NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5894 | 1i5j | 6143 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 13 H THR 13 96.755 -12.294 14.705 2 HA THR 13 HA THR 13 97.241 -10.625 16.175 3 HB THR 13 HB THR 13 97.675 -8.692 14.670 4 HG1 THR 13 HG1 THR 13 96.788 -8.603 12.692 5 1HG2 THR 13 HG21 THR 13 99.391 -9.839 13.895 6 2HG2 THR 13 HG22 THR 13 98.347 -10.581 12.682 7 3HG2 THR 13 HG23 THR 13 98.558 -11.352 14.253 8 H PHE 14 HN PHE 14 96.791 -8.015 16.293 9 HA PHE 14 HA PHE 14 94.024 -7.296 16.318 10 1HB PHE 14 HB2 PHE 14 94.861 -8.744 18.528 11 2HB PHE 14 HB1 PHE 14 94.989 -7.074 19.067 12 HD1 PHE 14 HD1 PHE 14 92.698 -9.652 17.799 13 HD2 PHE 14 HD2 PHE 14 93.049 -5.749 19.457 14 HE1 PHE 14 HE1 PHE 14 90.269 -9.603 18.187 15 HE2 PHE 14 HE2 PHE 14 90.620 -5.694 19.850 16 HZ PHE 14 HZ PHE 14 89.227 -7.622 19.214 17 H LEU 15 HN LEU 15 96.987 -6.536 18.159 18 HA LEU 15 HA LEU 15 96.594 -3.764 18.210 19 1HB LEU 15 HB2 LEU 15 99.110 -3.697 18.602 20 2HB LEU 15 HB1 LEU 15 98.139 -4.599 19.747 21 HG LEU 15 HG LEU 15 98.880 -6.509 17.869 22 1HD1 LEU 15 HD11 LEU 15 100.538 -4.545 17.229 23 2HD1 LEU 15 HD12 LEU 15 101.043 -6.235 17.226 24 3HD1 LEU 15 HD13 LEU 15 101.439 -5.200 18.598 25 1HD2 LEU 15 HD21 LEU 15 98.933 -7.291 19.993 26 2HD2 LEU 15 HD22 LEU 15 99.598 -5.794 20.647 27 3HD2 LEU 15 HD23 LEU 15 100.653 -6.943 19.823 28 H THR 16 HN THR 16 98.782 -5.655 16.112 29 HA THR 16 HA THR 16 99.616 -3.531 14.505 30 HB THR 16 HB THR 16 100.753 -5.692 14.527 31 HG1 THR 16 HG1 THR 16 99.713 -5.089 11.960 32 1HG2 THR 16 HG21 THR 16 98.152 -6.732 13.905 33 2HG2 THR 16 HG22 THR 16 99.614 -7.579 14.409 34 3HG2 THR 16 HG23 THR 16 99.335 -7.240 12.700 35 H GLN 17 HN GLN 17 96.701 -5.430 14.440 36 HA GLN 17 HA GLN 17 95.859 -4.907 11.817 37 1HB GLN 17 HB2 GLN 17 94.890 -6.415 13.824 38 2HB GLN 17 HB1 GLN 17 93.792 -5.045 13.938 39 1HG GLN 17 HG2 GLN 17 94.109 -5.891 11.201 40 2HG GLN 17 HG1 GLN 17 93.597 -7.230 12.228 41 1HE2 GLN 17 HE21 GLN 17 91.581 -7.207 13.141 42 2HE2 GLN 17 HE22 GLN 17 90.368 -6.049 12.727 43 H VAL 18 HN VAL 18 95.214 -3.161 14.841 44 HA VAL 18 HA VAL 18 93.514 -1.199 13.827 45 HB VAL 18 HB VAL 18 95.538 -0.783 16.028 46 1HG1 VAL 18 HG11 VAL 18 93.754 0.732 16.911 47 2HG1 VAL 18 HG12 VAL 18 92.898 0.517 15.384 48 3HG1 VAL 18 HG13 VAL 18 94.493 1.270 15.403 49 1HG2 VAL 18 HG21 VAL 18 94.442 -2.753 16.663 50 2HG2 VAL 18 HG22 VAL 18 92.891 -2.200 16.033 51 3HG2 VAL 18 HG23 VAL 18 93.557 -1.476 17.497 52 H LYS 19 HN LYS 19 97.018 -1.403 13.853 53 HA LYS 19 HA LYS 19 97.583 1.249 13.066 54 1HB LYS 19 HB2 LYS 19 99.077 -0.887 13.821 55 2HB LYS 19 HB1 LYS 19 99.372 -0.883 12.088 56 1HG LYS 19 HG2 LYS 19 99.924 1.602 12.380 57 2HG LYS 19 HG1 LYS 19 100.016 1.237 14.104 58 1HD LYS 19 HD2 LYS 19 101.832 -0.203 13.824 59 2HD LYS 19 HD1 LYS 19 101.532 -0.393 12.096 60 1HE LYS 19 HE2 LYS 19 103.131 1.137 11.801 61 2HE LYS 19 HE1 LYS 19 101.946 2.315 12.364 62 1HZ LYS 19 HZ1 LYS 19 103.654 0.852 14.276 63 2HZ LYS 19 HZ2 LYS 19 102.848 2.324 14.486 64 3HZ LYS 19 HZ3 LYS 19 104.219 2.245 13.500 65 H GLU 20 HN GLU 20 97.677 -1.736 11.142 66 HA GLU 20 HA GLU 20 97.935 -0.536 8.642 67 1HB GLU 20 HB2 GLU 20 97.050 -3.189 9.632 68 2HB GLU 20 HB1 GLU 20 96.589 -2.774 7.988 69 1HG GLU 20 HG2 GLU 20 98.988 -2.286 7.518 70 2HG GLU 20 HG1 GLU 20 99.371 -2.918 9.119 71 H SER 21 HN SER 21 95.222 -0.747 10.739 72 HA SER 21 HA SER 21 93.198 -0.421 8.746 73 1HB SER 21 HB2 SER 21 93.290 -1.082 11.438 74 2HB SER 21 HB1 SER 21 92.504 0.494 11.421 75 HG SER 21 HG SER 21 91.728 -1.775 9.899 76 H LEU 22 HN LEU 22 94.494 1.759 11.255 77 HA LEU 22 HA LEU 22 93.192 4.064 10.281 78 1HB LEU 22 HB2 LEU 22 94.099 3.826 12.575 79 2HB LEU 22 HB1 LEU 22 95.724 3.889 11.918 80 HG LEU 22 HG LEU 22 93.975 6.168 11.223 81 1HD1 LEU 22 HD11 LEU 22 94.587 5.401 14.013 82 2HD1 LEU 22 HD12 LEU 22 93.245 6.342 13.360 83 3HD1 LEU 22 HD13 LEU 22 94.826 7.093 13.576 84 1HD2 LEU 22 HD21 LEU 22 96.286 6.100 10.508 85 2HD2 LEU 22 HD22 LEU 22 96.823 5.892 12.175 86 3HD2 LEU 22 HD23 LEU 22 96.057 7.400 11.676 87 H SER 23 HN SER 23 96.297 2.596 9.587 88 HA SER 23 HA SER 23 97.289 4.793 8.052 89 1HB SER 23 HB2 SER 23 98.266 2.233 8.946 90 2HB SER 23 HB1 SER 23 98.619 2.447 7.232 91 H SER 24 HN SER 24 95.546 1.834 7.338 92 HA SER 24 HA SER 24 95.815 1.853 4.550 93 1HB SER 24 HB2 SER 24 93.841 0.682 6.451 94 2HB SER 24 HB1 SER 24 93.450 0.707 4.733 95 HG SER 24 HG SER 24 95.356 -0.447 4.335 96 H TYR 25 HN TYR 25 93.584 3.523 6.702 97 HA TYR 25 HA TYR 25 91.703 4.449 4.899 98 1HB TYR 25 HB2 TYR 25 92.248 4.756 7.555 99 2HB TYR 25 HB1 TYR 25 92.571 6.374 6.947 100 HD1 TYR 25 HD1 TYR 25 90.807 7.871 6.654 101 HD2 TYR 25 HD2 TYR 25 89.969 3.706 6.882 102 HE1 TYR 25 HE1 TYR 25 88.397 8.361 6.661 103 HE2 TYR 25 HE2 TYR 25 87.556 4.185 6.890 104 HH TYR 25 HH TYR 25 86.299 7.301 6.180 105 H TRP 26 HN TRP 26 94.899 5.660 5.695 106 HA TRP 26 HA TRP 26 94.639 7.823 3.741 107 1HB TRP 26 HB2 TRP 26 96.482 7.253 6.021 108 2HB TRP 26 HB1 TRP 26 97.064 8.265 4.704 109 HD1 TRP 26 HD1 TRP 26 94.603 8.256 7.611 110 HE1 TRP 26 HE1 TRP 26 93.713 10.645 7.958 111 HE3 TRP 26 HE3 TRP 26 96.576 10.472 3.448 112 HZ2 TRP 26 HZ2 TRP 26 93.831 13.139 6.642 113 HZ3 TRP 26 HZ3 TRP 26 96.139 12.863 3.065 114 HH2 TRP 26 HH2 TRP 26 94.794 14.168 4.629 115 H GLU 27 HN GLU 27 95.899 4.652 4.019 116 HA GLU 27 HA GLU 27 98.193 4.718 2.463 117 1HB GLU 27 HB2 GLU 27 96.094 2.660 2.961 118 2HB GLU 27 HB1 GLU 27 97.261 2.362 1.684 119 1HG GLU 27 HG2 GLU 27 98.982 3.010 3.568 120 2HG GLU 27 HG1 GLU 27 97.662 2.507 4.622 121 H SER 28 HN SER 28 94.815 4.557 1.400 122 HA SER 28 HA SER 28 95.320 4.225 -1.339 123 1HB SER 28 HB2 SER 28 93.101 3.980 -1.212 124 2HB SER 28 HB1 SER 28 93.039 4.791 0.350 125 HG SER 28 HG SER 28 92.739 6.713 -0.650 126 H ALA 29 HN ALA 29 95.052 7.091 0.679 127 HA ALA 29 HA ALA 29 95.135 9.007 -1.387 128 1HB ALA 29 HB1 ALA 29 94.458 9.786 0.731 129 2HB ALA 29 HB2 ALA 29 96.042 10.514 0.466 130 3HB ALA 29 HB3 ALA 29 95.881 9.114 1.526 131 H LYS 30 HN LYS 30 97.587 7.255 0.390 132 HA LYS 30 HA LYS 30 99.800 8.686 -0.752 133 1HB LYS 30 HB2 LYS 30 99.486 6.980 1.398 134 2HB LYS 30 HB1 LYS 30 100.369 5.990 0.243 135 1HG LYS 30 HG2 LYS 30 101.426 8.701 0.526 136 2HG LYS 30 HG1 LYS 30 101.487 7.742 2.007 137 1HD LYS 30 HD2 LYS 30 103.378 6.873 1.190 138 2HD LYS 30 HD1 LYS 30 102.347 5.973 0.075 139 1HE LYS 30 HE2 LYS 30 102.767 7.407 -1.680 140 2HE LYS 30 HE1 LYS 30 103.170 8.756 -0.618 141 1HZ LYS 30 HZ1 LYS 30 105.298 8.044 -0.367 142 2HZ LYS 30 HZ2 LYS 30 105.010 7.429 -1.915 143 3HZ LYS 30 HZ3 LYS 30 104.915 6.408 -0.569 144 H THR 31 HN THR 31 97.833 5.971 -1.621 145 HA THR 31 HA THR 31 99.635 4.792 -3.491 146 HB THR 31 HB THR 31 96.680 4.559 -2.975 147 HG1 THR 31 HG1 THR 31 97.239 2.664 -2.091 148 1HG2 THR 31 HG21 THR 31 96.535 2.731 -4.534 149 2HG2 THR 31 HG22 THR 31 98.212 2.980 -5.021 150 3HG2 THR 31 HG23 THR 31 96.998 4.210 -5.375 151 H ALA 32 HN ALA 32 96.612 6.645 -3.952 152 HA ALA 32 HA ALA 32 96.908 7.009 -6.715 153 1HB ALA 32 HB1 ALA 32 95.119 8.519 -6.588 154 2HB ALA 32 HB2 ALA 32 95.518 8.989 -4.936 155 3HB ALA 32 HB3 ALA 32 94.839 7.395 -5.258 156 H ALA 33 HN ALA 33 98.317 8.626 -4.002 157 HA ALA 33 HA ALA 33 99.203 10.929 -5.498 158 1HB ALA 33 HB1 ALA 33 100.108 9.996 -2.776 159 2HB ALA 33 HB2 ALA 33 98.700 11.018 -3.066 160 3HB ALA 33 HB3 ALA 33 100.313 11.603 -3.474 161 H GLN 34 HN GLN 34 100.382 7.756 -4.755 162 HA GLN 34 HA GLN 34 103.135 8.355 -5.397 163 1HB GLN 34 HB2 GLN 34 101.681 6.157 -4.239 164 2HB GLN 34 HB1 GLN 34 102.694 5.566 -5.545 165 1HG GLN 34 HG2 GLN 34 103.925 7.431 -3.604 166 2HG GLN 34 HG1 GLN 34 103.563 5.795 -3.052 167 1HE2 GLN 34 HE21 GLN 34 104.220 4.096 -4.786 168 2HE2 GLN 34 HE22 GLN 34 105.823 4.276 -5.406 169 H ASN 35 HN ASN 35 100.471 6.555 -6.914 170 HA ASN 35 HA ASN 35 101.691 5.681 -9.210 171 1HB ASN 35 HB2 ASN 35 99.170 5.667 -8.171 172 2HB ASN 35 HB1 ASN 35 98.961 6.705 -9.575 173 1HD2 ASN 35 HD21 ASN 35 100.107 3.551 -8.528 174 2HD2 ASN 35 HD22 ASN 35 99.819 2.742 -10.028 175 H LEU 36 HN LEU 36 99.831 8.715 -8.845 176 HA LEU 36 HA LEU 36 100.409 9.747 -11.373 177 1HB LEU 36 HB2 LEU 36 98.925 10.436 -9.160 178 2HB LEU 36 HB1 LEU 36 100.117 11.717 -9.244 179 HG LEU 36 HG LEU 36 98.724 11.046 -11.774 180 1HD1 LEU 36 HD11 LEU 36 96.666 11.862 -11.250 181 2HD1 LEU 36 HD12 LEU 36 97.274 12.866 -9.933 182 3HD1 LEU 36 HD13 LEU 36 97.079 11.129 -9.699 183 1HD2 LEU 36 HD21 LEU 36 98.649 13.689 -11.600 184 2HD2 LEU 36 HD22 LEU 36 100.106 12.828 -12.099 185 3HD2 LEU 36 HD23 LEU 36 99.945 13.399 -10.438 186 H TYR 37 HN TYR 37 102.217 9.681 -8.409 187 HA TYR 37 HA TYR 37 104.058 11.747 -8.982 188 1HB TYR 37 HB2 TYR 37 103.687 9.727 -6.943 189 2HB TYR 37 HB1 TYR 37 105.388 9.895 -7.368 190 HD1 TYR 37 HD1 TYR 37 102.490 12.205 -6.831 191 HD2 TYR 37 HD2 TYR 37 106.566 11.314 -5.998 192 HE1 TYR 37 HE1 TYR 37 102.639 14.221 -5.431 193 HE2 TYR 37 HE2 TYR 37 106.726 13.326 -4.593 194 HH TYR 37 HH TYR 37 105.199 14.803 -3.309 195 H GLU 38 HN GLU 38 104.960 8.374 -8.707 196 HA GLU 38 HA GLU 38 106.016 8.193 -11.356 197 1HB GLU 38 HB2 GLU 38 107.730 9.156 -9.218 198 2HB GLU 38 HB1 GLU 38 108.361 7.683 -9.939 199 1HG GLU 38 HG2 GLU 38 107.448 9.854 -11.746 200 2HG GLU 38 HG1 GLU 38 108.972 10.059 -10.882 201 H LYS 39 HN LYS 39 104.292 6.707 -9.432 202 HA LYS 39 HA LYS 39 105.791 4.278 -8.909 203 1HB LYS 39 HB2 LYS 39 104.329 4.301 -7.203 204 2HB LYS 39 HB1 LYS 39 103.289 5.459 -8.010 205 1HG LYS 39 HG2 LYS 39 102.027 3.490 -7.565 206 2HG LYS 39 HG1 LYS 39 102.297 3.587 -9.306 207 1HD LYS 39 HD2 LYS 39 103.364 1.628 -9.321 208 2HD LYS 39 HD1 LYS 39 104.427 2.131 -8.005 209 1HE LYS 39 HE2 LYS 39 103.377 0.443 -6.921 210 2HE LYS 39 HE1 LYS 39 102.185 1.703 -6.609 211 1HZ LYS 39 HZ1 LYS 39 102.022 -0.096 -8.957 212 2HZ LYS 39 HZ2 LYS 39 100.813 0.904 -8.325 213 3HZ LYS 39 HZ3 LYS 39 101.302 -0.471 -7.471 214 H THR 40 HN THR 40 103.393 5.491 -11.149 215 HA THR 40 HA THR 40 103.843 3.153 -12.837 216 HB THR 40 HB THR 40 101.203 4.076 -11.755 217 HG1 THR 40 HG1 THR 40 102.279 2.254 -10.860 218 1HG2 THR 40 HG21 THR 40 100.014 2.785 -13.425 219 2HG2 THR 40 HG22 THR 40 101.524 2.486 -14.286 220 3HG2 THR 40 HG23 THR 40 100.887 4.126 -14.165 221 H TYR 41 HN TYR 41 103.147 6.519 -12.471 222 HA TYR 41 HA TYR 41 102.193 7.320 -14.899 223 1HB TYR 41 HB2 TYR 41 103.216 8.577 -12.708 224 2HB TYR 41 HB1 TYR 41 104.443 8.944 -13.915 225 HD1 TYR 41 HD1 TYR 41 104.133 10.748 -15.351 226 HD2 TYR 41 HD2 TYR 41 100.752 9.070 -13.384 227 HE1 TYR 41 HE1 TYR 41 102.729 12.569 -16.222 228 HE2 TYR 41 HE2 TYR 41 99.339 10.886 -14.253 229 HH TYR 41 HH TYR 41 100.010 12.724 -16.715 230 H LEU 42 HN LEU 42 105.659 7.238 -14.122 231 HA LEU 42 HA LEU 42 106.259 6.084 -16.705 232 1HB LEU 42 HB2 LEU 42 106.769 8.929 -16.041 233 2HB LEU 42 HB1 LEU 42 108.061 8.071 -16.860 234 HG LEU 42 HG LEU 42 105.345 7.834 -18.033 235 1HD1 LEU 42 HD11 LEU 42 106.984 10.357 -18.104 236 2HD1 LEU 42 HD12 LEU 42 105.316 10.168 -17.563 237 3HD1 LEU 42 HD13 LEU 42 105.717 9.976 -19.270 238 1HD2 LEU 42 HD21 LEU 42 108.171 8.022 -19.032 239 2HD2 LEU 42 HD22 LEU 42 106.781 8.138 -20.112 240 3HD2 LEU 42 HD23 LEU 42 107.043 6.673 -19.166 241 HA PRO 43 HA PRO 43 109.239 5.247 -13.120 242 1HB PRO 43 HB2 PRO 43 108.435 2.769 -12.429 243 2HB PRO 43 HB1 PRO 43 107.699 4.218 -11.732 244 1HG PRO 43 HG2 PRO 43 106.709 2.479 -13.960 245 2HG PRO 43 HG1 PRO 43 105.810 3.166 -12.594 246 1HD PRO 43 HD2 PRO 43 105.778 4.258 -15.084 247 2HD PRO 43 HD1 PRO 43 105.599 5.221 -13.603 248 H ALA 44 HN ALA 44 107.995 3.458 -15.845 249 HA ALA 44 HA ALA 44 109.061 2.309 -17.507 250 1HB ALA 44 HB1 ALA 44 111.690 2.815 -16.155 251 2HB ALA 44 HB2 ALA 44 110.869 4.063 -17.093 252 3HB ALA 44 HB3 ALA 44 111.364 2.558 -17.869 253 H VAL 45 HN VAL 45 108.182 1.155 -14.961 254 HA VAL 45 HA VAL 45 109.547 -1.409 -15.224 255 HB VAL 45 HB VAL 45 109.275 0.065 -12.598 256 1HG1 VAL 45 HG11 VAL 45 108.870 -2.498 -12.652 257 2HG1 VAL 45 HG12 VAL 45 109.964 -1.818 -11.450 258 3HG1 VAL 45 HG13 VAL 45 110.613 -2.589 -12.894 259 1HG2 VAL 45 HG21 VAL 45 111.629 -0.687 -14.301 260 2HG2 VAL 45 HG22 VAL 45 111.791 -0.303 -12.588 261 3HG2 VAL 45 HG23 VAL 45 111.163 0.907 -13.708 262 H ASP 46 HN ASP 46 107.492 -0.439 -12.540 263 HA ASP 46 HA ASP 46 105.400 -0.991 -11.909 264 1HB ASP 46 HB2 ASP 46 105.184 -0.883 -14.856 265 2HB ASP 46 HB1 ASP 46 103.890 -1.724 -14.009 266 H GLU 47 HN GLU 47 105.686 -2.722 -10.708 267 HA GLU 47 HA GLU 47 105.924 -4.920 -10.069 268 1HB GLU 47 HB2 GLU 47 103.858 -6.192 -11.298 269 2HB GLU 47 HB1 GLU 47 103.710 -5.170 -9.877 270 1HG GLU 47 HG2 GLU 47 103.067 -3.292 -11.222 271 2HG GLU 47 HG1 GLU 47 103.384 -4.193 -12.705 272 H LYS 48 HN LYS 48 104.728 -5.497 -13.378 273 HA LYS 48 HA LYS 48 105.878 -7.872 -13.918 274 1HB LYS 48 HB2 LYS 48 104.577 -6.047 -15.432 275 2HB LYS 48 HB1 LYS 48 106.192 -5.915 -16.115 276 1HG LYS 48 HG2 LYS 48 104.938 -7.501 -17.392 277 2HG LYS 48 HG1 LYS 48 106.186 -8.363 -16.489 278 1HD LYS 48 HD2 LYS 48 104.566 -9.063 -14.840 279 2HD LYS 48 HD1 LYS 48 103.309 -8.101 -15.618 280 1HE LYS 48 HE2 LYS 48 104.485 -9.831 -17.559 281 2HE LYS 48 HE1 LYS 48 104.048 -10.782 -16.140 282 1HZ LYS 48 HZ1 LYS 48 102.137 -10.789 -17.426 283 2HZ LYS 48 HZ2 LYS 48 102.300 -9.171 -17.888 284 3HZ LYS 48 HZ3 LYS 48 101.824 -9.556 -16.311 285 H LEU 49 HN LEU 49 107.459 -4.778 -13.820 286 HA LEU 49 HA LEU 49 110.045 -6.059 -14.410 287 1HB LEU 49 HB2 LEU 49 109.027 -3.260 -14.703 288 2HB LEU 49 HB1 LEU 49 110.749 -3.549 -14.539 289 HG LEU 49 HG LEU 49 109.071 -4.857 -16.674 290 1HD1 LEU 49 HD11 LEU 49 110.584 -2.257 -16.735 291 2HD1 LEU 49 HD12 LEU 49 108.880 -2.529 -17.093 292 3HD1 LEU 49 HD13 LEU 49 110.119 -3.146 -18.185 293 1HD2 LEU 49 HD21 LEU 49 112.044 -4.445 -16.381 294 2HD2 LEU 49 HD22 LEU 49 111.237 -5.216 -17.746 295 3HD2 LEU 49 HD23 LEU 49 111.181 -5.965 -16.151 296 H ARG 50 HN ARG 50 108.158 -4.413 -11.993 297 HA ARG 50 HA ARG 50 110.486 -4.107 -10.246 298 1HB ARG 50 HB2 ARG 50 108.276 -2.523 -10.640 299 2HB ARG 50 HB1 ARG 50 107.855 -3.382 -9.166 300 1HG ARG 50 HG2 ARG 50 109.777 -2.558 -8.038 301 2HG ARG 50 HG1 ARG 50 110.449 -1.907 -9.535 302 1HD ARG 50 HD2 ARG 50 109.377 -0.220 -8.007 303 2HD ARG 50 HD1 ARG 50 108.775 -0.237 -9.663 304 HE ARG 50 HE ARG 50 107.348 -1.629 -7.497 305 1HH1 ARG 50 HH11 ARG 50 107.372 0.686 -10.122 306 2HH1 ARG 50 HH12 ARG 50 105.657 0.909 -10.096 307 1HH2 ARG 50 HH21 ARG 50 105.098 -1.328 -7.474 308 2HH2 ARG 50 HH22 ARG 50 104.370 -0.231 -8.599 309 H ASP 51 HN ASP 51 109.618 -6.755 -10.873 310 HA ASP 51 HA ASP 51 108.853 -7.638 -8.174 311 1HB ASP 51 HB2 ASP 51 107.592 -8.296 -10.766 312 2HB ASP 51 HB1 ASP 51 107.878 -9.664 -9.695 313 H LEU 52 HN LEU 52 110.505 -8.409 -11.198 314 HA LEU 52 HA LEU 52 111.621 -10.857 -10.482 315 1HB LEU 52 HB2 LEU 52 113.331 -10.403 -12.166 316 2HB LEU 52 HB1 LEU 52 111.734 -9.975 -12.749 317 HG LEU 52 HG LEU 52 112.461 -7.573 -11.857 318 1HD1 LEU 52 HD11 LEU 52 115.091 -8.311 -12.941 319 2HD1 LEU 52 HD12 LEU 52 114.752 -8.893 -11.312 320 3HD1 LEU 52 HD13 LEU 52 114.665 -7.169 -11.669 321 1HD2 LEU 52 HD21 LEU 52 111.848 -7.547 -14.041 322 2HD2 LEU 52 HD22 LEU 52 112.812 -8.969 -14.443 323 3HD2 LEU 52 HD23 LEU 52 113.592 -7.397 -14.268 324 H TYR 53 HN TYR 53 112.660 -7.581 -9.788 325 HA TYR 53 HA TYR 53 115.111 -8.409 -8.493 326 1HB TYR 53 HB2 TYR 53 114.379 -6.128 -9.734 327 2HB TYR 53 HB1 TYR 53 114.035 -5.680 -8.066 328 HD1 TYR 53 HD1 TYR 53 115.868 -5.699 -6.384 329 HD2 TYR 53 HD2 TYR 53 116.618 -6.323 -10.524 330 HE1 TYR 53 HE1 TYR 53 118.256 -5.244 -6.013 331 HE2 TYR 53 HE2 TYR 53 119.008 -5.867 -10.167 332 HH TYR 53 HH TYR 53 120.411 -5.738 -7.076 333 H SER 54 HN SER 54 112.135 -6.757 -7.425 334 HA SER 54 HA SER 54 112.796 -7.045 -4.657 335 1HB SER 54 HB2 SER 54 109.994 -6.428 -5.266 336 2HB SER 54 HB1 SER 54 111.167 -5.527 -4.305 337 HG SER 54 HG SER 54 110.671 -5.426 -7.069 338 H LYS 55 HN LYS 55 112.306 -9.518 -6.367 339 HA LYS 55 HA LYS 55 110.603 -10.780 -4.359 340 1HB LYS 55 HB2 LYS 55 109.417 -10.423 -6.613 341 2HB LYS 55 HB1 LYS 55 110.502 -11.655 -7.242 342 1HG LYS 55 HG2 LYS 55 108.458 -12.718 -6.678 343 2HG LYS 55 HG1 LYS 55 109.649 -13.194 -5.467 344 1HD LYS 55 HD2 LYS 55 107.946 -12.657 -4.061 345 2HD LYS 55 HD1 LYS 55 108.650 -11.048 -4.236 346 1HE LYS 55 HE2 LYS 55 106.562 -10.438 -4.793 347 2HE LYS 55 HE1 LYS 55 106.968 -11.124 -6.366 348 1HZ LYS 55 HZ1 LYS 55 105.774 -13.031 -5.938 349 2HZ LYS 55 HZ2 LYS 55 104.817 -11.863 -5.177 350 3HZ LYS 55 HZ3 LYS 55 105.842 -12.845 -4.258 351 H SER 56 HN SER 56 113.443 -10.810 -6.252 352 HA SER 56 HA SER 56 114.245 -13.430 -6.367 353 1HB SER 56 HB2 SER 56 115.721 -11.764 -7.223 354 2HB SER 56 HB1 SER 56 115.780 -10.918 -5.674 355 HG SER 56 HG SER 56 117.558 -12.521 -6.446 356 H THR 57 HN THR 57 113.979 -11.300 -3.647 357 HA THR 57 HA THR 57 113.616 -13.255 -1.716 358 HB THR 57 HB THR 57 115.964 -13.833 -2.066 359 HG1 THR 57 HG1 THR 57 115.714 -12.376 0.350 360 1HG2 THR 57 HG21 THR 57 117.432 -11.771 -0.983 361 2HG2 THR 57 HG22 THR 57 116.334 -10.963 -2.103 362 3HG2 THR 57 HG23 THR 57 117.390 -12.252 -2.680 363 H ALA 58 HN ALA 58 112.669 -10.639 -2.599 364 HA ALA 58 HA ALA 58 111.723 -8.817 -1.591 365 1HB ALA 58 HB1 ALA 58 112.052 -10.425 0.554 366 2HB ALA 58 HB2 ALA 58 111.432 -8.777 0.656 367 3HB ALA 58 HB3 ALA 58 113.133 -9.101 0.990 368 H ALA 59 HN ALA 59 113.955 -8.723 -3.148 369 HA ALA 59 HA ALA 59 116.170 -7.375 -2.058 370 1HB ALA 59 HB1 ALA 59 116.928 -7.107 -4.215 371 2HB ALA 59 HB2 ALA 59 115.309 -6.859 -4.868 372 3HB ALA 59 HB3 ALA 59 115.829 -8.475 -4.391 373 H MET 60 HN MET 60 113.090 -6.187 -3.198 374 HA MET 60 HA MET 60 113.812 -3.526 -2.176 375 1HB MET 60 HB2 MET 60 112.353 -4.028 -4.773 376 2HB MET 60 HB1 MET 60 112.646 -2.453 -4.052 377 1HG MET 60 HG2 MET 60 115.147 -3.193 -4.171 378 2HG MET 60 HG1 MET 60 114.546 -4.307 -5.397 379 1HE MET 60 HE1 MET 60 115.793 -1.940 -8.043 380 2HE MET 60 HE2 MET 60 115.308 -3.595 -7.673 381 3HE MET 60 HE3 MET 60 116.569 -2.811 -6.720 382 H SER 61 HN SER 61 111.783 -6.086 -1.900 383 HA SER 61 HA SER 61 109.292 -4.681 -1.567 384 1HB SER 61 HB2 SER 61 110.222 -7.495 -1.349 385 2HB SER 61 HB1 SER 61 108.811 -7.050 -0.389 386 HG SER 61 HG SER 61 107.679 -6.689 -2.178 387 H THR 62 HN THR 62 111.460 -6.449 0.637 388 HA THR 62 HA THR 62 110.262 -5.065 2.916 389 HB THR 62 HB THR 62 112.319 -7.281 2.872 390 HG1 THR 62 HG1 THR 62 110.219 -7.829 2.004 391 1HG2 THR 62 HG21 THR 62 112.359 -6.115 4.983 392 2HG2 THR 62 HG22 THR 62 111.600 -7.696 5.178 393 3HG2 THR 62 HG23 THR 62 110.605 -6.241 5.114 394 H TYR 63 HN TYR 63 112.958 -4.819 0.858 395 HA TYR 63 HA TYR 63 114.869 -3.776 2.679 396 1HB TYR 63 HB2 TYR 63 114.778 -4.548 0.009 397 2HB TYR 63 HB1 TYR 63 115.117 -2.824 -0.042 398 HD1 TYR 63 HD1 TYR 63 117.088 -1.960 1.346 399 HD2 TYR 63 HD2 TYR 63 116.488 -6.082 0.481 400 HE1 TYR 63 HE1 TYR 63 119.452 -2.406 1.860 401 HE2 TYR 63 HE2 TYR 63 118.848 -6.539 0.993 402 HH TYR 63 HH TYR 63 120.887 -4.222 2.496 403 H THR 64 HN THR 64 112.228 -2.444 0.844 404 HA THR 64 HA THR 64 112.888 0.248 0.774 405 HB THR 64 HB THR 64 110.071 -0.264 1.434 406 HG1 THR 64 HG1 THR 64 109.661 -1.519 -0.362 407 1HG2 THR 64 HG21 THR 64 110.466 1.753 0.341 408 2HG2 THR 64 HG22 THR 64 109.805 0.696 -0.908 409 3HG2 THR 64 HG23 THR 64 111.541 1.007 -0.842 410 H GLY 65 HN GLY 65 112.006 -1.759 3.400 411 1HA GLY 65 HA2 GLY 65 111.568 0.517 5.188 412 2HA GLY 65 HA1 GLY 65 111.298 -1.177 5.583 413 H ILE 66 HN ILE 66 114.022 -1.728 4.272 414 HA ILE 66 HA ILE 66 115.560 -1.245 6.703 415 HB ILE 66 HB ILE 66 116.363 -2.915 4.325 416 1HG1 ILE 66 HG12 ILE 66 114.238 -3.730 5.273 417 2HG1 ILE 66 HG11 ILE 66 115.556 -4.860 5.567 418 1HG2 ILE 66 HG21 ILE 66 117.445 -3.890 6.727 419 2HG2 ILE 66 HG22 ILE 66 117.674 -2.142 6.751 420 3HG2 ILE 66 HG23 ILE 66 118.292 -3.092 5.402 421 1HD1 ILE 66 HD11 ILE 66 115.342 -3.020 7.750 422 2HD1 ILE 66 HD12 ILE 66 115.198 -4.777 7.745 423 3HD1 ILE 66 HD13 ILE 66 113.781 -3.774 7.430 424 H PHE 67 HN PHE 67 115.168 0.073 3.630 425 HA PHE 67 HA PHE 67 117.786 0.853 2.986 426 1HB PHE 67 HB2 PHE 67 115.329 1.002 1.809 427 2HB PHE 67 HB1 PHE 67 115.629 2.688 2.214 428 HD1 PHE 67 HD1 PHE 67 116.879 -0.206 0.314 429 HD2 PHE 67 HD2 PHE 67 117.255 3.969 1.044 430 HE1 PHE 67 HE1 PHE 67 118.322 0.006 -1.668 431 HE2 PHE 67 HE2 PHE 67 118.697 4.190 -0.937 432 HZ PHE 67 HZ PHE 67 119.232 2.206 -2.296 433 H THR 68 HN THR 68 115.162 2.676 4.525 434 HA THR 68 HA THR 68 116.809 4.916 5.152 435 HB THR 68 HB THR 68 114.503 4.724 6.872 436 HG1 THR 68 HG1 THR 68 113.254 3.633 5.589 437 1HG2 THR 68 HG21 THR 68 115.251 6.866 6.291 438 2HG2 THR 68 HG22 THR 68 113.730 6.646 5.426 439 3HG2 THR 68 HG23 THR 68 115.262 6.483 4.569 440 H ASP 69 HN ASP 69 115.887 1.986 6.831 441 HA ASP 69 HA ASP 69 116.578 2.677 9.439 442 1HB ASP 69 HB2 ASP 69 116.463 0.094 7.934 443 2HB ASP 69 HB1 ASP 69 117.166 0.113 9.548 444 H GLN 70 HN GLN 70 118.567 1.828 6.717 445 HA GLN 70 HA GLN 70 120.961 1.713 8.382 446 1HB GLN 70 HB2 GLN 70 120.281 0.219 6.247 447 2HB GLN 70 HB1 GLN 70 121.182 1.492 5.436 448 1HG GLN 70 HG2 GLN 70 122.876 0.043 5.845 449 2HG GLN 70 HG1 GLN 70 122.936 0.976 7.340 450 1HE2 GLN 70 HE21 GLN 70 122.171 0.054 9.250 451 2HE2 GLN 70 HE22 GLN 70 121.931 -1.649 9.412 452 H VAL 71 HN VAL 71 119.236 4.164 7.432 453 HA VAL 71 HA VAL 71 121.462 5.758 6.342 454 HB VAL 71 HB VAL 71 118.496 6.330 6.388 455 1HG1 VAL 71 HG11 VAL 71 119.474 8.123 4.648 456 2HG1 VAL 71 HG12 VAL 71 120.842 8.017 5.757 457 3HG1 VAL 71 HG13 VAL 71 119.247 8.469 6.362 458 1HG2 VAL 71 HG21 VAL 71 119.645 4.591 4.760 459 2HG2 VAL 71 HG22 VAL 71 120.065 6.059 3.879 460 3HG2 VAL 71 HG23 VAL 71 118.374 5.679 4.202 461 H LEU 72 HN LEU 72 118.734 6.131 8.609 462 HA LEU 72 HA LEU 72 119.935 8.355 9.925 463 1HB LEU 72 HB2 LEU 72 118.074 7.049 11.665 464 2HB LEU 72 HB1 LEU 72 117.926 8.589 10.851 465 HG LEU 72 HG LEU 72 117.175 5.940 9.613 466 1HD1 LEU 72 HD11 LEU 72 115.771 7.627 11.499 467 2HD1 LEU 72 HD12 LEU 72 115.360 6.022 10.893 468 3HD1 LEU 72 HD13 LEU 72 114.885 7.456 9.983 469 1HD2 LEU 72 HD21 LEU 72 116.094 8.502 8.628 470 2HD2 LEU 72 HD22 LEU 72 116.591 7.062 7.741 471 3HD2 LEU 72 HD23 LEU 72 117.804 8.208 8.311 472 H SER 73 HN SER 73 119.835 4.901 10.479 473 HA SER 73 HA SER 73 121.141 4.984 13.029 474 1HB SER 73 HB2 SER 73 119.647 3.115 11.840 475 2HB SER 73 HB1 SER 73 121.238 2.523 11.367 476 HG SER 73 HG SER 73 121.239 1.667 13.286 477 H VAL 74 HN VAL 74 122.213 5.453 9.909 478 HA VAL 74 HA VAL 74 124.963 4.660 10.616 479 HB VAL 74 HB VAL 74 123.752 4.939 7.866 480 1HG1 VAL 74 HG11 VAL 74 126.518 4.651 8.836 481 2HG1 VAL 74 HG12 VAL 74 125.908 5.323 7.324 482 3HG1 VAL 74 HG13 VAL 74 126.064 3.576 7.513 483 1HG2 VAL 74 HG21 VAL 74 122.869 2.961 8.771 484 2HG2 VAL 74 HG22 VAL 74 124.385 2.549 9.571 485 3HG2 VAL 74 HG23 VAL 74 124.256 2.435 7.816 486 H LEU 75 HN LEU 75 122.845 7.237 9.813 487 HA LEU 75 HA LEU 75 125.095 9.004 9.126 488 1HB LEU 75 HB2 LEU 75 123.559 10.508 8.227 489 2HB LEU 75 HB1 LEU 75 122.907 8.941 7.792 490 HG LEU 75 HG LEU 75 121.529 9.275 10.025 491 1HD1 LEU 75 HD11 LEU 75 121.425 12.101 9.221 492 2HD1 LEU 75 HD12 LEU 75 122.882 11.612 10.086 493 3HD1 LEU 75 HD13 LEU 75 121.297 11.367 10.820 494 1HD2 LEU 75 HD21 LEU 75 119.694 9.970 8.714 495 2HD2 LEU 75 HD22 LEU 75 120.733 9.044 7.632 496 3HD2 LEU 75 HD23 LEU 75 120.735 10.806 7.563 497 H LYS 76 HN LYS 76 122.548 8.508 11.489 498 HA LYS 76 HA LYS 76 123.781 10.557 13.207 499 1HB LYS 76 HB2 LYS 76 121.033 9.924 12.500 500 2HB LYS 76 HB1 LYS 76 121.271 9.965 14.242 501 1HG LYS 76 HG2 LYS 76 122.330 12.200 12.583 502 2HG LYS 76 HG1 LYS 76 120.603 12.125 12.932 503 1HD LYS 76 HD2 LYS 76 121.130 12.004 15.343 504 2HD LYS 76 HD1 LYS 76 122.843 12.171 14.954 505 1HE LYS 76 HE2 LYS 76 120.724 14.183 14.209 506 2HE LYS 76 HE1 LYS 76 121.737 14.296 15.648 507 1HZ LYS 76 HZ1 LYS 76 123.128 13.928 13.120 508 2HZ LYS 76 HZ2 LYS 76 123.529 14.898 14.446 509 3HZ LYS 76 HZ3 LYS 76 122.366 15.423 13.335 510 H GLY 77 HN GLY 77 123.408 7.272 12.719 511 1HA GLY 77 HA2 GLY 77 123.898 5.440 14.011 512 2HA GLY 77 HA1 GLY 77 124.613 6.554 15.170 513 H GLU 78 HN GLU 78 121.283 6.623 14.040 514 HA GLU 78 HA GLU 78 120.417 5.620 16.673 515 1HB GLU 78 HB2 GLU 78 120.059 8.327 15.596 516 2HB GLU 78 HB1 GLU 78 118.593 7.601 16.242 517 1HG GLU 78 HG2 GLU 78 121.156 7.649 17.796 518 2HG GLU 78 HG1 GLU 78 120.016 8.994 17.822 519 H GLU 79 HN GLU 79 119.637 6.163 13.295 520 HA GLU 79 HA GLU 79 118.184 5.037 11.928 521 1HB GLU 79 HB2 GLU 79 118.704 3.091 13.564 522 2HB GLU 79 HB1 GLU 79 117.136 3.466 14.264 523 1HG GLU 79 HG2 GLU 79 116.514 3.330 11.628 524 2HG GLU 79 HG1 GLU 79 117.810 2.140 11.741 Start of MODEL 2 1 H THR 13 H THR 13 97.955 15.977 13.725 2 HA THR 13 HA THR 13 96.775 18.366 14.933 3 HB THR 13 HB THR 13 95.395 16.672 12.871 4 HG1 THR 13 HG1 THR 13 96.930 17.459 11.601 5 1HG2 THR 13 HG21 THR 13 93.709 17.982 13.464 6 2HG2 THR 13 HG22 THR 13 94.562 19.279 12.627 7 3HG2 THR 13 HG23 THR 13 94.763 19.070 14.366 8 H PHE 14 HN PHE 14 94.320 17.384 15.377 9 HA PHE 14 HA PHE 14 94.835 15.038 17.080 10 1HB PHE 14 HB2 PHE 14 93.800 17.520 17.715 11 2HB PHE 14 HB1 PHE 14 92.359 16.517 17.572 12 HD1 PHE 14 HD1 PHE 14 92.524 14.187 18.778 13 HD2 PHE 14 HD2 PHE 14 94.896 17.589 19.733 14 HE1 PHE 14 HE1 PHE 14 92.954 13.254 21.016 15 HE2 PHE 14 HE2 PHE 14 95.327 16.665 21.973 16 HZ PHE 14 HZ PHE 14 94.358 14.493 22.614 17 H LEU 15 HN LEU 15 92.811 16.312 14.546 18 HA LEU 15 HA LEU 15 91.063 13.954 14.632 19 1HB LEU 15 HB2 LEU 15 90.765 16.300 12.783 20 2HB LEU 15 HB1 LEU 15 89.541 15.157 13.301 21 HG LEU 15 HG LEU 15 90.846 17.140 15.163 22 1HD1 LEU 15 HD11 LEU 15 88.536 18.267 14.927 23 2HD1 LEU 15 HD12 LEU 15 88.443 17.397 13.395 24 3HD1 LEU 15 HD13 LEU 15 89.752 18.545 13.680 25 1HD2 LEU 15 HD21 LEU 15 88.915 16.651 16.585 26 2HD2 LEU 15 HD22 LEU 15 89.859 15.199 16.255 27 3HD2 LEU 15 HD23 LEU 15 88.340 15.476 15.402 28 H THR 16 HN THR 16 93.439 15.578 12.625 29 HA THR 16 HA THR 16 93.049 14.169 10.234 30 HB THR 16 HB THR 16 95.691 15.184 11.295 31 HG1 THR 16 HG1 THR 16 95.061 17.145 10.840 32 1HG2 THR 16 HG21 THR 16 96.533 14.697 9.316 33 2HG2 THR 16 HG22 THR 16 95.305 15.691 8.535 34 3HG2 THR 16 HG23 THR 16 94.996 13.981 8.833 35 H GLN 17 HN GLN 17 94.620 13.284 13.210 36 HA GLN 17 HA GLN 17 96.146 11.119 12.215 37 1HB GLN 17 HB2 GLN 