 -3.504 134 2HB PRO 39 3HB PRO 39 -29.196 10.003 -3.578 135 1HG PRO 39 2HG PRO 39 -30.480 11.430 -1.281 136 2HG PRO 39 3HG PRO 39 -29.608 9.886 -1.292 137 1HD PRO 39 2HD PRO 39 -28.464 12.200 -0.473 138 2HD PRO 39 3HD PRO 39 -27.542 10.909 -1.271 139 H GLU 40 H GLU 40 -29.509 14.208 -2.232 140 HA GLU 40 HA GLU 40 -32.093 14.905 -2.890 141 1HB GLU 40 2HB GLU 40 -29.748 16.375 -1.815 142 2HB GLU 40 3HB GLU 40 -31.083 17.345 -2.420 143 1HG GLU 40 2HG GLU 40 -32.500 15.701 -0.923 144 2HG GLU 40 3HG GLU 40 -30.963 15.529 -0.077 145 H VAL 41 H VAL 41 -29.158 15.435 -4.684 146 HA VAL 41 HA VAL 41 -30.492 17.212 -6.577 147 HB VAL 41 HB VAL 41 -28.231 17.823 -5.947 148 1HG1 VAL 41 1HG1 VAL 41 -26.318 16.390 -6.578 149 2HG1 VAL 41 2HG1 VAL 41 -27.351 15.654 -5.350 150 3HG1 VAL 41 3HG1 VAL 41 -27.452 15.117 -7.027 151 1HG2 VAL 41 1HG2 VAL 41 -28.865 18.442 -8.166 152 2HG2 VAL 41 2HG2 VAL 41 -27.193 17.885 -8.222 153 3HG2 VAL 41 3HG2 VAL 41 -28.492 16.832 -8.781 154 HA PRO 42 HA PRO 42 -31.534 13.880 -9.290 155 1HB PRO 42 2HB PRO 42 -32.095 15.374 -11.486 156 2HB PRO 42 3HB PRO 42 -33.180 15.266 -10.095 157 1HG PRO 42 2HG PRO 42 -31.213 17.409 -10.800 158 2HG PRO 42 3HG PRO 42 -32.869 17.568 -10.189 159 1HD PRO 42 2HD PRO 42 -30.696 17.831 -8.595 160 2HD PRO 42 3HD PRO 42 -32.236 17.171 -8.008 161 H LYS 43 H LYS 43 -30.430 12.597 -10.662 162 HA LYS 43 HA LYS 43 -27.768 12.883 -11.216 163 1HB LYS 43 2HB LYS 43 -28.728 10.747 -11.524 164 2HB LYS 43 3HB LYS 43 -29.920 11.357 -12.665 165 1HG LYS 43 2HG LYS 43 -27.160 11.768 -13.523 166 2HG LYS 43 3HG LYS 43 -27.605 10.071 -13.322 167 1HD LYS 43 2HD LYS 43 -29.700 10.673 -14.684 168 2HD LYS 43 3HD LYS 43 -28.820 12.137 -15.131 169 1HE LYS 43 2HE LYS 43 -27.415 11.024 -16.493 170 2HE LYS 43 3HE LYS 43 -27.295 9.641 -15.407 171 1HZ LYS 43 1HZ LYS 43 -28.364 8.954 -17.410 172 2HZ LYS 43 2HZ LYS 43 -29.489 10.215 -17.322 173 3HZ LYS 43 3HZ LYS 43 -29.529 8.965 -16.183 174 H GLU 44 H GLU 44 -30.487 14.120 -13.052 175 HA GLU 44 HA GLU 44 -29.307 14.758 -15.458 176 1HB GLU 44 2HB GLU 44 -31.720 15.313 -14.229 177 2HB GLU 44 3HB GLU 44 -31.015 16.907 -14.460 178 1HG GLU 44 2HG GLU 44 -30.707 16.397 -16.848 179 2HG GLU 44 3HG GLU 44 -31.496 14.841 -16.594 180 H LYS 45 H LYS 45 -29.503 16.868 -12.590 181 HA LYS 45 HA LYS 45 -27.607 18.725 -13.743 182 1HB LYS 45 2HB LYS 45 -29.478 19.573 -12.416 183 2HB LYS 45 3HB LYS 45 -28.920 18.661 -11.019 184 1HG LYS 45 2HG LYS 45 -26.817 20.342 -12.029 185 2HG LYS 45 3HG LYS 45 -28.273 21.286 -11.706 186 1HD LYS 45 2HD LYS 45 -27.216 19.310 -9.709 187 2HD LYS 45 3HD LYS 45 -26.586 20.956 -9.792 188 1HE LYS 45 2HE LYS 45 -29.479 20.200 -9.387 189 2HE LYS 45 3HE LYS 45 -28.373 20.728 -8.121 190 1HZ LYS 45 1HZ LYS 45 -28.086 22.784 -9.625 191 2HZ LYS 45 2HZ LYS 45 -29.477 22.657 -8.672 192 3HZ LYS 45 3HZ LYS 45 -29.547 22.292 -10.322 193 H LEU 46 H LEU 46 -27.692 16.400 -11.073 194 HA LEU 46 HA LEU 46 -25.241 16.908 -9.905 195 1HB LEU 46 2HB LEU 46 -26.176 15.317 -8.655 196 2HB LEU 46 3HB LEU 46 -27.121 14.697 -10.007 197 HG LEU 46 HG LEU 46 -25.116 13.414 -10.739 198 1HD1 LEU 46 1HD1 LEU 46 -23.179 14.183 -9.912 199 2HD1 LEU 46 2HD1 LEU 46 -23.565 13.159 -8.529 200 3HD1 LEU 46 3HD1 LEU 46 -23.945 14.880 -8.484 201 1HD2 LEU 46 1HD2 LEU 46 -25.183 11.905 -8.580 202 2HD2 LEU 46 2HD2 LEU 46 -26.580 12.039 -9.648 203 3HD2 LEU 46 3HD2 LEU 46 -26.519 12.975 -8.153 204 H GLN 47 H GLN 47 -25.955 14.732 -12.625 205 HA GLN 47 HA GLN 47 -23.310 13.857 -13.027 206 1HB GLN 47 2HB GLN 47 -25.231 12.678 -13.968 207 2HB GLN 47 3HB GLN 47 -25.594 14.057 -14.997 208 1HG GLN 47 2HG GLN 47 -22.970 13.476 -15.605 209 2HG GLN 47 3HG GLN 47 -23.705 11.890 -15.379 210 1HE2 GLN 47 1HE2 GLN 47 -24.846 11.059 -16.994 211 2HE2 GLN 47 2HE2 GLN 47 -25.354 11.913 -18.407 212 H ALA 48 H ALA 48 -25.182 16.423 -14.628 213 HA ALA 48 HA ALA 48 -23.227 17.279 -16.418 214 1HB ALA 48 1HB ALA 48 -24.463 19.372 -16.538 215 2HB ALA 48 2HB ALA 48 -25.566 17.995 -16.521 216 3HB ALA 48 3HB ALA 48 -25.334 18.957 -15.061 217 H LEU 49 H LEU 49 -23.643 17.959 -13.009 218 HA LEU 49 HA LEU 49 -21.795 20.126 -12.898 219 1HB LEU 49 2HB LEU 49 -23.552 18.775 -11.118 220 2HB LEU 49 3HB LEU 49 -21.949 18.807 -10.388 221 HG LEU 49 HG LEU 49 -23.144 20.697 -9.582 222 1HD1 LEU 49 1HD1 LEU 49 -21.629 22.163 -11.619 223 2HD1 LEU 49 2HD1 LEU 49 -20.726 20.888 -10.801 224 3HD1 LEU 49 3HD1 LEU 49 -21.482 22.175 -9.862 225 1HD2 LEU 49 1HD2 LEU 49 -24.328 20.666 -12.170 226 2HD2 LEU 49 2HD2 LEU 49 -23.616 22.257 -11.899 227 3HD2 LEU 49 3HD2 LEU 49 -24.791 21.609 -10.753 228 H LEU 50 H LEU 50 -21.575 16.679 -12.050 229 HA LEU 50 HA LEU 50 -18.956 16.632 -11.141 230 1HB LEU 50 2HB LEU 50 -20.538 14.547 -12.627 231 2HB LEU 50 3HB LEU 50 -18.961 14.238 -11.904 232 HG LEU 50 HG LEU 50 -21.447 15.051 -10.397 233 1HD1 LEU 50 1HD1 LEU 50 -20.062 12.387 -10.336 234 2HD1 LEU 50 2HD1 LEU 50 -21.400 12.734 -11.430 235 3HD1 LEU 50 3HD1 LEU 50 -21.643 12.819 -9.685 236 1HD2 LEU 50 1HD2 LEU 50 -18.682 14.285 -9.469 237 2HD2 LEU 50 2HD2 LEU 50 -20.087 14.441 -8.414 238 3HD2 LEU 50 3HD2 LEU 50 -19.473 15.851 -9.280 239 H TYR 51 H TYR 51 -20.188 16.832 -14.388 240 HA TYR 51 HA TYR 51 -17.756 16.108 -15.700 241 1HB TYR 51 2HB TYR 51 -20.104 16.032 -16.687 242 2HB TYR 51 3HB TYR 51 -19.978 17.777 -16.875 243 HD1 TYR 51 HD1 TYR 51 -19.531 14.719 -18.493 244 HD2 TYR 51 HD2 TYR 51 -17.731 18.554 -18.097 245 HE1 TYR 51 HE1 TYR 51 -18.384 14.396 -20.645 246 HE2 TYR 51 HE2 TYR 51 -16.580 18.242 -20.248 247 HH TYR 51 HH TYR 51 -16.490 16.975 -22.122 248 H ALA 52 H ALA 52 -19.357 19.206 -15.013 249 HA ALA 52 HA ALA 52 -17.595 20.940 -16.229 250 1HB ALA 52 1HB ALA 52 -18.266 22.289 -13.933 251 2HB ALA 52 2HB ALA 52 -19.223 22.234 -15.414 252 3HB ALA 52 3HB ALA 52 -19.573 21.115 -14.096 253 H LEU 53 H LEU 53 -17.449 19.797 -12.852 254 HA LEU 53 HA LEU 53 -15.010 21.053 -12.230 255 1HB LEU 53 2HB LEU 53 -16.059 18.513 -11.004 256 2HB LEU 53 3HB LEU 53 -14.968 19.687 -10.272 257 HG LEU 53 HG LEU 53 -17.840 20.273 -10.978 258 1HD1 LEU 53 1HD1 LEU 53 -17.972 20.208 -8.370 259 2HD1 LEU 53 2HD1 LEU 53 -16.597 19.115 -8.528 260 3HD1 LEU 53 3HD1 LEU 53 -18.129 18.723 -9.308 261 1HD2 LEU 53 1HD2 LEU 53 -16.889 21.906 -8.911 262 2HD2 LEU 53 2HD2 LEU 53 -17.248 22.374 -10.573 263 3HD2 LEU 53 3HD2 LEU 53 -15.614 21.878 -10.130 264 H ALA 54 H ALA 54 -15.756 17.839 -13.489 265 HA ALA 54 HA ALA 54 -13.201 16.717 -13.315 266 1HB ALA 54 1HB ALA 54 -13.958 15.153 -15.046 267 2HB ALA 54 2HB ALA 54 -15.177 15.386 -13.792 268 3HB ALA 54 3HB ALA 54 -15.356 16.183 -15.355 269 H SER 55 H SER 55 -14.749 18.329 -16.095 270 HA SER 55 HA SER 55 -12.570 18.215 -17.829 271 1HB SER 55 2HB SER 55 -14.787 18.817 -18.622 272 2HB SER 55 3HB SER 55 -14.770 20.287 -17.648 273 HG SER 55 HG SER 55 -14.021 21.107 -19.448 274 H SER 56 H SER 56 -13.275 20.393 -15.197 275 HA SER 56 HA SER 56 -11.534 22.489 -15.825 276 1HB SER 56 2HB SER 56 -13.241 21.884 -13.726 277 2HB SER 56 3HB SER 56 -11.650 21.902 -12.967 278 HG SER 56 HG SER 56 -12.899 23.975 -13.197 279 H GLN 57 H GLN 57 -10.893 19.282 -14.794 280 HA GLN 57 HA GLN 57 -8.082 19.983 -14.260 281 1HB GLN 57 2HB GLN 57 -9.719 17.641 -13.280 282 2HB GLN 57 3HB GLN 57 -7.982 17.789 -13.051 283 1HG GLN 57 2HG GLN 57 -9.807 19.959 -12.117 284 2HG GLN 57 3HG GLN 57 -9.597 18.495 -11.157 285 1HE2 GLN 57 1HE2 GLN 57 -7.013 17.906 -11.364 286 2HE2 GLN 57 2HE2 GLN 57 -6.025 19.183 -10.750 287 HN2 GLY 58 H GLY 58 -9.709 16.943 -15.146 288 1HA GLY 58 2HA GLY 58 -7.843 16.749 -17.430 289 2HA GLY 58 3HA GLY 58 -8.317 15.365 -16.457 290 H ASP 59 H ASP 59 -8.641 15.025 -19.046 291 HA ASP 59 HA ASP 59 -11.214 15.906 -19.983 292 1HB ASP 59 2HB ASP 59 -8.890 14.753 -21.136 293 2HB ASP 59 3HB ASP 59 -10.237 13.672 -21.483 294 H ILE 60 H ILE 60 -13.082 14.705 -20.207 295 HA ILE 60 HA ILE 60 -13.194 12.268 -18.564 296 HB ILE 60 HB ILE 60 -15.461 14.091 -19.373 297 1HG1 ILE 60 2HG1 ILE 60 -15.297 14.277 -16.672 298 2HG1 ILE 60 3HG1 ILE 60 -13.596 14.074 -17.078 299 1HG2 ILE 60 1HG2 ILE 60 -16.819 12.462 -18.726 300 2HG2 ILE 60 2HG2 ILE 60 -15.433 11.427 -18.384 301 3HG2 ILE 60 3HG2 ILE 60 -16.077 12.482 -17.126 302 1HD1 ILE 60 1HD1 ILE 60 -15.289 16.386 -17.343 303 2HD1 ILE 60 2HD1 ILE 60 -13.534 16.253 -17.451 304 3HD1 ILE 60 3HD1 ILE 60 -14.529 15.969 -18.879 305 H LEU 61 H LEU 61 -13.820 10.371 -19.421 306 HA LEU 61 HA LEU 61 -14.405 10.323 -22.292 307 1HB LEU 61 2HB LEU 61 -13.845 7.897 -20.635 308 2HB LEU 61 3HB LEU 61 -13.576 8.153 -22.357 309 HG LEU 61 HG LEU 61 -11.938 9.245 -20.073 310 1HD1 LEU 61 1HD1 LEU 61 -11.078 7.168 -20.341 311 2HD1 LEU 61 2HD1 LEU 61 -10.212 7.964 -21.655 312 3HD1 LEU 61 3HD1 LEU 61 -11.660 7.018 -21.999 313 1HD2 LEU 61 1HD2 LEU 61 -11.710 10.993 -21.508 314 2HD2 LEU 61 2HD2 LEU 61 -12.113 10.028 -22.928 315 3HD2 LEU 61 3HD2 LEU 61 -10.506 9.912 -22.210 316 H ASP 62 H ASP 62 -15.788 9.649 -19.194 317 HA ASP 62 HA ASP 62 -18.411 9.529 -20.136 318 1HB ASP 62 2HB ASP 62 -18.060 7.421 -21.118 319 2HB ASP 62 3HB ASP 62 -17.062 6.864 -19.778 320 H ILE 63 H ILE 63 -19.607 10.153 -18.469 321 HA ILE 63 HA ILE 63 -18.594 9.655 -15.756 322 HB ILE 63 HB ILE 63 -20.620 11.701 -16.669 323 1HG1 ILE 63 2HG1 ILE 63 -17.703 12.001 -15.922 324 2HG1 ILE 63 3HG1 ILE 63 -18.391 12.208 -17.529 325 1HG2 ILE 63 1HG2 ILE 63 -19.242 11.399 -14.005 326 2HG2 ILE 63 2HG2 ILE 63 -20.425 12.629 -14.445 327 3HG2 ILE 63 3HG2 ILE 63 -20.910 10.937 -14.343 328 1HD1 ILE 63 1HD1 ILE 63 -19.784 14.070 -16.537 329 2HD1 ILE 63 2HD1 ILE 63 -18.742 13.953 -15.118 330 3HD1 ILE 63 3HD1 ILE 63 -18.053 14.368 -16.687 331 H VAL 64 H VAL 64 -19.504 7.971 -14.786 332 HA VAL 64 HA VAL 64 -22.274 7.256 -15.420 333 HB VAL 64 HB VAL 64 -20.240 5.699 -13.818 334 1HG1 VAL 64 1HG1 VAL 64 -21.954 3.847 -14.620 335 2HG1 VAL 64 2HG1 VAL 64 -22.212 4.772 -13.139 336 3HG1 VAL 64 3HG1 VAL 64 -23.060 5.220 -14.619 337 1HG2 VAL 64 1HG2 VAL 64 -19.513 5.960 -16.126 338 2HG2 VAL 64 2HG2 VAL 64 -20.013 4.297 -15.818 339 3HG2 VAL 64 3HG2 VAL 64 -21.080 5.390 -16.699 340 H VAL 65 H VAL 65 -23.855 7.011 -13.839 341 HA VAL 65 HA VAL 65 -23.208 7.851 -11.111 342 HB VAL 65 HB VAL 65 -25.508 9.072 -12.639 343 1HG1 VAL 65 1HG1 VAL 65 -24.323 9.891 -9.995 344 2HG1 VAL 65 2HG1 VAL 65 -25.819 10.463 -10.735 345 3HG1 VAL 65 3HG1 VAL 65 -25.703 8.804 -10.148 346 1HG2 VAL 65 1HG2 VAL 65 -23.713 10.115 -13.646 347 2HG2 VAL 65 2HG2 VAL 65 -24.025 11.187 -12.281 348 3HG2 VAL 65 3HG2 VAL 65 -22.708 10.017 -12.200 349 H ASP 66 H ASP 66 -24.350 6.803 -9.577 350 HA ASP 66 HA ASP 66 -25.814 4.496 -10.238 351 1HB ASP 66 2HB ASP 66 -24.655 5.492 -7.951 352 2HB ASP 66 3HB ASP 66 -26.374 5.598 -7.578 353 H LEU 67 H LEU 67 -28.005 4.518 -8.503 354 HA LEU 67 HA LEU 67 -29.887 6.070 -10.103 355 1HB LEU 67 2HB LEU 67 -31.584 4.695 -8.807 356 2HB LEU 67 3HB LEU 67 -30.542 3.834 -9.938 357 HG LEU 67 HG LEU 67 -31.032 2.785 -7.632 358 1HD1 LEU 67 1HD1 LEU 67 -28.708 2.800 -9.327 359 2HD1 LEU 67 2HD1 LEU 67 -29.454 1.462 -8.455 360 3HD1 LEU 67 3HD1 LEU 67 -28.258 2.479 -7.652 361 1HD2 LEU 67 1HD2 LEU 67 -28.822 4.678 -6.846 362 2HD2 LEU 67 2HD2 LEU 67 -29.587 3.453 -5.834 363 3HD2 LEU 67 3HD2 LEU 67 -30.509 4.859 -6.368 364 H SER 68 H SER 68 -28.115 7.117 -7.857 365 HA SER 68 HA SER 68 -28.242 8.558 -6.094 366 1HB SER 68 2HB SER 68 -29.249 10.016 -7.730 367 2HB SER 68 3HB SER 68 -30.816 9.231 -7.535 368 HG SER 68 HG SER 68 -30.483 11.280 -6.377 369 H ASP 69 H ASP 69 -28.669 6.271 -5.031 370 HA ASP 69 HA ASP 69 -31.262 5.918 -3.861 371 1HB ASP 69 2HB ASP 69 -28.871 4.386 -4.117 372 2HB ASP 69 3HB ASP 69 -29.285 4.471 -2.407 373 H ASP 70 H ASP 70 -31.863 6.197 -1.705 374 HA ASP 70 HA ASP 70 -30.667 8.451 -0.406 375 1HB ASP 70 2HB ASP 70 -33.113 6.884 -0.153 376 2HB ASP 70 3HB ASP 70 -32.442 7.338 1.411 377 H ASN 71 H ASN 71 -29.878 5.229 -0.455 378 HA ASN 71 HA ASN 71 -28.605 5.401 2.198 379 1HB ASN 71 2HB ASN 71 -30.476 3.615 1.716 380 2HB ASN 71 3HB ASN 71 -29.169 2.761 0.901 381 1HD2 ASN 71 1HD2 ASN 71 -29.061 1.089 2.338 382 2HD2 ASN 71 2HD2 ASN 71 -28.508 1.272 3.965 383 H SER 72 H SER 72 -28.109 5.298 -1.105 384 HA SER 72 HA SER 72 -25.375 4.251 -0.768 385 1HB SER 72 2HB SER 72 -26.744 2.910 -2.317 386 2HB SER 72 3HB SER 72 -27.052 4.349 -3.289 387 HG SER 72 HG SER 72 -25.131 2.726 -3.679 388 HN2 GLY 73 H GLY 73 -26.966 6.294 -3.215 389 1HA GLY 73 2HA GLY 73 -26.287 8.260 -4.194 390 2HA GLY 73 3HA GLY 73 -25.874 8.741 -2.555 391 H LYS 74 H LYS 74 -24.669 7.372 -5.539 392 HA LYS 74 HA LYS 74 -22.034 8.398 -4.968 393 1HB LYS 74 2HB LYS 74 -20.883 6.247 -5.323 394 2HB LYS 74 3HB LYS 74 -21.881 6.232 -3.875 395 1HG LYS 74 2HG LYS 74 -23.513 4.874 -4.887 396 2HG LYS 74 3HG LYS 74 -22.850 5.145 -6.500 397 1HD LYS 74 2HD LYS 74 -21.063 3.716 -6.146 398 2HD LYS 74 3HD LYS 74 -21.161 3.865 -4.390 399 1HE LYS 74 2HE LYS 74 -23.602 2.782 -5.082 400 2HE LYS 74 3HE LYS 74 -22.479 1.991 -6.186 401 1HZ LYS 74 1HZ LYS 74 -21.465 2.103 -3.518 402 2HZ LYS 74 2HZ LYS 74 -21.655 0.770 -4.541 403 3HZ LYS 74 3HZ LYS 74 -22.950 1.295 -3.587 404 H ALA 75 H ALA 75 -20.513 7.578 -6.886 405 HA ALA 75 HA ALA 75 -21.762 7.048 -9.383 406 1HB ALA 75 1HB ALA 75 -22.552 9.310 -9.230 407 2HB ALA 75 2HB ALA 75 -20.932 9.896 -8.853 408 3HB ALA 75 3HB ALA 75 -21.281 9.237 -10.451 409 H TYR 76 H TYR 76 -20.085 7.760 -11.226 410 HA TYR 76 HA TYR 76 -17.338 7.434 -10.294 411 1HB TYR 76 2HB TYR 76 -18.272 5.655 -12.516 412 2HB TYR 76 3HB TYR 76 -16.886 5.467 -11.448 413 HD1 TYR 76 HD1 TYR 76 -20.536 5.073 -11.730 414 HD2 TYR 76 HD2 TYR 76 -17.097 4.373 -9.324 415 HE1 TYR 76 HE1 TYR 76 -21.846 3.548 -10.312 416 HE2 TYR 76 HE2 TYR 76 -18.397 2.846 -7.900 417 HH TYR 76 HH TYR 76 -21.551 1.761 -8.768 418 H ILE 77 H ILE 77 -16.006 8.715 -11.390 419 HA ILE 77 HA ILE 77 -16.942 9.826 -13.950 420 HB ILE 77 HB ILE 77 -14.834 11.005 -12.144 421 1HG1 ILE 77 2HG1 ILE 77 -17.779 11.675 -12.336 422 2HG1 ILE 77 3HG1 ILE 77 -16.973 10.937 -10.956 423 1HG2 ILE 77 1HG2 ILE 77 -14.700 12.741 -13.588 424 2HG2 ILE 77 2HG2 ILE 77 -15.237 11.520 -14.740 425 3HG2 ILE 77 3HG2 ILE 77 -16.402 12.641 -14.038 426 1HD1 ILE 77 1HD1 ILE 77 -17.026 13.084 -10.244 427 2HD1 ILE 77 2HD1 ILE 77 -15.502 13.133 -11.131 428 3HD1 ILE 77 3HD1 ILE 77 -16.977 13.746 -11.877 429 H VAL 78 H VAL 78 -16.056 8.774 -15.608 430 HA VAL 78 HA VAL 78 -13.434 7.568 -15.406 431 HB VAL 78 HB VAL 78 -15.176 7.751 -17.862 432 1HG1 VAL 78 1HG1 VAL 78 -12.581 6.797 -17.472 433 2HG1 VAL 78 2HG1 VAL 78 -13.602 5.359 -17.556 434 3HG1 VAL 78 3HG1 VAL 78 -13.618 6.531 -18.874 435 1HG2 VAL 78 1HG2 VAL 78 -16.080 5.576 -17.253 436 2HG2 VAL 78 2HG2 VAL 78 -15.147 5.590 -15.756 437 3HG2 VAL 78 3HG2 VAL 78 -16.439 6.766 -16.001 438 H PHE 79 H PHE 79 -11.587 8.494 -15.986 439 HA PHE 79 HA PHE 79 -11.704 10.953 -17.599 440 1HB PHE 79 2HB PHE 79 -9.787 10.025 -15.471 441 2HB PHE 79 3HB PHE 79 -9.360 11.311 -16.595 442 HD1 PHE 79 HD1 PHE 79 -11.374 10.377 -13.718 443 HD2 PHE 79 HD2 PHE 79 -10.539 13.450 -16.542 444 HE1 PHE 79 HE1 PHE 79 -12.523 12.008 -12.278 445 HE2 PHE 79 HE2 PHE 79 -11.685 15.086 -15.106 446 HZ PHE 79 HZ PHE 79 -12.678 14.366 -12.970 447 H ALA 80 H ALA 80 -9.407 11.316 -18.681 448 HA ALA 80 HA ALA 80 -9.194 9.425 -20.747 449 1HB ALA 80 1HB ALA 80 -7.623 10.813 -21.680 450 2HB ALA 80 2HB ALA 80 -8.462 11.936 -20.610 451 3HB ALA 80 3HB ALA 80 -6.916 11.242 -20.122 452 H THR 81 H THR 81 -7.247 9.950 -17.839 453 HA THR 81 HA THR 81 -6.421 7.218 -17.774 454 HB THR 81 HB THR 81 -3.931 8.660 -17.785 455 HG1 THR 81 HG1 THR 81 -4.921 10.034 -19.303 456 1HG2 THR 81 1HG2 THR 81 -3.895 6.323 -18.049 457 2HG2 THR 81 2HG2 THR 81 -3.485 6.956 -19.643 458 3HG2 THR 81 3HG2 THR 81 -5.114 6.363 -19.322 459 H GLN 82 H GLN 82 -4.776 6.868 -15.974 460 HA GLN 82 HA GLN 82 -5.741 7.852 -13.581 461 1HB GLN 82 2HB GLN 82 -3.998 5.916 -14.225 462 2HB GLN 82 3HB GLN 82 -2.863 7.134 -13.660 463 1HG GLN 82 2HG GLN 82 -5.138 6.769 -11.880 464 2HG GLN 82 3HG GLN 82 -4.174 5.310 -12.097 465 1HE2 GLN 82 1HE2 GLN 82 -3.049 5.168 -10.269 466 2HE2 GLN 82 2HE2 GLN 82 -2.023 6.402 -9.630 467 H GLU 83 H GLU 83 -3.362 9.216 -15.726 468 HA GLU 83 HA GLU 83 -2.077 10.990 -13.997 469 1HB GLU 83 2HB GLU 83 -2.668 11.111 -16.947 470 2HB GLU 83 3HB GLU 83 -1.779 12.389 -16.129 471 1HG GLU 83 2HG GLU 83 -0.004 10.938 -15.579 472 2HG GLU 83 3HG GLU 83 -0.940 9.510 -16.016 473 H SER 84 H SER 84 -4.931 11.541 -16.055 474 HA SER 84 HA SER 84 -5.391 14.168 -15.036 475 1HB SER 84 2HB SER 84 -6.684 12.349 -16.963 476 2HB SER 84 3HB SER 84 -7.785 13.447 -16.131 477 HG SER 84 HG SER 84 -6.276 14.010 -18.177 478 H ALA 85 H ALA 85 -6.890 11.001 -14.474 479 HA ALA 85 HA ALA 85 -8.937 11.748 -12.770 480 1HB ALA 85 1HB ALA 85 -7.807 9.350 -13.630 481 2HB ALA 85 2HB ALA 85 -7.721 9.293 -11.869 482 3HB ALA 85 3HB ALA 85 -9.272 9.553 -12.669 483 H GLN 86 H GLN 86 -5.669 10.670 -11.816 484 HA GLN 86 HA GLN 86 -5.930 11.101 -9.083 485 1HB GLN 86 2HB GLN 86 -4.056 9.869 -9.987 486 2HB GLN 86 3HB GLN 86 -3.479 11.296 -10.839 487 1HG GLN 86 2HG GLN 86 -2.630 12.256 -8.950 488 2HG GLN 86 3HG GLN 86 -3.770 11.434 -7.886 489 1HE2 GLN 86 1HE2 GLN 86 -2.818 10.046 -6.599 490 2HE2 GLN 86 2HE2 GLN 86 -1.451 9.062 -6.983 491 H ALA 87 H ALA 87 -5.177 13.348 -11.669 492 HA ALA 87 HA ALA 87 -4.311 15.503 -10.063 493 1HB ALA 87 1HB ALA 87 -3.774 16.141 -12.128 494 2HB ALA 87 2HB ALA 87 -4.961 15.056 -12.854 495 3HB ALA 87 3HB ALA 87 -5.452 16.657 -12.300 496 H PHE 88 H PHE 88 -7.497 14.640 -11.367 497 HA PHE 88 HA PHE 88 -8.805 16.914 -10.232 498 1HB PHE 88 2HB PHE 88 -9.812 15.967 -12.168 499 2HB PHE 88 3HB PHE 88 -9.818 14.354 -11.464 500 HD1 PHE 88 HD1 PHE 88 -11.496 17.583 -11.605 501 HD2 PHE 88 HD2 PHE 88 -11.468 13.734 -9.788 502 HE1 PHE 88 HE1 PHE 88 -13.786 17.957 -10.785 503 HE2 PHE 88 HE2 PHE 88 -13.758 14.101 -8.966 504 HZ PHE 88 HZ PHE 88 -14.920 16.214 -9.465 505 H VAL 89 H VAL 89 -8.245 13.598 -9.241 506 HA VAL 89 HA VAL 89 -10.071 13.546 -7.080 507 HB VAL 89 HB VAL 89 -7.544 11.946 -7.503 508 1HG1 VAL 89 1HG1 VAL 89 -7.830 11.293 -5.389 509 2HG1 VAL 89 2HG1 VAL 89 -9.411 12.070 -5.279 510 3HG1 VAL 89 3HG1 VAL 89 -9.270 10.448 -5.957 511 1HG2 VAL 89 1HG2 VAL 89 -9.906 11.910 -8.940 512 2HG2 VAL 89 2HG2 VAL 89 -8.695 10.630 -8.889 513 3HG2 VAL 89 3HG2 VAL 89 -10.083 10.573 -7.803 514 H GLU 90 H GLU 90 -6.649 14.407 -7.322 515 HA GLU 90 HA GLU 90 -6.422 14.909 -4.489 516 1HB GLU 90 2HB GLU 90 -4.150 15.379 -4.890 517 2HB GLU 90 3HB GLU 90 -4.551 14.090 -6.016 518 1HG GLU 90 2HG GLU 90 -3.536 15.394 -7.518 519 2HG GLU 90 3HG GLU 90 -5.067 16.266 -7.536 520 H ALA 91 H ALA 91 -7.203 16.702 -7.340 521 HA ALA 91 HA ALA 91 -6.643 19.296 -6.255 522 1HB ALA 91 1HB ALA 91 -6.601 18.946 -8.652 523 2HB ALA 91 2HB ALA 91 -8.303 18.482 -8.638 524 3HB ALA 91 3HB ALA 91 -7.835 20.135 -8.236 525 H PHE 92 H PHE 92 -9.285 17.079 -6.114 526 HA PHE 92 HA PHE 92 -10.908 19.127 -4.752 527 1HB PHE 92 2HB PHE 92 -11.779 16.891 -6.578 528 2HB PHE 92 3HB PHE 92 -12.895 17.701 -5.484 529 HD1 PHE 92 HD1 PHE 92 -10.315 18.595 -8.030 530 HD2 PHE 92 HD2 PHE 92 -14.138 19.419 -6.348 531 HE1 PHE 92 HE1 PHE 92 -10.670 20.359 -9.708 532 HE2 PHE 92 HE2 PHE 92 -14.499 21.183 -8.024 533 HZ PHE 92 HZ PHE 92 -12.764 21.655 -9.708 534 H GLN 93 H GLN 93 -8.991 16.659 -4.123 535 HA GLN 93 HA GLN 93 -10.313 14.727 -2.702 536 1HB GLN 93 2HB GLN 93 -7.980 14.485 -2.945 537 2HB GLN 93 3HB GLN 93 -7.657 16.056 -2.224 538 1HG GLN 93 2HG GLN 93 -7.047 14.253 -0.719 539 2HG GLN 93 3HG GLN 93 -8.361 15.221 -0.052 540 1HE2 GLN 93 1HE2 GLN 93 -8.145 12.496 -2.319 541 2HE2 GLN 93 2HE2 GLN 93 -9.306 11.507 -1.506 542 HN2 GLY 94 H GLY 94 -9.657 18.040 -1.751 543 1HA GLY 94 2HA GLY 94 -11.382 17.615 0.602 544 2HA GLY 94 3HA GLY 94 -9.862 18.483 0.763 545 H TYR 95 H TYR 95 -12.728 18.544 -1.362 546 HA TYR 95 HA TYR 95 -12.853 21.452 -0.934 547 1HB TYR 95 2HB TYR 95 -11.896 21.096 -3.136 548 2HB TYR 95 3HB TYR 95 -13.198 19.990 -3.560 549 HD1 TYR 95 HD1 TYR 95 -12.169 23.454 -3.322 550 HD2 TYR 95 HD2 TYR 95 -15.504 20.873 -3.887 551 HE1 TYR 95 HE1 TYR 95 -13.469 25.340 -4.217 552 HE2 TYR 95 HE2 TYR 95 -16.813 22.751 -4.785 553 HH TYR 95 HH TYR 95 -16.337 24.962 -5.898 554 HA PRO 96 HA PRO 96 -17.041 20.602 0.172 555 1HB PRO 96 2HB PRO 96 -17.983 23.145 0.050 556 2HB PRO 96 3HB PRO 96 -16.954 22.564 1.364 557 1HG PRO 96 2HG PRO 96 -16.212 24.157 -1.060 558 2HG PRO 96 3HG PRO 96 -15.683 24.364 0.620 559 1HD PRO 96 2HD PRO 96 -14.153 23.140 -1.249 560 2HD PRO 96 3HD PRO 96 -14.115 22.682 0.466 561 H PHE 97 H PHE 97 -18.026 19.465 -1.440 562 HA PHE 97 HA PHE 97 -19.275 21.048 -3.576 563 1HB PHE 97 2HB PHE 97 -17.418 19.934 -4.635 564 2HB PHE 97 3HB PHE 97 -17.859 18.398 -3.897 565 HD1 PHE 97 HD1 PHE 97 -19.365 21.021 -6.083 566 HD2 PHE 97 HD2 PHE 97 -18.976 16.876 -5.196 567 HE1 PHE 97 HE1 PHE 97 -20.734 20.474 -8.053 568 HE2 PHE 97 HE2 PHE 97 -20.343 16.323 -7.165 569 HZ PHE 97 HZ PHE 97 -21.224 18.123 -8.597 570 H GLN 98 H GLN 98 -21.291 20.301 -4.297 571 HA GLN 98 HA GLN 98 -23.379 19.439 -4.022 572 1HB GLN 98 2HB GLN 98 -21.561 17.261 -4.046 573 2HB GLN 98 3HB GLN 98 -22.781 16.907 -2.830 574 1HG GLN 98 2HG GLN 98 -23.176 17.434 -5.757 575 2HG GLN 98 3HG GLN 98 -23.558 15.975 -4.845 576 1HE2 GLN 98 1HE2 GLN 98 -24.790 18.756 -6.168 577 2HE2 GLN 98 2HE2 GLN 98 -26.293 18.822 -5.317 578 HN2 GLY 99 H GLY 99 -22.004 20.806 -1.746 579 1HA GLY 99 2HA GLY 99 -23.646 21.309 0.131 580 2HA GLY 99 3HA GLY 99 -23.499 19.595 0.491 581 H ASN 100 H ASN 100 -21.005 18.945 0.559 582 HA ASN 100 HA ASN 100 -19.103 20.767 1.474 583 1HB ASN 100 2HB ASN 100 -21.089 20.024 3.461 584 2HB ASN 100 3HB ASN 100 -19.464 19.571 3.969 585 1HD2 ASN 100 1HD2 ASN 100 -17.803 21.360 3.520 586 2HD2 ASN 100 2HD2 ASN 100 -18.278 22.951 4.001 587 HA PRO 101 HA PRO 101 -17.695 16.325 2.727 588 1HB PRO 101 2HB PRO 101 -19.542 14.339 2.599 589 2HB PRO 101 3HB PRO 101 -19.280 15.314 4.050 590 1HG PRO 101 2HG PRO 101 -21.393 15.578 1.946 591 2HG PRO 101 3HG PRO 101 -21.548 15.696 3.708 592 1HD PRO 101 2HD PRO 101 -21.438 17.876 2.106 593 2HD PRO 101 3HD PRO 101 -20.782 17.870 3.755 594 H LEU 102 H LEU 102 -16.492 16.166 0.898 595 HA LEU 102 HA LEU 102 -17.717 14.757 -1.376 596 1HB LEU 102 2HB LEU 102 -17.511 17.007 -2.096 597 2HB LEU 102 3HB LEU 102 -15.886 17.141 -1.427 598 HG LEU 102 HG LEU 102 -15.179 15.432 -3.162 599 1HD1 LEU 102 1HD1 LEU 102 -17.980 15.431 -3.648 600 2HD1 LEU 102 2HD1 LEU 102 -16.722 14.470 -4.424 601 3HD1 LEU 102 3HD1 LEU 102 -17.162 16.045 -5.084 602 1HD2 LEU 102 1HD2 LEU 102 -15.897 18.256 -3.547 603 2HD2 LEU 102 2HD2 LEU 102 -15.643 17.337 -5.031 604 3HD2 LEU 102 3HD2 LEU 102 -14.366 17.423 -3.817 605 H VAL 103 H VAL 103 -16.733 12.898 -1.777 606 HA VAL 103 HA VAL 103 -13.893 12.619 -1.035 607 HB VAL 103 HB VAL 103 -15.453 11.272 0.378 608 1HG1 VAL 103 1HG1 VAL 103 -16.772 10.767 -1.955 609 2HG1 VAL 103 2HG1 VAL 103 -15.879 9.265 -1.711 610 3HG1 VAL 103 3HG1 VAL 103 -16.975 9.854 -0.460 611 1HG2 VAL 103 1HG2 VAL 103 -13.390 9.939 -1.346 612 2HG2 VAL 103 2HG2 VAL 103 -13.246 10.493 0.322 613 3HG2 VAL 103 3HG2 VAL 103 -14.218 9.070 -0.054 614 H ILE 104 H ILE 104 -12.510 11.831 -2.530 615 HA ILE 104 HA ILE 104 -13.613 10.714 -5.011 616 HB ILE 104 HB ILE 104 -11.536 12.050 -6.048 617 1HG1 ILE 104 2HG1 ILE 104 -11.295 13.075 -3.642 618 2HG1 ILE 104 3HG1 ILE 104 -11.080 14.094 -5.061 619 1HG2 ILE 104 1HG2 ILE 104 -14.397 12.820 -5.677 620 2HG2 ILE 104 2HG2 ILE 104 -13.300 13.904 -6.530 621 3HG2 ILE 104 3HG2 ILE 104 -13.563 12.266 -7.128 622 1HD1 ILE 104 1HD1 ILE 104 -13.791 13.890 -3.871 623 2HD1 ILE 104 2HD1 ILE 104 -12.568 14.853 -3.041 624 3HD1 ILE 104 3HD1 ILE 104 -13.016 15.238 -4.702 625 H THR 105 H THR 105 -12.656 8.873 -5.555 626 HA THR 105 HA THR 105 -9.836 8.448 -4.932 627 HB THR 105 HB THR 105 -10.273 6.202 -3.995 628 HG1 THR 105 HG1 THR 105 -12.411 5.674 -3.405 629 1HG2 THR 105 1HG2 THR 105 -11.690 8.393 -2.474 630 2HG2 THR 105 2HG2 THR 105 -9.944 8.153 -2.510 631 3HG2 THR 105 3HG2 THR 105 -10.989 6.926 -1.793 632 H PHE 106 H PHE 106 -9.125 6.247 -5.864 633 HA PHE 106 HA PHE 106 -10.067 6.161 -8.610 634 1HB PHE 106 2HB PHE 106 -7.821 4.583 -7.344 635 2HB PHE 106 3HB PHE 106 -8.108 4.825 -9.064 636 HD1 PHE 106 HD1 PHE 106 -6.890 6.345 -5.971 637 HD2 PHE 106 HD2 PHE 106 -7.543 6.910 -10.139 638 HE1 PHE 106 HE1 PHE 106 -5.452 8.340 -5.922 639 HE2 PHE 106 HE2 PHE 106 -6.105 8.906 -10.097 640 HZ PHE 106 HZ PHE 106 -5.057 9.623 -7.987 641 H SER 107 H SER 107 -9.917 3.767 -9.553 642 HA SER 107 HA SER 107 -11.395 1.953 -7.778 643 1HB SER 107 2HB SER 107 -12.285 3.092 -10.380 644 2HB SER 107 3HB SER 107 -12.656 1.396 -10.071 645 HG SER 107 HG SER 107 -13.930 1.953 -8.422 646 H GLU 108 H GLU 108 -11.714 -0.234 -9.098 647 HA GLU 108 HA GLU 108 -9.024 -0.970 -10.017 648 1HB GLU 108 2HB GLU 108 -9.666 -3.282 -9.462 649 2HB GLU 108 3HB GLU 108 -9.807 -2.209 -8.076 