17 95.624 12.316 14.752 38 2HB GLN 17 HB1 GLN 17 95.348 10.585 14.898 39 1HG GLN 17 HG2 GLN 17 97.706 10.749 13.478 40 2HG GLN 17 HG1 GLN 17 97.830 12.058 14.650 41 1HE2 GLN 17 HE21 GLN 17 97.564 8.629 14.191 42 2HE2 GLN 17 HE22 GLN 17 98.000 8.172 15.799 43 H VAL 18 HN VAL 18 92.801 11.495 13.053 44 HA VAL 18 HA VAL 18 92.231 8.674 13.219 45 HB VAL 18 HB VAL 18 90.249 10.925 12.874 46 1HG1 VAL 18 HG11 VAL 18 89.102 8.936 12.541 47 2HG1 VAL 18 HG12 VAL 18 88.877 9.231 14.266 48 3HG1 VAL 18 HG13 VAL 18 90.078 8.060 13.721 49 1HG2 VAL 18 HG21 VAL 18 91.142 9.762 15.502 50 2HG2 VAL 18 HG22 VAL 18 90.156 11.196 15.218 51 3HG2 VAL 18 HG23 VAL 18 91.871 11.211 14.809 52 H LYS 19 HN LYS 19 91.929 11.226 10.798 53 HA LYS 19 HA LYS 19 90.389 9.803 8.919 54 1HB LYS 19 HB2 LYS 19 91.450 12.342 9.110 55 2HB LYS 19 HB1 LYS 19 92.363 11.641 7.782 56 1HG LYS 19 HG2 LYS 19 90.386 11.222 6.533 57 2HG LYS 19 HG1 LYS 19 89.359 11.609 7.915 58 1HD LYS 19 HD2 LYS 19 90.437 13.930 7.827 59 2HD LYS 19 HD1 LYS 19 91.006 13.464 6.223 60 1HE LYS 19 HE2 LYS 19 88.134 13.530 7.140 61 2HE LYS 19 HE1 LYS 19 88.911 14.708 6.084 62 1HZ LYS 19 HZ1 LYS 19 89.390 12.714 4.593 63 2HZ LYS 19 HZ2 LYS 19 87.797 13.279 4.646 64 3HZ LYS 19 HZ3 LYS 19 88.229 11.891 5.509 65 H GLU 20 HN GLU 20 93.875 10.493 8.898 66 HA GLU 20 HA GLU 20 94.505 8.719 6.820 67 1HB GLU 20 HB2 GLU 20 96.128 9.959 9.026 68 2HB GLU 20 HB1 GLU 20 96.851 8.792 7.928 69 1HG GLU 20 HG2 GLU 20 95.422 10.768 6.426 70 2HG GLU 20 HG1 GLU 20 96.535 11.554 7.543 71 H SER 21 HN SER 21 93.640 8.135 10.070 72 HA SER 21 HA SER 21 94.963 5.588 10.313 73 1HB SER 21 HB2 SER 21 93.751 7.449 12.033 74 2HB SER 21 HB1 SER 21 92.787 5.988 12.158 75 HG SER 21 HG SER 21 95.585 6.230 12.563 76 H LEU 22 HN LEU 22 91.540 6.596 10.307 77 HA LEU 22 HA LEU 22 90.483 4.027 10.015 78 1HB LEU 22 HB2 LEU 22 89.493 6.643 10.219 79 2HB LEU 22 HB1 LEU 22 88.826 6.005 8.728 80 HG LEU 22 HG LEU 22 88.427 3.938 10.513 81 1HD1 LEU 22 HD11 LEU 22 88.088 6.576 11.913 82 2HD1 LEU 22 HD12 LEU 22 89.008 5.168 12.443 83 3HD1 LEU 22 HD13 LEU 22 87.246 5.106 12.405 84 1HD2 LEU 22 HD21 LEU 22 86.898 4.862 8.774 85 2HD2 LEU 22 HD22 LEU 22 86.473 6.148 9.905 86 3HD2 LEU 22 HD23 LEU 22 86.110 4.467 10.301 87 H SER 23 HN SER 23 91.675 6.321 7.684 88 HA SER 23 HA SER 23 90.617 5.052 5.379 89 1HB SER 23 HB2 SER 23 91.668 7.444 5.683 90 2HB SER 23 HB1 SER 23 93.175 6.616 5.299 91 H SER 24 HN SER 24 93.711 4.874 7.062 92 HA SER 24 HA SER 24 94.847 2.950 5.299 93 1HB SER 24 HB2 SER 24 95.581 3.635 8.151 94 2HB SER 24 HB1 SER 24 96.562 2.677 7.042 95 HG SER 24 HG SER 24 96.544 5.293 7.307 96 H TYR 25 HN TYR 25 92.757 2.774 8.093 97 HA TYR 25 HA TYR 25 93.176 0.166 8.943 98 1HB TYR 25 HB2 TYR 25 91.431 2.246 9.478 99 2HB TYR 25 HB1 TYR 25 90.372 0.977 8.885 100 HD1 TYR 25 HD1 TYR 25 90.436 -1.287 10.045 101 HD2 TYR 25 HD2 TYR 25 92.301 2.179 11.661 102 HE1 TYR 25 HE1 TYR 25 90.485 -2.354 12.259 103 HE2 TYR 25 HE2 TYR 25 92.358 1.121 13.879 104 HH TYR 25 HH TYR 25 91.322 -0.610 15.125 105 H TRP 26 HN TRP 26 91.452 1.474 6.213 106 HA TRP 26 HA TRP 26 90.695 -1.233 5.344 107 1HB TRP 26 HB2 TRP 26 89.244 1.196 5.435 108 2HB TRP 26 HB1 TRP 26 89.518 0.839 3.733 109 HD1 TRP 26 HD1 TRP 26 87.748 -0.547 6.836 110 HE1 TRP 26 HE1 TRP 26 86.043 -2.322 6.085 111 HE3 TRP 26 HE3 TRP 26 88.977 -0.817 1.877 112 HZ2 TRP 26 HZ2 TRP 26 85.310 -3.657 3.711 113 HZ3 TRP 26 HZ3 TRP 26 87.720 -2.370 0.436 114 HH2 TRP 26 HH2 TRP 26 85.927 -3.760 1.337 115 H GLU 27 HN GLU 27 92.771 1.428 4.693 116 HA GLU 27 HA GLU 27 93.132 0.979 1.893 117 1HB GLU 27 HB2 GLU 27 93.824 3.015 3.497 118 2HB GLU 27 HB1 GLU 27 95.354 2.154 3.479 119 1HG GLU 27 HG2 GLU 27 93.875 2.997 0.999 120 2HG GLU 27 HG1 GLU 27 95.137 3.955 1.773 121 H SER 28 HN SER 28 94.743 -0.175 4.806 122 HA SER 28 HA SER 28 96.901 -1.444 3.489 123 1HB SER 28 HB2 SER 28 97.259 -1.102 5.767 124 2HB SER 28 HB1 SER 28 95.667 -1.715 6.215 125 HG SER 28 HG SER 28 98.025 -3.061 5.798 126 H ALA 29 HN ALA 29 93.687 -2.506 4.468 127 HA ALA 29 HA ALA 29 93.994 -5.228 3.811 128 1HB ALA 29 HB1 ALA 29 91.449 -5.123 3.549 129 2HB ALA 29 HB2 ALA 29 91.594 -3.424 4.001 130 3HB ALA 29 HB3 ALA 29 92.113 -4.682 5.123 131 H LYS 30 HN LYS 30 93.295 -2.348 1.976 132 HA LYS 30 HA LYS 30 92.696 -3.765 -0.476 133 1HB LYS 30 HB2 LYS 30 93.136 -0.842 0.156 134 2HB LYS 30 HB1 LYS 30 92.812 -1.437 -1.465 135 1HG LYS 30 HG2 LYS 30 90.845 -2.462 0.347 136 2HG LYS 30 HG1 LYS 30 90.962 -0.708 0.510 137 1HD LYS 30 HD2 LYS 30 90.913 -1.822 -2.241 138 2HD LYS 30 HD1 LYS 30 89.409 -1.874 -1.319 139 1HE LYS 30 HE2 LYS 30 89.451 0.166 -2.584 140 2HE LYS 30 HE1 LYS 30 89.665 0.563 -0.879 141 1HZ LYS 30 HZ1 LYS 30 91.989 0.876 -1.217 142 2HZ LYS 30 HZ2 LYS 30 91.181 1.771 -2.404 143 3HZ LYS 30 HZ3 LYS 30 91.908 0.297 -2.806 144 H THR 31 HN THR 31 95.448 -2.495 1.180 145 HA THR 31 HA THR 31 97.181 -2.290 -1.081 146 HB THR 31 HB THR 31 97.674 -2.396 1.898 147 HG1 THR 31 HG1 THR 31 96.959 -0.435 1.561 148 1HG2 THR 31 HG21 THR 31 99.899 -2.139 1.659 149 2HG2 THR 31 HG22 THR 31 99.756 -1.369 0.079 150 3HG2 THR 31 HG23 THR 31 99.595 -3.118 0.225 151 H ALA 32 HN ALA 32 97.062 -4.543 1.688 152 HA ALA 32 HA ALA 32 98.880 -6.392 0.583 153 1HB ALA 32 HB1 ALA 32 97.568 -7.957 2.273 154 2HB ALA 32 HB2 ALA 32 96.943 -6.407 2.836 155 3HB ALA 32 HB3 ALA 32 98.680 -6.709 2.836 156 H ALA 33 HN ALA 33 95.533 -5.772 0.064 157 HA ALA 33 HA ALA 33 94.966 -8.337 -1.148 158 1HB ALA 33 HB1 ALA 33 92.871 -6.980 -1.942 159 2HB ALA 33 HB2 ALA 33 93.417 -5.813 -0.740 160 3HB ALA 33 HB3 ALA 33 93.024 -7.463 -0.252 161 H GLN 34 HN GLN 34 96.196 -5.241 -2.103 162 HA GLN 34 HA GLN 34 95.583 -5.525 -4.866 163 1HB GLN 34 HB2 GLN 34 96.704 -3.492 -3.204 164 2HB GLN 34 HB1 GLN 34 97.817 -3.776 -4.537 165 1HG GLN 34 HG2 GLN 34 95.733 -3.602 -6.028 166 2HG GLN 34 HG1 GLN 34 94.964 -2.868 -4.628 167 1HE2 GLN 34 HE21 GLN 34 94.761 -1.101 -6.227 168 2HE2 GLN 34 HE22 GLN 34 96.055 0.037 -6.346 169 H ASN 35 HN ASN 35 98.461 -6.040 -2.914 170 HA ASN 35 HA ASN 35 100.193 -6.808 -4.944 171 1HB ASN 35 HB2 ASN 35 100.351 -6.389 -2.259 172 2HB ASN 35 HB1 ASN 35 100.546 -8.138 -2.357 173 1HD2 ASN 35 HD21 ASN 35 101.882 -5.045 -3.261 174 2HD2 ASN 35 HD22 ASN 35 103.455 -5.621 -3.684 175 H LEU 36 HN LEU 36 97.985 -8.654 -2.962 176 HA LEU 36 HA LEU 36 98.775 -11.208 -3.601 177 1HB LEU 36 HB2 LEU 36 96.799 -9.957 -2.142 178 2HB LEU 36 HB1 LEU 36 95.913 -10.928 -3.298 179 HG LEU 36 HG LEU 36 97.445 -12.866 -2.522 180 1HD1 LEU 36 HD11 LEU 36 98.881 -11.144 -1.237 181 2HD1 LEU 36 HD12 LEU 36 98.522 -12.694 -0.476 182 3HD1 LEU 36 HD13 LEU 36 97.619 -11.252 -0.009 183 1HD2 LEU 36 HD21 LEU 36 95.872 -13.480 -0.859 184 2HD2 LEU 36 HD22 LEU 36 94.994 -12.536 -2.062 185 3HD2 LEU 36 HD23 LEU 36 95.462 -11.797 -0.530 186 H TYR 37 HN TYR 37 96.591 -9.064 -5.453 187 HA TYR 37 HA TYR 37 96.987 -10.752 -7.753 188 1HB TYR 37 HB2 TYR 37 94.776 -11.292 -6.028 189 2HB TYR 37 HB1 TYR 37 94.157 -10.710 -7.570 190 HD1 TYR 37 HD1 TYR 37 95.202 -11.835 -9.693 191 HD2 TYR 37 HD2 TYR 37 95.298 -13.529 -5.794 192 HE1 TYR 37 HE1 TYR 37 95.576 -14.056 -10.674 193 HE2 TYR 37 HE2 TYR 37 95.673 -15.755 -6.764 194 HH TYR 37 HH TYR 37 96.189 -16.882 -8.655 195 H GLU 38 HN GLU 38 96.096 -7.764 -6.458 196 HA GLU 38 HA GLU 38 94.592 -6.847 -8.736 197 1HB GLU 38 HB2 GLU 38 95.654 -5.581 -6.283 198 2HB GLU 38 HB1 GLU 38 95.312 -4.538 -7.644 199 1HG GLU 38 HG2 GLU 38 93.137 -6.363 -7.126 200 2HG GLU 38 HG1 GLU 38 93.531 -5.391 -5.710 201 H LYS 39 HN LYS 39 97.866 -6.259 -7.504 202 HA LYS 39 HA LYS 39 98.599 -4.723 -9.794 203 1HB LYS 39 HB2 LYS 39 100.930 -4.951 -8.909 204 2HB LYS 39 HB1 LYS 39 99.780 -4.280 -7.763 205 1HG LYS 39 HG2 LYS 39 99.596 -6.468 -6.682 206 2HG LYS 39 HG1 LYS 39 100.780 -7.121 -7.816 207 1HD LYS 39 HD2 LYS 39 101.339 -4.761 -6.030 208 2HD LYS 39 HD1 LYS 39 101.670 -6.422 -5.553 209 1HE LYS 39 HE2 LYS 39 103.675 -6.097 -6.465 210 2HE LYS 39 HE1 LYS 39 102.846 -6.302 -8.007 211 1HZ LYS 39 HZ1 LYS 39 102.854 -3.627 -6.841 212 2HZ LYS 39 HZ2 LYS 39 102.962 -4.099 -8.461 213 3HZ LYS 39 HZ3 LYS 39 104.322 -4.196 -7.460 214 H THR 40 HN THR 40 98.959 -8.072 -8.822 215 HA THR 40 HA THR 40 100.625 -8.789 -11.001 216 HB THR 40 HB THR 40 98.916 -10.633 -9.353 217 HG1 THR 40 HG1 THR 40 100.649 -10.733 -7.933 218 1HG2 THR 40 HG21 THR 40 100.766 -11.092 -11.429 219 2HG2 THR 40 HG22 THR 40 99.918 -12.267 -10.424 220 3HG2 THR 40 HG23 THR 40 101.492 -11.648 -9.922 221 H TYR 41 HN TYR 41 97.243 -8.352 -10.618 222 HA TYR 41 HA TYR 41 96.204 -10.099 -12.517 223 1HB TYR 41 HB2 TYR 41 95.186 -8.150 -10.872 224 2HB TYR 41 HB1 TYR 41 94.917 -7.468 -12.468 225 HD1 TYR 41 HD1 TYR 41 93.354 -8.477 -14.009 226 HD2 TYR 41 HD2 TYR 41 94.066 -10.221 -10.198 227 HE1 TYR 41 HE1 TYR 41 91.349 -9.871 -14.280 228 HE2 TYR 41 HE2 TYR 41 92.067 -11.622 -10.454 229 HH TYR 41 HH TYR 41 89.911 -11.266 -13.236 230 H LEU 42 HN LEU 42 97.609 -6.893 -12.912 231 HA LEU 42 HA LEU 42 97.863 -7.414 -15.770 232 1HB LEU 42 HB2 LEU 42 96.480 -5.017 -14.597 233 2HB LEU 42 HB1 LEU 42 97.125 -5.024 -16.224 234 HG LEU 42 HG LEU 42 95.423 -7.323 -15.784 235 1HD1 LEU 42 HD11 LEU 42 93.535 -6.476 -14.938 236 2HD1 LEU 42 HD12 LEU 42 93.709 -4.960 -15.820 237 3HD1 LEU 42 HD13 LEU 42 94.563 -5.194 -14.296 238 1HD2 LEU 42 HD21 LEU 42 96.200 -5.769 -17.880 239 2HD2 LEU 42 HD22 LEU 42 94.554 -5.200 -17.607 240 3HD2 LEU 42 HD23 LEU 42 94.856 -6.910 -17.916 241 HA PRO 43 HA PRO 43 100.911 -3.854 -14.730 242 1HB PRO 43 HB2 PRO 43 100.962 -2.809 -12.240 243 2HB PRO 43 HB1 PRO 43 99.874 -2.208 -13.499 244 1HG PRO 43 HG2 PRO 43 99.311 -4.116 -11.264 245 2HG PRO 43 HG1 PRO 43 98.345 -2.737 -11.819 246 1HD PRO 43 HD2 PRO 43 97.764 -5.278 -12.517 247 2HD PRO 43 HD1 PRO 43 97.471 -3.908 -13.603 248 H ALA 44 HN ALA 44 101.577 -6.373 -14.638 249 HA ALA 44 HA ALA 44 103.736 -6.464 -12.715 250 1HB ALA 44 HB1 ALA 44 102.357 -9.015 -12.663 251 2HB ALA 44 HB2 ALA 44 101.383 -7.698 -12.013 252 3HB ALA 44 HB3 ALA 44 102.974 -8.033 -11.334 253 H VAL 45 HN VAL 45 103.058 -6.538 -15.710 254 HA VAL 45 HA VAL 45 104.426 -9.028 -16.443 255 HB VAL 45 HB VAL 45 103.148 -7.008 -18.286 256 1HG1 VAL 45 HG11 VAL 45 104.798 -9.250 -18.750 257 2HG1 VAL 45 HG12 VAL 45 103.944 -8.262 -19.934 258 3HG1 VAL 45 HG13 VAL 45 103.168 -9.694 -19.258 259 1HG2 VAL 45 HG21 VAL 45 101.945 -9.025 -16.560 260 2HG2 VAL 45 HG22 VAL 45 101.505 -9.211 -18.259 261 3HG2 VAL 45 HG23 VAL 45 101.199 -7.684 -17.430 262 H ASP 46 HN ASP 46 104.611 -5.519 -16.743 263 HA ASP 46 HA ASP 46 107.007 -5.508 -18.268 264 1HB ASP 46 HB2 ASP 46 105.172 -3.568 -17.277 265 2HB ASP 46 HB1 ASP 46 106.791 -3.098 -16.764 266 H GLU 47 HN GLU 47 106.306 -5.277 -14.807 267 HA GLU 47 HA GLU 47 108.941 -4.745 -14.003 268 1HB GLU 47 HB2 GLU 47 106.802 -6.243 -12.486 269 2HB GLU 47 HB1 GLU 47 108.234 -5.491 -11.792 270 1HG GLU 47 HG2 GLU 47 107.446 -3.329 -12.208 271 2HG GLU 47 HG1 GLU 47 106.237 -3.898 -13.354 272 H LYS 48 HN LYS 48 107.174 -7.839 -14.092 273 HA LYS 48 HA LYS 48 109.244 -9.509 -13.369 274 1HB LYS 48 HB2 LYS 48 106.659 -9.796 -14.574 275 2HB LYS 48 HB1 LYS 48 107.798 -10.852 -15.399 276 1HG LYS 48 HG2 LYS 48 108.195 -11.031 -12.566 277 2HG LYS 48 HG1 LYS 48 106.494 -11.301 -12.958 278 1HD LYS 48 HD2 LYS 48 108.667 -12.666 -14.505 279 2HD LYS 48 HD1 LYS 48 108.105 -13.323 -12.967 280 1HE LYS 48 HE2 LYS 48 106.186 -14.066 -13.863 281 2HE LYS 48 HE1 LYS 48 105.941 -12.585 -14.787 282 1HZ LYS 48 HZ1 LYS 48 106.358 -14.780 -16.032 283 2HZ LYS 48 HZ2 LYS 48 107.982 -14.535 -15.631 284 3HZ LYS 48 HZ3 LYS 48 107.159 -13.385 -16.557 285 H LEU 49 HN LEU 49 108.565 -8.048 -16.502 286 HA LEU 49 HA LEU 49 110.747 -9.474 -17.766 287 1HB LEU 49 HB2 LEU 49 109.962 -8.705 -19.771 288 2HB LEU 49 HB1 LEU 49 108.491 -8.701 -18.816 289 HG LEU 49 HG LEU 49 109.105 -6.196 -18.389 290 1HD1 LEU 49 HD11 LEU 49 111.119 -5.765 -19.345 291 2HD1 LEU 49 HD12 LEU 49 110.074 -5.416 -20.722 292 3HD1 LEU 49 HD13 LEU 49 110.899 -6.970 -20.615 293 1HD2 LEU 49 HD21 LEU 49 107.154 -7.152 -19.634 294 2HD2 LEU 49 HD22 LEU 49 108.120 -7.023 -21.105 295 3HD2 LEU 49 HD23 LEU 49 107.700 -5.572 -20.194 296 H ARG 50 HN ARG 50 110.411 -6.678 -15.885 297 HA ARG 50 HA ARG 50 113.150 -6.052 -16.051 298 1HB ARG 50 HB2 ARG 50 113.010 -3.801 -17.053 299 2HB ARG 50 HB1 ARG 50 112.624 -5.075 -18.199 300 1HG ARG 50 HG2 ARG 50 110.193 -4.606 -17.712 301 2HG ARG 50 HG1 ARG 50 110.734 -3.168 -16.849 302 1HD ARG 50 HD2 ARG 50 111.591 -3.702 -19.670 303 2HD ARG 50 HD1 ARG 50 110.036 -2.954 -19.321 304 HE ARG 50 HE ARG 50 111.124 -1.031 -18.637 305 1HH1 ARG 50 HH11 ARG 50 113.446 -3.563 -19.277 306 2HH1 ARG 50 HH12 ARG 50 114.809 -2.499 -19.206 307 1HH2 ARG 50 HH21 ARG 50 112.925 0.360 -18.524 308 2HH2 ARG 50 HH22 ARG 50 114.516 -0.280 -18.770 309 H ASP 51 HN ASP 51 113.148 -6.007 -13.861 310 HA ASP 51 HA ASP 51 112.341 -3.581 -12.600 311 1HB ASP 51 HB2 ASP 51 110.429 -5.666 -12.562 312 2HB ASP 51 HB1 ASP 51 111.111 -5.581 -10.944 313 H LEU 52 HN LEU 52 113.323 -6.953 -12.106 314 HA LEU 52 HA LEU 52 114.515 -6.803 -9.639 315 1HB LEU 52 HB2 LEU 52 116.118 -8.544 -10.496 316 2HB LEU 52 HB1 LEU 52 114.415 -8.908 -10.695 317 HG LEU 52 HG LEU 52 115.439 -7.583 -13.049 318 1HD1 LEU 52 HD11 LEU 52 117.110 -9.685 -11.849 319 2HD1 LEU 52 HD12 LEU 52 117.522 -8.438 -13.027 320 3HD1 LEU 52 HD13 LEU 52 116.708 -9.913 -13.551 321 1HD2 LEU 52 HD21 LEU 52 113.399 -9.145 -12.603 322 2HD2 LEU 52 HD22 LEU 52 114.563 -10.432 -12.919 323 3HD2 LEU 52 HD23 LEU 52 114.242 -9.212 -14.151 324 H TYR 53 HN TYR 53 115.558 -5.342 -12.609 325 HA TYR 53 HA TYR 53 118.255 -4.810 -11.730 326 1HB TYR 53 HB2 TYR 53 117.150 -4.925 -14.185 327 2HB TYR 53 HB1 TYR 53 117.070 -3.188 -13.907 328 HD1 TYR 53 HD1 TYR 53 119.445 -6.051 -13.753 329 HD2 TYR 53 HD2 TYR 53 118.955 -1.863 -14.331 330 HE1 TYR 53 HE1 TYR 53 121.831 -5.853 -14.313 331 HE2 TYR 53 HE2 TYR 53 121.340 -1.659 -14.899 332 HH TYR 53 HH TYR 53 123.379 -4.459 -15.320 333 H SER 54 HN SER 54 115.441 -2.720 -12.457 334 HA SER 54 HA SER 54 116.649 -0.542 -10.976 335 1HB SER 54 HB2 SER 54 115.071 -0.495 -13.144 336 2HB SER 54 HB1 SER 54 113.832 -0.323 -11.901 337 HG SER 54 HG SER 54 114.986 1.647 -12.799 338 H LYS 55 HN LYS 55 115.657 -3.109 -9.678 339 HA LYS 55 HA LYS 55 114.382 -1.764 -7.456 340 1HB LYS 55 HB2 LYS 55 112.933 -3.532 -9.211 341 2HB LYS 55 HB1 LYS 55 112.979 -4.187 -7.579 342 1HG LYS 55 HG2 LYS 55 112.424 -1.416 -7.388 343 2HG LYS 55 HG1 LYS 55 111.363 -2.096 -8.621 344 1HD LYS 55 HD2 LYS 55 111.435 -3.890 -6.408 345 2HD LYS 55 HD1 LYS 55 111.134 -2.262 -5.796 346 1HE LYS 55 HE2 LYS 55 109.442 -2.205 -7.830 347 2HE LYS 55 HE1 LYS 55 109.485 -3.952 -7.604 348 1HZ LYS 55 HZ1 LYS 55 107.705 -2.794 -6.346 349 2HZ LYS 55 HZ2 LYS 55 108.897 -2.021 -5.429 350 3HZ LYS 55 HZ3 LYS 55 108.745 -3.704 -5.369 351 H SER 56 HN SER 56 115.545 -4.924 -8.646 352 HA SER 56 HA SER 56 116.443 -5.530 -5.927 353 1HB SER 56 HB2 SER 56 116.101 -7.221 -8.384 354 2HB SER 56 HB1 SER 56 117.050 -7.781 -7.009 355 HG SER 56 HG SER 56 115.209 -7.524 -5.707 356 H THR 57 HN THR 57 117.702 -3.776 -8.260 357 HA THR 57 HA THR 57 120.431 -4.644 -7.626 358 HB THR 57 HB THR 57 119.459 -3.769 -10.352 359 HG1 THR 57 HG1 THR 57 119.437 -5.811 -10.749 360 1HG2 THR 57 HG21 THR 57 122.158 -3.787 -9.213 361 2HG2 THR 57 HG22 THR 57 121.515 -2.925 -10.610 362 3HG2 THR 57 HG23 THR 57 121.988 -4.617 -10.760 363 H ALA 58 HN ALA 58 118.161 -2.064 -8.272 364 HA ALA 58 HA ALA 58 120.216 -0.118 -7.460 365 1HB ALA 58 HB1 ALA 58 119.128 0.152 -9.745 366 2HB ALA 58 HB2 ALA 58 119.136 1.563 -8.687 367 3HB ALA 58 HB3 ALA 58 117.668 0.606 -8.868 368 H ALA 59 HN ALA 59 116.715 -0.810 -7.114 369 HA ALA 59 HA ALA 59 116.299 1.048 -5.040 370 1HB ALA 59 HB1 ALA 59 114.287 0.376 -5.869 371 2HB ALA 59 HB2 ALA 59 114.378 -0.658 -4.443 372 3HB ALA 59 HB3 ALA 59 114.790 -1.304 -6.024 373 H MET 60 HN MET 60 118.023 -1.890 -5.033 374 HA MET 60 HA MET 60 117.736 -2.105 -2.108 375 1HB MET 60 HB2 MET 60 118.646 -4.338 -2.290 376 2HB MET 60 HB1 MET 60 117.288 -4.164 -3.391 377 1HG MET 60 HG2 MET 60 118.613 -5.038 -4.931 378 2HG MET 60 HG1 MET 60 119.435 -3.481 -4.957 379 1HE MET 60 HE1 MET 60 121.344 -4.325 -5.930 380 2HE MET 60 HE2 MET 60 121.428 -6.084 -5.839 381 3HE MET 60 HE3 MET 60 122.686 -5.100 -5.091 382 H SER 61 HN SER 61 120.097 -1.779 -4.704 383 HA SER 61 HA SER 61 122.366 -1.747 -2.963 384 1HB SER 61 HB2 SER 61 122.558 -2.404 -5.339 385 2HB SER 61 HB1 SER 61 122.110 -0.767 -5.820 386 HG SER 61 HG SER 61 124.018 -0.018 -5.128 387 H THR 62 HN THR 62 120.179 0.623 -4.290 388 HA THR 62 HA THR 62 121.769 2.882 -3.491 389 HB THR 62 HB THR 62 118.845 2.904 -4.238 390 HG1 THR 62 HG1 THR 62 121.125 2.620 -5.848 391 1HG2 THR 62 HG21 THR 62 120.894 4.992 -4.858 392 2HG2 THR 62 HG22 THR 62 120.000 4.988 -3.337 393 3HG2 THR 62 HG23 THR 62 119.135 5.124 -4.868 394 H TYR 63 HN TYR 63 119.126 0.994 -2.172 395 HA TYR 63 HA TYR 63 118.507 2.819 -0.065 396 1HB TYR 63 HB2 TYR 63 117.430 0.477 -1.185 397 2HB TYR 63 HB1 TYR 63 117.761 0.114 0.500 398 HD1 TYR 63 HD1 TYR 63 116.659 1.416 2.289 399 HD2 TYR 63 HD2 TYR 63 115.692 2.002 -1.810 400 HE1 TYR 63 HE1 TYR 63 114.616 2.614 2.951 401 HE2 TYR 63 HE2 TYR 63 113.644 3.202 -1.160 402 HH TYR 63 HH TYR 63 112.256 3.690 0.565 403 H THR 64 HN THR 64 120.665 0.106 -0.517 404 HA THR 64 HA THR 64 121.239 -0.566 2.115 405 HB THR 64 HB THR 64 123.689 -0.777 0.799 406 HG1 THR 64 HG1 THR 64 123.137 -0.388 -1.207 407 1HG2 THR 64 HG21 THR 64 122.187 -2.512 2.047 408 2HG2 THR 64 HG22 THR 64 123.360 -3.039 0.840 409 3HG2 THR 64 HG23 THR 64 121.653 -2.910 0.414 410 H GLY 65 HN GLY 65 121.987 2.237 0.323 411 1HA GLY 65 HA2 GLY 65 124.038 3.138 2.192 412 2HA GLY 65 HA1 GLY 65 123.529 3.963 0.725 413 H ILE 66 HN ILE 66 120.645 3.453 1.640 414 HA ILE 66 HA ILE 66 120.471 5.879 3.245 415 HB ILE 66 HB ILE 66 118.204 4.290 2.047 416 1HG1 ILE 66 HG12 ILE 66 119.758 5.006 0.290 417 2HG1 ILE 66 HG11 ILE 66 118.237 5.888 0.195 418 1HG2 ILE 66 HG21 ILE 66 118.355 6.648 3.706 419 2HG2 ILE 66 HG22 ILE 66 116.954 5.688 3.233 420 3HG2 ILE 66 HG23 ILE 66 117.531 6.982 2.183 421 1HD1 ILE 66 HD11 ILE 66 120.281 7.260 -0.174 422 2HD1 ILE 66 HD12 ILE 66 120.712 6.972 1.511 423 3HD1 ILE 66 HD13 ILE 66 119.230 7.844 1.116 424 H PHE 67 HN PHE 67 120.597 2.586 3.725 425 HA PHE 67 HA PHE 67 118.700 2.241 5.796 426 1HB PHE 67 HB2 PHE 67 120.382 0.643 4.294 427 2HB PHE 67 HB1 PHE 67 121.055 0.524 5.913 428 HD1 PHE 67 HD1 PHE 67 120.172 -1.023 7.390 429 HD2 PHE 67 HD2 PHE 67 117.809 0.296 4.106 430 HE1 PHE 67 HE1 PHE 67 118.437 -2.663 7.983 431 HE2 PHE 67 HE2 PHE 67 116.070 -1.340 4.695 432 HZ PHE 67 HZ PHE 67 116.382 -2.823 6.636 433 H THR 68 HN THR 68 122.216 2.643 5.825 434 HA THR 68 HA THR 68 122.517 2.759 8.607 435 HB THR 68 HB THR 68 124.439 4.327 7.022 436 HG1 THR 68 HG1 THR 68 124.511 2.959 5.449 437 1HG2 THR 68 HG21 THR 68 126.026 3.306 8.291 438 2HG2 THR 68 HG22 THR 68 125.109 1.807 8.436 439 3HG2 THR 68 HG23 THR 68 124.652 3.217 9.391 440 H ASP 69 HN ASP 69 121.475 5.161 6.337 441 HA ASP 69 HA ASP 69 122.149 7.529 7.579 442 1HB ASP 69 HB2 ASP 69 119.820 6.710 5.888 443 2HB ASP 69 HB1 ASP 69 119.845 8.315 6.612 444 H GLN 70 HN GLN 70 119.982 5.119 8.715 445 HA GLN 70 HA GLN 70 118.882 6.987 10.701 446 1HB GLN 70 HB2 GLN 70 117.790 4.668 9.284 447 2HB GLN 70 HB1 GLN 70 117.478 4.644 11.014 448 1HG GLN 70 HG2 GLN 70 116.928 7.258 10.155 449 2HG GLN 70 HG1 GLN 70 116.209 6.178 8.960 450 1HE2 GLN 70 HE21 GLN 70 115.444 4.055 10.443 451 2HE2 GLN 70 HE22 GLN 70 114.246 4.523 11.597 452 H VAL 71 HN VAL 71 121.461 5.122 10.476 453 HA VAL 71 HA VAL 71 121.199 3.838 13.108 454 HB VAL 71 HB VAL 71 123.303 3.507 10.963 455 1HG1 VAL 71 HG11 VAL 71 124.261 3.228 13.192 456 2HG1 VAL 71 HG12 VAL 71 124.175 1.684 12.345 457 3HG1 VAL 71 HG13 VAL 71 122.994 2.069 13.596 458 1HG2 VAL 71 HG21 VAL 71 122.002 1.081 11.551 459 2HG2 VAL 71 HG22 VAL 71 121.910 2.028 10.070 460 3HG2 VAL 71 HG23 VAL 71 120.739 2.296 11.358 461 H LEU 72 HN LEU 72 123.392 5.947 11.248 462 HA LEU 72 HA LEU 72 124.872 6.558 13.629 463 1HB LEU 72 HB2 LEU 72 125.937 8.296 12.003 464 2HB LEU 72 HB1 LEU 72 126.330 6.604 11.851 465 HG LEU 72 HG LEU 72 124.103 7.634 10.173 466 1HD1 LEU 72 HD11 LEU 72 127.007 8.321 9.795 467 2HD1 LEU 72 HD12 LEU 72 125.620 9.407 9.808 468 3HD1 LEU 72 HD13 LEU 72 125.853 8.294 8.461 469 1HD2 LEU 72 HD21 LEU 72 125.282 5.235 10.362 470 2HD2 LEU 72 HD22 LEU 72 126.327 5.973 9.147 471 3HD2 LEU 72 HD23 LEU 72 124.593 5.850 8.859 472 H SER 73 HN SER 73 122.169 7.749 11.903 473 HA SER 73 HA SER 73 122.269 10.412 12.952 474 1HB SER 73 HB2 SER 73 121.128 9.708 10.791 475 2HB SER 73 HB1 SER 73 119.837 9.074 11.812 476 HG SER 73 HG SER 73 119.648 11.339 11.031 477 H VAL 74 HN VAL 74 121.508 7.468 14.333 478 HA VAL 74 HA VAL 74 119.952 8.832 16.424 479 HB VAL 74 HB VAL 74 119.385 6.045 15.447 480 1HG1 VAL 74 HG11 VAL 74 117.217 6.543 16.759 481 2HG1 VAL 74 HG12 VAL 74 118.150 7.832 17.518 482 3HG1 VAL 74 HG13 VAL 74 118.676 6.155 17.671 483 1HG2 VAL 74 HG21 VAL 74 118.822 8.156 13.943 484 2HG2 VAL 74 HG22 VAL 74 117.442 8.256 15.033 485 3HG2 VAL 74 HG23 VAL 74 117.713 6.795 14.083 486 H LEU 75 HN LEU 75 122.499 6.714 15.580 487 HA LEU 75 HA LEU 75 122.830 6.021 18.430 488 1HB LEU 75 HB2 LEU 75 123.988 4.292 16.294 489 2HB LEU 75 HB1 LEU 75 123.521 3.881 17.933 490 HG LEU 75 HG LEU 75 121.546 4.502 15.738 491 1HD1 LEU 75 HD11 LEU 75 123.078 2.427 15.479 492 2HD1 LEU 75 HD12 LEU 75 121.337 2.261 15.247 493 3HD1 LEU 75 HD13 LEU 75 122.079 1.750 16.764 494 1HD2 LEU 75 HD21 LEU 75 120.366 2.891 17.652 495 2HD2 LEU 75 HD22 LEU 75 120.124 4.625 17.446 496 3HD2 LEU 75 HD23 LEU 75 121.327 4.034 18.592 497 H LYS 76 HN LYS 76 124.301 7.510 15.671 498 HA LYS 76 HA LYS 76 126.941 7.362 16.975 499 1HB LYS 76 HB2 LYS 76 126.055 7.503 14.217 500 2HB LYS 76 HB1 LYS 76 127.262 8.717 14.568 501 1HG LYS 76 HG2 LYS 76 128.792 7.152 14.189 502 2HG LYS 76 HG1 LYS 76 128.290 6.406 15.707 503 1HD LYS 76 HD2 LYS 76 127.179 4.729 14.664 504 2HD LYS 76 HD1 LYS 76 126.638 5.764 13.348 505 1HE LYS 76 HE2 LYS 76 129.480 4.806 13.633 506 2HE LYS 76 HE1 LYS 76 128.254 3.927 12.721 507 1HZ LYS 76 HZ1 LYS 76 129.855 5.995 11.820 508 2HZ LYS 76 HZ2 LYS 76 128.299 6.643 11.930 509 3HZ LYS 76 HZ3 LYS 76 128.574 5.260 10.997 510 H GLY 77 HN GLY 77 124.268 9.381 16.707 511 1HA GLY 77 HA2 GLY 77 124.335 11.379 18.134 512 2HA GLY 77 HA1 GLY 77 125.914 11.722 17.444 513 H GLU 78 HN GLU 78 122.978 10.700 15.772 514 HA GLU 78 HA GLU 78 121.753 11.628 14.127 515 1HB GLU 78 HB2 GLU 78 121.698 13.432 16.050 516 2HB GLU 78 HB1 GLU 78 122.553 14.388 14.846 517 1HG GLU 78 HG2 GLU 78 120.654 13.675 13.253 518 2HG GLU 78 HG1 GLU 78 119.784 13.248 14.723 519 H GLU 79 HN GLU 79 123.992 10.666 13.152 520 HA GLU 79 HA GLU 79 125.205 12.797 11.531 521 1HB GLU 79 HB2 GLU 79 126.712 11.253 12.736 522 2HB GLU 79 HB1 GLU 79 126.007 9.905 11.865 523 1HG GLU 79 HG2 GLU 79 127.695 10.171 10.444 524 2HG GLU 79 HG1 GLU 79 126.780 11.545 9.829 Start of MODEL 3 1 H THR 13 H THR 13 107.432 -7.715 17.173 2 HA THR 13 HA THR 13 106.145 -8.156 19.072 3 HB THR 13 HB THR 13 104.982 -5.791 17.594 4 HG1 THR 13 HG1 THR 13 107.124 -5.554 17.324 5 1HG2 THR 13 HG21 THR 13 105.728 -6.022 20.494 6 2HG2 THR 13 HG22 THR 13 104.093 -6.257 19.876 7 3HG2 THR 13 HG23 THR 13 104.889 -4.692 19.696 8 H PHE 14 HN PHE 14 104.548 -8.834 16.211 9 HA PHE 14 HA PHE 14 102.602 -9.870 15.717 10 1HB PHE 14 HB2 PHE 14 103.037 -11.318 17.564 11 2HB PHE 14 HB1 PHE 14 102.485 -10.110 18.714 12 HD1 PHE 14 HD1 PHE 14 100.497 -10.638 19.709 13 HD2 PHE 14 HD2 PHE 14 101.090 -11.689 15.627 14 HE1 PHE 14 HE1 PHE 14 98.226 -11.585 19.625 15 HE2 PHE 14 HE2 PHE 14 98.821 -12.638 15.537 16 HZ PHE 14 HZ PHE 14 97.387 -12.585 17.538 17 H LEU 15 HN LEU 15 102.631 -7.027 17.627 18 HA LEU 15 HA LEU 15 99.767 -6.610 17.446 19 1HB LEU 15 HB2 LEU 15 101.857 -4.652 18.383 20 2HB LEU 15 HB1 LEU 15 100.133 -4.609 18.704 21 HG LEU 15 HG LEU 15 101.830 -6.882 19.692 22 1HD1 LEU 15 HD11 LEU 15 101.232 -4.430 21.317 23 2HD1 LEU 15 HD12 LEU 15 102.729 -4.608 20.400 24 3HD1 LEU 15 HD13 LEU 15 102.340 -5.754 21.682 25 1HD2 LEU 15 HD21 LEU 15 99.179 -6.656 19.646 26 2HD2 LEU 15 HD22 LEU 15 99.492 -5.776 21.142 27 3HD2 LEU 15 HD23 LEU 15 100.036 -7.444 20.970 28 H THR 16 HN THR 16 102.573 -5.935 15.602 29 HA THR 16 HA THR 16 101.845 -3.541 14.333 30 HB THR 16 HB THR 16 104.100 -4.472 14.191 31 HG1 THR 16 HG1 THR 16 103.239 -3.123 12.465 32 1HG2 THR 16 HG21 THR 16 104.112 -6.285 12.159 33 2HG2 THR 16 HG22 THR 16 102.716 -6.795 13.108 34 3HG2 THR 16 HG23 THR 16 104.301 -6.665 13.870 35 H GLN 17 HN GLN 17 100.739 -6.803 13.883 36 HA GLN 17 HA GLN 17 99.806 -6.708 11.270 37 1HB GLN 17 HB2 GLN 17 99.507 -8.424 13.529 38 2HB GLN 17 HB1 GLN 17 97.914 -8.157 12.833 39 1HG GLN 17 HG2 GLN 17 98.864 -8.802 10.616 40 2HG GLN 17 HG1 GLN 17 100.350 -9.251 11.452 41 1HE2 GLN 17 HE21 GLN 17 99.259 -11.184 10.064 42 2HE2 GLN 17 HE22 GLN 17 98.441 -12.329 11.066 43 H VAL 18 HN VAL 18 98.102 -5.806 14.260 44 HA VAL 18 HA VAL 18 95.659 -5.096 13.132 45 HB VAL 18 HB VAL 18 96.958 -3.759 15.507 46 1HG1 VAL 18 HG11 VAL 18 94.028 -4.209 14.986 47 2HG1 VAL 18 HG12 VAL 18 94.872 -2.738 14.501 48 3HG1 VAL 18 HG13 VAL 18 94.774 -3.178 16.207 49 1HG2 VAL 18 HG21 VAL 18 96.470 -6.460 15.220 50 2HG2 VAL 18 HG22 VAL 18 95.040 -5.874 16.067 51 3HG2 VAL 18 HG23 VAL 18 96.643 -5.592 16.745 52 H LYS 19 HN LYS 19 98.641 -3.254 13.451 53 HA LYS 19 HA LYS 19 97.641 -0.716 12.757 54 1HB LYS 19 HB2 LYS 19 100.353 -1.983 12.436 55 2HB LYS 19 HB1 LYS 19 100.036 -0.318 11.978 56 1HG LYS 19 HG2 LYS 19 99.455 -1.336 14.739 57 2HG LYS 19 HG1 LYS 19 101.046 -0.729 14.277 58 1HD LYS 19 HD2 LYS 19 98.862 1.045 13.496 59 2HD LYS 19 HD1 LYS 19 98.961 0.787 15.238 60 1HE LYS 19 HE2 LYS 19 101.047 1.741 15.399 61 2HE LYS 19 HE1 LYS 19 101.454 1.389 13.720 62 1HZ LYS 19 HZ1 LYS 19 100.701 3.799 14.649 63 2HZ LYS 19 HZ2 LYS 19 99.237 3.206 14.043 64 3HZ LYS 19 HZ3 LYS 19 100.588 3.315 13.031 65 H GLU 20 HN GLU 20 99.373 -3.079 10.745 66 HA GLU 20 HA GLU 20 98.929 -1.773 8.298 67 1HB GLU 20 HB2 GLU 20 99.570 -4.624 9.018 68 2HB GLU 20 HB1 GLU 20 99.320 -4.140 7.346 69 1HG GLU 20 HG2 GLU 20 101.149 -2.339 8.623 70 2HG GLU 20 HG1 GLU 20 101.682 -4.006 8.843 71 H SER 21 HN SER 21 96.861 -3.616 10.304 72 HA SER 21 HA SER 21 95.017 -4.404 8.237 73 1HB SER 21 HB2 SER 21 95.558 -5.156 10.862 74 2HB SER 21 HB1 SER 21 93.965 -4.409 10.943 75 HG SER 21 HG SER 21 93.542 -5.833 9.009 76 H LEU 22 HN LEU 22 94.806 -2.218 11.047 77 HA LEU 22 HA LEU 22 92.366 -1.038 10.328 78 1HB LEU 22 HB2 LEU 22 94.626 0.140 11.949 79 2HB LEU 22 HB1 LEU 22 92.987 0.758 11.896 80 HG LEU 22 HG LEU 22 93.776 -1.958 12.950 81 1HD1 LEU 22 HD11 LEU 22 93.502 -1.099 15.129 82 2HD1 LEU 22 HD12 LEU 22 92.824 0.415 14.530 83 3HD1 LEU 22 HD13 LEU 22 94.532 0.055 14.281 84 1HD2 LEU 22 HD21 LEU 22 91.141 -0.495 12.893 85 2HD2 LEU 22 HD22 LEU 22 91.455 -1.951 13.840 86 3HD2 LEU 22 HD23 LEU 22 91.541 -2.008 12.079 87 H SER 23 HN SER 23 95.659 -0.383 9.384 88 HA SER 23 HA SER 23 95.258 2.173 8.259 89 1HB SER 23 HB2 SER 23 97.294 0.050 7.535 90 2HB SER 23 HB1 SER 23 97.362 1.737 7.026 91 H SER 24 HN SER 24 94.756 -1.070 7.068 92 HA SER 24 HA SER 24 94.439 -0.422 4.331 93 1HB SER 24 HB2 SER 24 93.064 -2.712 5.715 94 2HB SER 24 HB1 SER 24 93.612 -2.613 4.043 95 HG SER 24 HG SER 24 95.094 -3.827 5.175 96 H TYR 25 HN TYR 25 92.272 -0.425 7.089 97 HA TYR 25 HA TYR 25 89.808 -0.300 5.836 98 1HB TYR 25 HB2 TYR 25 90.817 -0.112 8.397 99 2HB TYR 25 HB1 TYR 25 90.086 1.464 8.146 100 HD1 TYR 25 HD1 TYR 25 87.673 1.113 6.766 101 HD2 TYR 25 HD2 TYR 25 89.457 -1.552 9.561 102 HE1 TYR 25 HE1 TYR 25 85.462 0.154 7.254 103 HE2 TYR 25 HE2 TYR 25 87.252 -2.519 10.057 104 HH TYR 25 HH TYR 25 84.299 -1.228 8.589 105 H TRP 26 HN TRP 26 92.265 2.121 6.340 106 HA TRP 26 HA TRP 26 90.605 4.160 5.015 107 1HB TRP 26 HB2 TRP 26 92.880 4.289 6.957 108 2HB TRP 26 HB1 TRP 26 92.605 5.643 5.868 109 HD1 TRP 26 HD1 TRP 26 90.854 3.710 8.703 110 HE1 TRP 26 HE1 TRP 26 89.073 5.249 9.747 111 HE3 TRP 26 HE3 TRP 26 91.205 7.661 5.480 112 HZ2 TRP 26 HZ2 TRP 26 87.967 7.802 9.267 113 HZ3 TRP 26 HZ3 TRP 26 89.752 9.612 5.842 114 HH2 TRP 26 HH2 TRP 26 88.166 9.680 7.696 115 H GLU 27 HN GLU 27 93.255 2.058 4.529 116 HA GLU 27 HA GLU 27 94.917 3.520 2.843 117 1HB GLU 27 HB2 GLU 27 95.232 1.153 3.763 118 2HB GLU 27 HB1 GLU 27 94.274 0.612 2.390 119 1HG GLU 27 HG2 GLU 27 96.221 0.459 1.324 120 2HG GLU 27 HG1 GLU 27 96.133 2.217 1.197 121 H SER 28 HN SER 28 91.946 1.745 2.096 122 HA SER 28 HA SER 28 92.067 2.079 -0.701 123 1HB SER 28 HB2 SER 28 90.519 0.484 -0.142 124 2HB SER 28 HB1 SER 28 89.932 1.373 1.260 125 HG SER 28 HG SER 28 88.707 1.208 -0.960 126 H ALA 29 HN ALA 29 90.767 4.056 1.899 127 HA ALA 29 HA ALA 29 89.453 5.975 0.303 128 1HB ALA 29 HB1 ALA 29 90.779 6.505 2.959 129 2HB ALA 29 HB2 ALA 29 89.223 5.689 2.801 130 3HB ALA 29 HB3 ALA 29 89.408 7.353 2.247 131 H LYS 30 HN LYS 30 92.752 5.524 1.354 132 HA LYS 30 HA LYS 30 93.704 8.036 0.315 133 1HB LYS 30 HB2 LYS 30 94.819 5.754 1.789 134 2HB LYS 30 HB1 LYS 30 95.931 6.458 0.624 135 1HG LYS 30 HG2 LYS 30 94.641 8.538 2.115 136 2HG LYS 30 HG1 LYS 30 95.353 7.355 3.215 137 1HD LYS 30 HD2 LYS 30 97.070 8.084 0.954 138 2HD LYS 30 HD1 LYS 30 96.699 9.423 2.041 139 1HE LYS 30 HE2 LYS 30 98.630 8.501 2.954 140 2HE LYS 30 HE1 LYS 30 97.340 7.794 3.925 141 1HZ LYS 30 HZ1 LYS 30 99.238 6.324 2.924 142 2HZ LYS 30 HZ2 LYS 30 98.251 6.340 1.550 143 3HZ LYS 30 HZ3 LYS 30 97.651 5.744 3.014 144 H THR 31 HN THR 31 93.303 4.770 -0.822 145 HA THR 31 HA THR 31 95.067 4.891 -3.031 146 HB THR 31 HB THR 31 92.597 3.218 -2.568 147 HG1 THR 31 HG1 THR 31 94.239 2.857 -1.044 148 1HG2 THR 31 HG21 THR 31 92.945 2.085 -4.440 149 2HG2 THR 31 HG22 THR 31 94.697 2.102 -4.236 150 3HG2 THR 31 HG23 THR 31 93.876 3.490 -4.953 151 H ALA 32 HN ALA 32 91.566 5.425 -2.705 152 HA ALA 32 HA ALA 32 90.978 5.958 -5.375 153 1HB ALA 32 HB1 ALA 32 88.920 6.377 -4.605 154 2HB ALA 32 HB2 ALA 32 89.490 7.647 -3.522 155 3HB ALA 32 HB3 ALA 32 89.557 5.959 -3.015 156 H ALA 33 HN ALA 33 92.716 7.779 -3.053 157 HA ALA 33 HA ALA 33 92.426 10.329 -4.371 158 1HB ALA 33 HB1 ALA 33 94.423 9.525 -2.257 159 2HB ALA 33 HB2 ALA 33 92.792 10.108 -1.920 160 3HB ALA 33 HB3 ALA 33 93.960 11.162 -2.718 161 H GLN 34 HN GLN 34 94.686 7.651 -4.356 162 HA GLN 34 HA GLN 34 96.785 8.998 -5.733 163 1HB GLN 34 HB2 GLN 34 96.159 6.206 -4.955 164 2HB GLN 34 HB1 GLN 34 97.259 6.409 -6.311 165 1HG GLN 34 HG2 GLN 34 98.939 7.093 -5.005 166 2HG GLN 34 HG1 GLN 34 97.885 8.089 -4.001 167 1HE2 GLN 34 HE21 GLN 34 99.362 7.187 -2.330 168 2HE2 GLN 34 HE22 GLN 34 98.924 5.682 -1.603 169 H ASN 35 HN ASN 35 93.953 7.212 -6.700 170 HA ASN 35 HA ASN 35 94.548 6.717 -9.376 171 1HB ASN 35 HB2 ASN 35 92.472 6.244 -7.691 172 2HB ASN 35 HB1 ASN 35 91.778 7.484 -8.731 173 1HD2 ASN 35 HD21 ASN 35 90.558 5.167 -8.839 174 2HD2 ASN 35 HD22 ASN 35 90.944 4.288 -10.274 175 H LEU 36 HN LEU 36 93.195 9.543 -7.781 176 HA LEU 36 HA LEU 36 92.308 11.054 -9.866 177 1HB LEU 36 HB2 LEU 36 92.708 11.372 -7.210 178 2HB LEU 36 HB1 LEU 36 93.871 12.509 -7.858 179 HG LEU 36 HG LEU 36 91.207 12.704 -9.085 180 1HD1 LEU 36 HD11 LEU 36 91.599 13.186 -6.147 181 2HD1 LEU 36 HD12 LEU 36 90.338 12.251 -6.951 182 3HD1 LEU 36 HD13 LEU 36 90.353 14.009 -7.085 183 1HD2 LEU 36 HD21 LEU 36 92.062 15.125 -7.933 184 2HD2 LEU 36 HD22 LEU 36 92.131 14.645 -9.629 185 3HD2 LEU 36 HD23 LEU 36 93.505 14.333 -8.568 186 H TYR 37 HN TYR 37 95.663 10.507 -8.911 187 HA TYR 37 HA TYR 37 96.618 11.283 -11.466 188 1HB TYR 37 HB2 TYR 37 96.209 13.416 -9.607 189 2HB TYR 37 HB1 TYR 37 97.936 13.252 -9.906 190 HD1 TYR 37 HD1 TYR 37 98.436 12.801 -12.546 191 HD2 TYR 37 HD2 TYR 37 95.113 14.926 -10.952 192 HE1 TYR 37 HE1 TYR 37 98.184 13.996 -14.679 193 HE2 TYR 37 HE2 TYR 37 94.852 16.126 -13.082 194 HH TYR 37 HH TYR 37 97.124 16.365 -15.344 195 H GLU 38 HN GLU 38 97.173 10.150 -8.320 196 HA GLU 38 HA GLU 38 100.040 10.102 -8.456 197 1HB GLU 38 HB2 GLU 38 98.194 9.874 -6.431 198 2HB GLU 38 HB1 GLU 38 98.803 8.231 -6.584 199 1HG GLU 38 HG2 GLU 38 100.883 10.283 -6.601 200 2HG GLU 38 HG1 GLU 38 99.944 10.220 -5.110 201 H LYS 39 HN LYS 39 97.459 8.045 -9.498 202 HA LYS 39 HA LYS 39 98.747 5.567 -9.561 203 1HB LYS 39 HB2 LYS 39 97.152 5.061 -11.449 204 2HB LYS 39 HB1 LYS 39 96.405 5.633 -9.964 205 1HG LYS 39 HG2 LYS 39 95.477 7.344 -11.013 206 2HG LYS 39 HG1 LYS 39 97.029 7.847 -11.684 207 1HD LYS 39 HD2 LYS 39 96.472 5.682 -13.223 208 2HD LYS 39 HD1 LYS 39 94.849 6.297 -12.907 209 1HE LYS 39 HE2 LYS 39 95.406 8.436 -13.808 210 2HE LYS 39 HE1 LYS 39 97.114 8.011 -13.910 211 1HZ LYS 39 HZ1 LYS 39 96.186 7.833 -16.071 212 2HZ LYS 39 HZ2 LYS 39 94.889 6.897 -15.523 213 3HZ LYS 39 HZ3 LYS 39 96.454 6.255 -15.522 214 H THR 40 HN THR 40 99.309 8.394 -11.420 215 HA THR 40 HA THR 40 101.076 6.839 -13.195 216 HB THR 40 HB THR 40 99.193 9.092 -13.833 217 HG1 THR 40 HG1 THR 40 98.663 7.708 -15.526 218 1HG2 THR 40 HG21 THR 40 101.647 8.383 -15.411 219 2HG2 THR 40 HG22 THR 40 101.189 9.958 -14.767 220 3HG2 THR 40 HG23 THR 40 100.258 9.238 -16.081 221 H TYR 41 HN TYR 41 100.777 9.461 -10.989 222 HA TYR 41 HA TYR 41 102.825 11.145 -11.823 223 1HB TYR 41 HB2 TYR 41 101.084 11.132 -9.745 224 2HB TYR 41 HB1 TYR 41 102.589 10.765 -8.910 225 HD1 TYR 41 HD1 TYR 41 100.547 13.352 -10.235 226 HD2 TYR 41 HD2 TYR 41 104.590 12.328 -9.396 227 HE1 TYR 41 HE1 TYR 41 101.149 15.734 -10.260 228 HE2 TYR 41 HE2 TYR 41 105.203 14.706 -9.418 229 HH TYR 41 HH TYR 41 104.429 16.802 -10.233 230 H LEU 42 HN LEU 42 103.222 9.024 -9.000 231 HA LEU 42 HA LEU 42 105.709 7.983 -10.080 232 1HB LEU 42 HB2 LEU 42 105.544 9.916 -7.817 233 2HB LEU 42 HB1 LEU 42 106.731 8.631 -7.723 234 HG LEU 42 HG LEU 42 106.555 10.575 -10.026 235 1HD1 LEU 42 HD11 LEU 42 108.762 10.738 -8.068 236 2HD1 LEU 42 HD12 LEU 42 107.193 11.351 -7.547 237 3HD1 LEU 42 HD13 LEU 42 107.961 12.011 -8.990 238 1HD2 LEU 42 HD21 LEU 42 107.659 8.259 -10.263 239 2HD2 LEU 42 HD22 LEU 42 108.921 8.920 -9.224 240 3HD2 LEU 42 HD23 LEU 42 108.568 9.679 -10.775 241 HA PRO 43 HA PRO 43 103.532 5.150 -7.095 242 1HB PRO 43 HB2 PRO 43 102.065 3.628 -8.786 243 2HB PRO 43 HB1 PRO 43 101.471 5.133 -8.081 244 1HG PRO 43 HG2 PRO 43 102.266 4.559 -10.843 245 2HG PRO 43 HG1 PRO 43 101.279 5.878 -10.207 246 1HD PRO 43 HD2 PRO 43 104.059 5.927 -10.960 247 2HD PRO 43 HD1 PRO 43 103.040 7.265 -10.397 248 H ALA 44 HN ALA 44 103.893 3.631 -10.311 249 HA ALA 44 HA ALA 44 106.374 2.397 -9.753 250 1HB ALA 44 HB1 ALA 44 103.911 0.809 -9.120 251 2HB ALA 44 HB2 ALA 44 105.363 1.040 -8.146 252 3HB ALA 44 HB3 ALA 44 105.421 0.027 -9.589 253 H VAL 45 HN VAL 45 105.834 3.643 -11.970 254 HA VAL 45 HA VAL 45 104.947 1.676 -13.974 255 HB VAL 45 HB VAL 45 105.510 4.610 -14.416 256 1HG1 VAL 45 HG11 VAL 45 104.620 4.358 -16.520 257 2HG1 VAL 45 HG12 VAL 45 103.682 2.933 -16.072 258 3HG1 VAL 45 HG13 VAL 45 105.425 2.805 -16.309 259 1HG2 VAL 45 HG21 VAL 45 103.645 5.060 -13.290 260 2HG2 VAL 45 HG22 VAL 45 103.289 3.346 -13.077 261 3HG2 VAL 45 HG23 VAL 45 102.755 4.181 -14.534 262 H ASP 46 HN ASP 46 107.585 3.978 -13.329 263 HA ASP 46 HA ASP 46 109.201 3.004 -15.484 264 1HB ASP 46 HB2 ASP 46 109.254 5.347 -14.446 265 2HB ASP 46 HB1 ASP 46 110.187 4.623 -13.138 266 H GLU 47 HN GLU 47 108.590 1.927 -12.315 267 HA GLU 47 HA GLU 47 111.153 0.683 -11.888 268 1HB GLU 47 HB2 GLU 47 108.538 0.701 -10.442 269 2HB GLU 47 HB1 GLU 47 109.749 -0.507 -10.043 270 1HG GLU 47 HG2 GLU 47 109.855 1.428 -8.557 271 2HG GLU 47 HG1 GLU 47 111.342 1.222 -9.481 272 H LYS 48 HN LYS 48 107.853 -0.520 -12.501 273 HA LYS 48 HA LYS 48 108.413 -3.223 -12.664 274 1HB LYS 48 HB2 LYS 48 106.140 -2.168 -12.722 275 2HB LYS 48 HB1 LYS 48 106.433 -1.748 -14.404 276 1HG LYS 48 HG2 LYS 48 105.093 -3.735 -14.300 277 2HG LYS 48 HG1 LYS 48 106.692 -4.147 -14.923 278 1HD LYS 48 HD2 LYS 48 106.498 -4.343 -12.016 279 2HD LYS 48 HD1 LYS 48 105.391 -5.425 -12.865 280 1HE LYS 48 HE2 LYS 48 108.141 -5.321 -13.917 281 2HE LYS 48 HE1 LYS 48 107.964 -6.023 -12.310 282 1HZ LYS 48 HZ1 LYS 48 107.716 -7.462 -14.480 283 2HZ LYS 48 HZ2 LYS 48 106.117 -6.914 -14.395 284 3HZ LYS 48 HZ3 LYS 48 106.785 -7.777 -13.102 285 H LEU 49 HN LEU 49 108.649 -0.741 -15.153 286 HA LEU 49 HA LEU 49 109.536 -2.610 -17.157 287 1HB LEU 49 HB2 LEU 49 109.424 -0.851 -18.653 288 2HB LEU 49 HB1 LEU 49 108.189 -0.439 -17.477 289 HG LEU 49 HG LEU 49 110.083 0.982 -16.374 290 1HD1 LEU 49 HD11 LEU 49 112.028 0.676 -17.473 291 2HD1 LEU 49 HD12 LEU 49 111.367 1.911 -18.544 292 3HD1 LEU 49 HD13 LEU 49 111.232 0.207 -18.975 293 1HD2 LEU 49 HD21 LEU 49 108.302 2.221 -17.096 294 2HD2 LEU 49 HD22 LEU 49 108.372 1.573 -18.735 295 3HD2 LEU 49 HD23 LEU 49 109.538 2.788 -18.218 296 H ARG 50 HN ARG 50 111.006 -0.822 -14.638 297 HA ARG 50 HA ARG 50 113.647 -1.551 -15.693 298 1HB ARG 50 HB2 ARG 50 112.701 1.082 -15.652 299 2HB ARG 50 HB1 ARG 50 113.762 0.969 -14.256 300 1HG ARG 50 HG2 ARG 50 115.328 -0.210 -16.069 301 2HG ARG 50 HG1 ARG 50 114.390 0.838 -17.137 302 1HD ARG 50 HD2 ARG 50 114.956 2.614 -15.243 303 2HD ARG 50 HD1 ARG 50 116.331 1.537 -15.004 304 HE ARG 50 HE ARG 50 115.971 3.379 -17.128 305 1HH1 ARG 50 HH11 ARG 50 117.249 0.208 -16.427 306 2HH1 ARG 50 HH12 ARG 50 118.409 0.255 -17.712 307 1HH2 ARG 50 HH21 ARG 50 117.492 3.440 -18.820 308 2HH2 ARG 50 HH22 ARG 50 118.546 2.089 -19.073 309 H ASP 51 HN ASP 51 112.639 -3.182 -13.970 310 HA ASP 51 HA ASP 51 113.630 -2.377 -11.312 311 1HB ASP 51 HB2 ASP 51 111.201 -3.688 -12.138 312 2HB ASP 51 HB1 ASP 51 112.111 -4.743 -11.061 313 H LEU 52 HN LEU 52 113.304 -5.249 -13.400 314 HA LEU 52 HA LEU 52 114.951 -7.000 -12.093 315 1HB LEU 52 HB2 LEU 52 115.492 -7.896 -14.414 316 2HB LEU 52 HB1 LEU 52 113.803 -7.824 -13.954 317 HG LEU 52 HG LEU 52 114.104 -5.414 -15.187 318 1HD1 LEU 52 HD11 LEU 52 115.243 -6.343 -17.408 319 2HD1 LEU 52 HD12 LEU 52 116.183 -7.244 -16.218 320 3HD1 LEU 52 HD13 LEU 52 116.144 -5.482 -16.160 321 1HD2 LEU 52 HD21 LEU 52 112.573 -6.231 -16.629 322 2HD2 LEU 52 HD22 LEU 52 112.560 -7.587 -15.501 323 3HD2 LEU 52 HD23 LEU 52 113.517 -7.680 -16.980 324 H TYR 53 HN TYR 53 115.857 -4.297 -14.116 325 HA TYR 53 HA TYR 53 118.672 -4.952 -14.150 326 1HB TYR 53 HB2 TYR 53 117.133 -3.480 -15.791 327 2HB TYR 53 HB1 TYR 53 117.758 -2.194 -14.762 328 HD1 TYR 53 HD1 TYR 53 119.042 -5.219 -16.556 329 HD2 TYR 53 HD2 TYR 53 119.700 -1.159 -15.463 330 HE1 TYR 53 HE1 TYR 53 121.151 -5.227 -17.820 331 HE2 TYR 53 HE2 TYR 53 121.809 -1.155 -16.728 332 HH TYR 53 HH TYR 53 122.704 -3.755 -18.829 333 H SER 54 HN SER 54 116.769 -2.283 -12.739 334 HA SER 54 HA SER 54 118.981 -1.465 -11.080 335 1HB SER 54 HB2 SER 54 116.267 -0.428 -11.690 336 2HB SER 54 HB1 SER 54 116.957 0.021 -10.132 337 HG SER 54 HG SER 54 118.263 0.359 -12.630 338 H LYS 55 HN LYS 55 117.506 -4.131 -10.717 339 HA LYS 55 HA LYS 55 117.052 -3.833 -7.821 340 1HB LYS 55 HB2 LYS 55 114.976 -4.423 -8.995 341 2HB LYS 55 HB1 LYS 55 115.765 -5.832 -9.693 342 1HG LYS 55 HG2 LYS 55 116.216 -6.337 -7.111 343 2HG LYS 55 HG1 LYS 55 114.738 -5.386 -6.959 344 1HD LYS 55 HD2 LYS 55 113.837 -7.474 -7.214 345 2HD LYS 55 HD1 LYS 55 113.931 -6.977 -8.905 346 1HE LYS 55 HE2 LYS 55 116.368 -8.243 -7.885 347 2HE LYS 55 HE1 LYS 55 114.953 -9.295 -7.885 348 1HZ LYS 55 HZ1 LYS 55 116.543 -8.895 -10.002 349 2HZ LYS 55 HZ2 LYS 55 115.325 -7.761 -10.307 350 3HZ LYS 55 HZ3 LYS 55 114.928 -9.394 -10.108 351 H SER 56 HN SER 56 118.651 -5.540 -10.380 352 HA SER 56 HA SER 56 119.869 -7.367 -8.420 353 1HB SER 56 HB2 SER 56 120.350 -7.776 -11.317 354 2HB SER 56 HB1 SER 56 120.052 -8.957 -10.042 355 HG SER 56 HG SER 56 118.270 -8.893 -11.396 356 H THR 57 HN THR 57 120.487 -4.449 -9.738 357 HA THR 57 HA THR 57 123.393 -4.938 -9.781 358 HB THR 57 HB THR 57 121.867 -2.882 -11.393 359 HG1 THR 57 HG1 THR 57 123.175 -5.278 -12.150 360 1HG2 THR 57 HG21 THR 57 123.827 -2.120 -12.298 361 2HG2 THR 57 HG22 THR 57 124.720 -3.579 -11.868 362 3HG2 THR 57 HG23 THR 57 124.307 -2.400 -10.623 363 H ALA 58 HN ALA 58 120.761 -2.909 -8.700 364 HA ALA 58 HA ALA 58 122.686 -1.281 -7.169 365 1HB ALA 58 HB1 ALA 58 119.873 -0.392 -7.546 366 2HB ALA 58 HB2 ALA 58 120.986 -0.268 -8.908 367 3HB ALA 58 HB3 ALA 58 121.348 0.562 -7.394 368 H ALA 59 HN ALA 59 119.551 -2.938 -6.975 369 HA ALA 59 HA ALA 59 119.204 -2.455 -4.196 370 1HB ALA 59 HB1 ALA 59 117.308 -3.790 -4.316 371 2HB ALA 59 HB2 ALA 59 117.969 -4.783 -5.611 372 3HB ALA 59 HB3 ALA 59 117.441 -3.135 -5.947 373 H MET 60 HN MET 60 121.377 -4.452 -5.821 374 HA MET 60 HA MET 60 121.478 -6.419 -3.655 375 1HB MET 60 HB2 MET 60 123.033 -7.652 -5.067 376 2HB MET 60 HB1 MET 60 121.567 -7.268 -5.956 377 1HG MET 60 HG2 MET 60 122.716 -6.214 -7.520 378 2HG MET 60 HG1 MET 60 123.520 -5.202 -6.330 379 1HE MET 60 HE1 MET 60 126.619 -7.348 -5.349 380 2HE MET 60 HE2 MET 60 125.052 -7.672 -4.611 381 3HE MET 60 HE3 MET 60 125.557 -6.009 -4.914 382 H SER 61 HN SER 61 123.353 -3.848 -5.123 383 HA SER 61 HA SER 61 125.551 -4.256 -3.250 384 1HB SER 61 HB2 SER 61 125.273 -3.096 -5.876 385 2HB SER 61 HB1 SER 61 126.009 -1.928 -4.779 386 HG SER 61 HG SER 61 127.524 -3.590 -4.219 387 H THR 62 HN THR 62 122.987 -1.974 -3.992 388 HA THR 62 HA THR 62 123.833 -0.062 -2.010 389 HB THR 62 HB THR 62 121.138 -0.177 -3.356 390 HG1 THR 62 HG1 THR 62 122.023 0.391 -5.160 391 1HG2 THR 62 HG21 THR 62 121.561 1.504 -1.530 392 2HG2 THR 62 HG22 THR 62 121.055 2.156 -3.088 393 3HG2 THR 62 HG23 THR 62 122.750 2.237 -2.606 394 H TYR 63 HN TYR 63 122.247 -3.014 -1.856 395 HA TYR 63 HA TYR 63 120.253 -2.530 0.071 396 1HB TYR 63 HB2 TYR 63 121.217 -4.683 -1.395 397 2HB TYR 63 HB1 TYR 63 121.527 -5.122 0.278 398 HD1 TYR 63 HD1 TYR 63 118.722 -3.371 -1.469 399 HD2 TYR 63 HD2 TYR 63 119.914 -6.555 1.086 400 HE1 TYR 63 HE1 TYR 63 116.368 -4.031 -1.201 401 HE2 TYR 63 HE2 TYR 63 117.566 -7.226 1.360 402 HH TYR 63 HH TYR 63 115.026 -5.326 0.677 403 H THR 64 HN THR 64 123.695 -3.055 0.221 404 HA THR 64 HA THR 64 124.002 -3.695 2.918 405 HB THR 64 HB THR 64 126.271 -2.654 2.710 406 HG1 THR 64 HG1 THR 64 125.313 -1.949 0.136 407 1HG2 THR 64 HG21 THR 64 125.369 -4.504 0.528 408 2HG2 THR 64 HG22 THR 64 126.210 -4.901 2.026 409 3HG2 THR 64 HG23 THR 64 127.054 -4.028 0.746 410 H GLY 65 HN GLY 65 123.107 -0.785 1.364 411 1HA GLY 65 HA2 GLY 65 123.533 0.845 3.747 412 2HA GLY 65 HA1 GLY 65 122.985 1.419 2.176 413 H ILE 66 HN ILE 66 121.017 -0.865 2.064 414 HA ILE 66 HA ILE 66 118.897 0.514 3.492 415 HB ILE 66 HB ILE 66 118.545 -1.964 1.822 416 1HG1 ILE 66 HG12 ILE 66 119.801 -0.393 0.451 417 2HG1 ILE 66 HG11 ILE 66 118.133 -0.464 -0.109 418 1HG2 ILE 66 HG21 ILE 66 116.774 -0.638 3.351 419 2HG2 ILE 66 HG22 ILE 66 116.335 -1.512 1.885 420 3HG2 ILE 66 HG23 ILE 66 116.581 0.233 1.832 421 1HD1 ILE 66 HD11 ILE 66 119.627 1.751 1.144 422 2HD1 ILE 66 HD12 ILE 66 117.922 1.593 1.570 423 3HD1 ILE 66 HD13 ILE 66 118.396 1.777 -0.119 424 H PHE 67 HN PHE 67 121.055 -1.915 4.205 425 HA PHE 67 HA PHE 67 119.406 -3.762 5.570 426 1HB PHE 67 HB2 PHE 67 122.022 -3.643 4.823 427 2HB PHE 67 HB1 PHE 67 122.146 -3.391 6.561 428 HD1 PHE 67 HD1 PHE 67 121.518 -5.132 8.124 429 HD2 PHE 67 HD2 PHE 67 121.246 -5.752 3.922 430 HE1 PHE 67 HE1 PHE 67 121.298 -7.553 8.501 431 HE2 PHE 67 HE2 PHE 67 121.024 -8.174 4.291 432 HZ PHE 67 HZ PHE 67 121.051 -9.077 6.582 433 H THR 68 HN THR 68 121.295 -0.977 6.606 434 HA THR 68 HA THR 68 120.778 -1.150 9.354 435 HB THR 68 HB THR 68 121.084 1.546 8.164 436 HG1 THR 68 HG1 THR 68 123.183 1.141 7.511 437 1HG2 THR 68 HG21 THR 68 121.560 1.681 10.375 438 2HG2 THR 68 HG22 THR 68 123.169 1.313 9.756 439 3HG2 THR 68 HG23 THR 68 122.181 0.032 10.459 440 H ASP 69 HN ASP 69 118.794 -0.061 6.735 441 HA ASP 69 HA ASP 69 117.113 1.758 7.966 442 1HB ASP 69 HB2 ASP 69 116.733 -0.211 5.752 443 2HB ASP 69 HB1 ASP 69 115.328 0.640 6.383 444 H GLN 70 HN GLN 70 117.313 -1.669 8.402 445 HA GLN 70 HA GLN 70 114.782 -1.787 9.827 446 1HB GLN 70 HB2 GLN 70 116.847 -3.883 9.159 447 2HB GLN 70 HB1 GLN 70 115.406 -4.215 10.111 448 1HG GLN 70 HG2 GLN 70 114.617 -2.878 7.734 449 2HG GLN 70 HG1 GLN 70 115.704 -4.195 7.299 450 1HE2 GLN 70 HE21 GLN 70 114.111 -5.426 6.358 451 2HE2 GLN 70 HE22 GLN 70 112.869 -6.208 7.270 452 H VAL 71 HN VAL 71 117.603 -0.552 10.640 453 HA VAL 71 HA VAL 71 117.829 -1.805 13.282 454 HB VAL 71 HB VAL 71 119.616 0.184 11.878 455 1HG1 VAL 71 HG11 VAL 71 120.011 0.665 14.106 456 2HG1 VAL 71 HG12 VAL 71 121.202 -0.598 13.791 457 3HG1 VAL 71 HG13 VAL 71 119.699 -0.990 14.624 458 1HG2 VAL 71 HG21 VAL 71 119.444 -2.306 11.138 459 2HG2 VAL 71 HG22 VAL 71 120.379 -2.613 12.601 460 3HG2 VAL 71 HG23 VAL 71 121.032 -1.564 11.343 461 H LEU 72 HN LEU 72 117.415 1.433 11.814 462 HA LEU 72 HA LEU 72 116.903 2.583 14.412 463 1HB LEU 72 HB2 LEU 72 116.305 4.630 12.969 464 2HB LEU 72 HB1 LEU 72 117.979 4.117 13.043 465 HG LEU 72 HG LEU 72 116.398 2.998 10.807 466 1HD1 LEU 72 HD11 LEU 72 117.397 5.642 10.140 467 2HD1 LEU 72 HD12 LEU 72 116.085 5.696 11.314 468 3HD1 LEU 72 HD13 LEU 72 115.847 4.890 9.764 469 1HD2 LEU 72 HD21 LEU 72 118.656 4.021 9.764 470 2HD2 LEU 72 HD22 LEU 72 118.562 2.426 10.509 471 3HD2 LEU 72 HD23 LEU 72 119.165 3.797 11.438 472 H SER 73 HN SER 73 115.153 1.134 11.853 473 HA SER 73 HA SER 73 112.623 2.332 12.328 474 1HB SER 73 HB2 SER 73 113.409 1.041 10.254 475 2HB SER 73 HB1 SER 73 113.017 -0.413 11.172 476 HG SER 73 HG SER 73 111.269 1.690 10.423 477 H VAL 74 HN VAL 74 114.430 -0.124 13.911 478 HA VAL 74 HA VAL 74 112.072 -0.805 15.549 479 HB VAL 74 HB VAL 74 114.431 -2.602 15.017 480 1HG1 VAL 74 HG11 VAL 74 112.172 -2.697 16.835 481 2HG1 VAL 74 HG12 VAL 74 113.628 -3.692 16.792 482 3HG1 VAL 74 HG13 VAL 74 112.239 -4.118 15.792 483 1HG2 VAL 74 HG21 VAL 74 111.810 -2.320 13.608 484 2HG2 VAL 74 HG22 VAL 74 112.575 -3.904 13.726 485 3HG2 VAL 74 HG23 VAL 74 113.423 -2.573 12.939 486 H LEU 75 HN LEU 75 115.319 0.371 15.513 487 HA LEU 75 HA LEU 75 115.453 0.055 18.447 488 1HB LEU 75 HB2 LEU 75 117.811 0.578 16.669 489 2HB LEU 75 HB1 LEU 75 117.804 -0.001 18.324 490 HG LEU 75 HG LEU 75 116.831 -1.547 15.922 491 1HD1 LEU 75 HD11 LEU 75 119.437 -1.106 16.798 492 2HD1 LEU 75 HD12 LEU 75 118.887 -2.373 15.700 493 3HD1 LEU 75 HD13 LEU 75 119.013 -2.699 17.428 494 1HD2 LEU 75 HD21 LEU 75 115.750 -1.888 18.258 495 2HD2 LEU 75 HD22 LEU 75 117.272 -2.690 18.647 496 3HD2 LEU 75 HD23 LEU 75 116.270 -3.290 17.325 497 H LYS 76 HN LYS 76 115.233 2.483 15.986 498 HA LYS 76 HA LYS 76 116.193 4.490 17.922 499 1HB LYS 76 HB2 LYS 76 116.390 4.226 15.049 500 2HB LYS 76 HB1 LYS 76 115.743 5.790 15.504 501 1HG LYS 76 HG2 LYS 76 117.890 6.394 15.682 502 2HG LYS 76 HG1 LYS 76 117.834 5.551 17.231 503 1HD LYS 76 HD2 LYS 76 119.258 3.987 16.519 504 2HD LYS 76 HD1 LYS 76 118.329 3.719 15.044 505 1HE LYS 76 HE2 LYS 76 119.483 5.413 13.885 506 2HE LYS 76 HE1 LYS 76 120.152 6.085 15.371 507 1HZ LYS 76 HZ1 LYS 76 121.194 4.035 13.701 508 2HZ LYS 76 HZ2 LYS 76 121.023 3.473 15.288 509 3HZ LYS 76 HZ3 LYS 76 121.942 4.859 14.975 510 H GLY 77 HN GLY 77 113.377 3.225 16.507 511 1HA GLY 77 HA2 GLY 77 111.298 3.950 17.636 512 2HA GLY 77 HA1 GLY 77 111.849 5.600 17.377 513 H GLU 78 HN GLU 78 111.932 2.850 15.165 514 HA GLU 78 HA GLU 78 111.021 2.494 13.127 515 1HB GLU 78 HB2 GLU 78 108.949 3.115 14.583 516 2HB GLU 78 HB1 GLU 78 108.951 4.584 13.615 517 1HG GLU 78 HG2 GLU 78 108.667 3.341 11.597 518 2HG GLU 78 HG1 GLU 78 108.912 1.813 12.442 519 H GLU 79 HN GLU 79 113.184 3.912 12.886 520 HA GLU 79 HA GLU 79 114.262 5.272 11.412 521 1HB GLU 79 HB2 GLU 79 112.079 4.604 10.008 522 2HB GLU 79 HB1 GLU 79 111.782 6.328 10.173 523 1HG GLU 79 HG2 GLU 79 114.320 6.428 9.378 524 2HG GLU 79 HG1 GLU 79 113.859 4.894 8.641 Start of MODEL 4 1 H THR 13 H THR 13 90.402 -3.694 20.652 2 HA THR 13 HA THR 13 90.282 -1.576 19.870 3 HB THR 13 HB THR 13 88.993 -1.261 17.600 4 HG1 THR 13 HG1 THR 13 88.461 -3.492 17.412 5 1HG2 THR 13 HG21 THR 13 91.185 -1.877 16.340 6 2HG2 THR 13 HG22 THR 13 91.828 -2.094 17.969 7 3HG2 THR 13 HG23 THR 13 91.162 -0.535 17.483 8 H PHE 14 HN PHE 14 88.156 -0.236 19.109 9 HA PHE 14 HA PHE 14 85.717 -1.520 20.024 10 1HB PHE 14 HB2 PHE 14 87.229 -0.257 21.922 11 2HB PHE 14 HB1 PHE 14 86.166 1.047 21.400 12 HD1 PHE 14 HD1 PHE 14 84.142 1.278 22.455 13 HD2 PHE 14 HD2 PHE 14 85.991 -2.553 22.361 14 HE1 PHE 14 HE1 PHE 14 82.334 0.377 23.861 15 HE2 PHE 14 HE2 PHE 14 84.188 -3.462 23.768 16 HZ PHE 14 HZ PHE 14 82.357 -1.996 24.519 17 H LEU 15 HN LEU 15 87.009 1.775 19.459 18 HA LEU 15 HA LEU 15 84.624 2.333 17.836 19 1HB LEU 15 HB2 LEU 15 85.122 4.665 18.117 20 2HB LEU 15 HB1 LEU 15 85.115 3.876 19.681 21 HG LEU 15 HG LEU 15 87.777 4.041 18.456 22 1HD1 LEU 15 HD11 LEU 15 86.127 6.345 18.309 23 2HD1 LEU 15 HD12 LEU 15 87.840 6.186 17.922 24 3HD1 LEU 15 HD13 LEU 15 87.342 6.613 19.559 25 1HD2 LEU 15 HD21 LEU 15 86.532 3.979 21.054 26 2HD2 LEU 15 HD22 LEU 15 87.708 5.289 20.950 27 3HD2 LEU 15 HD23 LEU 15 88.199 3.633 20.598 28 H THR 16 HN THR 16 88.150 2.302 17.682 29 HA THR 16 HA THR 16 88.415 3.475 15.133 30 HB THR 16 HB THR 16 90.242 1.407 16.369 31 HG1 THR 16 HG1 THR 16 89.964 3.065 17.842 32 1HG2 THR 16 HG21 THR 16 91.505 3.593 14.985 33 2HG2 THR 16 HG22 THR 16 90.425 2.692 13.920 34 3HG2 THR 16 HG23 THR 16 91.715 1.854 14.782 35 H GLN 17 HN GLN 17 87.314 0.388 16.130 36 HA GLN 17 HA GLN 17 87.984 -1.157 13.883 37 1HB GLN 17 HB2 GLN 17 86.147 -2.650 14.629 38 2HB GLN 17 HB1 GLN 17 87.255 -2.217 15.923 39 1HG GLN 17 HG2 GLN 17 85.618 -0.444 16.598 40 2HG GLN 17 HG1 GLN 17 84.493 -1.140 15.435 41 1HE2 GLN 17 HE21 GLN 17 82.973 -1.973 16.724 42 2HE2 GLN 17 HE22 GLN 17 83.256 -3.164 17.946 43 H VAL 18 HN VAL 18 85.795 1.421 14.190 44 HA VAL 18 HA VAL 18 84.278 0.557 11.813 45 HB VAL 18 HB VAL 18 83.599 2.848 13.658 46 1HG1 VAL 18 HG11 VAL 18 82.511 1.830 11.177 47 2HG1 VAL 18 HG12 VAL 18 82.151 3.328 12.036 48 3HG1 VAL 18 HG13 VAL 18 81.302 1.842 12.460 49 1HG2 VAL 18 HG21 VAL 18 81.733 0.954 14.193 50 2HG2 VAL 18 HG22 VAL 18 83.171 1.240 15.173 51 3HG2 VAL 18 HG23 VAL 18 83.169 -0.043 13.963 52 H LYS 19 HN LYS 19 86.238 3.134 13.177 53 HA LYS 19 HA LYS 19 85.960 4.975 11.040 54 1HB LYS 19 HB2 LYS 19 88.035 4.601 13.189 55 2HB LYS 19 HB1 LYS 19 88.148 5.886 11.997 56 1HG LYS 19 HG2 LYS 19 85.532 5.875 13.174 57 2HG LYS 19 HG1 LYS 19 86.767 5.917 14.435 58 1HD LYS 19 HD2 LYS 19 87.836 7.761 12.928 59 2HD LYS 19 HD1 LYS 19 86.210 7.883 12.251 60 1HE LYS 19 HE2 LYS 19 85.460 8.033 14.726 61 2HE LYS 19 HE1 LYS 19 87.146 8.439 15.041 62 1HZ LYS 19 HZ1 LYS 19 85.604 10.366 14.666 63 2HZ LYS 19 HZ2 LYS 19 85.496 9.883 13.049 64 3HZ LYS 19 HZ3 LYS 19 86.990 10.348 13.694 65 H GLU 20 HN GLU 20 88.754 2.975 11.950 66 HA GLU 20 HA GLU 20 90.161 3.317 9.551 67 1HB GLU 20 HB2 GLU 20 90.303 1.479 11.864 68 2HB GLU 20 HB1 GLU 20 91.041 0.890 10.380 69 1HG GLU 20 HG2 GLU 20 92.399 2.942 10.274 70 2HG GLU 20 HG1 GLU 20 91.697 3.458 11.807 71 H SER 21 HN SER 21 87.405 1.426 10.310 72 HA SER 21 HA SER 21 87.722 -0.502 8.209 73 1HB SER 21 HB2 SER 21 86.136 -0.177 10.500 74 2HB SER 21 HB1 SER 21 85.014 -0.177 9.145 75 HG SER 21 HG SER 21 86.693 -2.202 10.073 76 H LEU 22 HN LEU 22 85.410 2.155 8.787 77 HA LEU 22 HA LEU 22 84.277 2.104 6.217 78 1HB LEU 22 HB2 LEU 22 84.471 4.355 8.221 79 2HB LEU 22 HB1 LEU 22 83.494 4.416 6.766 80 HG LEU 22 HG LEU 22 83.116 2.555 9.111 81 1HD1 LEU 22 HD11 LEU 22 80.801 3.793 8.906 82 2HD1 LEU 22 HD12 LEU 22 81.797 5.041 8.156 83 3HD1 LEU 22 HD13 LEU 22 82.145 4.504 9.800 84 1HD2 LEU 22 HD21 LEU 22 82.148 2.430 6.337 85 2HD2 LEU 22 HD22 LEU 22 80.912 2.234 7.580 86 3HD2 LEU 22 HD23 LEU 22 82.308 1.156 7.545 87 H SER 23 HN SER 23 87.117 3.655 7.518 88 HA SER 23 HA SER 23 87.581 5.439 5.366 89 1HB SER 23 HB2 SER 23 88.665 5.301 7.773 90 2HB SER 23 HB1 SER 23 89.854 4.298 6.945 91 H SER 24 HN SER 24 88.439 2.108 6.005 92 HA SER 24 HA SER 24 90.300 1.739 3.933 93 1HB SER 24 HB2 SER 24 88.405 -0.250 5.192 94 2HB SER 24 HB1 SER 24 89.766 -0.667 4.151 95 HG SER 24 HG SER 24 90.997 -0.518 5.835 96 H TYR 25 HN TYR 25 86.785 1.631 4.012 97 HA TYR 25 HA TYR 25 86.228 0.422 1.589 98 1HB TYR 25 HB2 TYR 25 84.839 1.688 3.591 99 2HB TYR 25 HB1 TYR 25 84.566 2.750 2.218 100 HD1 TYR 25 HD1 TYR 25 84.196 -0.736 3.411 101 HD2 TYR 25 HD2 TYR 25 83.062 2.139 0.487 102 HE1 TYR 25 HE1 TYR 25 82.456 -2.267 2.588 103 HE2 TYR 25 HE2 TYR 25 81.318 0.616 -0.343 104 HH TYR 25 HH TYR 25 80.395 -2.219 1.354 105 H TRP 26 HN TRP 26 87.274 3.662 2.354 106 HA TRP 26 HA TRP 26 87.213 4.435 -0.477 107 1HB TRP 26 HB2 TRP 26 86.295 5.867 1.546 108 2HB TRP 26 HB1 TRP 26 87.989 6.323 1.712 109 HD1 TRP 26 HD1 TRP 26 89.052 7.119 -0.906 110 HE1 TRP 26 HE1 TRP 26 87.976 8.854 -2.471 111 HE3 TRP 26 HE3 TRP 26 84.276 7.011 0.920 112 HZ2 TRP 26 HZ2 TRP 26 85.439 10.024 -2.879 113 HZ3 TRP 26 HZ3 TRP 26 82.587 8.469 -0.116 114 HH2 TRP 26 HH2 TRP 26 83.158 9.944 -1.974 115 H GLU 27 HN GLU 27 89.346 3.508 2.071 116 HA GLU 27 HA GLU 27 91.701 4.782 1.101 117 1HB GLU 27 HB2 GLU 27 91.002 3.290 3.351 118 2HB GLU 27 HB1 GLU 27 92.218 2.315 2.541 119 1HG GLU 27 HG2 GLU 27 92.709 5.223 2.968 120 2HG GLU 27 HG1 GLU 27 92.903 4.098 4.311 121 H SER 28 HN SER 28 90.169 1.671 0.487 122 HA SER 28 HA SER 28 92.327 0.498 -0.911 123 1HB SER 28 HB2 SER 28 90.658 -0.983 -0.183 124 2HB SER 28 HB1 SER 28 89.362 -0.023 -0.891 125 HG SER 28 HG SER 28 89.900 -0.747 -2.881 126 H ALA 29 HN ALA 29 89.665 2.580 -1.894 127 HA ALA 29 HA ALA 29 90.052 2.350 -4.684 128 1HB ALA 29 HB1 ALA 29 89.132 4.979 -3.853 129 2HB ALA 29 HB2 ALA 29 88.264 3.682 -3.031 130 3HB ALA 29 HB3 ALA 29 88.300 3.740 -4.793 131 H LYS 30 HN LYS 30 91.437 4.353 -2.174 132 HA LYS 30 HA LYS 30 93.016 5.942 -3.993 133 1HB LYS 30 HB2 LYS 30 93.327 5.654 -0.999 134 2HB LYS 30 HB1 LYS 30 93.966 6.943 -2.010 135 1HG LYS 30 HG2 LYS 30 91.037 6.394 -1.601 136 2HG LYS 30 HG1 LYS 30 91.968 7.593 -0.704 137 1HD LYS 30 HD2 LYS 30 91.986 7.651 -3.688 138 2HD LYS 30 HD1 LYS 30 90.589 8.287 -2.818 139 1HE LYS 30 HE2 LYS 30 93.456 9.164 -2.501 140 2HE LYS 30 HE1 LYS 30 92.168 10.065 -3.296 141 1HZ LYS 30 HZ1 LYS 30 91.705 10.966 -1.343 142 2HZ LYS 30 HZ2 LYS 30 92.843 9.993 -0.557 143 3HZ LYS 30 HZ3 LYS 30 91.254 9.447 -0.752 144 H THR 31 HN THR 31 93.314 2.949 -2.260 145 HA THR 31 HA THR 31 96.151 2.773 -2.262 146 HB THR 31 HB THR 31 93.959 0.709 -2.034 147 HG1 THR 31 HG1 THR 31 94.618 0.725 0.135 148 1HG2 THR 31 HG21 THR 31 96.544 0.096 -2.757 149 2HG2 THR 31 HG22 THR 31 95.374 -0.989 -2.009 150 3HG2 THR 31 HG23 THR 31 96.531 -0.114 -1.007 151 H ALA 32 HN ALA 32 93.652 1.269 -4.318 152 HA ALA 32 HA ALA 32 95.391 0.050 -6.138 153 1HB ALA 32 HB1 ALA 32 92.749 1.142 -7.022 154 2HB ALA 32 HB2 ALA 32 92.813 -0.173 -5.848 155 3HB ALA 32 HB3 ALA 32 93.528 -0.381 -7.447 156 H ALA 33 HN ALA 33 94.472 3.329 -5.710 157 HA ALA 33 HA ALA 33 95.369 4.167 -8.349 158 1HB ALA 33 HB1 ALA 33 94.153 5.574 -5.998 159 2HB ALA 33 HB2 ALA 33 93.540 5.425 -7.645 160 3HB ALA 33 HB3 ALA 33 94.910 6.483 -7.307 161 H GLN 34 HN GLN 34 96.601 3.804 -5.154 162 HA GLN 34 HA GLN 34 98.801 5.644 -5.498 163 1HB GLN 34 HB2 GLN 34 97.683 4.009 -3.333 164 2HB GLN 34 HB1 GLN 34 99.441 4.067 -3.333 165 1HG GLN 34 HG2 GLN 34 99.435 6.445 -3.169 166 2HG GLN 34 HG1 GLN 34 97.690 6.509 -3.419 167 1HE2 GLN 34 HE21 GLN 34 100.122 6.518 -1.156 168 2HE2 GLN 34 HE22 GLN 34 99.186 6.160 0.252 169 H ASN 35 HN ASN 35 98.283 2.144 -5.562 170 HA ASN 35 HA ASN 35 100.918 1.302 -5.686 171 1HB ASN 35 HB2 ASN 35 98.412 0.160 -5.757 172 2HB ASN 35 HB1 ASN 35 99.088 -0.265 -7.325 173 1HD2 ASN 35 HD21 ASN 35 99.077 -0.892 -3.991 174 2HD2 ASN 35 HD22 ASN 35 100.316 -2.096 -3.965 175 H LEU 36 HN LEU 36 98.690 1.835 -8.435 176 HA LEU 36 HA LEU 36 100.655 1.374 -10.401 177 1HB LEU 36 HB2 LEU 36 97.901 1.783 -10.215 178 2HB LEU 36 HB1 LEU 36 98.487 3.038 -11.283 179 HG LEU 36 HG LEU 36 99.019 0.091 -11.669 180 1HD1 LEU 36 HD11 LEU 36 96.723 0.319 -12.033 181 2HD1 LEU 36 HD12 LEU 36 97.436 0.461 -13.640 182 3HD1 LEU 36 HD13 LEU 36 96.908 1.907 -12.779 183 1HD2 LEU 36 HD21 LEU 36 100.723 1.100 -12.824 184 2HD2 LEU 36 HD22 LEU 36 99.791 2.562 -13.141 185 3HD2 LEU 36 HD23 LEU 36 99.463 1.091 -14.056 186 H TYR 37 HN TYR 37 99.812 4.196 -8.566 187 HA TYR 37 HA TYR 37 101.325 5.903 -10.419 188 1HB TYR 37 HB2 TYR 37 99.239 6.455 -8.355 189 2HB TYR 37 HB1 TYR 37 100.346 7.733 -8.837 190 HD1 TYR 37 HD1 TYR 37 100.396 8.470 -11.231 191 HD2 TYR 37 HD2 TYR 37 97.419 5.821 -9.745 192 HE1 TYR 37 HE1 TYR 37 98.985 8.967 -13.183 193 HE2 TYR 37 HE2 TYR 37 96.002 6.308 -11.691 194 HH TYR 37 HH TYR 37 96.440 8.887 -13.683 195 H GLU 38 HN GLU 38 101.928 4.162 -7.669 196 HA GLU 38 HA GLU 38 104.196 5.896 -7.038 197 1HB GLU 38 HB2 GLU 38 102.160 4.951 -5.035 198 2HB GLU 38 HB1 GLU 38 103.789 5.404 -4.562 199 1HG GLU 38 HG2 GLU 38 103.054 7.548 -6.052 200 2HG GLU 38 HG1 GLU 38 101.517 7.077 -5.332 201 H LYS 39 HN LYS 39 102.674 2.729 -6.594 202 HA LYS 39 HA LYS 39 105.103 1.533 -5.648 203 1HB LYS 39 HB2 LYS 39 102.485 0.345 -6.568 204 2HB LYS 39 HB1 LYS 39 103.841 -0.633 -6.028 205 1HG LYS 39 HG2 LYS 39 103.003 1.528 -4.209 206 2HG LYS 39 HG1 LYS 39 101.866 0.197 -4.417 207 1HD LYS 39 HD2 LYS 39 103.656 -1.393 -3.849 208 2HD LYS 39 HD1 LYS 39 104.757 -0.038 -3.590 209 1HE LYS 39 HE2 LYS 39 102.915 0.788 -1.947 210 2HE LYS 39 HE1 LYS 39 102.388 -0.894 -1.979 211 1HZ LYS 39 HZ1 LYS 39 104.000 -0.273 -0.174 212 2HZ LYS 39 HZ2 LYS 39 105.180 -0.111 -1.376 213 3HZ LYS 39 HZ3 LYS 39 104.439 -1.609 -1.115 214 H THR 40 HN THR 40 103.234 1.129 -8.666 215 HA THR 40 HA THR 40 105.447 -0.182 -9.953 216 HB THR 40 HB THR 40 102.829 0.787 -11.111 217 HG1 THR 40 HG1 THR 40 103.489 -1.818 -10.221 218 1HG2 THR 40 HG21 THR 40 104.392 -1.517 -12.165 219 2HG2 THR 40 HG22 THR 40 104.786 0.126 -12.666 220 3HG2 THR 40 HG23 THR 40 103.175 -0.521 -12.960 221 H TYR 41 HN TYR 41 104.394 3.034 -9.536 222 HA TYR 41 HA TYR 41 105.179 4.254 -11.905 223 1HB TYR 41 HB2 TYR 41 104.188 5.058 -9.446 224 2HB TYR 41 HB1 TYR 41 105.750 5.857 -9.549 225 HD1 TYR 41 HD1 TYR 41 105.399 8.079 -10.086 226 HD2 TYR 41 HD2 TYR 41 103.161 5.092 -12.131 227 HE1 TYR 41 HE1 TYR 41 104.402 9.813 -11.515 228 HE2 TYR 41 HE2 TYR 41 102.160 6.819 -13.567 229 HH TYR 41 HH TYR 41 103.070 9.359 -14.300 230 H LEU 42 HN LEU 42 107.084 3.413 -9.051 231 HA LEU 42 HA LEU 42 109.498 3.769 -10.645 232 1HB LEU 42 HB2 LEU 42 109.226 4.984 -7.899 233 2HB LEU 42 HB1 LEU 42 110.649 5.024 -8.915 234 HG LEU 42 HG LEU 42 108.112 6.213 -9.946 235 1HD1 LEU 42 HD11 LEU 42 109.917 7.432 -7.875 236 2HD1 LEU 42 HD12 LEU 42 108.169 7.212 -7.805 237 3HD1 LEU 42 HD13 LEU 42 108.866 8.387 -8.921 238 1HD2 LEU 42 HD21 LEU 42 110.601 7.645 -10.325 239 2HD2 LEU 42 HD22 LEU 42 109.452 7.042 -11.518 240 3HD2 LEU 42 HD23 LEU 42 110.708 5.977 -10.887 241 HA PRO 43 HA PRO 43 110.711 1.015 -6.897 242 1HB PRO 43 HB2 PRO 43 108.855 0.413 -5.024 243 2HB PRO 43 HB1 PRO 43 109.877 1.852 -4.928 244 1HG PRO 43 HG2 PRO 43 107.055 1.599 -5.898 245 2HG PRO 43 HG1 PRO 43 107.762 2.823 -4.827 246 1HD PRO 43 HD2 PRO 43 107.341 3.279 -7.451 247 2HD PRO 43 HD1 PRO 43 108.705 3.990 -6.572 248 H ALA 44 HN ALA 44 109.581 0.227 -9.308 249 HA ALA 44 HA ALA 44 109.191 -2.512 -8.912 250 1HB ALA 44 HB1 ALA 44 106.860 -1.139 -8.388 251 2HB ALA 44 HB2 ALA 44 106.998 -2.856 -8.759 252 3HB ALA 44 HB3 ALA 44 106.646 -1.702 -10.045 253 H VAL 45 HN VAL 45 110.511 -0.450 -10.609 254 HA VAL 45 HA VAL 45 110.044 -1.752 -13.187 255 HB VAL 45 HB VAL 45 110.221 1.250 -12.860 256 1HG1 VAL 45 HG11 VAL 45 109.318 0.291 -15.431 257 2HG1 VAL 45 HG12 VAL 45 110.910 -0.354 -15.033 258 3HG1 VAL 45 HG13 VAL 45 110.642 1.389 -15.043 259 1HG2 VAL 45 HG21 VAL 45 107.842 -0.281 -13.875 260 2HG2 VAL 45 HG22 VAL 45 107.936 1.413 -13.394 261 3HG2 VAL 45 HG23 VAL 45 108.035 0.144 -12.174 262 H ASP 46 HN ASP 46 111.946 0.772 -11.545 263 HA ASP 46 HA ASP 46 114.279 0.457 -13.081 264 1HB ASP 46 HB2 ASP 46 113.434 2.011 -10.834 265 2HB ASP 46 HB1 ASP 46 114.993 1.289 -10.449 266 H GLU 47 HN GLU 47 113.207 -1.037 -10.064 267 HA GLU 47 HA GLU 47 115.559 -2.392 -9.404 268 1HB GLU 47 HB2 GLU 47 112.725 -3.312 -8.937 269 2HB GLU 47 HB1 GLU 47 114.152 -3.877 -8.082 270 1HG GLU 47 HG2 GLU 47 114.051 -1.045 -7.879 271 2HG GLU 47 HG1 GLU 47 112.467 -1.693 -7.459 272 H LYS 48 HN LYS 48 112.716 -3.634 -11.170 273 HA LYS 48 HA LYS 48 113.724 -6.142 -11.794 274 1HB LYS 48 HB2 LYS 48 111.464 -4.611 -12.492 275 2HB LYS 48 HB1 LYS 48 112.195 -5.109 -14.010 276 1HG LYS 48 HG2 LYS 48 111.900 -7.365 -13.562 277 2HG LYS 48 HG1 LYS 48 111.715 -7.096 -11.828 278 1HD LYS 48 HD2 LYS 48 109.522 -7.352 -12.299 279 2HD LYS 48 HD1 LYS 48 109.639 -5.651 -12.757 280 1HE LYS 48 HE2 LYS 48 109.820 -6.183 -15.053 281 2HE LYS 48 HE1 LYS 48 110.107 -7.889 -14.709 282 1HZ LYS 48 HZ1 LYS 48 107.889 -7.736 -15.409 283 2HZ LYS 48 HZ2 LYS 48 107.574 -6.379 -14.451 284 3HZ LYS 48 HZ3 LYS 48 107.798 -7.891 -13.726 285 H LEU 49 HN LEU 49 114.393 -3.033 -13.199 286 HA LEU 49 HA LEU 49 115.859 -4.169 -15.437 287 1HB LEU 49 HB2 LEU 49 115.004 -1.446 -14.599 288 2HB LEU 49 HB1 LEU 49 116.425 -1.571 -15.620 289 HG LEU 49 HG LEU 49 113.665 -2.599 -16.281 290 1HD1 LEU 49 HD11 LEU 49 113.975 -0.136 -16.378 291 2HD1 LEU 49 HD12 LEU 49 113.605 -0.873 -17.937 292 3HD1 LEU 49 HD13 LEU 49 115.258 -0.388 -17.561 293 1HD2 LEU 49 HD21 LEU 49 116.321 -3.095 -17.464 294 2HD2 LEU 49 HD22 LEU 49 115.025 -2.708 -18.596 295 3HD2 LEU 49 HD23 LEU 49 114.856 -4.077 -17.499 296 H ARG 50 HN ARG 50 116.433 -3.073 -12.225 297 HA ARG 50 HA ARG 50 119.340 -3.026 -12.720 298 1HB ARG 50 HB2 ARG 50 117.724 -1.187 -11.380 299 2HB ARG 50 HB1 ARG 50 118.528 -2.078 -10.096 300 1HG ARG 50 HG2 ARG 50 119.909 -0.244 -10.549 301 2HG ARG 50 HG1 ARG 50 120.693 -1.617 -11.331 302 1HD ARG 50 HD2 ARG 50 119.827 -0.950 -13.478 303 2HD ARG 50 HD1 ARG 50 118.877 0.338 -12.736 304 HE ARG 50 HE ARG 50 121.600 0.687 -12.107 305 1HH1 ARG 50 HH11 ARG 50 119.396 0.944 -14.800 306 2HH1 ARG 50 HH12 ARG 50 120.324 2.163 -15.605 307 1HH2 ARG 50 HH21 ARG 50 122.821 2.293 -13.161 308 2HH2 ARG 50 HH22 ARG 50 122.269 2.932 -14.674 309 H ASP 51 HN ASP 51 117.428 -5.338 -12.228 310 HA ASP 51 HA ASP 51 118.059 -6.376 -9.649 311 1HB ASP 51 HB2 ASP 51 116.990 -8.407 -10.410 312 2HB ASP 51 HB1 ASP 51 116.055 -7.029 -10.948 313 H LEU 52 HN LEU 52 119.001 -7.366 -12.889 314 HA LEU 52 HA LEU 52 120.899 -9.262 -12.339 315 1HB LEU 52 HB2 LEU 52 122.033 -8.479 -14.466 316 2HB LEU 52 HB1 LEU 52 120.341 -8.918 -14.597 317 HG LEU 52 HG LEU 52 120.544 -6.111 -14.036 318 1HD1 LEU 52 HD11 LEU 52 122.742 -6.147 -14.991 319 2HD1 LEU 52 HD12 LEU 52 121.633 -5.430 -16.159 320 3HD1 LEU 52 HD13 LEU 52 122.179 -7.094 -16.366 321 1HD2 LEU 52 HD21 LEU 52 119.182 -5.910 -15.989 322 2HD2 LEU 52 HD22 LEU 52 118.666 -7.351 -15.112 323 3HD2 LEU 52 HD23 LEU 52 119.666 -7.508 -16.556 324 H TYR 53 HN TYR 53 121.219 -5.780 -12.235 325 HA TYR 53 HA TYR 53 124.036 -5.702 -11.812 326 1HB TYR 53 HB2 TYR 53 122.217 -3.840 -12.475 327 2HB TYR 53 HB1 TYR 53 122.310 -3.528 -10.744 328 HD1 TYR 53 HD1 TYR 53 123.743 -2.831 -13.892 329 HD2 TYR 53 HD2 TYR 53 124.725 -3.255 -9.774 330 HE1 TYR 53 HE1 TYR 53 125.797 -1.531 -14.255 331 HE2 TYR 53 HE2 TYR 53 126.781 -1.953 -10.124 332 HH TYR 53 HH TYR 53 128.185 -1.102 -11.700 333 H SER 54 HN SER 54 121.266 -5.194 -9.640 334 HA SER 54 HA SER 54 122.936 -5.340 -7.284 335 1HB SER 54 HB2 SER 54 121.062 -4.612 -6.093 336 2HB SER 54 HB1 SER 54 120.816 -3.877 -7.676 337 HG SER 54 HG SER 54 119.462 -5.701 -8.168 338 H LYS 55 HN LYS 55 122.364 -7.715 -9.139 339 HA LYS 55 HA LYS 55 121.714 -9.556 -6.950 340 1HB LYS 55 HB2 LYS 55 120.813 -9.602 -9.812 341 2HB LYS 55 HB1 LYS 55 120.983 -11.112 -8.930 342 1HG LYS 55 HG2 LYS 55 119.456 -8.982 -7.578 343 2HG LYS 55 HG1 LYS 55 118.713 -9.700 -9.011 344 1HD LYS 55 HD2 LYS 55 118.797 -11.879 -8.063 345 2HD LYS 55 HD1 LYS 55 119.825 -11.333 -6.737 346 1HE LYS 55 HE2 LYS 55 117.299 -9.877 -6.945 347 2HE LYS 55 HE1 LYS 55 117.097 -11.601 -6.644 348 1HZ LYS 55 HZ1 LYS 55 117.760 -11.351 -4.554 349 2HZ LYS 55 HZ2 LYS 55 117.664 -9.678 -4.781 350 3HZ LYS 55 HZ3 LYS 55 119.138 -10.476 -5.000 351 H SER 56 HN SER 56 123.873 -8.631 -9.435 352 HA SER 56 HA SER 56 125.296 -10.831 -10.151 353 1HB SER 56 HB2 SER 56 125.974 -7.994 -9.594 354 2HB SER 56 HB1 SER 56 127.337 -9.117 -9.653 355 HG SER 56 HG SER 56 127.160 -9.053 -11.737 356 H THR 57 HN THR 57 125.274 -9.176 -7.091 357 HA THR 57 HA THR 57 125.988 -11.422 -5.574 358 HB THR 57 HB THR 57 128.223 -11.116 -6.438 359 HG1 THR 57 HG1 THR 57 128.062 -10.039 -3.820 360 1HG2 THR 57 HG21 THR 57 129.213 -8.766 -5.436 361 2HG2 THR 57 HG22 THR 57 127.651 -8.289 -6.102 362 3HG2 THR 57 HG23 THR 57 128.838 -9.097 -7.126 363 H ALA 58 HN ALA 58 124.149 -9.058 -5.755 364 HA ALA 58 HA ALA 58 122.932 -7.910 -4.188 365 1HB ALA 58 HB1 ALA 58 124.812 -7.893 -1.968 366 2HB ALA 58 HB2 ALA 58 124.457 -9.528 -2.527 367 3HB ALA 58 HB3 ALA 58 123.144 -8.462 -2.030 368 H ALA 59 HN ALA 59 124.639 -6.877 -6.079 369 HA ALA 59 HA ALA 59 126.501 -4.988 -5.224 370 1HB ALA 59 HB1 ALA 59 124.709 -4.609 -7.609 371 2HB ALA 59 HB2 ALA 59 126.055 -5.748 -7.586 372 3HB ALA 59 HB3 ALA 59 126.356 -4.023 -7.378 373 H MET 60 HN MET 60 123.010 -4.712 -5.561 374 HA MET 60 HA MET 60 123.104 -2.279 -3.921 375 1HB MET 60 HB2 MET 60 121.575 -2.554 -6.508 376 2HB MET 60 HB1 MET 60 121.350 -1.243 -5.359 377 1HG MET 60 HG2 MET 60 123.651 -0.546 -5.677 378 2HG MET 60 HG1 MET 60 123.915 -1.888 -6.789 379 1HE MET 60 HE1 MET 60 122.242 -0.926 -10.007 380 2HE MET 60 HE2 MET 60 121.439 -1.949 -8.814 381 3HE MET 60 HE3 MET 60 123.179 -2.085 -9.063 382 H SER 61 HN SER 61 121.916 -5.321 -4.251 383 HA SER 61 HA SER 61 119.207 -4.888 -3.414 384 1HB SER 61 HB2 SER 61 120.962 -7.267 -3.847 385 2HB SER 61 HB1 SER 61 119.529 -7.463 -2.840 386 HG SER 61 HG SER 61 119.449 -6.298 -5.420 387 H THR 62 HN THR 62 122.290 -5.450 -1.885 388 HA THR 62 HA THR 62 121.120 -5.844 0.736 389 HB THR 62 HB THR 62 124.009 -5.567 -0.118 390 HG1 THR 62 HG1 THR 62 122.326 -7.792 0.308 391 1HG2 THR 62 HG21 THR 62 123.843 -7.070 2.221 392 2HG2 THR 62 HG22 THR 62 122.841 -5.646 2.501 393 3HG2 THR 62 HG23 THR 62 124.529 -5.458 2.026 394 H TYR 63 HN TYR 63 122.101 -3.215 -1.213 395 HA TYR 63 HA TYR 63 122.946 -1.408 0.796 396 1HB TYR 63 HB2 TYR 63 122.699 -1.466 -1.996 397 2HB TYR 63 HB1 TYR 63 121.693 -0.133 -1.452 398 HD1 TYR 63 HD1 TYR 63 122.858 1.450 0.336 399 HD2 TYR 63 HD2 TYR 63 124.937 -1.046 -2.411 400 HE1 TYR 63 HE1 TYR 63 124.856 2.866 0.572 401 HE2 TYR 63 HE2 TYR 63 126.940 0.362 -2.183 402 HH TYR 63 HH TYR 63 127.858 2.129 -1.188 403 H THR 64 HN THR 64 119.863 -2.385 -0.504 404 HA THR 64 HA THR 64 118.233 -0.287 0.298 405 HB THR 64 HB THR 64 116.407 -1.970 0.402 406 HG1 THR 64 HG1 THR 64 118.475 -3.848 -0.074 407 1HG2 THR 64 HG21 THR 64 116.458 -2.712 -1.860 408 2HG2 THR 64 HG22 THR 64 118.208 -2.516 -1.940 409 3HG2 THR 64 HG23 THR 64 117.168 -1.099 -1.794 410 H GLY 65 HN GLY 65 119.880 -2.671 2.125 411 1HA GLY 65 HA2 GLY 65 118.336 -2.288 4.540 412 2HA GLY 65 HA1 GLY 65 119.799 -3.250 4.374 413 H ILE 66 HN ILE 66 121.172 -0.923 3.046 414 HA ILE 66 HA ILE 66 121.933 0.425 5.528 415 HB ILE 66 HB ILE 66 123.285 0.417 2.829 416 1HG1 ILE 66 HG12 ILE 66 125.055 -0.796 4.354 417 2HG1 ILE 66 HG11 ILE 66 123.650 -1.152 5.353 418 1HG2 ILE 66 HG21 ILE 66 124.132 1.647 5.448 419 2HG2 ILE 66 HG22 ILE 66 123.760 2.492 3.945 420 3HG2 ILE 66 HG23 ILE 66 125.186 1.458 4.047 421 1HD1 ILE 66 HD11 ILE 66 122.590 -2.298 3.521 422 2HD1 ILE 66 HD12 ILE 66 124.202 -2.959 3.790 423 3HD1 ILE 66 HD13 ILE 66 123.914 -1.858 2.443 424 H PHE 67 HN PHE 67 120.092 0.937 2.742 425 HA PHE 67 HA PHE 67 120.429 3.718 2.389 426 1HB PHE 67 HB2 PHE 67 119.145 1.666 1.085 427 2HB PHE 67 HB1 PHE 67 117.805 2.624 1.702 428 HD1 PHE 67 HD1 PHE 67 117.756 5.100 1.152 429 HD2 PHE 67 HD2 PHE 67 120.321 2.332 -0.813 430 HE1 PHE 67 HE1 PHE 67 118.035 6.686 -0.708 431 HE2 PHE 67 HE2 PHE 67 120.607 3.912 -2.676 432 HZ PHE 67 HZ PHE 67 119.463 6.094 -2.625 433 H THR 68 HN THR 68 117.996 1.784 4.069 434 HA THR 68 HA THR 68 116.673 4.099 5.162 435 HB THR 68 HB THR 68 116.029 1.571 6.452 436 HG1 THR 68 HG1 THR 68 115.709 1.675 3.640 437 1HG2 THR 68 HG21 THR 68 114.454 3.370 6.468 438 2HG2 THR 68 HG22 THR 68 113.786 2.035 5.528 439 3HG2 THR 68 HG23 THR 68 114.456 3.443 4.705 440 H ASP 69 HN ASP 69 119.183 1.914 6.136 441 HA ASP 69 HA ASP 69 119.063 2.099 8.901 442 1HB ASP 69 HB2 ASP 69 121.025 1.320 6.912 443 2HB ASP 69 HB1 ASP 69 121.788 2.082 8.303 444 H GLN 70 HN GLN 70 119.935 4.514 6.601 445 HA GLN 70 HA GLN 70 121.128 6.190 8.692 446 1HB GLN 70 HB2 GLN 70 121.846 7.651 6.847 447 2HB GLN 70 HB1 GLN 70 122.421 6.002 6.638 448 1HG GLN 70 HG2 GLN 70 120.769 5.558 4.977 449 2HG GLN 70 HG1 GLN 70 119.968 7.097 5.290 450 1HE2 GLN 70 HE21 GLN 70 123.075 5.741 4.275 451 2HE2 GLN 70 HE22 GLN 70 123.466 7.009 3.169 452 H VAL 71 HN VAL 71 118.133 5.552 7.761 453 HA VAL 71 HA VAL 71 117.208 8.348 7.715 454 HB VAL 71 HB VAL 71 115.772 5.800 6.970 455 1HG1 VAL 71 HG11 VAL 71 114.298 7.573 7.950 456 2HG1 VAL 71 HG12 VAL 71 113.914 7.144 6.283 457 3HG1 VAL 71 HG13 VAL 71 114.793 8.632 6.629 458 1HG2 VAL 71 HG21 VAL 71 115.877 7.562 4.798 459 2HG2 VAL 71 HG22 VAL 71 116.765 6.051 4.998 460 3HG2 VAL 71 HG23 VAL 71 117.494 7.575 5.502 461 H LEU 72 HN LEU 72 116.623 5.209 9.286 462 HA LEU 72 HA LEU 72 114.884 6.466 11.229 463 1HB LEU 72 HB2 LEU 72 115.045 4.060 12.248 464 2HB LEU 72 HB1 LEU 72 114.059 4.369 10.835 465 HG LEU 72 HG LEU 72 116.802 3.578 10.176 466 1HD1 LEU 72 HD11 LEU 72 115.120 1.895 11.964 467 2HD1 LEU 72 HD12 LEU 72 116.871 2.093 11.910 468 3HD1 LEU 72 HD13 LEU 72 116.057 1.115 10.688 469 1HD2 LEU 72 HD21 LEU 72 114.012 2.925 9.323 470 2HD2 LEU 72 HD22 LEU 72 115.346 1.875 8.844 471 3HD2 LEU 72 HD23 LEU 72 115.351 3.577 8.379 472 H SER 73 HN SER 73 118.171 5.512 10.847 473 HA SER 73 HA SER 73 118.893 5.442 13.600 474 1HB SER 73 HB2 SER 73 120.253 4.339 11.899 475 2HB SER 73 HB1 SER 73 120.600 5.898 11.151 476 HG SER 73 HG SER 73 121.415 4.954 13.692 477 H VAL 74 HN VAL 74 118.197 7.957 11.409 478 HA VAL 74 HA VAL 74 119.385 9.933 13.251 479 HB VAL 74 HB VAL 74 118.960 10.311 10.291 480 1HG1 VAL 74 HG11 VAL 74 120.413 11.951 12.367 481 2HG1 VAL 74 HG12 VAL 74 118.931 12.387 11.515 482 3HG1 VAL 74 HG13 VAL 74 120.452 12.262 10.631 483 1HG2 VAL 74 HG21 VAL 74 121.203 9.824 9.881 484 2HG2 VAL 74 HG22 VAL 74 120.713 8.566 11.015 485 3HG2 VAL 74 HG23 VAL 74 121.643 9.951 11.584 486 H LEU 75 HN LEU 75 116.542 8.842 11.612 487 HA LEU 75 HA LEU 75 115.157 11.329 12.410 488 1HB LEU 75 HB2 LEU 75 114.145 9.433 10.318 489 2HB LEU 75 HB1 LEU 75 113.678 11.100 10.603 490 HG LEU 75 HG LEU 75 116.422 10.297 9.649 491 1HD1 LEU 75 HD11 LEU 75 114.801 11.605 7.665 492 2HD1 LEU 75 HD12 LEU 75 114.034 10.110 8.202 493 3HD1 LEU 75 HD13 LEU 75 115.681 10.081 7.569 494 1HD2 LEU 75 HD21 LEU 75 116.740 12.415 10.387 495 2HD2 LEU 75 HD22 LEU 75 115.037 12.844 10.238 496 3HD2 LEU 75 HD23 LEU 75 116.065 12.806 8.805 497 H LYS 76 HN LYS 76 115.261 7.931 12.985 498 HA LYS 76 HA LYS 76 112.544 8.000 14.108 499 1HB LYS 76 HB2 LYS 76 114.242 5.930 12.926 500 2HB LYS 76 HB1 LYS 76 113.408 5.417 14.378 501 1HG LYS 76 HG2 LYS 76 111.322 6.461 13.181 502 2HG LYS 76 HG1 LYS 76 112.297 6.204 11.733 503 1HD LYS 76 HD2 LYS 76 112.575 3.827 13.078 504 2HD LYS 76 HD1 LYS 76 110.905 4.276 13.429 505 1HE LYS 76 HE2 LYS 76 112.088 4.222 10.657 506 2HE LYS 76 HE1 LYS 76 111.211 2.873 11.377 507 1HZ LYS 76 HZ1 LYS 76 110.145 5.581 10.791 508 2HZ LYS 76 HZ2 LYS 76 109.298 4.397 11.653 509 3HZ LYS 76 HZ3 LYS 76 109.715 4.130 10.035 510 H GLY 77 HN GLY 77 115.831 8.082 14.994 511 1HA GLY 77 HA2 GLY 77 116.232 8.752 17.339 512 2HA GLY 77 HA1 GLY 77 115.108 7.475 17.794 513 H GLU 78 HN GLU 78 117.658 7.402 15.364 514 HA GLU 78 HA GLU 78 119.513 6.138 15.119 515 1HB GLU 78 HB2 GLU 78 119.916 7.156 17.421 516 2HB GLU 78 HB1 GLU 78 119.447 5.590 18.066 517 1HG GLU 78 HG2 GLU 78 121.510 4.848 17.767 518 2HG GLU 78 HG1 GLU 78 121.363 5.131 16.033 519 H GLU 79 HN GLU 79 117.455 4.805 14.239 520 HA GLU 79 HA GLU 79 116.687 2.709 13.780 521 1HB GLU 79 HB2 GLU 79 119.231 2.262 14.009 522 2HB GLU 79 HB1 GLU 79 118.810 1.541 15.556 523 1HG GLU 79 HG2 GLU 79 117.384 -0.068 14.467 524 2HG GLU 79 HG1 GLU 79 117.664 0.698 12.905 Start of MODEL 5 1 H THR 13 H THR 13 97.871 19.695 12.858 2 HA THR 13 HA THR 13 95.750 19.445 13.570 3 HB THR 13 HB THR 13 94.810 17.726 11.742 4 HG1 THR 13 HG1 THR 13 96.354 17.648 10.027 5 1HG2 THR 13 HG21 THR 13 94.595 20.193 11.665 6 2HG2 THR 13 HG22 THR 13 94.855 19.448 10.087 7 3HG2 THR 13 HG23 THR 13 96.186 20.266 10.907 8 H PHE 14 HN PHE 14 93.866 17.616 13.525 9 HA PHE 14 HA PHE 14 94.769 15.233 14.970 10 1HB PHE 14 HB2 PHE 14 93.781 17.474 16.329 11 2HB PHE 14 HB1 PHE 14 92.418 16.362 16.260 12 HD1 PHE 14 HD1 PHE 14 95.126 17.327 18.169 13 HD2 PHE 14 HD2 PHE 14 93.157 13.821 16.774 14 HE1 PHE 14 HE1 PHE 14 96.096 16.046 20.033 15 HE2 PHE 14 HE2 PHE 14 94.121 12.535 18.638 16 HZ PHE 14 HZ PHE 14 95.592 13.647 20.269 17 H LEU 15 HN LEU 15 92.018 17.034 13.628 18 HA LEU 15 HA LEU 15 90.164 14.962 13.505 19 1HB LEU 15 HB2 LEU 15 89.203 16.282 11.562 20 2HB LEU 15 HB1 LEU 15 89.364 17.124 13.091 21 HG LEU 15 HG LEU 15 91.756 17.636 11.730 22 1HD1 LEU 15 HD11 LEU 15 90.691 16.824 9.674 23 2HD1 LEU 15 HD12 LEU 15 91.045 18.550 9.600 24 3HD1 LEU 15 HD13 LEU 15 89.395 17.999 9.892 25 1HD2 LEU 15 HD21 LEU 15 90.296 19.897 11.384 26 2HD2 LEU 15 HD22 LEU 15 91.109 19.448 12.882 27 3HD2 LEU 15 HD23 LEU 15 89.394 19.098 12.672 28 H THR 16 HN THR 16 92.455 16.035 10.993 29 HA THR 16 HA THR 16 91.770 14.108 9.076 30 HB THR 16 HB THR 16 93.041 16.041 8.434 31 HG1 THR 16 HG1 THR 16 94.722 13.771 8.216 32 1HG2 THR 16 HG21 THR 16 94.412 16.771 10.085 33 2HG2 THR 16 HG22 THR 16 95.589 15.919 9.084 34 3HG2 THR 16 HG23 THR 16 94.936 15.143 10.527 35 H GLN 17 HN GLN 17 93.698 13.888 11.942 36 HA GLN 17 HA GLN 17 95.370 11.755 11.343 37 1HB GLN 17 HB2 GLN 17 95.376 13.139 13.449 38 2HB GLN 17 HB1 GLN 17 93.998 12.194 13.996 39 1HG GLN 17 HG2 GLN 17 95.438 10.776 14.890 40 2HG GLN 17 HG1 GLN 17 95.887 10.301 13.252 41 1HE2 GLN 17 HE21 GLN 17 97.987 9.831 13.991 42 2HE2 GLN 17 HE22 GLN 17 99.134 11.086 14.299 43 H VAL 18 HN VAL 18 92.020 11.732 12.485 44 HA VAL 18 HA VAL 18 91.801 8.912 12.709 45 HB VAL 18 HB VAL 18 89.553 10.872 12.240 46 1HG1 VAL 18 HG11 VAL 18 88.263 9.064 12.312 47 2HG1 VAL 18 HG12 VAL 18 88.793 8.799 13.973 48 3HG1 VAL 18 HG13 VAL 18 89.653 8.030 12.640 49 1HG2 VAL 18 HG21 VAL 18 90.100 11.790 14.195 50 2HG2 VAL 18 HG22 VAL 18 91.337 10.571 14.497 51 3HG2 VAL 18 HG23 VAL 18 89.663 10.258 14.952 52 H LYS 19 HN LYS 19 91.077 11.199 10.110 53 HA LYS 19 HA LYS 19 89.765 9.423 8.369 54 1HB LYS 19 HB2 LYS 19 90.608 12.107 8.339 55 2HB LYS 19 HB1 LYS 19 91.365 11.352 6.945 56 1HG LYS 19 HG2 LYS 19 89.191 12.364 6.409 57 2HG LYS 19 HG1 LYS 19 89.218 10.625 6.116 58 1HD LYS 19 HD2 LYS 19 87.329 10.557 7.313 59 2HD LYS 19 HD1 LYS 19 88.361 10.791 8.724 60 1HE LYS 19 HE2 LYS 19 87.214 12.653 9.134 61 2HE LYS 19 HE1 LYS 19 87.983 13.349 7.708 62 1HZ LYS 19 HZ1 LYS 19 85.292 12.207 7.993 63 2HZ LYS 19 HZ2 LYS 19 86.050 12.150 6.483 64 3HZ LYS 19 HZ3 LYS 19 85.776 13.640 7.235 65 H GLU 20 HN GLU 20 93.121 10.585 8.275 66 HA GLU 20 HA GLU 20 94.015 8.796 6.309 67 1HB GLU 20 HB2 GLU 20 95.659 9.999 8.542 68 2HB GLU 20 HB1 GLU 20 96.260 9.389 7.009 69 1HG GLU 20 HG2 GLU 20 94.657 11.175 5.993 70 2HG GLU 20 HG1 GLU 20 94.775 11.902 7.595 71 H SER 21 HN SER 21 93.217 8.315 9.599 72 HA SER 21 HA SER 21 94.882 6.042 10.080 73 1HB SER 21 HB2 SER 21 93.198 7.728 11.565 74 2HB SER 21 HB1 SER 21 92.495 6.121 11.697 75 HG SER 21 HG SER 21 95.145 6.902 12.337 76 H LEU 22 HN LEU 22 91.371 6.427 9.604 77 HA LEU 22 HA LEU 22 90.821 3.684 9.337 78 1HB LEU 22 HB2 LEU 22 89.302 5.916 9.562 79 2HB LEU 22 HB1 LEU 22 89.096 5.569 7.856 80 HG LEU 22 HG LEU 22 88.720 3.273 9.675 81 1HD1 LEU 22 HD11 LEU 22 87.690 5.236 10.877 82 2HD1 LEU 22 HD12 LEU 22 86.590 3.914 10.480 83 3HD1 LEU 22 HD13 LEU 22 86.587 5.386 9.509 84 1HD2 LEU 22 HD21 LEU 22 87.223 2.577 8.070 85 2HD2 LEU 22 HD22 LEU 22 88.366 3.509 7.102 86 3HD2 LEU 22 HD23 LEU 22 86.823 4.222 7.575 87 H SER 23 HN SER 23 91.612 6.197 7.013 88 HA SER 23 HA SER 23 91.184 4.655 4.679 89 1HB SER 23 HB2 SER 23 93.154 6.931 4.974 90 2HB SER 23 HB1 SER 23 92.354 6.390 3.499 91 H SER 24 HN SER 24 93.874 5.019 6.872 92 HA SER 24 HA SER 24 95.798 3.696 5.247 93 1HB SER 24 HB2 SER 24 95.654 4.401 8.159 94 2HB SER 24 HB1 SER 24 96.953 3.384 7.540 95 HG SER 24 HG SER 24 97.869 5.111 6.795 96 H TYR 25 HN TYR 25 93.375 2.672 7.547 97 HA TYR 25 HA TYR 25 94.232 0.116 8.169 98 1HB TYR 25 HB2 TYR 25 92.002 1.693 8.591 99 2HB TYR 25 HB1 TYR 25 91.364 0.340 7.672 100 HD1 TYR 25 HD1 TYR 25 91.910 1.505 10.879 101 HD2 TYR 25 HD2 TYR 25 92.344 -2.036 8.561 102 HE1 TYR 25 HE1 TYR 25 91.859 0.159 12.935 103 HE2 TYR 25 HE2 TYR 25 92.292 -3.390 10.612 104 HH TYR 25 HH TYR 25 92.940 -2.707 13.281 105 H TRP 26 HN TRP 26 92.660 1.395 5.323 106 HA TRP 26 HA TRP 26 92.696 -1.262 4.045 107 1HB TRP 26 HB2 TRP 26 91.120 1.248 3.465 108 2HB TRP 26 HB1 TRP 26 91.220 -0.087 2.321 109 HD1 TRP 26 HD1 TRP 26 90.958 -2.452 4.523 110 HE1 TRP 26 HE1 TRP 26 88.653 -2.890 5.577 111 HE3 TRP 26 HE3 TRP 26 88.759 2.063 3.569 112 HZ2 TRP 26 HZ2 TRP 26 86.221 -1.506 5.952 113 HZ3 TRP 26 HZ3 TRP 26 86.440 2.424 4.305 114 HH2 TRP 26 HH2 TRP 26 85.197 0.676 5.472 115 H GLU 27 HN GLU 27 94.277 1.778 4.103 116 HA GLU 27 HA GLU 27 95.064 2.076 1.433 117 1HB GLU 27 HB2 GLU 27 95.420 3.735 3.297 118 2HB GLU 27 HB1 GLU 27 96.767 2.742 3.835 119 1HG GLU 27 HG2 GLU 27 97.515 4.640 2.505 120 2HG GLU 27 HG1 GLU 27 97.915 3.106 1.734 121 H SER 28 HN SER 28 96.565 0.222 4.061 122 HA SER 28 HA SER 28 98.844 -0.592 2.641 123 1HB SER 28 HB2 SER 28 98.725 -0.836 5.043 124 2HB SER 28 HB1 SER 28 97.379 -1.965 4.903 125 HG SER 28 HG SER 28 98.737 -3.473 4.039 126 H ALA 29 HN ALA 29 95.595 -1.922 2.855 127 HA ALA 29 HA ALA 29 96.094 -4.347 1.505 128 1HB ALA 29 HB1 ALA 29 93.476 -3.031 1.071 129 2HB ALA 29 HB2 ALA 29 93.932 -3.351 2.746 130 3HB ALA 29 HB3 ALA 29 93.845 -4.678 1.587 131 H LYS 30 HN LYS 30 95.397 -1.084 0.477 132 HA LYS 30 HA LYS 30 95.236 -1.723 -2.328 133 1HB LYS 30 HB2 LYS 30 95.643 0.976 -1.022 134 2HB LYS 30 HB1 LYS 30 95.104 0.674 -2.668 135 1HG LYS 30 HG2 LYS 30 92.996 -0.002 -1.993 136 2HG LYS 30 HG1 LYS 30 93.530 -0.366 -0.351 137 1HD LYS 30 HD2 LYS 30 92.617 1.621 0.167 138 2HD LYS 30 HD1 LYS 30 94.086 2.299 -0.538 139 1HE LYS 30 HE2 LYS 30 92.410 1.823 -2.709 140 2HE LYS 30 HE1 LYS 30 91.347 2.464 -1.458 141 1HZ LYS 30 HZ1 LYS 30 93.233 3.832 -3.059 142 2HZ LYS 30 HZ2 LYS 30 93.627 4.032 -1.427 143 3HZ LYS 30 HZ3 LYS 30 92.091 4.467 -1.985 144 H THR 31 HN THR 31 97.673 -0.820 -0.018 145 HA THR 31 HA THR 31 99.668 -0.011 -1.883 146 HB THR 31 HB THR 31 99.851 -0.969 0.974 147 HG1 THR 31 HG1 THR 31 99.962 1.652 -0.100 148 1HG2 THR 31 HG21 THR 31 102.039 -0.338 1.110 149 2HG2 THR 31 HG22 THR 31 101.938 0.713 -0.302 150 3HG2 THR 31 HG23 THR 31 101.982 -1.039 -0.507 151 H ALA 32 HN ALA 32 99.335 -2.940 0.136 152 HA ALA 32 HA ALA 32 101.402 -4.394 -1.060 153 1HB ALA 32 HB1 ALA 32 99.244 -4.924 0.798 154 2HB ALA 32 HB2 ALA 32 100.850 -5.646 0.702 155 3HB ALA 32 HB3 ALA 32 99.533 -6.294 -0.274 156 H ALA 33 HN ALA 33 98.239 -3.623 -2.140 157 HA ALA 33 HA ALA 33 98.000 -5.750 -4.059 158 1HB ALA 33 HB1 ALA 33 96.390 -3.470 -3.175 159 2HB ALA 33 HB2 ALA 33 95.889 -5.072 -3.718 160 3HB ALA 33 HB3 ALA 33 96.259 -3.817 -4.900 161 H GLN 34 HN GLN 34 99.287 -2.506 -3.980 162 HA GLN 34 HA GLN 34 99.403 -2.014 -6.753 163 1HB GLN 34 HB2 GLN 34 100.328 -0.765 -4.338 164 2HB GLN 34 HB1 GLN 34 101.627 -0.764 -5.524 165 1HG GLN 34 HG2 GLN 34 99.932 0.185 -7.155 166 2HG GLN 34 HG1 GLN 34 98.896 0.451 -5.754 167 1HE2 GLN 34 HE21 GLN 34 99.641 2.566 -7.261 168 2HE2 GLN 34 HE22 GLN 34 100.773 3.550 -6.403 169 H ASN 35 HN ASN 35 101.655 -3.569 -4.518 170 HA ASN 35 HA ASN 35 103.832 -3.856 -6.237 171 1HB ASN 35 HB2 ASN 35 103.205 -4.488 -3.630 172 2HB ASN 35 HB1 ASN 35 103.432 -6.068 -4.371 173 1HD2 ASN 35 HD21 ASN 35 104.934 -3.101 -3.429 174 2HD2 ASN 35 HD22 ASN 35 106.567 -3.598 -3.693 175 H LEU 36 HN LEU 36 101.192 -6.136 -5.504 176 HA LEU 36 HA LEU 36 102.045 -8.143 -7.281 177 1HB LEU 36 HB2 LEU 36 100.118 -7.776 -5.327 178 2HB LEU 36 HB1 LEU 36 99.186 -8.043 -6.787 179 HG LEU 36 HG LEU 36 101.406 -9.931 -6.106 180 1HD1 LEU 36 HD11 LEU 36 99.517 -9.408 -4.226 181 2HD1 LEU 36 HD12 LEU 36 100.335 -10.958 -4.424 182 3HD1 LEU 36 HD13 LEU 36 98.746 -10.701 -5.144 183 1HD2 LEU 36 HD21 LEU 36 99.012 -9.869 -7.837 184 2HD2 LEU 36 HD22 LEU 36 99.403 -11.415 -7.083 185 3HD2 LEU 36 HD23 LEU 36 100.591 -10.607 -8.106 186 H TYR 37 HN TYR 37 100.092 -5.273 -7.691 187 HA TYR 37 HA TYR 37 99.257 -6.110 -10.372 188 1HB TYR 37 HB2 TYR 37 98.324 -4.112 -8.397 189 2HB TYR 37 HB1 TYR 37 98.144 -3.675 -10.094 190 HD1 TYR 37 HD1 TYR 37 96.902 -5.715 -7.387 191 HD2 TYR 37 HD2 TYR 37 96.800 -5.156 -11.603 192 HE1 TYR 37 HE1 TYR 37 94.874 -7.099 -7.515 193 HE2 TYR 37 HE2 TYR 37 94.769 -6.537 -11.742 194 HH TYR 37 HH TYR 37 93.779 -8.525 -10.098 195 H GLU 38 HN GLU 38 101.876 -4.535 -9.070 196 HA GLU 38 HA GLU 38 102.414 -3.213 -11.630 197 1HB GLU 38 HB2 GLU 38 102.817 -1.897 -8.942 198 2HB GLU 38 HB1 GLU 38 103.336 -1.237 -10.487 199 1HG GLU 38 HG2 GLU 38 100.466 -1.923 -10.041 200 2HG GLU 38 HG1 GLU 38 101.132 -0.417 -9.412 201 H LYS 39 HN LYS 39 103.864 -3.870 -8.453 202 HA LYS 39 HA LYS 39 106.510 -4.031 -9.508 203 1HB LYS 39 HB2 LYS 39 105.446 -4.997 -6.852 204 2HB LYS 39 HB1 LYS 39 107.142 -4.792 -7.266 205 1HG LYS 39 HG2 LYS 39 105.169 -2.527 -7.324 206 2HG LYS 39 HG1 LYS 39 106.096 -2.961 -5.887 207 1HD LYS 39 HD2 LYS 39 108.011 -2.106 -6.707 208 2HD LYS 39 HD1 LYS 39 107.677 -2.666 -8.348 209 1HE LYS 39 HE2 LYS 39 107.489 -0.416 -8.669 210 2HE LYS 39 HE1 LYS 39 105.823 -0.789 -8.231 211 1HZ LYS 39 HZ1 LYS 39 107.864 0.107 -6.273 212 2HZ LYS 39 HZ2 LYS 39 106.195 -0.024 -6.033 213 3HZ LYS 39 HZ3 LYS 39 106.808 1.165 -7.067 214 H THR 40 HN THR 40 103.985 -6.113 -9.865 215 HA THR 40 HA THR 40 105.780 -8.422 -10.143 216 HB THR 40 HB THR 40 102.955 -8.281 -9.108 217 HG1 THR 40 HG1 THR 40 105.446 -9.068 -8.083 218 1HG2 THR 40 HG21 THR 40 102.930 -10.713 -8.998 219 2HG2 THR 40 HG22 THR 40 104.444 -10.766 -9.902 220 3HG2 THR 40 HG23 THR 40 102.985 -10.128 -10.660 221 H TYR 41 HN TYR 41 103.654 -6.272 -11.656 222 HA TYR 41 HA TYR 41 102.501 -7.930 -13.626 223 1HB TYR 41 HB2 TYR 41 102.254 -5.303 -12.834 224 2HB TYR 41 HB1 TYR 41 102.978 -5.159 -14.429 225 HD1 TYR 41 HD1 TYR 41 100.201 -6.972 -12.710 226 HD2 TYR 41 HD2 TYR 41 101.580 -5.081 -16.263 227 HE1 TYR 41 HE1 TYR 41 97.986 -7.286 -13.732 228 HE2 TYR 41 HE2 TYR 41 99.370 -5.391 -17.295 229 HH TYR 41 HH TYR 41 96.631 -6.168 -15.568 230 H LEU 42 HN LEU 42 103.107 -6.495 -16.006 231 HA LEU 42 HA LEU 42 105.103 -8.008 -17.133 232 1HB LEU 42 HB2 LEU 42 103.800 -5.437 -17.865 233 2HB LEU 42 HB1 LEU 42 105.215 -5.933 -18.773 234 HG LEU 42 HG LEU 42 103.000 -7.900 -18.430 235 1HD1 LEU 42 HD11 LEU 42 102.047 -5.627 -19.102 236 2HD1 LEU 42 HD12 LEU 42 101.677 -7.006 -20.139 237 3HD1 LEU 42 HD13 LEU 42 102.920 -5.850 -20.618 238 1HD2 LEU 42 HD21 LEU 42 103.928 -7.896 -21.033 239 2HD2 LEU 42 HD22 LEU 42 104.435 -8.990 -19.746 240 3HD2 LEU 42 HD23 LEU 42 105.364 -7.528 -20.078 241 HA PRO 43 HA PRO 43 108.262 -4.382 -16.567 242 1HB PRO 43 HB2 PRO 43 107.701 -2.548 -14.637 243 2HB PRO 43 HB1 PRO 43 107.244 -2.352 -16.332 244 1HG PRO 43 HG2 PRO 43 105.589 -3.283 -14.017 245 2HG PRO 43 HG1 PRO 43 105.156 -2.170 -15.330 246 1HD PRO 43 HD2 PRO 43 104.387 -4.754 -15.313 247 2HD PRO 43 HD1 PRO 43 104.741 -3.884 -16.816 248 H ALA 44 HN ALA 44 107.289 -6.712 -14.689 249 HA ALA 44 HA ALA 44 109.443 -6.310 -12.744 250 1HB ALA 44 HB1 ALA 44 107.169 -7.886 -11.761 251 2HB ALA 44 HB2 ALA 44 106.845 -6.169 -11.991 252 3HB ALA 44 HB3 ALA 44 108.163 -6.683 -10.940 253 H VAL 45 HN VAL 45 108.723 -7.948 -15.327 254 HA VAL 45 HA VAL 45 108.957 -10.680 -14.503 255 HB VAL 45 HB VAL 45 109.472 -9.516 -17.244 256 1HG1 VAL 45 HG11 VAL 45 108.667 -12.305 -16.430 257 2HG1 VAL 45 HG12 VAL 45 110.305 -11.813 -16.861 258 3HG1 VAL 45 HG13 VAL 45 109.015 -11.738 -18.062 259 1HG2 VAL 45 HG21 VAL 45 106.891 -10.804 -16.509 260 2HG2 VAL 45 HG22 VAL 45 107.236 -9.579 -17.730 261 3HG2 VAL 45 HG23 VAL 45 107.167 -9.130 -16.026 262 H ASP 46 HN ASP 46 111.174 -8.158 -15.513 263 HA ASP 46 HA ASP 46 113.427 -9.918 -15.784 264 1HB ASP 46 HB2 ASP 46 112.829 -7.207 -16.416 265 2HB ASP 46 HB1 ASP 46 114.260 -7.213 -15.390 266 H GLU 47 HN GLU 47 111.938 -8.150 -13.215 267 HA GLU 47 HA GLU 47 114.232 -8.127 -11.500 268 1HB GLU 47 HB2 GLU 47 111.299 -7.642 -10.999 269 2HB GLU 47 HB1 GLU 47 112.515 -7.554 -9.732 270 1HG GLU 47 HG2 GLU 47 113.652 -5.766 -10.930 271 2HG GLU 47 HG1 GLU 47 112.455 -5.862 -12.221 272 H LYS 48 HN LYS 48 111.179 -9.979 -11.494 273 HA LYS 48 HA LYS 48 111.707 -11.638 -9.351 274 1HB LYS 48 HB2 LYS 48 110.225 -13.308 -10.498 275 2HB LYS 48 HB1 LYS 48 109.541 -11.694 -10.361 276 1HG LYS 48 HG2 LYS 48 109.283 -11.552 -12.553 277 2HG LYS 48 HG1 LYS 48 110.980 -11.948 -12.830 278 1HD LYS 48 HD2 LYS 48 110.126 -14.388 -12.257 279 2HD LYS 48 HD1 LYS 48 108.589 -13.716 -12.807 280 1HE LYS 48 HE2 LYS 48 109.740 -12.981 -14.893 281 2HE LYS 48 HE1 LYS 48 111.178 -13.839 -14.344 282 1HZ LYS 48 HZ1 LYS 48 108.574 -14.950 -15.169 283 2HZ LYS 48 HZ2 LYS 48 109.625 -15.844 -14.191 284 3HZ LYS 48 HZ3 LYS 48 110.122 -15.344 -15.730 285 H LEU 49 HN LEU 49 112.924 -11.786 -12.620 286 HA LEU 49 HA LEU 49 114.271 -14.319 -12.124 287 1HB LEU 49 HB2 LEU 49 114.460 -14.537 -14.380 288 2HB LEU 49 HB1 LEU 49 113.062 -13.485 -14.306 289 HG LEU 49 HG LEU 49 114.898 -11.590 -14.517 290 1HD1 LEU 49 HD11 LEU 49 116.917 -12.172 -15.290 291 2HD1 LEU 49 HD12 LEU 49 116.257 -13.416 -16.353 292 3HD1 LEU 49 HD13 LEU 49 116.536 -13.769 -14.648 293 1HD2 LEU 49 HD21 LEU 49 114.183 -13.171 -16.966 294 2HD2 LEU 49 HD22 LEU 49 114.347 -11.424 -16.788 295 3HD2 LEU 49 HD23 LEU 49 112.975 -12.259 -16.061 296 H ARG 50 HN ARG 50 114.905 -10.973 -11.889 297 HA ARG 50 HA ARG 50 117.708 -11.536 -11.319 298 1HB ARG 50 HB2 ARG 50 117.200 -10.709 -13.802 299 2HB ARG 50 HB1 ARG 50 117.200 -9.140 -13.013 300 1HG ARG 50 HG2 ARG 50 119.409 -9.097 -13.016 301 2HG ARG 50 HG1 ARG 50 119.471 -10.620 -12.125 302 1HD ARG 50 HD2 ARG 50 120.689 -10.798 -14.225 303 2HD ARG 50 HD1 ARG 50 119.277 -11.855 -14.231 304 HE ARG 50 HE ARG 50 118.750 -9.296 -15.398 305 1HH1 ARG 50 HH11 ARG 50 120.067 -12.470 -16.017 306 2HH1 ARG 50 HH12 ARG 50 119.783 -12.391 -17.724 307 1HH2 ARG 50 HH21 ARG 50 118.374 -9.193 -17.638 308 2HH2 ARG 50 HH22 ARG 50 118.819 -10.530 -18.645 309 H ASP 51 HN ASP 51 116.936 -11.121 -9.159 310 HA ASP 51 HA ASP 51 117.226 -8.344 -8.440 311 1HB ASP 51 HB2 ASP 51 114.583 -9.543 -8.567 312 2HB ASP 51 HB1 ASP 51 114.963 -9.003 -6.938 313 H LEU 52 HN LEU 52 116.249 -11.550 -7.248 314 HA LEU 52 HA LEU 52 116.807 -11.397 -4.600 315 1HB LEU 52 HB2 LEU 52 117.594 -13.798 -4.777 316 2HB LEU 52 HB1 LEU 52 116.001 -13.447 -5.420 317 HG LEU 52 HG LEU 52 117.384 -13.177 -7.681 318 1HD1 LEU 52 HD11 LEU 52 119.011 -15.258 -7.513 319 2HD1 LEU 52 HD12 LEU 52 119.138 -14.709 -5.841 320 3HD1 LEU 52 HD13 LEU 52 119.556 -13.618 -7.162 321 1HD2 LEU 52 HD21 LEU 52 116.955 -15.669 -8.028 322 2HD2 LEU 52 HD22 LEU 52 115.573 -14.661 -7.597 323 3HD2 LEU 52 HD23 LEU 52 116.343 -15.671 -6.373 324 H TYR 53 HN TYR 53 119.100 -11.441 -7.219 325 HA TYR 53 HA TYR 53 121.411 -11.746 -5.496 326 1HB TYR 53 HB2 TYR 53 121.003 -12.329 -8.095 327 2HB TYR 53 HB1 TYR 53 121.733 -10.736 -8.265 328 HD1 TYR 53 HD1 TYR 53 122.265 -14.169 -7.044 329 HD2 TYR 53 HD2 TYR 53 124.054 -10.379 -7.770 330 HE1 TYR 53 HE1 TYR 53 124.490 -15.161 -6.704 331 HE2 TYR 53 HE2 TYR 53 126.284 -11.360 -7.436 332 HH TYR 53 HH TYR 53 127.188 -13.457 -6.102 333 H SER 54 HN SER 54 120.205 -9.176 -7.659 334 HA SER 54 HA SER 54 121.993 -7.222 -6.559 335 1HB SER 54 HB2 SER 54 119.876 -7.233 -8.660 336 2HB SER 54 HB1 SER 54 120.364 -5.681 -7.980 337 HG SER 54 HG SER 54 122.462 -7.328 -8.661 338 H LYS 55 HN LYS 55 119.645 -8.541 -4.978 339 HA LYS 55 HA LYS 55 118.730 -6.018 -3.779 340 1HB LYS 55 HB2 LYS 55 117.111 -7.978 -4.922 341 2HB LYS 55 HB1 LYS 55 116.976 -8.252 -3.193 342 1HG LYS 55 HG2 LYS 55 116.065 -6.147 -2.808 343 2HG LYS 55 HG1 LYS 55 116.648 -5.511 -4.347 344 1HD LYS 55 HD2 LYS 55 115.073 -6.974 -5.534 345 2HD LYS 55 HD1 LYS 55 114.479 -7.581 -3.988 346 1HE LYS 55 HE2 LYS 55 114.222 -4.809 -5.126 347 2HE LYS 55 HE1 LYS 55 112.936 -5.933 -4.691 348 1HZ LYS 55 HZ1 LYS 55 112.915 -4.580 -2.882 349 2HZ LYS 55 HZ2 LYS 55 114.564 -4.215 -2.971 350 3HZ LYS 55 HZ3 LYS 55 114.061 -5.703 -2.344 351 H SER 56 HN SER 56 120.492 -8.839 -3.339 352 HA SER 56 HA SER 56 120.291 -8.598 -0.409 353 1HB SER 56 HB2 SER 56 120.229 -10.935 -2.161 354 2HB SER 56 HB1 SER 56 121.427 -11.072 -0.875 355 HG SER 56 HG SER 56 118.727 -10.325 -0.434 356 H THR 57 HN THR 57 122.189 -7.719 -2.889 357 HA THR 57 HA THR 57 124.659 -8.119 -1.334 358 HB THR 57 HB THR 57 124.696 -9.412 -3.424 359 HG1 THR 57 HG1 THR 57 126.597 -8.207 -2.558 360 1HG2 THR 57 HG21 THR 57 124.994 -7.107 -5.181 361 2HG2 THR 57 HG22 THR 57 123.353 -7.346 -4.584 362 3HG2 THR 57 HG23 THR 57 124.174 -8.645 -5.447 363 H ALA 58 HN ALA 58 122.529 -5.884 -2.854 364 HA ALA 58 HA ALA 58 124.309 -3.701 -2.050 365 1HB ALA 58 HB1 ALA 58 123.569 -2.475 -4.158 366 2HB ALA 58 HB2 ALA 58 123.075 -4.056 -4.763 367 3HB ALA 58 HB3 ALA 58 124.765 -3.757 -4.351 368 H ALA 59 HN ALA 59 121.046 -4.565 -3.181 369 HA ALA 59 HA ALA 59 119.821 -2.193 -2.280 370 1HB ALA 59 HB1 ALA 59 118.303 -4.758 -2.360 371 2HB ALA 59 HB2 ALA 59 118.924 -4.064 -3.857 372 3HB ALA 59 HB3 ALA 59 117.806 -3.140 -2.856 373 H MET 60 HN MET 60 121.130 -4.781 -0.504 374 HA MET 60 HA MET 60 119.362 -4.253 1.783 375 1HB MET 60 HB2 MET 60 120.405 -6.222 2.819 376 2HB MET 60 HB1 MET 60 119.677 -6.599 1.267 377 1HG MET 60 HG2 MET 60 121.578 -7.464 0.585 378 2HG MET 60 HG1 MET 60 122.373 -5.908 0.789 379 1HE MET 60 HE1 MET 60 124.822 -6.408 3.387 380 2HE MET 60 HE2 MET 60 123.476 -5.284 3.569 381 3HE MET 60 HE3 MET 60 124.187 -5.558 1.979 382 H SER 61 HN SER 61 122.735 -4.085 0.785 383 HA SER 61 HA SER 61 123.697 -3.239 3.339 384 1HB SER 61 HB2 SER 61 125.620 -2.384 1.601 385 2HB SER 61 HB1 SER 61 125.520 -4.024 2.240 386 HG SER 61 HG SER 61 124.498 -3.076 -0.229 387 H THR 62 HN THR 62 122.480 -1.656 0.475 388 HA THR 62 HA THR 62 123.276 0.978 1.338 389 HB THR 62 HB THR 62 121.359 0.175 -0.861 390 HG1 THR 62 HG1 THR 62 123.146 0.394 -2.213 391 1HG2 THR 62 HG21 THR 62 121.089 2.314 -1.339 392 2HG2 THR 62 HG22 THR 62 122.833 2.579 -1.347 393 3HG2 THR 62 HG23 THR 62 121.927 2.715 0.160 394 H TYR 63 HN TYR 63 120.566 -1.125 1.772 395 HA TYR 63 HA TYR 63 118.588 0.813 2.351 396 1HB TYR 63 HB2 TYR 63 118.740 -1.950 2.088 397 2HB TYR 63 HB1 TYR 63 118.291 -1.698 3.771 398 HD1 TYR 63 HD1 TYR 63 116.577 0.666 3.637 399 HD2 TYR 63 HD2 TYR 63 116.808 -2.669 1.005 400 HE1 TYR 63 HE1 TYR 63 114.245 1.047 2.955 401 HE2 TYR 63 HE2 TYR 63 114.479 -2.295 0.317 402 HH TYR 63 HH TYR 63 112.420 -1.205 1.293 403 H THR 64 HN THR 64 121.098 -0.771 4.201 404 HA THR 64 HA THR 64 120.254 -0.269 6.802 405 HB THR 64 HB THR 64 122.514 -0.551 7.484 406 HG1 THR 64 HG1 THR 64 123.153 0.377 4.895 407 1HG2 THR 64 HG21 THR 64 121.464 -2.275 5.514 408 2HG2 THR 64 HG22 THR 64 122.640 -2.636 6.777 409 3HG2 THR 64 HG23 THR 64 123.188 -2.086 5.194 410 H GLY 65 HN GLY 65 121.434 1.831 4.367 411 1HA GLY 65 HA2 GLY 65 121.807 4.064 6.208 412 2HA GLY 65 HA1 GLY 65 122.136 4.072 4.479 413 H ILE 66 HN ILE 66 119.467 2.781 3.972 414 HA ILE 66 HA ILE 66 117.954 5.256 3.873 415 HB ILE 66 HB ILE 66 117.137 2.547 2.830 416 1HG1 ILE 66 HG12 ILE 66 119.233 3.164 1.783 417 2HG1 ILE 66 HG11 ILE 66 117.928 3.382 0.624 418 1HG2 ILE 66 HG21 ILE 66 115.889 5.163 2.887 419 2HG2 ILE 66 HG22 ILE 66 115.201 3.590 2.482 420 3HG2 ILE 66 HG23 ILE 66 116.036 4.531 1.245 421 1HD1 ILE 66 HD11 ILE 66 118.004 5.850 1.592 422 2HD1 ILE 66 HD12 ILE 66 119.046 5.315 0.273 423 3HD1 ILE 66 HD13 ILE 66 119.673 5.384 1.921 424 H PHE 67 HN PHE 67 118.269 2.710 6.019 425 HA PHE 67 HA PHE 67 115.653 2.193 6.832 426 1HB PHE 67 HB2 PHE 67 118.160 1.357 7.536 427 2HB PHE 67 HB1 PHE 67 117.667 2.260 8.962 428 HD1 PHE 67 HD1 PHE 67 116.026 1.407 10.453 429 HD2 PHE 67 HD2 PHE 67 116.813 -0.576 6.772 430 HE1 PHE 67 HE1 PHE 67 114.707 -0.524 11.216 431 HE2 PHE 67 HE2 PHE 67 115.494 -2.510 7.528 432 HZ PHE 67 HZ PHE 67 114.439 -2.486 9.753 433 H THR 68 HN THR 68 117.991 4.572 7.997 434 HA THR 68 HA THR 68 116.197 5.761 9.876 435 HB THR 68 HB THR 68 118.343 7.509 8.973 436 HG1 THR 68 HG1 THR 68 119.947 6.167 8.929 437 1HG2 THR 68 HG21 THR 68 117.120 7.359 11.253 438 2HG2 THR 68 HG22 THR 68 118.844 7.732 11.201 439 3HG2 THR 68 HG23 THR 68 118.306 6.099 11.597 440 H ASP 69 HN ASP 69 116.894 6.207 6.502 441 HA ASP 69 HA ASP 69 115.967 8.812 6.111 442 1HB ASP 69 HB2 ASP 69 116.685 6.562 4.474 443 2HB ASP 69 HB1 ASP 69 115.215 7.298 3.843 444 H GLN 70 HN GLN 70 114.245 5.963 6.929 445 HA GLN 70 HA GLN 70 111.693 7.161 6.101 446 1HB GLN 70 HB2 GLN 70 112.671 4.406 6.426 447 2HB GLN 70 HB1 GLN 70 111.050 4.681 7.051 448 1HG GLN 70 HG2 GLN 70 110.280 4.440 4.996 449 2HG GLN 70 HG1 GLN 70 111.111 5.931 4.554 450 1HE2 GLN 70 HE21 GLN 70 110.578 3.177 3.280 451 2HE2 GLN 70 HE22 GLN 70 112.111 2.752 2.607 452 H VAL 71 HN VAL 71 113.569 7.497 8.638 453 HA VAL 71 HA VAL 71 111.543 7.004 10.703 454 HB VAL 71 HB VAL 71 114.461 7.759 10.916 455 1HG1 VAL 71 HG11 VAL 71 113.194 6.825 13.361 456 2HG1 VAL 71 HG12 VAL 71 112.506 8.341 12.784 457 3HG1 VAL 71 HG13 VAL 71 114.236 8.221 13.089 458 1HG2 VAL 71 HG21 VAL 71 114.159 5.475 10.232 459 2HG2 VAL 71 HG22 VAL 71 112.970 5.207 11.506 460 3HG2 VAL 71 HG23 VAL 71 114.659 5.497 11.922 461 H LEU 72 HN LEU 72 113.516 9.637 9.354 462 HA LEU 72 HA LEU 72 112.030 11.548 10.963 463 1HB LEU 72 HB2 LEU 72 113.592 13.177 9.655 464 2HB LEU 72 HB1 LEU 72 114.230 12.220 10.974 465 HG LEU 72 HG LEU 72 114.450 11.017 8.278 466 1HD1 LEU 72 HD11 LEU 72 115.111 13.095 7.515 467 2HD1 LEU 72 HD12 LEU 72 116.637 12.390 8.045 468 3HD1 LEU 72 HD13 LEU 72 115.805 13.562 9.067 469 1HD2 LEU 72 HD21 LEU 72 115.993 11.119 10.827 470 2HD2 LEU 72 HD22 LEU 72 116.829 10.706 9.332 471 3HD2 LEU 72 HD23 LEU 72 115.470 9.726 9.881 472 H SER 73 HN SER 73 112.094 10.158 7.859 473 HA SER 73 HA SER 73 110.673 12.289 6.535 474 1HB SER 73 HB2 SER 73 112.311 10.410 5.590 475 2HB SER 73 HB1 SER 73 110.777 9.577 5.353 476 HG SER 73 HG SER 73 110.211 11.824 4.405 477 H VAL 74 HN VAL 74 109.850 9.774 8.615 478 HA VAL 74 HA VAL 74 107.048 9.872 7.697 479 HB VAL 74 HB VAL 74 108.368 7.529 9.054 480 1HG1 VAL 74 HG11 VAL 74 106.192 7.105 9.480 481 2HG1 VAL 74 HG12 VAL 74 106.191 6.537 7.811 482 3HG1 VAL 74 HG13 VAL 74 105.621 8.163 8.189 483 1HG2 VAL 74 HG21 VAL 74 108.171 6.431 6.807 484 2HG2 VAL 74 HG22 VAL 74 109.381 7.710 6.908 485 3HG2 VAL 74 HG23 VAL 74 107.829 8.025 6.132 486 H LEU 75 HN LEU 75 109.261 10.271 10.323 487 HA LEU 75 HA LEU 75 106.949 10.509 12.153 488 1HB LEU 75 HB2 LEU 75 109.694 9.809 13.114 489 2HB LEU 75 HB1 LEU 75 108.152 9.579 13.918 490 HG LEU 75 HG LEU 75 108.651 8.104 11.378 491 1HD1 LEU 75 HD11 LEU 75 110.058 6.540 12.251 492 2HD1 LEU 75 HD12 LEU 75 109.541 6.836 13.911 493 3HD1 LEU 75 HD13 LEU 75 110.636 7.965 13.114 494 1HD2 LEU 75 HD21 LEU 75 106.468 8.001 12.491 495 2HD2 LEU 75 HD22 LEU 75 107.246 7.389 13.952 496 3HD2 LEU 75 HD23 LEU 75 107.267 6.428 12.473 497 H LYS 76 HN LYS 76 109.602 12.230 10.808 498 HA LYS 76 HA LYS 76 109.482 14.153 13.038 499 1HB LYS 76 HB2 LYS 76 111.601 13.223 11.272 500 2HB LYS 76 HB1 LYS 76 111.548 14.968 11.420 501 1HG LYS 76 HG2 LYS 76 112.308 14.940 13.525 502 2HG LYS 76 HG1 LYS 76 111.304 13.562 13.970 503 1HD LYS 76 HD2 LYS 76 112.995 12.210 12.522 504 2HD LYS 76 HD1 LYS 76 114.043 13.608 12.769 505 1HE LYS 76 HE2 LYS 76 113.254 13.232 15.290 506 2HE LYS 76 HE1 LYS 76 113.081 11.579 14.707 507 1HZ LYS 76 HZ1 LYS 76 115.242 11.579 15.397 508 2HZ LYS 76 HZ2 LYS 76 115.506 13.202 15.003 509 3HZ LYS 76 HZ3 LYS 76 115.465 12.032 13.782 510 H GLY 77 HN GLY 77 108.386 13.691 9.884 511 1HA GLY 77 HA2 GLY 77 106.746 15.424 9.185 512 2HA GLY 77 HA1 GLY 77 107.996 16.603 9.557 513 H GLU 78 HN GLU 78 108.358 13.509 7.913 514 HA GLU 78 HA GLU 78 109.151 12.955 5.870 515 1HB GLU 78 HB2 GLU 78 107.049 14.423 5.386 516 2HB GLU 78 HB1 GLU 78 108.233 15.571 4.777 517 1HG GLU 78 HG2 GLU 78 107.835 14.467 2.851 518 2HG GLU 78 HG1 GLU 78 109.083 13.400 3.495 519 H GLU 79 HN GLU 79 111.219 13.665 7.320 520 HA GLU 79 HA GLU 79 112.634 15.786 5.842 521 1HB GLU 79 HB2 GLU 79 113.677 14.386 8.289 522 2HB GLU 79 HB1 GLU 79 114.134 15.955 7.649 523 1HG GLU 79 HG2 GLU 79 111.334 15.924 8.262 524 2HG GLU 79 HG1 GLU 79 112.271 15.403 9.661 Start of MODEL 6 1 H THR 13 H THR 13 106.545 5.918 19.210 2 HA THR 13 HA THR 13 105.008 8.277 20.063 3 HB THR 13 HB THR 13 104.481 8.303 17.539 4 HG1 THR 13 HG1 THR 13 105.492 6.334 17.028 5 1HG2 THR 13 HG21 THR 13 107.336 9.015 18.000 6 2HG2 THR 13 HG22 THR 13 106.060 9.891 18.845 7 3HG2 THR 13 HG23 THR 13 106.096 9.868 17.082 8 H PHE 14 HN PHE 14 103.081 7.638 20.742 9 HA PHE 14 HA PHE 14 102.048 5.016 19.950 10 1HB PHE 14 HB2 PHE 14 102.045 6.382 22.363 11 2HB PHE 14 HB1 PHE 14 100.389 6.565 21.790 12 HD1 PHE 14 HD1 PHE 14 103.004 4.101 22.634 13 HD2 PHE 14 HD2 PHE 14 98.878 4.756 21.824 14 HE1 PHE 14 HE1 PHE 14 102.498 1.812 23.385 15 HE2 PHE 14 HE2 PHE 14 98.363 2.470 22.575 16 HZ PHE 14 HZ PHE 14 100.175 0.995 23.355 17 H LEU 15 HN LEU 15 101.229 8.446 19.776 18 HA LEU 15 HA LEU 15 98.630 8.305 18.838 19 1HB LEU 15 HB2 LEU 15 99.010 10.492 17.834 20 2HB LEU 15 HB1 LEU 15 99.702 10.400 19.442 21 HG LEU 15 HG LEU 15 101.756 9.670 17.639 22 1HD1 LEU 15 HD11 LEU 15 99.991 11.073 16.159 23 2HD1 LEU 15 HD12 LEU 15 101.735 11.093 15.900 24 3HD1 LEU 15 HD13 LEU 15 100.966 12.383 16.825 25 1HD2 LEU 15 HD21 LEU 15 102.002 10.782 19.820 26 2HD2 LEU 15 HD22 LEU 15 101.317 12.253 19.132 27 3HD2 LEU 15 HD23 LEU 15 102.856 11.634 18.533 28 H THR 16 HN THR 16 101.644 7.797 17.117 29 HA THR 16 HA THR 16 100.566 7.838 14.496 30 HB THR 16 HB THR 16 102.983 6.242 15.313 31 HG1 THR 16 HG1 THR 16 102.847 9.047 14.924 32 1HG2 THR 16 HG21 THR 16 103.808 6.626 13.196 33 2HG2 THR 16 HG22 THR 16 102.749 8.009 12.920 34 3HG2 THR 16 HG23 THR 16 102.090 6.373 12.898 35 H GLN 17 HN GLN 17 100.378 5.549 17.025 36 HA GLN 17 HA GLN 17 100.080 3.221 15.378 37 1HB GLN 17 HB2 GLN 17 100.591 3.644 18.043 38 2HB GLN 17 HB1 GLN 17 98.919 3.100 18.068 39 1HG GLN 17 HG2 GLN 17 100.651 1.493 16.355 40 2HG GLN 17 HG1 GLN 17 101.118 1.487 18.054 41 1HE2 GLN 17 HE21 GLN 17 98.322 1.071 15.929 42 2HE2 GLN 17 HE22 GLN 17 97.533 -0.116 16.906 43 H VAL 18 HN VAL 18 98.064 5.827 16.095 44 HA VAL 18 HA VAL 18 95.601 4.258 15.760 45 HB VAL 18 HB VAL 18 95.844 7.201 16.387 46 1HG1 VAL 18 HG11 VAL 18 93.491 6.399 17.423 47 2HG1 VAL 18 HG12 VAL 18 93.614 5.306 16.044 48 3HG1 VAL 18 HG13 VAL 18 93.672 7.052 15.795 49 1HG2 VAL 18 HG21 VAL 18 96.138 4.834 18.101 50 2HG2 VAL 18 HG22 VAL 18 95.013 6.052 18.700 51 3HG2 VAL 18 HG23 VAL 18 96.684 6.492 18.350 52 H LYS 19 HN LYS 19 97.485 6.848 14.285 53 HA LYS 19 HA LYS 19 95.632 7.564 12.276 54 1HB LYS 19 HB2 LYS 19 98.173 8.384 13.096 55 2HB LYS 19 HB1 LYS 19 98.395 7.826 11.445 56 1HG LYS 19 HG2 LYS 19 97.929 10.118 11.277 57 2HG LYS 19 HG1 LYS 19 96.430 9.302 10.829 58 1HD LYS 19 HD2 LYS 19 95.320 10.066 12.642 59 2HD LYS 19 HD1 LYS 19 96.731 9.933 13.692 60 1HE LYS 19 HE2 LYS 19 97.237 11.964 11.767 61 2HE LYS 19 HE1 LYS 19 95.644 12.252 12.465 62 1HZ LYS 19 HZ1 LYS 19 96.781 11.944 14.690 63 2HZ LYS 19 HZ2 LYS 19 97.141 13.367 13.849 64 3HZ LYS 19 HZ3 LYS 19 98.248 12.087 13.859 65 H GLU 20 HN GLU 20 98.635 5.685 11.994 66 HA GLU 20 HA GLU 20 98.183 4.728 9.410 67 1HB GLU 20 HB2 GLU 20 99.741 3.463 11.673 68 2HB GLU 20 HB1 GLU 20 99.828 2.951 9.993 69 1HG GLU 20 HG2 GLU 20 100.313 5.686 9.921 70 2HG GLU 20 HG1 GLU 20 101.187 5.109 11.339 71 H SER 21 HN SER 21 96.745 3.855 12.399 72 HA SER 21 HA SER 21 95.936 1.213 11.642 73 1HB SER 21 HB2 SER 21 96.060 2.714 13.983 74 2HB SER 21 HB1 SER 21 94.338 2.465 13.716 75 HG SER 21 HG SER 21 95.045 0.707 14.844 76 H LEU 22 HN LEU 22 94.142 4.250 12.182 77 HA LEU 22 HA LEU 22 91.709 3.325 11.118 78 1HB LEU 22 HB2 LEU 22 92.863 5.938 11.877 79 2HB LEU 22 HB1 LEU 22 91.550 5.998 10.716 80 HG LEU 22 HG LEU 22 91.298 4.523 13.326 81 1HD1 LEU 22 HD11 LEU 22 90.709 6.390 14.463 82 2HD1 LEU 22 HD12 LEU 22 90.102 7.212 13.025 83 3HD1 LEU 22 HD13 LEU 22 91.837 7.134 13.330 84 1HD2 LEU 22 HD21 LEU 22 89.710 4.064 11.445 85 2HD2 LEU 22 HD22 LEU 22 89.198 5.749 11.547 86 3HD2 LEU 22 HD23 LEU 22 88.954 4.668 12.919 87 H SER 23 HN SER 23 94.520 4.821 9.669 88 HA SER 23 HA SER 23 93.327 5.323 7.130 89 1HB SER 23 HB2 SER 23 95.568 6.231 8.266 90 2HB SER 23 HB1 SER 23 96.267 4.904 7.339 91 H SER 24 HN SER 24 95.151 2.666 8.519 92 HA SER 24 HA SER 24 95.549 1.218 6.130 93 1HB SER 24 HB2 SER 24 95.499 0.433 9.029 94 2HB SER 24 HB1 SER 24 95.702 -0.771 7.757 95 HG SER 24 HG SER 24 97.602 0.153 7.172 96 H TYR 25 HN TYR 25 92.874 1.411 8.395 97 HA TYR 25 HA TYR 25 91.413 -0.831 7.664 98 1HB TYR 25 HB2 TYR 25 91.108 1.333 9.325 99 2HB TYR 25 HB1 TYR 25 89.833 1.588 8.144 100 HD1 TYR 25 HD1 TYR 25 90.314 0.374 11.262 101 HD2 TYR 25 HD2 TYR 25 88.699 -0.912 7.543 102 HE1 TYR 25 HE1 TYR 25 88.908 -1.261 12.445 103 HE2 TYR 25 HE2 TYR 25 87.288 -2.549 8.714 104 HH TYR 25 HH TYR 25 86.316 -2.835 11.009 105 H TRP 26 HN TRP 26 91.754 2.308 6.173 106 HA TRP 26 HA TRP 26 89.888 1.583 4.029 107 1HB TRP 26 HB2 TRP 26 90.727 4.079 5.274 108 2HB TRP 26 HB1 TRP 26 90.831 4.152 3.518 109 HD1 TRP 26 HD1 TRP 26 88.536 3.941 2.140 110 HE1 TRP 26 HE1 TRP 26 86.084 4.298 2.836 111 HE3 TRP 26 HE3 TRP 26 89.106 3.815 7.219 112 HZ2 TRP 26 HZ2 TRP 26 84.589 4.501 5.222 113 HZ3 TRP 26 HZ3 TRP 26 87.115 4.099 8.636 114 HH2 TRP 26 HH2 TRP 26 84.904 4.435 7.658 115 H GLU 27 HN GLU 27 93.239 1.795 4.746 116 HA GLU 27 HA GLU 27 94.304 2.411 2.229 117 1HB GLU 27 HB2 GLU 27 95.561 2.260 4.407 118 2HB GLU 27 HB1 GLU 27 95.523 0.510 4.233 119 1HG GLU 27 HG2 GLU 27 96.710 0.759 2.066 120 2HG GLU 27 HG1 GLU 27 96.852 2.485 2.392 121 H SER 28 HN SER 28 93.040 -0.594 3.524 122 HA SER 28 HA SER 28 94.078 -2.298 1.524 123 1HB SER 28 HB2 SER 28 93.301 -3.724 3.062 124 2HB SER 28 HB1 SER 28 92.229 -2.514 3.758 125 HG SER 28 HG SER 28 91.404 -4.563 2.567 126 H ALA 29 HN ALA 29 91.034 -0.524 1.835 127 HA ALA 29 HA ALA 29 89.843 -1.518 -0.528 128 1HB ALA 29 HB1 ALA 29 89.384 1.184 0.743 129 2HB ALA 29 HB2 ALA 29 88.623 -0.312 1.285 130 3HB ALA 29 HB3 ALA 29 88.289 0.311 -0.331 131 H LYS 30 HN LYS 30 92.081 1.062 0.175 132 HA LYS 30 HA LYS 30 92.025 2.193 -2.468 133 1HB LYS 30 HB2 LYS 30 92.841 3.125 -0.041 134 2HB LYS 30 HB1 LYS 30 94.383 2.700 -0.770 135 1HG LYS 30 HG2 LYS 30 93.419 4.038 -2.813 136 2HG LYS 30 HG1 LYS 30 92.414 4.779 -1.567 137 1HD LYS 30 HD2 LYS 30 94.401 5.427 -0.323 138 2HD LYS 30 HD1 LYS 30 95.428 4.627 -1.515 139 1HE LYS 30 HE2 LYS 30 95.530 6.585 -2.569 140 2HE LYS 30 HE1 LYS 30 93.847 6.326 -3.026 141 1HZ LYS 30 HZ1 LYS 30 94.766 7.741 -0.581 142 2HZ LYS 30 HZ2 LYS 30 93.156 7.514 -1.046 143 3HZ LYS 30 HZ3 LYS 30 94.177 8.485 -1.983 144 H THR 31 HN THR 31 93.672 -0.389 -0.862 145 HA THR 31 HA THR 31 95.957 -0.524 -2.544 146 HB THR 31 HB THR 31 94.592 -2.526 -0.751 147 HG1 THR 31 HG1 THR 31 95.677 -0.817 0.277 148 1HG2 THR 31 HG21 THR 31 96.485 -3.971 -0.927 149 2HG2 THR 31 HG22 THR 31 97.272 -2.870 -2.058 150 3HG2 THR 31 HG23 THR 31 95.801 -3.721 -2.532 151 H ALA 32 HN ALA 32 92.968 -2.484 -2.432 152 HA ALA 32 HA ALA 32 93.466 -3.981 -4.737 153 1HB ALA 32 HB1 ALA 32 91.379 -4.833 -4.450 154 2HB ALA 32 HB2 ALA 32 90.653 -3.250 -4.174 155 3HB ALA 32 HB3 ALA 32 91.540 -4.051 -2.878 156 H ALA 33 HN ALA 33 92.474 -0.722 -4.317 157 HA ALA 33 HA ALA 33 91.497 -0.403 -7.028 158 1HB ALA 33 HB1 ALA 33 92.132 1.878 -5.195 159 2HB ALA 33 HB2 ALA 33 90.718 0.866 -4.899 160 3HB ALA 33 HB3 ALA 33 90.870 1.744 -6.421 161 H GLN 34 HN GLN 34 94.370 0.297 -5.126 162 HA GLN 34 HA GLN 34 95.724 1.898 -7.014 163 1HB GLN 34 HB2 GLN 34 96.431 0.391 -4.567 164 2HB GLN 34 HB1 GLN 34 97.757 0.713 -5.675 165 1HG GLN 34 HG2 GLN 34 97.586 3.008 -5.418 166 2HG GLN 34 HG1 GLN 34 95.929 2.916 -4.822 167 1HE2 GLN 34 HE21 GLN 34 98.866 1.192 -3.851 168 2HE2 GLN 34 HE22 GLN 34 98.832 1.702 -2.202 169 H ASN 35 HN ASN 35 95.395 -1.561 -6.627 170 HA ASN 35 HA ASN 35 97.501 -2.465 -8.177 171 1HB ASN 35 HB2 ASN 35 95.403 -3.567 -6.811 172 2HB ASN 35 HB1 ASN 35 95.004 -3.970 -8.478 173 1HD2 ASN 35 HD21 ASN 35 96.490 -5.217 -9.695 174 2HD2 ASN 35 HD22 ASN 35 97.640 -6.241 -8.910 175 H LEU 36 HN LEU 36 94.123 -1.978 -9.236 176 HA LEU 36 HA LEU 36 94.760 -2.353 -11.987 177 1HB LEU 36 HB2 LEU 36 92.524 -2.347 -10.334 178 2HB LEU 36 HB1 LEU 36 92.254 -1.026 -11.451 179 HG LEU 36 HG LEU 36 93.132 -3.573 -12.671 180 1HD1 LEU 36 HD11 LEU 36 90.590 -4.209 -12.614 181 2HD1 LEU 36 HD12 LEU 36 90.614 -3.298 -11.104 182 3HD1 LEU 36 HD13 LEU 36 91.670 -4.695 -11.309 183 1HD2 LEU 36 HD21 LEU 36 92.186 -1.202 -13.603 184 2HD2 LEU 36 HD22 LEU 36 90.719 -2.180 -13.589 185 3HD2 LEU 36 HD23 LEU 36 92.132 -2.724 -14.493 186 H TYR 37 HN TYR 37 94.545 0.427 -9.881 187 HA TYR 37 HA TYR 37 94.512 2.256 -12.172 188 1HB TYR 37 HB2 TYR 37 93.919 2.510 -9.272 189 2HB TYR 37 HB1 TYR 37 94.508 3.940 -10.112 190 HD1 TYR 37 HD1 TYR 37 91.978 1.226 -10.598 191 HD2 TYR 37 HD2 TYR 37 92.934 5.350 -11.032 192 HE1 TYR 37 HE1 TYR 37 89.715 1.655 -11.459 193 HE2 TYR 