650 1HG GLU 108 2HG GLU 108 -12.227 -2.064 -8.451 651 2HG GLU 108 3HG GLU 108 -12.070 -3.178 -9.808 652 H THR 109 H THR 109 -8.673 -1.618 -12.045 653 HA THR 109 HA THR 109 -11.019 -2.146 -13.752 654 HB THR 109 HB THR 109 -9.796 -1.230 -15.645 655 HG1 THR 109 HG1 THR 109 -7.679 -1.444 -15.334 656 1HG2 THR 109 1HG2 THR 109 -11.089 0.249 -13.976 657 2HG2 THR 109 2HG2 THR 109 -10.008 1.040 -15.123 658 3HG2 THR 109 3HG2 THR 109 -9.499 0.799 -13.452 659 HA PRO 110 HA PRO 110 -8.270 -5.917 -13.658 660 1HB PRO 110 2HB PRO 110 -10.276 -7.677 -13.158 661 2HB PRO 110 3HB PRO 110 -9.397 -6.833 -11.877 662 1HG PRO 110 2HG PRO 110 -12.067 -6.203 -13.074 663 2HG PRO 110 3HG PRO 110 -11.572 -6.184 -11.372 664 1HD PRO 110 2HD PRO 110 -11.764 -3.929 -12.858 665 2HD PRO 110 3HD PRO 110 -10.572 -4.115 -11.555 666 H GLN 111 H GLN 111 -8.852 -8.085 -14.869 667 HA GLN 111 HA GLN 111 -9.983 -7.299 -17.467 668 1HB GLN 111 2HB GLN 111 -8.092 -9.581 -16.881 669 2HB GLN 111 3HB GLN 111 -8.587 -9.003 -18.467 670 1HG GLN 111 2HG GLN 111 -6.947 -7.524 -18.501 671 2HG GLN 111 3HG GLN 111 -7.465 -6.845 -16.958 672 1HE2 GLN 111 1HE2 GLN 111 -5.707 -6.663 -15.758 673 2HE2 GLN 111 2HE2 GLN 111 -4.541 -7.907 -15.478 674 H SER 112 H SER 112 -11.926 -7.883 -15.779 675 HA SER 112 HA SER 112 -12.623 -10.562 -15.398 676 1HB SER 112 2HB SER 112 -13.710 -8.482 -14.381 677 2HB SER 112 3HB SER 112 -14.628 -8.359 -15.882 678 HG SER 112 HG SER 112 -15.293 -9.760 -13.830 679 H GLN 113 H GLN 113 -12.792 -8.547 -18.211 680 HA GLN 113 HA GLN 113 -14.744 -9.879 -19.698 681 1HB GLN 113 2HB GLN 113 -13.632 -8.926 -21.680 682 2HB GLN 113 3HB GLN 113 -13.833 -7.738 -20.399 683 1HG GLN 113 2HG GLN 113 -11.394 -8.528 -19.771 684 2HG GLN 113 3HG GLN 113 -11.362 -8.971 -21.477 685 1HE2 GLN 113 1HE2 GLN 113 -9.777 -6.974 -20.194 686 2HE2 GLN 113 2HE2 GLN 113 -10.167 -5.459 -20.926 687 H VAL 114 H VAL 114 -11.490 -10.768 -18.916 688 HA VAL 114 HA VAL 114 -10.108 -12.443 -19.714 689 HB VAL 114 HB VAL 114 -11.161 -14.685 -19.429 690 1HG1 VAL 114 1HG1 VAL 114 -10.487 -14.299 -17.345 691 2HG1 VAL 114 2HG1 VAL 114 -10.897 -12.587 -17.465 692 3HG1 VAL 114 3HG1 VAL 114 -12.126 -13.758 -16.986 693 1HG2 VAL 114 1HG2 VAL 114 -13.393 -14.113 -20.256 694 2HG2 VAL 114 2HG2 VAL 114 -13.466 -14.828 -18.646 695 3HG2 VAL 114 3HG2 VAL 114 -13.652 -13.085 -18.846 696 H ALA 115 H ALA 115 -10.904 -11.060 -21.914 697 HA ALA 115 HA ALA 115 -12.140 -12.752 -23.872 698 1HB ALA 115 1HB ALA 115 -12.352 -10.853 -25.003 699 2HB ALA 115 2HB ALA 115 -11.563 -10.029 -23.657 700 3HB ALA 115 3HB ALA 115 -10.606 -10.604 -25.023 701 H GLU 116 H GLU 116 -8.834 -11.848 -23.034 702 HA GLU 116 HA GLU 116 -7.546 -12.981 -25.259 703 1HB GLU 116 2HB GLU 116 -6.684 -11.479 -23.235 704 2HB GLU 116 3HB GLU 116 -6.202 -13.046 -22.602 705 1HG GLU 116 2HG GLU 116 -4.444 -13.132 -23.943 706 2HG GLU 116 3HG GLU 116 -5.428 -12.778 -25.361 707 H ASP 117 H ASP 117 -8.381 -14.341 -22.096 708 HA ASP 117 HA ASP 117 -7.140 -16.835 -22.425 709 1HB ASP 117 2HB ASP 117 -8.645 -15.588 -20.445 710 2HB ASP 117 3HB ASP 117 -9.616 -16.985 -20.903 Start of MODEL 16 1 H THR 22 H THR 22 -0.026 -2.614 1.695 2 HA THR 22 HA THR 22 -2.090 -1.248 0.250 3 HB THR 22 HB THR 22 -0.151 0.282 -0.426 4 HG1 THR 22 HG1 THR 22 1.802 -0.212 0.265 5 1HG2 THR 22 1HG2 THR 22 -0.648 -0.148 2.523 6 2HG2 THR 22 2HG2 THR 22 -1.699 0.758 1.434 7 3HG2 THR 22 3HG2 THR 22 -0.065 1.334 1.766 8 HA PRO 23 HA PRO 23 -0.615 -3.964 -3.240 9 1HB PRO 23 2HB PRO 23 -3.103 -4.646 -4.088 10 2HB PRO 23 3HB PRO 23 -2.236 -5.541 -2.833 11 1HG PRO 23 2HG PRO 23 -4.371 -3.462 -2.545 12 2HG PRO 23 3HG PRO 23 -4.177 -4.994 -1.674 13 1HD PRO 23 2HD PRO 23 -3.453 -2.612 -0.610 14 2HD PRO 23 3HD PRO 23 -2.599 -4.123 -0.238 15 HA PRO 24 HA PRO 24 -1.296 -0.224 -5.678 16 1HB PRO 24 2HB PRO 24 0.651 -0.781 -7.486 17 2HB PRO 24 3HB PRO 24 0.987 -0.086 -5.896 18 1HG PRO 24 2HG PRO 24 1.204 -2.930 -6.805 19 2HG PRO 24 3HG PRO 24 2.319 -1.990 -5.796 20 1HD PRO 24 2HD PRO 24 0.556 -3.762 -4.756 21 2HD PRO 24 3HD PRO 24 1.052 -2.291 -3.894 22 H HIS 25 H HIS 25 -1.451 0.058 -8.162 23 HA HIS 25 HA HIS 25 -2.807 -2.271 -9.347 24 1HB HIS 25 2HB HIS 25 -4.363 -0.592 -10.443 25 2HB HIS 25 3HB HIS 25 -4.581 -0.823 -8.711 26 HD1 HIS 25 HD1 HIS 25 -3.564 1.108 -7.161 27 HD2 HIS 25 HD2 HIS 25 -3.844 1.981 -11.213 28 HE1 HIS 25 HE1 HIS 25 -3.346 3.608 -7.327 29 H THR 26 H THR 26 -0.772 -2.660 -10.412 30 HA THR 26 HA THR 26 0.593 -0.864 -12.035 31 HB THR 26 HB THR 26 0.487 -3.593 -13.116 32 HG1 THR 26 HG1 THR 26 0.976 -4.646 -11.315 33 1HG2 THR 26 1HG2 THR 26 2.246 -1.963 -13.661 34 2HG2 THR 26 2HG2 THR 26 2.910 -3.407 -12.897 35 3HG2 THR 26 3HG2 THR 26 2.724 -1.922 -11.964 36 H GLU 27 H GLU 27 -2.010 -3.125 -12.918 37 HA GLU 27 HA GLU 27 -2.155 -2.656 -15.624 38 1HB GLU 27 2HB GLU 27 -4.254 -3.309 -13.580 39 2HB GLU 27 3HB GLU 27 -4.699 -3.052 -15.262 40 1HG GLU 27 2HG GLU 27 -3.244 -4.855 -15.957 41 2HG GLU 27 3HG GLU 27 -2.699 -5.083 -14.296 42 HA PRO 28 HA PRO 28 -3.557 1.446 -16.295 43 1HB PRO 28 2HB PRO 28 -5.235 1.132 -18.406 44 2HB PRO 28 3HB PRO 28 -3.478 0.994 -18.546 45 1HG PRO 28 2HG PRO 28 -5.536 -1.168 -18.317 46 2HG PRO 28 3HG PRO 28 -4.115 -1.083 -19.375 47 1HD PRO 28 2HD PRO 28 -4.143 -2.532 -17.088 48 2HD PRO 28 3HD PRO 28 -2.674 -1.748 -17.704 49 H SER 29 H SER 29 -5.372 2.881 -16.179 50 HA SER 29 HA SER 29 -7.991 1.852 -15.575 51 1HB SER 29 2HB SER 29 -7.142 3.542 -13.344 52 2HB SER 29 3HB SER 29 -8.021 2.014 -13.327 53 HG SER 29 HG SER 29 -6.217 0.988 -12.972 54 H GLN 30 H GLN 30 -8.838 3.163 -17.129 55 HA GLN 30 HA GLN 30 -8.287 6.033 -17.006 56 1HB GLN 30 2HB GLN 30 -9.974 4.619 -19.063 57 2HB GLN 30 3HB GLN 30 -9.201 6.193 -19.191 58 1HG GLN 30 2HG GLN 30 -7.002 5.085 -19.155 59 2HG GLN 30 3HG GLN 30 -7.817 3.522 -19.117 60 1HE2 GLN 30 1HE2 GLN 30 -6.204 3.652 -21.094 61 2HE2 GLN 30 2HE2 GLN 30 -6.974 4.009 -22.598 62 H VAL 31 H VAL 31 -9.997 4.504 -15.074 63 HA VAL 31 HA VAL 31 -12.346 6.252 -15.275 64 HB VAL 31 HB VAL 31 -13.858 4.502 -14.598 65 1HG1 VAL 31 1HG1 VAL 31 -12.648 2.933 -16.710 66 2HG1 VAL 31 2HG1 VAL 31 -14.155 3.851 -16.708 67 3HG1 VAL 31 3HG1 VAL 31 -12.631 4.657 -17.080 68 1HG2 VAL 31 1HG2 VAL 31 -12.962 2.105 -14.599 69 2HG2 VAL 31 2HG2 VAL 31 -11.366 2.836 -14.423 70 3HG2 VAL 31 3HG2 VAL 31 -12.602 3.109 -13.195 71 H VAL 32 H VAL 32 -13.143 7.003 -13.337 72 HA VAL 32 HA VAL 32 -11.658 6.203 -10.919 73 HB VAL 32 HB VAL 32 -11.663 8.452 -10.117 74 1HG1 VAL 32 1HG1 VAL 32 -10.384 9.627 -11.912 75 2HG1 VAL 32 2HG1 VAL 32 -9.827 7.986 -11.578 76 3HG1 VAL 32 3HG1 VAL 32 -10.812 8.310 -13.004 77 1HG2 VAL 32 1HG2 VAL 32 -13.821 8.768 -11.985 78 2HG2 VAL 32 2HG2 VAL 32 -13.341 9.812 -10.647 79 3HG2 VAL 32 3HG2 VAL 32 -12.610 10.024 -12.237 80 H LEU 33 H LEU 33 -12.797 6.266 -8.943 81 HA LEU 33 HA LEU 33 -15.728 6.288 -9.244 82 1HB LEU 33 2HB LEU 33 -14.672 4.063 -8.795 83 2HB LEU 33 3HB LEU 33 -14.133 4.700 -7.243 84 HG LEU 33 HG LEU 33 -17.042 4.657 -7.975 85 1HD1 LEU 33 1HD1 LEU 33 -16.456 2.394 -8.276 86 2HD1 LEU 33 2HD1 LEU 33 -17.111 2.507 -6.643 87 3HD1 LEU 33 3HD1 LEU 33 -15.368 2.410 -6.888 88 1HD2 LEU 33 1HD2 LEU 33 -15.474 5.461 -5.719 89 2HD2 LEU 33 2HD2 LEU 33 -16.548 4.142 -5.255 90 3HD2 LEU 33 3HD2 LEU 33 -17.212 5.608 -5.978 91 H ILE 34 H ILE 34 -16.946 7.382 -7.764 92 HA ILE 34 HA ILE 34 -15.494 8.798 -5.627 93 HB ILE 34 HB ILE 34 -16.961 10.736 -5.955 94 1HG1 ILE 34 2HG1 ILE 34 -18.658 9.073 -7.228 95 2HG1 ILE 34 3HG1 ILE 34 -18.688 10.821 -7.436 96 1HG2 ILE 34 1HG2 ILE 34 -14.827 10.821 -7.019 97 2HG2 ILE 34 2HG2 ILE 34 -15.399 9.843 -8.369 98 3HG2 ILE 34 3HG2 ILE 34 -16.013 11.481 -8.145 99 1HD1 ILE 34 1HD1 ILE 34 -18.791 9.445 -9.537 100 2HD1 ILE 34 2HD1 ILE 34 -17.540 10.688 -9.490 101 3HD1 ILE 34 3HD1 ILE 34 -17.114 8.997 -9.225 102 H THR 35 H THR 35 -16.636 9.202 -3.712 103 HA THR 35 HA THR 35 -19.300 8.021 -3.448 104 HB THR 35 HB THR 35 -18.755 6.676 -1.563 105 HG1 THR 35 HG1 THR 35 -17.137 7.248 -0.338 106 1HG2 THR 35 1HG2 THR 35 -17.495 4.987 -2.549 107 2HG2 THR 35 2HG2 THR 35 -16.418 6.126 -3.358 108 3HG2 THR 35 3HG2 THR 35 -18.067 5.904 -3.942 109 H ASN 36 H ASN 36 -19.781 8.264 -0.838 110 HA ASN 36 HA ASN 36 -20.304 9.716 0.834 111 1HB ASN 36 2HB ASN 36 -17.628 10.111 0.423 112 2HB ASN 36 3HB ASN 36 -18.264 11.737 0.193 113 1HD2 ASN 36 1HD2 ASN 36 -16.572 11.202 2.254 114 2HD2 ASN 36 2HD2 ASN 36 -17.424 11.285 3.754 115 H ILE 37 H ILE 37 -21.378 10.009 -1.873 116 HA ILE 37 HA ILE 37 -21.874 12.900 -2.001 117 HB ILE 37 HB ILE 37 -22.914 12.379 -4.225 118 1HG1 ILE 37 2HG1 ILE 37 -21.586 9.687 -3.874 119 2HG1 ILE 37 3HG1 ILE 37 -23.315 9.952 -3.677 120 1HG2 ILE 37 1HG2 ILE 37 -20.658 13.250 -4.069 121 2HG2 ILE 37 2HG2 ILE 37 -20.022 11.622 -3.839 122 3HG2 ILE 37 3HG2 ILE 37 -20.762 12.070 -5.376 123 1HD1 ILE 37 1HD1 ILE 37 -23.411 9.382 -5.833 124 2HD1 ILE 37 2HD1 ILE 37 -22.887 11.041 -6.122 125 3HD1 ILE 37 3HD1 ILE 37 -21.704 9.733 -6.107 126 H ASN 38 H ASN 38 -23.858 13.757 -1.675 127 HA ASN 38 HA ASN 38 -25.848 12.094 -0.426 128 1HB ASN 38 2HB ASN 38 -25.174 14.858 -0.425 129 2HB ASN 38 3HB ASN 38 -26.848 14.719 -0.955 130 1HD2 ASN 38 1HD2 ASN 38 -24.617 14.277 1.646 131 2HD2 ASN 38 2HD2 ASN 38 -25.789 13.966 2.877 132 HA PRO 39 HA PRO 39 -28.010 11.218 -4.207 133 1HB PRO 39 2HB PRO 39 -30.126 9.965 -3.056 134 2HB PRO 39 3HB PRO 39 -28.544 9.201 -3.246 135 1HG PRO 39 2HG PRO 39 -29.735 10.515 -0.835 136 2HG PRO 39 3HG PRO 39 -28.816 9.003 -0.945 137 1HD PRO 39 2HD PRO 39 -27.701 11.329 -0.122 138 2HD PRO 39 3HD PRO 39 -26.787 10.094 -1.012 139 H GLU 40 H GLU 40 -28.912 13.351 -1.753 140 HA GLU 40 HA GLU 40 -31.552 13.979 -2.244 141 1HB GLU 40 2HB GLU 40 -29.206 15.452 -1.205 142 2HB GLU 40 3HB GLU 40 -30.545 16.442 -1.766 143 1HG GLU 40 2HG GLU 40 -31.986 14.868 -0.289 144 2HG GLU 40 3HG GLU 40 -30.450 14.493 0.490 145 H VAL 41 H VAL 41 -28.742 14.659 -4.177 146 HA VAL 41 HA VAL 41 -30.244 16.442 -5.937 147 HB VAL 41 HB VAL 41 -27.980 17.133 -5.384 148 1HG1 VAL 41 1HG1 VAL 41 -26.988 14.966 -4.946 149 2HG1 VAL 41 2HG1 VAL 41 -27.127 14.532 -6.651 150 3HG1 VAL 41 3HG1 VAL 41 -26.040 15.830 -6.156 151 1HG2 VAL 41 1HG2 VAL 41 -27.074 17.350 -7.703 152 2HG2 VAL 41 2HG2 VAL 41 -28.349 16.258 -8.246 153 3HG2 VAL 41 3HG2 VAL 41 -28.767 17.818 -7.538 154 HA PRO 42 HA PRO 42 -31.257 13.146 -8.705 155 1HB PRO 42 2HB PRO 42 -32.007 14.677 -10.817 156 2HB PRO 42 3HB PRO 42 -33.011 14.468 -9.378 157 1HG PRO 42 2HG PRO 42 -31.194 16.733 -10.107 158 2HG PRO 42 3HG PRO 42 -32.823 16.786 -9.408 159 1HD PRO 42 2HD PRO 42 -30.586 17.111 -7.917 160 2HD PRO 42 3HD PRO 42 -32.059 16.353 -7.277 161 H LYS 43 H LYS 43 -30.214 11.985 -10.239 162 HA LYS 43 HA LYS 43 -27.585 12.390 -10.890 163 1HB LYS 43 2HB LYS 43 -28.483 10.243 -11.280 164 2HB LYS 43 3HB LYS 43 -29.757 10.872 -12.316 165 1HG LYS 43 2HG LYS 43 -27.081 11.451 -13.310 166 2HG LYS 43 3HG LYS 43 -27.419 9.725 -13.161 167 1HD LYS 43 2HD LYS 43 -29.673 10.387 -14.332 168 2HD LYS 43 3HD LYS 43 -28.738 11.783 -14.873 169 1HE LYS 43 2HE LYS 43 -26.979 9.978 -15.551 170 2HE LYS 43 3HE LYS 43 -28.361 8.884 -15.494 171 1HZ LYS 43 1HZ LYS 43 -28.408 9.574 -17.662 172 2HZ LYS 43 2HZ LYS 43 -27.846 11.131 -17.314 173 3HZ LYS 43 3HZ LYS 43 -29.447 10.713 -16.964 174 H GLU 44 H GLU 44 -30.426 13.642 -12.517 175 HA GLU 44 HA GLU 44 -29.398 14.450 -14.939 176 1HB GLU 44 2HB GLU 44 -31.785 14.681 -14.033 177 2HB GLU 44 3HB GLU 44 -31.244 16.196 -13.323 178 1HG GLU 44 2HG GLU 44 -30.846 17.163 -15.428 179 2HG GLU 44 3HG GLU 44 -30.950 15.606 -16.249 180 H LYS 45 H LYS 45 -29.486 16.398 -11.952 181 HA LYS 45 HA LYS 45 -27.687 18.352 -13.099 182 1HB LYS 45 2HB LYS 45 -29.000 18.102 -10.393 183 2HB LYS 45 3HB LYS 45 -27.877 19.394 -10.794 184 1HG LYS 45 2HG LYS 45 -29.381 20.490 -12.064 185 2HG LYS 45 3HG LYS 45 -30.110 19.004 -12.677 186 1HD LYS 45 2HD LYS 45 -31.688 20.226 -11.281 187 2HD LYS 45 3HD LYS 45 -31.253 18.689 -10.530 188 1HE LYS 45 2HE LYS 45 -30.439 19.714 -8.728 189 2HE LYS 45 3HE LYS 45 -29.456 20.797 -9.713 190 1HZ LYS 45 1HZ LYS 45 -30.881 22.222 -8.613 191 2HZ LYS 45 2HZ LYS 45 -32.208 21.182 -8.731 192 3HZ LYS 45 3HZ LYS 45 -31.666 22.019 -10.097 193 H LEU 46 H LEU 46 -27.598 15.893 -10.553 194 HA LEU 46 HA LEU 46 -25.106 16.396 -9.473 195 1HB LEU 46 2HB LEU 46 -25.973 14.727 -8.270 196 2HB LEU 46 3HB LEU 46 -26.933 14.135 -9.624 197 HG LEU 46 HG LEU 46 -24.913 12.953 -10.466 198 1HD1 LEU 46 1HD1 LEU 46 -23.260 12.660 -8.353 199 2HD1 LEU 46 2HD1 LEU 46 -23.719 14.353 -8.172 200 3HD1 LEU 46 3HD1 LEU 46 -22.985 13.795 -9.675 201 1HD2 LEU 46 1HD2 LEU 46 -26.282 11.481 -9.381 202 2HD2 LEU 46 2HD2 LEU 46 -26.212 12.365 -7.856 203 3HD2 LEU 46 3HD2 LEU 46 -24.848 11.365 -8.360 204 H GLN 47 H GLN 47 -25.892 14.306 -12.244 205 HA GLN 47 HA GLN 47 -23.248 13.541 -12.817 206 1HB GLN 47 2HB GLN 47 -25.238 12.379 -13.701 207 2HB GLN 47 3HB GLN 47 -25.588 13.772 -14.716 208 1HG GLN 47 2HG GLN 47 -22.998 13.191 -15.382 209 2HG GLN 47 3HG GLN 47 -23.694 11.595 -15.105 210 1HE2 GLN 47 1HE2 GLN 47 -23.301 14.087 -17.295 211 2HE2 GLN 47 2HE2 GLN 47 -24.466 13.592 -18.470 212 H ALA 48 H ALA 48 -25.272 16.114 -14.208 213 HA ALA 48 HA ALA 48 -23.460 17.105 -16.066 214 1HB ALA 48 1HB ALA 48 -25.897 17.734 -15.758 215 2HB ALA 48 2HB ALA 48 -25.347 18.850 -14.508 216 3HB ALA 48 3HB ALA 48 -24.792 19.045 -16.171 217 H LEU 49 H LEU 49 -23.653 17.619 -12.606 218 HA LEU 49 HA LEU 49 -21.825 19.805 -12.518 219 1HB LEU 49 2HB LEU 49 -23.447 18.354 -10.690 220 2HB LEU 49 3HB LEU 49 -21.798 18.369 -10.067 221 HG LEU 49 HG LEU 49 -22.952 20.206 -9.096 222 1HD1 LEU 49 1HD1 LEU 49 -20.626 20.481 -10.485 223 2HD1 LEU 49 2HD1 LEU 49 -21.311 21.696 -9.405 224 3HD1 LEU 49 3HD1 LEU 49 -21.596 21.799 -11.143 225 1HD2 LEU 49 1HD2 LEU 49 -24.302 20.284 -11.601 226 2HD2 LEU 49 2HD2 LEU 49 -23.588 21.868 -11.298 227 3HD2 LEU 49 3HD2 LEU 49 -24.681 21.152 -10.113 228 H LEU 50 H LEU 50 -21.504 16.339 -11.768 229 HA LEU 50 HA LEU 50 -18.815 16.315 -11.087 230 1HB LEU 50 2HB LEU 50 -20.460 14.210 -12.480 231 2HB LEU 50 3HB LEU 50 -18.850 13.932 -11.818 232 HG LEU 50 HG LEU 50 -21.293 14.703 -10.221 233 1HD1 LEU 50 1HD1 LEU 50 -21.342 12.455 -9.444 234 2HD1 LEU 50 2HD1 LEU 50 -19.842 12.066 -10.284 235 3HD1 LEU 50 3HD1 LEU 50 -21.308 12.401 -11.206 236 1HD2 LEU 50 1HD2 LEU 50 -19.856 14.151 -8.286 237 2HD2 LEU 50 2HD2 LEU 50 -19.283 15.551 -9.193 238 3HD2 LEU 50 3HD2 LEU 50 -18.485 13.989 -9.384 239 H TYR 51 H TYR 51 -20.322 16.564 -14.206 240 HA TYR 51 HA TYR 51 -18.023 15.855 -15.743 241 1HB TYR 51 2HB TYR 51 -20.452 15.814 -16.516 242 2HB TYR 51 3HB TYR 51 -20.325 17.562 -16.684 243 HD1 TYR 51 HD1 TYR 51 -20.072 14.539 -18.397 244 HD2 TYR 51 HD2 TYR 51 -18.170 18.332 -18.079 245 HE1 TYR 51 HE1 TYR 51 -19.125 14.247 -20.648 246 HE2 TYR 51 HE2 TYR 51 -17.219 18.050 -20.329 247 HH TYR 51 HH TYR 51 -18.293 15.847 -22.518 248 H ALA 52 H ALA 52 -19.506 18.934 -14.789 249 HA ALA 52 HA ALA 52 -17.880 20.702 -16.142 250 1HB ALA 52 1HB ALA 52 -19.188 22.132 -15.068 251 2HB ALA 52 2HB ALA 52 -19.748 20.838 -14.008 252 3HB ALA 52 3HB ALA 52 -18.332 21.790 -13.564 253 H LEU 53 H LEU 53 -17.365 19.459 -12.837 254 HA LEU 53 HA LEU 53 -14.869 20.676 -12.441 255 1HB LEU 53 2HB LEU 53 -15.764 18.071 -11.231 256 2HB LEU 53 3HB LEU 53 -14.609 19.225 -10.566 257 HG LEU 53 HG LEU 53 -17.563 19.743 -10.900 258 1HD1 LEU 53 1HD1 LEU 53 -17.753 18.392 -9.127 259 2HD1 LEU 53 2HD1 LEU 53 -17.049 19.732 -8.224 260 3HD1 LEU 53 3HD1 LEU 53 -16.021 18.418 -8.796 261 1HD2 LEU 53 1HD2 LEU 53 -16.779 21.858 -10.801 262 2HD2 LEU 53 2HD2 LEU 53 -15.249 21.375 -10.069 263 3HD2 LEU 53 3HD2 LEU 53 -16.699 21.512 -9.073 264 H ALA 54 H ALA 54 -15.741 17.497 -13.723 265 HA ALA 54 HA ALA 54 -13.172 16.411 -13.910 266 1HB ALA 54 1HB ALA 54 -14.126 14.896 -15.591 267 2HB ALA 54 2HB ALA 54 -15.169 15.059 -14.178 268 3HB ALA 54 3HB ALA 54 -15.568 15.909 -15.671 269 H SER 55 H SER 55 -15.062 18.186 -16.351 270 HA SER 55 HA SER 55 -13.150 18.127 -18.389 271 1HB SER 55 2HB SER 55 -15.390 18.780 -18.925 272 2HB SER 55 3HB SER 55 -15.341 20.117 -17.777 273 HG SER 55 HG SER 55 -14.884 20.375 -20.242 274 H SER 56 H SER 56 -13.435 20.147 -15.566 275 HA SER 56 HA SER 56 -11.761 22.262 -16.340 276 1HB SER 56 2HB SER 56 -13.274 22.077 -14.267 277 2HB SER 56 3HB SER 56 -11.927 21.222 -13.516 278 HG SER 56 HG SER 56 -11.528 23.283 -13.008 279 H GLN 57 H GLN 57 -11.057 19.005 -15.623 280 HA GLN 57 HA GLN 57 -8.190 19.640 -15.383 281 1HB GLN 57 2HB GLN 57 -9.691 17.234 -14.337 282 2HB GLN 57 3HB GLN 57 -7.948 17.450 -14.248 283 1HG GLN 57 2HG GLN 57 -9.794 19.480 -13.064 284 2HG GLN 57 3HG GLN 57 -9.395 18.001 -12.190 285 1HE2 GLN 57 1HE2 GLN 57 -8.711 21.030 -12.057 286 2HE2 GLN 57 2HE2 GLN 57 -7.015 21.020 -11.729 287 HN2 GLY 58 H GLY 58 -9.978 16.667 -16.177 288 1HA GLY 58 2HA GLY 58 -8.433 16.551 -18.695 289 2HA GLY 58 3HA GLY 58 -8.785 15.131 -17.722 290 H ASP 59 H ASP 59 -9.437 15.078 -20.346 291 HA ASP 59 HA ASP 59 -12.117 15.945 -20.839 292 1HB ASP 59 2HB ASP 59 -10.325 14.005 -22.312 293 2HB ASP 59 3HB ASP 59 -11.914 14.506 -22.884 294 H ILE 60 H ILE 60 -14.007 14.776 -20.835 295 HA ILE 60 HA ILE 60 -13.902 12.226 -19.373 296 HB ILE 60 HB ILE 60 -16.250 14.097 -19.707 297 1HG1 ILE 60 2HG1 ILE 60 -15.680 14.138 -17.064 298 2HG1 ILE 60 3HG1 ILE 60 -14.059 13.935 -17.720 299 1HG2 ILE 60 1HG2 ILE 60 -16.042 11.376 -18.829 300 2HG2 ILE 60 2HG2 ILE 60 -16.579 12.398 -17.497 301 3HG2 ILE 60 3HG2 ILE 60 -17.478 12.382 -19.014 302 1HD1 ILE 60 1HD1 ILE 60 -14.012 16.135 -17.962 303 2HD1 ILE 60 2HD1 ILE 60 -15.179 15.937 -19.270 304 3HD1 ILE 60 3HD1 ILE 60 -15.739 16.277 -17.633 305 H LEU 61 H LEU 61 -14.788 10.402 -20.201 306 HA LEU 61 HA LEU 61 -15.725 10.545 -22.977 307 1HB LEU 61 2HB LEU 61 -15.016 8.029 -21.511 308 2HB LEU 61 3HB LEU 61 -15.043 8.323 -23.248 309 HG LEU 61 HG LEU 61 -12.986 9.258 -21.256 310 1HD1 LEU 61 1HD1 LEU 61 -13.166 6.898 -22.594 311 2HD1 LEU 61 2HD1 LEU 61 -11.661 7.635 -22.045 312 3HD1 LEU 61 3HD1 LEU 61 -12.199 7.865 -23.708 313 1HD2 LEU 61 1HD2 LEU 61 -13.613 10.201 -24.008 314 2HD2 LEU 61 2HD2 LEU 61 -11.922 10.067 -23.525 315 3HD2 LEU 61 3HD2 LEU 61 -13.021 11.101 -22.611 316 H ASP 62 H ASP 62 -16.561 9.205 -19.814 317 HA ASP 62 HA ASP 62 -19.360 9.378 -20.399 318 1HB ASP 62 2HB ASP 62 -19.510 6.788 -19.728 319 2HB ASP 62 3HB ASP 62 -19.415 7.330 -21.402 320 H ILE 63 H ILE 63 -20.255 10.034 -18.569 321 HA ILE 63 HA ILE 63 -18.931 9.398 -16.032 322 HB ILE 63 HB ILE 63 -21.043 11.473 -16.632 323 1HG1 ILE 63 2HG1 ILE 63 -18.064 11.718 -16.166 324 2HG1 ILE 63 3HG1 ILE 63 -18.916 12.032 -17.674 325 1HG2 ILE 63 1HG2 ILE 63 -21.160 10.650 -14.334 326 2HG2 ILE 63 2HG2 ILE 63 -19.444 10.995 -14.121 327 3HG2 ILE 63 3HG2 ILE 63 -20.581 12.315 -14.389 328 1HD1 ILE 63 1HD1 ILE 63 -18.999 13.621 -15.132 329 2HD1 ILE 63 2HD1 ILE 63 -18.451 14.131 -16.729 330 3HD1 ILE 63 3HD1 ILE 63 -20.165 13.841 -16.436 331 H VAL 64 H VAL 64 -19.697 7.651 -15.044 332 HA VAL 64 HA VAL 64 -22.521 6.939 -15.330 333 HB VAL 64 HB VAL 64 -20.267 5.369 -14.070 334 1HG1 VAL 64 1HG1 VAL 64 -23.121 4.643 -14.708 335 2HG1 VAL 64 2HG1 VAL 64 -21.872 3.467 -14.295 336 3HG1 VAL 64 3HG1 VAL 64 -22.355 4.691 -13.121 337 1HG2 VAL 64 1HG2 VAL 64 -19.847 5.593 -16.415 338 2HG2 VAL 64 2HG2 VAL 64 -20.469 3.967 -16.128 339 3HG2 VAL 64 3HG2 VAL 64 -21.524 5.208 -16.805 340 H VAL 65 H VAL 65 -23.894 6.640 -13.577 341 HA VAL 65 HA VAL 65 -22.920 7.405 -10.925 342 HB VAL 65 HB VAL 65 -25.398 8.646 -12.120 343 1HG1 VAL 65 1HG1 VAL 65 -24.513 8.344 -9.463 344 2HG1 VAL 65 2HG1 VAL 65 -24.280 10.041 -9.888 345 3HG1 VAL 65 3HG1 VAL 65 -25.872 9.300 -10.052 346 1HG2 VAL 65 1HG2 VAL 65 -23.642 9.647 -13.310 347 2HG2 VAL 65 2HG2 VAL 65 -23.983 10.768 -11.992 348 3HG2 VAL 65 3HG2 VAL 65 -22.591 9.690 -11.894 349 H ASP 66 H ASP 66 -23.864 6.310 -9.289 350 HA ASP 66 HA ASP 66 -25.377 4.004 -9.830 351 1HB ASP 66 2HB ASP 66 -23.937 4.894 -7.696 352 2HB ASP 66 3HB ASP 66 -25.582 5.089 -7.096 353 H LEU 67 H LEU 67 -27.346 3.955 -7.849 354 HA LEU 67 HA LEU 67 -29.418 5.527 -9.171 355 1HB LEU 67 2HB LEU 67 -30.937 4.100 -7.721 356 2HB LEU 67 3HB LEU 67 -30.028 3.279 -8.989 357 HG LEU 67 HG LEU 67 -30.235 2.170 -6.666 358 1HD1 LEU 67 1HD1 LEU 67 -28.142 2.239 -8.631 359 2HD1 LEU 67 2HD1 LEU 67 -28.749 0.879 -7.688 360 3HD1 LEU 67 3HD1 LEU 67 -27.475 1.907 -7.033 361 1HD2 LEU 67 1HD2 LEU 67 -29.583 4.216 -5.420 362 2HD2 LEU 67 2HD2 LEU 67 -27.963 4.071 -6.103 363 3HD2 LEU 67 3HD2 LEU 67 -28.588 2.810 -5.039 364 H SER 68 H SER 68 -27.393 6.512 -7.103 365 HA SER 68 HA SER 68 -27.322 7.905 -5.299 366 1HB SER 68 2HB SER 68 -30.141 8.742 -5.887 367 2HB SER 68 3HB SER 68 -28.760 9.731 -5.410 368 HG SER 68 HG SER 68 -28.083 9.800 -7.438 369 H ASP 69 H ASP 69 -27.558 5.670 -4.177 370 HA ASP 69 HA ASP 69 -30.022 5.190 -2.790 371 1HB ASP 69 2HB ASP 69 -27.574 3.787 -3.237 372 2HB ASP 69 3HB ASP 69 -27.866 3.852 -1.501 373 H ASP 70 H ASP 70 -30.478 5.497 -0.616 374 HA ASP 70 HA ASP 70 -29.264 7.796 0.579 375 1HB ASP 70 2HB ASP 70 -31.553 6.007 1.199 376 2HB ASP 70 3HB ASP 70 -30.841 6.884 2.550 377 H ASN 71 H ASN 71 -28.384 4.595 0.500 378 HA ASN 71 HA ASN 71 -26.929 4.832 3.053 379 1HB ASN 71 2HB ASN 71 -28.769 2.969 2.673 380 2HB ASN 71 3HB ASN 71 -27.455 2.158 1.825 381 1HD2 ASN 71 1HD2 ASN 71 -28.914 2.648 4.770 382 2HD2 ASN 71 2HD2 ASN 71 -27.653 2.064 5.797 383 H SER 72 H SER 72 -26.662 4.726 -0.276 384 HA SER 72 HA SER 72 -23.852 3.850 -0.106 385 1HB SER 72 2HB SER 72 -25.711 3.647 -2.488 386 2HB SER 72 3HB SER 72 -24.025 3.134 -2.450 387 HG SER 72 HG SER 72 -26.276 1.923 -1.387 388 HN2 GLY 73 H GLY 73 -25.785 5.596 -2.538 389 1HA GLY 73 2HA GLY 73 -25.365 7.551 -3.669 390 2HA GLY 73 3HA GLY 73 -24.803 8.152 -2.116 391 H LYS 74 H LYS 74 -23.863 6.732 -5.162 392 HA LYS 74 HA LYS 74 -21.233 7.899 -4.909 393 1HB LYS 74 2HB LYS 74 -20.021 5.811 -5.354 394 2HB LYS 74 3HB LYS 74 -20.883 5.741 -3.822 395 1HG LYS 74 2HG LYS 74 -22.627 4.399 -4.823 396 2HG LYS 74 3HG LYS 74 -21.852 4.531 -6.403 397 1HD LYS 74 2HD LYS 74 -20.792 2.633 -5.894 398 2HD LYS 74 3HD LYS 74 -19.835 3.592 -4.762 399 1HE LYS 74 2HE LYS 74 -21.131 2.953 -2.937 400 2HE LYS 74 3HE LYS 74 -22.487 2.462 -3.950 401 1HZ LYS 74 1HZ LYS 74 -21.360 0.538 -3.074 402 2HZ LYS 74 2HZ LYS 74 -19.882 1.057 -3.711 403 3HZ LYS 74 3HZ LYS 74 -21.137 0.601 -4.750 404 H ALA 75 H ALA 75 -19.904 7.136 -6.982 405 HA ALA 75 HA ALA 75 -21.404 6.514 -9.315 406 1HB ALA 75 1HB ALA 75 -20.854 8.846 -10.361 407 2HB ALA 75 2HB ALA 75 -22.316 8.623 -9.400 408 3HB ALA 75 3HB ALA 75 -20.897 9.385 -8.681 409 H TYR 76 H TYR 76 -20.021 7.071 -11.347 410 HA TYR 76 HA TYR 76 -17.159 6.907 -10.721 411 1HB TYR 76 2HB TYR 76 -18.148 5.178 -12.924 412 2HB TYR 76 3HB TYR 76 -16.811 4.925 -11.807 413 HD1 TYR 76 HD1 TYR 76 -17.113 3.707 -9.782 414 HD2 TYR 76 HD2 TYR 76 -20.475 4.686 -12.198 415 HE1 TYR 76 HE1 TYR 76 -18.503 2.169 -8.460 416 HE2 TYR 76 HE2 TYR 76 -21.875 3.151 -10.882 417 HH TYR 76 HH TYR 76 -20.739 0.808 -8.973 418 H ILE 77 H ILE 77 -15.992 8.259 -11.914 419 HA ILE 77 HA ILE 77 -17.222 9.397 -14.332 420 HB ILE 77 HB ILE 77 -14.938 10.566 -12.747 421 1HG1 ILE 77 2HG1 ILE 77 -17.889 11.220 -12.603 422 2HG1 ILE 77 3HG1 ILE 77 -16.946 10.434 -11.342 423 1HG2 ILE 77 1HG2 ILE 77 -16.682 12.290 -14.354 424 2HG2 ILE 77 2HG2 ILE 77 -14.925 12.270 -14.207 425 3HG2 ILE 77 3HG2 ILE 77 -15.732 11.130 -15.283 426 1HD1 ILE 77 1HD1 ILE 77 -15.503 12.551 -11.386 427 2HD1 ILE 77 2HD1 ILE 77 -16.851 13.274 -12.266 428 3HD1 ILE 77 3HD1 ILE 77 -17.099 12.637 -10.640 429 H VAL 78 H VAL 78 -16.525 8.375 -16.097 430 HA VAL 78 HA VAL 78 -13.867 7.233 -16.228 431 HB VAL 78 HB VAL 78 -15.889 7.381 -18.461 432 1HG1 VAL 78 1HG1 VAL 78 -13.247 6.342 -18.240 433 2HG1 VAL 78 2HG1 VAL 78 -14.367 4.996 -18.458 434 3HG1 VAL 78 3HG1 VAL 78 -14.332 6.315 -19.629 435 1HG2 VAL 78 1HG2 VAL 78 -17.034 6.367 -16.632 436 2HG2 VAL 78 2HG2 VAL 78 -16.538 5.074 -17.724 437 3HG2 VAL 78 3HG2 VAL 78 -15.638 5.365 -16.236 438 H PHE 79 H PHE 79 -12.132 8.218 -17.018 439 HA PHE 79 HA PHE 79 -12.503 10.716 -18.519 440 1HB PHE 79 2HB PHE 79 -10.301 9.686 -16.756 441 2HB PHE 79 3HB PHE 79 -9.980 10.958 -17.930 442 HD1 PHE 79 HD1 PHE 79 -10.986 13.159 -17.687 443 HD2 PHE 79 HD2 PHE 79 -11.631 10.098 -14.801 444 HE1 PHE 79 HE1 PHE 79 -11.821 14.840 -16.095 445 HE2 PHE 79 HE2 PHE 79 -12.468 11.773 -13.205 446 HZ PHE 79 HZ PHE 79 -12.565 14.148 -13.852 447 H ALA 80 H ALA 80 -10.303 11.089 -19.887 448 HA ALA 80 HA ALA 80 -10.502 9.265 -22.057 449 1HB ALA 80 1HB ALA 80 -8.150 11.034 -21.972 450 2HB ALA 80 2HB ALA 80 -9.362 10.811 -23.234 451 3HB ALA 80 3HB ALA 80 -9.715 11.838 -21.845 452 H THR 81 H THR 81 -8.196 9.708 -19.438 453 HA THR 81 HA THR 81 -7.213 7.043 -19.722 454 HB THR 81 HB THR 81 -4.794 8.514 -19.866 455 HG1 THR 81 HG1 THR 81 -5.146 9.972 -21.352 456 1HG2 THR 81 1HG2 THR 81 -5.063 6.203 -20.565 457 2HG2 THR 81 2HG2 THR 81 -4.461 7.169 -21.913 458 3HG2 THR 81 3HG2 THR 81 -6.159 6.696 -21.855 459 H GLN 82 H GLN 82 -5.494 6.559 -18.109 460 HA GLN 82 HA GLN 82 -6.188 7.407 -15.569 461 1HB GLN 82 2HB GLN 82 -4.630 5.441 -16.482 462 2HB GLN 82 3HB GLN 82 -3.368 6.575 -16.019 463 1HG GLN 82 2HG GLN 82 -5.400 6.266 -13.968 464 2HG GLN 82 3HG GLN 82 -4.603 4.748 -14.378 465 1HE2 GLN 82 1HE2 GLN 82 -3.699 4.761 -12.268 466 2HE2 GLN 82 2HE2 GLN 82 -2.324 5.741 -11.905 467 H GLU 83 H GLU 83 -3.996 8.838 -17.857 468 HA GLU 83 HA GLU 83 -2.467 10.438 -16.148 469 1HB GLU 83 2HB GLU 83 -3.295 10.701 -19.022 470 2HB GLU 83 3HB GLU 83 -2.373 11.976 -18.238 471 1HG GLU 83 2HG GLU 83 -0.701 10.169 -17.613 472 2HG GLU 83 3HG GLU 83 -1.556 9.138 -18.759 473 H SER 84 H SER 84 -5.477 11.218 -17.883 474 HA SER 84 HA SER 84 -5.727 13.794 -16.676 475 1HB SER 84 2HB SER 84 -7.241 12.161 -18.592 476 2HB SER 84 3HB SER 84 -8.251 13.182 -17.569 477 HG SER 84 HG SER 84 -6.510 14.838 -18.214 478 H ALA 85 H ALA 85 -7.305 10.658 -16.155 479 HA ALA 85 HA ALA 85 -9.142 11.373 -14.216 480 1HB ALA 85 1HB ALA 85 -9.568 9.206 -14.403 481 2HB ALA 85 2HB ALA 85 -8.031 8.951 -15.230 482 3HB ALA 85 3HB ALA 85 -8.113 8.851 -13.471 483 H GLN 86 H GLN 86 -5.846 10.123 -13.651 484 HA GLN 86 HA GLN 86 -5.811 10.373 -10.891 485 1HB GLN 86 2HB GLN 86 -4.057 9.180 -12.003 486 2HB GLN 86 3HB GLN 86 -3.575 10.612 -12.903 487 1HG GLN 86 2HG GLN 86 -2.410 11.482 -11.173 488 2HG GLN 86 3HG GLN 86 -3.495 10.808 -9.958 489 1HE2 GLN 86 1HE2 GLN 86 -0.449 10.752 -10.785 490 2HE2 GLN 86 2HE2 GLN 86 -0.023 9.111 -10.451 491 H ALA 87 H ALA 87 -5.005 12.769 -13.367 492 HA ALA 87 HA ALA 87 -4.017 14.785 -11.718 493 1HB ALA 87 1HB ALA 87 -5.491 14.919 -14.338 494 2HB ALA 87 2HB ALA 87 -4.796 16.335 -13.549 495 3HB ALA 87 3HB ALA 87 -3.751 15.010 -14.060 496 H PHE 88 H PHE 88 -7.357 14.244 -12.831 497 HA PHE 88 HA PHE 88 -8.470 16.416 -11.407 498 1HB PHE 88 2HB PHE 88 -9.723 15.533 -13.229 499 2HB PHE 88 3HB PHE 88 -9.678 13.904 -12.561 500 HD1 PHE 88 HD1 PHE 88 -11.157 13.253 -10.765 501 HD2 PHE 88 HD2 PHE 88 -11.258 17.192 -12.375 502 HE1 PHE 88 HE1 PHE 88 -13.320 13.644 -9.661 503 HE2 PHE 88 HE2 PHE 88 -13.421 17.590 -11.273 504 HZ PHE 88 HZ PHE 88 -14.455 15.816 -9.913 505 H VAL 89 H VAL 89 -7.820 13.081 -10.565 506 HA VAL 89 HA VAL 89 -9.387 12.941 -8.224 507 HB VAL 89 HB VAL 89 -6.862 11.442 -8.935 508 1HG1 VAL 89 1HG1 VAL 89 -8.225 9.811 -7.259 509 2HG1 VAL 89 2HG1 VAL 89 -6.917 10.883 -6.755 510 3HG1 VAL 89 3HG1 VAL 89 -8.596 11.388 -6.561 511 1HG2 VAL 89 1HG2 VAL 89 -8.109 10.156 -10.254 512 2HG2 VAL 89 2HG2 VAL 89 -9.319 9.932 -8.991 513 3HG2 VAL 89 3HG2 VAL 89 -9.412 11.329 -10.063 514 H GLU 90 H GLU 90 -5.987 13.815 -8.747 515 HA GLU 90 HA GLU 90 -5.570 14.368 -5.945 516 1HB GLU 90 2HB GLU 90 -3.767 15.029 -8.278 517 2HB GLU 90 3HB GLU 90 -3.316 14.966 -6.580 518 1HG GLU 90 2HG GLU 90 -4.242 12.614 -8.213 519 2HG GLU 90 3HG GLU 90 -2.563 13.001 -7.842 520 H ALA 91 H ALA 91 -6.577 16.098 -8.745 521 HA ALA 91 HA ALA 91 -5.873 18.713 -7.802 522 1HB ALA 91 1HB ALA 91 -6.070 18.320 -10.174 523 2HB ALA 91 2HB ALA 91 -7.757 17.840 -9.988 524 3HB ALA 91 3HB ALA 91 -7.275 19.507 -9.674 525 H PHE 92 H PHE 92 -8.500 16.540 -7.302 526 HA PHE 92 HA PHE 92 -9.929 18.642 -5.815 527 1HB PHE 92 2HB PHE 92 -11.065 16.459 -7.560 528 2HB PHE 92 3HB PHE 92 -12.034 17.311 -6.363 529 HD1 PHE 92 HD1 PHE 92 -13.276 19.087 -7.099 530 HD2 PHE 92 HD2 PHE 92 -9.674 18.106 -9.144 531 HE1 PHE 92 HE1 PHE 92 -13.719 20.875 -8.730 532 HE2 PHE 92 HE2 PHE 92 -10.111 19.893 -10.777 533 HZ PHE 92 HZ PHE 92 -12.135 21.281 -10.571 534 H GLN 93 H GLN 93 -8.047 16.120 -5.378 535 HA GLN 93 HA GLN 93 -9.290 14.206 -3.864 536 1HB GLN 93 2HB GLN 93 -6.996 13.905 -4.309 537 2HB GLN 93 3HB GLN 93 -6.569 15.462 -3.611 538 1HG GLN 93 2HG GLN 93 -7.089 14.634 -1.390 539 2HG GLN 93 3HG GLN 93 -7.581 13.084 -2.069 540 1HE2 GLN 93 1HE2 GLN 93 -5.188 14.529 -0.463 541 2HE2 GLN 93 2HE2 GLN 93 -3.835 13.598 -0.999 542 HN2 GLY 94 H GLY 94 -8.498 17.497 -2.957 543 1HA GLY 94 2HA GLY 94 -10.016 17.089 -0.466 544 2HA GLY 94 3HA GLY 94 -8.464 17.911 -0.424 545 H TYR 95 H TYR 95 -11.448 18.086 -2.373 546 HA TYR 95 HA TYR 95 -11.428 21.000 -1.932 547 1HB TYR 95 2HB TYR 95 -10.784 20.561 -4.229 548 2HB TYR 95 3HB TYR 95 -12.174 19.503 -4.453 549 HD1 TYR 95 HD1 TYR 95 -14.459 20.469 -4.534 550 HD2 TYR 95 HD2 TYR 95 -10.991 22.930 -4.413 551 HE1 TYR 95 HE1 TYR 95 -15.798 22.383 -5.304 552 HE2 TYR 95 HE2 TYR 95 -12.321 24.851 -5.181 553 HH TYR 95 HH TYR 95 -15.819 24.579 -5.691 554 HA PRO 96 HA PRO 96 -15.468 20.370 -0.268 555 1HB PRO 96 2HB PRO 96 -16.293 22.956 -0.311 556 2HB PRO 96 3HB PRO 96 -15.129 22.338 0.868 557 1HG PRO 96 2HG PRO 96 -14.637 23.864 -1.660 558 2HG PRO 96 3HG PRO 96 -13.882 24.063 -0.068 559 1HD PRO 96 2HD PRO 96 -12.672 22.743 -2.098 560 2HD PRO 96 3HD PRO 96 -12.432 22.302 -0.395 561 H PHE 97 H PHE 97 -16.761 19.287 -1.672 562 HA PHE 97 HA PHE 97 -18.258 20.900 -3.599 563 1HB PHE 97 2HB PHE 97 -16.580 19.906 -4.992 564 2HB PHE 97 3HB PHE 97 -16.810 18.330 -4.243 565 HD1 PHE 97 HD1 PHE 97 -18.723 20.911 -6.134 566 HD2 PHE 97 HD2 PHE 97 -18.112 16.776 -5.327 567 HE1 PHE 97 HE1 PHE 97 -20.364 20.332 -7.873 568 HE2 PHE 97 HE2 PHE 97 -19.752 16.191 -7.065 569 HZ PHE 97 HZ PHE 97 -20.880 17.970 -8.341 570 H GLN 98 H GLN 98 -20.360 20.222 -3.954 571 HA GLN 98 HA GLN 98 -22.372 19.353 -3.327 572 1HB GLN 98 2HB GLN 98 -20.709 17.256 -4.191 573 2HB GLN 98 3HB GLN 98 -21.537 16.652 -2.762 574 1HG GLN 98 2HG GLN 98 -22.725 17.633 -5.332 575 2HG GLN 98 3HG GLN 98 -22.890 16.051 -4.573 576 1HE2 GLN 98 1HE2 GLN 98 -24.041 15.996 -2.497 577 2HE2 GLN 98 2HE2 GLN 98 -25.365 17.081 -2.263 578 HN2 GLY 99 H GLY 99 -20.609 20.378 -1.206 579 1HA GLY 99 2HA GLY 99 -21.887 20.378 1.035 580 2HA GLY 99 3HA GLY 99 -21.414 18.685 1.063 581 H ASN 100 H ASN 100 -19.012 18.296 0.813 582 HA ASN 100 HA ASN 100 -17.089 20.243 1.322 583 1HB ASN 100 2HB ASN 100 -18.648 19.545 3.646 584 2HB ASN 100 3HB ASN 100 -16.969 19.067 3.879 585 1HD2 ASN 100 1HD2 ASN 100 -16.812 20.660 5.507 586 2HD2 ASN 100 2HD2 ASN 100 -16.613 22.327 5.101 587 HA PRO 101 HA PRO 101 -15.217 15.929 2.408 588 1HB PRO 101 2HB PRO 101 -16.936 13.845 2.673 589 2HB PRO 101 3HB PRO 101 -16.471 14.884 4.025 590 1HG PRO 101 2HG PRO 101 -18.945 14.960 2.342 591 2HG PRO 101 3HG PRO 101 -18.781 15.133 4.099 592 1HD PRO 101 2HD PRO 101 -19.094 17.257 2.449 593 2HD PRO 101 3HD PRO 101 -18.148 17.345 3.949 594 H LEU 102 H LEU 102 -14.415 15.906 0.338 595 HA LEU 102 HA LEU 102 -16.018 14.496 -1.693 596 1HB LEU 102 2HB LEU 102 -15.002 16.982 -1.897 597 2HB LEU 102 3HB LEU 102 -13.651 16.046 -2.532 598 HG LEU 102 HG LEU 102 -16.421 16.344 -3.643 599 1HD1 LEU 102 1HD1 LEU 102 -14.854 17.965 -4.419 600 2HD1 LEU 102 2HD1 LEU 102 -15.094 16.790 -5.712 601 3HD1 LEU 102 3HD1 LEU 102 -13.636 16.726 -4.722 602 1HD2 LEU 102 1HD2 LEU 102 -15.439 14.610 -5.360 603 2HD2 LEU 102 2HD2 LEU 102 -16.295 14.075 -3.914 604 3HD2 LEU 102 3HD2 LEU 102 -14.531 14.064 -3.950 605 H VAL 103 H VAL 103 -15.357 12.528 -2.216 606 HA VAL 103 HA VAL 103 -12.528 11.827 -1.765 607 HB VAL 103 HB VAL 103 -13.942 10.603 -0.228 608 1HG1 VAL 103 1HG1 VAL 103 -15.370 8.934 -2.092 609 2HG1 VAL 103 2HG1 VAL 103 -15.984 9.882 -0.736 610 3HG1 VAL 103 3HG1 VAL 103 -15.790 10.631 -2.322 611 1HG2 VAL 103 1HG2 VAL 103 -11.986 9.482 -1.311 612 2HG2 VAL 103 2HG2 VAL 103 -13.227 8.376 -0.721 613 3HG2 VAL 103 3HG2 VAL 103 -13.113 8.735 -2.443 614 H ILE 104 H ILE 104 -11.411 11.374 -3.535 615 HA ILE 104 HA ILE 104 -12.827 10.254 -5.860 616 HB ILE 104 HB ILE 104 -10.901 11.595 -7.131 617 1HG1 ILE 104 2HG1 ILE 104 -10.294 12.531 -4.750 618 2HG1 ILE 104 3HG1 ILE 104 -10.247 13.588 -6.157 619 1HG2 ILE 104 1HG2 ILE 104 -13.190 11.764 -7.748 620 2HG2 ILE 104 2HG2 ILE 104 -13.591 12.630 -6.266 621 3HG2 ILE 104 3HG2 ILE 104 -12.600 13.407 -7.500 622 1HD1 ILE 104 1HD1 ILE 104 -12.763 13.413 -4.586 623 2HD1 ILE 104 2HD1 ILE 104 -11.408 14.338 -3.939 624 3HD1 ILE 104 3HD1 ILE 104 -12.095 14.760 -5.508 625 H THR 105 H THR 105 -11.980 8.404 -6.535 626 HA THR 105 HA THR 105 -9.105 7.946 -6.325 627 HB THR 105 HB THR 105 -9.423 5.698 -5.350 628 HG1 THR 105 HG1 THR 105 -11.393 5.004 -4.740 629 1HG2 THR 105 1HG2 THR 105 -8.927 7.726 -3.946 630 2HG2 THR 105 2HG2 THR 105 -9.703 6.398 -3.084 631 3HG2 THR 105 3HG2 THR 105 -10.648 7.804 -3.573 632 H PHE 106 H PHE 106 -8.652 5.627 -7.287 633 HA PHE 106 HA PHE 106 -9.875 5.642 -9.921 634 1HB PHE 106 2HB PHE 106 -7.639 3.894 -8.875 635 2HB PHE 106 3HB PHE 106 -8.096 4.122 -10.560 636 HD1 PHE 106 HD1 PHE 106 -6.508 5.674 -7.639 637 HD2 PHE 106 HD2 PHE 106 -7.422 6.066 -11.778 638 HE1 PHE 106 HE1 PHE 106 -4.928 7.553 -7.807 639 HE2 PHE 106 HE2 PHE 106 -5.843 7.944 -11.952 640 HZ PHE 106 HZ PHE 106 -4.592 8.690 -9.966 641 H SER 107 H SER 107 -9.715 3.053 -10.728 642 HA SER 107 HA SER 107 -10.946 1.225 -8.919 643 1HB SER 107 2HB SER 107 -12.660 2.837 -10.756 644 2HB SER 107 3HB SER 107 -13.062 1.135 -10.526 645 HG SER 107 HG SER 107 -12.636 2.919 -8.369 646 H GLU 108 H GLU 108 -12.025 -0.632 -10.381 647 HA GLU 108 HA GLU 108 -9.885 -1.452 -12.167 648 1HB GLU 108 2HB GLU 108 -12.322 -2.948 -11.184 649 2HB GLU 108 3HB GLU 108 -11.030 -3.644 -12.151 650 1HG GLU 108 2HG GLU 108 -9.651 -2.562 -10.061 651 2HG GLU 108 3HG GLU 108 -11.146 -3.086 -9.289 652 H THR 109 H THR 109 -10.107 -1.922 -14.328 653 HA THR 109 HA THR 109 -12.596 -0.972 -15.586 654 HB THR 109 HB THR 109 -11.070 -0.686 -17.646 655 HG1 THR 109 HG1 THR 109 -9.063 -0.527 -15.636 656 1HG2 THR 109 1HG2 THR 109 -12.036 1.116 -16.093 657 2HG2 THR 109 2HG2 THR 109 -10.648 1.554 -17.090 658 3HG2 THR 109 3HG2 THR 109 -10.425 1.180 -15.381 659 HA PRO 110 HA PRO 110 -12.247 -5.511 -16.503 660 1HB PRO 110 2HB PRO 110 -14.871 -6.040 -16.051 661 2HB PRO 110 3HB PRO 110 -13.656 -6.043 -14.768 662 1HG PRO 110 2HG PRO 110 -15.608 -3.903 -15.524 663 2HG PRO 110 3HG PRO 110 -15.148 -4.478 -13.911 664 1HD PRO 110 2HD PRO 110 -14.142 -2.207 -14.990 665 2HD PRO 110 3HD PRO 110 -13.208 -3.234 -13.883 666 H GLN 111 H GLN 111 -13.953 -6.774 -17.944 667 HA GLN 111 HA GLN 111 -14.900 -7.028 -19.996 668 1HB GLN 111 2HB GLN 111 -16.204 -4.871 -18.853 669 2HB GLN 111 3HB GLN 111 -15.709 -4.257 -20.425 670 1HG GLN 111 2HG GLN 111 -16.861 -6.037 -21.547 671 2HG GLN 111 3HG GLN 111 -17.238 -6.814 -20.010 672 1HE2 GLN 111 1HE2 GLN 111 -19.165 -6.135 -21.904 673 2HE2 GLN 111 2HE2 GLN 111 -20.181 -4.905 -21.242 674 H SER 112 H SER 112 -12.118 -6.037 -19.646 675 HA SER 112 HA SER 112 -11.698 -4.442 -22.051 676 1HB SER 112 2HB SER 112 -10.265 -4.857 -19.579 677 2HB SER 112 3HB SER 112 -9.207 -5.161 -20.956 678 HG SER 112 HG SER 112 -9.099 -3.086 -21.179 679 H GLN 113 H GLN 113 -11.020 -7.655 -20.771 680 HA GLN 113 HA GLN 113 -9.332 -8.614 -22.757 681 1HB GLN 113 2HB GLN 113 -10.050 -10.847 -22.090 682 2HB GLN 113 3HB GLN 113 -9.813 -9.828 -20.677 683 1HG GLN 113 2HG GLN 113 -12.366 -9.394 -20.893 684 2HG GLN 113 3HG GLN 113 -12.345 -10.874 -21.851 685 1HE2 GLN 113 1HE2 GLN 113 -11.553 -12.807 -20.846 686 2HE2 GLN 113 2HE2 GLN 113 -11.684 -13.007 -19.135 687 H VAL 114 H VAL 114 -12.738 -7.994 -22.837 688 HA VAL 114 HA VAL 114 -13.628 -9.643 -24.863 689 HB VAL 114 HB VAL 114 -15.346 -8.007 -25.333 690 1HG1 VAL 114 1HG1 VAL 114 -16.339 -7.870 -23.197 691 2HG1 VAL 114 2HG1 VAL 114 -15.320 -9.310 -23.158 692 3HG1 VAL 114 3HG1 VAL 114 -14.774 -7.819 -22.387 693 1HG2 VAL 114 1HG2 VAL 114 -14.408 -5.927 -25.524 694 2HG2 VAL 114 2HG2 VAL 114 -15.114 -5.799 -23.913 695 3HG2 VAL 114 3HG2 VAL 114 -13.392 -6.132 -24.097 696 H ALA 115 H ALA 115 -11.590 -6.820 -25.061 697 HA ALA 115 HA ALA 115 -11.863 -6.230 -27.788 698 1HB ALA 115 1HB ALA 115 -10.295 -4.678 -27.403 699 2HB ALA 115 2HB ALA 115 -10.464 -5.153 -25.713 700 3HB ALA 115 3HB ALA 115 -9.174 -5.843 -26.698 701 H GLU 116 H GLU 116 -9.590 -8.379 -26.102 702 HA GLU 116 HA GLU 116 -8.193 -9.178 -28.435 703 1HB GLU 116 2HB GLU 116 -8.024 -9.663 -25.648 704 2HB GLU 116 3HB GLU 116 -8.128 -11.231 -26.438 705 1HG GLU 116 2HG GLU 116 -6.192 -10.815 -27.728 706 2HG GLU 116 3HG GLU 116 -6.179 -9.109 -27.284 707 H ASP 117 H ASP 117 -10.828 -10.669 -26.583 708 HA ASP 117 HA ASP 117 -11.100 -12.773 -28.579 709 1HB ASP 117 2HB ASP 117 -11.665 -12.551 -25.805 710 2HB ASP 117 3HB ASP 117 -13.195 -12.837 -26.630 Start of MODEL 17 1 H THR 22 H THR 22 6.428 7.714 -3.745 2 HA THR 22 HA THR 22 6.152 6.556 -6.308 3 HB THR 22 HB THR 22 7.211 4.510 -5.123 4 HG1 THR 22 HG1 THR 22 7.086 4.752 -3.010 5 1HG2 THR 22 1HG2 THR 22 8.851 7.004 -4.854 6 2HG2 THR 22 2HG2 THR 22 8.328 6.446 -6.443 7 3HG2 THR 22 3HG2 THR 22 9.333 5.409 -5.431 8 HA PRO 23 HA PRO 23 2.165 4.782 -4.659 9 1HB PRO 23 2HB PRO 23 0.692 5.403 -6.853 10 2HB PRO 23 3HB PRO 23 0.920 6.519 -5.501 11 1HG PRO 23 2HG PRO 23 2.332 6.426 -8.139 12 2HG PRO 23 3HG PRO 23 1.718 7.830 -7.248 13 1HD PRO 23 2HD PRO 23 4.332 7.124 -7.231 14 2HD PRO 23 3HD PRO 23 3.541 7.893 -5.840 15 HA PRO 24 HA PRO 24 3.438 1.190 -7.083 16 1HB PRO 24 2HB PRO 24 2.236 -0.616 -5.451 17 2HB PRO 24 3HB PRO 24 3.804 0.113 -5.087 18 1HG PRO 24 2HG PRO 24 1.092 0.837 -4.048 19 2HG PRO 24 3HG PRO 24 2.627 0.706 -3.171 20 1HD PRO 24 2HD PRO 24 1.594 3.084 -3.951 21 2HD PRO 24 3HD PRO 24 3.342 2.787 -3.857 22 H HIS 25 H HIS 25 2.287 1.142 -8.941 23 HA HIS 25 HA HIS 25 -0.574 0.461 -8.757 24 1HB HIS 25 2HB HIS 25 -0.953 1.632 -10.818 25 2HB HIS 25 3HB HIS 25 -0.055 2.707 -9.751 26 HD1 HIS 25 HD1 HIS 25 0.020 1.226 -13.076 27 HD2 HIS 25 HD2 HIS 25 2.779 2.872 -10.443 28 HE1 HIS 25 HE1 HIS 25 2.053 1.736 -14.466 29 H THR 26 H THR 26 -1.368 -1.194 -10.006 30 HA THR 26 HA THR 26 0.655 -2.968 -11.164 31 HB THR 26 HB THR 26 -1.440 -4.551 -11.236 32 HG1 THR 26 HG1 THR 26 -2.949 -4.033 -9.623 33 1HG2 THR 26 1HG2 THR 26 0.607 -4.026 -9.330 34 2HG2 THR 26 2HG2 THR 26 -0.221 -5.547 -9.661 35 3HG2 THR 26 3HG2 THR 26 -0.868 -4.435 -8.456 36 H GLU 27 H GLU 27 -2.531 -1.583 -11.926 37 HA GLU 27 HA GLU 27 -1.832 -1.715 -14.767 38 1HB GLU 27 2HB GLU 27 -4.301 -2.363 -15.163 39 2HB GLU 27 3HB GLU 27 -3.173 -3.619 -14.674 40 1HG GLU 27 2HG GLU 27 -4.095 -3.838 -12.595 41 2HG GLU 27 3HG GLU 27 -4.693 -2.180 -12.565 42 HA PRO 28 HA PRO 28 -3.487 2.340 -15.008 43 1HB PRO 28 2HB PRO 28 -4.548 2.362 -17.506 44 2HB PRO 28 3HB PRO 28 -2.807 2.372 -17.202 45 1HG PRO 28 2HG PRO 28 -4.591 0.079 -17.925 46 2HG PRO 28 3HG PRO 28 -2.975 0.475 -18.537 47 1HD PRO 28 2HD PRO 28 -3.393 -1.416 -16.645 48 2HD PRO 28 3HD PRO 28 -1.919 -0.427 -16.698 49 H SER 29 H SER 29 -5.625 3.435 -16.095 50 HA SER 29 HA SER 29 -8.064 2.071 -15.961 51 1HB SER 29 2HB SER 29 -8.614 1.995 -13.790 52 2HB SER 29 3HB SER 29 -6.972 2.512 -13.405 53 HG SER 29 HG SER 29 -9.297 4.088 -13.704 54 H GLN 30 H GLN 30 -9.312 3.270 -17.218 55 HA GLN 30 HA GLN 30 -8.863 6.166 -17.320 56 1HB GLN 30 2HB GLN 30 -10.510 4.546 -19.254 57 2HB GLN 30 3HB GLN 30 -9.825 6.148 -19.491 58 1HG GLN 30 2HG GLN 30 -7.552 5.058 -19.305 59 2HG GLN 30 3HG GLN 30 -8.392 3.513 -19.422 60 1HE2 GLN 30 1HE2 GLN 30 -6.688 3.743 -21.304 61 2HE2 GLN 30 2HE2 GLN 30 -7.374 4.229 -22.813 62 H VAL 31 H VAL 31 -10.439 4.703 -15.250 63 HA VAL 31 HA VAL 31 -12.818 6.384 -15.414 64 HB VAL 31 HB VAL 31 -14.346 4.601 -14.817 65 1HG1 VAL 31 1HG1 VAL 31 -13.972 5.069 -17.197 66 2HG1 VAL 31 2HG1 VAL 31 -12.712 3.834 -17.234 67 3HG1 VAL 31 3HG1 VAL 31 -14.387 3.378 -16.916 68 1HG2 VAL 31 1HG2 VAL 31 -13.571 2.228 -14.915 69 2HG2 VAL 31 2HG2 VAL 31 -11.913 2.827 -14.964 70 3HG2 VAL 31 3HG2 VAL 31 -12.925 3.146 -13.555 71 H VAL 32 H VAL 32 -13.703 6.928 -13.415 72 HA VAL 32 HA VAL 32 -12.231 5.980 -11.047 73 HB VAL 32 HB VAL 32 -12.159 8.173 -10.106 74 1HG1 VAL 32 1HG1 VAL 32 -10.747 9.369 -11.717 75 2HG1 VAL 32 2HG1 VAL 32 -10.355 7.650 -11.652 76 3HG1 VAL 32 3HG1 VAL 32 -11.302 8.289 -12.996 77 1HG2 VAL 32 1HG2 VAL 32 -14.155 8.749 -12.178 78 2HG2 VAL 32 2HG2 VAL 32 -13.944 9.456 -10.576 79 3HG2 VAL 32 3HG2 VAL 32 -12.963 10.024 -11.927 80 H LEU 33 H LEU 33 -13.427 5.574 -9.250 81 HA LEU 33 HA LEU 33 -16.338 5.857 -9.534 82 1HB LEU 33 2HB LEU 33 -15.977 3.621 -9.192 83 2HB LEU 33 3HB LEU 33 -14.564 3.894 -8.176 84 HG LEU 33 HG LEU 33 -15.995 4.501 -6.308 85 1HD1 LEU 33 1HD1 LEU 33 -18.531 3.639 -7.270 86 2HD1 LEU 33 2HD1 LEU 33 -17.925 4.910 -8.331 87 3HD1 LEU 33 3HD1 LEU 33 -18.074 5.205 -6.599 88 1HD2 LEU 33 1HD2 LEU 33 -17.336 2.028 -7.155 89 2HD2 LEU 33 2HD2 LEU 33 -16.363 2.362 -5.722 90 3HD2 LEU 33 3HD2 LEU 33 -15.576 1.999 -7.259 91 H ILE 34 H ILE 34 -17.449 7.159 -8.222 92 HA ILE 34 HA ILE 34 -16.076 8.225 -5.841 93 HB ILE 34 HB ILE 34 -17.345 10.305 -6.131 94 1HG1 ILE 34 2HG1 ILE 34 -19.031 8.843 -7.698 95 2HG1 ILE 34 3HG1 ILE 34 -18.985 10.602 -7.660 96 1HG2 ILE 34 1HG2 ILE 34 -15.675 9.430 -8.478 97 2HG2 ILE 34 2HG2 ILE 34 -16.175 11.098 -8.199 98 3HG2 ILE 34 3HG2 ILE 34 -15.139 10.281 -7.029 99 1HD1 ILE 34 1HD1 ILE 34 -18.984 9.577 -9.937 100 2HD1 ILE 34 2HD1 ILE 34 -17.651 10.687 -9.618 101 3HD1 ILE 34 3HD1 ILE 34 -17.377 8.945 -9.582 102 H THR 35 H THR 35 -17.332 8.629 -3.991 103 HA THR 35 HA THR 35 -20.099 7.690 -3.993 104 HB THR 35 HB THR 35 -19.819 6.169 -2.175 105 HG1 THR 35 HG1 THR 35 -17.946 5.983 -1.038 106 1HG2 THR 35 1HG2 THR 35 -18.569 4.429 -3.182 107 2HG2 THR 35 2HG2 THR 35 -17.503 5.568 -4.004 108 3HG2 THR 35 3HG2 THR 35 -19.184 5.408 -4.513 109 H ASN 36 H ASN 36 -20.774 7.800 -1.433 110 HA ASN 36 HA ASN 36 -21.307 9.183 0.292 111 1HB ASN 36 2HB ASN 36 -18.487 9.447 -0.044 112 2HB ASN 36 3HB ASN 36 -19.144 11.040 0.322 113 1HD2 ASN 36 1HD2 ASN 36 -21.185 10.500 1.999 114 2HD2 ASN 36 2HD2 ASN 36 -20.597 9.765 3.448 115 H ILE 37 H ILE 37 -21.841 9.881 -2.575 116 HA ILE 37 HA ILE 37 -21.870 12.783 -2.575 117 HB ILE 37 HB ILE 37 -23.040 12.497 -4.783 118 1HG1 ILE 37 2HG1 ILE 37 -22.310 9.585 -4.434 119 2HG1 ILE 37 3HG1 ILE 37 -23.940 10.212 -4.218 120 1HG2 ILE 37 1HG2 ILE 37 -21.021 11.741 -5.962 121 2HG2 ILE 37 2HG2 ILE 37 -20.647 12.867 -4.658 122 3HG2 ILE 37 3HG2 ILE 37 -20.370 11.139 -4.438 123 1HD1 ILE 37 1HD1 ILE 37 -22.319 10.262 -6.751 124 2HD1 ILE 37 2HD1 ILE 37 -23.720 9.247 -6.405 125 3HD1 ILE 37 3HD1 ILE 37 -23.912 10.994 -6.553 126 H ASN 38 H ASN 38 -23.596 14.061 -2.198 127 HA ASN 38 HA ASN 38 -25.818 13.018 -0.787 128 1HB ASN 38 2HB ASN 38 -24.677 15.484 -1.001 129 2HB ASN 38 3HB ASN 38 -26.129 15.700 -1.974 130 1HD2 ASN 38 1HD2 ASN 38 -25.562 17.005 0.470 131 2HD2 ASN 38 2HD2 ASN 38 -26.763 16.522 1.615 132 HA PRO 39 HA PRO 39 -28.115 11.819 -4.442 133 1HB PRO 39 2HB PRO 39 -30.162 10.674 -3.076 134 2HB PRO 39 3HB PRO 39 -28.606 9.873 -3.324 135 1HG PRO 39 2HG PRO 39 -29.614 11.352 -0.924 136 2HG PRO 39 3HG PRO 39 -28.724 9.820 -1.002 137 1HD PRO 39 2HD PRO 39 -27.525 12.172 -0.401 138 2HD PRO 39 3HD PRO 39 -26.690 10.870 -1.273 139 H GLU 40 H GLU 40 -28.896 14.042 -1.986 140 HA GLU 40 HA GLU 40 -31.541 14.688 -2.433 141 1HB GLU 40 2HB GLU 40 -29.159 16.174 -1.479 142 2HB GLU 40 3HB GLU 40 -30.538 17.141 -1.982 143 1HG GLU 40 2HG GLU 40 -31.960 15.872 -0.419 144 2HG GLU 40 3HG GLU 40 -30.532 14.992 0.124 145 H VAL 41 H VAL 41 -28.771 15.288 -4.438 146 HA VAL 41 HA VAL 41 -30.345 17.012 -6.216 147 HB VAL 41 HB VAL 41 -28.172 17.908 -5.662 148 1HG1 VAL 41 1HG1 VAL 41 -27.100 15.285 -6.687 149 2HG1 VAL 41 2HG1 VAL 41 -26.104 16.705 -6.361 150 3HG1 VAL 41 3HG1 VAL 41 -26.983 15.921 -5.047 151 1HG2 VAL 41 1HG2 VAL 41 -28.367 16.860 -8.479 152 2HG2 VAL 41 2HG2 VAL 41 -28.905 18.426 -7.872 153 3HG2 VAL 41 3HG2 VAL 41 -27.182 18.059 -7.961 154 HA PRO 42 HA PRO 42 -31.049 13.617 -8.958 155 1HB PRO 42 2HB PRO 42 -31.845 15.060 -11.115 156 2HB PRO 42 3HB PRO 42 -32.871 14.805 -9.698 157 1HG PRO 42 2HG PRO 42 -31.195 17.178 -10.420 158 2HG PRO 42 3HG PRO 42 -32.842 17.129 -9.763 159 1HD PRO 42 2HD PRO 42 -30.673 17.631 -8.221 160 2HD PRO 42 3HD PRO 42 -32.107 16.783 -7.606 161 H LYS 43 H LYS 43 -30.038 12.570 -10.648 162 HA LYS 43 HA LYS 43 -27.383 12.981 -11.156 163 1HB LYS 43 2HB LYS 43 -28.424 10.903 -11.755 164 2HB LYS 43 3HB LYS 43 -29.478 11.702 -12.915 165 1HG LYS 43 2HG LYS 43 -27.504 12.276 -14.272 166 2HG LYS 43 3HG LYS 43 -26.490 11.390 -13.131 167 1HD LYS 43 2HD LYS 43 -27.717 9.338 -13.622 168 2HD LYS 43 3HD LYS 43 -28.761 10.220 -14.739 169 1HE LYS 43 2HE LYS 43 -26.710 10.814 -16.046 170 2HE LYS 43 3HE LYS 43 -25.799 9.728 -14.999 171 1HZ LYS 43 1HZ LYS 43 -27.342 9.097 -17.265 172 2HZ LYS 43 2HZ LYS 43 -28.017 8.325 -15.920 173 3HZ LYS 43 3HZ LYS 43 -26.392 8.068 -16.314 174 H GLU 44 H GLU 44 -30.133 14.403 -12.815 175 HA GLU 44 HA GLU 44 -28.901 15.440 -15.069 176 1HB GLU 44 2HB GLU 44 -31.375 15.493 -14.423 177 2HB GLU 44 3HB GLU 44 -30.991 16.942 -13.503 178 1HG GLU 44 2HG GLU 44 -30.079 17.920 -15.631 179 2HG GLU 44 3HG GLU 44 -30.775 16.535 -16.471 180 H LYS 45 H LYS 45 -29.292 16.989 -11.887 181 HA LYS 45 HA LYS 45 -27.613 19.210 -12.644 182 1HB LYS 45 2HB LYS 45 -29.269 18.464 -10.309 183 2HB LYS 45 3HB LYS 45 -27.871 19.474 -9.964 184 1HG LYS 45 2HG LYS 45 -29.328 21.134 -10.385 185 2HG LYS 45 3HG LYS 45 -28.878 20.808 -12.061 186 1HD LYS 45 2HD LYS 45 -31.128 20.683 -12.312 187 2HD LYS 45 3HD LYS 45 -30.852 19.020 -11.789 188 1HE LYS 45 2HE LYS 45 -32.386 19.461 -10.219 189 2HE LYS 45 3HE LYS 45 -31.089 20.336 -9.407 190 1HZ LYS 45 1HZ LYS 45 -32.782 21.688 -11.406 191 2HZ LYS 45 2HZ LYS 45 -31.885 22.363 -10.141 192 3HZ LYS 45 3HZ LYS 45 -33.313 21.520 -9.809 193 H LEU 46 H LEU 46 -27.375 16.463 -10.403 194 HA LEU 46 HA LEU 46 -24.899 16.971 -9.299 195 1HB LEU 46 2HB LEU 46 -26.014 15.189 -8.353 196 2HB LEU 46 3HB LEU 46 -26.405 14.472 -9.915 197 HG LEU 46 HG LEU 46 -23.540 14.505 -9.313 198 1HD1 LEU 46 1HD1 LEU 46 -24.536 14.174 -7.046 199 2HD1 LEU 46 2HD1 LEU 46 -23.559 12.824 -7.623 200 3HD1 LEU 46 3HD1 LEU 46 -25.319 12.720 -7.665 201 1HD2 LEU 46 1HD2 LEU 46 -25.412 13.050 -10.858 202 2HD2 LEU 46 2HD2 LEU 46 -24.654 11.920 -9.736 203 3HD2 LEU 46 3HD2 LEU 46 -23.657 12.887 -10.824 204 H GLN 47 H GLN 47 -25.514 14.872 -12.121 205 HA GLN 47 HA GLN 47 -22.909 14.353 -12.835 206 1HB GLN 47 2HB GLN 47 -25.075 13.448 -13.858 207 2HB GLN 47 3HB GLN 47 -25.058 14.880 -14.878 208 1HG GLN 47 2HG GLN 47 -22.546 13.972 -15.263 209 2HG GLN 47 3HG GLN 47 -23.404 12.457 -14.987 210 1HE2 GLN 47 1HE2 GLN 47 -24.343 11.558 -16.675 211 2HE2 GLN 47 2HE2 GLN 47 -24.747 12.352 -18.155 212 H ALA 48 H ALA 48 -24.914 17.112 -13.819 213 HA ALA 48 HA ALA 48 -23.200 18.349 -15.590 214 1HB ALA 48 1HB ALA 48 -24.721 19.980 -15.568 215 2HB ALA 48 2HB ALA 48 -25.601 18.988 -14.404 216 3HB ALA 48 3HB ALA 48 -24.518 20.260 -13.838 217 H LEU 49 H LEU 49 -23.194 18.480 -12.060 218 HA LEU 49 HA LEU 49 -21.120 20.433 -11.885 219 1HB LEU 49 2HB LEU 49 -22.852 19.045 -10.104 220 2HB LEU 49 3HB LEU 49 -21.196 18.841 -9.538 221 HG LEU 49 HG LEU 49 -22.122 20.723 -8.414 222 1HD1 LEU 49 1HD1 LEU 49 -20.441 21.871 -10.627 223 2HD1 LEU 49 2HD1 LEU 49 -19.780 20.878 -9.328 224 3HD1 LEU 49 3HD1 LEU 49 -20.560 22.415 -8.953 225 1HD2 LEU 49 1HD2 LEU 49 -22.606 22.546 -10.560 226 2HD2 LEU 49 2HD2 LEU 49 -23.709 21.994 -9.300 227 3HD2 LEU 49 3HD2 LEU 49 -23.565 21.087 -10.806 228 H LEU 50 H LEU 50 -21.221 16.900 -11.556 229 HA LEU 50 HA LEU 50 -18.574 16.445 -10.869 230 1HB LEU 50 2HB LEU 50 -20.276 14.730 -12.670 231 2HB LEU 50 3HB LEU 50 -18.865 14.208 -11.753 232 HG LEU 50 HG LEU 50 -21.612 14.887 -10.751 233 1HD1 LEU 50 1HD1 LEU 50 -21.500 12.701 -9.768 234 2HD1 LEU 50 2HD1 LEU 50 -19.813 12.523 -10.248 235 3HD1 LEU 50 3HD1 LEU 50 -21.077 12.577 -11.476 236 1HD2 LEU 50 1HD2 LEU 50 -20.106 16.105 -9.312 237 2HD2 LEU 50 2HD2 LEU 50 -19.070 14.687 -9.139 238 3HD2 LEU 50 3HD2 LEU 50 -20.699 14.678 -8.463 239 H TYR 51 H TYR 51 -20.004 17.087 -14.010 240 HA TYR 51 HA TYR 51 -17.663 16.458 -15.517 241 1HB TYR 51 2HB TYR 51 -19.954 16.439 -16.477 242 2HB TYR 51 3HB TYR 51 -20.016 18.189 -16.304 243 HD1 TYR 51 HD1 TYR 51 -18.631 15.402 -18.216 244 HD2 TYR 51 HD2 TYR 51 -18.677 19.632 -17.752 245 HE1 TYR 51 HE1 TYR 51 -17.594 15.651 -20.432 246 HE2 TYR 51 HE2 TYR 51 -17.642 19.892 -19.968 247 HH TYR 51 HH TYR 51 -16.059 17.645 -21.532 248 H ALA 52 H ALA 52 -19.110 19.466 -14.323 249 HA ALA 52 HA ALA 52 -17.434 21.321 -15.489 250 1HB ALA 52 1HB ALA 52 -19.328 21.291 -13.370 251 2HB ALA 52 2HB ALA 52 -17.905 22.184 -12.833 252 3HB ALA 52 3HB ALA 52 -18.743 22.665 -14.309 253 H LEU 53 H LEU 53 -16.977 19.692 -12.352 254 HA LEU 53 HA LEU 53 -14.420 20.837 -11.880 255 1HB LEU 53 2HB LEU 53 -15.434 18.269 -10.696 256 2HB LEU 53 3HB LEU 53 -14.283 19.410 -10.001 257 HG LEU 53 HG LEU 53 -17.187 20.070 -10.455 258 1HD1 LEU 53 1HD1 LEU 53 -16.975 19.794 -7.785 259 2HD1 LEU 53 2HD1 LEU 53 -15.884 18.517 -8.319 260 3HD1 LEU 53 3HD1 LEU 53 -17.562 18.525 -8.860 261 1HD2 LEU 53 1HD2 LEU 53 -15.517 21.350 -8.375 262 2HD2 LEU 53 2HD2 LEU 53 -16.781 22.033 -9.398 263 3HD2 LEU 53 3HD2 LEU 53 -15.165 21.768 -10.053 264 H ALA 54 H ALA 54 -15.517 17.785 -13.270 265 HA ALA 54 HA ALA 54 -13.071 16.457 -13.425 266 1HB ALA 54 1HB ALA 54 -15.178 15.339 -13.859 267 2HB ALA 54 2HB ALA 54 -15.417 16.307 -15.314 268 3HB ALA 54 3HB ALA 54 -14.092 15.145 -15.235 269 H SER 55 H SER 55 -14.664 18.448 -15.920 270 HA SER 55 HA SER 55 -12.657 18.321 -17.839 271 1HB SER 55 2HB SER 55 -15.084 19.442 -17.806 272 2HB SER 55 3HB SER 55 -14.124 20.896 -17.535 273 HG SER 55 HG SER 55 -14.550 19.610 -19.819 274 H SER 56 H SER 56 -12.935 20.329 -14.984 275 HA SER 56 HA SER 56 -11.026 22.273 -15.544 276 1HB SER 56 2HB SER 56 -12.593 21.609 -13.363 277 2HB SER 56 3HB SER 56 -10.952 21.361 -12.766 278 HG SER 56 HG SER 56 -11.719 23.708 -14.144 279 H GLN 57 H GLN 57 -10.640 18.923 -14.788 280 HA GLN 57 HA GLN 57 -7.736 19.289 -14.497 281 1HB GLN 57 2HB GLN 57 -9.555 17.041 -13.636 282 2HB GLN 57 3HB GLN 57 -7.800 16.919 -13.612 283 1HG GLN 57 2HG GLN 57 -9.029 19.237 -12.237 284 2HG GLN 57 3HG GLN 57 -9.210 17.649 -11.492 285 1HE2 GLN 57 1HE2 GLN 57 -7.518 20.258 -11.126 286 2HE2 GLN 57 2HE2 GLN 57 -5.960 19.631 -10.726 287 HN2 GLY 58 H GLY 58 -9.796 16.617 -15.651 288 1HA GLY 58 2HA GLY 58 -8.142 16.554 -18.099 289 2HA GLY 58 3HA GLY 58 -8.606 15.089 -17.248 290 H ASP 59 H ASP 59 -9.214 15.129 -19.823 291 HA ASP 59 HA ASP 59 -11.807 16.249 -20.346 292 1HB ASP 59 2HB ASP 59 -10.144 14.255 -21.898 293 2HB ASP 59 3HB ASP 59 -11.647 14.967 -22.477 294 H ILE 60 H ILE 60 -13.770 15.231 -20.405 295 HA ILE 60 HA ILE 60 -13.879 12.611 -19.083 296 HB ILE 60 HB ILE 60 -16.096 14.628 -19.458 297 1HG1 ILE 60 2HG1 ILE 60 -15.675 14.554 -16.797 298 2HG1 ILE 60 3HG1 ILE 60 -14.036 14.242 -17.359 299 1HG2 ILE 60 1HG2 ILE 60 -16.570 12.813 -17.332 300 2HG2 ILE 60 2HG2 ILE 60 -17.482 13.017 -18.827 301 3HG2 ILE 60 3HG2 ILE 60 -16.139 11.876 -18.762 302 1HD1 ILE 60 1HD1 ILE 60 -14.930 16.374 -18.903 303 2HD1 ILE 60 2HD1 ILE 60 -15.507 16.708 -17.270 304 3HD1 ILE 60 3HD1 ILE 60 -13.790 16.429 -17.559 305 H LEU 61 H LEU 61 -14.691 10.859 -20.075 306 HA LEU 61 HA LEU 61 -15.531 11.157 -22.863 307 1HB LEU 61 2HB LEU 61 -15.043 8.537 -21.506 308 2HB LEU 61 3HB LEU 61 -14.894 8.949 -23.213 309 HG LEU 61 HG LEU 61 -12.991 9.671 -20.988 310 1HD1 LEU 61 1HD1 LEU 61 -12.391 7.546 -21.553 311 2HD1 LEU 61 2HD1 LEU 61 -11.484 8.439 -22.773 312 3HD1 LEU 61 3HD1 LEU 61 -13.020 7.683 -23.195 313 1HD2 LEU 61 1HD2 LEU 61 -11.670 10.482 -23.117 314 2HD2 LEU 61 2HD2 LEU 61 -12.792 11.551 -22.274 315 3HD2 LEU 61 3HD2 LEU 61 -13.296 10.730 -23.752 316 H ASP 62 H ASP 62 -16.696 10.199 -19.737 317 HA ASP 62 HA ASP 62 -19.391 10.416 -20.416 318 1HB ASP 62 2HB ASP 62 -18.324 8.005 -21.347 319 2HB ASP 62 3HB ASP 62 -19.189 7.575 -19.874 320 H ILE 63 H ILE 63 -20.381 10.874 -18.569 321 HA ILE 63 HA ILE 63 -19.173 9.925 -16.064 322 HB ILE 63 HB ILE 63 -21.097 12.215 -16.488 323 1HG1 ILE 63 2HG1 ILE 63 -18.111 12.198 -15.994 324 2HG1 ILE 63 3HG1 ILE 63 -18.917 12.686 -17.481 325 1HG2 ILE 63 1HG2 ILE 63 -21.256 11.156 -14.272 326 2HG2 ILE 63 2HG2 ILE 63 -19.530 11.427 -14.036 327 3HG2 ILE 63 3HG2 ILE 63 -20.626 12.800 -14.184 328 1HD1 ILE 63 1HD1 ILE 63 -18.917 14.079 -14.826 329 2HD1 ILE 63 2HD1 ILE 63 -18.325 14.670 -16.379 330 3HD1 ILE 63 3HD1 ILE 63 -20.057 14.477 -16.111 331 H VAL 64 H VAL 64 -20.127 8.197 -15.226 332 HA VAL 64 HA VAL 64 -22.970 7.720 -15.713 333 HB VAL 64 HB VAL 64 -20.958 5.907 -14.375 334 1HG1 VAL 64 1HG1 VAL 64 -23.836 5.719 -14.964 335 2HG1 VAL 64 2HG1 VAL 64 -22.879 4.294 -15.371 336 3HG1 VAL 64 3HG1 VAL 64 -22.875 4.918 -13.721 337 1HG2 VAL 64 1HG2 VAL 64 -20.113 5.574 -16.406 338 2HG2 VAL 64 2HG2 VAL 64 -21.656 4.847 -16.853 339 3HG2 VAL 64 3HG2 VAL 64 -21.367 6.560 -17.159 340 H VAL 65 H VAL 65 -24.463 7.368 -14.054 341 HA VAL 65 HA VAL 65 -23.611 7.968 -11.317 342 HB VAL 65 HB VAL 65 -25.922 9.374 -12.664 343 1HG1 VAL 65 1HG1 VAL 65 -24.803 9.620 -9.873 344 2HG1 VAL 65 2HG1 VAL 65 -26.067 10.641 -10.563 345 3HG1 VAL 65 3HG1 VAL 65 -26.358 8.918 -10.319 346 1HG2 VAL 65 1HG2 VAL 65 -23.246 10.437 -11.762 347 2HG2 VAL 65 2HG2 VAL 65 -23.786 10.251 -13.431 348 3HG2 VAL 65 3HG2 VAL 65 -24.584 11.413 -12.370 349 H ASP 66 H ASP 66 -24.875 7.050 -9.719 350 HA ASP 66 HA ASP 66 -26.444 4.786 -10.524 351 1HB ASP 66 2HB ASP 66 -24.906 5.287 -8.356 352 2HB ASP 66 3HB ASP 66 -26.499 5.636 -7.689 353 H LEU 67 H LEU 67 -28.398 4.688 -8.537 354 HA LEU 67 HA LEU 67 -30.290 6.677 -9.570 355 1HB LEU 67 2HB LEU 67 -31.998 5.102 -8.554 356 2HB LEU 67 3HB LEU 67 -31.108 4.521 -9.960 357 HG LEU 67 HG LEU 67 -31.524 2.903 -8.004 358 1HD1 LEU 67 1HD1 LEU 67 -29.547 3.100 -9.932 359 2HD1 LEU 67 2HD1 LEU 67 -29.949 1.673 -8.977 360 3HD1 LEU 67 3HD1 LEU 67 -28.666 2.759 -8.442 361 1HD2 LEU 67 1HD2 LEU 67 -30.800 4.512 -6.258 362 2HD2 LEU 67 2HD2 LEU 67 -29.155 4.395 -6.884 363 3HD2 LEU 67 3HD2 LEU 67 -29.941 2.973 -6.198 364 H SER 68 H SER 68 -28.264 6.677 -7.166 365 HA SER 68 HA SER 68 -28.168 7.497 -5.039 366 1HB SER 68 2HB SER 68 -30.087 9.172 -6.530 367 2HB SER 68 3HB SER 68 -30.178 9.318 -4.775 368 HG SER 68 HG SER 68 -28.396 10.394 -6.416 369 H ASP 69 H ASP 69 -28.740 5.511 -4.036 370 HA ASP 69 HA ASP 69 -31.498 4.978 -3.379 371 1HB ASP 69 2HB ASP 69 -29.509 3.294 -3.754 372 2HB ASP 69 3HB ASP 69 -29.213 3.583 -2.042 373 H ASP 70 H ASP 70 -30.149 7.471 -2.427 374 HA ASP 70 HA ASP 70 -30.406 8.821 -0.600 375 1HB ASP 70 2HB ASP 70 -32.353 6.975 -0.188 376 2HB ASP 70 3HB ASP 70 -31.351 6.708 1.236 377 H ASN 71 H ASN 71 -29.545 5.561 0.574 378 HA ASN 71 HA ASN 71 -27.436 6.733 2.215 379 1HB ASN 71 2HB ASN 71 -29.039 4.287 2.291 380 2HB ASN 71 3HB ASN 71 -27.330 3.999 2.605 381 1HD2 ASN 71 1HD2 ASN 71 -27.833 3.436 4.744 382 2HD2 ASN 71 2HD2 ASN 71 -28.196 4.640 5.929 383 H SER 72 H SER 72 -27.855 5.096 -0.763 384 HA SER 72 HA SER 72 -25.163 4.056 -0.900 385 1HB SER 72 2HB SER 72 -27.365 4.247 -2.968 386 2HB SER 72 3HB SER 72 -25.800 3.486 -3.257 387 HG SER 72 HG SER 72 -27.599 2.080 -2.563 388 HN2 GLY 73 H GLY 73 -26.841 6.148 -3.239 389 1HA GLY 73 2HA GLY 73 -26.024 7.850 -4.558 390 2HA GLY 73 3HA GLY 73 -25.360 8.446 -3.044 391 H LYS 74 H LYS 74 -24.702 6.677 -5.975 392 HA LYS 74 HA LYS 74 -21.839 7.127 -5.539 393 1HB LYS 74 2HB LYS 74 -21.312 4.889 -6.424 394 2HB LYS 74 3HB LYS 74 -22.223 4.805 -4.922 395 1HG LYS 74 2HG LYS 74 -24.273 4.651 -6.568 396 2HG LYS 74 3HG LYS 74 -23.035 4.063 -7.681 397 1HD LYS 74 2HD LYS 74 -22.895 2.865 -5.016 398 2HD LYS 74 3HD LYS 74 -24.403 2.529 -5.870 399 1HE LYS 74 2HE LYS 74 -22.971 1.864 -7.850 400 2HE LYS 74 3HE LYS 74 -21.590 1.928 -6.756 401 1HZ LYS 74 1HZ LYS 74 -23.094 0.375 -5.325 402 2HZ LYS 74 2HZ LYS 74 -22.179 -0.259 -6.598 403 3HZ LYS 74 3HZ LYS 74 -23.831 0.035 -6.810 404 H ALA 75 H ALA 75 -20.572 7.016 -7.540 405 HA ALA 75 HA ALA 75 -21.950 7.039 -10.064 406 1HB ALA 75 1HB ALA 75 -21.120 9.584 -8.753 407 2HB ALA 75 2HB ALA 75 -20.984 9.435 -10.505 408 3HB ALA 75 3HB ALA 75 -22.550 9.228 -9.722 409 H TYR 76 H TYR 76 -20.347 7.780 -11.846 410 HA TYR 76 HA TYR 76 -17.569 7.219 -11.152 411 1HB TYR 76 2HB TYR 76 -18.773 5.730 -13.462 412 2HB TYR 76 3HB TYR 76 -17.301 5.380 -12.563 413 HD1 TYR 76 HD1 TYR 76 -17.354 4.062 -10.564 414 HD2 TYR 76 HD2 TYR 76 -20.977 5.159 -12.505 415 HE1 TYR 76 HE1 TYR 76 -18.579 2.441 -9.179 416 HE2 TYR 76 HE2 TYR 76 -22.213 3.542 -11.125 417 HH TYR 76 HH TYR 76 -21.509 1.290 -9.855 418 H ILE 77 H ILE 77 -16.238 8.537 -12.208 419 HA ILE 77 HA ILE 77 -17.287 9.988 -14.542 420 HB ILE 77 HB ILE 77 -14.950 10.790 -12.810 421 1HG1 ILE 77 2HG1 ILE 77 -17.828 11.718 -12.688 422 2HG1 ILE 77 3HG1 ILE 77 -17.007 10.744 -11.473 423 1HG2 ILE 77 1HG2 ILE 77 -16.560 12.654 -14.488 424 2HG2 ILE 77 2HG2 ILE 77 -14.872 12.757 -13.991 425 3HG2 ILE 77 3HG2 ILE 77 -15.351 11.629 -15.259 426 1HD1 ILE 77 1HD1 ILE 77 -16.801 13.637 -12.048 427 2HD1 ILE 77 2HD1 ILE 77 -16.801 12.779 -10.507 428 3HD1 ILE 77 3HD1 ILE 77 -15.344 12.807 -11.501 429 H VAL 78 H VAL 78 -16.661 8.981 -16.351 430 HA VAL 78 HA VAL 78 -14.128 7.613 -16.541 431 HB VAL 78 HB VAL 78 -16.095 8.192 -18.758 432 1HG1 VAL 78 1HG1 VAL 78 -14.637 5.725 -18.963 433 2HG1 VAL 78 2HG1 VAL 78 -14.713 7.077 -20.094 434 3HG1 VAL 78 3HG1 VAL 78 -13.524 7.082 -18.791 435 1HG2 VAL 78 1HG2 VAL 78 -17.041 5.997 -18.323 436 2HG2 VAL 78 2HG2 VAL 78 -15.935 5.767 -16.968 437 3HG2 VAL 78 3HG2 VAL 78 -17.178 7.016 -16.889 438 H PHE 79 H PHE 79 -12.268 8.468 -17.183 439 HA PHE 79 HA PHE 79 -12.325 11.086 -18.529 440 1HB PHE 79 2HB PHE 79 -10.324 9.822 -16.667 441 2HB PHE 79 3HB PHE 79 -9.894 11.188 -17.691 442 HD1 PHE 79 HD1 PHE 79 -10.989 13.370 -17.365 443 HD2 PHE 79 HD2 PHE 79 -11.663 10.100 -14.726 444 HE1 PHE 79 HE1 PHE 79 -11.902 14.919 -15.685 445 HE2 PHE 79 HE2 PHE 79 -12.578 11.643 -13.042 446 HZ PHE 79 HZ PHE 79 -12.699 14.056 -13.521 447 H ALA 80 H ALA 80 -10.062 11.390 -19.730 448 HA ALA 80 HA ALA 80 -10.156 9.716 -21.990 449 1HB ALA 80 1HB ALA 80 -7.626 10.982 -21.897 450 2HB ALA 80 2HB ALA 80 -9.048 11.441 -22.834 451 3HB ALA 80 3HB ALA 80 -8.809 12.099 -21.215 452 H THR 81 H THR 81 -7.942 9.822 -19.226 453 HA THR 81 HA THR 81 -7.330 7.040 -19.495 454 HB THR 81 HB THR 81 -4.760 8.373 -19.557 455 HG1 THR 81 HG1 THR 81 -4.852 9.263 -21.565 456 1HG2 THR 81 1HG2 THR 81 -4.164 6.529 -20.736 457 2HG2 THR 81 2HG2 THR 81 -5.612 6.571 -21.741 458 3HG2 THR 81 3HG2 THR 81 -5.691 5.911 -20.108 459 H GLN 82 H GLN 82 -5.615 6.382 -17.863 460 HA GLN 82 HA GLN 82 -6.338 7.173 -15.319 461 1HB GLN 82 2HB GLN 82 -4.804 5.194 -16.279 462 2HB GLN 82 3HB GLN 82 -3.537 6.260 -15.686 463 1HG GLN 82 2HG GLN 82 -5.753 5.801 -13.817 464 2HG GLN 82 3HG GLN 82 -4.784 4.379 -14.202 465 1HE2 GLN 82 1HE2 GLN 82 -4.361 4.633 -11.837 466 2HE2 GLN 82 2HE2 GLN 82 -3.017 5.614 -11.374 467 H GLU 83 H GLU 83 -4.001 8.582 -17.481 468 HA GLU 83 HA GLU 83 -2.455 10.056 -15.697 469 1HB GLU 83 2HB GLU 83 -3.201 10.360 -18.568 470 2HB GLU 83 3HB GLU 83 -2.432 11.721 -17.765 471 1HG GLU 83 2HG GLU 83 -0.471 10.514 -17.346 472 2HG GLU 83 3HG GLU 83 -1.252 8.968 -17.677 473 H SER 84 H SER 84 -5.393 11.079 -17.437 474 HA SER 84 HA SER 84 -5.561 13.569 -16.050 475 1HB SER 84 2HB SER 84 -7.078 12.161 -18.131 476 2HB SER 84 3HB SER 84 -8.083 13.138 -17.060 477 HG SER 84 HG SER 84 -7.042 14.150 -19.019 478 H ALA 85 H ALA 85 -7.284 10.478 -15.802 479 HA ALA 85 HA ALA 85 -9.157 11.133 -13.877 480 1HB ALA 85 1HB ALA 85 -8.208 8.777 -15.083 481 2HB ALA 85 2HB ALA 85 -8.150 8.509 -13.341 482 3HB ALA 85 3HB ALA 85 -9.663 8.986 -14.109 483 H GLN 86 H GLN 86 -5.930 9.717 -13.301 484 HA GLN 86 HA GLN 86 -5.994 9.796 -10.523 485 1HB GLN 86 2HB GLN 86 -4.276 8.554 -11.633 486 2HB GLN 86 3HB GLN 86 -3.677 9.994 -12.445 487 1HG GLN 86 2HG GLN 86 -2.700 10.832 -10.508 488 2HG GLN 86 3HG GLN 86 -3.665 9.793 -9.461 489 1HE2 GLN 86 1HE2 GLN 86 -2.786 7.967 -8.766 490 2HE2 GLN 86 2HE2 GLN 86 -1.336 7.253 -9.375 491 H ALA 87 H ALA 87 -5.234 12.308 -12.846 492 HA ALA 87 HA ALA 87 -4.082 14.166 -11.067 493 1HB ALA 87 1HB ALA 87 -5.651 14.830 -13.551 494 2HB ALA 87 2HB ALA 87 -4.380 15.786 -12.788 495 3HB ALA 87 3HB ALA 87 -3.983 14.256 -13.569 496 H PHE 88 H PHE 88 -7.421 13.842 -12.262 497 HA PHE 88 HA PHE 88 -8.445 15.977 -10.701 498 1HB PHE 88 2HB PHE 88 -9.668 15.311 -12.647 499 2HB PHE 88 3HB PHE 88 -9.785 13.649 -12.080 500 HD1 PHE 88 HD1 PHE 88 -11.339 13.047 -10.302 501 HD2 PHE 88 HD2 PHE 88 -11.140 17.015 -11.829 502 HE1 PHE 88 HE1 PHE 88 -13.507 13.556 -9.254 503 HE2 PHE 88 HE2 PHE 88 -13.307 17.530 -10.784 504 HZ PHE 88 HZ PHE 88 -14.493 15.800 -9.493 505 H VAL 89 H VAL 89 -8.155 12.508 -10.185 506 HA VAL 89 HA VAL 89 -9.751 12.333 -7.868 507 HB VAL 89 HB VAL 89 -7.411 10.616 -8.705 508 1HG1 VAL 89 1HG1 VAL 89 -7.590 9.735 -6.661 509 2HG1 VAL 89 2HG1 VAL 89 -9.096 10.594 -6.333 510 3HG1 VAL 89 3HG1 VAL 89 -9.125 9.062 -7.208 511 1HG2 VAL 89 1HG2 VAL 89 -10.072 9.485 -8.947 512 2HG2 VAL 89 2HG2 VAL 89 -9.873 10.937 -9.927 513 3HG2 VAL 89 3HG2 VAL 89 -8.772 9.576 -10.135 514 H GLU 90 H GLU 90 -6.302 12.962 -8.333 515 HA GLU 90 HA GLU 90 -5.798 13.099 -5.493 516 1HB GLU 90 2HB GLU 90 -3.527 13.471 -6.056 517 2HB GLU 90 3HB GLU 90 -4.129 12.303 -7.224 518 1HG GLU 90 2HG GLU 90 -4.385 14.072 -8.878 519 2HG GLU 90 3HG GLU 90 -3.809 15.257 -7.707 520 H ALA 91 H ALA 91 -6.581 15.285 -8.070 521 HA ALA 91 HA ALA 91 -5.721 17.672 -6.751 522 1HB ALA 91 1HB ALA 91 -5.880 17.658 -9.147 523 2HB ALA 91 2HB ALA 91 -7.593 17.244 -9.074 524 3HB ALA 91 3HB ALA 91 -7.043 18.822 -8.511 525 H PHE 92 H PHE 92 -8.491 15.654 -6.541 526 HA PHE 92 HA PHE 92 -9.818 17.668 -4.850 527 1HB PHE 92 2HB PHE 92 -11.043 15.737 -6.817 528 2HB PHE 92 3HB PHE 92 -11.983 16.507 -5.544 529 HD1 PHE 92 HD1 PHE 92 -12.985 18.545 -5.948 530 HD2 PHE 92 HD2 PHE 92 -9.695 17.333 -8.362 531 HE1 PHE 92 HE1 PHE 92 -13.319 20.514 -7.385 532 HE2 PHE 92 HE2 PHE 92 -10.023 19.301 -9.802 533 HZ PHE 92 HZ PHE 92 -11.836 20.895 -9.314 534 H GLN 93 H GLN 93 -8.105 14.971 -4.700 535 HA GLN 93 HA GLN 93 -9.488 13.020 -3.361 536 1HB GLN 93 2HB GLN 93 -7.232 12.580 -3.882 537 2HB GLN 93 3HB GLN 93 -6.668 14.016 -3.038 538 1HG GLN 93 2HG GLN 93 -7.219 13.012 -0.903 539 2HG GLN 93 3HG GLN 93 -7.866 11.590 -1.720 540 1HE2 GLN 93 1HE2 GLN 93 -6.542 9.947 -2.055 541 2HE2 GLN 93 2HE2 GLN 93 -4.819 9.997 -1.936 542 HN2 GLY 94 H GLY 94 -8.401 16.123 -2.144 543 1HA GLY 94 2HA GLY 94 -9.917 15.590 0.327 544 2HA GLY 94 3HA GLY 94 -8.304 16.282 0.413 545 H TYR 95 H TYR 95 -11.387 16.859 -1.286 546 HA TYR 95 HA TYR 95 -11.169 19.688 -0.531 547 1HB TYR 95 2HB TYR 95 -10.388 19.581 -2.821 548 2HB TYR 95 3HB TYR 95 -11.796 18.637 -3.297 549 HD1 TYR 95 HD1 TYR 95 -10.489 21.956 -2.665 550 HD2 TYR 95 HD2 TYR 95 -14.039 19.713 -3.353 551 HE1 TYR 95 HE1 TYR 95 -11.688 24.033 -3.210 552 HE2 TYR 95 HE2 TYR 95 -15.248 21.784 -3.901 553 HH TYR 95 HH TYR 95 -14.347 24.707 -3.093 554 HA PRO 96 HA PRO 96 -15.343 19.050 0.758 555 1HB PRO 96 2HB PRO 96 -16.044 21.656 1.052 556 2HB PRO 96 3HB PRO 96 -14.996 20.809 2.195 557 1HG PRO 96 2HG PRO 96 -14.257 22.660 -0.038 558 2HG PRO 96 3HG PRO 96 -13.608 22.581 1.610 559 1HD PRO 96 2HD PRO 96 -12.319 21.508 -0.516 560 2HD PRO 96 3HD PRO 96 -12.220 20.809 1.114 561 H PHE 97 H PHE 97 -16.509 18.235 -0.933 562 HA PHE 97 HA PHE 97 -17.694 20.208 -2.765 563 1HB PHE 97 2HB PHE 97 -16.073 18.990 -4.065 564 2HB PHE 97 3HB PHE 97 -16.669 17.450 -3.455 565 HD1 PHE 97 HD1 PHE 97 -17.889 16.224 -4.946 566 HD2 PHE 97 HD2 PHE 97 -18.106 20.471 -5.118 567 HE1 PHE 97 HE1 PHE 97 -19.433 16.064 -6.855 568 HE2 PHE 97 HE2 PHE 97 -19.651 20.319 -7.026 569 HZ PHE 97 HZ PHE 97 -20.317 18.113 -7.897 570 H GLN 98 H GLN 98 -19.840 19.873 -3.340 571 HA GLN 98 HA GLN 98 -22.006 19.266 -2.997 572 1HB GLN 98 2HB GLN 98 -20.521 16.869 -3.429 573 2HB GLN 98 3HB GLN 98 -21.752 16.541 -2.217 574 1HG GLN 98 2HG GLN 98 -23.444 17.493 -3.765 575 2HG GLN 98 3HG GLN 98 -22.181 17.632 -4.987 576 1HE2 GLN 98 1HE2 GLN 98 -21.042 15.604 -5.535 577 2HE2 GLN 98 2HE2 GLN 98 -21.962 14.143 -5.577 578 HN2 GLY 99 H GLY 99 -20.259 20.069 -0.691 579 1HA GLY 99 2HA GLY 99 -21.701 20.511 1.375 580 2HA GLY 99 3HA GLY 99 -21.739 18.758 1.497 581 H ASN 100 H ASN 100 -19.346 17.832 1.247 582 HA ASN 100 HA ASN 100 -17.158 19.269 2.184 583 1HB ASN 100 2HB ASN 100 -17.892 19.678 4.305 584 2HB ASN 100 3HB ASN 100 -19.009 18.316 4.295 585 1HD2 ASN 100 1HD2 ASN 100 -15.498 18.774 4.008 586 2HD2 ASN 100 2HD2 ASN 100 -15.077 17.572 5.176 587 HA PRO 101 HA PRO 101 -16.304 14.558 2.824 588 1HB PRO 101 2HB PRO 101 -18.414 12.864 2.595 589 2HB PRO 101 3HB PRO 101 -17.939 13.606 4.128 590 1HG PRO 101 2HG PRO 101 -20.107 14.409 2.226 591 2HG PRO 101 3HG PRO 101 -20.147 14.323 3.997 592 1HD PRO 101 2HD PRO 101 -19.822 16.654 2.659 593 2HD PRO 101 3HD PRO 101 -19.085 16.353 4.245 594 H LEU 102 H LEU 102 -15.246 14.557 0.886 595 HA LEU 102 HA LEU 102 -16.765 13.564 -1.429 596 1HB LEU 102 2HB LEU 102 -16.369 15.842 -1.920 597 2HB LEU 102 3HB LEU 102 -14.710 15.754 -1.333 598 HG LEU 102 HG LEU 102 -14.220 14.232 -3.282 599 1HD1 LEU 102 1HD1 LEU 102 -16.007 14.858 -5.174 600 2HD1 LEU 102 2HD1 LEU 102 -17.073 14.815 -3.770 601 3HD1 LEU 102 3HD1 LEU 102 -16.112 13.397 -4.191 602 1HD2 LEU 102 1HD2 LEU 102 -14.824 16.443 -4.852 603 2HD2 LEU 102 2HD2 LEU 102 -13.330 16.154 -3.960 604 3HD2 LEU 102 3HD2 LEU 102 -14.629 17.093 -3.224 605 H VAL 103 H VAL 103 -16.025 11.674 -2.107 606 HA VAL 103 HA VAL 103 -13.192 11.014 -1.622 607 HB VAL 103 HB VAL 103 -14.810 9.659 -0.287 608 1HG1 VAL 103 1HG1 VAL 103 -16.515 8.507 -1.188 609 2HG1 VAL 103 2HG1 VAL 103 -16.322 9.619 -2.545 610 3HG1 VAL 103 3HG1 VAL 103 -15.574 8.022 -2.599 611 1HG2 VAL 103 1HG2 VAL 103 -13.650 7.660 -2.098 612 2HG2 VAL 103 2HG2 VAL 103 -12.521 8.888 -1.527 613 3HG2 VAL 103 3HG2 VAL 103 -13.410 7.900 -0.368 614 H ILE 104 H ILE 104 -11.989 10.309 -3.300 615 HA ILE 104 HA ILE 104 -13.332 9.596 -5.806 616 HB ILE 104 HB ILE 104 -11.303 10.931 -6.880 617 1HG1 ILE 104 2HG1 ILE 104 -10.706 11.591 -4.401 618 2HG1 ILE 104 3HG1 ILE 104 -10.533 12.764 -5.702 619 1HG2 ILE 104 1HG2 ILE 104 -13.484 11.381 -7.596 620 2HG2 ILE 104 2HG2 ILE 104 -13.981 11.962 -6.008 621 3HG2 ILE 104 3HG2 ILE 104 -12.892 12.932 -7.000 622 1HD1 ILE 104 1HD1 ILE 104 -13.110 12.645 -4.230 623 2HD1 ILE 104 2HD1 ILE 104 -11.714 13.390 -3.452 624 3HD1 ILE 104 3HD1 ILE 104 -12.302 14.015 -4.992 625 H THR 105 H THR 105 -12.526 7.789 -6.638 626 HA THR 105 HA THR 105 -9.700 7.147 -6.289 627 HB THR 105 HB THR 105 -10.192 4.837 -5.580 628 HG1 THR 105 HG1 THR 105 -12.203 4.144 -5.387 629 1HG2 THR 105 1HG2 THR 105 -10.538 5.307 -3.295 630 2HG2 THR 105 2HG2 THR 105 -11.519 6.729 -3.653 631 3HG2 THR 105 3HG2 THR 105 -9.781 6.758 -3.952 632 H PHE 106 H PHE 106 -9.213 5.015 -7.512 633 HA PHE 106 HA PHE 106 -10.272 5.346 -10.186 634 1HB PHE 106 2HB PHE 106 -8.186 3.391 -9.198 635 2HB PHE 106 3HB PHE 106 -8.514 3.822 -10.874 636 HD1 PHE 106 HD1 PHE 106 -7.858 6.010 -11.745 637 HD2 PHE 106 HD2 PHE 106 -6.899 4.815 -7.774 638 HE1 PHE 106 HE1 PHE 106 -6.198 7.821 -11.604 639 HE2 PHE 106 HE2 PHE 106 -5.239 6.624 -7.626 640 HZ PHE 106 HZ PHE 106 -4.887 8.131 -9.543 641 H SER 107 H SER 107 -10.186 2.881 -11.288 642 HA SER 107 HA SER 107 -11.779 1.033 -9.726 643 1HB SER 107 2HB SER 107 -13.008 2.903 -11.547 644 2HB SER 107 3HB SER 107 -13.255 1.252 -12.115 645 HG SER 107 HG SER 107 -14.151 0.743 -10.109 646 H GLU 108 H GLU 108 -12.606 -0.746 -11.477 647 HA GLU 108 HA GLU 108 -10.218 -1.433 -13.062 648 1HB GLU 108 2HB GLU 108 -10.728 -2.833 -10.982 649 2HB GLU 108 3HB GLU 108 -12.120 -3.440 -11.868 650 1HG GLU 108 2HG GLU 108 -10.730 -4.408 -13.541 651 2HG GLU 108 3HG GLU 108 -9.297 -3.622 -12.883 652 H THR 109 H THR 109 -10.551 -2.604 -15.016 653 HA THR 109 HA THR 109 -13.262 -2.287 -16.133 654 HB THR 109 HB THR 109 -12.220 -1.956 -18.342 655 HG1 THR 109 HG1 THR 109 -10.100 -2.096 -18.604 656 1HG2 THR 109 1HG2 THR 109 -12.474 -0.114 -16.334 657 2HG2 THR 109 2HG2 THR 109 -12.093 0.265 -18.014 658 3HG2 THR 109 3HG2 THR 109 -10.797 0.109 -16.829 659 HA PRO 110 HA PRO 110 -12.116 -6.788 -16.257 660 1HB PRO 110 2HB PRO 110 -14.531 -7.667 -15.381 661 2HB PRO 110 3HB PRO 110 -13.223 -7.201 -14.286 662 1HG PRO 110 2HG PRO 110 -15.620 -5.629 -15.151 663 2HG PRO 110 3HG PRO 110 -14.905 -5.782 -13.535 664 1HD PRO 110 2HD PRO 110 -14.472 -3.631 -15.123 665 2HD PRO 110 3HD PRO 110 -13.254 -4.237 -13.982 666 H GLN 111 H GLN 111 -13.664 -8.591 -17.218 667 HA GLN 111 HA GLN 111 -14.730 -9.410 -19.053 668 1HB GLN 111 2HB GLN 111 -16.329 -7.349 -18.144 669 2HB GLN 111 3HB GLN 111 -16.109 -6.959 -19.844 670 1HG GLN 111 2HG GLN 111 -17.953 -8.269 -19.994 671 2HG GLN 111 3HG GLN 111 -16.706 -9.506 -20.150 672 1HE2 GLN 111 1HE2 GLN 111 -19.348 -9.975 -19.299 673 2HE2 GLN 111 2HE2 GLN 111 -19.295 -10.529 -17.664 674 H SER 112 H SER 112 -12.180 -7.896 -19.250 675 HA SER 112 HA SER 112 -12.314 -6.751 -21.928 676 1HB SER 112 2HB SER 112 -10.996 -5.669 -20.061 677 2HB SER 112 3HB SER 112 -9.877 -7.028 -20.161 678 HG SER 112 HG SER 112 -8.957 -5.868 -21.651 679 H GLN 113 H GLN 113 -11.006 -9.532 -20.231 680 HA GLN 113 HA GLN 113 -9.307 -10.553 -22.175 681 1HB GLN 113 2HB GLN 113 -9.671 -12.744 -21.118 682 2HB GLN 113 3HB GLN 113 -9.421 -11.477 -19.924 683 1HG GLN 113 2HG GLN 113 -11.325 -12.000 -18.939 684 2HG GLN 113 3HG GLN 113 -12.207 -11.685 -20.432 685 1HE2 GLN 113 1HE2 GLN 113 -13.655 -13.356 -19.983 686 2HE2 GLN 113 2HE2 GLN 113 -13.216 -15.016 -20.167 687 H VAL 114 H VAL 114 -12.775 -10.505 -22.042 688 HA VAL 114 HA VAL 114 -13.479 -12.577 -23.728 689 HB VAL 114 HB VAL 114 -15.490 -11.335 -24.275 690 1HG1 VAL 114 1HG1 VAL 114 -16.259 -11.769 -22.237 691 2HG1 VAL 114 2HG1 VAL 114 -14.591 -11.924 -21.682 692 3HG1 VAL 114 3HG1 VAL 114 -15.417 -10.369 -21.574 693 1HG2 VAL 114 1HG2 VAL 114 -14.937 -9.170 -24.792 694 2HG2 VAL 114 2HG2 VAL 114 -15.584 -8.952 -23.166 695 3HG2 VAL 114 3HG2 VAL 114 -13.840 -9.006 -23.421 696 H ALA 115 H ALA 115 -11.994 -9.520 -24.496 697 HA ALA 115 HA ALA 115 -12.554 -9.347 -27.224 698 1HB ALA 115 1HB ALA 115 -9.861 -8.479 -26.594 699 2HB ALA 115 2HB ALA 115 -11.260 -7.538 -27.114 700 3HB ALA 115 3HB ALA 115 -11.036 -7.914 -25.406 701 H GLU 116 H GLU 116 -10.245 -11.313 -25.484 702 HA GLU 116 HA GLU 116 -8.584 -12.043 -27.628 703 1HB GLU 116 2HB GLU 116 -8.309 -12.460 -25.083 704 2HB GLU 116 3HB GLU 116 -9.246 -13.918 -25.377 705 1HG GLU 116 2HG GLU 116 -7.593 -14.872 -26.691 706 2HG GLU 116 3HG GLU 116 -6.814 -13.322 -27.008 707 H ASP 117 H ASP 117 -11.706 -13.219 -26.579 708 HA ASP 117 HA ASP 117 -11.659 -15.237 -28.720 709 1HB ASP 117 2HB ASP 117 -13.354 -15.032 -26.226 710 2HB ASP 117 3HB ASP 117 -13.642 -16.208 -27.505 Start of MODEL 18 1 H THR 22 H THR 22 8.455 3.382 -4.512 2 HA THR 22 HA THR 22 7.373 4.154 -7.034 3 HB THR 22 HB THR 22 8.581 1.935 -7.749 4 HG1 THR 22 HG1 THR 22 10.094 1.236 -6.258 5 1HG2 THR 22 1HG2 THR 22 9.320 4.566 -7.633 6 2HG2 THR 22 2HG2 THR 22 10.271 3.280 -8.377 7 3HG2 THR 22 3HG2 THR 22 10.610 3.783 -6.721 8 HA PRO 23 HA PRO 23 3.970 1.170 -5.898 9 1HB PRO 23 2HB PRO 23 1.940 2.818 -6.627 10 2HB PRO 23 3HB PRO 23 2.657 2.833 -5.011 11 1HG PRO 23 2HG PRO 23 3.171 4.656 -7.330 12 2HG PRO 23 3HG PRO 23 2.968 5.057 -5.615 13 1HD PRO 23 2HD PRO 23 5.399 4.904 -6.797 14 2HD PRO 23 3HD PRO 23 5.138 4.480 -5.093 15 HA PRO 24 HA PRO 24 4.161 0.191 -10.303 16 1HB PRO 24 2HB PRO 24 3.394 -2.394 -9.989 17 2HB PRO 24 3HB PRO 24 5.047 -1.841 -9.698 18 1HG PRO 24 2HG PRO 24 2.851 -2.361 -7.732 19 2HG PRO 24 3HG PRO 24 4.568 -2.791 -7.630 20 1HD PRO 24 2HD PRO 24 3.523 -0.650 -6.343 21 2HD PRO 24 3HD PRO 24 5.187 -0.674 -6.961 22 H HIS 25 H HIS 25 2.516 -1.136 -11.700 23 HA HIS 25 HA HIS 25 -0.202 -0.298 -10.928 24 1HB HIS 25 2HB HIS 25 -0.647 -0.085 -13.382 25 2HB HIS 25 3HB HIS 25 0.540 1.062 -12.769 26 HD1 HIS 25 HD1 HIS 25 0.602 -2.380 -14.408 27 HD2 HIS 25 HD2 HIS 25 2.729 1.189 -14.340 28 HE1 HIS 25 HE1 HIS 25 2.454 -2.669 -16.084 29 H THR 26 H THR 26 -1.952 -1.578 -11.945 30 HA THR 26 HA THR 26 -1.156 -4.400 -12.258 31 HB THR 26 HB THR 26 -3.434 -4.961 -11.331 32 HG1 THR 26 HG1 THR 26 -4.675 -3.389 -10.540 33 1HG2 THR 26 1HG2 THR 26 -1.210 -3.738 -9.779 34 2HG2 THR 26 2HG2 THR 26 -1.825 -5.391 -9.762 35 3HG2 THR 26 3HG2 THR 26 -2.706 -4.113 -8.925 36 H GLU 27 H GLU 27 -3.997 -2.318 -12.859 37 HA GLU 27 HA GLU 27 -4.036 -3.264 -15.630 38 1HB GLU 27 2HB GLU 27 -6.601 -3.403 -15.366 39 2HB GLU 27 3HB GLU 27 -5.624 -4.735 -14.763 40 1HG GLU 27 2HG GLU 27 -6.027 -4.222 -12.566 41 2HG GLU 27 3HG GLU 27 -6.351 -2.524 -12.909 42 HA PRO 28 HA PRO 28 -4.970 0.894 -16.668 43 1HB PRO 28 2HB PRO 28 -6.578 0.580 -18.833 44 2HB PRO 28 3HB PRO 28 -4.841 0.260 -18.873 45 1HG PRO 28 2HG PRO 28 -7.116 -1.665 -18.589 46 2HG PRO 28 3HG PRO 28 -5.650 -1.804 -19.577 47 1HD PRO 28 2HD PRO 28 -5.924 -3.057 -17.193 48 2HD PRO 28 3HD PRO 28 -4.357 -2.473 -17.790 49 H SER 29 H SER 29 -6.596 2.512 -16.664 50 HA SER 29 HA SER 29 -9.350 1.832 -16.204 51 1HB SER 29 2HB SER 29 -8.395 3.444 -13.944 52 2HB SER 29 3HB SER 29 -9.517 2.083 -13.965 53 HG SER 29 HG SER 29 -6.686 1.908 -14.100 54 H GLN 30 H GLN 30 -10.053 3.225 -17.724 55 HA GLN 30 HA GLN 30 -9.073 5.981 -17.702 56 1HB GLN 30 2HB GLN 30 -10.972 4.769 -19.703 57 2HB GLN 30 3HB GLN 30 -9.976 6.206 -19.887 58 1HG GLN 30 2HG GLN 30 -7.975 4.651 -19.666 59 2HG GLN 30 3HG GLN 30 -9.123 3.333 -19.899 60 1HE2 GLN 30 1HE2 GLN 30 -7.061 3.687 -21.645 61 2HE2 GLN 30 2HE2 GLN 30 -7.666 4.230 -23.169 62 H VAL 31 H VAL 31 -11.055 4.681 -15.783 63 HA VAL 31 HA VAL 31 -13.022 6.849 -15.920 64 HB VAL 31 HB VAL 31 -14.880 5.407 -15.432 65 1HG1 VAL 31 1HG1 VAL 31 -13.680 3.841 -17.632 66 2HG1 VAL 31 2HG1 VAL 31 -15.222 4.695 -17.554 67 3HG1 VAL 31 3HG1 VAL 31 -13.730 5.591 -17.845 68 1HG2 VAL 31 1HG2 VAL 31 -14.303 2.830 -15.698 69 2HG2 VAL 31 2HG2 VAL 31 -12.751 3.372 -15.058 70 3HG2 VAL 31 3HG2 VAL 31 -14.230 3.648 -14.137 71 H VAL 32 H VAL 32 -14.193 7.141 -13.855 72 HA VAL 32 HA VAL 32 -12.700 6.132 -11.531 73 HB VAL 32 HB VAL 32 -12.618 8.270 -10.491 74 1HG1 VAL 32 1HG1 VAL 32 -11.278 9.594 -12.106 75 2HG1 VAL 32 2HG1 VAL 32 -10.811 7.893 -12.035 76 3HG1 VAL 32 3HG1 VAL 32 -11.786 8.487 -13.381 77 1HG2 VAL 32 1HG2 VAL 32 -14.645 8.947 -12.503 78 2HG2 VAL 32 2HG2 VAL 32 -14.424 9.558 -10.864 79 3HG2 VAL 32 3HG2 VAL 32 -13.462 10.217 -12.187 80 H LEU 33 H LEU 33 -13.908 5.645 -9.761 81 HA LEU 33 HA LEU 33 -16.817 5.991 -10.033 82 1HB LEU 33 2HB LEU 33 -16.566 3.730 -9.901 83 2HB LEU 33 3HB LEU 33 -15.097 3.841 -8.933 84 HG LEU 33 HG LEU 33 -16.424 4.320 -6.947 85 1HD1 LEU 33 1HD1 LEU 33 -18.512 5.057 -7.048 86 2HD1 LEU 33 2HD1 LEU 33 -19.021 3.615 -7.926 87 3HD1 LEU 33 3HD1 LEU 33 -18.409 5.014 -8.808 88 1HD2 LEU 33 1HD2 LEU 33 -17.124 1.877 -8.545 89 2HD2 LEU 33 2HD2 LEU 33 -17.720 2.116 -6.902 90 3HD2 LEU 33 3HD2 LEU 33 -15.984 2.036 -7.208 91 H ILE 34 H ILE 34 -17.724 7.443 -8.749 92 HA ILE 34 HA ILE 34 -16.354 8.175 -6.251 93 HB ILE 34 HB ILE 34 -17.625 10.274 -6.331 94 1HG1 ILE 34 2HG1 ILE 34 -19.384 8.966 -7.925 95 2HG1 ILE 34 3HG1 ILE 34 -19.286 10.720 -7.811 96 1HG2 ILE 34 1HG2 ILE 34 -15.446 10.314 -7.296 97 2HG2 ILE 34 2HG2 ILE 34 -16.033 9.592 -8.793 98 3HG2 ILE 34 3HG2 ILE 34 -16.512 11.233 -8.358 99 1HD1 ILE 34 1HD1 ILE 34 -19.390 9.812 -10.129 100 2HD1 ILE 34 2HD1 ILE 34 -18.001 10.850 -9.805 101 3HD1 ILE 34 3HD1 ILE 34 -17.801 9.099 -9.859 102 H THR 35 H THR 35 -17.535 8.407 -4.331 103 HA THR 35 HA THR 35 -20.322 7.556 -4.302 104 HB THR 35 HB THR 35 -20.007 5.817 -2.662 105 HG1 THR 35 HG1 THR 35 -17.726 5.204 -2.212 106 1HG2 THR 35 1HG2 THR 35 -17.964 5.303 -4.817 107 2HG2 THR 35 2HG2 THR 35 -19.701 5.308 -5.127 108 3HG2 THR 35 3HG2 THR 35 -19.008 4.137 -4.005 109 H ASN 36 H ASN 36 -20.850 7.336 -1.707 110 HA ASN 36 HA ASN 36 -21.207 8.482 0.226 111 1HB ASN 36 2HB ASN 36 -18.514 8.426 0.005 112 2HB ASN 36 3HB ASN 36 -18.782 10.167 -0.022 113 1HD2 ASN 36 1HD2 ASN 36 -20.934 10.407 1.657 114 2HD2 ASN 36 2HD2 ASN 36 -20.472 9.946 3.257 115 H ILE 37 H ILE 37 -21.965 9.548 -2.452 116 HA ILE 37 HA ILE 37 -21.949 12.433 -2.001 117 HB ILE 37 HB ILE 37 -23.085 12.533 -4.231 118 1HG1 ILE 37 2HG1 ILE 37 -22.398 9.591 -4.370 119 2HG1 ILE 37 3HG1 ILE 37 -24.023 10.207 -4.090 120 1HG2 ILE 37 1HG2 ILE 37 -20.430 11.109 -4.104 121 2HG2 ILE 37 2HG2 ILE 37 -21.064 11.957 -5.514 122 3HG2 ILE 37 3HG2 ILE 37 -20.691 12.852 -4.041 123 1HD1 ILE 37 1HD1 ILE 37 -23.409 11.550 -6.326 124 2HD1 ILE 37 2HD1 ILE 37 -22.437 10.098 -6.564 125 3HD1 ILE 37 3HD1 ILE 37 -24.177 9.963 -6.317 126 H ASN 38 H ASN 38 -23.814 13.671 -1.782 127 HA ASN 38 HA ASN 38 -26.038 12.288 -0.551 128 1HB ASN 38 2HB ASN 38 -24.865 14.853 -0.311 129 2HB ASN 38 3HB ASN 38 -26.517 15.101 -0.870 130 1HD2 ASN 38 1HD2 ASN 38 -24.571 13.522 1.601 131 2HD2 ASN 38 2HD2 ASN 38 -25.788 13.538 2.827 132 HA PRO 39 HA PRO 39 -28.302 12.133 -4.384 133 1HB PRO 39 2HB PRO 39 -30.549 11.028 -3.333 134 2HB PRO 39 3HB PRO 39 -29.083 10.097 -3.660 135 1HG PRO 39 2HG PRO 39 -30.062 11.244 -1.074 136 2HG PRO 39 3HG PRO 39 -29.350 9.652 -1.393 137 1HD PRO 39 2HD PRO 39 -27.929 11.695 -0.326 138 2HD PRO 39 3HD PRO 39 -27.196 10.473 -1.385 139 H GLU 40 H GLU 40 -28.887 14.042 -1.663 140 HA GLU 40 HA GLU 40 -31.428 15.059 -1.996 141 1HB GLU 40 2HB GLU 40 -28.931 15.985 -0.776 142 2HB GLU 40 3HB GLU 40 -29.978 17.294 -1.305 143 1HG GLU 40 2HG GLU 40 -31.819 15.917 -0.055 144 2HG GLU 40 3HG GLU 40 -30.432 15.231 0.789 145 H VAL 41 H VAL 41 -28.582 15.604 -3.920 146 HA VAL 41 HA VAL 41 -29.862 17.770 -5.405 147 HB VAL 41 HB VAL 41 -27.521 18.093 -4.848 148 1HG1 VAL 41 1HG1 VAL 41 -26.808 15.787 -4.686 149 2HG1 VAL 41 2HG1 VAL 41 -27.039 15.565 -6.421 150 3HG1 VAL 41 3HG1 VAL 41 -25.780 16.649 -5.829 151 1HG2 VAL 41 1HG2 VAL 41 -26.624 18.459 -7.153 152 2HG2 VAL 41 2HG2 VAL 41 -28.041 17.616 -7.779 153 3HG2 VAL 41 3HG2 VAL 41 -28.236 19.123 -6.884 154 HA PRO 42 HA PRO 42 -31.344 14.999 -8.517 155 1HB PRO 42 2HB PRO 42 -31.912 16.863 -10.407 156 2HB PRO 42 3HB PRO 42 -32.915 16.612 -8.974 157 1HG PRO 42 2HG PRO 42 -30.822 18.692 -9.481 158 2HG PRO 42 3HG PRO 42 -32.420 18.871 -8.732 159 1HD PRO 42 2HD PRO 42 -30.139 18.716 -7.281 160 2HD PRO 42 3HD PRO 42 -31.690 18.084 -6.692 161 H LYS 43 H LYS 43 -30.490 13.911 -10.214 162 HA LYS 43 HA LYS 43 -27.840 14.039 -10.889 163 1HB LYS 43 2HB LYS 43 -29.040 12.101 -11.513 164 2HB LYS 43 3HB LYS 43 -30.215 13.027 -12.438 165 1HG LYS 43 2HG LYS 43 -28.566 13.511 -14.129 166 2HG LYS 43 3HG LYS 43 -27.313 12.711 -13.177 167 1HD LYS 43 2HD LYS 43 -28.109 10.610 -13.646 168 2HD LYS 43 3HD LYS 43 -29.763 11.174 -13.890 169 1HE LYS 43 2HE LYS 43 -28.589 12.438 -15.925 170 2HE LYS 43 3HE LYS 43 -27.483 11.073 -15.781 171 1HZ LYS 43 1HZ LYS 43 -30.336 11.083 -16.487 172 2HZ LYS 43 2HZ LYS 43 -29.673 9.712 -15.752 173 3HZ LYS 43 3HZ LYS 43 -29.051 10.265 -17.225 174 H GLU 44 H GLU 44 -30.501 15.859 -12.264 175 HA GLU 44 HA GLU 44 -29.404 16.822 -14.595 176 1HB GLU 44 2HB GLU 44 -31.420 17.792 -12.672 177 2HB GLU 44 3HB GLU 44 -30.708 19.032 -13.695 178 1HG GLU 44 2HG GLU 44 -31.286 17.588 -15.667 179 2HG GLU 44 3HG GLU 44 -32.204 16.573 -14.556 180 H LYS 45 H LYS 45 -29.180 18.371 -11.390 181 HA LYS 45 HA LYS 45 -27.138 20.187 -12.341 182 1HB LYS 45 2HB LYS 45 -28.518 19.797 -9.694 183 2HB LYS 45 3HB LYS 45 -27.148 20.886 -9.869 184 1HG LYS 45 2HG LYS 45 -28.468 22.483 -10.642 185 2HG LYS 45 3HG LYS 45 -29.050 21.427 -11.932 186 1HD LYS 45 2HD LYS 45 -30.907 22.214 -10.575 187 2HD LYS 45 3HD LYS 45 -30.702 20.471 -10.385 188 1HE LYS 45 2HE LYS 45 -30.385 20.685 -8.194 189 2HE LYS 45 3HE LYS 45 -29.126 21.894 -8.441 190 1HZ LYS 45 1HZ LYS 45 -30.637 23.616 -8.311 191 2HZ LYS 45 2HZ LYS 45 -31.238 22.540 -7.153 192 3HZ LYS 45 3HZ LYS 45 -31.968 22.638 -8.676 193 H LEU 46 H LEU 46 -27.369 17.441 -10.119 194 HA LEU 46 HA LEU 46 -24.822 17.457 -9.052 195 1HB LEU 46 2HB LEU 46 -25.896 15.781 -8.043 196 2HB LEU 46 3HB LEU 46 -26.948 15.508 -9.430 197 HG LEU 46 HG LEU 46 -25.127 14.176 -10.476 198 1HD1 LEU 46 1HD1 LEU 46 -23.716 15.095 -8.070 199 2HD1 LEU 46 2HD1 LEU 46 -23.087 14.612 -9.644 200 3HD1 LEU 46 3HD1 LEU 46 -23.515 13.385 -8.452 201 1HD2 LEU 46 1HD2 LEU 46 -26.466 13.440 -7.925 202 2HD2 LEU 46 2HD2 LEU 46 -25.265 12.334 -8.592 203 3HD2 LEU 46 3HD2 LEU 46 -26.679 12.781 -9.547 204 H GLN 47 H GLN 47 -25.916 15.879 -12.047 205 HA GLN 47 HA GLN 47 -23.402 14.839 -12.775 206 1HB GLN 47 2HB GLN 47 -25.535 14.057 -13.736 207 2HB GLN 47 3HB GLN 47 -25.720 15.599 -14.562 208 1HG GLN 47 2HG GLN 47 -23.296 14.894 -15.464 209 2HG GLN 47 3HG GLN 47 -23.997 13.298 -15.201 210 1HE2 GLN 47 1HE2 GLN 47 -23.277 14.732 -17.676 211 2HE2 GLN 47 2HE2 GLN 47 -24.715 14.749 -18.633 212 H ALA 48 H ALA 48 -25.083 17.809 -13.776 213 HA ALA 48 HA ALA 48 -23.193 18.778 -15.564 214 1HB ALA 48 1HB ALA 48 -25.555 19.663 -14.922 215 2HB ALA 48 2HB ALA 48 -24.665 20.659 -13.770 216 3HB ALA 48 3HB ALA 48 -24.323 20.788 -15.495 217 H LEU 49 H LEU 49 -23.261 18.916 -12.056 218 HA LEU 49 HA LEU 49 -21.119 20.780 -11.793 219 1HB LEU 49 2HB LEU 49 -22.910 19.370 -10.076 220 2HB LEU 49 3HB LEU 49 -21.262 19.134 -9.497 221 HG LEU 49 HG LEU 49 -22.191 20.996 -8.337 222 1HD1 LEU 49 1HD1 LEU 49 -19.854 21.116 -9.748 223 2HD1 LEU 49 2HD1 LEU 49 -20.366 22.272 -8.519 224 3HD1 LEU 49 3HD1 LEU 49 -20.657 22.612 -10.224 225 1HD2 LEU 49 1HD2 LEU 49 -23.858 22.123 -9.283 226 2HD2 LEU 49 2HD2 LEU 49 -23.428 21.536 -10.890 227 3HD2 LEU 49 3HD2 LEU 49 -22.646 22.977 -10.238 228 H LEU 50 H LEU 50 -21.334 17.243 -11.496 229 HA LEU 50 HA LEU 50 -18.692 16.710 -10.845 230 1HB LEU 50 2HB LEU 50 -20.683 15.126 -12.449 231 2HB LEU 50 3HB LEU 50 -19.100 14.496 -11.996 232 HG LEU 50 HG LEU 50 -21.279 15.329 -10.080 233 1HD1 LEU 50 1HD1 LEU 50 -20.246 12.554 -10.579 234 2HD1 LEU 50 2HD1 LEU 50 -21.622 13.220 -11.458 235 3HD1 LEU 50 3HD1 LEU 50 -21.694 13.050 -9.704 236 1HD2 LEU 50 1HD2 LEU 50 -19.771 14.154 -8.432 237 2HD2 LEU 50 2HD2 LEU 50 -19.198 15.715 -9.021 238 3HD2 LEU 50 3HD2 LEU 50 -18.512 14.222 -9.665 239 H TYR 51 H TYR 51 -20.109 17.569 -13.907 240 HA TYR 51 HA TYR 51 -17.896 16.765 -15.521 241 1HB TYR 51 2HB TYR 51 -20.292 17.135 -16.300 242 2HB TYR 51 3HB TYR 51 -19.949 18.860 -16.232 243 HD1 TYR 51 HD1 TYR 51 -20.015 16.067 -18.324 244 HD2 TYR 51 HD2 TYR 51 -17.715 19.555 -17.520 245 HE1 TYR 51 HE1 TYR 51 -19.072 15.961 -20.593 246 HE2 TYR 51 HE2 TYR 51 -16.767 19.459 -19.787 247 HH TYR 51 HH TYR 51 -17.219 18.538 -21.935 248 H ALA 52 H ALA 52 -18.970 19.855 -14.152 249 HA ALA 52 HA ALA 52 -17.121 21.564 -15.278 250 1HB ALA 52 1HB ALA 52 -18.970 21.653 -13.128 251 2HB ALA 52 2HB ALA 52 -17.443 22.337 -12.567 252 3HB ALA 52 3HB ALA 52 -18.230 22.996 -14.001 253 H LEU 53 H LEU 53 -16.789 19.824 -12.181 254 HA LEU 53 HA LEU 53 -14.139 20.640 -11.689 255 1HB LEU 53 2HB LEU 53 -15.448 18.099 -10.740 256 2HB LEU 53 3HB LEU 53 -14.088 18.938 -9.997 257 HG LEU 53 HG LEU 53 -16.871 20.084 -10.184 258 1HD1 LEU 53 1HD1 LEU 53 -16.703 19.574 -7.622 259 2HD1 LEU 53 2HD1 LEU 53 -15.589 18.316 -8.157 260 3HD1 LEU 53 3HD1 LEU 53 -17.249 18.333 -8.751 261 1HD2 LEU 53 1HD2 LEU 53 -14.287 21.089 -9.320 262 2HD2 LEU 53 2HD2 LEU 53 -15.512 21.204 -8.056 263 3HD2 LEU 53 3HD2 LEU 53 -15.793 21.954 -9.628 264 H ALA 54 H ALA 54 -15.488 17.840 -13.356 265 HA ALA 54 HA ALA 54 -13.131 16.362 -13.670 266 1HB ALA 54 1HB ALA 54 -15.338 15.431 -14.113 267 2HB ALA 54 2HB ALA 54 -15.520 16.497 -15.507 268 3HB ALA 54 3HB ALA 54 -14.283 15.240 -15.514 269 H SER 55 H SER 55 -14.673 18.633 -15.949 270 HA SER 55 HA SER 55 -12.706 18.537 -17.923 271 1HB SER 55 2HB SER 55 -14.831 19.551 -18.410 272 2HB SER 55 3HB SER 55 -14.603 20.762 -17.148 273 HG SER 55 HG SER 55 -13.638 21.929 -18.587 274 H SER 56 H SER 56 -12.875 20.379 -14.949 275 HA SER 56 HA SER 56 -10.876 22.264 -15.441 276 1HB SER 56 2HB SER 56 -11.822 22.824 -13.461 277 2HB SER 56 3HB SER 56 -12.219 21.151 -13.071 278 HG SER 56 HG SER 56 -10.681 21.638 -11.630 279 H GLN 57 H GLN 57 -10.667 18.876 -14.870 280 HA GLN 57 HA GLN 57 -7.754 19.078 -14.501 281 1HB GLN 57 2HB GLN 57 -9.635 16.801 -13.856 282 2HB GLN 57 3HB GLN 57 -7.888 16.746 -13.660 283 1HG GLN 57 2HG GLN 57 -9.524 18.849 -12.300 284 2HG GLN 57 3HG GLN 57 -9.351 17.236 -11.609 285 1HE2 GLN 57 1HE2 GLN 57 -6.813 16.574 -12.044 286 2HE2 GLN 57 2HE2 GLN 57 -5.733 17.683 -11.277 287 HN2 GLY 58 H GLY 58 -9.931 16.584 -15.827 288 1HA GLY 58 2HA GLY 58 -8.263 16.582 -18.265 289 2HA GLY 58 3HA GLY 58 -8.753 15.086 -17.482 290 H ASP 59 H ASP 59 -9.338 15.393 -20.098 291 HA ASP 59 HA ASP 59 -11.888 16.562 -20.579 292 1HB ASP 59 2HB ASP 59 -9.920 14.992 -22.095 293 2HB ASP 59 3HB ASP 59 -11.591 14.706 -22.573 294 H ILE 60 H ILE 60 -13.900 15.606 -20.770 295 HA ILE 60 HA ILE 60 -14.155 12.993 -19.445 296 HB ILE 60 HB ILE 60 -16.265 15.126 -19.791 297 1HG1 ILE 60 2HG1 ILE 60 -15.831 14.967 -17.122 298 2HG1 ILE 60 3HG1 ILE 60 -14.209 14.638 -17.719 299 1HG2 ILE 60 1HG2 ILE 60 -16.438 12.370 -19.123 300 2HG2 ILE 60 2HG2 ILE 60 -16.832 13.315 -17.688 301 3HG2 ILE 60 3HG2 ILE 60 -17.727 13.572 -19.186 302 1HD1 ILE 60 1HD1 ILE 60 -13.893 16.805 -17.983 303 2HD1 ILE 60 2HD1 ILE 60 -15.205 16.850 -19.161 304 3HD1 ILE 60 3HD1 ILE 60 -15.543 17.127 -17.453 305 H LEU 61 H LEU 61 -15.096 11.310 -20.455 306 HA LEU 61 HA LEU 61 -15.922 11.714 -23.239 307 1HB LEU 61 2HB LEU 61 -15.502 9.041 -21.965 308 2HB LEU 61 3HB LEU 61 -15.363 9.498 -23.661 309 HG LEU 61 HG LEU 61 -13.408 10.094 -21.445 310 1HD1 LEU 61 1HD1 LEU 61 -11.967 8.595 -22.490 311 2HD1 LEU 61 2HD1 LEU 61 -12.885 8.611 -23.995 312 3HD1 LEU 61 3HD1 LEU 61 -13.534 7.790 -22.575 313 1HD2 LEU 61 1HD2 LEU 61 -13.050 11.973 -22.648 314 2HD2 LEU 61 2HD2 LEU 61 -13.786 11.313 -24.109 315 3HD2 LEU 61 3HD2 LEU 61 -12.134 10.869 -23.674 316 H ASP 62 H ASP 62 -17.091 10.758 -20.124 317 HA ASP 62 HA ASP 62 -19.784 11.050 -20.788 318 1HB ASP 62 2HB ASP 62 -19.780 9.086 -22.079 319 2HB ASP 62 3HB ASP 62 -18.734 8.236 -20.945 320 H ILE 63 H ILE 63 -20.733 11.554 -18.933 321 HA ILE 63 HA ILE 63 -19.551 10.547 -16.437 322 HB ILE 63 HB ILE 63 -21.373 12.923 -16.839 323 1HG1 ILE 63 2HG1 ILE 63 -18.385 12.771 -16.387 324 2HG1 ILE 63 3HG1 ILE 63 -19.191 13.304 -17.859 325 1HG2 ILE 63 1HG2 ILE 63 -20.859 13.482 -14.543 326 2HG2 ILE 63 2HG2 ILE 63 -21.546 11.860 -14.623 327 3HG2 ILE 63 3HG2 ILE 63 -19.809 12.072 -14.406 328 1HD1 ILE 63 1HD1 ILE 63 -18.472 15.244 -16.733 329 2HD1 ILE 63 2HD1 ILE 63 -20.216 15.146 -16.485 330 3HD1 ILE 63 3HD1 ILE 63 -19.113 14.676 -15.191 331 H VAL 64 H VAL 64 -20.578 8.845 -15.627 332 HA VAL 64 HA VAL 64 -23.460 8.551 -16.052 333 HB VAL 64 HB VAL 64 -21.501 6.560 -14.899 334 1HG1 VAL 64 1HG1 VAL 64 -23.461 5.709 -14.147 335 2HG1 VAL 64 2HG1 VAL 64 -24.421 6.547 -15.368 336 3HG1 VAL 64 3HG1 VAL 64 -23.542 5.078 -15.792 337 1HG2 VAL 64 1HG2 VAL 64 -22.462 7.060 -17.690 338 2HG2 VAL 64 2HG2 VAL 64 -20.821 6.776 -17.110 339 3HG2 VAL 64 3HG2 VAL 64 -21.974 5.443 -17.182 340 H VAL 65 H VAL 65 -24.915 8.252 -14.362 341 HA VAL 65 HA VAL 65 -23.952 8.544 -11.623 342 HB VAL 65 HB VAL 65 -26.066 10.392 -12.734 343 1HG1 VAL 65 1HG1 VAL 65 -25.551 9.564 -10.125 344 2HG1 VAL 65 2HG1 VAL 65 -24.823 11.167 -10.248 345 3HG1 VAL 65 3HG1 VAL 65 -26.530 10.941 -10.629 346 1HG2 VAL 65 1HG2 VAL 65 -23.154 10.875 -12.137 347 2HG2 VAL 65 2HG2 VAL 65 -23.991 11.085 -13.675 348 3HG2 VAL 65 3HG2 VAL 65 -24.337 12.169 -12.328 349 H ASP 66 H ASP 66 -25.111 7.371 -10.217 350 HA ASP 66 HA ASP 66 -27.067 5.559 -11.105 351 1HB ASP 66 2HB ASP 66 -27.283 4.890 -8.806 352 2HB ASP 66 3HB ASP 66 -25.585 5.249 -9.108 353 H LEU 67 H LEU 67 -29.039 5.589 -9.134 354 HA LEU 67 HA LEU 67 -30.702 7.775 -10.120 355 1HB LEU 67 2HB LEU 67 -32.523 6.463 -8.933 356 2HB LEU 67 3HB LEU 67 -31.778 5.713 -10.343 357 HG LEU 67 HG LEU 67 -32.270 4.268 -8.262 358 1HD1 LEU 67 1HD1 LEU 67 -29.604 3.521 -8.720 359 2HD1 LEU 67 2HD1 LEU 67 -30.182 4.242 -10.222 360 3HD1 LEU 67 3HD1 LEU 67 -31.055 2.890 -9.500 361 1HD2 LEU 67 1HD2 LEU 67 -31.234 5.870 -6.671 362 2HD2 LEU 67 2HD2 LEU 67 -29.664 5.508 -7.390 363 3HD2 LEU 67 3HD2 LEU 67 -30.571 4.239 -6.566 364 H SER 68 H SER 68 -28.572 8.041 -8.013 365 HA SER 68 HA SER 68 -28.243 9.036 -5.986 366 1HB SER 68 2HB SER 68 -30.873 10.439 -6.294 367 2HB SER 68 3HB SER 68 -29.327 11.075 -5.732 368 HG SER 68 HG SER 68 -30.320 10.842 -8.293 369 H ASP 69 H ASP 69 -28.904 6.682 -5.314 370 HA ASP 69 HA ASP 69 -31.388 6.428 -3.905 371 1HB ASP 69 2HB ASP 69 -29.332 4.685 -4.784 372 2HB ASP 69 3HB ASP 69 -29.465 4.488 -3.039 373 H ASP 70 H ASP 70 -31.787 6.565 -1.740 374 HA ASP 70 HA ASP 70 -30.111 8.254 -0.193 375 1HB ASP 70 2HB ASP 70 -32.731 6.986 0.091 376 2HB ASP 70 3HB ASP 70 -31.848 7.086 1.612 377 H ASN 71 H ASN 71 -29.990 4.953 -0.825 378 HA ASN 71 HA ASN 71 -28.437 4.448 1.627 379 1HB ASN 71 2HB ASN 71 -29.890 2.485 -0.161 380 2HB ASN 71 3HB ASN 71 -28.904 2.042 1.230 381 1HD2 ASN 71 1HD2 ASN 71 -31.626 1.402 0.892 382 2HD2 ASN 71 2HD2 ASN 71 -32.518 2.194 2.142 383 H SER 72 H SER 72 -28.195 4.969 -1.665 384 HA SER 72 HA SER 72 -25.590 3.594 -1.777 385 1HB SER 72 2HB SER 72 -27.222 2.627 -3.352 386 2HB SER 72 3HB SER 72 -27.457 4.216 -4.080 387 HG SER 72 HG SER 72 -24.995 2.804 -3.979 388 HN2 GLY 73 H GLY 73 -27.170 6.111 -3.743 389 1HA GLY 73 2HA GLY 73 -26.378 8.130 -4.503 390 2HA GLY 73 3HA GLY 73 -25.782 8.327 -2.862 391 H LYS 74 H LYS 74 -24.978 7.312 -6.110 392 HA LYS 74 HA LYS 74 -22.208 7.992 -5.650 393 1HB LYS 74 2HB LYS 74 -21.348 5.819 -6.478 394 2HB LYS 74 3HB LYS 74 -22.170 5.684 -4.929 395 1HG LYS 74 2HG LYS 74 -24.082 4.703 -5.929 396 2HG LYS 74 3HG LYS 74 -23.508 5.086 -7.554 397 1HD LYS 74 2HD LYS 74 -21.903 3.417 -7.520 398 2HD LYS 74 3HD LYS 74 -21.856 3.358 -5.757 399 1HE LYS 74 2HE LYS 74 -23.864 2.155 -5.633 400 2HE LYS 74 3HE LYS 74 -24.309 2.558 -7.291 401 1HZ LYS 74 1HZ LYS 74 -23.562 0.270 -7.105 402 2HZ LYS 74 2HZ LYS 74 -22.071 0.777 -6.488 403 3HZ LYS 74 3HZ LYS 74 -22.503 1.161 -8.078 404 H ALA 75 H ALA 75 -20.951 7.341 -7.817 405 HA ALA 75 HA ALA 75 -22.454 7.360 -10.228 406 1HB ALA 75 1HB ALA 75 -21.317 9.982 -9.284 407 2HB ALA 75 2HB ALA 75 -21.726 9.653 -10.968 408 3HB ALA 75 3HB ALA 75 -22.983 9.618 -9.732 409 H TYR 76 H TYR 76 -20.864 8.190 -12.097 410 HA TYR 76 HA TYR 76 -18.104 7.450 -11.508 411 1HB TYR 76 2HB TYR 76 -19.415 6.134 -13.858 412 2HB TYR 76 3HB TYR 76 -17.974 5.649 -12.971 413 HD1 TYR 76 HD1 TYR 76 -21.655 5.655 -12.950 414 HD2 TYR 76 HD2 TYR 76 -18.129 4.274 -11.010 415 HE1 TYR 76 HE1 TYR 76 -23.004 4.067 -11.643 416 HE2 TYR 76 HE2 TYR 76 -19.468 2.681 -9.698 417 HH TYR 76 HH TYR 76 -22.344 1.662 -10.423 418 H ILE 77 H ILE 77 -16.737 8.750 -12.537 419 HA ILE 77 HA ILE 77 -17.758 10.322 -14.807 420 HB ILE 77 HB ILE 77 -15.386 11.018 -13.081 421 1HG1 ILE 77 2HG1 ILE 77 -18.250 11.963 -12.835 422 2HG1 ILE 77 3HG1 ILE 77 -17.400 10.935 -11.686 423 1HG2 ILE 77 1HG2 ILE 77 -16.734 13.240 -14.265 424 2HG2 ILE 77 2HG2 ILE 77 -15.077 12.688 -14.507 425 3HG2 ILE 77 3HG2 ILE 77 -16.376 12.045 -15.511 426 1HD1 ILE 77 1HD1 ILE 77 -17.170 12.939 -10.651 427 2HD1 ILE 77 2HD1 ILE 77 -15.725 12.977 -11.662 428 3HD1 ILE 77 3HD1 ILE 77 -17.174 13.848 -12.162 429 H VAL 78 H VAL 78 -17.156 9.362 -16.649 430 HA VAL 78 HA VAL 78 -14.665 7.929 -16.883 431 HB VAL 78 HB VAL 78 -16.569 8.653 -19.109 432 1HG1 VAL 78 1HG1 VAL 78 -14.093 7.214 -18.978 433 2HG1 VAL 78 2HG1 VAL 78 -15.392 6.132 -19.486 434 3HG1 VAL 78 3HG1 VAL 78 -15.076 7.617 -20.385 435 1HG2 VAL 78 1HG2 VAL 78 -17.774 7.522 -17.293 436 2HG2 VAL 78 2HG2 VAL 78 -17.657 6.509 -18.732 437 3HG2 VAL 78 3HG2 VAL 78 -16.606 6.201 -17.350 438 H PHE 79 H PHE 79 -12.779 8.725 -17.535 439 HA PHE 79 HA PHE 79 -12.741 11.419 -18.716 440 1HB PHE 79 2HB PHE 79 -10.776 9.927 -16.997 441 2HB PHE 79 3HB PHE 79 -10.264 11.299 -17.974 442 HD1 PHE 79 HD1 PHE 79 -11.955 10.226 -14.977 443 HD2 PHE 79 HD2 PHE 79 -11.257 13.541 -17.555 444 HE1 PHE 79 HE1 PHE 79 -12.702 11.759 -13.203 445 HE2 PHE 79 HE2 PHE 79 -12.001 15.079 -15.785 446 HZ PHE 79 HZ PHE 79 -12.725 14.189 -13.606 447 H ALA 80 H ALA 80 -10.530 11.703 -19.995 448 HA ALA 80 HA ALA 80 -10.786 10.203 -22.356 449 1HB ALA 80 1HB ALA 80 -8.190 11.306 -22.295 450 2HB ALA 80 2HB ALA 80 -9.626 11.939 -23.102 451 3HB ALA 80 3HB ALA 80 -9.253 12.432 -21.450 452 H THR 81 H THR 81 -8.531 9.944 -19.646 453 HA THR 81 HA THR 81 -8.078 7.173 -20.148 454 HB THR 81 HB THR 81 -5.424 8.269 -20.205 455 HG1 THR 81 HG1 THR 81 -5.495 9.360 -22.152 456 1HG2 THR 81 1HG2 THR 81 -5.428 6.932 -22.400 457 2HG2 THR 81 2HG2 THR 81 -7.075 6.478 -21.962 458 3HG2 THR 81 3HG2 THR 81 -5.732 6.053 -20.902 459 H GLN 82 H GLN 82 -6.369 6.290 -18.629 460 HA GLN 82 HA GLN 82 -6.949 6.940 -16.012 461 1HB GLN 82 2HB GLN 82 -5.704 4.889 -17.035 462 2HB GLN 82 3HB GLN 82 -4.255 5.837 -16.730 463 1HG GLN 82 2HG GLN 82 -6.028 5.738 -14.433 464 2HG GLN 82 3HG GLN 82 -5.499 4.141 -14.960 465 1HE2 GLN 82 1HE2 GLN 82 -4.078 3.655 -13.391 466 2HE2 GLN 82 2HE2 GLN 82 -2.650 4.563 -13.045 467 H GLU 83 H GLU 83 -4.585 8.343 -18.154 468 HA GLU 83 HA GLU 83 -2.907 9.597 -16.315 469 1HB GLU 83 2HB GLU 83 -3.761 10.453 -19.082 470 2HB GLU 83 3HB GLU 83 -2.494 11.255 -18.165 471 1HG GLU 83 2HG GLU 83 -1.323 9.035 -18.047 472 2HG GLU 83 3HG GLU 83 -2.511 8.437 -19.204 473 H SER 84 H SER 84 -5.797 10.911 -17.934 474 HA SER 84 HA SER 84 -5.778 13.332 -16.434 475 1HB SER 84 2HB SER 84 -7.469 12.092 -18.493 476 2HB SER 84 3HB SER 84 -8.353 13.105 -17.352 477 HG SER 84 HG SER 84 -6.041 13.904 -18.794 478 H ALA 85 H ALA 85 -7.663 10.334 -16.231 479 HA ALA 85 HA ALA 85 -9.422 11.013 -14.211 480 1HB ALA 85 1HB ALA 85 -8.458 8.310 -13.869 481 2HB ALA 85 2HB ALA 85 -10.040 8.885 -14.398 482 3HB ALA 85 3HB ALA 85 -8.736 8.689 -15.569 483 H GLN 86 H GLN 86 -6.205 9.519 -13.851 484 HA GLN 86 HA GLN 86 -6.147 9.409 -11.074 485 1HB GLN 86 2HB GLN 86 -4.487 8.260 -12.395 486 2HB GLN 86 3HB GLN 86 -3.890 9.781 -13.045 487 1HG GLN 86 2HG GLN 86 -2.615 10.193 -11.255 488 2HG GLN 86 3HG GLN 86 -3.836 9.612 -10.125 489 1HE2 GLN 86 1HE2 GLN 86 -3.786 7.514 -9.439 490 2HE2 GLN 86 2HE2 GLN 86 -2.491 6.428 -9.796 491 H ALA 87 H ALA 87 -5.364 12.056 -13.259 492 HA ALA 87 HA ALA 87 -4.220 13.784 -11.344 493 1HB ALA 87 1HB ALA 87 -5.136 15.539 -13.119 494 2HB ALA 87 2HB ALA 87 -3.728 14.525 -13.435 495 3HB ALA 87 3HB ALA 87 -5.303 14.074 -14.087 496 H PHE 88 H PHE 88 -7.541 13.370 -12.498 497 HA PHE 88 HA PHE 88 -8.589 15.520 -10.930 498 1HB PHE 88 2HB PHE 88 -9.788 14.922 -12.909 499 2HB PHE 88 3HB PHE 88 -9.897 13.237 -12.410 500 HD1 PHE 88 HD1 PHE 88 -11.467 12.552 -10.676 501 HD2 PHE 88 HD2 PHE 88 -11.284 16.579 -12.040 502 HE1 PHE 88 HE1 PHE 88 -13.651 13.000 -9.634 503 HE2 PHE 88 HE2 PHE 88 -13.467 17.035 -11.001 504 HZ PHE 88 HZ PHE 88 -14.653 15.244 -9.795 505 H VAL 89 H VAL 89 -8.227 12.054 -10.505 506 HA VAL 89 HA VAL 89 -9.869 11.802 -8.212 507 HB VAL 89 HB VAL 89 -7.541 10.095 -9.106 508 1HG1 VAL 89 1HG1 VAL 89 -9.182 10.023 -6.720 509 2HG1 VAL 89 2HG1 VAL 89 -9.308 8.529 -7.651 510 3HG1 VAL 89 3HG1 VAL 89 -7.729 9.107 -7.118 511 1HG2 VAL 89 1HG2 VAL 89 -10.265 9.066 -9.374 512 2HG2 VAL 89 2HG2 VAL 89 -9.933 10.480 -10.375 513 3HG2 VAL 89 3HG2 VAL 89 -8.925 9.041 -10.520 514 H GLU 90 H GLU 90 -6.419 12.435 -8.653 515 HA GLU 90 HA GLU 90 -5.900 12.447 -5.815 516 1HB GLU 90 2HB GLU 90 -3.642 12.816 -6.365 517 2HB GLU 90 3HB GLU 90 -4.249 11.774 -7.644 518 1HG GLU 90 2HG GLU 90 -3.254 13.249 -8.995 519 2HG GLU 90 3HG GLU 90 -4.710 14.204 -8.725 520 H ALA 91 H ALA 91 -6.778 14.739 -8.250 521 HA ALA 91 HA ALA 91 -5.915 17.071 -6.821 522 1HB ALA 91 1HB ALA 91 -6.060 17.254 -9.183 523 2HB ALA 91 2HB ALA 91 -7.732 16.692 -9.190 524 3HB ALA 91 3HB ALA 91 -7.336 18.271 -8.513 525 H PHE 92 H PHE 92 -8.729 15.059 -6.816 526 HA PHE 92 HA PHE 92 -10.049 16.947 -4.978 527 1HB PHE 92 2HB PHE 92 -11.255 15.123 -7.055 528 2HB PHE 92 3HB PHE 92 -12.204 15.816 -5.745 529 HD1 PHE 92 HD1 PHE 92 -13.365 17.732 -6.209 530 HD2 PHE 92 HD2 PHE 92 -9.761 16.945 -8.332 531 HE1 PHE 92 HE1 PHE 92 -13.705 19.776 -7.536 532 HE2 PHE 92 HE2 PHE 92 -10.094 18.989 -9.662 533 HZ PHE 92 HZ PHE 92 -12.067 20.408 -9.264 534 H GLN 93 H GLN 93 -8.288 14.306 -4.919 535 HA GLN 93 HA GLN 93 -9.642 12.239 -3.736 536 1HB GLN 93 2HB GLN 93 -7.360 11.897 -4.201 537 2HB GLN 93 3HB GLN 93 -6.871 13.309 -3.274 538 1HG GLN 93 2HG GLN 93 -7.453 12.184 -1.206 539 2HG GLN 93 3HG GLN 93 -8.017 10.780 -2.112 540 1HE2 GLN 93 1HE2 GLN 93 -5.127 12.847 -2.134 541 2HE2 GLN 93 2HE2 GLN 93 -3.990 11.548 -2.089 542 HN2 GLY 94 H GLY 94 -8.727 15.310 -2.325 543 1HA GLY 94 2HA GLY 94 -10.348 14.627 0.031 544 2HA GLY 94 3HA GLY 94 -8.725 15.257 0.267 545 H TYR 95 H TYR 95 -11.534 16.098 -1.767 546 HA TYR 95 HA TYR 95 -11.218 18.880 -0.846 547 1HB TYR 95 2HB TYR 95 -10.624 18.708 -3.192 548 2HB TYR 95 3HB TYR 95 -12.130 17.868 -3.547 549 HD1 TYR 95 HD1 TYR 95 -14.283 19.102 -3.444 550 HD2 TYR 95 HD2 TYR 95 -10.542 21.085 -3.032 551 HE1 TYR 95 HE1 TYR 95 -15.381 21.254 -3.906 552 HE2 TYR 95 HE2 TYR 95 -11.629 23.243 -3.491 553 HH TYR 95 HH TYR 95 -13.534 24.291 -3.922 554 HA PRO 96 HA PRO 96 -15.310 18.492 0.765 555 1HB PRO 96 2HB PRO 96 -15.828 21.135 1.104 556 2HB PRO 96 3HB PRO 96 -14.747 20.224 2.166 557 1HG PRO 96 2HG PRO 96 -14.073 22.030 -0.124 558 2HG PRO 96 3HG PRO 96 -13.305 21.910 1.470 559 1HD PRO 96 2HD PRO 96 -12.251 20.763 -0.746 560 2HD PRO 96 3HD PRO 96 -12.068 20.058 0.873 561 H PHE 97 H PHE 97 -16.706 17.775 -0.771 562 HA PHE 97 HA PHE 97 -17.989 19.812 -2.437 563 1HB PHE 97 2HB PHE 97 -16.363 18.714 -3.896 564 2HB PHE 97 3HB PHE 97 -17.016 17.138 -3.462 565 HD1 PHE 97 HD1 PHE 97 -18.111 16.199 -5.241 566 HD2 PHE 97 HD2 PHE 97 -18.568 20.367 -4.508 567 HE1 PHE 97 HE1 PHE 97 -19.708 16.349 -7.106 568 HE2 PHE 97 HE2 PHE 97 -20.166 20.523 -6.372 569 HZ PHE 97 HZ PHE 97 -20.739 18.512 -7.673 570 H GLN 98 H GLN 98 -20.162 19.491 -2.804 571 HA GLN 98 HA GLN 98 -22.269 18.818 -2.256 572 1HB GLN 98 2HB GLN 98 -20.832 16.259 -2.858 573 2HB GLN 98 3HB GLN 98 -22.502 16.215 -2.310 574 1HG GLN 98 2HG GLN 98 -22.412 18.142 -4.338 575 2HG GLN 98 3HG GLN 98 -21.452 16.781 -4.915 576 1HE2 GLN 98 1HE2 GLN 98 -22.640 15.568 -6.192 577 2HE2 GLN 98 2HE2 GLN 98 -24.279 15.095 -5.916 578 HN2 GLY 99 H GLY 99 -20.393 19.278 -0.055 579 1HA GLY 99 2HA GLY 99 -21.661 19.072 2.190 580 2HA GLY 99 3HA GLY 99 -21.360 17.357 1.952 581 H ASN 100 H ASN 100 -19.033 16.746 1.644 582 HA ASN 100 HA ASN 100 -16.903 18.391 2.363 583 1HB ASN 100 2HB ASN 100 -18.527 17.613 4.598 584 2HB ASN 100 3HB ASN 100 -16.944 16.855 4.742 585 1HD2 ASN 100 1HD2 ASN 100 -16.254 18.088 6.436 586 2HD2 ASN 100 2HD2 ASN 100 -15.913 19.777 6.304 587 HA PRO 101 HA PRO 101 -15.515 13.794 2.843 588 