37 HE2 TYR 37 90.672 5.790 -11.892 194 HH TYR 37 HH TYR 37 88.478 4.835 -11.879 195 H GLU 38 HN GLU 38 96.860 0.692 -10.457 196 HA GLU 38 HA GLU 38 98.813 2.731 -11.198 197 1HB GLU 38 HB2 GLU 38 98.017 2.286 -8.518 198 2HB GLU 38 HB1 GLU 38 99.644 1.642 -8.689 199 1HG GLU 38 HG2 GLU 38 99.991 3.977 -9.925 200 2HG GLU 38 HG1 GLU 38 98.672 4.428 -8.847 201 H LYS 39 HN LYS 39 98.727 -0.395 -9.487 202 HA LYS 39 HA LYS 39 101.195 -1.306 -10.387 203 1HB LYS 39 HB2 LYS 39 98.738 -2.882 -9.620 204 2HB LYS 39 HB1 LYS 39 100.324 -3.595 -9.873 205 1HG LYS 39 HG2 LYS 39 100.981 -1.701 -8.102 206 2HG LYS 39 HG1 LYS 39 99.305 -1.979 -7.624 207 1HD LYS 39 HD2 LYS 39 100.181 -3.643 -6.384 208 2HD LYS 39 HD1 LYS 39 100.195 -4.528 -7.911 209 1HE LYS 39 HE2 LYS 39 102.448 -4.386 -8.128 210 2HE LYS 39 HE1 LYS 39 102.529 -2.797 -7.370 211 1HZ LYS 39 HZ1 LYS 39 102.791 -3.685 -5.333 212 2HZ LYS 39 HZ2 LYS 39 103.367 -5.023 -6.194 213 3HZ LYS 39 HZ3 LYS 39 101.771 -5.000 -5.634 214 H THR 40 HN THR 40 97.987 -1.760 -11.820 215 HA THR 40 HA THR 40 99.013 -3.292 -14.019 216 HB THR 40 HB THR 40 96.302 -2.009 -13.637 217 HG1 THR 40 HG1 THR 40 96.662 -3.488 -12.011 218 1HG2 THR 40 HG21 THR 40 97.167 -2.969 -15.959 219 2HG2 THR 40 HG22 THR 40 95.503 -3.144 -15.405 220 3HG2 THR 40 HG23 THR 40 96.640 -4.476 -15.210 221 H TYR 41 HN TYR 41 98.301 0.047 -13.347 222 HA TYR 41 HA TYR 41 98.167 0.996 -15.999 223 1HB TYR 41 HB2 TYR 41 97.883 2.063 -13.448 224 2HB TYR 41 HB1 TYR 41 99.286 2.900 -14.102 225 HD1 TYR 41 HD1 TYR 41 96.126 1.721 -15.707 226 HD2 TYR 41 HD2 TYR 41 98.624 5.026 -14.734 227 HE1 TYR 41 HE1 TYR 41 94.633 3.213 -16.968 228 HE2 TYR 41 HE2 TYR 41 97.137 6.527 -15.993 229 HH TYR 41 HH TYR 41 94.105 5.833 -16.835 230 H LEU 42 HN LEU 42 100.817 0.177 -13.904 231 HA LEU 42 HA LEU 42 102.862 1.626 -15.199 232 1HB LEU 42 HB2 LEU 42 102.790 -0.781 -13.422 233 2HB LEU 42 HB1 LEU 42 104.294 -0.319 -14.196 234 HG LEU 42 HG LEU 42 103.031 1.947 -12.889 235 1HD1 LEU 42 HD11 LEU 42 102.502 -0.323 -11.515 236 2HD1 LEU 42 HD12 LEU 42 102.737 1.259 -10.772 237 3HD1 LEU 42 HD13 LEU 42 104.075 0.112 -10.848 238 1HD2 LEU 42 HD21 LEU 42 105.299 2.008 -11.791 239 2HD2 LEU 42 HD22 LEU 42 105.301 2.071 -13.555 240 3HD2 LEU 42 HD23 LEU 42 105.700 0.566 -12.726 241 HA PRO 43 HA PRO 43 103.628 -0.750 -18.830 242 1HB PRO 43 HB2 PRO 43 106.293 -0.574 -19.146 243 2HB PRO 43 HB1 PRO 43 105.232 0.830 -19.313 244 1HG PRO 43 HG2 PRO 43 106.928 0.003 -16.992 245 2HG PRO 43 HG1 PRO 43 106.687 1.617 -17.681 246 1HD PRO 43 HD2 PRO 43 105.397 0.719 -15.444 247 2HD PRO 43 HD1 PRO 43 104.729 1.947 -16.537 248 H ALA 44 HN ALA 44 103.275 -2.501 -16.657 249 HA ALA 44 HA ALA 44 103.713 -4.604 -15.913 250 1HB ALA 44 HB1 ALA 44 104.302 -4.639 -18.818 251 2HB ALA 44 HB2 ALA 44 103.081 -5.516 -17.896 252 3HB ALA 44 HB3 ALA 44 104.760 -6.055 -17.870 253 H VAL 45 HN VAL 45 105.523 -3.139 -14.767 254 HA VAL 45 HA VAL 45 108.192 -4.124 -15.421 255 HB VAL 45 HB VAL 45 107.405 -2.192 -13.237 256 1HG1 VAL 45 HG11 VAL 45 109.595 -3.360 -12.998 257 2HG1 VAL 45 HG12 VAL 45 109.730 -1.608 -13.159 258 3HG1 VAL 45 HG13 VAL 45 110.087 -2.650 -14.537 259 1HG2 VAL 45 HG21 VAL 45 107.455 -0.466 -14.681 260 2HG2 VAL 45 HG22 VAL 45 107.078 -1.704 -15.880 261 3HG2 VAL 45 HG23 VAL 45 108.746 -1.177 -15.650 262 H ASP 46 HN ASP 46 106.206 -3.855 -12.464 263 HA ASP 46 HA ASP 46 107.787 -5.902 -11.170 264 1HB ASP 46 HB2 ASP 46 105.293 -4.489 -10.220 265 2HB ASP 46 HB1 ASP 46 106.342 -5.506 -9.240 266 H GLU 47 HN GLU 47 105.501 -6.099 -13.452 267 HA GLU 47 HA GLU 47 103.766 -8.103 -12.355 268 1HB GLU 47 HB2 GLU 47 104.245 -6.961 -15.090 269 2HB GLU 47 HB1 GLU 47 103.222 -8.376 -14.879 270 1HG GLU 47 HG2 GLU 47 102.110 -6.785 -13.048 271 2HG GLU 47 HG1 GLU 47 102.739 -5.555 -14.144 272 H LYS 48 HN LYS 48 106.344 -8.943 -11.872 273 HA LYS 48 HA LYS 48 107.859 -10.600 -12.183 274 1HB LYS 48 HB2 LYS 48 105.455 -11.661 -11.864 275 2HB LYS 48 HB1 LYS 48 105.762 -12.255 -13.491 276 1HG LYS 48 HG2 LYS 48 106.422 -13.912 -11.864 277 2HG LYS 48 HG1 LYS 48 107.845 -13.292 -12.701 278 1HD LYS 48 HD2 LYS 48 108.743 -12.831 -10.717 279 2HD LYS 48 HD1 LYS 48 107.478 -11.626 -10.472 280 1HE LYS 48 HE2 LYS 48 106.122 -13.843 -9.806 281 2HE LYS 48 HE1 LYS 48 107.751 -14.355 -9.367 282 1HZ LYS 48 HZ1 LYS 48 106.888 -11.710 -8.476 283 2HZ LYS 48 HZ2 LYS 48 107.877 -12.842 -7.702 284 3HZ LYS 48 HZ3 LYS 48 106.198 -13.049 -7.703 285 H LEU 49 HN LEU 49 107.349 -8.691 -14.435 286 HA LEU 49 HA LEU 49 108.361 -10.363 -16.653 287 1HB LEU 49 HB2 LEU 49 106.516 -8.025 -16.554 288 2HB LEU 49 HB1 LEU 49 107.559 -8.196 -17.955 289 HG LEU 49 HG LEU 49 105.658 -10.339 -17.007 290 1HD1 LEU 49 HD11 LEU 49 104.079 -8.926 -17.753 291 2HD1 LEU 49 HD12 LEU 49 104.627 -9.453 -19.344 292 3HD1 LEU 49 HD13 LEU 49 105.232 -7.947 -18.658 293 1HD2 LEU 49 HD21 LEU 49 107.803 -10.331 -18.878 294 2HD2 LEU 49 HD22 LEU 49 106.288 -10.498 -19.765 295 3HD2 LEU 49 HD23 LEU 49 106.688 -11.638 -18.481 296 H ARG 50 HN ARG 50 108.675 -7.384 -14.833 297 HA ARG 50 HA ARG 50 111.416 -7.100 -15.871 298 1HB ARG 50 HB2 ARG 50 109.338 -5.345 -16.452 299 2HB ARG 50 HB1 ARG 50 110.204 -4.553 -15.144 300 1HG ARG 50 HG2 ARG 50 112.139 -4.331 -16.378 301 2HG ARG 50 HG1 ARG 50 111.714 -5.648 -17.474 302 1HD ARG 50 HD2 ARG 50 110.069 -4.307 -18.565 303 2HD ARG 50 HD1 ARG 50 110.218 -3.038 -17.350 304 HE ARG 50 HE ARG 50 111.910 -3.458 -19.628 305 1HH1 ARG 50 HH11 ARG 50 111.753 -2.122 -16.408 306 2HH1 ARG 50 HH12 ARG 50 113.035 -0.990 -16.681 307 1HH2 ARG 50 HH21 ARG 50 113.597 -1.969 -19.988 308 2HH2 ARG 50 HH22 ARG 50 114.082 -0.903 -18.713 309 H ASP 51 HN ASP 51 109.794 -7.958 -13.296 310 HA ASP 51 HA ASP 51 110.549 -6.244 -11.215 311 1HB ASP 51 HB2 ASP 51 109.287 -8.787 -11.472 312 2HB ASP 51 HB1 ASP 51 110.562 -8.938 -10.267 313 H LEU 52 HN LEU 52 112.150 -9.153 -12.490 314 HA LEU 52 HA LEU 52 114.299 -9.335 -10.792 315 1HB LEU 52 HB2 LEU 52 115.554 -10.275 -12.742 316 2HB LEU 52 HB1 LEU 52 113.985 -11.004 -12.458 317 HG LEU 52 HG LEU 52 113.284 -9.123 -14.258 318 1HD1 LEU 52 HD11 LEU 52 115.065 -9.279 -16.060 319 2HD1 LEU 52 HD12 LEU 52 116.165 -9.793 -14.782 320 3HD1 LEU 52 HD13 LEU 52 115.402 -8.205 -14.703 321 1HD2 LEU 52 HD21 LEU 52 114.316 -11.914 -14.690 322 2HD2 LEU 52 HD22 LEU 52 113.574 -10.962 -15.977 323 3HD2 LEU 52 HD23 LEU 52 112.643 -11.375 -14.537 324 H TYR 53 HN TYR 53 113.762 -7.066 -13.394 325 HA TYR 53 HA TYR 53 116.400 -5.999 -13.495 326 1HB TYR 53 HB2 TYR 53 114.250 -5.768 -15.091 327 2HB TYR 53 HB1 TYR 53 114.083 -4.268 -14.182 328 HD1 TYR 53 HD1 TYR 53 115.587 -2.439 -14.532 329 HD2 TYR 53 HD2 TYR 53 116.272 -6.171 -16.460 330 HE1 TYR 53 HE1 TYR 53 117.288 -1.383 -15.962 331 HE2 TYR 53 HE2 TYR 53 117.972 -5.125 -17.896 332 HH TYR 53 HH TYR 53 118.291 -1.874 -18.302 333 H SER 54 HN SER 54 113.384 -4.746 -12.084 334 HA SER 54 HA SER 54 114.796 -2.698 -10.618 335 1HB SER 54 HB2 SER 54 112.494 -2.413 -11.639 336 2HB SER 54 HB1 SER 54 111.882 -3.445 -10.348 337 HG SER 54 HG SER 54 112.181 -1.881 -8.935 338 H LYS 55 HN LYS 55 115.008 -5.725 -10.052 339 HA LYS 55 HA LYS 55 114.468 -5.561 -7.163 340 1HB LYS 55 HB2 LYS 55 113.308 -7.381 -8.554 341 2HB LYS 55 HB1 LYS 55 114.895 -8.126 -8.685 342 1HG LYS 55 HG2 LYS 55 113.983 -9.229 -6.884 343 2HG LYS 55 HG1 LYS 55 114.909 -7.950 -6.097 344 1HD LYS 55 HD2 LYS 55 112.720 -8.121 -5.077 345 2HD LYS 55 HD1 LYS 55 112.853 -6.593 -5.951 346 1HE LYS 55 HE2 LYS 55 111.472 -7.332 -7.687 347 2HE LYS 55 HE1 LYS 55 111.670 -9.026 -7.243 348 1HZ LYS 55 HZ1 LYS 55 110.065 -8.898 -5.693 349 2HZ LYS 55 HZ2 LYS 55 109.533 -7.580 -6.608 350 3HZ LYS 55 HZ3 LYS 55 110.468 -7.322 -5.222 351 H SER 56 HN SER 56 116.844 -6.023 -9.626 352 HA SER 56 HA SER 56 118.887 -6.697 -7.620 353 1HB SER 56 HB2 SER 56 119.013 -6.810 -10.644 354 2HB SER 56 HB1 SER 56 120.319 -7.267 -9.552 355 HG SER 56 HG SER 56 119.159 -9.098 -10.169 356 H THR 57 HN THR 57 117.829 -4.260 -9.864 357 HA THR 57 HA THR 57 120.223 -2.652 -9.340 358 HB THR 57 HB THR 57 119.559 -1.287 -11.217 359 HG1 THR 57 HG1 THR 57 117.506 -1.129 -11.556 360 1HG2 THR 57 HG21 THR 57 120.698 -2.980 -12.211 361 2HG2 THR 57 HG22 THR 57 119.126 -3.195 -12.981 362 3HG2 THR 57 HG23 THR 57 119.592 -4.222 -11.624 363 H ALA 58 HN ALA 58 116.782 -2.792 -8.759 364 HA ALA 58 HA ALA 58 116.750 -0.081 -7.674 365 1HB ALA 58 HB1 ALA 58 114.828 -1.653 -8.935 366 2HB ALA 58 HB2 ALA 58 114.581 -0.084 -8.167 367 3HB ALA 58 HB3 ALA 58 114.310 -1.566 -7.251 368 H ALA 59 HN ALA 59 116.358 -3.426 -6.592 369 HA ALA 59 HA ALA 59 115.849 -2.786 -3.879 370 1HB ALA 59 HB1 ALA 59 117.200 -5.339 -4.591 371 2HB ALA 59 HB2 ALA 59 115.580 -5.038 -5.221 372 3HB ALA 59 HB3 ALA 59 115.863 -5.039 -3.480 373 H MET 60 HN MET 60 118.646 -2.586 -5.781 374 HA MET 60 HA MET 60 120.435 -2.750 -3.463 375 1HB MET 60 HB2 MET 60 120.866 -2.816 -6.434 376 2HB MET 60 HB1 MET 60 122.194 -2.412 -5.354 377 1HG MET 60 HG2 MET 60 121.450 -4.614 -4.138 378 2HG MET 60 HG1 MET 60 120.756 -4.987 -5.715 379 1HE MET 60 HE1 MET 60 124.836 -5.749 -4.331 380 2HE MET 60 HE2 MET 60 123.439 -6.825 -4.363 381 3HE MET 60 HE3 MET 60 123.373 -5.319 -3.448 382 H SER 61 HN SER 61 119.151 -0.558 -5.863 383 HA SER 61 HA SER 61 120.859 1.638 -5.126 384 1HB SER 61 HB2 SER 61 118.606 1.215 -7.031 385 2HB SER 61 HB1 SER 61 118.928 2.867 -6.505 386 HG SER 61 HG SER 61 120.402 1.210 -8.142 387 H THR 62 HN THR 62 117.887 0.305 -4.015 388 HA THR 62 HA THR 62 116.926 2.716 -2.765 389 HB THR 62 HB THR 62 116.053 -0.152 -2.375 390 HG1 THR 62 HG1 THR 62 114.679 0.176 -3.987 391 1HG2 THR 62 HG21 THR 62 115.173 1.031 -0.556 392 2HG2 THR 62 HG22 THR 62 113.873 0.963 -1.746 393 3HG2 THR 62 HG23 THR 62 114.809 2.446 -1.545 394 H TYR 63 HN TYR 63 119.513 0.860 -2.050 395 HA TYR 63 HA TYR 63 119.217 0.374 0.721 396 1HB TYR 63 HB2 TYR 63 121.072 -0.166 -1.290 397 2HB TYR 63 HB1 TYR 63 121.936 0.833 -0.131 398 HD1 TYR 63 HD1 TYR 63 121.810 0.100 2.355 399 HD2 TYR 63 HD2 TYR 63 120.845 -2.456 -0.908 400 HE1 TYR 63 HE1 TYR 63 122.136 -1.860 3.802 401 HE2 TYR 63 HE2 TYR 63 121.167 -4.424 0.532 402 HH TYR 63 HH TYR 63 122.443 -4.982 2.629 403 H THR 64 HN THR 64 120.179 3.106 -1.196 404 HA THR 64 HA THR 64 121.589 4.645 0.620 405 HB THR 64 HB THR 64 120.784 6.609 -0.636 406 HG1 THR 64 HG1 THR 64 118.961 4.732 -1.703 407 1HG2 THR 64 HG21 THR 64 121.633 4.197 -2.167 408 2HG2 THR 64 HG22 THR 64 122.519 5.683 -1.823 409 3HG2 THR 64 HG23 THR 64 121.219 5.687 -3.015 410 H GLY 65 HN GLY 65 118.265 3.809 0.516 411 1HA GLY 65 HA2 GLY 65 117.494 5.807 2.495 412 2HA GLY 65 HA1 GLY 65 116.428 4.647 1.714 413 H ILE 66 HN ILE 66 118.429 2.467 2.321 414 HA ILE 66 HA ILE 66 117.436 1.914 5.003 415 HB ILE 66 HB ILE 66 119.086 0.051 3.313 416 1HG1 ILE 66 HG12 ILE 66 117.144 0.831 1.994 417 2HG1 ILE 66 HG11 ILE 66 117.018 -0.874 2.414 418 1HG2 ILE 66 HG21 ILE 66 118.845 -0.598 5.619 419 2HG2 ILE 66 HG22 ILE 66 117.872 -1.667 4.608 420 3HG2 ILE 66 HG23 ILE 66 117.097 -0.381 5.533 421 1HD1 ILE 66 HD11 ILE 66 114.941 0.626 2.623 422 2HD1 ILE 66 HD12 ILE 66 115.701 1.207 4.106 423 3HD1 ILE 66 HD13 ILE 66 115.308 -0.504 3.926 424 H PHE 67 HN PHE 67 120.173 3.219 3.594 425 HA PHE 67 HA PHE 67 122.232 2.147 5.194 426 1HB PHE 67 HB2 PHE 67 122.045 3.825 3.038 427 2HB PHE 67 HB1 PHE 67 122.548 4.924 4.315 428 HD1 PHE 67 HD1 PHE 67 123.672 2.732 1.843 429 HD2 PHE 67 HD2 PHE 67 124.537 4.013 5.807 430 HE1 PHE 67 HE1 PHE 67 125.992 1.954 1.584 431 HE2 PHE 67 HE2 PHE 67 126.859 3.240 5.555 432 HZ PHE 67 HZ PHE 67 127.590 2.209 3.441 433 H THR 68 HN THR 68 120.261 5.065 5.467 434 HA THR 68 HA THR 68 121.403 6.280 7.650 435 HB THR 68 HB THR 68 118.448 6.268 7.643 436 HG1 THR 68 HG1 THR 68 118.367 6.326 5.548 437 1HG2 THR 68 HG21 THR 68 119.982 7.949 8.792 438 2HG2 THR 68 HG22 THR 68 118.634 8.577 7.846 439 3HG2 THR 68 HG23 THR 68 120.265 8.599 7.177 440 H ASP 69 HN ASP 69 119.520 3.359 7.590 441 HA ASP 69 HA ASP 69 118.589 3.263 10.206 442 1HB ASP 69 HB2 ASP 69 119.355 1.162 8.216 443 2HB ASP 69 HB1 ASP 69 118.954 0.689 9.863 444 H GLN 70 HN GLN 70 121.786 2.705 8.944 445 HA GLN 70 HA GLN 70 122.754 1.703 11.492 446 1HB GLN 70 HB2 GLN 70 123.543 1.324 8.852 447 2HB GLN 70 HB1 GLN 70 124.812 2.330 9.537 448 1HG GLN 70 HG2 GLN 70 125.588 0.204 9.944 449 2HG GLN 70 HG1 GLN 70 124.801 0.614 11.468 450 1HE2 GLN 70 HE21 GLN 70 124.204 -1.353 12.164 451 2HE2 GLN 70 HE22 GLN 70 123.136 -2.414 11.314 452 H VAL 71 HN VAL 71 122.067 4.665 10.297 453 HA VAL 71 HA VAL 71 124.326 6.039 11.571 454 HB VAL 71 HB VAL 71 122.079 7.151 9.883 455 1HG1 VAL 71 HG11 VAL 71 123.993 8.429 11.587 456 2HG1 VAL 71 HG12 VAL 71 122.716 9.153 10.611 457 3HG1 VAL 71 HG13 VAL 71 124.309 8.873 9.910 458 1HG2 VAL 71 HG21 VAL 71 124.037 7.495 8.253 459 2HG2 VAL 71 HG22 VAL 71 123.360 5.875 8.412 460 3HG2 VAL 71 HG23 VAL 71 124.871 6.283 9.224 461 H LEU 72 HN LEU 72 120.800 6.602 11.374 462 HA LEU 72 HA LEU 72 120.550 8.155 13.639 463 1HB LEU 72 HB2 LEU 72 118.176 7.231 13.714 464 2HB LEU 72 HB1 LEU 72 118.679 8.034 12.241 465 HG LEU 72 HG LEU 72 119.291 5.325 11.845 466 1HD1 LEU 72 HD11 LEU 72 117.487 4.049 12.476 467 2HD1 LEU 72 HD12 LEU 72 116.422 5.446 12.652 468 3HD1 LEU 72 HD13 LEU 72 117.657 5.118 13.868 469 1HD2 LEU 72 HD21 LEU 72 116.757 6.462 10.797 470 2HD2 LEU 72 HD22 LEU 72 118.039 5.587 9.960 471 3HD2 LEU 72 HD23 LEU 72 118.265 7.283 10.391 472 H SER 73 HN SER 73 120.902 4.709 13.342 473 HA SER 73 HA SER 73 120.115 4.002 15.984 474 1HB SER 73 HB2 SER 73 121.646 2.637 13.807 475 2HB SER 73 HB1 SER 73 121.542 1.922 15.414 476 HG SER 73 HG SER 73 119.342 2.650 13.773 477 H VAL 74 HN VAL 74 123.027 5.162 14.535 478 HA VAL 74 HA VAL 74 124.566 4.630 16.973 479 HB VAL 74 HB VAL 74 125.576 5.678 14.328 480 1HG1 VAL 74 HG11 VAL 74 126.772 5.409 16.898 481 2HG1 VAL 74 HG12 VAL 74 127.499 5.976 15.395 482 3HG1 VAL 74 HG13 VAL 74 127.538 4.260 15.801 483 1HG2 VAL 74 HG21 VAL 74 125.932 2.855 15.265 484 2HG2 VAL 74 HG22 VAL 74 126.093 3.520 13.639 485 3HG2 VAL 74 HG23 VAL 74 124.495 3.330 14.360 486 H LEU 75 HN LEU 75 123.001 7.140 15.207 487 HA LEU 75 HA LEU 75 124.570 9.318 16.127 488 1HB LEU 75 HB2 LEU 75 121.729 9.170 15.133 489 2HB LEU 75 HB1 LEU 75 122.534 10.677 15.527 490 HG LEU 75 HG LEU 75 123.527 8.741 13.442 491 1HD1 LEU 75 HD11 LEU 75 121.636 11.045 13.277 492 2HD1 LEU 75 HD12 LEU 75 121.561 9.472 12.482 493 3HD1 LEU 75 HD13 LEU 75 122.711 10.688 11.924 494 1HD2 LEU 75 HD21 LEU 75 124.235 11.639 13.809 495 2HD2 LEU 75 HD22 LEU 75 125.037 10.436 12.800 496 3HD2 LEU 75 HD23 LEU 75 125.153 10.332 14.556 497 H LYS 76 HN LYS 76 121.527 7.880 17.287 498 HA LYS 76 HA LYS 76 122.038 9.154 19.889 499 1HB LYS 76 HB2 LYS 76 119.866 9.540 18.028 500 2HB LYS 76 HB1 LYS 76 119.273 8.997 19.591 501 1HG LYS 76 HG2 LYS 76 119.569 11.010 20.478 502 2HG LYS 76 HG1 LYS 76 121.248 11.059 19.937 503 1HD LYS 76 HD2 LYS 76 119.147 11.507 17.893 504 2HD LYS 76 HD1 LYS 76 119.409 12.790 19.076 505 1HE LYS 76 HE2 LYS 76 121.747 11.570 17.676 506 2HE LYS 76 HE1 LYS 76 120.754 12.757 16.833 507 1HZ LYS 76 HZ1 LYS 76 121.135 14.052 19.087 508 2HZ LYS 76 HZ2 LYS 76 122.236 14.142 17.806 509 3HZ LYS 76 HZ3 LYS 76 122.542 13.112 19.112 510 H GLY 77 HN GLY 77 119.597 7.043 18.447 511 1HA GLY 77 HA2 GLY 77 120.386 4.652 19.688 512 2HA GLY 77 HA1 GLY 77 119.188 5.441 20.709 513 H GLU 78 HN GLU 78 119.581 5.124 17.209 514 HA GLU 78 HA GLU 78 118.302 4.125 15.619 515 1HB GLU 78 HB2 GLU 78 117.814 2.535 17.632 516 2HB GLU 78 HB1 GLU 78 116.239 3.315 17.606 517 1HG GLU 78 HG2 GLU 78 116.349 2.720 15.050 518 2HG GLU 78 HG1 GLU 78 117.498 1.506 15.609 519 H GLU 79 HN GLU 79 118.152 6.615 15.508 520 HA GLU 79 HA GLU 79 115.495 7.642 16.079 521 1HB GLU 79 HB2 GLU 79 117.451 9.076 16.443 522 2HB GLU 79 HB1 GLU 79 117.867 8.953 14.739 523 1HG GLU 79 HG2 GLU 79 116.323 10.459 14.111 524 2HG GLU 79 HG1 GLU 79 115.150 9.917 15.311 Start of MODEL 7 1 H THR 13 H THR 13 78.338 3.877 15.144 2 HA THR 13 HA THR 13 80.306 5.310 16.781 3 HB THR 13 HB THR 13 81.559 5.311 14.507 4 HG1 THR 13 HG1 THR 13 80.267 4.272 13.143 5 1HG2 THR 13 HG21 THR 13 82.895 4.199 15.908 6 2HG2 THR 13 HG22 THR 13 82.272 2.766 15.091 7 3HG2 THR 13 HG23 THR 13 81.563 3.288 16.619 8 H PHE 14 HN PHE 14 80.126 7.443 16.550 9 HA PHE 14 HA PHE 14 78.089 8.484 14.738 10 1HB PHE 14 HB2 PHE 14 78.621 9.095 17.305 11 2HB PHE 14 HB1 PHE 14 79.612 10.314 16.510 12 HD1 PHE 14 HD1 PHE 14 78.627 12.140 15.335 13 HD2 PHE 14 HD2 PHE 14 76.192 9.067 16.989 14 HE1 PHE 14 HE1 PHE 14 76.631 13.530 14.967 15 HE2 PHE 14 HE2 PHE 14 74.191 10.452 16.627 16 HZ PHE 14 HZ PHE 14 74.409 12.686 15.614 17 H LEU 15 HN LEU 15 81.565 8.748 15.328 18 HA LEU 15 HA LEU 15 81.815 10.478 12.954 19 1HB LEU 15 HB2 LEU 15 83.865 9.910 15.095 20 2HB LEU 15 HB1 LEU 15 84.004 11.083 13.800 21 HG LEU 15 HG LEU 15 81.844 11.257 15.889 22 1HD1 LEU 15 HD11 LEU 15 83.210 12.768 17.141 23 2HD1 LEU 15 HD12 LEU 15 84.505 12.669 15.947 24 3HD1 LEU 15 HD13 LEU 15 84.104 11.263 16.934 25 1HD2 LEU 15 HD21 LEU 15 81.711 12.496 13.666 26 2HD2 LEU 15 HD22 LEU 15 83.072 13.454 14.250 27 3HD2 LEU 15 HD23 LEU 15 81.546 13.460 15.134 28 H THR 16 HN THR 16 83.172 7.552 14.451 29 HA THR 16 HA THR 16 85.091 6.894 12.587 30 HB THR 16 HB THR 16 83.283 4.845 13.860 31 HG1 THR 16 HG1 THR 16 84.711 5.001 15.654 32 1HG2 THR 16 HG21 THR 16 86.110 4.336 13.970 33 2HG2 THR 16 HG22 THR 16 85.564 4.559 12.308 34 3HG2 THR 16 HG23 THR 16 84.806 3.337 13.328 35 H GLN 17 HN GLN 17 81.607 6.471 12.373 36 HA GLN 17 HA GLN 17 81.705 4.864 10.007 37 1HB GLN 17 HB2 GLN 17 79.706 5.758 11.845 38 2HB GLN 17 HB1 GLN 17 79.182 6.152 10.214 39 1HG GLN 17 HG2 GLN 17 80.145 3.563 10.010 40 2HG GLN 17 HG1 GLN 17 79.300 3.596 11.556 41 1HE2 GLN 17 HE21 GLN 17 77.236 5.245 11.141 42 2HE2 GLN 17 HE22 GLN 17 76.194 4.634 9.905 43 H VAL 18 HN VAL 18 82.321 8.101 10.521 44 HA VAL 18 HA VAL 18 81.488 8.836 7.785 45 HB VAL 18 HB VAL 18 82.168 10.710 10.055 46 1HG1 VAL 18 HG11 VAL 18 81.514 11.052 7.209 47 2HG1 VAL 18 HG12 VAL 18 82.410 12.104 8.305 48 3HG1 VAL 18 HG13 VAL 18 80.647 12.119 8.313 49 1HG2 VAL 18 HG21 VAL 18 80.000 10.799 10.701 50 2HG2 VAL 18 HG22 VAL 18 79.977 9.157 10.057 51 3HG2 VAL 18 HG23 VAL 18 79.388 10.498 9.075 52 H LYS 19 HN LYS 19 84.131 8.858 10.109 53 HA LYS 19 HA LYS 19 86.009 10.234 8.485 54 1HB LYS 19 HB2 LYS 19 86.009 8.749 11.014 55 2HB LYS 19 HB1 LYS 19 87.515 8.615 10.118 56 1HG LYS 19 HG2 LYS 19 87.817 10.447 11.539 57 2HG LYS 19 HG1 LYS 19 87.468 11.153 9.960 58 1HD LYS 19 HD2 LYS 19 85.025 10.699 11.410 59 2HD LYS 19 HD1 LYS 19 86.148 11.643 12.390 60 1HE LYS 19 HE2 LYS 19 85.314 13.390 11.251 61 2HE LYS 19 HE1 LYS 19 86.416 12.858 9.981 62 1HZ LYS 19 HZ1 LYS 19 84.518 11.466 9.144 63 2HZ LYS 19 HZ2 LYS 19 84.320 13.137 8.980 64 3HZ LYS 19 HZ3 LYS 19 83.514 12.309 10.214 65 H GLU 20 HN GLU 20 85.881 6.797 9.387 66 HA GLU 20 HA GLU 20 87.718 5.909 7.474 67 1HB GLU 20 HB2 GLU 20 85.530 4.566 9.026 68 2HB GLU 20 HB1 GLU 20 86.399 3.675 7.784 69 1HG GLU 20 HG2 GLU 20 87.921 5.134 9.892 70 2HG GLU 20 HG1 GLU 20 87.181 3.576 10.259 71 H SER 21 HN SER 21 84.439 6.896 7.181 72 HA SER 21 HA SER 21 83.857 5.477 4.766 73 1HB SER 21 HB2 SER 21 82.431 6.920 6.669 74 2HB SER 21 HB1 SER 21 82.309 7.898 5.209 75 HG SER 21 HG SER 21 80.851 6.521 4.598 76 H LEU 22 HN LEU 22 84.442 8.915 5.498 77 HA LEU 22 HA LEU 22 84.633 9.746 2.815 78 1HB LEU 22 HB2 LEU 22 84.558 11.013 5.223 79 2HB LEU 22 HB1 LEU 22 86.245 11.221 4.797 80 HG LEU 22 HG LEU 22 84.998 13.152 4.080 81 1HD1 LEU 22 HD11 LEU 22 85.317 11.937 1.437 82 2HD1 LEU 22 HD12 LEU 22 86.706 11.735 2.503 83 3HD1 LEU 22 HD13 LEU 22 86.099 13.351 2.142 84 1HD2 LEU 22 HD21 LEU 22 82.788 12.466 3.855 85 2HD2 LEU 22 HD22 LEU 22 83.210 11.115 2.804 86 3HD2 LEU 22 HD23 LEU 22 83.288 12.766 2.191 87 H SER 23 HN SER 23 86.960 8.460 5.090 88 HA SER 23 HA SER 23 89.273 9.039 3.537 89 1HB SER 23 HB2 SER 23 88.869 6.975 5.713 90 2HB SER 23 HB1 SER 23 90.428 7.481 5.064 91 H SER 24 HN SER 24 87.225 6.191 3.920 92 HA SER 24 HA SER 24 88.734 4.499 2.232 93 1HB SER 24 HB2 SER 24 85.840 4.451 3.080 94 2HB SER 24 HB1 SER 24 86.553 3.211 2.051 95 HG SER 24 HG SER 24 87.445 3.926 4.650 96 H TYR 25 HN TYR 25 86.255 6.902 1.656 97 HA TYR 25 HA TYR 25 85.501 6.244 -0.944 98 1HB TYR 25 HB2 TYR 25 84.979 8.232 0.899 99 2HB TYR 25 HB1 TYR 25 85.754 9.106 -0.411 100 HD1 TYR 25 HD1 TYR 25 84.818 8.017 -2.836 101 HD2 TYR 25 HD2 TYR 25 82.691 8.426 0.825 102 HE1 TYR 25 HE1 TYR 25 82.694 8.022 -4.076 103 HE2 TYR 25 HE2 TYR 25 80.562 8.433 -0.405 104 HH TYR 25 HH TYR 25 79.820 9.031 -2.797 105 H TRP 26 HN TRP 26 88.262 7.951 0.353 106 HA TRP 26 HA TRP 26 89.335 8.470 -2.324 107 1HB TRP 26 HB2 TRP 26 90.144 9.402 0.434 108 2HB TRP 26 HB1 TRP 26 91.128 9.697 -0.997 109 HD1 TRP 26 HD1 TRP 26 87.349 10.211 -0.223 110 HE1 TRP 26 HE1 TRP 26 86.696 12.564 -1.035 111 HE3 TRP 26 HE3 TRP 26 91.894 11.750 -1.980 112 HZ2 TRP 26 HZ2 TRP 26 87.946 14.782 -2.256 113 HZ3 TRP 26 HZ3 TRP 26 92.081 14.003 -2.953 114 HH2 TRP 26 HH2 TRP 26 90.147 15.485 -3.089 115 H GLU 27 HN GLU 27 89.605 6.283 0.313 116 HA GLU 27 HA GLU 27 92.312 5.499 -0.030 117 1HB GLU 27 HB2 GLU 27 90.588 5.019 1.901 118 2HB GLU 27 HB1 GLU 27 90.239 3.581 0.953 119 1HG GLU 27 HG2 GLU 27 93.072 3.905 1.227 120 2HG GLU 27 HG1 GLU 27 92.299 3.965 2.810 121 H SER 28 HN SER 28 89.274 4.403 -1.455 122 HA SER 28 HA SER 28 90.300 2.118 -2.749 123 1HB SER 28 HB2 SER 28 87.996 2.111 -2.700 124 2HB SER 28 HB1 SER 28 87.867 3.825 -3.093 125 HG SER 28 HG SER 28 88.349 3.347 -5.219 126 H ALA 29 HN ALA 29 90.095 5.507 -3.682 127 HA ALA 29 HA ALA 29 90.888 5.214 -6.370 128 1HB ALA 29 HB1 ALA 29 89.974 7.305 -5.763 129 2HB ALA 29 HB2 ALA 29 91.680 7.621 -6.084 130 3HB ALA 29 HB3 ALA 29 91.105 7.498 -4.422 131 H LYS 30 HN LYS 30 92.615 5.461 -3.343 132 HA LYS 30 HA LYS 30 95.226 5.539 -4.577 133 1HB LYS 30 HB2 LYS 30 94.153 6.026 -1.988 134 2HB LYS 30 HB1 LYS 30 95.354 4.753 -1.828 135 1HG LYS 30 HG2 LYS 30 96.876 6.303 -3.202 136 2HG LYS 30 HG1 LYS 30 95.710 7.563 -2.792 137 1HD LYS 30 HD2 LYS 30 96.460 5.989 -0.473 138 2HD LYS 30 HD1 LYS 30 97.864 6.726 -1.250 139 1HE LYS 30 HE2 LYS 30 97.120 8.309 0.322 140 2HE LYS 30 HE1 LYS 30 96.547 8.895 -1.239 141 1HZ LYS 30 HZ1 LYS 30 95.019 7.765 0.996 142 2HZ LYS 30 HZ2 LYS 30 94.431 7.552 -0.575 143 3HZ LYS 30 HZ3 LYS 30 94.678 9.111 0.031 144 H THR 31 HN THR 31 92.977 3.134 -3.504 145 HA THR 31 HA THR 31 94.849 1.009 -3.171 146 HB THR 31 HB THR 31 91.866 1.011 -3.644 147 HG1 THR 31 HG1 THR 31 92.621 1.944 -1.664 148 1HG2 THR 31 HG21 THR 31 93.141 -1.278 -2.313 149 2HG2 THR 31 HG22 THR 31 93.363 -1.160 -4.059 150 3HG2 THR 31 HG23 THR 31 91.737 -1.211 -3.378 151 H ALA 32 HN ALA 32 92.711 2.073 -5.791 152 HA ALA 32 HA ALA 32 93.170 -0.003 -7.592 153 1HB ALA 32 HB1 ALA 32 91.459 1.828 -7.806 154 2HB ALA 32 HB2 ALA 32 92.333 1.441 -9.289 155 3HB ALA 32 HB3 ALA 32 92.760 2.880 -8.364 156 H ALA 33 HN ALA 33 95.200 2.548 -6.532 157 HA ALA 33 HA ALA 33 97.023 2.376 -8.784 158 1HB ALA 33 HB1 ALA 33 97.979 3.741 -6.378 159 2HB ALA 33 HB2 ALA 33 96.450 4.364 -6.997 160 3HB ALA 33 HB3 ALA 33 97.871 4.315 -8.041 161 H GLN 34 HN GLN 34 96.693 1.127 -5.542 162 HA GLN 34 HA GLN 34 99.373 0.173 -5.282 163 1HB GLN 34 HB2 GLN 34 96.872 0.037 -3.747 164 2HB GLN 34 HB1 GLN 34 97.884 -1.392 -3.588 165 1HG GLN 34 HG2 GLN 34 98.766 -0.180 -1.905 166 2HG GLN 34 HG1 GLN 34 99.755 0.459 -3.217 167 1HE2 GLN 34 HE21 GLN 34 99.601 2.566 -3.748 168 2HE2 GLN 34 HE22 GLN 34 98.562 3.699 -2.960 169 H ASN 35 HN ASN 35 96.367 -1.130 -6.530 170 HA ASN 35 HA ASN 35 96.877 -3.826 -6.628 171 1HB ASN 35 HB2 ASN 35 94.927 -2.181 -7.517 172 2HB ASN 35 HB1 ASN 35 95.658 -2.658 -9.048 173 1HD2 ASN 35 HD21 ASN 35 94.489 -4.047 -6.005 174 2HD2 ASN 35 HD22 ASN 35 93.827 -5.478 -6.711 175 H LEU 36 HN LEU 36 97.840 -1.344 -8.967 176 HA LEU 36 HA LEU 36 98.992 -2.941 -10.900 177 1HB LEU 36 HB2 LEU 36 98.772 -0.236 -10.232 178 2HB LEU 36 HB1 LEU 36 100.480 -0.525 -10.454 179 HG LEU 36 HG LEU 36 99.663 -1.689 -12.686 180 1HD1 LEU 36 HD11 LEU 36 97.240 -1.085 -11.832 181 2HD1 LEU 36 HD12 LEU 36 97.655 -1.033 -13.545 182 3HD1 LEU 36 HD13 LEU 36 97.611 0.457 -12.603 183 1HD2 LEU 36 HD21 LEU 36 101.016 0.526 -12.161 184 2HD2 LEU 36 HD22 LEU 36 99.549 1.276 -12.789 185 3HD2 LEU 36 HD23 LEU 36 100.457 0.142 -13.789 186 H TYR 37 HN TYR 37 100.020 -2.389 -7.690 187 HA TYR 37 HA TYR 37 102.648 -3.594 -8.283 188 1HB TYR 37 HB2 TYR 37 101.960 -1.178 -6.757 189 2HB TYR 37 HB1 TYR 37 103.092 -2.259 -5.950 190 HD1 TYR 37 HD1 TYR 37 102.524 -0.353 -9.079 191 HD2 TYR 37 HD2 TYR 37 105.354 -2.336 -6.598 192 HE1 TYR 37 HE1 TYR 37 104.351 0.543 -10.459 193 HE2 TYR 37 HE2 TYR 37 107.189 -1.443 -7.969 194 HH TYR 37 HH TYR 37 106.869 1.063 -10.066 195 H GLU 38 HN GLU 38 100.980 -2.823 -5.301 196 HA GLU 38 HA GLU 38 101.793 -4.978 -3.816 197 1HB GLU 38 HB2 GLU 38 100.248 -2.809 -3.327 198 2HB GLU 38 HB1 GLU 38 99.039 -4.085 -3.260 199 1HG GLU 38 HG2 GLU 38 99.787 -3.802 -1.059 200 2HG GLU 38 HG1 GLU 38 100.570 -5.270 -1.639 201 H LYS 39 HN LYS 39 98.928 -4.756 -5.860 202 HA LYS 39 HA LYS 39 97.853 -7.265 -5.126 203 1HB LYS 39 HB2 LYS 39 96.384 -5.715 -6.149 204 2HB LYS 39 HB1 LYS 39 97.443 -5.505 -7.527 205 1HG LYS 39 HG2 LYS 39 95.610 -6.787 -8.257 206 2HG LYS 39 HG1 LYS 39 96.983 -7.886 -8.136 207 1HD LYS 39 HD2 LYS 39 96.047 -8.293 -5.718 208 2HD LYS 39 HD1 LYS 39 94.545 -7.689 -6.422 209 1HE LYS 39 HE2 LYS 39 96.158 -10.083 -7.280 210 2HE LYS 39 HE1 LYS 39 94.523 -10.061 -6.624 211 1HZ LYS 39 HZ1 LYS 39 94.243 -8.496 -8.767 212 2HZ LYS 39 HZ2 LYS 39 93.956 -10.162 -8.778 213 3HZ LYS 39 HZ3 LYS 39 95.438 -9.557 -9.325 214 H THR 40 HN THR 40 100.560 -6.482 -7.015 215 HA THR 40 HA THR 40 102.136 -7.815 -7.951 216 HB THR 40 HB THR 40 100.729 -9.529 -6.393 217 HG1 THR 40 HG1 THR 40 102.486 -10.917 -6.730 218 1HG2 THR 40 HG21 THR 40 100.962 -11.035 -8.952 219 2HG2 THR 40 HG22 THR 40 99.467 -10.214 -8.505 220 3HG2 THR 40 HG23 THR 40 100.125 -11.476 -7.464 221 H TYR 41 HN TYR 41 98.821 -8.257 -8.975 222 HA TYR 41 HA TYR 41 98.584 -9.427 -11.239 223 1HB TYR 41 HB2 TYR 41 97.193 -7.482 -10.143 224 2HB TYR 41 HB1 TYR 41 97.887 -6.551 -11.464 225 HD1 TYR 41 HD1 TYR 41 97.873 -8.341 -13.718 226 HD2 TYR 41 HD2 TYR 41 94.979 -7.927 -10.627 227 HE1 TYR 41 HE1 TYR 41 96.137 -9.202 -15.235 228 HE2 TYR 41 HE2 TYR 41 93.237 -8.787 -12.133 229 HH TYR 41 HH TYR 41 93.526 -8.943 -15.380 230 H LEU 42 HN LEU 42 100.304 -6.309 -11.226 231 HA