1HB PRO 101 2HB PRO 101 -17.452 11.892 2.863 589 2HB PRO 101 3HB PRO 101 -16.871 12.687 4.331 590 1HG PRO 101 2HG PRO 101 -19.327 13.254 2.715 591 2HG PRO 101 3HG PRO 101 -19.140 13.175 4.477 592 1HD PRO 101 2HD PRO 101 -19.222 15.519 3.124 593 2HD PRO 101 3HD PRO 101 -18.268 15.304 4.606 594 H LEU 102 H LEU 102 -14.715 13.916 0.783 595 HA LEU 102 HA LEU 102 -16.469 12.965 -1.385 596 1HB LEU 102 2HB LEU 102 -15.252 15.355 -1.301 597 2HB LEU 102 3HB LEU 102 -13.971 14.401 -2.045 598 HG LEU 102 HG LEU 102 -16.719 14.989 -3.111 599 1HD1 LEU 102 1HD1 LEU 102 -14.856 16.597 -3.494 600 2HD1 LEU 102 2HD1 LEU 102 -15.534 15.912 -4.970 601 3HD1 LEU 102 3HD1 LEU 102 -13.994 15.318 -4.350 602 1HD2 LEU 102 1HD2 LEU 102 -15.862 13.504 -5.054 603 2HD2 LEU 102 2HD2 LEU 102 -16.589 12.739 -3.641 604 3HD2 LEU 102 3HD2 LEU 102 -14.834 12.777 -3.820 605 H VAL 103 H VAL 103 -15.927 11.138 -2.395 606 HA VAL 103 HA VAL 103 -13.198 10.090 -2.014 607 HB VAL 103 HB VAL 103 -14.801 8.823 -0.648 608 1HG1 VAL 103 1HG1 VAL 103 -16.532 9.203 -2.764 609 2HG1 VAL 103 2HG1 VAL 103 -16.139 7.485 -2.853 610 3HG1 VAL 103 3HG1 VAL 103 -16.807 8.163 -1.367 611 1HG2 VAL 103 1HG2 VAL 103 -14.407 6.633 -2.337 612 2HG2 VAL 103 2HG2 VAL 103 -13.082 7.741 -2.693 613 3HG2 VAL 103 3HG2 VAL 103 -13.346 7.185 -1.040 614 H ILE 104 H ILE 104 -12.142 9.512 -3.809 615 HA ILE 104 HA ILE 104 -13.691 9.136 -6.285 616 HB ILE 104 HB ILE 104 -11.268 10.105 -7.163 617 1HG1 ILE 104 2HG1 ILE 104 -10.952 10.767 -4.678 618 2HG1 ILE 104 3HG1 ILE 104 -10.620 11.974 -5.916 619 1HG2 ILE 104 1HG2 ILE 104 -12.583 12.175 -7.684 620 2HG2 ILE 104 2HG2 ILE 104 -13.342 10.665 -8.185 621 3HG2 ILE 104 3HG2 ILE 104 -13.904 11.494 -6.734 622 1HD1 ILE 104 1HD1 ILE 104 -12.344 13.282 -5.288 623 2HD1 ILE 104 2HD1 ILE 104 -13.366 11.914 -4.843 624 3HD1 ILE 104 3HD1 ILE 104 -12.095 12.459 -3.748 625 H THR 105 H THR 105 -13.414 7.141 -7.005 626 HA THR 105 HA THR 105 -10.803 5.837 -6.587 627 HB THR 105 HB THR 105 -11.866 3.717 -6.445 628 HG1 THR 105 HG1 THR 105 -14.348 3.850 -6.583 629 1HG2 THR 105 1HG2 THR 105 -12.801 3.927 -4.385 630 2HG2 THR 105 2HG2 THR 105 -13.897 5.212 -4.895 631 3HG2 THR 105 3HG2 THR 105 -12.208 5.580 -4.544 632 H PHE 106 H PHE 106 -10.613 3.895 -8.229 633 HA PHE 106 HA PHE 106 -10.917 5.088 -10.883 634 1HB PHE 106 2HB PHE 106 -9.108 2.991 -9.730 635 2HB PHE 106 3HB PHE 106 -9.364 3.070 -11.470 636 HD1 PHE 106 HD1 PHE 106 -7.236 3.730 -12.198 637 HD2 PHE 106 HD2 PHE 106 -9.205 5.933 -9.134 638 HE1 PHE 106 HE1 PHE 106 -5.525 5.490 -12.368 639 HE2 PHE 106 HE2 PHE 106 -7.497 7.697 -9.300 640 HZ PHE 106 HZ PHE 106 -5.655 7.477 -10.919 641 H SER 107 H SER 107 -12.911 3.442 -9.144 642 HA SER 107 HA SER 107 -14.622 1.991 -9.515 643 1HB SER 107 2HB SER 107 -15.651 2.113 -11.569 644 2HB SER 107 3HB SER 107 -14.567 3.497 -11.709 645 HG SER 107 HG SER 107 -14.600 1.168 -13.117 646 H GLU 108 H GLU 108 -15.073 -0.058 -11.241 647 HA GLU 108 HA GLU 108 -12.694 -1.770 -10.944 648 1HB GLU 108 2HB GLU 108 -15.529 -2.763 -10.707 649 2HB GLU 108 3HB GLU 108 -14.047 -3.604 -10.275 650 1HG GLU 108 2HG GLU 108 -15.390 -1.339 -8.845 651 2HG GLU 108 3HG GLU 108 -15.020 -2.955 -8.247 652 H THR 109 H THR 109 -11.932 -2.171 -12.911 653 HA THR 109 HA THR 109 -13.854 -2.683 -15.087 654 HB THR 109 HB THR 109 -12.122 -2.011 -16.667 655 HG1 THR 109 HG1 THR 109 -10.525 -1.275 -14.431 656 1HG2 THR 109 1HG2 THR 109 -13.585 -0.260 -15.849 657 2HG2 THR 109 2HG2 THR 109 -11.958 0.385 -16.064 658 3HG2 THR 109 3HG2 THR 109 -12.546 -0.007 -14.448 659 HA PRO 110 HA PRO 110 -11.687 -6.695 -14.206 660 1HB PRO 110 2HB PRO 110 -13.932 -8.213 -14.382 661 2HB PRO 110 3HB PRO 110 -13.421 -7.423 -12.885 662 1HG PRO 110 2HG PRO 110 -15.478 -6.554 -14.879 663 2HG PRO 110 3HG PRO 110 -15.556 -6.529 -13.107 664 1HD PRO 110 2HD PRO 110 -15.006 -4.319 -14.573 665 2HD PRO 110 3HD PRO 110 -14.325 -4.586 -12.956 666 H GLN 111 H GLN 111 -12.253 -8.865 -15.537 667 HA GLN 111 HA GLN 111 -11.979 -9.880 -17.557 668 1HB GLN 111 2HB GLN 111 -14.435 -9.024 -17.557 669 2HB GLN 111 3HB GLN 111 -13.854 -7.853 -18.734 670 1HG GLN 111 2HG GLN 111 -13.119 -9.663 -20.188 671 2HG GLN 111 3HG GLN 111 -13.675 -10.845 -19.005 672 1HE2 GLN 111 1HE2 GLN 111 -14.454 -10.198 -21.835 673 2HE2 GLN 111 2HE2 GLN 111 -16.172 -10.030 -21.781 674 H SER 112 H SER 112 -10.193 -7.671 -16.912 675 HA SER 112 HA SER 112 -9.688 -6.401 -19.488 676 1HB SER 112 2HB SER 112 -8.374 -4.862 -18.361 677 2HB SER 112 3HB SER 112 -9.528 -5.298 -17.100 678 HG SER 112 HG SER 112 -6.831 -5.733 -17.231 679 H GLN 113 H GLN 113 -8.147 -8.634 -17.221 680 HA GLN 113 HA GLN 113 -5.734 -8.949 -18.647 681 1HB GLN 113 2HB GLN 113 -5.453 -11.006 -17.301 682 2HB GLN 113 3HB GLN 113 -5.897 -9.612 -16.325 683 1HG GLN 113 2HG GLN 113 -8.326 -10.531 -16.682 684 2HG GLN 113 3HG GLN 113 -7.474 -12.044 -16.991 685 1HE2 GLN 113 1HE2 GLN 113 -7.785 -13.225 -15.229 686 2HE2 GLN 113 2HE2 GLN 113 -7.457 -12.720 -13.610 687 H VAL 114 H VAL 114 -8.798 -10.714 -18.732 688 HA VAL 114 HA VAL 114 -7.987 -12.771 -20.469 689 HB VAL 114 HB VAL 114 -10.349 -13.159 -20.895 690 1HG1 VAL 114 1HG1 VAL 114 -10.042 -12.353 -18.012 691 2HG1 VAL 114 2HG1 VAL 114 -11.041 -13.646 -18.679 692 3HG1 VAL 114 3HG1 VAL 114 -9.282 -13.787 -18.701 693 1HG2 VAL 114 1HG2 VAL 114 -10.823 -10.544 -19.468 694 2HG2 VAL 114 2HG2 VAL 114 -11.041 -10.830 -21.195 695 3HG2 VAL 114 3HG2 VAL 114 -12.069 -11.661 -20.026 696 H ALA 115 H ALA 115 -8.937 -9.473 -21.038 697 HA ALA 115 HA ALA 115 -9.502 -9.734 -23.815 698 1HB ALA 115 1HB ALA 115 -9.782 -7.740 -21.925 699 2HB ALA 115 2HB ALA 115 -8.557 -7.107 -23.025 700 3HB ALA 115 3HB ALA 115 -10.130 -7.603 -23.649 701 H GLU 116 H GLU 116 -6.607 -8.967 -21.954 702 HA GLU 116 HA GLU 116 -5.020 -8.337 -24.256 703 1HB GLU 116 2HB GLU 116 -4.705 -8.289 -21.386 704 2HB GLU 116 3HB GLU 116 -3.304 -9.032 -22.145 705 1HG GLU 116 2HG GLU 116 -4.422 -6.377 -22.995 706 2HG GLU 116 3HG GLU 116 -3.161 -6.557 -21.776 707 H ASP 117 H ASP 117 -5.608 -11.189 -22.299 708 HA ASP 117 HA ASP 117 -4.184 -12.787 -24.305 709 1HB ASP 117 2HB ASP 117 -3.623 -12.640 -21.390 710 2HB ASP 117 3HB ASP 117 -3.591 -14.238 -22.129 Start of MODEL 19 1 H THR 22 H THR 22 1.484 -2.179 0.217 2 HA THR 22 HA THR 22 2.009 0.111 -1.563 3 HB THR 22 HB THR 22 3.683 -2.391 -1.469 4 HG1 THR 22 HG1 THR 22 4.223 -1.707 0.473 5 1HG2 THR 22 1HG2 THR 22 5.247 -0.190 -2.091 6 2HG2 THR 22 2HG2 THR 22 3.724 0.125 -2.923 7 3HG2 THR 22 3HG2 THR 22 4.606 -1.370 -3.233 8 HA PRO 23 HA PRO 23 -0.646 -2.900 -3.913 9 1HB PRO 23 2HB PRO 23 -2.295 -1.007 -4.944 10 2HB PRO 23 3HB PRO 23 -2.565 -1.762 -3.369 11 1HG PRO 23 2HG PRO 23 -1.332 0.889 -4.012 12 2HG PRO 23 3HG PRO 23 -2.495 0.476 -2.739 13 1HD PRO 23 2HD PRO 23 0.154 0.762 -2.255 14 2HD PRO 23 3HD PRO 23 -0.865 -0.378 -1.352 15 HA PRO 24 HA PRO 24 2.059 -1.777 -7.351 16 1HB PRO 24 2HB PRO 24 1.851 -4.182 -8.592 17 2HB PRO 24 3HB PRO 24 2.924 -3.901 -7.217 18 1HG PRO 24 2HG PRO 24 0.206 -5.153 -7.272 19 2HG PRO 24 3HG PRO 24 1.655 -5.663 -6.386 20 1HD PRO 24 2HD PRO 24 -0.365 -4.295 -5.211 21 2HD PRO 24 3HD PRO 24 1.328 -4.114 -4.710 22 H HIS 25 H HIS 25 1.768 -1.638 -9.672 23 HA HIS 25 HA HIS 25 -1.061 -1.698 -10.494 24 1HB HIS 25 2HB HIS 25 1.051 0.359 -11.163 25 2HB HIS 25 3HB HIS 25 -0.520 0.271 -11.954 26 HD1 HIS 25 HD1 HIS 25 0.831 2.484 -9.868 27 HD2 HIS 25 HD2 HIS 25 -2.398 -0.065 -9.290 28 HE1 HIS 25 HE1 HIS 25 -0.537 3.537 -8.040 29 H THR 26 H THR 26 -1.512 -2.779 -12.309 30 HA THR 26 HA THR 26 0.754 -3.702 -13.951 31 HB THR 26 HB THR 26 -1.342 -5.353 -14.622 32 HG1 THR 26 HG1 THR 26 -2.663 -5.487 -12.982 33 1HG2 THR 26 1HG2 THR 26 -0.085 -7.063 -13.620 34 2HG2 THR 26 2HG2 THR 26 0.530 -5.993 -12.359 35 3HG2 THR 26 3HG2 THR 26 1.106 -5.825 -14.018 36 H GLU 27 H GLU 27 -2.548 -2.460 -14.036 37 HA GLU 27 HA GLU 27 -2.113 -1.726 -16.854 38 1HB GLU 27 2HB GLU 27 -4.678 -1.966 -17.035 39 2HB GLU 27 3HB GLU 27 -3.696 -3.424 -17.060 40 1HG GLU 27 2HG GLU 27 -4.220 -3.895 -14.774 41 2HG GLU 27 3HG GLU 27 -5.046 -2.348 -14.598 42 HA PRO 28 HA PRO 28 -3.180 2.392 -15.782 43 1HB PRO 28 2HB PRO 28 -4.504 3.221 -18.002 44 2HB PRO 28 3HB PRO 28 -2.757 2.957 -17.968 45 1HG PRO 28 2HG PRO 28 -4.925 1.162 -18.989 46 2HG PRO 28 3HG PRO 28 -3.349 1.535 -19.711 47 1HD PRO 28 2HD PRO 28 -3.818 -0.750 -18.335 48 2HD PRO 28 3HD PRO 28 -2.232 0.049 -18.348 49 H SER 29 H SER 29 -5.207 3.981 -16.106 50 HA SER 29 HA SER 29 -7.764 2.695 -15.787 51 1HB SER 29 2HB SER 29 -6.863 4.334 -13.435 52 2HB SER 29 3HB SER 29 -8.184 3.170 -13.534 53 HG SER 29 HG SER 29 -6.395 2.315 -12.407 54 H GLN 30 H GLN 30 -8.717 3.960 -17.283 55 HA GLN 30 HA GLN 30 -8.341 6.853 -17.181 56 1HB GLN 30 2HB GLN 30 -10.003 5.337 -19.184 57 2HB GLN 30 3HB GLN 30 -9.296 6.938 -19.349 58 1HG GLN 30 2HG GLN 30 -7.037 5.779 -19.187 59 2HG GLN 30 3HG GLN 30 -7.923 4.276 -19.437 60 1HE2 GLN 30 1HE2 GLN 30 -6.026 4.936 -21.216 61 2HE2 GLN 30 2HE2 GLN 30 -6.732 5.430 -22.713 62 H VAL 31 H VAL 31 -9.984 5.154 -15.260 63 HA VAL 31 HA VAL 31 -12.366 6.863 -15.350 64 HB VAL 31 HB VAL 31 -13.848 5.049 -14.780 65 1HG1 VAL 31 1HG1 VAL 31 -12.539 3.691 -17.011 66 2HG1 VAL 31 2HG1 VAL 31 -14.138 4.429 -16.912 67 3HG1 VAL 31 3HG1 VAL 31 -12.723 5.428 -17.247 68 1HG2 VAL 31 1HG2 VAL 31 -12.317 2.733 -15.267 69 2HG2 VAL 31 2HG2 VAL 31 -11.414 3.708 -14.108 70 3HG2 VAL 31 3HG2 VAL 31 -13.076 3.236 -13.756 71 H VAL 32 H VAL 32 -13.303 7.312 -13.330 72 HA VAL 32 HA VAL 32 -11.739 6.451 -10.987 73 HB VAL 32 HB VAL 32 -11.836 8.637 -10.022 74 1HG1 VAL 32 1HG1 VAL 32 -10.523 9.948 -11.635 75 2HG1 VAL 32 2HG1 VAL 32 -9.994 8.266 -11.560 76 3HG1 VAL 32 3HG1 VAL 32 -10.985 8.821 -12.910 77 1HG2 VAL 32 1HG2 VAL 32 -13.671 9.835 -10.478 78 2HG2 VAL 32 2HG2 VAL 32 -12.780 10.409 -11.888 79 3HG2 VAL 32 3HG2 VAL 32 -13.901 9.057 -12.044 80 H LEU 33 H LEU 33 -12.876 5.990 -9.154 81 HA LEU 33 HA LEU 33 -15.806 6.045 -9.408 82 1HB LEU 33 2HB LEU 33 -15.329 3.838 -9.094 83 2HB LEU 33 3HB LEU 33 -13.877 4.174 -8.152 84 HG LEU 33 HG LEU 33 -15.240 4.681 -6.199 85 1HD1 LEU 33 1HD1 LEU 33 -17.384 5.216 -6.347 86 2HD1 LEU 33 2HD1 LEU 33 -17.760 3.655 -7.074 87 3HD1 LEU 33 3HD1 LEU 33 -17.290 5.012 -8.097 88 1HD2 LEU 33 1HD2 LEU 33 -16.505 2.283 -6.305 89 2HD2 LEU 33 2HD2 LEU 33 -14.792 2.495 -5.941 90 3HD2 LEU 33 3HD2 LEU 33 -15.303 2.091 -7.581 91 H ILE 34 H ILE 34 -16.873 7.461 -8.209 92 HA ILE 34 HA ILE 34 -15.575 8.516 -5.785 93 HB ILE 34 HB ILE 34 -16.988 10.506 -6.038 94 1HG1 ILE 34 2HG1 ILE 34 -18.614 8.946 -7.561 95 2HG1 ILE 34 3HG1 ILE 34 -18.669 10.705 -7.542 96 1HG2 ILE 34 1HG2 ILE 34 -15.919 11.384 -8.127 97 2HG2 ILE 34 2HG2 ILE 34 -14.806 10.633 -6.985 98 3HG2 ILE 34 3HG2 ILE 34 -15.315 9.754 -8.426 99 1HD1 ILE 34 1HD1 ILE 34 -18.661 9.662 -9.808 100 2HD1 ILE 34 2HD1 ILE 34 -17.379 10.841 -9.530 101 3HD1 ILE 34 3HD1 ILE 34 -17.016 9.116 -9.484 102 H THR 35 H THR 35 -16.813 8.823 -3.906 103 HA THR 35 HA THR 35 -19.515 7.715 -3.853 104 HB THR 35 HB THR 35 -19.067 6.238 -1.986 105 HG1 THR 35 HG1 THR 35 -16.402 7.205 -2.242 106 1HG2 THR 35 1HG2 THR 35 -17.816 4.519 -3.103 107 2HG2 THR 35 2HG2 THR 35 -17.015 5.705 -4.133 108 3HG2 THR 35 3HG2 THR 35 -18.742 5.400 -4.318 109 H ASN 36 H ASN 36 -20.090 7.728 -1.248 110 HA ASN 36 HA ASN 36 -20.627 9.040 0.531 111 1HB ASN 36 2HB ASN 36 -17.868 9.672 -0.044 112 2HB ASN 36 3HB ASN 36 -18.712 11.098 0.553 113 1HD2 ASN 36 1HD2 ASN 36 -17.332 10.934 2.401 114 2HD2 ASN 36 2HD2 ASN 36 -17.716 9.830 3.673 115 H ILE 37 H ILE 37 -21.363 9.706 -2.314 116 HA ILE 37 HA ILE 37 -21.721 12.592 -2.217 117 HB ILE 37 HB ILE 37 -22.836 12.276 -4.433 118 1HG1 ILE 37 2HG1 ILE 37 -21.867 9.423 -4.167 119 2HG1 ILE 37 3HG1 ILE 37 -23.548 9.915 -3.993 120 1HG2 ILE 37 1HG2 ILE 37 -20.761 11.747 -5.642 121 2HG2 ILE 37 2HG2 ILE 37 -20.486 12.853 -4.297 122 3HG2 ILE 37 3HG2 ILE 37 -20.054 11.151 -4.141 123 1HD1 ILE 37 1HD1 ILE 37 -21.866 9.723 -6.424 124 2HD1 ILE 37 2HD1 ILE 37 -23.551 9.269 -6.168 125 3HD1 ILE 37 3HD1 ILE 37 -23.116 10.965 -6.372 126 H ASN 38 H ASN 38 -23.601 13.632 -1.816 127 HA ASN 38 HA ASN 38 -25.698 12.180 -0.517 128 1HB ASN 38 2HB ASN 38 -24.778 14.797 -0.454 129 2HB ASN 38 3HB ASN 38 -26.350 14.930 -1.236 130 1HD2 ASN 38 1HD2 ASN 38 -24.718 14.686 1.679 131 2HD2 ASN 38 2HD2 ASN 38 -26.073 14.389 2.709 132 HA PRO 39 HA PRO 39 -27.956 11.338 -4.265 133 1HB PRO 39 2HB PRO 39 -30.051 10.109 -3.052 134 2HB PRO 39 3HB PRO 39 -28.490 9.319 -3.306 135 1HG PRO 39 2HG PRO 39 -29.572 10.629 -0.841 136 2HG PRO 39 3HG PRO 39 -28.684 9.102 -0.999 137 1HD PRO 39 2HD PRO 39 -27.499 11.399 -0.193 138 2HD PRO 39 3HD PRO 39 -26.640 10.158 -1.127 139 H GLU 40 H GLU 40 -28.744 13.448 -1.747 140 HA GLU 40 HA GLU 40 -31.386 14.128 -2.153 141 1HB GLU 40 2HB GLU 40 -29.109 15.292 -0.873 142 2HB GLU 40 3HB GLU 40 -29.953 16.549 -1.767 143 1HG GLU 40 2HG GLU 40 -31.928 15.055 -0.442 144 2HG GLU 40 3HG GLU 40 -30.636 15.331 0.724 145 H VAL 41 H VAL 41 -28.620 14.788 -4.152 146 HA VAL 41 HA VAL 41 -30.156 16.615 -5.845 147 HB VAL 41 HB VAL 41 -27.903 17.336 -5.325 148 1HG1 VAL 41 1HG1 VAL 41 -27.031 14.730 -6.568 149 2HG1 VAL 41 2HG1 VAL 41 -25.948 16.051 -6.126 150 3HG1 VAL 41 3HG1 VAL 41 -26.863 15.204 -4.878 151 1HG2 VAL 41 1HG2 VAL 41 -28.275 16.450 -8.181 152 2HG2 VAL 41 2HG2 VAL 41 -28.702 18.009 -7.476 153 3HG2 VAL 41 3HG2 VAL 41 -27.007 17.555 -7.651 154 HA PRO 42 HA PRO 42 -31.171 13.361 -8.662 155 1HB PRO 42 2HB PRO 42 -31.957 14.923 -10.738 156 2HB PRO 42 3HB PRO 42 -32.944 14.680 -9.292 157 1HG PRO 42 2HG PRO 42 -31.154 16.973 -10.001 158 2HG PRO 42 3HG PRO 42 -32.775 17.000 -9.282 159 1HD PRO 42 2HD PRO 42 -30.524 17.318 -7.811 160 2HD PRO 42 3HD PRO 42 -31.983 16.536 -7.168 161 H LYS 43 H LYS 43 -30.155 12.244 -10.252 162 HA LYS 43 HA LYS 43 -27.533 12.650 -10.912 163 1HB LYS 43 2HB LYS 43 -28.465 10.531 -11.382 164 2HB LYS 43 3HB LYS 43 -29.730 11.219 -12.392 165 1HG LYS 43 2HG LYS 43 -26.962 11.696 -13.285 166 2HG LYS 43 3HG LYS 43 -27.531 10.027 -13.359 167 1HD LYS 43 2HD LYS 43 -29.653 11.250 -14.435 168 2HD LYS 43 3HD LYS 43 -28.401 12.408 -14.893 169 1HE LYS 43 2HE LYS 43 -28.322 10.991 -16.689 170 2HE LYS 43 3HE LYS 43 -27.128 10.230 -15.639 171 1HZ LYS 43 1HZ LYS 43 -29.601 9.170 -14.956 172 2HZ LYS 43 2HZ LYS 43 -28.324 8.386 -15.742 173 3HZ LYS 43 3HZ LYS 43 -29.531 9.153 -16.646 174 H GLU 44 H GLU 44 -30.371 13.989 -12.479 175 HA GLU 44 HA GLU 44 -29.330 14.890 -14.865 176 1HB GLU 44 2HB GLU 44 -31.500 15.808 -13.060 177 2HB GLU 44 3HB GLU 44 -30.960 16.944 -14.287 178 1HG GLU 44 2HG GLU 44 -31.492 15.411 -16.039 179 2HG GLU 44 3HG GLU 44 -31.833 14.129 -14.879 180 H LYS 45 H LYS 45 -29.435 16.710 -11.800 181 HA LYS 45 HA LYS 45 -27.642 18.721 -12.853 182 1HB LYS 45 2HB LYS 45 -28.596 18.430 -10.005 183 2HB LYS 45 3HB LYS 45 -27.981 19.880 -10.788 184 1HG LYS 45 2HG LYS 45 -30.105 19.234 -12.377 185 2HG LYS 45 3HG LYS 45 -30.670 18.747 -10.777 186 1HD LYS 45 2HD LYS 45 -29.318 21.358 -10.887 187 2HD LYS 45 3HD LYS 45 -30.848 21.267 -11.763 188 1HE LYS 45 2HE LYS 45 -31.016 19.996 -9.166 189 2HE LYS 45 3HE LYS 45 -30.507 21.679 -9.036 190 1HZ LYS 45 1HZ LYS 45 -32.988 20.610 -10.244 191 2HZ LYS 45 2HZ LYS 45 -32.449 22.184 -10.550 192 3HZ LYS 45 3HZ LYS 45 -32.833 21.714 -8.971 193 H LEU 46 H LEU 46 -27.539 16.153 -10.415 194 HA LEU 46 HA LEU 46 -25.044 16.613 -9.327 195 1HB LEU 46 2HB LEU 46 -25.878 14.886 -8.191 196 2HB LEU 46 3HB LEU 46 -26.876 14.371 -9.549 197 HG LEU 46 HG LEU 46 -24.881 13.218 -10.495 198 1HD1 LEU 46 1HD1 LEU 46 -23.633 14.492 -8.164 199 2HD1 LEU 46 2HD1 LEU 46 -22.925 13.969 -9.691 200 3HD1 LEU 46 3HD1 LEU 46 -23.211 12.797 -8.405 201 1HD2 LEU 46 1HD2 LEU 46 -26.245 11.699 -9.475 202 2HD2 LEU 46 2HD2 LEU 46 -26.155 12.501 -7.907 203 3HD2 LEU 46 3HD2 LEU 46 -24.803 11.519 -8.474 204 H GLN 47 H GLN 47 -25.844 14.675 -12.200 205 HA GLN 47 HA GLN 47 -23.204 13.920 -12.812 206 1HB GLN 47 2HB GLN 47 -25.219 12.827 -13.747 207 2HB GLN 47 3HB GLN 47 -25.533 14.267 -14.707 208 1HG GLN 47 2HG GLN 47 -23.038 13.782 -15.502 209 2HG GLN 47 3HG GLN 47 -23.516 12.140 -15.075 210 1HE2 GLN 47 1HE2 GLN 47 -24.725 14.966 -16.844 211 2HE2 GLN 47 2HE2 GLN 47 -25.433 14.068 -18.138 212 H ALA 48 H ALA 48 -25.215 16.572 -14.067 213 HA ALA 48 HA ALA 48 -23.405 17.647 -15.877 214 1HB ALA 48 1HB ALA 48 -25.204 19.399 -14.242 215 2HB ALA 48 2HB ALA 48 -24.757 19.538 -15.943 216 3HB ALA 48 3HB ALA 48 -25.864 18.267 -15.423 217 H LEU 49 H LEU 49 -23.588 17.999 -12.393 218 HA LEU 49 HA LEU 49 -21.729 20.152 -12.209 219 1HB LEU 49 2HB LEU 49 -23.372 18.645 -10.446 220 2HB LEU 49 3HB LEU 49 -21.724 18.613 -9.823 221 HG LEU 49 HG LEU 49 -22.855 20.422 -8.774 222 1HD1 LEU 49 1HD1 LEU 49 -21.357 21.877 -10.901 223 2HD1 LEU 49 2HD1 LEU 49 -20.501 20.731 -9.870 224 3HD1 LEU 49 3HD1 LEU 49 -21.341 22.105 -9.152 225 1HD2 LEU 49 1HD2 LEU 49 -23.471 22.184 -10.901 226 2HD2 LEU 49 2HD2 LEU 49 -24.572 21.432 -9.747 227 3HD2 LEU 49 3HD2 LEU 49 -24.205 20.623 -11.271 228 H LEU 50 H LEU 50 -21.466 16.646 -11.674 229 HA LEU 50 HA LEU 50 -18.790 16.529 -10.955 230 1HB LEU 50 2HB LEU 50 -20.493 14.573 -12.483 231 2HB LEU 50 3HB LEU 50 -18.861 14.206 -11.927 232 HG LEU 50 HG LEU 50 -21.207 14.878 -10.151 233 1HD1 LEU 50 1HD1 LEU 50 -21.248 12.656 -11.376 234 2HD1 LEU 50 2HD1 LEU 50 -21.345 12.594 -9.616 235 3HD1 LEU 50 3HD1 LEU 50 -19.824 12.226 -10.428 236 1HD2 LEU 50 1HD2 LEU 50 -18.362 14.090 -9.545 237 2HD2 LEU 50 2HD2 LEU 50 -19.667 14.076 -8.358 238 3HD2 LEU 50 3HD2 LEU 50 -19.177 15.593 -9.112 239 H TYR 51 H TYR 51 -20.243 16.992 -14.082 240 HA TYR 51 HA TYR 51 -17.911 16.383 -15.614 241 1HB TYR 51 2HB TYR 51 -20.333 16.395 -16.429 242 2HB TYR 51 3HB TYR 51 -20.190 18.148 -16.501 243 HD1 TYR 51 HD1 TYR 51 -18.000 18.972 -17.809 244 HD2 TYR 51 HD2 TYR 51 -19.928 15.221 -18.369 245 HE1 TYR 51 HE1 TYR 51 -17.005 18.802 -20.052 246 HE2 TYR 51 HE2 TYR 51 -18.937 15.040 -20.612 247 HH TYR 51 HH TYR 51 -17.826 16.145 -22.229 248 H ALA 52 H ALA 52 -19.410 19.386 -14.468 249 HA ALA 52 HA ALA 52 -17.784 21.250 -15.683 250 1HB ALA 52 1HB ALA 52 -19.710 21.260 -13.649 251 2HB ALA 52 2HB ALA 52 -18.286 22.053 -12.973 252 3HB ALA 52 3HB ALA 52 -19.003 22.652 -14.469 253 H LEU 53 H LEU 53 -17.274 19.780 -12.472 254 HA LEU 53 HA LEU 53 -14.759 20.965 -12.025 255 1HB LEU 53 2HB LEU 53 -15.687 18.333 -10.901 256 2HB LEU 53 3HB LEU 53 -14.529 19.459 -10.196 257 HG LEU 53 HG LEU 53 -17.457 20.079 -10.554 258 1HD1 LEU 53 1HD1 LEU 53 -15.995 18.664 -8.387 259 2HD1 LEU 53 2HD1 LEU 53 -17.632 18.421 -8.997 260 3HD1 LEU 53 3HD1 LEU 53 -17.279 19.788 -7.941 261 1HD2 LEU 53 1HD2 LEU 53 -15.748 21.396 -8.531 262 2HD2 LEU 53 2HD2 LEU 53 -17.061 22.050 -9.510 263 3HD2 LEU 53 3HD2 LEU 53 -15.460 21.825 -10.217 264 H ALA 54 H ALA 54 -15.714 17.915 -13.511 265 HA ALA 54 HA ALA 54 -13.183 16.730 -13.702 266 1HB ALA 54 1HB ALA 54 -15.525 16.434 -15.580 267 2HB ALA 54 2HB ALA 54 -14.150 15.336 -15.452 268 3HB ALA 54 3HB ALA 54 -15.267 15.513 -14.099 269 H SER 55 H SER 55 -14.965 18.627 -16.143 270 HA SER 55 HA SER 55 -12.962 18.652 -18.086 271 1HB SER 55 2HB SER 55 -15.011 19.378 -18.893 272 2HB SER 55 3HB SER 55 -15.317 20.405 -17.492 273 HG SER 55 HG SER 55 -14.395 21.163 -19.805 274 H SER 56 H SER 56 -13.378 20.572 -15.207 275 HA SER 56 HA SER 56 -11.691 22.720 -15.804 276 1HB SER 56 2HB SER 56 -13.210 21.992 -13.645 277 2HB SER 56 3HB SER 56 -11.575 21.783 -13.017 278 HG SER 56 HG SER 56 -12.937 24.054 -13.451 279 H GLN 57 H GLN 57 -10.977 19.428 -15.154 280 HA GLN 57 HA GLN 57 -8.119 20.079 -14.863 281 1HB GLN 57 2HB GLN 57 -9.651 17.650 -13.924 282 2HB GLN 57 3HB GLN 57 -7.901 17.804 -13.850 283 1HG GLN 57 2HG GLN 57 -9.576 19.908 -12.583 284 2HG GLN 57 3HG GLN 57 -9.407 18.350 -11.777 285 1HE2 GLN 57 1HE2 GLN 57 -8.330 21.274 -11.513 286 2HE2 GLN 57 2HE2 GLN 57 -6.671 21.019 -11.104 287 HN2 GLY 58 H GLY 58 -9.854 17.122 -15.816 288 1HA GLY 58 2HA GLY 58 -8.255 17.127 -18.302 289 2HA GLY 58 3HA GLY 58 -8.626 15.664 -17.402 290 H ASP 59 H ASP 59 -9.226 15.617 -19.995 291 HA ASP 59 HA ASP 59 -11.879 16.545 -20.556 292 1HB ASP 59 2HB ASP 59 -9.768 15.059 -21.992 293 2HB ASP 59 3HB ASP 59 -11.419 14.676 -22.473 294 H ILE 60 H ILE 60 -13.769 15.346 -20.731 295 HA ILE 60 HA ILE 60 -13.741 12.799 -19.257 296 HB ILE 60 HB ILE 60 -16.066 14.675 -19.704 297 1HG1 ILE 60 2HG1 ILE 60 -15.631 14.667 -17.025 298 2HG1 ILE 60 3HG1 ILE 60 -13.981 14.502 -17.615 299 1HG2 ILE 60 1HG2 ILE 60 -16.458 12.907 -17.525 300 2HG2 ILE 60 2HG2 ILE 60 -17.362 13.005 -19.035 301 3HG2 ILE 60 3HG2 ILE 60 -15.956 11.947 -18.916 302 1HD1 ILE 60 1HD1 ILE 60 -15.682 16.819 -17.537 303 2HD1 ILE 60 2HD1 ILE 60 -13.948 16.701 -17.841 304 3HD1 ILE 60 3HD1 ILE 60 -15.091 16.517 -19.171 305 H LEU 61 H LEU 61 -14.470 10.973 -20.186 306 HA LEU 61 HA LEU 61 -15.323 11.140 -22.984 307 1HB LEU 61 2HB LEU 61 -14.643 8.595 -21.566 308 2HB LEU 61 3HB LEU 61 -14.532 8.975 -23.284 309 HG LEU 61 HG LEU 61 -12.674 9.885 -21.091 310 1HD1 LEU 61 1HD1 LEU 61 -11.109 8.714 -22.892 311 2HD1 LEU 61 2HD1 LEU 61 -12.594 7.819 -23.212 312 3HD1 LEU 61 3HD1 LEU 61 -11.894 7.814 -21.594 313 1HD2 LEU 61 1HD2 LEU 61 -13.110 10.883 -23.848 314 2HD2 LEU 61 2HD2 LEU 61 -11.442 10.695 -23.307 315 3HD2 LEU 61 3HD2 LEU 61 -12.550 11.733 -22.408 316 H ASP 62 H ASP 62 -16.413 10.229 -19.826 317 HA ASP 62 HA ASP 62 -19.116 10.210 -20.511 318 1HB ASP 62 2HB ASP 62 -18.889 8.195 -21.706 319 2HB ASP 62 3HB ASP 62 -17.789 7.510 -20.514 320 H ILE 63 H ILE 63 -20.139 10.686 -18.686 321 HA ILE 63 HA ILE 63 -18.874 9.938 -16.140 322 HB ILE 63 HB ILE 63 -20.939 12.081 -16.656 323 1HG1 ILE 63 2HG1 ILE 63 -17.954 12.286 -16.200 324 2HG1 ILE 63 3HG1 ILE 63 -18.801 12.634 -17.704 325 1HG2 ILE 63 1HG2 ILE 63 -20.509 12.802 -14.395 326 2HG2 ILE 63 2HG2 ILE 63 -20.981 11.103 -14.387 327 3HG2 ILE 63 3HG2 ILE 63 -19.286 11.548 -14.193 328 1HD1 ILE 63 1HD1 ILE 63 -18.900 14.168 -15.128 329 2HD1 ILE 63 2HD1 ILE 63 -18.321 14.709 -16.704 330 3HD1 ILE 63 3HD1 ILE 63 -20.043 14.426 -16.446 331 H VAL 64 H VAL 64 -19.721 8.173 -15.257 332 HA VAL 64 HA VAL 64 -22.550 7.551 -15.678 333 HB VAL 64 HB VAL 64 -20.392 5.851 -14.418 334 1HG1 VAL 64 1HG1 VAL 64 -22.340 4.161 -15.295 335 2HG1 VAL 64 2HG1 VAL 64 -22.176 4.737 -13.635 336 3HG1 VAL 64 3HG1 VAL 64 -23.288 5.542 -14.743 337 1HG2 VAL 64 1HG2 VAL 64 -20.348 4.629 -16.511 338 2HG2 VAL 64 2HG2 VAL 64 -21.577 5.696 -17.189 339 3HG2 VAL 64 3HG2 VAL 64 -19.978 6.329 -16.800 340 H VAL 65 H VAL 65 -23.990 7.206 -13.990 341 HA VAL 65 HA VAL 65 -23.104 7.704 -11.258 342 HB VAL 65 HB VAL 65 -25.311 9.347 -12.507 343 1HG1 VAL 65 1HG1 VAL 65 -24.286 10.311 -10.001 344 2HG1 VAL 65 2HG1 VAL 65 -25.939 9.880 -10.443 345 3HG1 VAL 65 3HG1 VAL 65 -24.836 8.643 -9.838 346 1HG2 VAL 65 1HG2 VAL 65 -23.154 10.081 -13.334 347 2HG2 VAL 65 2HG2 VAL 65 -23.791 11.260 -12.187 348 3HG2 VAL 65 3HG2 VAL 65 -22.518 10.145 -11.690 349 H ASP 66 H ASP 66 -24.180 6.487 -9.828 350 HA ASP 66 HA ASP 66 -25.983 4.502 -10.665 351 1HB ASP 66 2HB ASP 66 -25.598 5.512 -7.841 352 2HB ASP 66 3HB ASP 66 -26.202 3.931 -8.327 353 H LEU 67 H LEU 67 -27.981 4.451 -8.724 354 HA LEU 67 HA LEU 67 -29.804 6.437 -9.827 355 1HB LEU 67 2HB LEU 67 -31.514 5.068 -8.543 356 2HB LEU 67 3HB LEU 67 -30.710 4.286 -9.902 357 HG LEU 67 HG LEU 67 -31.085 2.955 -7.720 358 1HD1 LEU 67 1HD1 LEU 67 -29.716 1.556 -8.755 359 2HD1 LEU 67 2HD1 LEU 67 -28.319 2.489 -8.218 360 3HD1 LEU 67 3HD1 LEU 67 -29.114 2.889 -9.741 361 1HD2 LEU 67 1HD2 LEU 67 -28.580 4.450 -6.961 362 2HD2 LEU 67 2HD2 LEU 67 -29.382 3.176 -6.042 363 3HD2 LEU 67 3HD2 LEU 67 -30.170 4.740 -6.254 364 H SER 68 H SER 68 -27.693 6.934 -7.691 365 HA SER 68 HA SER 68 -27.456 8.091 -5.740 366 1HB SER 68 2HB SER 68 -30.155 9.287 -6.367 367 2HB SER 68 3HB SER 68 -28.799 10.040 -5.528 368 HG SER 68 HG SER 68 -27.988 10.591 -7.383 369 H ASP 69 H ASP 69 -27.904 5.844 -4.802 370 HA ASP 69 HA ASP 69 -30.426 5.443 -3.499 371 1HB ASP 69 2HB ASP 69 -28.082 3.897 -4.026 372 2HB ASP 69 3HB ASP 69 -28.415 3.833 -2.297 373 H ASP 70 H ASP 70 -30.898 5.582 -1.307 374 HA ASP 70 HA ASP 70 -29.557 7.681 0.099 375 1HB ASP 70 2HB ASP 70 -32.079 6.395 0.232 376 2HB ASP 70 3HB ASP 70 -31.324 6.208 1.812 377 H ASN 71 H ASN 71 -28.878 4.447 -0.255 378 HA ASN 71 HA ASN 71 -27.435 4.372 2.314 379 1HB ASN 71 2HB ASN 71 -28.340 1.938 0.774 380 2HB ASN 71 3HB ASN 71 -27.746 2.012 2.430 381 1HD2 ASN 71 1HD2 ASN 71 -29.092 2.829 4.054 382 2HD2 ASN 71 2HD2 ASN 71 -30.805 2.926 3.844 383 H SER 72 H SER 72 -27.147 4.527 -1.013 384 HA SER 72 HA SER 72 -24.401 3.458 -0.908 385 1HB SER 72 2HB SER 72 -25.873 2.132 -2.384 386 2HB SER 72 3HB SER 72 -26.243 3.586 -3.310 387 HG SER 72 HG SER 72 -23.985 2.000 -3.327 388 HN2 GLY 73 H GLY 73 -26.189 5.522 -3.197 389 1HA GLY 73 2HA GLY 73 -25.615 7.521 -4.175 390 2HA GLY 73 3HA GLY 73 -25.079 7.971 -2.563 391 H LYS 74 H LYS 74 -24.105 6.729 -5.676 392 HA LYS 