LEU 42 HA LEU 42 100.912 -6.245 -13.952 232 1HB LEU 42 HB2 LEU 42 102.039 -4.975 -11.514 233 2HB LEU 42 HB1 LEU 42 103.018 -4.925 -12.964 234 HG LEU 42 HG LEU 42 100.313 -3.684 -12.507 235 1HD1 LEU 42 HD11 LEU 42 102.123 -1.946 -13.765 236 2HD1 LEU 42 HD12 LEU 42 103.029 -2.763 -12.492 237 3HD1 LEU 42 HD13 LEU 42 101.549 -1.889 -12.099 238 1HD2 LEU 42 HD21 LEU 42 100.437 -2.960 -14.893 239 2HD2 LEU 42 HD22 LEU 42 100.135 -4.681 -14.674 240 3HD2 LEU 42 HD23 LEU 42 101.745 -4.118 -15.124 241 HA PRO 43 HA PRO 43 104.208 -8.990 -14.916 242 1HB PRO 43 HB2 PRO 43 106.114 -6.729 -15.238 243 2HB PRO 43 HB1 PRO 43 105.695 -8.021 -16.368 244 1HG PRO 43 HG2 PRO 43 104.758 -5.559 -16.726 245 2HG PRO 43 HG1 PRO 43 103.739 -6.974 -17.046 246 1HD PRO 43 HD2 PRO 43 103.707 -5.099 -14.721 247 2HD PRO 43 HD1 PRO 43 102.352 -5.886 -15.557 248 H ALA 44 HN ALA 44 104.524 -6.934 -12.226 249 HA ALA 44 HA ALA 44 107.117 -7.864 -11.394 250 1HB ALA 44 HB1 ALA 44 105.021 -6.285 -9.913 251 2HB ALA 44 HB2 ALA 44 106.413 -5.634 -10.778 252 3HB ALA 44 HB3 ALA 44 106.653 -6.609 -9.328 253 H VAL 45 HN VAL 45 104.610 -9.691 -11.751 254 HA VAL 45 HA VAL 45 103.843 -10.742 -9.294 255 HB VAL 45 HB VAL 45 104.225 -12.373 -11.804 256 1HG1 VAL 45 HG11 VAL 45 103.379 -14.004 -10.557 257 2HG1 VAL 45 HG12 VAL 45 101.878 -13.085 -10.461 258 3HG1 VAL 45 HG13 VAL 45 103.105 -12.903 -9.208 259 1HG2 VAL 45 HG21 VAL 45 101.771 -11.756 -12.181 260 2HG2 VAL 45 HG22 VAL 45 102.987 -10.536 -12.562 261 3HG2 VAL 45 HG23 VAL 45 102.066 -10.425 -11.063 262 H ASP 46 HN ASP 46 106.618 -11.545 -11.338 263 HA ASP 46 HA ASP 46 107.524 -13.742 -9.823 264 1HB ASP 46 HB2 ASP 46 108.357 -12.321 -12.144 265 2HB ASP 46 HB1 ASP 46 109.741 -12.432 -11.061 266 H GLU 47 HN GLU 47 107.964 -10.300 -9.463 267 HA GLU 47 HA GLU 47 110.123 -10.549 -7.579 268 1HB GLU 47 HB2 GLU 47 108.375 -8.142 -8.076 269 2HB GLU 47 HB1 GLU 47 109.966 -8.165 -7.330 270 1HG GLU 47 HG2 GLU 47 109.462 -9.006 -10.169 271 2HG GLU 47 HG1 GLU 47 109.889 -7.362 -9.701 272 H LYS 48 HN LYS 48 106.669 -9.703 -7.360 273 HA LYS 48 HA LYS 48 106.463 -9.238 -4.656 274 1HB LYS 48 HB2 LYS 48 104.620 -9.018 -6.331 275 2HB LYS 48 HB1 LYS 48 104.448 -10.768 -6.310 276 1HG LYS 48 HG2 LYS 48 104.297 -9.322 -3.723 277 2HG LYS 48 HG1 LYS 48 102.931 -9.201 -4.833 278 1HD LYS 48 HD2 LYS 48 103.578 -11.903 -4.830 279 2HD LYS 48 HD1 LYS 48 103.757 -11.408 -3.145 280 1HE LYS 48 HE2 LYS 48 101.430 -10.183 -3.795 281 2HE LYS 48 HE1 LYS 48 101.343 -11.616 -4.817 282 1HZ LYS 48 HZ1 LYS 48 100.878 -11.405 -2.052 283 2HZ LYS 48 HZ2 LYS 48 102.196 -12.435 -2.293 284 3HZ LYS 48 HZ3 LYS 48 100.718 -12.764 -3.047 285 H LEU 49 HN LEU 49 106.647 -12.292 -6.361 286 HA LEU 49 HA LEU 49 106.376 -13.810 -3.891 287 1HB LEU 49 HB2 LEU 49 105.927 -15.632 -5.196 288 2HB LEU 49 HB1 LEU 49 105.385 -14.341 -6.253 289 HG LEU 49 HG LEU 49 107.932 -14.570 -7.102 290 1HD1 LEU 49 HD11 LEU 49 108.186 -16.497 -5.441 291 2HD1 LEU 49 HD12 LEU 49 108.718 -16.769 -7.100 292 3HD1 LEU 49 HD13 LEU 49 107.173 -17.418 -6.553 293 1HD2 LEU 49 HD21 LEU 49 106.027 -14.588 -8.560 294 2HD2 LEU 49 HD22 LEU 49 105.540 -16.179 -7.978 295 3HD2 LEU 49 HD23 LEU 49 107.019 -16.001 -8.919 296 H ARG 50 HN ARG 50 108.859 -12.533 -5.904 297 HA ARG 50 HA ARG 50 110.852 -13.999 -4.322 298 1HB ARG 50 HB2 ARG 50 110.364 -14.757 -6.863 299 2HB ARG 50 HB1 ARG 50 111.560 -13.502 -7.153 300 1HG ARG 50 HG2 ARG 50 112.411 -15.212 -5.007 301 2HG ARG 50 HG1 ARG 50 112.016 -16.163 -6.440 302 1HD ARG 50 HD2 ARG 50 113.893 -13.803 -6.338 303 2HD ARG 50 HD1 ARG 50 114.367 -15.499 -6.433 304 HE ARG 50 HE ARG 50 112.747 -15.133 -8.592 305 1HH1 ARG 50 HH11 ARG 50 115.636 -13.571 -7.412 306 2HH1 ARG 50 HH12 ARG 50 116.197 -13.137 -8.992 307 1HH2 ARG 50 HH21 ARG 50 113.482 -14.563 -10.670 308 2HH2 ARG 50 HH22 ARG 50 114.974 -13.700 -10.842 309 H ASP 51 HN ASP 51 111.037 -12.031 -3.137 310 HA ASP 51 HA ASP 51 113.166 -10.410 -3.938 311 1HB ASP 51 HB2 ASP 51 110.534 -9.462 -4.785 312 2HB ASP 51 HB1 ASP 51 111.405 -8.284 -3.812 313 H LEU 52 HN LEU 52 110.172 -10.451 -2.041 314 HA LEU 52 HA LEU 52 110.775 -8.766 0.023 315 1HB LEU 52 HB2 LEU 52 109.424 -10.322 1.473 316 2HB LEU 52 HB1 LEU 52 108.643 -9.777 0.001 317 HG LEU 52 HG LEU 52 110.012 -12.244 -0.524 318 1HD1 LEU 52 HD11 LEU 52 108.809 -12.075 2.104 319 2HD1 LEU 52 HD12 LEU 52 109.778 -13.360 1.384 320 3HD1 LEU 52 HD13 LEU 52 108.038 -13.307 1.105 321 1HD2 LEU 52 HD21 LEU 52 107.923 -11.045 -1.552 322 2HD2 LEU 52 HD22 LEU 52 107.047 -11.987 -0.346 323 3HD2 LEU 52 HD23 LEU 52 108.038 -12.805 -1.554 324 H TYR 53 HN TYR 53 112.100 -11.919 -0.622 325 HA TYR 53 HA TYR 53 113.275 -12.417 1.899 326 1HB TYR 53 HB2 TYR 53 112.977 -13.897 -0.312 327 2HB TYR 53 HB1 TYR 53 114.637 -13.373 -0.569 328 HD1 TYR 53 HD1 TYR 53 112.654 -15.871 0.839 329 HD2 TYR 53 HD2 TYR 53 116.167 -13.601 1.612 330 HE1 TYR 53 HE1 TYR 53 113.430 -17.613 2.391 331 HE2 TYR 53 HE2 TYR 53 116.955 -15.338 3.163 332 HH TYR 53 HH TYR 53 115.241 -17.447 4.588 333 H SER 54 HN SER 54 114.727 -11.218 -1.124 334 HA SER 54 HA SER 54 117.109 -10.358 0.283 335 1HB SER 54 HB2 SER 54 116.422 -9.954 -2.633 336 2HB SER 54 HB1 SER 54 118.019 -9.861 -1.890 337 HG SER 54 HG SER 54 117.917 -12.070 -1.482 338 H LYS 55 HN LYS 55 114.306 -9.042 0.460 339 HA LYS 55 HA LYS 55 115.210 -6.286 -0.057 340 1HB LYS 55 HB2 LYS 55 112.804 -7.586 -0.793 341 2HB LYS 55 HB1 LYS 55 112.390 -6.414 0.447 342 1HG LYS 55 HG2 LYS 55 113.962 -4.883 -1.076 343 2HG LYS 55 HG1 LYS 55 113.367 -6.000 -2.306 344 1HD LYS 55 HD2 LYS 55 111.326 -5.085 -2.292 345 2HD LYS 55 HD1 LYS 55 111.262 -5.056 -0.529 346 1HE LYS 55 HE2 LYS 55 111.135 -2.804 -1.533 347 2HE LYS 55 HE1 LYS 55 112.528 -3.004 -0.472 348 1HZ LYS 55 HZ1 LYS 55 112.458 -2.340 -3.233 349 2HZ LYS 55 HZ2 LYS 55 113.401 -3.722 -2.984 350 3HZ LYS 55 HZ3 LYS 55 113.761 -2.292 -2.153 351 H SER 56 HN SER 56 113.962 -8.528 2.288 352 HA SER 56 HA SER 56 113.915 -6.400 4.320 353 1HB SER 56 HB2 SER 56 112.614 -7.998 5.693 354 2HB SER 56 HB1 SER 56 111.828 -7.635 4.157 355 HG SER 56 HG SER 56 113.442 -9.917 4.651 356 H THR 57 HN THR 57 116.130 -8.371 3.128 357 HA THR 57 HA THR 57 117.285 -8.974 5.770 358 HB THR 57 HB THR 57 116.550 -10.999 4.462 359 HG1 THR 57 HG1 THR 57 118.334 -10.927 6.033 360 1HG2 THR 57 HG21 THR 57 118.976 -10.675 2.768 361 2HG2 THR 57 HG22 THR 57 117.448 -9.966 2.245 362 3HG2 THR 57 HG23 THR 57 117.563 -11.703 2.533 363 H ALA 58 HN ALA 58 117.742 -7.561 2.641 364 HA ALA 58 HA ALA 58 120.433 -6.730 3.474 365 1HB ALA 58 HB1 ALA 58 121.025 -8.359 1.935 366 2HB ALA 58 HB2 ALA 58 121.019 -6.890 0.959 367 3HB ALA 58 HB3 ALA 58 119.655 -8.006 0.882 368 H ALA 59 HN ALA 59 117.754 -6.145 1.206 369 HA ALA 59 HA ALA 59 118.549 -3.626 0.329 370 1HB ALA 59 HB1 ALA 59 115.680 -4.409 0.764 371 2HB ALA 59 HB2 ALA 59 116.654 -5.033 -0.566 372 3HB ALA 59 HB3 ALA 59 116.337 -3.303 -0.439 373 H MET 60 HN MET 60 117.425 -4.598 3.426 374 HA MET 60 HA MET 60 117.136 -1.764 4.189 375 1HB MET 60 HB2 MET 60 115.524 -2.377 5.855 376 2HB MET 60 HB1 MET 60 115.012 -3.048 4.317 377 1HG MET 60 HG2 MET 60 115.079 -5.133 5.080 378 2HG MET 60 HG1 MET 60 116.634 -4.896 5.866 379 1HE MET 60 HE1 MET 60 115.276 -2.627 8.801 380 2HE MET 60 HE2 MET 60 116.498 -2.773 7.537 381 3HE MET 60 HE3 MET 60 116.517 -3.875 8.913 382 H SER 61 HN SER 61 118.386 -4.917 5.044 383 HA SER 61 HA SER 61 119.562 -4.003 7.511 384 1HB SER 61 HB2 SER 61 118.921 -6.507 6.406 385 2HB SER 61 HB1 SER 61 120.679 -6.491 6.549 386 HG SER 61 HG SER 61 120.494 -6.116 8.720 387 H THR 62 HN THR 62 120.512 -4.261 4.188 388 HA THR 62 HA THR 62 123.338 -3.946 4.818 389 HB THR 62 HB THR 62 122.099 -3.922 2.071 390 HG1 THR 62 HG1 THR 62 122.508 -6.191 2.091 391 1HG2 THR 62 HG21 THR 62 124.199 -3.735 1.411 392 2HG2 THR 62 HG22 THR 62 124.491 -5.339 2.081 393 3HG2 THR 62 HG23 THR 62 124.795 -3.904 3.061 394 H TYR 63 HN TYR 63 120.917 -1.864 4.969 395 HA TYR 63 HA TYR 63 121.770 0.276 3.297 396 1HB TYR 63 HB2 TYR 63 119.597 -0.343 4.977 397 2HB TYR 63 HB1 TYR 63 120.306 1.138 5.599 398 HD1 TYR 63 HD1 TYR 63 119.245 -0.373 2.354 399 HD2 TYR 63 HD2 TYR 63 119.592 3.157 4.703 400 HE1 TYR 63 HE1 TYR 63 118.096 0.904 0.594 401 HE2 TYR 63 HE2 TYR 63 118.443 4.444 2.951 402 HH TYR 63 HH TYR 63 116.931 4.074 1.086 403 H THR 64 HN THR 64 122.491 -0.821 6.527 404 HA THR 64 HA THR 64 123.584 1.460 7.662 405 HB THR 64 HB THR 64 123.258 -0.539 8.981 406 HG1 THR 64 HG1 THR 64 124.937 0.801 9.686 407 1HG2 THR 64 HG21 THR 64 125.574 -2.042 8.130 408 2HG2 THR 64 HG22 THR 64 124.353 -1.927 6.864 409 3HG2 THR 64 HG23 THR 64 123.925 -2.581 8.444 410 H GLY 65 HN GLY 65 124.704 -0.500 5.103 411 1HA GLY 65 HA2 GLY 65 127.456 0.380 5.237 412 2HA GLY 65 HA1 GLY 65 126.731 -0.602 3.971 413 H ILE 66 HN ILE 66 124.498 1.482 3.822 414 HA ILE 66 HA ILE 66 125.957 3.302 2.047 415 HB ILE 66 HB ILE 66 122.984 2.798 2.151 416 1HG1 ILE 66 HG12 ILE 66 123.712 1.712 -0.183 417 2HG1 ILE 66 HG11 ILE 66 125.202 1.431 0.714 418 1HG2 ILE 66 HG21 ILE 66 124.018 4.984 1.180 419 2HG2 ILE 66 HG22 ILE 66 122.760 4.133 0.287 420 3HG2 ILE 66 HG23 ILE 66 124.450 3.948 -0.179 421 1HD1 ILE 66 HD11 ILE 66 124.048 -0.505 1.108 422 2HD1 ILE 66 HD12 ILE 66 122.483 0.308 1.154 423 3HD1 ILE 66 HD13 ILE 66 123.595 0.457 2.514 424 H PHE 67 HN PHE 67 124.122 3.144 4.933 425 HA PHE 67 HA PHE 67 123.241 5.805 5.128 426 1HB PHE 67 HB2 PHE 67 122.952 3.518 6.585 427 2HB PHE 67 HB1 PHE 67 124.004 4.464 7.631 428 HD1 PHE 67 HD1 PHE 67 120.925 4.941 5.576 429 HD2 PHE 67 HD2 PHE 67 122.993 5.807 9.193 430 HE1 PHE 67 HE1 PHE 67 118.978 6.212 6.381 431 HE2 PHE 67 HE2 PHE 67 121.050 7.078 10.005 432 HZ PHE 67 HZ PHE 67 119.038 7.282 8.598 433 H THR 68 HN THR 68 126.123 4.179 6.362 434 HA THR 68 HA THR 68 127.293 6.598 7.376 435 HB THR 68 HB THR 68 129.176 4.434 6.954 436 HG1 THR 68 HG1 THR 68 126.850 3.805 8.446 437 1HG2 THR 68 HG21 THR 68 129.910 5.452 8.781 438 2HG2 THR 68 HG22 THR 68 128.649 4.581 9.652 439 3HG2 THR 68 HG23 THR 68 128.351 6.220 9.076 440 H ASP 69 HN ASP 69 127.305 4.868 4.381 441 HA ASP 69 HA ASP 69 129.725 5.746 3.286 442 1HB ASP 69 HB2 ASP 69 127.762 4.090 2.440 443 2HB ASP 69 HB1 ASP 69 127.435 5.496 1.431 444 H GLN 70 HN GLN 70 126.959 7.559 4.070 445 HA GLN 70 HA GLN 70 127.763 9.697 2.213 446 1HB GLN 70 HB2 GLN 70 125.326 8.668 2.348 447 2HB GLN 70 HB1 GLN 70 125.172 9.796 3.689 448 1HG GLN 70 HG2 GLN 70 126.325 11.267 1.617 449 2HG GLN 70 HG1 GLN 70 125.070 10.286 0.860 450 1HE2 GLN 70 HE21 GLN 70 125.614 12.366 3.677 451 2HE2 GLN 70 HE22 GLN 70 124.043 13.085 3.666 452 H VAL 71 HN VAL 71 128.531 8.835 5.178 453 HA VAL 71 HA VAL 71 128.104 11.444 6.452 454 HB VAL 71 HB VAL 71 129.184 8.881 7.632 455 1HG1 VAL 71 HG11 VAL 71 129.907 10.356 9.186 456 2HG1 VAL 71 HG12 VAL 71 128.230 10.279 9.724 457 3HG1 VAL 71 HG13 VAL 71 128.762 11.602 8.690 458 1HG2 VAL 71 HG21 VAL 71 126.925 8.487 7.002 459 2HG2 VAL 71 HG22 VAL 71 126.410 10.050 7.634 460 3HG2 VAL 71 HG23 VAL 71 126.933 8.782 8.741 461 H LEU 72 HN LEU 72 130.802 9.090 6.332 462 HA LEU 72 HA LEU 72 132.742 11.145 6.764 463 1HB LEU 72 HB2 LEU 72 134.339 9.235 6.096 464 2HB LEU 72 HB1 LEU 72 133.429 9.082 7.589 465 HG LEU 72 HG LEU 72 132.069 7.917 5.269 466 1HD1 LEU 72 HD11 LEU 72 134.862 7.189 5.891 467 2HD1 LEU 72 HD12 LEU 72 133.955 7.046 4.386 468 3HD1 LEU 72 HD13 LEU 72 133.726 5.857 5.668 469 1HD2 LEU 72 HD21 LEU 72 132.157 7.634 8.083 470 2HD2 LEU 72 HD22 LEU 72 132.624 6.086 7.380 471 3HD2 LEU 72 HD23 LEU 72 131.089 6.828 6.934 472 H SER 73 HN SER 73 131.261 9.573 4.068 473 HA SER 73 HA SER 73 133.138 10.226 2.084 474 1HB SER 73 HB2 SER 73 131.250 8.532 1.951 475 2HB SER 73 HB1 SER 73 130.187 9.900 1.626 476 HG SER 73 HG SER 73 131.483 8.607 -0.150 477 H VAL 74 HN VAL 74 130.735 12.094 3.707 478 HA VAL 74 HA VAL 74 131.096 14.259 1.731 479 HB VAL 74 HB VAL 74 128.758 13.953 3.607 480 1HG1 VAL 74 HG11 VAL 74 128.880 16.196 3.004 481 2HG1 VAL 74 HG12 VAL 74 127.763 15.522 1.817 482 3HG1 VAL 74 HG13 VAL 74 129.443 15.829 1.374 483 1HG2 VAL 74 HG21 VAL 74 129.229 12.886 0.865 484 2HG2 VAL 74 HG22 VAL 74 127.612 13.439 1.301 485 3HG2 VAL 74 HG23 VAL 74 128.385 12.155 2.229 486 H LEU 75 HN LEU 75 131.389 13.367 5.091 487 HA LEU 75 HA LEU 75 131.753 16.186 5.834 488 1HB LEU 75 HB2 LEU 75 131.456 15.580 8.054 489 2HB LEU 75 HB1 LEU 75 130.345 14.533 7.190 490 HG LEU 75 HG LEU 75 132.459 12.901 7.272 491 1HD1 LEU 75 HD11 LEU 75 133.607 13.059 9.391 492 2HD1 LEU 75 HD12 LEU 75 132.693 14.505 9.814 493 3HD1 LEU 75 HD13 LEU 75 133.846 14.549 8.481 494 1HD2 LEU 75 HD21 LEU 75 131.059 11.668 8.475 495 2HD2 LEU 75 HD22 LEU 75 129.981 13.064 8.489 496 3HD2 LEU 75 HD23 LEU 75 131.099 12.800 9.827 497 H LYS 76 HN LYS 76 133.603 13.316 5.220 498 HA LYS 76 HA LYS 76 135.971 14.564 6.443 499 1HB LYS 76 HB2 LYS 76 134.989 11.864 6.246 500 2HB LYS 76 HB1 LYS 76 136.613 11.973 5.581 501 1HG LYS 76 HG2 LYS 76 137.491 12.802 7.623 502 2HG LYS 76 HG1 LYS 76 135.876 13.046 8.291 503 1HD LYS 76 HD2 LYS 76 136.304 11.060 9.287 504 2HD LYS 76 HD1 LYS 76 135.747 10.420 7.738 505 1HE LYS 76 HE2 LYS 76 137.873 9.888 7.040 506 2HE LYS 76 HE1 LYS 76 138.629 11.106 8.068 507 1HZ LYS 76 HZ1 LYS 76 137.259 8.796 9.278 508 2HZ LYS 76 HZ2 LYS 76 138.502 9.753 9.912 509 3HZ LYS 76 HZ3 LYS 76 138.838 8.632 8.691 510 H GLY 77 HN GLY 77 134.491 14.142 3.472 511 1HA GLY 77 HA2 GLY 77 135.379 15.085 1.478 512 2HA GLY 77 HA1 GLY 77 137.001 14.797 2.101 513 H GLU 78 HN GLU 78 134.227 12.638 1.887 514 HA GLU 78 HA GLU 78 133.835 10.758 0.683 515 1HB GLU 78 HB2 GLU 78 135.201 12.173 -1.054 516 2HB GLU 78 HB1 GLU 78 136.419 10.940 -0.763 517 1HG GLU 78 HG2 GLU 78 133.699 9.946 -1.283 518 2HG GLU 78 HG1 GLU 78 134.490 10.753 -2.636 519 H GLU 79 HN GLU 79 134.525 10.208 3.104 520 HA GLU 79 HA GLU 79 135.449 8.634 4.463 521 1HB GLU 79 HB2 GLU 79 134.860 7.091 2.627 522 2HB GLU 79 HB1 GLU 79 136.424 7.393 1.885 523 1HG GLU 79 HG2 GLU 79 137.235 6.616 4.313 524 2HG GLU 79 HG1 GLU 79 135.714 5.730 4.213 Start of MODEL 8 1 H THR 13 H THR 13 114.951 3.326 12.799 2 HA THR 13 HA THR 13 113.723 5.513 14.329 3 HB THR 13 HB THR 13 111.729 4.958 12.827 4 HG1 THR 13 HG1 THR 13 112.619 3.079 11.886 5 1HG2 THR 13 HG21 THR 13 113.345 6.095 10.817 6 2HG2 THR 13 HG22 THR 13 113.896 6.731 12.366 7 3HG2 THR 13 HG23 THR 13 112.204 6.898 11.897 8 H PHE 14 HN PHE 14 111.593 4.723 15.175 9 HA PHE 14 HA PHE 14 111.349 1.861 15.589 10 1HB PHE 14 HB2 PHE 14 112.950 2.890 17.365 11 2HB PHE 14 HB1 PHE 14 111.487 3.591 18.049 12 HD1 PHE 14 HD1 PHE 14 109.786 2.187 19.054 13 HD2 PHE 14 HD2 PHE 14 113.365 0.520 17.467 14 HE1 PHE 14 HE1 PHE 14 109.321 0.078 20.234 15 HE2 PHE 14 HE2 PHE 14 112.907 -1.592 18.646 16 HZ PHE 14 HZ PHE 14 110.883 -1.815 20.030 17 H LEU 15 HN LEU 15 110.219 5.053 16.693 18 HA LEU 15 HA LEU 15 107.574 4.175 17.265 19 1HB LEU 15 HB2 LEU 15 107.067 6.648 17.253 20 2HB LEU 15 HB1 LEU 15 108.304 6.121 18.380 21 HG LEU 15 HG LEU 15 109.348 6.981 15.771 22 1HD1 LEU 15 HD11 LEU 15 107.667 8.628 15.806 23 2HD1 LEU 15 HD12 LEU 15 109.108 9.410 16.455 24 3HD1 LEU 15 HD13 LEU 15 107.830 8.872 17.545 25 1HD2 LEU 15 HD21 LEU 15 110.185 8.241 18.299 26 2HD2 LEU 15 HD22 LEU 15 111.152 7.543 17.000 27 3HD2 LEU 15 HD23 LEU 15 110.403 6.493 18.203 28 H THR 16 HN THR 16 109.181 5.417 14.420 29 HA THR 16 HA THR 16 107.032 6.215 12.865 30 HB THR 16 HB THR 16 109.395 4.710 11.753 31 HG1 THR 16 HG1 THR 16 109.283 7.368 12.722 32 1HG2 THR 16 HG21 THR 16 109.252 6.335 9.941 33 2HG2 THR 16 HG22 THR 16 107.837 7.060 10.704 34 3HG2 THR 16 HG23 THR 16 107.763 5.403 10.102 35 H GLN 17 HN GLN 17 107.991 3.021 13.804 36 HA GLN 17 HA GLN 17 106.846 1.481 11.788 37 1HB GLN 17 HB2 GLN 17 107.936 1.046 14.382 38 2HB GLN 17 HB1 GLN 17 106.402 0.190 14.295 39 1HG GLN 17 HG2 GLN 17 107.256 -0.770 12.096 40 2HG GLN 17 HG1 GLN 17 108.837 -0.160 12.585 41 1HE2 GLN 17 HE21 GLN 17 108.664 -0.628 15.326 42 2HE2 GLN 17 HE22 GLN 17 108.664 -2.334 15.597 43 H VAL 18 HN VAL 18 105.389 2.976 14.622 44 HA VAL 18 HA VAL 18 102.869 1.764 14.520 45 HB VAL 18 HB VAL 18 103.479 4.590 15.398 46 1HG1 VAL 18 HG11 VAL 18 101.293 2.768 16.379 47 2HG1 VAL 18 HG12 VAL 18 101.063 3.928 15.071 48 3HG1 VAL 18 HG13 VAL 18 101.493 4.493 16.685 49 1HG2 VAL 18 HG21 VAL 18 103.800 3.674 17.629 50 2HG2 VAL 18 HG22 VAL 18 104.943 2.951 16.498 51 3HG2 VAL 18 HG23 VAL 18 103.524 2.043 17.016 52 H LYS 19 HN LYS 19 104.189 4.512 12.778 53 HA LYS 19 HA LYS 19 101.790 5.509 11.693 54 1HB LYS 19 HB2 LYS 19 104.433 6.243 11.638 55 2HB LYS 19 HB1 LYS 19 104.158 5.726 9.981 56 1HG LYS 19 HG2 LYS 19 103.727 8.035 10.009 57 2HG LYS 19 HG1 LYS 19 102.143 7.258 9.980 58 1HD LYS 19 HD2 LYS 19 102.887 7.556 12.696 59 2HD LYS 19 HD1 LYS 19 103.207 9.093 11.891 60 1HE LYS 19 HE2 LYS 19 101.038 9.539 12.134 61 2HE LYS 19 HE1 LYS 19 100.742 8.320 10.895 62 1HZ LYS 19 HZ1 LYS 19 99.825 8.268 13.467 63 2HZ LYS 19 HZ2 LYS 19 101.102 7.159 13.481 64 3HZ LYS 19 HZ3 LYS 19 99.829 6.968 12.384 65 H GLU 20 HN GLU 20 104.316 3.569 10.119 66 HA GLU 20 HA GLU 20 102.907 2.983 7.790 67 1HB GLU 20 HB2 GLU 20 105.051 1.415 9.228 68 2HB GLU 20 HB1 GLU 20 104.439 0.978 7.638 69 1HG GLU 20 HG2 GLU 20 105.309 2.921 6.649 70 2HG GLU 20 HG1 GLU 20 105.586 3.688 8.214 71 H SER 21 HN SER 21 102.531 1.777 10.984 72 HA SER 21 HA SER 21 101.186 -0.654 10.256 73 1HB SER 21 HB2 SER 21 102.370 0.392 12.544 74 2HB SER 21 HB1 SER 21 100.654 0.341 12.937 75 HG SER 21 HG SER 21 100.778 -1.904 12.094 76 H LEU 22 HN LEU 22 100.117 2.349 11.862 77 HA LEU 22 HA LEU 22 97.368 1.775 11.671 78 1HB LEU 22 HB2 LEU 22 98.972 3.825 12.742 79 2HB LEU 22 HB1 LEU 22 97.874 4.613 11.625 80 HG LEU 22 HG LEU 22 96.937 4.622 13.858 81 1HD1 LEU 22 HD11 LEU 22 94.820 3.286 13.375 82 2HD1 LEU 22 HD12 LEU 22 95.591 2.841 11.852 83 3HD1 LEU 22 HD13 LEU 22 95.270 4.537 12.216 84 1HD2 LEU 22 HD21 LEU 22 96.215 2.302 14.753 85 2HD2 LEU 22 HD22 LEU 22 97.875 2.840 15.002 86 3HD2 LEU 22 HD23 LEU 22 97.505 1.688 13.719 87 H SER 23 HN SER 23 99.650 3.100 9.424 88 HA SER 23 HA SER 23 97.778 4.326 7.676 89 1HB SER 23 HB2 SER 23 100.302 4.733 7.767 90 2HB SER 23 HB1 SER 23 100.467 3.234 6.854 91 H SER 24 HN SER 24 99.028 1.088 8.026 92 HA SER 24 HA SER 24 98.175 0.081 5.527 93 1HB SER 24 HB2 SER 24 98.302 -1.559 8.044 94 2HB SER 24 HB1 SER 24 98.614 -2.065 6.385 95 HG SER 24 HG SER 24 100.454 -0.605 6.461 96 H TYR 25 HN TYR 25 96.591 0.476 8.641 97 HA TYR 25 HA TYR 25 94.299 -1.050 8.200 98 1HB TYR 25 HB2 TYR 25 95.320 0.570 10.180 99 2HB TYR 25 HB1 TYR 25 93.886 1.449 9.668 100 HD1 TYR 25 HD1 TYR 25 95.149 -1.380 11.506 101 HD2 TYR 25 HD2 TYR 25 91.649 0.288 9.755 102 HE1 TYR 25 HE1 TYR 25 93.760 -2.883 12.868 103 HE2 TYR 25 HE2 TYR 25 90.249 -1.210 11.113 104 HH TYR 25 HH TYR 25 91.290 -2.799 13.765 105 H TRP 26 HN TRP 26 95.189 2.206 7.279 106 HA TRP 26 HA TRP 26 92.601 2.699 6.013 107 1HB TRP 26 HB2 TRP 26 95.035 4.434 6.468 108 2HB TRP 26 HB1 TRP 26 93.630 4.963 5.547 109 HD1 TRP 26 HD1 TRP 26 92.937 2.864 8.620 110 HE1 TRP 26 HE1 TRP 26 91.898 4.352 10.444 111 HE3 TRP 26 HE3 TRP 26 93.683 7.438 6.460 112 HZ2 TRP 26 HZ2 TRP 26 91.456 7.100 10.908 113 HZ3 TRP 26 HZ3 TRP 26 92.924 9.446 7.661 114 HH2 TRP 26 HH2 TRP 26 91.833 9.279 9.839 115 H GLU 27 HN GLU 27 95.723 1.533 5.218 116 HA GLU 27 HA GLU 27 96.065 2.474 2.612 117 1HB GLU 27 HB2 GLU 27 97.715 1.151 3.994 118 2HB GLU 27 HB1 GLU 27 96.811 -0.293 3.560 119 1HG GLU 27 HG2 GLU 27 97.236 0.810 1.120 120 2HG GLU 27 HG1 GLU 27 98.689 1.312 1.982 121 H SER 28 HN SER 28 94.149 -0.239 3.822 122 HA SER 28 HA SER 28 93.502 -1.329 1.299 123 1HB SER 28 HB2 SER 28 92.963 -2.842 2.910 124 2HB SER 28 HB1 SER 28 92.476 -1.609 4.070 125 HG SER 28 HG SER 28 90.544 -2.265 3.526 126 H ALA 29 HN ALA 29 91.937 1.093 3.339 127 HA ALA 29 HA ALA 29 89.638 1.460 1.747 128 1HB ALA 29 HB1 ALA 29 89.978 3.907 2.845 129 2HB ALA 29 HB2 ALA 29 90.987 2.936 3.916 130 3HB ALA 29 HB3 ALA 29 89.282 2.535 3.706 131 H LYS 30 HN LYS 30 92.900 2.671 1.607 132 HA LYS 30 HA LYS 30 92.377 4.596 -0.473 133 1HB LYS 30 HB2 LYS 30 94.812 3.582 0.942 134 2HB LYS 30 HB1 LYS 30 95.004 4.443 -0.577 135 1HG LYS 30 HG2 LYS 30 93.603 6.287 0.469 136 2HG LYS 30 HG1 LYS 30 93.855 5.451 2.003 137 1HD LYS 30 HD2 LYS 30 95.634 6.878 2.065 138 2HD LYS 30 HD1 LYS 30 96.382 5.531 1.205 139 1HE LYS 30 HE2 LYS 30 96.787 6.842 -0.540 140 2HE LYS 30 HE1 LYS 30 95.069 7.208 -0.690 141 1HZ LYS 30 HZ1 LYS 30 96.697 8.613 1.321 142 2HZ LYS 30 HZ2 LYS 30 95.280 9.121 0.548 143 3HZ LYS 30 HZ3 LYS 30 96.747 9.111 -0.295 144 H THR 31 HN THR 31 93.199 1.232 -0.248 145 HA THR 31 HA THR 31 94.379 0.837 -2.760 146 HB THR 31 HB THR 31 92.668 -1.049 -1.141 147 HG1 THR 31 HG1 THR 31 94.520 -0.245 -0.034 148 1HG2 THR 31 HG21 THR 31 94.863 -2.075 -2.794 149 2HG2 THR 31 HG22 THR 31 93.436 -1.507 -3.660 150 3HG2 THR 31 HG23 THR 31 93.281 -2.767 -2.435 151 H ALA 32 HN ALA 32 91.000 0.865 -1.720 152 HA ALA 32 HA ALA 32 89.795 -0.074 -4.046 153 1HB ALA 32 HB1 ALA 32 88.447 0.192 -2.114 154 2HB ALA 32 HB2 ALA 32 87.825 1.331 -3.308 155 3HB ALA 32 HB3 ALA 32 88.842 1.906 -1.987 156 H ALA 33 HN ALA 33 91.432 2.861 -3.406 157 HA ALA 33 HA ALA 33 90.270 4.317 -5.629 158 1HB ALA 33 HB1 ALA 33 91.953 4.940 -3.351 159 2HB ALA 33 HB2 ALA 33 90.910 5.994 -4.304 160 3HB ALA 33 HB3 ALA 33 92.559 5.672 -4.837 161 H GLN 34 HN GLN 34 93.211 2.550 -4.854 162 HA GLN 34 HA GLN 34 94.687 3.245 -7.163 163 1HB GLN 34 HB2 GLN 34 95.104 1.701 -4.863 164 2HB GLN 34 HB1 GLN 34 95.279 0.574 -6.200 165 1HG GLN 34 HG2 GLN 34 96.859 2.273 -7.228 166 2HG GLN 34 HG1 GLN 34 96.841 3.075 -5.658 167 1HE2 GLN 34 HE21 GLN 34 98.386 0.827 -7.532 168 2HE2 GLN 34 HE22 GLN 34 99.249 -0.020 -6.298 169 H ASN 35 HN ASN 35 92.294 0.772 -6.488 170 HA ASN 35 HA ASN 35 92.631 -0.969 -8.591 171 1HB ASN 35 HB2 ASN 35 90.806 -0.551 -6.568 172 2HB ASN 35 HB1 ASN 35 89.838 -0.351 -8.024 173 1HD2 ASN 35 HD21 ASN 35 89.055 -2.354 -6.610 174 2HD2 ASN 35 HD22 ASN 35 89.602 -3.877 -7.215 175 H LEU 36 HN LEU 36 90.353 1.777 -8.530 176 HA LEU 36 HA LEU 36 89.788 1.655 -11.293 177 1HB LEU 36 HB2 LEU 36 88.871 2.961 -9.004 178 2HB LEU 36 HB1 LEU 36 89.370 4.242 -10.086 179 HG LEU 36 HG LEU 36 87.464 2.047 -10.891 180 1HD1 LEU 36 HD11 LEU 36 85.803 3.080 -9.853 181 2HD1 LEU 36 HD12 LEU 36 86.218 4.608 -10.626 182 3HD1 LEU 36 HD13 LEU 36 86.975 4.159 -9.098 183 1HD2 LEU 36 HD21 LEU 36 88.172 2.891 -12.882 184 2HD2 LEU 36 HD22 LEU 36 88.592 4.461 -12.195 185 3HD2 LEU 36 HD23 LEU 36 86.905 4.064 -12.522 186 H TYR 37 HN TYR 37 92.322 3.091 -9.441 187 HA TYR 37 HA TYR 37 93.053 5.145 -11.254 188 1HB TYR 37 HB2 TYR 37 93.698 4.783 -8.742 189 2HB TYR 37 HB1 TYR 37 95.051 3.887 -9.425 190 HD1 TYR 37 HD1 TYR 37 96.840 5.018 -10.555 191 HD2 TYR 37 HD2 TYR 37 93.453 7.192 -9.180 192 HE1 TYR 37 HE1 TYR 37 98.042 7.126 -10.950 193 HE2 TYR 37 HE2 TYR 37 94.646 9.308 -9.569 194 HH TYR 37 HH TYR 37 96.792 9.910 -11.334 195 H GLU 38 HN GLU 38 94.983 2.309 -10.450 196 HA GLU 38 HA GLU 38 95.446 1.783 -13.277 197 1HB GLU 38 HB2 GLU 38 97.255 3.322 -11.777 198 2HB GLU 38 HB1 GLU 38 98.000 1.738 -11.941 199 1HG GLU 38 HG2 GLU 38 97.330 2.007 -14.448 200 2HG GLU 38 HG1 GLU 38 97.275 3.722 -14.039 201 H LYS 39 HN LYS 39 94.858 0.568 -10.249 202 HA LYS 39 HA LYS 39 96.498 -1.771 -10.342 203 1HB LYS 39 HB2 LYS 39 94.388 -0.696 -8.606 204 2HB LYS 39 HB1 LYS 39 94.411 -2.449 -8.706 205 1HG LYS 39 HG2 LYS 39 97.007 -2.032 -8.291 206 2HG LYS 39 HG1 LYS 39 96.368 -0.579 -7.518 207 1HD LYS 39 HD2 LYS 39 96.556 -2.303 -5.858 208 2HD LYS 39 HD1 LYS 39 94.844 -2.030 -6.189 209 1HE LYS 39 HE2 LYS 39 94.698 -4.003 -7.505 210 2HE LYS 39 HE1 LYS 39 96.450 -4.199 -7.521 211 1HZ LYS 39 HZ1 LYS 39 96.120 -5.567 -5.813 212 2HZ LYS 39 HZ2 LYS 39 94.537 -5.032 -5.552 213 3HZ LYS 39 HZ3 LYS 39 95.837 -4.186 -4.876 214 H THR 40 HN THR 40 93.175 -0.999 -11.257 215 HA THR 40 HA THR 40 92.707 -3.700 -12.213 216 HB THR 40 HB THR 40 90.836 -1.393 -12.632 217 HG1 THR 40 HG1 THR 40 90.201 -1.439 -10.577 218 1HG2 THR 40 HG21 THR 40 89.982 -3.351 -13.558 219 2HG2 THR 40 HG22 THR 40 89.179 -3.197 -11.995 220 3HG2 THR 40 HG23 THR 40 90.515 -4.331 -12.193 221 H TYR 41 HN TYR 41 93.341 -0.483 -13.441 222 HA TYR 41 HA TYR 41 92.658 -0.747 -16.105 223 1HB TYR 41 HB2 TYR 41 93.842 1.177 -14.587 224 2HB TYR 41 HB1 TYR 41 95.193 0.670 -15.596 225 HD1 TYR 41 HD1 TYR 41 92.937 3.144 -15.370 226 HD2 TYR 41 HD2 TYR 41 94.139 0.193 -18.189 227 HE1 TYR 41 HE1 TYR 41 92.102 4.559 -17.198 228 HE2 TYR 41 HE2 TYR 41 93.306 1.600 -20.025 229 HH TYR 41 HH TYR 41 92.710 4.757 -19.799 230 H LEU 42 HN LEU 42 95.376 -2.083 -14.383 231 HA LEU 42 HA LEU 42 96.819 -2.810 -16.771 232 1HB LEU 42 HB2 LEU 42 97.220 -3.061 -13.851 233 2HB LEU 42 HB1 LEU 42 97.986 -4.289 -14.841 234 HG LEU 42 HG LEU 42 98.528 -1.723 -15.987 235 1HD1 LEU 42 HD11 LEU 42 98.529 -1.790 -13.064 236 2HD1 LEU 42 HD12 LEU 42 98.563 -0.418 -14.173 237 3HD1 LEU 42 HD13 LEU 42 100.057 -1.268 -13.775 238 1HD2 LEU 42 HD21 LEU 42 99.953 -4.108 -15.049 239 2HD2 LEU 42 HD22 LEU 42 100.888 -2.616 -14.980 240 3HD2 LEU 42 HD23 LEU 42 100.183 -3.144 -16.507 241 HA PRO 43 HA PRO 43 95.092 -6.793 -17.483 242 1HB PRO 43 HB2 PRO 43 97.208 -8.363 -18.069 243 2HB PRO 43 HB1 PRO 43 96.665 -7.061 -19.133 244 1HG PRO 43 HG2 PRO 43 98.921 -7.087 -17.171 245 2HG PRO 43 HG1 PRO 43 98.875 -6.422 -18.813 246 1HD PRO 43 HD2 PRO 43 98.604 -4.893 -16.574 247 2HD PRO 43 HD1 PRO 43 97.864 -4.478 -18.131 248 H ALA 44 HN ALA 44 95.165 -6.425 -14.741 249 HA ALA 44 HA ALA 44 95.283 -7.469 -12.713 250 1HB ALA 44 HB1 ALA 44 93.458 -8.699 -13.270 251 2HB ALA 44 HB2 ALA 44 94.612 -10.014 -13.052 252 3HB ALA 44 HB3 ALA 44 94.238 -9.428 -14.673 253 H VAL 45 HN VAL 45 97.832 -7.136 -13.535 254 HA VAL 45 HA VAL 45 99.309 -9.593 -13.595 255 HB VAL 45 HB VAL 45 100.451 -6.899 -12.918 256 1HG1 VAL 45 HG11 VAL 45 101.952 -8.752 -12.608 257 2HG1 VAL 45 HG12 VAL 45 102.444 -7.838 -14.034 258 3HG1 VAL 45 HG13 VAL 45 101.584 -9.367 -14.219 259 1HG2 VAL 45 HG21 VAL 45 99.820 -8.025 -15.643 260 2HG2 VAL 45 HG22 VAL 45 100.848 -6.622 -15.353 261 3HG2 VAL 45 HG23 VAL 45 99.141 -6.571 -14.914 262 H ASP 46 HN ASP 46 99.463 -6.930 -11.224 263 HA ASP 46 HA ASP 46 99.579 -6.914 -8.963 264 1HB ASP 46 HB2 ASP 46 98.920 -9.861 -9.176 265 2HB ASP 46 HB1 ASP 46 99.016 -8.961 -7.669 266 H GLU 47 HN GLU 47 101.577 -6.395 -8.554 267 HA GLU 47 HA GLU 47 103.652 -6.675 -7.606 268 1HB GLU 47 HB2 GLU 47 103.563 -9.600 -8.306 269 2HB GLU 47 HB1 GLU 47 104.596 -8.799 -7.134 