74 HA LYS 74 -21.402 7.673 -5.190 393 1HB LYS 74 2HB LYS 74 -20.348 5.581 -5.894 394 2HB LYS 74 3HB LYS 74 -21.309 5.340 -4.441 395 1HG LYS 74 2HG LYS 74 -23.124 4.739 -6.359 396 2HG LYS 74 3HG LYS 74 -21.626 4.207 -7.128 397 1HD LYS 74 2HD LYS 74 -21.941 3.438 -4.302 398 2HD LYS 74 3HD LYS 74 -23.085 2.693 -5.421 399 1HE LYS 74 2HE LYS 74 -21.513 1.248 -6.026 400 2HE LYS 74 3HE LYS 74 -20.545 2.585 -6.645 401 1HZ LYS 74 1HZ LYS 74 -19.680 0.974 -4.756 402 2HZ LYS 74 2HZ LYS 74 -20.462 2.103 -3.769 403 3HZ LYS 74 3HZ LYS 74 -19.233 2.604 -4.818 404 H ALA 75 H ALA 75 -20.063 7.087 -7.325 405 HA ALA 75 HA ALA 75 -21.515 6.977 -9.763 406 1HB ALA 75 1HB ALA 75 -21.049 9.273 -10.544 407 2HB ALA 75 2HB ALA 75 -22.178 9.226 -9.189 408 3HB ALA 75 3HB ALA 75 -20.497 9.687 -8.921 409 H TYR 76 H TYR 76 -19.990 7.759 -11.639 410 HA TYR 76 HA TYR 76 -17.176 7.327 -10.995 411 1HB TYR 76 2HB TYR 76 -18.354 5.730 -13.242 412 2HB TYR 76 3HB TYR 76 -16.870 5.451 -12.339 413 HD1 TYR 76 HD1 TYR 76 -16.880 4.201 -10.292 414 HD2 TYR 76 HD2 TYR 76 -20.535 5.109 -12.273 415 HE1 TYR 76 HE1 TYR 76 -18.052 2.584 -8.858 416 HE2 TYR 76 HE2 TYR 76 -21.718 3.495 -10.843 417 HH TYR 76 HH TYR 76 -20.056 1.269 -8.821 418 H ILE 77 H ILE 77 -15.924 8.667 -12.117 419 HA ILE 77 HA ILE 77 -17.071 9.976 -14.492 420 HB ILE 77 HB ILE 77 -14.787 11.005 -12.814 421 1HG1 ILE 77 2HG1 ILE 77 -17.727 11.704 -12.654 422 2HG1 ILE 77 3HG1 ILE 77 -16.801 10.846 -11.427 423 1HG2 ILE 77 1HG2 ILE 77 -16.590 12.608 -14.589 424 2HG2 ILE 77 2HG2 ILE 77 -14.970 12.992 -14.009 425 3HG2 ILE 77 3HG2 ILE 77 -15.193 11.753 -15.244 426 1HD1 ILE 77 1HD1 ILE 77 -16.669 12.893 -10.514 427 2HD1 ILE 77 2HD1 ILE 77 -15.328 13.079 -11.645 428 3HD1 ILE 77 3HD1 ILE 77 -16.921 13.716 -12.054 429 H VAL 78 H VAL 78 -16.325 9.157 -16.329 430 HA VAL 78 HA VAL 78 -13.718 7.883 -16.442 431 HB VAL 78 HB VAL 78 -15.684 8.251 -18.701 432 1HG1 VAL 78 1HG1 VAL 78 -14.082 5.854 -18.732 433 2HG1 VAL 78 2HG1 VAL 78 -14.240 7.116 -19.955 434 3HG1 VAL 78 3HG1 VAL 78 -13.065 7.292 -18.651 435 1HG2 VAL 78 1HG2 VAL 78 -15.450 5.932 -16.786 436 2HG2 VAL 78 2HG2 VAL 78 -16.760 7.113 -16.810 437 3HG2 VAL 78 3HG2 VAL 78 -16.526 6.027 -18.180 438 H PHE 79 H PHE 79 -11.923 8.849 -17.113 439 HA PHE 79 HA PHE 79 -12.161 11.433 -18.497 440 1HB PHE 79 2HB PHE 79 -10.040 10.290 -16.690 441 2HB PHE 79 3HB PHE 79 -9.718 11.674 -17.730 442 HD1 PHE 79 HD1 PHE 79 -10.903 13.797 -17.369 443 HD2 PHE 79 HD2 PHE 79 -11.356 10.497 -14.719 444 HE1 PHE 79 HE1 PHE 79 -11.852 15.299 -15.667 445 HE2 PHE 79 HE2 PHE 79 -12.307 11.993 -13.013 446 HZ PHE 79 HZ PHE 79 -12.557 14.397 -13.486 447 H ALA 80 H ALA 80 -9.964 11.858 -19.771 448 HA ALA 80 HA ALA 80 -10.024 10.148 -22.010 449 1HB ALA 80 1HB ALA 80 -8.405 12.483 -21.166 450 2HB ALA 80 2HB ALA 80 -7.753 11.462 -22.449 451 3HB ALA 80 3HB ALA 80 -9.335 12.219 -22.641 452 H THR 81 H THR 81 -7.707 10.475 -19.346 453 HA THR 81 HA THR 81 -6.910 7.735 -19.595 454 HB THR 81 HB THR 81 -4.452 9.258 -19.764 455 HG1 THR 81 HG1 THR 81 -4.700 10.198 -21.697 456 1HG2 THR 81 1HG2 THR 81 -5.114 6.728 -20.187 457 2HG2 THR 81 2HG2 THR 81 -3.762 7.479 -21.034 458 3HG2 THR 81 3HG2 THR 81 -5.321 7.309 -21.839 459 H GLN 82 H GLN 82 -5.145 7.201 -17.999 460 HA GLN 82 HA GLN 82 -5.825 8.004 -15.449 461 1HB GLN 82 2HB GLN 82 -4.214 6.093 -16.427 462 2HB GLN 82 3HB GLN 82 -2.992 7.235 -15.883 463 1HG GLN 82 2HG GLN 82 -5.027 6.855 -13.876 464 2HG GLN 82 3HG GLN 82 -4.306 5.321 -14.359 465 1HE2 GLN 82 1HE2 GLN 82 -3.234 8.644 -13.703 466 2HE2 GLN 82 2HE2 GLN 82 -1.881 8.196 -12.728 467 H GLU 83 H GLU 83 -3.615 9.481 -17.703 468 HA GLU 83 HA GLU 83 -2.108 11.074 -15.990 469 1HB GLU 83 2HB GLU 83 -3.057 11.588 -18.810 470 2HB GLU 83 3HB GLU 83 -1.906 12.620 -17.973 471 1HG GLU 83 2HG GLU 83 -0.343 10.786 -17.787 472 2HG GLU 83 3HG GLU 83 -1.508 9.689 -18.527 473 H SER 84 H SER 84 -5.134 11.904 -17.680 474 HA SER 84 HA SER 84 -5.398 14.416 -16.349 475 1HB SER 84 2HB SER 84 -6.865 12.896 -18.374 476 2HB SER 84 3HB SER 84 -7.923 13.793 -17.285 477 HG SER 84 HG SER 84 -6.279 15.573 -17.770 478 H ALA 85 H ALA 85 -6.909 11.234 -15.961 479 HA ALA 85 HA ALA 85 -8.789 11.826 -14.022 480 1HB ALA 85 1HB ALA 85 -7.821 9.526 -15.212 481 2HB ALA 85 2HB ALA 85 -7.477 9.294 -13.497 482 3HB ALA 85 3HB ALA 85 -9.125 9.625 -14.028 483 H GLN 86 H GLN 86 -5.446 10.702 -13.477 484 HA GLN 86 HA GLN 86 -5.439 10.827 -10.709 485 1HB GLN 86 2HB GLN 86 -3.616 9.779 -11.845 486 2HB GLN 86 3HB GLN 86 -3.213 11.264 -12.698 487 1HG GLN 86 2HG GLN 86 -2.233 12.222 -10.845 488 2HG GLN 86 3HG GLN 86 -3.112 11.190 -9.718 489 1HE2 GLN 86 1HE2 GLN 86 -0.557 11.218 -12.137 490 2HE2 GLN 86 2HE2 GLN 86 0.330 9.888 -11.482 491 H ALA 87 H ALA 87 -4.897 13.381 -13.073 492 HA ALA 87 HA ALA 87 -3.994 15.368 -11.299 493 1HB ALA 87 1HB ALA 87 -4.527 16.950 -13.050 494 2HB ALA 87 2HB ALA 87 -3.788 15.509 -13.750 495 3HB ALA 87 3HB ALA 87 -5.531 15.750 -13.865 496 H PHE 88 H PHE 88 -7.258 14.664 -12.530 497 HA PHE 88 HA PHE 88 -8.531 16.712 -11.036 498 1HB PHE 88 2HB PHE 88 -9.670 15.903 -12.962 499 2HB PHE 88 3HB PHE 88 -9.565 14.235 -12.410 500 HD1 PHE 88 HD1 PHE 88 -11.066 13.388 -10.711 501 HD2 PHE 88 HD2 PHE 88 -11.330 17.411 -12.075 502 HE1 PHE 88 HE1 PHE 88 -13.288 13.591 -9.673 503 HE2 PHE 88 HE2 PHE 88 -13.551 17.621 -11.038 504 HZ PHE 88 HZ PHE 88 -14.533 15.710 -9.834 505 H VAL 89 H VAL 89 -7.877 13.307 -10.434 506 HA VAL 89 HA VAL 89 -9.481 13.013 -8.134 507 HB VAL 89 HB VAL 89 -6.963 11.541 -8.920 508 1HG1 VAL 89 1HG1 VAL 89 -8.784 11.283 -6.606 509 2HG1 VAL 89 2HG1 VAL 89 -8.284 9.785 -7.393 510 3HG1 VAL 89 3HG1 VAL 89 -7.071 10.894 -6.752 511 1HG2 VAL 89 1HG2 VAL 89 -9.487 11.546 -10.094 512 2HG2 VAL 89 2HG2 VAL 89 -8.207 10.357 -10.338 513 3HG2 VAL 89 3HG2 VAL 89 -9.447 10.080 -9.114 514 H GLU 90 H GLU 90 -6.123 14.026 -8.576 515 HA GLU 90 HA GLU 90 -5.680 14.276 -5.730 516 1HB GLU 90 2HB GLU 90 -3.453 14.862 -6.267 517 2HB GLU 90 3HB GLU 90 -3.909 13.622 -7.427 518 1HG GLU 90 2HG GLU 90 -4.318 15.332 -9.112 519 2HG GLU 90 3HG GLU 90 -3.887 16.586 -7.950 520 H ALA 91 H ALA 91 -6.662 16.294 -8.371 521 HA ALA 91 HA ALA 91 -6.082 18.795 -7.104 522 1HB ALA 91 1HB ALA 91 -7.578 17.955 -9.545 523 2HB ALA 91 2HB ALA 91 -7.775 19.595 -8.924 524 3HB ALA 91 3HB ALA 91 -6.177 19.015 -9.393 525 H PHE 92 H PHE 92 -8.606 16.488 -6.861 526 HA PHE 92 HA PHE 92 -10.159 18.376 -5.222 527 1HB PHE 92 2HB PHE 92 -11.173 16.365 -7.227 528 2HB PHE 92 3HB PHE 92 -12.201 17.038 -5.966 529 HD1 PHE 92 HD1 PHE 92 -13.440 18.907 -6.455 530 HD2 PHE 92 HD2 PHE 92 -9.871 18.165 -8.651 531 HE1 PHE 92 HE1 PHE 92 -13.917 20.854 -7.882 532 HE2 PHE 92 HE2 PHE 92 -10.341 20.111 -10.081 533 HZ PHE 92 HZ PHE 92 -12.366 21.459 -9.697 534 H GLN 93 H GLN 93 -8.190 15.906 -4.988 535 HA GLN 93 HA GLN 93 -9.382 13.782 -3.742 536 1HB GLN 93 2HB GLN 93 -7.057 13.653 -4.117 537 2HB GLN 93 3HB GLN 93 -6.746 15.137 -3.227 538 1HG GLN 93 2HG GLN 93 -6.012 13.191 -1.978 539 2HG GLN 93 3HG GLN 93 -7.320 14.027 -1.142 540 1HE2 GLN 93 1HE2 GLN 93 -8.307 12.462 -0.046 541 2HE2 GLN 93 2HE2 GLN 93 -8.944 11.011 -0.732 542 HN2 GLY 94 H GLY 94 -8.770 16.980 -2.432 543 1HA GLY 94 2HA GLY 94 -10.376 16.228 -0.078 544 2HA GLY 94 3HA GLY 94 -8.870 17.111 0.125 545 H TYR 95 H TYR 95 -11.808 17.358 -1.886 546 HA TYR 95 HA TYR 95 -11.950 20.201 -1.130 547 1HB TYR 95 2HB TYR 95 -11.175 20.074 -3.425 548 2HB TYR 95 3HB TYR 95 -12.491 18.983 -3.845 549 HD1 TYR 95 HD1 TYR 95 -11.498 22.433 -3.360 550 HD2 TYR 95 HD2 TYR 95 -14.827 19.840 -3.912 551 HE1 TYR 95 HE1 TYR 95 -12.894 24.364 -3.968 552 HE2 TYR 95 HE2 TYR 95 -16.231 21.764 -4.523 553 HH TYR 95 HH TYR 95 -15.124 25.039 -4.155 554 HA PRO 96 HA PRO 96 -16.025 19.186 0.228 555 1HB PRO 96 2HB PRO 96 -16.991 21.716 0.430 556 2HB PRO 96 3HB PRO 96 -15.853 21.026 1.593 557 1HG PRO 96 2HG PRO 96 -15.325 22.855 -0.718 558 2HG PRO 96 3HG PRO 96 -14.660 22.908 0.925 559 1HD PRO 96 2HD PRO 96 -13.282 21.891 -1.172 560 2HD PRO 96 3HD PRO 96 -13.099 21.271 0.482 561 H PHE 97 H PHE 97 -17.137 18.195 -1.397 562 HA PHE 97 HA PHE 97 -18.549 19.959 -3.277 563 1HB PHE 97 2HB PHE 97 -16.811 18.938 -4.585 564 2HB PHE 97 3HB PHE 97 -17.172 17.348 -3.922 565 HD1 PHE 97 HD1 PHE 97 -18.746 20.092 -5.884 566 HD2 PHE 97 HD2 PHE 97 -18.536 15.913 -5.103 567 HE1 PHE 97 HE1 PHE 97 -20.286 19.669 -7.756 568 HE2 PHE 97 HE2 PHE 97 -20.075 15.483 -6.974 569 HZ PHE 97 HZ PHE 97 -20.951 17.361 -8.304 570 H GLN 98 H GLN 98 -20.635 19.322 -3.847 571 HA GLN 98 HA GLN 98 -22.709 18.479 -3.432 572 1HB GLN 98 2HB GLN 98 -20.992 16.321 -4.016 573 2HB GLN 98 3HB GLN 98 -22.003 15.794 -2.677 574 1HG GLN 98 2HG GLN 98 -22.850 16.701 -5.405 575 2HG GLN 98 3HG GLN 98 -23.130 15.144 -4.627 576 1HE2 GLN 98 1HE2 GLN 98 -24.621 15.062 -2.860 577 2HE2 GLN 98 2HE2 GLN 98 -25.908 16.210 -2.758 578 HN2 GLY 99 H GLY 99 -21.108 19.533 -1.170 579 1HA GLY 99 2HA GLY 99 -22.540 19.738 0.930 580 2HA GLY 99 3HA GLY 99 -22.312 17.999 1.044 581 H ASN 100 H ASN 100 -19.838 17.410 0.794 582 HA ASN 100 HA ASN 100 -17.844 19.147 1.650 583 1HB ASN 100 2HB ASN 100 -18.610 19.521 3.770 584 2HB ASN 100 3HB ASN 100 -19.512 18.009 3.826 585 1HD2 ASN 100 1HD2 ASN 100 -18.803 17.018 5.587 586 2HD2 ASN 100 2HD2 ASN 100 -17.147 16.688 5.954 587 HA PRO 101 HA PRO 101 -16.374 14.608 2.404 588 1HB PRO 101 2HB PRO 101 -18.246 12.648 2.253 589 2HB PRO 101 3HB PRO 101 -17.854 13.487 3.758 590 1HG PRO 101 2HG PRO 101 -20.131 13.948 1.871 591 2HG PRO 101 3HG PRO 101 -20.138 13.907 3.644 592 1HD PRO 101 2HD PRO 101 -20.137 16.223 2.240 593 2HD PRO 101 3HD PRO 101 -19.346 16.065 3.821 594 H LEU 102 H LEU 102 -15.355 14.716 0.442 595 HA LEU 102 HA LEU 102 -16.751 13.445 -1.815 596 1HB LEU 102 2HB LEU 102 -16.694 15.762 -2.339 597 2HB LEU 102 3HB LEU 102 -15.008 15.897 -1.843 598 HG LEU 102 HG LEU 102 -14.478 14.345 -3.793 599 1HD1 LEU 102 1HD1 LEU 102 -16.701 15.166 -5.381 600 2HD1 LEU 102 2HD1 LEU 102 -17.291 14.301 -3.962 601 3HD1 LEU 102 3HD1 LEU 102 -16.121 13.536 -5.037 602 1HD2 LEU 102 1HD2 LEU 102 -15.166 16.441 -5.393 603 2HD2 LEU 102 2HD2 LEU 102 -13.729 16.377 -4.372 604 3HD2 LEU 102 3HD2 LEU 102 -15.185 17.187 -3.794 605 H VAL 103 H VAL 103 -15.752 11.659 -2.444 606 HA VAL 103 HA VAL 103 -12.846 11.437 -1.994 607 HB VAL 103 HB VAL 103 -13.975 8.856 -2.360 608 1HG1 VAL 103 1HG1 VAL 103 -13.079 9.970 0.273 609 2HG1 VAL 103 2HG1 VAL 103 -12.837 8.354 -0.394 610 3HG1 VAL 103 3HG1 VAL 103 -11.934 9.723 -1.044 611 1HG2 VAL 103 1HG2 VAL 103 -15.488 8.746 -0.420 612 2HG2 VAL 103 2HG2 VAL 103 -15.399 10.501 -0.268 613 3HG2 VAL 103 3HG2 VAL 103 -16.122 9.776 -1.704 614 H ILE 104 H ILE 104 -11.565 10.813 -3.658 615 HA ILE 104 HA ILE 104 -12.846 9.967 -6.162 616 HB ILE 104 HB ILE 104 -10.831 11.420 -7.177 617 1HG1 ILE 104 2HG1 ILE 104 -10.443 12.182 -4.698 618 2HG1 ILE 104 3HG1 ILE 104 -10.330 13.356 -6.005 619 1HG2 ILE 104 1HG2 ILE 104 -12.976 11.670 -8.059 620 2HG2 ILE 104 2HG2 ILE 104 -13.649 12.201 -6.519 621 3HG2 ILE 104 3HG2 ILE 104 -12.589 13.273 -7.434 622 1HD1 ILE 104 1HD1 ILE 104 -11.692 13.851 -3.813 623 2HD1 ILE 104 2HD1 ILE 104 -12.240 14.427 -5.388 624 3HD1 ILE 104 3HD1 ILE 104 -12.958 12.980 -4.680 625 H THR 105 H THR 105 -11.958 8.173 -6.926 626 HA THR 105 HA THR 105 -9.095 7.705 -6.604 627 HB THR 105 HB THR 105 -9.680 5.262 -5.986 628 HG1 THR 105 HG1 THR 105 -11.687 4.874 -5.424 629 1HG2 THR 105 1HG2 THR 105 -8.849 5.839 -3.998 630 2HG2 THR 105 2HG2 THR 105 -10.325 6.706 -3.573 631 3HG2 THR 105 3HG2 THR 105 -9.048 7.526 -4.471 632 H PHE 106 H PHE 106 -8.405 5.722 -7.852 633 HA PHE 106 HA PHE 106 -9.626 5.837 -10.472 634 1HB PHE 106 2HB PHE 106 -7.281 4.146 -9.594 635 2HB PHE 106 3HB PHE 106 -7.711 4.604 -11.239 636 HD1 PHE 106 HD1 PHE 106 -6.096 5.635 -8.157 637 HD2 PHE 106 HD2 PHE 106 -7.354 6.899 -12.021 638 HE1 PHE 106 HE1 PHE 106 -4.644 7.613 -7.978 639 HE2 PHE 106 HE2 PHE 106 -5.904 8.879 -11.850 640 HZ PHE 106 HZ PHE 106 -4.546 9.238 -9.827 641 H SER 107 H SER 107 -9.976 3.788 -11.705 642 HA SER 107 HA SER 107 -10.987 1.623 -9.988 643 1HB SER 107 2HB SER 107 -12.541 3.388 -11.632 644 2HB SER 107 3HB SER 107 -12.644 1.753 -12.285 645 HG SER 107 HG SER 107 -13.084 2.423 -9.562 646 H GLU 108 H GLU 108 -11.806 -0.194 -11.735 647 HA GLU 108 HA GLU 108 -9.348 -0.890 -13.151 648 1HB GLU 108 2HB GLU 108 -11.766 -2.645 -12.737 649 2HB GLU 108 3HB GLU 108 -10.130 -3.142 -13.145 650 1HG GLU 108 2HG GLU 108 -9.497 -2.081 -10.874 651 2HG GLU 108 3HG GLU 108 -11.220 -2.212 -10.525 652 H THR 109 H THR 109 -9.277 -1.436 -15.323 653 HA THR 109 HA THR 109 -11.701 -0.928 -16.905 654 HB THR 109 HB THR 109 -10.355 0.283 -18.590 655 HG1 THR 109 HG1 THR 109 -8.254 0.386 -18.381 656 1HG2 THR 109 1HG2 THR 109 -10.364 1.432 -15.800 657 2HG2 THR 109 2HG2 THR 109 -11.606 1.618 -17.038 658 3HG2 THR 109 3HG2 THR 109 -10.027 2.373 -17.253 659 HA PRO 110 HA PRO 110 -9.496 -4.867 -18.103 660 1HB PRO 110 2HB PRO 110 -11.697 -6.448 -17.939 661 2HB PRO 110 3HB PRO 110 -10.646 -6.118 -16.557 662 1HG PRO 110 2HG PRO 110 -13.262 -4.861 -17.290 663 2HG PRO 110 3HG PRO 110 -12.682 -5.392 -15.701 664 1HD PRO 110 2HD PRO 110 -12.638 -2.798 -16.476 665 2HD PRO 110 3HD PRO 110 -11.419 -3.490 -15.386 666 H GLN 111 H GLN 111 -10.287 -6.447 -19.864 667 HA GLN 111 HA GLN 111 -12.268 -5.606 -21.706 668 1HB GLN 111 2HB GLN 111 -9.798 -4.240 -21.908 669 2HB GLN 111 3HB GLN 111 -9.872 -5.358 -23.263 670 1HG GLN 111 2HG GLN 111 -12.092 -4.430 -23.846 671 2HG GLN 111 3HG GLN 111 -11.891 -3.242 -22.559 672 1HE2 GLN 111 1HE2 GLN 111 -12.325 -2.212 -24.927 673 2HE2 GLN 111 2HE2 GLN 111 -10.887 -1.573 -25.637 674 H SER 112 H SER 112 -9.176 -7.296 -21.333 675 HA SER 112 HA SER 112 -9.551 -9.171 -23.393 676 1HB SER 112 2HB SER 112 -7.847 -9.095 -20.923 677 2HB SER 112 3HB SER 112 -7.924 -10.565 -21.893 678 HG SER 112 HG SER 112 -7.331 -8.022 -22.989 679 H GLN 113 H GLN 113 -10.812 -8.983 -20.171 680 HA GLN 113 HA GLN 113 -11.425 -11.613 -19.599 681 1HB GLN 113 2HB GLN 113 -13.199 -10.764 -18.175 682 2HB GLN 113 3HB GLN 113 -11.783 -9.730 -18.046 683 1HG GLN 113 2HG GLN 113 -12.806 -8.098 -19.513 684 2HG GLN 113 3HG GLN 113 -14.205 -9.147 -19.735 685 1HE2 GLN 113 1HE2 GLN 113 -15.738 -7.853 -18.871 686 2HE2 GLN 113 2HE2 GLN 113 -15.772 -7.362 -17.215 687 H VAL 114 H VAL 114 -12.915 -9.452 -21.888 688 HA VAL 114 HA VAL 114 -15.376 -10.625 -22.308 689 HB VAL 114 HB VAL 114 -15.329 -9.733 -24.558 690 1HG1 VAL 114 1HG1 VAL 114 -13.977 -7.455 -23.664 691 2HG1 VAL 114 2HG1 VAL 114 -15.704 -7.792 -23.541 692 3HG1 VAL 114 3HG1 VAL 114 -14.624 -8.221 -22.214 693 1HG2 VAL 114 1HG2 VAL 114 -12.410 -9.929 -24.168 694 2HG2 VAL 114 2HG2 VAL 114 -13.377 -10.141 -25.628 695 3HG2 VAL 114 3HG2 VAL 114 -12.985 -8.519 -25.058 696 H ALA 115 H ALA 115 -12.214 -11.760 -23.242 697 HA ALA 115 HA ALA 115 -13.040 -13.673 -25.162 698 1HB ALA 115 1HB ALA 115 -10.551 -13.210 -23.584 699 2HB ALA 115 2HB ALA 115 -10.751 -14.726 -24.465 700 3HB ALA 115 3HB ALA 115 -10.799 -13.190 -25.330 701 H GLU 116 H GLU 116 -12.591 -13.787 -21.667 702 HA GLU 116 HA GLU 116 -12.886 -16.594 -21.399 703 1HB GLU 116 2HB GLU 116 -12.341 -14.421 -19.698 704 2HB GLU 116 3HB GLU 116 -13.805 -15.164 -19.069 705 1HG GLU 116 2HG GLU 116 -12.205 -17.330 -19.575 706 2HG GLU 116 3HG GLU 116 -11.054 -16.113 -19.026 707 H ASP 117 H ASP 117 -15.148 -13.904 -21.403 708 HA ASP 117 HA ASP 117 -17.341 -15.756 -21.827 709 1HB ASP 117 2HB ASP 117 -18.717 -14.922 -20.024 710 2HB ASP 117 3HB ASP 117 -17.196 -15.502 -19.352 Start of MODEL 20 1 H THR 22 H THR 22 -9.037 -5.829 -2.572 2 HA THR 22 HA THR 22 -6.359 -6.700 -2.914 3 HB THR 22 HB THR 22 -7.336 -7.783 -5.041 4 HG1 THR 22 HG1 THR 22 -9.243 -6.996 -5.523 5 1HG2 THR 22 1HG2 THR 22 -8.952 -9.160 -3.324 6 2HG2 THR 22 2HG2 THR 22 -7.843 -8.361 -2.210 7 3HG2 THR 22 3HG2 THR 22 -7.214 -9.404 -3.485 8 HA PRO 23 HA PRO 23 -5.942 -2.925 -5.622 9 1HB PRO 23 2HB PRO 23 -3.565 -2.132 -4.577 10 2HB PRO 23 3HB PRO 23 -5.123 -1.646 -3.898 11 1HG PRO 23 2HG PRO 23 -3.259 -3.811 -3.004 12 2HG PRO 23 3HG PRO 23 -4.155 -2.633 -2.028 13 1HD PRO 23 2HD PRO 23 -4.982 -5.192 -2.345 14 2HD PRO 23 3HD PRO 23 -6.115 -3.840 -2.143 15 HA PRO 24 HA PRO 24 -3.407 -5.711 -8.115 16 1HB PRO 24 2HB PRO 24 -4.006 -4.505 -10.473 17 2HB PRO 24 3HB PRO 24 -5.087 -5.657 -9.680 18 1HG PRO 24 2HG PRO 24 -5.175 -2.665 -9.676 19 2HG PRO 24 3HG PRO 24 -6.506 -3.823 -9.855 20 1HD PRO 24 2HD PRO 24 -5.971 -2.570 -7.515 21 2HD PRO 24 3HD PRO 24 -6.639 -4.213 -7.587 22 H HIS 25 H HIS 25 -3.541 -2.196 -8.724 23 HA HIS 25 HA HIS 25 -1.915 -0.649 -9.096 24 1HB HIS 25 2HB HIS 25 -0.820 -2.478 -7.177 25 2HB HIS 25 3HB HIS 25 0.461 -1.942 -8.260 26 HD1 HIS 25 HD1 HIS 25 -2.416 -0.136 -6.524 27 HD2 HIS 25 HD2 HIS 25 1.678 0.190 -7.157 28 HE1 HIS 25 HE1 HIS 25 -1.724 1.987 -5.368 29 H THR 26 H THR 26 0.090 -0.216 -10.356 30 HA THR 26 HA THR 26 1.258 -0.365 -12.304 31 HB THR 26 HB THR 26 1.351 -3.264 -12.546 32 HG1 THR 26 HG1 THR 26 2.386 -2.198 -10.125 33 1HG2 THR 26 1HG2 THR 26 3.156 -2.307 -13.542 34 2HG2 THR 26 2HG2 THR 26 3.853 -2.514 -11.935 35 3HG2 THR 26 3HG2 THR 26 3.194 -0.951 -12.416 36 H GLU 27 H GLU 27 -1.684 -0.482 -12.353 37 HA GLU 27 HA GLU 27 -1.972 -1.616 -15.048 38 1HB GLU 27 2HB GLU 27 -4.390 -2.152 -14.333 39 2HB GLU 27 3HB GLU 27 -3.108 -3.234 -13.806 40 1HG GLU 27 2HG GLU 27 -3.514 -2.833 -11.660 41 2HG GLU 27 3HG GLU 27 -3.582 -1.090 -11.914 42 HA PRO 28 HA PRO 28 -3.782 2.215 -16.184 43 1HB PRO 28 2HB PRO 28 -5.634 1.436 -18.009 44 2HB PRO 28 3HB PRO 28 -3.896 1.402 -18.330 45 1HG PRO 28 2HG PRO 28 -5.718 -0.833 -17.526 46 2HG PRO 28 3HG PRO 28 -4.428 -0.824 -18.742 47 1HD PRO 28 2HD PRO 28 -4.090 -1.871 -16.268 48 2HD PRO 28 3HD PRO 28 -2.768 -1.098 -17.166 49 H SER 29 H SER 29 -5.583 3.559 -15.898 50 HA SER 29 HA SER 29 -8.054 2.435 -14.870 51 1HB SER 29 2HB SER 29 -7.426 4.511 -13.046 52 2HB SER 29 3HB SER 29 -7.614 2.792 -12.704 53 HG SER 29 HG SER 29 -5.569 3.438 -12.061 54 H GLN 30 H GLN 30 -9.036 3.352 -16.675 55 HA GLN 30 HA GLN 30 -8.836 6.232 -17.064 56 1HB GLN 30 2HB GLN 30 -10.549 4.322 -18.643 57 2HB GLN 30 3HB GLN 30 -9.957 5.904 -19.131 58 1HG GLN 30 2HG GLN 30 -7.622 4.893 -18.949 59 2HG GLN 30 3HG GLN 30 -8.440 3.332 -18.896 60 1HE2 GLN 30 1HE2 GLN 30 -6.900 3.334 -20.879 61 2HE2 GLN 30 2HE2 GLN 30 -7.654 3.726 -22.383 62 H VAL 31 H VAL 31 -10.350 4.618 -14.854 63 HA VAL 31 HA VAL 31 -12.735 6.326 -14.946 64 HB VAL 31 HB VAL 31 -14.176 4.559 -14.160 65 1HG1 VAL 31 1HG1 VAL 31 -13.179 4.749 -16.705 66 2HG1 VAL 31 2HG1 VAL 31 -12.990 3.031 -16.346 67 3HG1 VAL 31 3HG1 VAL 31 -14.578 3.790 -16.221 68 1HG2 VAL 31 1HG2 VAL 31 -12.845 3.192 -12.819 69 2HG2 VAL 31 2HG2 VAL 31 -13.217 2.172 -14.208 70 3HG2 VAL 31 3HG2 VAL 31 -11.642 2.956 -14.087 71 H VAL 32 H VAL 32 -13.492 7.027 -12.954 72 HA VAL 32 HA VAL 32 -11.851 6.300 -10.617 73 HB VAL 32 HB VAL 32 -11.851 8.563 -9.838 74 1HG1 VAL 32 1HG1 VAL 32 -10.571 9.688 -11.601 75 2HG1 VAL 32 2HG1 VAL 32 -10.098 7.997 -11.430 76 3HG1 VAL 32 3HG1 VAL 32 -11.136 8.492 -12.768 77 1HG2 VAL 32 1HG2 VAL 32 -14.008 8.860 -11.772 78 2HG2 VAL 32 2HG2 VAL 32 -13.659 9.789 -10.315 79 3HG2 VAL 32 3HG2 VAL 32 -12.842 10.182 -11.828 80 H LEU 33 H LEU 33 -12.901 6.068 -8.682 81 HA LEU 33 HA LEU 33 -15.839 6.165 -8.804 82 1HB LEU 33 2HB LEU 33 -15.374 3.980 -8.321 83 2HB LEU 33 3HB LEU 33 -13.891 4.375 -7.454 84 HG LEU 33 HG LEU 33 -15.176 5.065 -5.514 85 1HD1 LEU 33 1HD1 LEU 33 -17.756 4.070 -6.184 86 2HD1 LEU 33 2HD1 LEU 33 -17.287 5.275 -7.383 87 3HD1 LEU 33 3HD1 LEU 33 -17.294 5.693 -5.670 88 1HD2 LEU 33 1HD2 LEU 33 -14.729 2.872 -5.172 89 2HD2 LEU 33 2HD2 LEU 33 -15.470 2.367 -6.690 90 3HD2 LEU 33 3HD2 LEU 33 -16.483 2.742 -5.295 91 H ILE 34 H ILE 34 -16.857 7.642 -7.631 92 HA ILE 34 HA ILE 34 -15.405 8.897 -5.394 93 HB ILE 34 HB ILE 34 -16.759 10.901 -5.759 94 1HG1 ILE 34 2HG1 ILE 34 -18.532 9.280 -7.021 95 2HG1 ILE 34 3HG1 ILE 34 -18.517 11.032 -7.184 96 1HG2 ILE 34 1HG2 ILE 34 -15.798 11.551 -7.978 97 2HG2 ILE 34 2HG2 ILE 34 -14.638 10.862 -6.843 98 3HG2 ILE 34 3HG2 ILE 34 -15.266 9.880 -8.166 99 1HD1 ILE 34 1HD1 ILE 34 -18.689 9.740 -9.321 100 2HD1 ILE 34 2HD1 ILE 34 -17.374 10.914 -9.251 101 3HD1 ILE 34 3HD1 ILE 34 -17.035 9.196 -9.041 102 H THR 35 H THR 35 -16.580 9.450 -3.513 103 HA THR 35 HA THR 35 -19.284 8.377 -3.246 104 HB THR 35 HB THR 35 -18.812 7.057 -1.312 105 HG1 THR 35 HG1 THR 35 -16.578 6.884 -0.583 106 1HG2 THR 35 1HG2 THR 35 -17.232 5.367 -2.206 107 2HG2 THR 35 2HG2 THR 35 -16.772 6.508 -3.470 108 3HG2 THR 35 3HG2 THR 35 -18.423 5.891 -3.396 109 H ASN 36 H ASN 36 -19.766 8.684 -0.639 110 HA ASN 36 HA ASN 36 -20.244 10.192 0.996 111 1HB ASN 36 2HB ASN 36 -17.551 10.416 0.653 112 2HB ASN 36 3HB ASN 36 -18.066 12.070 0.334 113 1HD2 ASN 36 1HD2 ASN 36 -20.136 12.410 2.032 114 2HD2 ASN 36 2HD2 ASN 36 -19.601 12.273 3.669 115 H ILE 37 H ILE 37 -21.431 10.477 -1.572 116 HA ILE 37 HA ILE 37 -21.684 13.397 -1.835 117 HB ILE 37 HB ILE 37 -22.833 12.847 -4.016 118 1HG1 ILE 37 2HG1 ILE 37 -21.561 10.134 -3.635 119 2HG1 ILE 37 3HG1 ILE 37 -23.270 10.442 -3.346 120 1HG2 ILE 37 1HG2 ILE 37 -19.957 11.997 -3.694 121 2HG2 ILE 37 2HG2 ILE 37 -20.730 12.456 -5.211 122 3HG2 ILE 37 3HG2 ILE 37 -20.537 13.647 -3.925 123 1HD1 ILE 37 1HD1 ILE 37 -21.775 10.254 -5.885 124 2HD1 ILE 37 2HD1 ILE 37 -23.406 9.718 -5.480 125 3HD1 ILE 37 3HD1 ILE 37 -23.094 11.422 -5.811 126 H ASN 38 H ASN 38 -23.577 14.396 -1.440 127 HA ASN 38 HA ASN 38 -25.635 12.956 -0.074 128 1HB ASN 38 2HB ASN 38 -24.818 15.661 -0.311 129 2HB ASN 38 3HB ASN 38 -26.499 15.583 -0.831 130 1HD2 ASN 38 1HD2 ASN 38 -24.286 15.153 1.801 131 2HD2 ASN 38 2HD2 ASN 38 -25.473 15.047 3.052 132 HA PRO 39 HA PRO 39 -27.878 11.865 -3.766 133 1HB PRO 39 2HB PRO 39 -29.940 10.650 -2.485 134 2HB PRO 39 3HB PRO 39 -28.360 9.887 -2.702 135 1HG PRO 39 2HG PRO 39 -29.471 11.295 -0.305 136 2HG PRO 39 3HG PRO 39 -28.546 9.785 -0.386 137 1HD PRO 39 2HD PRO 39 -27.417 12.150 0.296 138 2HD PRO 39 3HD PRO 39 -26.528 10.884 -0.575 139 H GLU 40 H GLU 40 -28.703 14.094 -1.371 140 HA GLU 40 HA GLU 40 -31.365 14.685 -1.790 141 1HB GLU 40 2HB GLU 40 -28.989 16.329 -1.024 142 2HB GLU 40 3HB GLU 40 -30.508 17.145 -1.369 143 1HG GLU 40 2HG GLU 40 -31.424 15.289 0.300 144 2HG GLU 40 3HG GLU 40 -29.765 15.386 0.888 145 H VAL 41 H VAL 41 -28.632 15.301 -3.851 146 HA VAL 41 HA VAL 41 -30.201 17.012 -5.622 147 HB VAL 41 HB VAL 41 -27.916 17.714 -5.198 148 1HG1 VAL 41 1HG1 VAL 41 -26.902 15.581 -4.690 149 2HG1 VAL 41 2HG1 VAL 41 -27.132 15.041 -6.354 150 3HG1 VAL 41 3HG1 VAL 41 -26.014 16.358 -6.000 151 1HG2 VAL 41 1HG2 VAL 41 -28.775 18.306 -7.347 152 2HG2 VAL 41 2HG2 VAL 41 -27.097 17.808 -7.562 153 3HG2 VAL 41 3HG2 VAL 41 -28.405 16.708 -7.997 154 HA PRO 42 HA PRO 42 -31.346 13.616 -8.212 155 1HB PRO 42 2HB PRO 42 -32.166 15.066 -10.355 156 2HB PRO 42 3HB PRO 42 -33.114 14.926 -8.870 157 1HG PRO 42 2HG PRO 42 -31.310 17.142 -9.763 158 2HG PRO 42 3HG PRO 42 -32.910 17.238 -9.003 159 1HD PRO 42 2HD PRO 42 -30.613 17.604 -7.616 160 2HD PRO 42 3HD PRO 42 -32.065 16.887 -6.888 161 H LYS 43 H LYS 43 -30.394 12.390 -9.762 162 HA LYS 43 HA LYS 43 -27.784 12.724 -10.520 163 1HB LYS 43 2HB LYS 43 -28.738 10.586 -10.815 164 2HB LYS 43 3HB LYS 43 -30.037 11.212 -11.823 165 1HG LYS 43 2HG LYS 43 -28.609 11.502 -13.668 166 2HG LYS 43 3HG LYS 43 -27.161 11.309 -12.677 167 1HD LYS 43 2HD LYS 43 -27.916 8.955 -12.215 168 2HD LYS 43 3HD LYS 43 -29.170 9.194 -13.434 169 1HE LYS 43 2HE LYS 43 -26.378 9.853 -14.189 170 2HE LYS 43 3HE LYS 43 -26.789 8.148 -14.010 171 1HZ LYS 43 1HZ LYS 43 -27.469 9.961 -16.104 172 2HZ LYS 43 2HZ LYS 43 -28.845 9.210 -15.470 173 3HZ LYS 43 3HZ LYS 43 -27.572 8.272 -16.070 174 H GLU 44 H GLU 44 -30.659 13.988 -12.077 175 HA GLU 44 HA GLU 44 -29.711 14.706 -14.557 176 1HB GLU 44 2HB GLU 44 -32.020 15.145 -13.210 177 2HB GLU 44 3HB GLU 44 -31.339 16.766 -13.202 178 1HG GLU 44 2HG GLU 44 -31.227 16.797 -15.594 179 2HG GLU 44 3HG GLU 44 -31.716 15.106 -15.681 180 H LYS 45 H LYS 45 -29.637 16.742 -11.630 181 HA LYS 45 HA LYS 45 -27.834 18.614 -12.904 182 1HB LYS 45 2HB LYS 45 -29.138 18.479 -10.194 183 2HB LYS 45 3HB LYS 45 -27.900 19.674 -10.561 184 1HG LYS 45 2HG LYS 45 -29.246 20.664 -12.255 185 2HG LYS 45 3HG LYS 45 -30.423 19.352 -12.166 186 1HD LYS 45 2HD LYS 45 -29.948 20.677 -9.605 187 2HD LYS 45 3HD LYS 45 -30.602 21.749 -10.845 188 1HE LYS 45 2HE LYS 45 -31.901 19.130 -10.722 189 2HE LYS 45 3HE LYS 45 -32.074 20.084 -9.249 190 1HZ LYS 45 1HZ LYS 45 -32.955 20.760 -11.987 191 2HZ LYS 45 2HZ LYS 45 -32.767 21.954 -10.804 192 3HZ LYS 45 3HZ LYS 45 -33.875 20.697 -10.568 193 H LEU 46 H LEU 46 -27.715 16.232 -10.288 194 HA LEU 46 HA LEU 46 -25.176 16.706 -9.308 195 1HB LEU 46 2HB LEU 46 -26.045 15.096 -8.027 196 2HB LEU 46 3HB LEU 46 -27.057 14.483 -9.333 197 HG LEU 46 HG LEU 46 -25.095 13.228 -10.195 198 1HD1 LEU 46 1HD1 LEU 46 -23.120 14.045 -9.505 199 2HD1 LEU 46 2HD1 LEU 46 -23.376 12.981 -8.123 200 3HD1 LEU 46 3HD1 LEU 46 -23.789 14.691 -8.007 201 1HD2 LEU 46 1HD2 LEU 46 -26.456 11.829 -9.006 202 2HD2 LEU 46 2HD2 LEU 46 -26.302 12.760 -7.516 203 3HD2 LEU 46 3HD2 LEU 46 -24.984 11.712 -8.041 204 H GLN 47 H GLN 47 -26.104 14.550 -11.984 205 HA GLN 47 HA GLN 47 -23.500 13.705 -12.622 206 1HB GLN 47 2HB GLN 47 -25.581 12.594 -13.400 207 2HB GLN 47 3HB GLN 47 -25.872 13.950 -14.481 208 1HG GLN 47 2HG GLN 47 -23.283 13.138 -15.065 209 2HG GLN 47 3HG GLN 47 -24.181 11.639 -14.829 210 1HE2 GLN 47 1HE2 GLN 47 -23.064 13.193 -17.215 211 2HE2 GLN 47 2HE2 GLN 47 -24.374 13.199 -18.341 212 H ALA 48 H ALA 48 -25.507 16.286 -14.024 213 HA ALA 48 HA ALA 48 -23.726 17.177 -15.965 214 1HB ALA 48 1HB ALA 48 -25.610 18.924 -14.390 215 2HB ALA 48 2HB ALA 48 -24.986 19.212 -16.015 216 3HB ALA 48 3HB ALA 48 -26.105 17.880 -15.723 217 H LEU 49 H LEU 49 -23.810 17.791 -12.519 218 HA LEU 49 HA LEU 49 -21.946 19.948 -12.543 219 1HB LEU 49 2HB LEU 49 -23.534 18.571 -10.630 220 2HB LEU 49 3HB LEU 49 -21.867 18.576 -10.057 221 HG LEU 49 HG LEU 49 -22.967 20.457 -9.102 222 1HD1 LEU 49 1HD1 LEU 49 -20.676 20.657 -10.565 223 2HD1 LEU 49 2HD1 LEU 49 -21.307 21.906 -9.492 224 3HD1 LEU 49 3HD1 LEU 49 -21.644 21.977 -11.222 225 1HD2 LEU 49 1HD2 LEU 49 -23.639 22.078 -11.316 226 2HD2 LEU 49 2HD2 LEU 49 -24.713 21.394 -10.096 227 3HD2 LEU 49 3HD2 LEU 49 -24.376 20.498 -11.578 228 H LEU 50 H LEU 50 -21.658 16.496 -11.718 229 HA LEU 50 HA LEU 50 -18.952 16.443 -11.112 230 1HB LEU 50 2HB LEU 50 -20.692 14.346 -12.392 231 2HB LEU 50 3HB LEU 50 -19.052 14.042 -11.823 232 HG LEU 50 HG LEU 50 -21.403 14.852 -10.113 233 1HD1 LEU 50 1HD1 LEU 50 -21.555 12.662 -9.400 234 2HD1 LEU 50 2HD1 LEU 50 -19.924 12.261 -9.939 235 3HD1 LEU 50 3HD1 LEU 50 -21.217 12.469 -11.120 236 1HD2 LEU 50 1HD2 LEU 50 -18.537 14.236 -9.409 237 2HD2 LEU 50 2HD2 LEU 50 -19.850 14.365 -8.238 238 3HD2 LEU 50 3HD2 LEU 50 -19.381 15.770 -9.197 239 H TYR 51 H TYR 51 -20.545 16.607 -14.201 240 HA TYR 51 HA TYR 51 -18.281 15.854 -15.770 241 1HB TYR 51 2HB TYR 51 -20.746 15.797 -16.465 242 2HB TYR 51 3HB TYR 51 -20.595 17.531 -16.731 243 HD1 TYR 51 HD1 TYR 51 -18.444 18.178 -18.206 244 HD2 TYR 51 HD2 TYR 51 -20.453 14.428 -18.293 245 HE1 TYR 51 HE1 TYR 51 -17.550 17.759 -20.459 246 HE2 TYR 51 HE2 TYR 51 -19.564 13.998 -20.546 247 HH TYR 51 HH TYR 51 -17.856 14.674 -22.012 248 H ALA 52 H ALA 52 -19.740 18.952 -14.846 249 HA ALA 52 HA ALA 52 -18.177 20.691 -16.308 250 1HB ALA 52 1HB ALA 52 -18.502 21.910 -13.806 251 2HB ALA 52 2HB ALA 52 -19.527 22.086 -15.231 252 3HB ALA 52 3HB ALA 52 -19.902 20.859 -14.021 253 H LEU 53 H LEU 53 -17.525 19.539 -12.995 254 HA LEU 53 HA LEU 53 -14.998 20.762 -12.772 255 1HB LEU 53 2HB LEU 53 -15.873 18.255 -11.359 256 2HB LEU 53 3HB LEU 53 -14.683 19.438 -10.818 257 HG LEU 53 HG LEU 53 -17.615 20.064 -11.119 258 1HD1 LEU 53 1HD1 LEU 53 -16.090 18.915 -8.812 259 2HD1 LEU 53 2HD1 LEU 53 -17.652 18.428 -9.469 260 3HD1 LEU 53 3HD1 LEU 53 -17.511 19.928 -8.553 261 1HD2 LEU 53 1HD2 LEU 53 -15.348 21.666 -10.723 262 2HD2 LEU 53 2HD2 LEU 53 -16.155 21.569 -9.157 263 3HD2 LEU 53 3HD2 LEU 53 -17.041 22.138 -10.573 264 H ALA 54 H ALA 54 -16.008 17.595 -13.934 265 HA ALA 54 HA ALA 54 -13.480 16.392 -14.109 266 1HB ALA 54 1HB ALA 54 -15.909 15.918 -15.834 267 2HB ALA 54 2HB ALA 54 -14.519 14.842 -15.687 268 3HB ALA 54 3HB ALA 54 -15.561 15.131 -14.294 269 H SER 55 H SER 55 -15.374 18.042 -16.643 270 HA SER 55 HA SER 55 -13.459 17.879 -18.666 271 1HB SER 55 2HB SER 55 -15.869 18.565 -18.935 272 2HB SER 55 3HB SER 55 -15.425 20.148 -18.297 273 HG SER 55 HG SER 55 -15.364 19.545 -20.752 274 H SER 56 H SER 56 -13.758 20.077 -15.974 275 HA SER 56 HA SER 56 -12.093 22.146 -16.852 276 1HB SER 56 2HB SER 56 -13.374 21.386 -14.416 277 2HB SER 56 3HB SER 56 -11.695 21.785 -14.054 278 HG SER 56 HG SER 56 -13.312 23.456 -15.658 279 H GLN 57 H GLN 57 -11.358 18.932 -15.910 280 HA GLN 57 HA GLN 57 -8.491 19.594 -15.776 281 1HB GLN 57 2HB GLN 57 -10.002 17.271 -14.573 282 2HB GLN 57 3HB GLN 57 -8.249 17.407 -14.580 283 1HG GLN 57 2HG GLN 57 -9.901 19.603 -13.422 284 2HG GLN 57 3HG GLN 57 -9.608 18.134 -12.493 285 1HE2 GLN 57 1HE2 GLN 57 -8.647 21.113 -12.584 286 2HE2 GLN 57 2HE2 GLN 57 -6.955 20.961 -12.268 287 HN2 GLY 58 H GLY 58 -10.361 16.640 -16.479 288 1HA GLY 58 2HA GLY 58 -8.833 16.413 -18.999 289 2HA GLY 58 3HA GLY 58 -9.120 15.029 -17.954 290 H ASP 59 H ASP 59 -9.851 14.796 -20.527 291 HA ASP 59 HA ASP 59 -12.546 15.604 -21.019 292 1HB ASP 59 2HB ASP 59 -10.661 13.689 -22.377 293 2HB ASP 59 3HB ASP 59 -12.337 13.851 -22.895 294 H ILE 60 H ILE 60 -14.425 14.383 -20.968 295 HA ILE 60 HA ILE 60 -14.284 11.985 -19.268 296 HB ILE 60 HB ILE 60 -16.649 13.799 -19.752 297 1HG1 ILE 60 2HG1 ILE 60 -16.076 14.040 -17.115 298 2HG1 ILE 60 3HG1 ILE 60 -14.456 13.814 -17.766 299 1HG2 ILE 60 1HG2 ILE 60 -17.892 12.189 -18.869 300 2HG2 ILE 60 2HG2 ILE 60 -16.472 11.153 -18.736 301 3HG2 ILE 60 3HG2 ILE 60 -16.906 12.229 -17.408 302 1HD1 ILE 60 1HD1 ILE 60 -15.657 15.683 -19.442 303 2HD1 ILE 60 2HD1 ILE 60 -16.139 16.139 -17.807 304 3HD1 ILE 60 3HD1 ILE 60 -14.430 15.978 -18.211 305 H LEU 61 H LEU 61 -15.020 10.075 -19.991 306 HA LEU 61 HA LEU 61 -16.019 9.968 -22.740 307 1HB LEU 61 2HB LEU 61 -15.278 7.574 -21.108 308 2HB LEU 61 3HB LEU 61 -15.243 7.780 -22.858 309 HG LEU 61 HG LEU 61 -13.288 8.889 -20.849 310 1HD1 LEU 61 1HD1 LEU 61 -12.497 6.798 -21.189 311 2HD1 LEU 61 2HD1 LEU 61 -11.825 7.544 -22.638 312 3HD1 LEU 61 3HD1 LEU 61 -13.321 6.616 -22.738 313 1HD2 LEU 61 1HD2 LEU 61 -13.138 10.595 -22.314 314 2HD2 LEU 61 2HD2 LEU 61 -13.901 9.686 -23.619 315 3HD2 LEU 61 3HD2 LEU 61 -12.194 9.436 -23.250 316 H ASP 62 H ASP 62 -16.959 9.355 -19.459 317 HA ASP 62 HA ASP 62 -19.692 9.300 -20.006 318 1HB ASP 62 2HB ASP 62 -19.559 7.192 -21.030 319 2HB ASP 62 3HB ASP 62 -18.371 6.603 -19.870 320 H ILE 63 H ILE 63 -20.631 9.922 -18.179 321 HA ILE 63 HA ILE 63 -19.239 9.391 -15.645 322 HB ILE 63 HB ILE 63 -21.335 11.485 -16.233 323 1HG1 ILE 63 2HG1 ILE 63 -18.331 11.726 -15.963 324 2HG1 ILE 63 3HG1 ILE 63 -19.262 11.946 -17.441 325 1HG2 ILE 63 1HG2 ILE 63 -21.231 10.688 -13.885 326 2HG2 ILE 63 2HG2 ILE 63 -19.540 11.185 -13.831 327 3HG2 ILE 63 3HG2 ILE 63 -20.806 12.390 -14.069 328 1HD1 ILE 63 1HD1 ILE 63 -20.439 13.839 -16.263 329 2HD1 ILE 63 2HD1 ILE 63 -19.210 13.695 -15.006 330 3HD1 ILE 63 3HD1 ILE 63 -18.740 14.098 -16.657 331 H VAL 64 H VAL 64 -20.035 7.695 -14.593 332 HA VAL 64 HA VAL 64 -22.867 7.020 -14.834 333 HB VAL 64 HB VAL 64 -20.621 5.506 -13.493 334 1HG1 VAL 64 1HG1 VAL 64 -22.324 3.610 -13.676 335 2HG1 VAL 64 2HG1 VAL 64 -22.592 4.823 -12.422 336 3HG1 VAL 64 3HG1 VAL 64 -23.526 4.877 -13.918 337 1HG2 VAL 64 1HG2 VAL 64 -20.785 3.999 -15.425 338 2HG2 VAL 64 2HG2 VAL 64 -21.980 5.073 -16.153 339 3HG2 VAL 64 3HG2 VAL 64 -20.326 5.633 -15.905 340 H VAL 65 H VAL 65 -24.272 6.900 -13.102 341 HA VAL 65 HA VAL 65 -23.305 7.782 -10.481 342 HB VAL 65 HB VAL 65 -25.745 8.994 -11.781 343 1HG1 VAL 65 1HG1 VAL 65 -25.119 8.757 -9.125 344 2HG1 VAL 65 2HG1 VAL 65 -24.490 10.357 -9.524 345 3HG1 VAL 65 3HG1 VAL 65 -26.187 9.976 -9.820 346 1HG2 VAL 65 1HG2 VAL 65 -22.918 9.977 -11.586 347 2HG2 VAL 65 2HG2 VAL 65 -23.976 9.920 -12.996 348 3HG2 VAL 65 3HG2 VAL 65 -24.274 11.097 -11.718 349 H ASP 66 H ASP 66 -24.186 6.679 -8.842 350 HA ASP 66 HA ASP 66 -25.827 4.443 -9.298 351 1HB ASP 66 2HB ASP 66 -24.260 5.309 -7.226 352 2HB ASP 66 3HB ASP 66 -25.878 5.519 -6.562 353 H LEU 67 H LEU 67 -27.698 4.504 -7.217 354 HA LEU 67 HA LEU 67 -29.761 6.147 -8.459 355 1HB LEU 67 2HB LEU 67 -31.265 4.820 -6.903 356 2HB LEU 67 3HB LEU 67 -30.461 3.934 -8.198 357 HG LEU 67 HG LEU 67 -30.596 2.881 -5.844 358 1HD1 LEU 67 1HD1 LEU 67 -28.654 2.780 -7.933 359 2HD1 LEU 67 2HD1 LEU 67 -29.201 1.493 -6.860 360 3HD1 LEU 67 3HD1 LEU 67 -27.854 2.526 -6.382 361 1HD2 LEU 67 1HD2 LEU 67 -29.786 4.919 -4.680 362 2HD2 LEU 67 2HD2 LEU 67 -28.212 4.682 -5.440 363 3HD2 LEU 67 3HD2 LEU 67 -28.840 3.475 -4.317 364 H SER 68 H SER 68 -27.589 7.078 -6.518 365 HA SER 68 HA SER 68 -27.362 8.500 -4.751 366 1HB SER 68 2HB SER 68 -30.166 9.460 -5.200 367 2HB SER 68 3HB SER 68 -28.712 10.390 -4.838 368 HG SER 68 HG SER 68 -29.768 9.741 -7.233 369 H ASP 69 H ASP 69 -27.680 6.258 -3.611 370 HA ASP 69 HA ASP 69 -30.076 5.961 -2.065 371 1HB ASP 69 2HB ASP 69 -27.788 4.377 -2.670 372 2HB ASP 69 3HB ASP 69 -27.920 4.486 -0.917 373 H ASP 70 H ASP 70 -30.436 6.444 0.062 374 HA ASP 70 HA ASP 70 -28.980 8.613 1.175 375 1HB ASP 70 2HB ASP 70 -31.137 6.834 2.319 376 2HB ASP 70 3HB ASP 70 -30.469 8.221 3.174 377 H ASN 71 H ASN 71 -28.404 5.306 1.162 378 HA ASN 71 HA ASN 71 -26.754 5.490 3.596 379 1HB ASN 71 2HB ASN 71 -28.585 3.457 2.656 380 2HB ASN 71 3HB ASN 71 -26.973 2.785 2.880 381 1HD2 ASN 71 1HD2 ASN 71 -27.716 1.544 4.618 382 2HD2 ASN 71 2HD2 ASN 71 -28.019 2.247 6.167 383 H SER 72 H SER 72 -26.659 5.377 0.254 384 HA SER 72 HA SER 72 -23.886 4.376 0.287 385 1HB SER 72 2HB SER 72 -26.118 3.585 -1.339 386 2HB SER 72 3HB SER 72 -24.871 4.293 -2.366 387 HG SER 72 HG SER 72 -24.875 1.926 -0.987 388 HN2 GLY 73 H GLY 73 -25.854 6.197 -2.060 389 1HA GLY 73 2HA GLY 73 -25.382 8.110 -3.243 390 2HA GLY 73 3HA GLY 73 -24.783 8.715 -1.706 391 H LYS 74 H LYS 74 -23.919 7.201 -4.734 392 HA LYS 74 HA LYS 74 -21.237 8.280 -4.496 393 1HB LYS 74 2HB LYS 74 -20.179 6.109 -5.100 394 2HB LYS 74 3HB LYS 74 -20.905 6.111 -3.498 395 1HG LYS 74 2HG LYS 74 -22.827 4.898 -4.334 396 2HG LYS 74 3HG LYS 74 -22.172 4.953 -5.972 397 1HD LYS 74 2HD LYS 74 -21.153 3.020 -5.541 398 2HD LYS 74 3HD LYS 74 -20.123 3.890 -4.402 399 1HE LYS 74 2HE LYS 74 -21.714 3.447 -2.610 400 2HE LYS 74 3HE LYS 74 -22.777 2.615 -3.744 401 1HZ LYS 74 1HZ LYS 74 -21.687 0.812 -3.018 402 2HZ LYS 74 2HZ LYS 74 -20.349 1.689 -2.468 403 3HZ LYS 74 3HZ LYS 74 -20.485 1.293 -4.107 404 H ALA 75 H ALA 75 -19.975 7.503 -6.613 405 HA ALA 75 HA ALA 75 -21.564 7.079 -8.942 406 1HB ALA 75 1HB ALA 75 -20.828 9.858 -8.186 407 2HB ALA 75 2HB ALA 75 -20.750 9.405 -9.890 408 3HB ALA 75 3HB ALA 75 -22.268 9.250 -9.004 409 H TYR 76 H TYR 76 -20.126 7.699 -10.974 410 HA TYR 76 HA TYR 76 -17.291 7.270 -10.428 411 1HB TYR 76 2HB TYR 76 -18.621 5.518 -12.470 412 2HB TYR 76 3HB TYR 76 -17.078 5.294 -11.653 413 HD1 TYR 76 HD1 TYR 76 -20.733 5.011 -11.297 414 HD2 TYR 76 HD2 TYR 76 -16.951 4.208 -9.520 415 HE1 TYR 76 HE1 TYR 76 -21.822 3.531 -9.663 416 HE2 TYR 76 HE2 TYR 76 -18.030 2.725 -7.882 417 HH TYR 76 HH TYR 76 -21.551 2.308 -7.819 418 H ILE 77 H ILE 77 -16.076 8.496 -11.709 419 HA ILE 77 HA ILE 77 -17.314 9.633 -14.125 420 HB ILE 77 HB ILE 77 -14.937 10.745 -12.641 421 1HG1 ILE 77 2HG1 ILE 77 -17.855 11.513 -12.409 422 2HG1 ILE 77 3HG1 ILE 77 -16.886 10.742 -11.158 423 1HG2 ILE 77 1HG2 ILE 77 -16.702 12.447 -14.279 424 2HG2 ILE 77 2HG2 ILE 77 -14.947 12.459 -14.110 425 3HG2 ILE 77 3HG2 ILE 77 -15.724 11.271 -15.157 426 1HD1 ILE 77 1HD1 ILE 77 -16.979 13.552 -12.022 427 2HD1 ILE 77 2HD1 ILE 77 -16.690 12.857 -10.427 428 3HD1 ILE 77 3HD1 ILE 77 -15.387 12.914 -11.613 429 H VAL 78 H VAL 78 -16.675 8.643 -15.919 430 HA VAL 78 HA VAL 78 -14.083 7.333 -16.052 431 HB VAL 78 HB VAL 78 -16.181 7.504 -18.216 432 1HG1 VAL 78 1HG1 VAL 78 -13.559 6.555 -18.248 433 2HG1 VAL 78 2HG1 VAL 78 -14.570 5.113 -18.138 434 3HG1 VAL 78 3HG1 VAL 78 -14.812 6.263 -19.453 435 1HG2 VAL 78 1HG2 VAL 78 -15.814 5.359 -16.125 436 2HG2 VAL 78 2HG2 VAL 78 -17.127 6.537 -16.166 437 3HG2 VAL 78 3HG2 VAL 78 -16.979 5.337 -17.450 438 H PHE 79 H PHE 79 -12.326 8.226 -16.900 439 HA PHE 79 HA PHE 79 -12.641 10.651 -18.535 440 1HB PHE 79 2HB PHE 79 -10.429 9.734 -16.704 441 2HB PHE 79 3HB PHE 79 -10.193 11.023 -17.880 442 HD1 PHE 79 HD1 PHE 79 -11.735 10.072 -14.728 443 HD2 PHE 79 HD2 PHE 79 -11.360 13.154 -17.640 444 HE1 PHE 79 HE1 PHE 79 -12.660 11.694 -13.125 445 HE2 PHE 79 HE2 PHE 79 -12.283 14.781 -16.041 446 HZ PHE 79 HZ PHE 79 -12.934 14.052 -13.781 447 H ALA 80 H ALA 80 -10.585 10.972 -19.985 448 HA ALA 80 HA ALA 80 -10.672 9.053 -22.011 449 1HB ALA 80 1HB ALA 80 -9.621 11.584 -21.732 450 2HB ALA 80 2HB ALA 80 -8.196 10.576 -21.990 451 3HB ALA 80 3HB ALA 80 -9.509 10.564 -23.167 452 H THR 81 H THR 81 -8.220 9.602 -19.500 453 HA THR 81 HA THR 81 -7.518 6.824 -19.461 454 HB THR 81 HB THR 81 -5.044 8.277 -19.953 455 HG1 THR 81 HG1 THR 81 -5.383 8.853 -22.027 456 1HG2 THR 81 1HG2 THR 81 -6.346 5.817 -21.118 457 2HG2 THR 81 2HG2 THR 81 -5.080 5.883 -19.892 458 3HG2 THR 81 3HG2 THR 81 -4.728 6.369 -21.550 459 H GLN 82 H GLN 82 -5.542 6.495 -17.974 460 HA GLN 82 HA GLN 82 -6.095 7.523 -15.467 461 1HB GLN 82 2HB GLN 82 -4.492 5.565 -16.356 462 2HB GLN 82 3HB GLN 82 -3.273 6.788 -16.022 463 1HG GLN 82 2HG GLN 82 -5.281 6.312 -13.912 464 2HG GLN 82 3HG GLN 82 -4.117 5.022 -14.210 465 1HE2 GLN 82 1HE2 GLN 82 -3.650 5.694 -11.908 466 2HE2 GLN 82 2HE2 GLN 82 -2.436 6.904 -11.688 467 H GLU 83 H GLU 83 -4.142 8.852 -18.017 468 HA GLU 83 HA GLU 83 -2.565 10.645 -16.568 469 1HB GLU 83 2HB GLU 83 -3.614 10.600 -19.373 470 2HB GLU 83 3HB GLU 83 -2.773 12.027 -18.784 471 1HG GLU 83 2HG GLU 83 -0.803 10.714 -18.305 472 2HG GLU 83 3HG GLU 83 -1.642 9.238 -18.781 473 H SER 84 H SER 84 -5.714 11.207 -18.140 474 HA SER 84 HA SER 84 -5.987 13.834 -17.054 475 1HB SER 84 2HB SER 84 -7.536 12.059 -18.803 476 2HB SER 84 3HB SER 84 -8.536 13.075 -17.764 477 HG SER 84 HG SER 84 -6.634 13.849 -19.698 478 H ALA 85 H ALA 85 -7.439 10.685 -16.289 479 HA ALA 85 HA ALA 85 -9.174 11.450 -14.277 480 1HB ALA 85 1HB ALA 85 -9.528 9.260 -14.108 481 2HB ALA 85 2HB ALA 85 -8.277 9.046 -15.335 482 3HB ALA 85 3HB ALA 85 -7.859 8.958 -13.624 483 H GLN 86 H GLN 86 -5.826 10.286 -13.851 484 HA GLN 86 HA GLN 86 -5.608 10.636 -11.125 485 1HB GLN 86 2HB GLN 86 -3.872 9.515 -12.349 486 2HB GLN 86 3HB GLN 86 -3.520 10.964 -13.280 487 1HG GLN 86 2HG GLN 86 -2.575 12.051 -11.402 488 2HG GLN 86 3HG GLN 86 -3.173 10.811 -10.301 489 1HE2 GLN 86 1HE2 GLN 86 -1.327 10.036 -9.478 490 2HE2 GLN 86 2HE2 GLN 86 -0.055 9.325 -10.406 491 H ALA 87 H ALA 87 -5.190 13.018 -13.695 492 HA ALA 87 HA ALA 87 -4.195 15.123 -12.129 493 1HB ALA 87 1HB ALA 87 -5.630 16.390 -14.086 494 2HB ALA 87 2HB ALA 87 -3.974 15.803 -14.247 495 3HB ALA 87 3HB ALA 87 -5.320 14.809 -14.804 496 H PHE 88 H PHE 88 -7.540 14.424 -13.144 497 HA PHE 88 HA PHE 88 -8.704 16.546 -11.688 498 1HB PHE 88 2HB PHE 88 -9.956 15.595 -13.485 499 2HB PHE 88 3HB PHE 88 -9.846 13.980 -12.793 500 HD1 PHE 88 HD1 PHE 88 -11.246 13.328 -10.923 501 HD2 PHE 88 HD2 PHE 88 -11.543 17.204 -12.657 502 HE1 PHE 88 HE1 PHE 88 -13.397 13.671 -9.778 503 HE2 PHE 88 HE2 PHE 88 -13.694 17.554 -11.514 504 HZ PHE 88 HZ PHE 88 -14.623 15.787 -10.073 505 H VAL 89 H VAL 89 -7.802 13.288 -10.838 506 HA VAL 89 HA VAL 89 -9.327 13.080 -8.456 507 HB VAL 89 HB VAL 89 -6.794 11.660 -9.286 508 1HG1 VAL 89 1HG1 VAL 89 -8.080 10.041 -7.479 509 2HG1 VAL 89 2HG1 VAL 89 -6.662 11.037 -7.143 510 3HG1 VAL 89 3HG1 VAL 89 -8.276 11.646 -6.776 511 1HG2 VAL 89 1HG2 VAL 89 -8.080 10.293 -10.484 512 2HG2 VAL 89 2HG2 VAL 89 -9.214 10.084 -9.149 513 3HG2 VAL 89 3HG2 VAL 89 -9.394 11.447 -10.253 514 H GLU 90 H GLU 90 -5.998 14.106 -9.117 515 HA GLU 90 HA GLU 90 -5.483 14.660 -6.329 516 1HB GLU 90 2HB GLU 90 -3.813 15.393 -8.738 517 2HB GLU 90 3HB GLU 90 -3.286 15.366 -7.061 518 1HG GLU 90 2HG GLU 90 -4.291 12.903 -8.441 519 2HG GLU 90 3HG GLU 90 -2.608 13.416 -8.549 520 H ALA 91 H ALA 91 -6.697 16.349 -9.066 521 HA ALA 91 HA ALA 91 -6.057 18.991 -8.154 522 1HB ALA 91 1HB ALA 91 -7.803 17.892 -10.327 523 2HB ALA 91 2HB ALA 91 -7.829 19.608 -9.917 524 3HB ALA 91 3HB ALA 91 -6.330 18.854 -10.460 525 H PHE 92 H PHE 92 -8.549 16.704 -7.509 526 HA PHE 92 HA PHE 92 -9.965 18.731 -5.913 527 1HB PHE 92 2HB PHE 92 -11.154 16.588 -7.674 528 2HB PHE 92 3HB PHE 92 -12.075 17.401 -6.413 529 HD1 PHE 92 HD1 PHE 92 -13.278 19.280 -6.963 530 HD2 PHE 92 HD2 PHE 92 -9.935 18.190 -9.361 531 HE1 PHE 92 HE1 PHE 92 -13.808 21.105 -8.525 532 HE2 PHE 92 HE2 PHE 92 -10.459 20.014 -10.926 533 HZ PHE 92 HZ PHE 92 -12.397 21.475 -10.509 534 H GLN 93 H GLN 93 -7.990 16.301 -5.604 535 HA GLN 93 HA GLN 93 -9.091 14.258 -4.155 536 1HB GLN 93 2HB GLN 93 -6.786 14.128 -4.634 537 2HB GLN 93 3HB GLN 93 -6.453 15.674 -3.865 538 1HG GLN 93 2HG GLN 93 -6.905 14.708 -1.683 539 2HG GLN 93 3HG GLN 93 -7.294 13.162 -2.436 540 1HE2 GLN 93 1HE2 GLN 93 -4.676 15.548 -2.715 541 2HE2 GLN 93 2HE2 GLN 93 -3.390 14.407 -2.546 542 HN2 GLY 94 H GLY 94 -8.487 17.551 -3.115 543 1HA GLY 94 2HA GLY 94 -10.001 16.969 -0.660 544 2HA GLY 94 3HA GLY 94 -8.463 17.812 -0.544 545 H TYR 95 H TYR 95 -11.442 18.047 -2.495 546 HA TYR 95 HA TYR 95 -11.451 20.937 -1.921 547 1HB TYR 95 2HB TYR 95 -10.820 20.609 -4.239 548 2HB TYR 95 3HB TYR 95 -12.199 19.547 -4.501 549 HD1 TYR 95 HD1 TYR 95 -11.054 22.982 -4.315 550 HD2 TYR 95 HD2 TYR 95 -14.496 20.489 -4.521 551 HE1 TYR 95 HE1 TYR 95 -12.410 24.920 -4.989 552 HE2 TYR 95 HE2 TYR 95 -15.861 22.421 -5.196 553 HH TYR 95 HH TYR 95 -15.880 24.584 -5.679 554 HA PRO 96 HA PRO 96 -15.472 20.190 -0.258 555 1HB PRO 96 2HB PRO 96 -16.323 22.767 -0.177 556 2HB PRO 96 3HB PRO 96 -15.145 22.108 0.964 557 1HG PRO 96 2HG PRO 96 -14.686 23.753 -1.495 558 2HG PRO 96 3HG PRO 96 -13.922 23.887 0.100 559 1HD PRO 96 2HD PRO 96 -12.714 22.673 -1.997 560 2HD PRO 96 3HD PRO 96 -12.456 22.158 -0.318 561 H PHE 97 H PHE 97 -16.766 19.160 -1.701 562 HA PHE 97 HA PHE 97 -18.262 20.846 -3.571 563 1HB PHE 97 2HB PHE 97 -16.608 19.842 -4.986 564 2HB PHE 97 3HB PHE 97 -16.870 18.258 -4.265 565 HD1 PHE 97 HD1 PHE 97 -18.197 16.752 -5.382 566 HD2 PHE 97 HD2 PHE 97 -18.742 20.912 -6.095 567 HE1 PHE 97 HE1 PHE 97 -19.854 16.232 -7.125 568 HE2 PHE 97 HE2 PHE 97 -20.401 20.399 -7.838 569 HZ PHE 97 HZ PHE 97 -20.959 18.057 -8.355 570 H GLN 98 H GLN 98 -20.388 20.281 -3.845 571 HA GLN 98 HA GLN 98 -22.410 19.440 -3.221 572 1HB GLN 98 2HB GLN 98 -20.825 17.322 -4.197 573 2HB GLN 98 3HB GLN 98 -21.674 16.693 -2.791 574 1HG GLN 98 2HG GLN 98 -23.504 18.194 -4.376 575 2HG GLN 98 3HG GLN 98 -22.647 17.052 -5.410 576 1HE2 GLN 98 1HE2 GLN 98 -24.872 17.441 -2.795 577 2HE2 GLN 98 2HE2 GLN 98 -25.373 15.790 -2.696 578 HN2 GLY 99 H GLY 99 -20.547 20.301 -1.101 579 1HA GLY 99 2HA GLY 99 -21.807 20.223 1.167 580 2HA GLY 99 3HA GLY 99 -21.329 18.533 1.112 581 H ASN 100 H ASN 100 -18.934 18.159 0.795 582 HA ASN 100 HA ASN 100 -16.993 20.074 1.322 583 1HB ASN 100 2HB ASN 100 -17.584 20.577 3.471 584 2HB ASN 100 3HB ASN 100 -18.375 19.025 3.731 585 1HD2 ASN 100 1HD2 ASN 100 -17.443 18.225 5.485 586 2HD2 ASN 100 2HD2 ASN 100 -15.742 18.026 5.715 587 HA PRO 101 HA PRO 101 -15.160 15.708 2.280 588 1HB PRO 101 2HB PRO 101 -16.904 13.635 2.461 589 2HB PRO 101 3HB PRO 101 -16.433 14.618 3.852 590 1HG PRO 101 2HG PRO 101 -18.898 14.785 2.162 591 2HG PRO 101 3HG PRO 101 -18.741 14.891 3.926 592 1HD PRO 101 2HD PRO 101 -19.022 17.078 2.354 593 2HD PRO 101 3HD PRO 101 -18.082 17.099 3.860 594 H LEU 102 H LEU 102 -14.345 15.740 0.218 595 HA LEU 102 HA LEU 102 -15.940 14.382 -1.855 596 1HB LEU 102 2HB LEU 102 -15.045 16.906 -2.001 597 2HB LEU 102 3HB LEU 102 -13.638 16.062 -2.646 598 HG LEU 102 HG LEU 102 -16.411 16.235 -3.779 599 1HD1 LEU 102 1HD1 LEU 102 -14.879 17.963 -4.455 600 2HD1 LEU 102 2HD1 LEU 102 -15.139 16.860 -5.805 601 3HD1 LEU 102 3HD1 LEU 102 -13.650 16.766 -4.865 602 1HD2 LEU 102 1HD2 LEU 102 -15.337 14.609 -5.533 603 2HD2 LEU 102 2HD2 LEU 102 -16.138 13.978 -4.093 604 3HD2 LEU 102 3HD2 LEU 102 -14.378 14.087 -4.147 605 H VAL 103 H VAL 103 -15.221 12.448 -2.421 606 HA VAL 103 HA VAL 103 -12.363 11.836 -2.028 607 HB VAL 103 HB VAL 103 -13.941 9.455 -2.275 608 1HG1 VAL 103 1HG1 VAL 103 -12.687 8.753 -0.474 609 2HG1 VAL 103 2HG1 VAL 103 -11.653 10.014 -1.148 610 3HG1 VAL 103 3HG1 VAL 103 -12.654 10.354 0.264 611 1HG2 VAL 103 1HG2 VAL 103 -14.843 11.390 -0.146 612 2HG2 VAL 103 2HG2 VAL 103 -15.820 10.718 -1.451 613 3HG2 VAL 103 3HG2 VAL 103 -15.227 9.669 -0.163 614 H ILE 104 H ILE 104 -11.213 11.214 -3.747 615 HA ILE 104 HA ILE 104 -12.621 10.238 -6.130 616 HB ILE 104 HB ILE 104 -10.691 11.641 -7.347 617 1HG1 ILE 104 2HG1 ILE 104 -10.150 12.539 -4.939 618 2HG1 ILE 104 3HG1 ILE 104 -10.113 13.632 -6.318 619 1HG2 ILE 104 1HG2 ILE 104 -12.933 11.800 -8.052 620 2HG2 ILE 104 2HG2 ILE 104 -13.443 12.526 -6.528 621 3HG2 ILE 104 3HG2 ILE 104 -12.447 13.448 -7.653 622 1HD1 ILE 104 1HD1 ILE 104 -11.339 14.269 -4.086 623 2HD1 ILE 104 2HD1 ILE 104 -11.983 14.748 -5.656 624 3HD1 ILE 104 3HD1 ILE 104 -12.656 13.351 -4.816 625 H THR 105 H THR 105 -11.793 8.353 -6.710 626 HA THR 105 HA THR 105 -8.903 7.949 -6.631 627 HB THR 105 HB THR 105 -9.328 5.607 -5.672 628 HG1 THR 105 HG1 THR 105 -11.412 5.272 -5.398 629 1HG2 THR 105 1HG2 THR 105 -8.137 7.295 -4.413 630 2HG2 THR 105 2HG2 THR 105 -9.250 6.447 -3.339 631 3HG2 THR 105 3HG2 THR 105 -9.655 8.056 -3.937 632 H PHE 106 H PHE 106 -8.329 5.797 -7.682 633 HA PHE 106 HA PHE 106 -9.784 5.628 -10.178 634 1HB PHE 106 2HB PHE 106 -7.363 4.027 -9.340 635 2HB PHE 106 3HB PHE 106 -7.944 4.311 -10.977 636 HD1 PHE 106 HD1 PHE 106 -7.578 6.438 -12.078 637 HD2 PHE 106 HD2 PHE 106 -6.136 5.717 -8.139 638 HE1 PHE 106 HE1 PHE 106 -6.121 8.413 -12.254 639 HE2 PHE 106 HE2 PHE 106 -4.677 7.691 -8.308 640 HZ PHE 106 HZ PHE 106 -4.669 9.042 -10.367 641 H SER 107 H SER 107 -10.294 3.485 -11.127 642 HA SER 107 HA SER 107 -11.138 1.544 -9.080 643 1HB SER 107 2HB SER 107 -12.844 3.134 -10.643 644 2HB SER 107 3HB SER 107 -12.898 1.532 -11.377 645 HG SER 107 HG SER 107 -14.435 1.841 -9.664 646 H GLU 108 H GLU 108 -12.069 -0.481 -10.509 647 HA GLU 108 HA GLU 108 -9.702 -1.521 -11.779 648 1HB GLU 108 2HB GLU 108 -12.402 -2.851 -11.546 649 2HB GLU 108 3HB GLU 108 -10.850 -3.629 -11.821 650 1HG GLU 108 2HG GLU 108 -10.417 -2.302 -9.474 651 2HG GLU 108 3HG GLU 108 -12.110 -2.773 -9.333 652 H THR 109 H THR 109 -9.364 -1.920 -13.904 653 HA THR 109 HA THR 109 -11.542 -1.620 -15.813 654 HB THR 109 HB THR 109 -10.049 -0.087 -17.224 655 HG1 THR 109 HG1 THR 109 -8.900 0.392 -14.657 656 1HG2 THR 109 1HG2 THR 109 -12.146 0.588 -16.017 657 2HG2 THR 109 2HG2 THR 109 -10.980 1.891 -16.252 658 3HG2 THR 109 3HG2 THR 109 -11.129 1.113 -14.676 659 HA PRO 110 HA PRO 110 -8.363 -4.891 -16.815 660 1HB PRO 110 2HB PRO 110 -10.154 -6.916 -17.066 661 2HB PRO 110 3HB PRO 110 -9.413 -6.474 -15.523 662 1HG PRO 110 2HG PRO 110 -12.111 -5.756 -16.604 663 2HG PRO 110 3HG PRO 110 -11.662 -6.269 -14.967 664 1HD PRO 110 2HD PRO 110 -12.088 -3.675 -15.615 665 2HD PRO 110 3HD PRO 110 -10.914 -4.170 -14.378 666 H GLN 111 H GLN 111 -8.445 -6.406 -18.758 667 HA GLN 111 HA GLN 111 -10.241 -5.546 -20.879 668 1HB GLN 111 2HB GLN 111 -8.490 -4.949 -22.417 669 2HB GLN 111 3HB GLN 111 -8.295 -3.991 -20.955 670 1HG GLN 111 2HG GLN 111 -6.634 -5.823 -20.240 671 2HG GLN 111 3HG GLN 111 -6.640 -6.276 -21.944 672 1HE2 GLN 111 1HE2 GLN 111 -6.115 -4.560 -23.491 673 2HE2 GLN 111 2HE2 GLN 111 -4.955 -3.364 -23.035 674 H SER 112 H SER 112 -9.835 -8.004 -19.396 675 HA SER 112 HA SER 112 -8.394 -9.863 -21.004 676 1HB SER 112 2HB SER 112 -10.351 -10.115 -18.737 677 2HB SER 112 3HB SER 112 -9.830 -11.544 -19.630 678 HG SER 112 HG SER 112 -8.347 -11.395 -18.070 679 H GLN 113 H GLN 113 -11.614 -8.584 -21.051 680 HA GLN 113 HA GLN 113 -12.957 -10.591 -22.452 681 1HB GLN 113 2HB GLN 113 -14.498 -8.793 -23.176 682 2HB GLN 113 3HB GLN 113 -14.157 -8.745 -21.452 683 1HG GLN 113 2HG GLN 113 -12.239 -7.086 -22.439 684 2HG GLN 113 3HG GLN 113 -13.581 -6.786 -23.542 685 1HE2 GLN 113 1HE2 GLN 113 -14.025 -4.747 -22.816 686 2HE2 GLN 113 2HE2 GLN 113 -14.671 -4.417 -21.249 687 H VAL 114 H VAL 114 -10.750 -8.110 -23.545 688 HA VAL 114 HA VAL 114 -11.150 -8.977 -26.329 689 HB VAL 114 HB VAL 114 -10.089 -6.920 -27.028 690 1HG1 VAL 114 1HG1 VAL 114 -12.507 -6.904 -26.513 691 2HG1 VAL 114 2HG1 VAL 114 -12.131 -6.318 -24.892 692 3HG1 VAL 114 3HG1 VAL 114 -11.749 -5.327 -26.300 693 1HG2 VAL 114 1HG2 VAL 114 -9.607 -5.193 -25.181 694 2HG2 VAL 114 2HG2 VAL 114 -9.553 -6.583 -24.096 695 3HG2 VAL 114 3HG2 VAL 114 -8.429 -6.478 -25.450 696 H ALA 115 H ALA 115 -9.556 -10.341 -24.199 697 HA ALA 115 HA ALA 115 -6.795 -9.971 -24.875 698 1HB ALA 115 1HB ALA 115 -6.326 -11.447 -23.202 699 2HB ALA 115 2HB ALA 115 -7.940 -10.943 -22.698 700 3HB ALA 115 3HB ALA 115 -7.720 -12.467 -23.558 701 H GLU 116 H GLU 116 -9.349 -12.208 -25.812 702 HA GLU 116 HA GLU 116 -7.877 -14.161 -27.105 703 1HB GLU 116 2HB GLU 116 -10.621 -13.281 -27.060 704 2HB GLU 116 3HB GLU 116 -10.160 -13.730 -28.696 705 1HG GLU 116 2HG GLU 116 -9.246 -15.876 -27.658 706 2HG GLU 116 3HG GLU 116 -10.166 -15.422 -26.225 707 H ASP 117 H ASP 117 -9.012 -11.047 -28.354 708 HA ASP 117 HA ASP 117 -7.025 -11.269 -30.502 709 1HB ASP 117 2HB ASP 117 -9.961 -10.855 -30.779 710 2HB ASP 117 3HB ASP 117 -8.905 -9.939 -31.851
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