270 1HG GLU 47 HG2 GLU 47 102.468 -8.220 -5.876 271 2HG GLU 47 HG1 GLU 47 101.661 -9.377 -6.932 272 H LYS 48 HN LYS 48 103.382 -8.977 -10.346 273 HA LYS 48 HA LYS 48 105.895 -8.512 -11.412 274 1HB LYS 48 HB2 LYS 48 103.506 -9.827 -12.258 275 2HB LYS 48 HB1 LYS 48 104.095 -8.847 -13.595 276 1HG LYS 48 HG2 LYS 48 106.059 -10.036 -13.779 277 2HG LYS 48 HG1 LYS 48 105.986 -10.615 -12.114 278 1HD LYS 48 HD2 LYS 48 105.298 -12.532 -13.082 279 2HD LYS 48 HD1 LYS 48 103.733 -11.717 -13.122 280 1HE LYS 48 HE2 LYS 48 104.029 -12.531 -15.297 281 2HE LYS 48 HE1 LYS 48 104.451 -10.822 -15.400 282 1HZ LYS 48 HZ1 LYS 48 106.828 -11.634 -15.023 283 2HZ LYS 48 HZ2 LYS 48 106.141 -11.897 -16.546 284 3HZ LYS 48 HZ3 LYS 48 106.244 -13.167 -15.434 285 H LEU 49 HN LEU 49 102.845 -6.818 -12.027 286 HA LEU 49 HA LEU 49 104.115 -4.882 -13.749 287 1HB LEU 49 HB2 LEU 49 102.020 -4.052 -14.167 288 2HB LEU 49 HB1 LEU 49 101.630 -5.698 -13.723 289 HG LEU 49 HG LEU 49 101.277 -4.714 -11.334 290 1HD1 LEU 49 HD11 LEU 49 101.602 -2.310 -13.008 291 2HD1 LEU 49 HD12 LEU 49 101.864 -2.538 -11.279 292 3HD1 LEU 49 HD13 LEU 49 100.230 -2.299 -11.899 293 1HD2 LEU 49 HD21 LEU 49 99.594 -5.263 -13.481 294 2HD2 LEU 49 HD22 LEU 49 99.067 -3.689 -12.890 295 3HD2 LEU 49 HD23 LEU 49 99.128 -5.067 -11.792 296 H ARG 50 HN ARG 50 103.364 -5.239 -10.363 297 HA ARG 50 HA ARG 50 103.990 -2.430 -9.838 298 1HB ARG 50 HB2 ARG 50 102.235 -4.212 -8.651 299 2HB ARG 50 HB1 ARG 50 103.564 -4.129 -7.502 300 1HG ARG 50 HG2 ARG 50 101.908 -2.499 -6.916 301 2HG ARG 50 HG1 ARG 50 103.354 -1.667 -7.495 302 1HD ARG 50 HD2 ARG 50 102.298 -1.419 -9.704 303 2HD ARG 50 HD1 ARG 50 100.845 -2.200 -9.083 304 HE ARG 50 HE ARG 50 100.258 -0.225 -8.098 305 1HH1 ARG 50 HH11 ARG 50 103.655 -0.106 -8.888 306 2HH1 ARG 50 HH12 ARG 50 103.820 1.568 -8.478 307 1HH2 ARG 50 HH21 ARG 50 100.472 1.978 -7.560 308 2HH2 ARG 50 HH22 ARG 50 102.013 2.751 -7.724 309 H ASP 51 HN ASP 51 106.009 -4.371 -10.792 310 HA ASP 51 HA ASP 51 107.813 -4.448 -8.477 311 1HB ASP 51 HB2 ASP 51 107.336 -6.238 -10.700 312 2HB ASP 51 HB1 ASP 51 109.032 -5.771 -10.636 313 H LEU 52 HN LEU 52 107.686 -3.535 -11.908 314 HA LEU 52 HA LEU 52 110.211 -2.463 -12.214 315 1HB LEU 52 HB2 LEU 52 108.998 -0.826 -13.821 316 2HB LEU 52 HB1 LEU 52 109.003 -2.543 -14.177 317 HG LEU 52 HG LEU 52 106.698 -1.837 -12.574 318 1HD1 LEU 52 HD11 LEU 52 105.586 -0.625 -14.545 319 2HD1 LEU 52 HD12 LEU 52 107.231 -0.238 -15.051 320 3HD1 LEU 52 HD13 LEU 52 106.641 0.306 -13.481 321 1HD2 LEU 52 HD21 LEU 52 106.763 -2.828 -15.409 322 2HD2 LEU 52 HD22 LEU 52 105.544 -3.120 -14.169 323 3HD2 LEU 52 HD23 LEU 52 107.134 -3.870 -14.036 324 H TYR 53 HN TYR 53 107.407 -1.103 -10.641 325 HA TYR 53 HA TYR 53 108.716 1.475 -10.197 326 1HB TYR 53 HB2 TYR 53 106.136 0.859 -10.671 327 2HB TYR 53 HB1 TYR 53 106.121 0.838 -8.910 328 HD1 TYR 53 HD1 TYR 53 106.643 2.883 -7.642 329 HD2 TYR 53 HD2 TYR 53 106.402 2.912 -11.889 330 HE1 TYR 53 HE1 TYR 53 106.513 5.339 -7.612 331 HE2 TYR 53 HE2 TYR 53 106.268 5.368 -11.871 332 HH TYR 53 HH TYR 53 107.098 7.234 -9.309 333 H SER 54 HN SER 54 107.211 -1.082 -8.241 334 HA SER 54 HA SER 54 108.312 -0.040 -5.789 335 1HB SER 54 HB2 SER 54 107.128 -2.757 -5.827 336 2HB SER 54 HB1 SER 54 106.846 -1.414 -4.719 337 HG SER 54 HG SER 54 105.515 -0.468 -6.251 338 H LYS 55 HN LYS 55 110.173 -1.076 -7.908 339 HA LYS 55 HA LYS 55 111.785 -2.709 -6.110 340 1HB LYS 55 HB2 LYS 55 110.417 -4.135 -7.815 341 2HB LYS 55 HB1 LYS 55 111.598 -3.555 -8.981 342 1HG LYS 55 HG2 LYS 55 112.856 -4.567 -6.575 343 2HG LYS 55 HG1 LYS 55 111.834 -5.775 -7.356 344 1HD LYS 55 HD2 LYS 55 113.096 -5.791 -9.285 345 2HD LYS 55 HD1 LYS 55 113.712 -4.158 -9.019 346 1HE LYS 55 HE2 LYS 55 115.483 -5.772 -8.683 347 2HE LYS 55 HE1 LYS 55 115.075 -5.001 -7.151 348 1HZ LYS 55 HZ1 LYS 55 114.070 -6.907 -6.363 349 2HZ LYS 55 HZ2 LYS 55 115.373 -7.541 -7.234 350 3HZ LYS 55 HZ3 LYS 55 113.821 -7.559 -7.905 351 H SER 56 HN SER 56 111.560 -0.923 -9.151 352 HA SER 56 HA SER 56 114.451 -0.525 -9.179 353 1HB SER 56 HB2 SER 56 112.541 0.700 -11.145 354 2HB SER 56 HB1 SER 56 114.225 0.232 -11.378 355 HG SER 56 HG SER 56 113.511 -1.967 -11.154 356 H THR 57 HN THR 57 111.602 1.093 -8.157 357 HA THR 57 HA THR 57 113.095 3.618 -7.914 358 HB THR 57 HB THR 57 110.101 3.206 -7.963 359 HG1 THR 57 HG1 THR 57 111.017 2.900 -10.003 360 1HG2 THR 57 HG21 THR 57 111.153 5.863 -8.519 361 2HG2 THR 57 HG22 THR 57 111.416 5.322 -6.861 362 3HG2 THR 57 HG23 THR 57 109.783 5.363 -7.527 363 H ALA 58 HN ALA 58 111.289 1.171 -6.214 364 HA ALA 58 HA ALA 58 111.441 2.714 -3.728 365 1HB ALA 58 HB1 ALA 58 109.272 1.815 -4.119 366 2HB ALA 58 HB2 ALA 58 109.997 0.881 -2.811 367 3HB ALA 58 HB3 ALA 58 109.930 0.211 -4.442 368 H ALA 59 HN ALA 59 112.340 -0.462 -5.035 369 HA ALA 59 HA ALA 59 113.845 -1.119 -2.662 370 1HB ALA 59 HB1 ALA 59 114.136 -2.650 -5.201 371 2HB ALA 59 HB2 ALA 59 112.604 -2.711 -4.330 372 3HB ALA 59 HB3 ALA 59 114.090 -3.225 -3.535 373 H MET 60 HN MET 60 114.458 1.016 -5.050 374 HA MET 60 HA MET 60 117.365 0.520 -4.905 375 1HB MET 60 HB2 MET 60 115.749 1.525 -7.247 376 2HB MET 60 HB1 MET 60 117.502 1.627 -7.164 377 1HG MET 60 HG2 MET 60 116.277 -1.026 -6.705 378 2HG MET 60 HG1 MET 60 116.231 -0.381 -8.345 379 1HE MET 60 HE1 MET 60 118.142 -3.044 -6.754 380 2HE MET 60 HE2 MET 60 119.137 -3.071 -8.210 381 3HE MET 60 HE3 MET 60 117.389 -2.874 -8.339 382 H SER 61 HN SER 61 114.765 2.886 -4.963 383 HA SER 61 HA SER 61 116.679 5.040 -4.434 384 1HB SER 61 HB2 SER 61 114.409 4.954 -6.009 385 2HB SER 61 HB1 SER 61 113.862 5.807 -4.566 386 HG SER 61 HG SER 61 115.626 7.242 -4.852 387 H THR 62 HN THR 62 114.660 2.929 -2.726 388 HA THR 62 HA THR 62 114.386 4.824 -0.492 389 HB THR 62 HB THR 62 113.046 2.151 -0.549 390 HG1 THR 62 HG1 THR 62 111.314 3.130 -1.668 391 1HG2 THR 62 HG21 THR 62 112.062 2.940 1.259 392 2HG2 THR 62 HG22 THR 62 111.334 4.214 0.281 393 3HG2 THR 62 HG23 THR 62 112.886 4.487 1.072 394 H TYR 63 HN TYR 63 116.254 2.189 -1.525 395 HA TYR 63 HA TYR 63 116.712 0.922 0.976 396 1HB TYR 63 HB2 TYR 63 117.366 0.501 -1.701 397 2HB TYR 63 HB1 TYR 63 118.904 0.730 -0.882 398 HD1 TYR 63 HD1 TYR 63 119.260 -0.670 1.293 399 HD2 TYR 63 HD2 TYR 63 116.372 -1.603 -1.688 400 HE1 TYR 63 HE1 TYR 63 119.177 -2.989 2.106 401 HE2 TYR 63 HE2 TYR 63 116.282 -3.926 -0.883 402 HH TYR 63 HH TYR 63 117.746 -5.499 0.369 403 H THR 64 HN THR 64 118.068 3.659 -0.691 404 HA THR 64 HA THR 64 120.524 3.945 0.542 405 HB THR 64 HB THR 64 119.798 6.531 0.359 406 HG1 THR 64 HG1 THR 64 117.642 6.062 -0.136 407 1HG2 THR 64 HG21 THR 64 121.530 5.345 -1.001 408 2HG2 THR 64 HG22 THR 64 120.635 6.604 -1.852 409 3HG2 THR 64 HG23 THR 64 120.245 4.907 -2.126 410 H GLY 65 HN GLY 65 117.367 4.313 1.811 411 1HA GLY 65 HA2 GLY 65 118.185 5.806 4.151 412 2HA GLY 65 HA1 GLY 65 116.585 5.145 3.839 413 H ILE 66 HN ILE 66 117.888 2.469 3.229 414 HA ILE 66 HA ILE 66 118.150 1.645 6.036 415 HB ILE 66 HB ILE 66 117.549 -0.065 3.622 416 1HG1 ILE 66 HG12 ILE 66 115.281 -0.213 4.911 417 2HG1 ILE 66 HG11 ILE 66 115.804 1.296 5.652 418 1HG2 ILE 66 HG21 ILE 66 116.712 -1.450 5.812 419 2HG2 ILE 66 HG22 ILE 66 118.163 -0.657 6.423 420 3HG2 ILE 66 HG23 ILE 66 118.257 -1.687 4.996 421 1HD1 ILE 66 HD11 ILE 66 114.304 1.441 3.608 422 2HD1 ILE 66 HD12 ILE 66 115.717 0.940 2.679 423 3HD1 ILE 66 HD13 ILE 66 115.761 2.436 3.612 424 H PHE 67 HN PHE 67 119.920 2.080 3.188 425 HA PHE 67 HA PHE 67 121.877 0.057 3.510 426 1HB PHE 67 HB2 PHE 67 121.186 1.920 1.592 427 2HB PHE 67 HB1 PHE 67 122.749 2.493 2.163 428 HD1 PHE 67 HD1 PHE 67 124.570 0.567 2.401 429 HD2 PHE 67 HD2 PHE 67 121.161 0.422 -0.141 430 HE1 PHE 67 HE1 PHE 67 125.689 -1.121 1.003 431 HE2 PHE 67 HE2 PHE 67 122.273 -1.266 -1.545 432 HZ PHE 67 HZ PHE 67 124.540 -2.040 -0.972 433 H THR 68 HN THR 68 121.767 3.502 4.294 434 HA THR 68 HA THR 68 124.327 3.469 5.607 435 HB THR 68 HB THR 68 122.730 5.755 6.321 436 HG1 THR 68 HG1 THR 68 122.778 5.097 3.564 437 1HG2 THR 68 HG21 THR 68 124.894 5.720 4.256 438 2HG2 THR 68 HG22 THR 68 125.247 5.568 5.977 439 3HG2 THR 68 HG23 THR 68 124.438 7.011 5.366 440 H ASP 69 HN ASP 69 121.001 3.073 6.535 441 HA ASP 69 HA ASP 69 121.127 3.683 9.247 442 1HB ASP 69 HB2 ASP 69 119.123 2.967 7.686 443 2HB ASP 69 HB1 ASP 69 119.474 1.367 8.334 444 H GLN 70 HN GLN 70 122.381 0.960 7.519 445 HA GLN 70 HA GLN 70 122.991 -0.395 10.058 446 1HB GLN 70 HB2 GLN 70 123.408 -2.407 8.688 447 2HB GLN 70 HB1 GLN 70 121.768 -1.799 8.505 448 1HG GLN 70 HG2 GLN 70 122.028 -1.658 6.318 449 2HG GLN 70 HG1 GLN 70 123.417 -0.593 6.521 450 1HE2 GLN 70 HE21 GLN 70 124.807 -1.359 5.056 451 2HE2 GLN 70 HE22 GLN 70 125.397 -2.982 5.003 452 H VAL 71 HN VAL 71 124.409 1.892 8.536 453 HA VAL 71 HA VAL 71 127.069 0.641 8.329 454 HB VAL 71 HB VAL 71 126.067 3.267 7.216 455 1HG1 VAL 71 HG11 VAL 71 128.742 1.948 6.770 456 2HG1 VAL 71 HG12 VAL 71 128.468 3.296 7.876 457 3HG1 VAL 71 HG13 VAL 71 128.205 3.507 6.145 458 1HG2 VAL 71 HG21 VAL 71 127.048 1.047 5.507 459 2HG2 VAL 71 HG22 VAL 71 125.824 2.273 5.179 460 3HG2 VAL 71 HG23 VAL 71 125.440 0.900 6.218 461 H LEU 72 HN LEU 72 125.735 3.834 9.244 462 HA LEU 72 HA LEU 72 127.922 4.383 10.967 463 1HB LEU 72 HB2 LEU 72 126.097 6.133 11.852 464 2HB LEU 72 HB1 LEU 72 127.035 6.389 10.396 465 HG LEU 72 HG LEU 72 124.421 4.996 10.108 466 1HD1 LEU 72 HD11 LEU 72 124.502 7.321 11.587 467 2HD1 LEU 72 HD12 LEU 72 123.107 6.688 10.715 468 3HD1 LEU 72 HD13 LEU 72 124.152 7.885 9.953 469 1HD2 LEU 72 HD21 LEU 72 124.621 6.927 8.193 470 2HD2 LEU 72 HD22 LEU 72 125.186 5.267 8.015 471 3HD2 LEU 72 HD23 LEU 72 126.316 6.537 8.487 472 H SER 73 HN SER 73 124.780 2.951 11.300 473 HA SER 73 HA SER 73 124.627 2.996 14.127 474 1HB SER 73 HB2 SER 73 122.814 2.545 12.258 475 2HB SER 73 HB1 SER 73 123.274 0.868 12.550 476 HG SER 73 HG SER 73 122.632 1.061 14.653 477 H VAL 74 HN VAL 74 126.535 1.192 11.986 478 HA VAL 74 HA VAL 74 127.011 -0.839 14.071 479 HB VAL 74 HB VAL 74 127.450 -1.227 11.116 480 1HG1 VAL 74 HG11 VAL 74 128.710 -2.891 11.973 481 2HG1 VAL 74 HG12 VAL 74 127.152 -3.690 12.190 482 3HG1 VAL 74 HG13 VAL 74 127.903 -2.838 13.541 483 1HG2 VAL 74 HG21 VAL 74 125.078 -0.905 11.507 484 2HG2 VAL 74 HG22 VAL 74 125.109 -2.085 12.817 485 3HG2 VAL 74 HG23 VAL 74 125.405 -2.602 11.157 486 H LEU 75 HN LEU 75 128.473 1.565 11.999 487 HA LEU 75 HA LEU 75 131.098 0.689 13.048 488 1HB LEU 75 HB2 LEU 75 132.175 1.150 11.021 489 2HB LEU 75 HB1 LEU 75 130.740 0.233 10.606 490 HG LEU 75 HG LEU 75 129.818 2.784 10.360 491 1HD1 LEU 75 HD11 LEU 75 131.799 3.966 10.658 492 2HD1 LEU 75 HD12 LEU 75 131.652 3.846 8.904 493 3HD1 LEU 75 HD13 LEU 75 132.755 2.778 9.773 494 1HD2 LEU 75 HD21 LEU 75 129.290 1.348 8.649 495 2HD2 LEU 75 HD22 LEU 75 130.953 0.790 8.459 496 3HD2 LEU 75 HD23 LEU 75 130.482 2.379 7.855 497 H LYS 76 HN LYS 76 128.909 3.306 12.917 498 HA LYS 76 HA LYS 76 131.085 5.235 13.338 499 1HB LYS 76 HB2 LYS 76 128.285 5.404 12.421 500 2HB LYS 76 HB1 LYS 76 128.871 6.750 13.371 501 1HG LYS 76 HG2 LYS 76 130.768 5.990 11.328 502 2HG LYS 76 HG1 LYS 76 129.188 6.376 10.646 503 1HD LYS 76 HD2 LYS 76 129.267 8.562 11.356 504 2HD LYS 76 HD1 LYS 76 130.353 8.198 12.698 505 1HE LYS 76 HE2 LYS 76 132.178 8.560 11.457 506 2HE LYS 76 HE1 LYS 76 131.534 7.653 10.090 507 1HZ LYS 76 HZ1 LYS 76 131.922 10.029 9.613 508 2HZ LYS 76 HZ2 LYS 76 130.751 10.436 10.763 509 3HZ LYS 76 HZ3 LYS 76 130.312 9.564 9.381 510 H GLY 77 HN GLY 77 128.894 3.339 15.070 511 1HA GLY 77 HA2 GLY 77 129.226 3.310 17.500 512 2HA GLY 77 HA1 GLY 77 129.233 5.069 17.440 513 H GLU 78 HN GLU 78 127.096 2.842 15.756 514 HA GLU 78 HA GLU 78 124.863 2.527 15.790 515 1HB GLU 78 HB2 GLU 78 125.567 2.299 18.314 516 2HB GLU 78 HB1 GLU 78 124.612 3.766 18.483 517 1HG GLU 78 HG2 GLU 78 122.776 2.467 17.243 518 2HG GLU 78 HG1 GLU 78 123.729 1.036 17.633 519 H GLU 79 HN GLU 79 125.308 4.532 14.235 520 HA GLU 79 HA GLU 79 124.356 6.382 13.314 521 1HB GLU 79 HB2 GLU 79 122.362 5.473 15.226 522 2HB GLU 79 HB1 GLU 79 122.316 7.218 15.018 523 1HG GLU 79 HG2 GLU 79 122.540 6.051 12.450 524 2HG GLU 79 HG1 GLU 79 121.279 5.187 13.327 Start of MODEL 9 1 H THR 13 H THR 13 76.579 -1.249 -0.891 2 HA THR 13 HA THR 13 76.464 -3.357 -2.910 3 HB THR 13 HB THR 13 78.817 -3.605 -2.201 4 HG1 THR 13 HG1 THR 13 78.876 -2.949 -0.131 5 1HG2 THR 13 HG21 THR 13 79.365 -0.975 -2.612 6 2HG2 THR 13 HG22 THR 13 77.761 -1.129 -3.328 7 3HG2 THR 13 HG23 THR 13 79.076 -2.164 -3.882 8 H PHE 14 HN PHE 14 77.004 -5.509 -2.232 9 HA PHE 14 HA PHE 14 76.170 -6.118 0.539 10 1HB PHE 14 HB2 PHE 14 74.787 -6.817 -1.713 11 2HB PHE 14 HB1 PHE 14 75.801 -8.238 -1.480 12 HD1 PHE 14 HD1 PHE 14 75.621 -9.562 0.579 13 HD2 PHE 14 HD2 PHE 14 73.004 -6.304 -0.223 14 HE1 PHE 14 HE1 PHE 14 74.086 -10.371 2.323 15 HE2 PHE 14 HE2 PHE 14 71.463 -7.107 1.517 16 HZ PHE 14 HZ PHE 14 72.004 -9.143 2.795 17 H LEU 15 HN LEU 15 77.829 -7.641 -2.235 18 HA LEU 15 HA LEU 15 79.364 -9.405 -0.637 19 1HB LEU 15 HB2 LEU 15 80.069 -8.451 -3.407 20 2HB LEU 15 HB1 LEU 15 80.530 -9.961 -2.645 21 HG LEU 15 HG LEU 15 77.628 -9.570 -2.862 22 1HD1 LEU 15 HD11 LEU 15 78.542 -8.508 -4.965 23 2HD1 LEU 15 HD12 LEU 15 77.425 -9.853 -5.194 24 3HD1 LEU 15 HD13 LEU 15 79.159 -10.104 -5.393 25 1HD2 LEU 15 HD21 LEU 15 77.707 -11.780 -2.681 26 2HD2 LEU 15 HD22 LEU 15 79.462 -11.672 -2.559 27 3HD2 LEU 15 HD23 LEU 15 78.700 -11.911 -4.131 28 H THR 16 HN THR 16 79.858 -6.131 -1.735 29 HA THR 16 HA THR 16 82.631 -5.930 -1.412 30 HB THR 16 HB THR 16 80.702 -3.689 -0.840 31 HG1 THR 16 HG1 THR 16 81.467 -4.765 -3.345 32 1HG2 THR 16 HG21 THR 16 82.734 -2.713 -0.621 33 2HG2 THR 16 HG22 THR 16 82.547 -2.579 -2.369 34 3HG2 THR 16 HG23 THR 16 83.532 -3.871 -1.684 35 H GLN 17 HN GLN 17 80.154 -6.242 0.946 36 HA GLN 17 HA GLN 17 81.239 -4.856 3.108 37 1HB GLN 17 HB2 GLN 17 79.324 -7.078 2.758 38 2HB GLN 17 HB1 GLN 17 80.081 -6.976 4.341 39 1HG GLN 17 HG2 GLN 17 78.633 -4.711 2.990 40 2HG GLN 17 HG1 GLN 17 77.921 -5.790 4.191 41 1HE2 GLN 17 HE21 GLN 17 80.216 -3.235 3.627 42 2HE2 GLN 17 HE22 GLN 17 80.437 -2.793 5.282 43 H VAL 18 HN VAL 18 81.567 -8.338 2.395 44 HA VAL 18 HA VAL 18 83.416 -8.949 4.380 45 HB VAL 18 HB VAL 18 83.327 -10.202 1.633 46 1HG1 VAL 18 HG11 VAL 18 84.386 -11.096 4.298 47 2HG1 VAL 18 HG12 VAL 18 85.228 -11.008 2.750 48 3HG1 VAL 18 HG13 VAL 18 83.995 -12.242 3.015 49 1HG2 VAL 18 HG21 VAL 18 81.215 -10.007 3.415 50 2HG2 VAL 18 HG22 VAL 18 81.892 -11.606 3.729 51 3HG2 VAL 18 HG23 VAL 18 81.374 -11.172 2.100 52 H LYS 19 HN LYS 19 83.866 -7.583 1.189 53 HA LYS 19 HA LYS 19 86.679 -7.823 1.033 54 1HB LYS 19 HB2 LYS 19 84.839 -5.786 -0.220 55 2HB LYS 19 HB1 LYS 19 86.504 -6.079 -0.700 56 1HG LYS 19 HG2 LYS 19 85.175 -8.567 -0.779 57 2HG LYS 19 HG1 LYS 19 84.125 -7.389 -1.568 58 1HD LYS 19 HD2 LYS 19 87.052 -7.690 -2.212 59 2HD LYS 19 HD1 LYS 19 85.777 -8.556 -3.072 60 1HE LYS 19 HE2 LYS 19 84.885 -5.957 -3.105 61 2HE LYS 19 HE1 LYS 19 86.630 -5.773 -3.283 62 1HZ LYS 19 HZ1 LYS 19 85.240 -7.762 -4.933 63 2HZ LYS 19 HZ2 LYS 19 86.635 -6.869 -5.274 64 3HZ LYS 19 HZ3 LYS 19 85.116 -6.128 -5.355 65 H GLU 20 HN GLU 20 84.681 -4.957 1.691 66 HA GLU 20 HA GLU 20 86.744 -3.269 2.501 67 1HB GLU 20 HB2 GLU 20 83.862 -3.281 3.420 68 2HB GLU 20 HB1 GLU 20 84.985 -1.944 3.626 69 1HG GLU 20 HG2 GLU 20 85.200 -2.201 1.003 70 2HG GLU 20 HG1 GLU 20 83.592 -2.900 1.192 71 H SER 21 HN SER 21 85.280 -5.929 4.107 72 HA SER 21 HA SER 21 85.948 -5.150 6.778 73 1HB SER 21 HB2 SER 21 84.357 -7.081 5.576 74 2HB SER 21 HB1 SER 21 85.652 -8.011 6.327 75 HG SER 21 HG SER 21 84.665 -7.690 8.144 76 H LEU 22 HN LEU 22 87.214 -7.685 4.610 77 HA LEU 22 HA LEU 22 89.460 -8.275 6.222 78 1HB LEU 22 HB2 LEU 22 88.318 -9.231 3.811 79 2HB LEU 22 HB1 LEU 22 89.990 -8.842 3.461 80 HG LEU 22 HG LEU 22 90.221 -10.236 5.810 81 1HD1 LEU 22 HD11 LEU 22 87.779 -11.137 4.374 82 2HD1 LEU 22 HD12 LEU 22 88.125 -11.096 6.102 83 3HD1 LEU 22 HD13 LEU 22 88.834 -12.354 5.090 84 1HD2 LEU 22 HD21 LEU 22 90.587 -12.200 4.020 85 2HD2 LEU 22 HD22 LEU 22 91.738 -10.887 4.266 86 3HD2 LEU 22 HD23 LEU 22 90.582 -10.809 2.936 87 H SER 23 HN SER 23 88.861 -5.930 3.710 88 HA SER 23 HA SER 23 91.609 -5.237 3.311 89 1HB SER 23 HB2 SER 23 89.423 -4.826 1.818 90 2HB SER 23 HB1 SER 23 89.469 -3.277 2.659 91 H SER 24 HN SER 24 88.992 -4.062 5.324 92 HA SER 24 HA SER 24 90.189 -1.669 6.185 93 1HB SER 24 HB2 SER 24 88.092 -3.471 7.345 94 2HB SER 24 HB1 SER 24 88.706 -2.103 8.273 95 HG SER 24 HG SER 24 87.546 -1.976 5.684 96 H TYR 25 HN TYR 25 90.500 -4.998 7.277 97 HA TYR 25 HA TYR 25 91.778 -4.641 9.704 98 1HB TYR 25 HB2 TYR 25 91.090 -6.734 8.071 99 2HB TYR 25 HB1 TYR 25 92.846 -6.800 8.030 100 HD1 TYR 25 HD1 TYR 25 89.970 -7.824 9.776 101 HD2 TYR 25 HD2 TYR 25 94.019 -6.676 10.391 102 HE1 TYR 25 HE1 TYR 25 89.961 -8.980 11.946 103 HE2 TYR 25 HE2 TYR 25 94.023 -7.829 12.563 104 HH TYR 25 HH TYR 25 92.389 -9.987 13.502 105 H TRP 26 HN TRP 26 93.017 -4.570 6.420 106 HA TRP 26 HA TRP 26 95.728 -3.958 7.360 107 1HB TRP 26 HB2 TRP 26 94.556 -4.776 4.712 108 2HB TRP 26 HB1 TRP 26 96.157 -4.047 4.799 109 HD1 TRP 26 HD1 TRP 26 94.645 -6.708 7.178 110 HE1 TRP 26 HE1 TRP 26 96.214 -8.748 7.181 111 HE3 TRP 26 HE3 TRP 26 98.004 -5.156 3.650 112 HZ2 TRP 26 HZ2 TRP 26 98.562 -9.589 5.861 113 HZ3 TRP 26 HZ3 TRP 26 99.883 -6.639 3.078 114 HH2 TRP 26 HH2 TRP 26 100.155 -8.809 4.161 115 H GLU 27 HN GLU 27 92.891 -2.413 6.232 116 HA GLU 27 HA GLU 27 94.059 -0.195 4.903 117 1HB GLU 27 HB2 GLU 27 91.609 -1.017 4.885 118 2HB GLU 27 HB1 GLU 27 91.434 -0.080 6.362 119 1HG GLU 27 HG2 GLU 27 92.714 1.475 4.304 120 2HG GLU 27 HG1 GLU 27 91.177 0.822 3.742 121 H SER 28 HN SER 28 93.522 -0.945 8.264 122 HA SER 28 HA SER 28 93.672 1.678 9.285 123 1HB SER 28 HB2 SER 28 93.076 0.531 11.094 124 2HB SER 28 HB1 SER 28 93.502 -0.994 10.329 125 HG SER 28 HG SER 28 94.726 0.188 12.332 126 H ALA 29 HN ALA 29 96.122 -0.832 8.780 127 HA ALA 29 HA ALA 29 98.287 0.663 9.825 128 1HB ALA 29 HB1 ALA 29 98.222 -1.840 9.333 129 2HB ALA 29 HB2 ALA 29 99.705 -0.986 8.905 130 3HB ALA 29 HB3 ALA 29 98.537 -1.406 7.653 131 H LYS 30 HN LYS 30 96.742 0.456 6.707 132 HA LYS 30 HA LYS 30 98.683 2.066 5.331 133 1HB LYS 30 HB2 LYS 30 95.838 1.486 4.494 134 2HB LYS 30 HB1 LYS 30 97.176 1.977 3.463 135 1HG LYS 30 HG2 LYS 30 97.532 -0.519 5.008 136 2HG LYS 30 HG1 LYS 30 96.363 -0.550 3.686 137 1HD LYS 30 HD2 LYS 30 97.973 -0.130 2.078 138 2HD LYS 30 HD1 LYS 30 99.081 0.609 3.235 139 1HE LYS 30 HE2 LYS 30 98.537 -2.146 3.915 140 2HE LYS 30 HE1 LYS 30 99.148 -2.005 2.267 141 1HZ LYS 30 HZ1 LYS 30 100.450 -0.870 4.683 142 2HZ LYS 30 HZ2 LYS 30 101.043 -0.776 3.102 143 3HZ LYS 30 HZ3 LYS 30 100.936 -2.275 3.877 144 H THR 31 HN THR 31 95.994 2.672 7.396 145 HA THR 31 HA THR 31 95.149 5.164 6.419 146 HB THR 31 HB THR 31 95.159 4.128 9.254 147 HG1 THR 31 HG1 THR 31 92.989 3.560 8.721 148 1HG2 THR 31 HG21 THR 31 93.913 5.843 9.920 149 2HG2 THR 31 HG22 THR 31 93.019 5.914 8.401 150 3HG2 THR 31 HG23 THR 31 94.608 6.669 8.526 151 H ALA 32 HN ALA 32 97.697 4.262 8.710 152 HA ALA 32 HA ALA 32 98.385 6.828 9.581 153 1HB ALA 32 HB1 ALA 32 100.413 4.651 9.171 154 2HB ALA 32 HB2 ALA 32 99.203 4.561 10.449 155 3HB ALA 32 HB3 ALA 32 100.361 5.890 10.426 156 H ALA 33 HN ALA 33 98.802 5.314 6.552 157 HA ALA 33 HA ALA 33 100.961 7.058 5.686 158 1HB ALA 33 HB1 ALA 33 101.222 5.071 4.598 159 2HB ALA 33 HB2 ALA 33 100.228 5.911 3.409 160 3HB ALA 33 HB3 ALA 33 99.489 4.757 4.519 161 H GLN 34 HN GLN 34 97.495 6.839 5.521 162 HA GLN 34 HA GLN 34 97.040 8.664 3.415 163 1HB GLN 34 HB2 GLN 34 95.461 6.987 4.766 164 2HB GLN 34 HB1 GLN 34 95.092 8.461 5.648 165 1HG GLN 34 HG2 GLN 34 94.992 9.037 2.868 166 2HG GLN 34 HG1 GLN 34 94.056 7.575 3.170 167 1HE2 GLN 34 HE21 GLN 34 92.004 8.178 3.179 168 2HE2 GLN 34 HE22 GLN 34 91.339 9.482 4.096 169 H ASN 35 HN ASN 35 97.779 9.043 6.767 170 HA ASN 35 HA ASN 35 96.919 11.761 6.986 171 1HB ASN 35 HB2 ASN 35 97.660 9.715 8.701 172 2HB ASN 35 HB1 ASN 35 98.952 10.898 8.879 173 1HD2 ASN 35 HD21 ASN 35 97.102 10.190 10.889 174 2HD2 ASN 35 HD22 ASN 35 96.163 11.589 11.267 175 H LEU 36 HN LEU 36 100.058 10.140 6.674 176 HA LEU 36 HA LEU 36 101.554 12.550 6.621 177 1HB LEU 36 HB2 LEU 36 101.991 9.837 6.965 178 2HB LEU 36 HB1 LEU 36 102.873 10.238 5.509 179 HG LEU 36 HG LEU 36 103.212 11.634 8.164 180 1HD1 LEU 36 HD11 LEU 36 105.476 10.499 8.059 181 2HD1 LEU 36 HD12 LEU 36 104.783 9.457 6.817 182 3HD1 LEU 36 HD13 LEU 36 104.095 9.472 8.440 183 1HD2 LEU 36 HD21 LEU 36 104.694 13.038 7.191 184 2HD2 LEU 36 HD22 LEU 36 103.711 12.714 5.764 185 3HD2 LEU 36 HD23 LEU 36 105.222 11.841 6.009 186 H TYR 37 HN TYR 37 100.162 10.500 4.086 187 HA TYR 37 HA TYR 37 100.990 12.534 2.137 188 1HB TYR 37 HB2 TYR 37 101.763 9.629 2.009 189 2HB TYR 37 HB1 TYR 37 101.691 10.633 0.565 190 HD1 TYR 37 HD1 TYR 37 103.428 10.081 3.754 191 HD2 TYR 37 HD2 TYR 37 103.361 12.316 0.138 192 HE1 TYR 37 HE1 TYR 37 105.688 10.916 4.238 193 HE2 TYR 37 HE2 TYR 37 105.626 13.153 0.607 194 HH TYR 37 HH TYR 37 107.007 13.457 3.040 195 H GLU 38 HN GLU 38 98.548 10.689 3.307 196 HA GLU 38 HA GLU 38 96.397 10.389 2.606 197 1HB GLU 38 HB2 GLU 38 97.049 12.561 1.262 198 2HB GLU 38 HB1 GLU 38 96.997 11.465 -0.111 199 1HG GLU 38 HG2 GLU 38 94.760 11.321 -0.079 200 2HG GLU 38 HG1 GLU 38 94.684 11.298 1.683 201 H LYS 39 HN LYS 39 98.551 8.480 2.238 202 HA LYS 39 HA LYS 39 98.978 6.475 1.240 203 1HB LYS 39 HB2 LYS 39 96.078 6.800 1.367 204 2HB LYS 39 HB1 LYS 39 96.589 5.656 0.135 205 1HG LYS 39 HG2 LYS 39 97.930 5.316 2.712 206 2HG LYS 39 HG1 LYS 39 96.185 5.063 2.758 207 1HD LYS 39 HD2 LYS 39 96.506 3.025 1.927 208 2HD LYS 39 HD1 LYS 39 97.102 3.765 0.439 209 1HE LYS 39 HE2 LYS 39 99.032 3.632 2.661 210 2HE LYS 39 HE1 LYS 39 98.545 2.079 1.985 211 1HZ LYS 39 HZ1 LYS 39 100.298 2.620 0.646 212 2HZ LYS 39 HZ2 LYS 39 100.003 4.284 0.711 213 3HZ LYS 39 HZ3 LYS 39 99.031 3.291 -0.255 214 H THR 40 HN THR 40 99.015 8.996 -0.465 215 HA THR 40 HA THR 40 98.543 7.809 -3.102 216 HB THR 40 HB THR 40 99.398 10.624 -2.928 217 HG1 THR 40 HG1 THR 40 96.918 9.757 -1.865 218 1HG2 THR 40 HG21 THR 40 98.639 9.835 -5.030 219 2HG2 THR 40 HG22 THR 40 97.407 10.924 -4.392 220 3HG2 THR 40 HG23 THR 40 97.167 9.178 -4.316 221 H TYR 41 HN TYR 41 100.983 9.934 -1.619 222 HA TYR 41 HA TYR 41 102.977 9.571 -3.509 223 1HB TYR 41 HB2 TYR 41 102.682 10.972 -1.148 224 2HB TYR 41 HB1 TYR 41 103.999 9.863 -0.793 225 HD1 TYR 41 HD1 TYR 41 102.905 12.204 -3.496 226 HD2 TYR 41 HD2 TYR 41 106.149 10.558 -1.290 227 HE1 TYR 41 HE1 TYR 41 104.458 13.706 -4.670 228 HE2 TYR 41 HE2 TYR 41 107.711 12.055 -2.459 229 HH TYR 41 HH TYR 41 106.726 13.987 -5.177 230 H LEU 42 HN LEU 42 101.884 7.406 -1.064 231 HA LEU 42 HA LEU 42 104.285 5.877 -0.864 232 1HB LEU 42 HB2 LEU 42 101.855 6.002 0.509 233 2HB LEU 42 HB1 LEU 42 101.895 4.394 -0.189 234 HG LEU 42 HG LEU 42 104.317 5.341 1.261 235 1HD1 LEU 42 HD11 LEU 42 103.278 4.423 3.370 236 2HD1 LEU 42 HD12 LEU 42 101.719 4.562 2.558 237 3HD1 LEU 42 HD13 LEU 42 102.694 6.002 2.844 238 1HD2 LEU 42 HD21 LEU 42 103.015 2.792 0.504 239 2HD2 LEU 42 HD22 LEU 42 103.909 2.819 2.024 240 3HD2 LEU 42 HD23 LEU 42 104.722 3.238 0.516 241 HA PRO 43 HA PRO 43 101.441 2.624 -3.489 242 1HB PRO 43 HB2 PRO 43 100.472 4.822 -5.241 243 2HB PRO 43 HB1 PRO 43 99.669 3.332 -4.753 244 1HG PRO 43 HG2 PRO 43 99.239 5.847 -3.644 245 2HG PRO 43 HG1 PRO 43 98.764 4.302 -2.926 246 1HD PRO 43 HD2 PRO 43 100.714 6.149 -1.970 247 2HD PRO 43 HD1 PRO 43 100.306 4.561 -1.299 248 H ALA 44 HN ALA 44 102.140 5.468 -5.525 249 HA ALA 44 HA ALA 44 104.738 4.812 -6.266 250 1HB ALA 44 HB1 ALA 44 103.159 3.988 -8.596 251 2HB ALA 44 HB2 ALA 44 103.096 2.873 -7.233 252 3HB ALA 44 HB3 ALA 44 104.650 3.316 -7.939 253 H VAL 45 HN VAL 45 104.489 7.154 -5.979 254 HA VAL 45 HA VAL 45 103.290 8.521 -8.289 255 HB VAL 45 HB VAL 45 104.253 9.709 -5.683 256 1HG1 VAL 45 HG11 VAL 45 102.332 11.163 -7.369 257 2HG1 VAL 45 HG12 VAL 45 103.955 11.010 -8.041 258 3HG1 VAL 45 HG13 VAL 45 103.723 11.754 -6.460 259 1HG2 VAL 45 HG21 VAL 45 101.879 9.934 -5.128 260 2HG2 VAL 45 HG22 VAL 45 102.336 8.243 -5.339 261 3HG2 VAL 45 HG23 VAL 45 101.452 9.084 -6.612 262 H ASP 46 HN ASP 46 106.109 9.163 -6.193 263 HA ASP 46 HA ASP 46 107.529 10.408 -8.343 264 1HB ASP 46 HB2 ASP 46 107.664 10.804 -5.735 265 2HB ASP 46 HB1 ASP 46 108.906 9.559 -5.832 266 H GLU 47 HN GLU 47 107.342 7.206 -7.062 267 HA GLU 47 HA GLU 47 109.848 6.317 -8.144 268 1HB GLU 47 HB2 GLU 47 107.492 4.643 -7.288 269 2HB GLU 47 HB1 GLU 47 109.154 4.110 -7.477 270 1HG GLU 47 HG2 GLU 47 109.780 5.699 -5.649 271 2HG GLU 47 HG1 GLU 47 108.056 5.975 -5.391 272 H LYS 48 HN LYS 48 106.433 5.759 -9.003 273 HA LYS 48 HA LYS 48 106.864 4.255 -11.301 274 1HB LYS 48 HB2 LYS 48 104.656 5.407 -10.007 275 2HB LYS 48 HB1 LYS 48 104.614 6.040 -11.647 276 1HG LYS 48 HG2 LYS 48 105.089 3.418 -12.126 277 2HG LYS 48 HG1 LYS 48 104.121 3.324 -10.654 278 1HD LYS 48 HD2 LYS 48 103.171 5.158 -12.779 279 2HD LYS 48 HD1 LYS 48 103.037 3.426 -13.092 280 1HE LYS 48 HE2 LYS 48 101.058 3.694 -12.031 281 2HE LYS 48 HE1 LYS 48 102.066 3.493 -10.599 282 1HZ LYS 48 HZ1 LYS 48 101.880 6.208 -11.574 283 2HZ LYS 48 HZ2 LYS 48 101.765 5.613 -9.995 284 3HZ LYS 48 HZ3 LYS 48 100.418 5.565 -11.016 285 H LEU 49 HN LEU 49 106.993 7.705 -10.781 286 HA LEU 49 HA LEU 49 107.313 8.270 -13.605 287 1HB LEU 49 HB2 LEU 49 106.940 10.450 -13.084 288 2HB LEU 49 HB1 LEU 49 106.183 9.711 -11.687 289 HG LEU 49 HG LEU 49 108.543 10.028 -10.591 290 1HD1 LEU 49 HD11 LEU 49 108.911 12.514 -11.967 291 2HD1 LEU 49 HD12 LEU 49 108.996 11.176 -13.112 292 3HD1 LEU 49 HD13 LEU 49 110.057 11.200 -11.705 293 1HD2 LEU 49 HD21 LEU 49 106.745 12.398 -11.077 294 2HD2 LEU 49 HD22 LEU 49 107.827 12.147 -9.707 295 3HD2 LEU 49 HD23 LEU 49 106.417 11.111 -9.918 296 H ARG 50 HN ARG 50 109.293 7.457 -10.937 297 HA ARG 50 HA ARG 50 111.666 7.768 -12.568 298 1HB ARG 50 HB2 ARG 50 110.989 9.763 -10.667 299 2HB ARG 50 HB1 ARG 50 112.346 8.862 -10.008 300 1HG ARG 50 HG2 ARG 50 113.781 9.556 -11.632 301 2HG ARG 50 HG1 ARG 50 112.506 9.725 -12.841 302 1HD ARG 50 HD2 ARG 50 111.879 11.813 -12.081 303 2HD ARG 50 HD1 ARG 50 112.539 11.539 -10.469 304 HE ARG 50 HE ARG 50 114.730 11.533 -12.067 305 1HH1 ARG 50 HH11 ARG 50 112.093 13.771 -11.600 306 2HH1 ARG 50 HH12 ARG 50 113.042 15.166 -11.986 307 1HH2 ARG 50 HH21 ARG 50 115.981 13.367 -12.577 308 2HH2 ARG 50 HH22 ARG 50 115.249 14.937 -12.542 309 H ASP 51 HN ASP 51 111.859 5.543 -12.449 310 HA ASP 51 HA ASP 51 112.980 4.553 -9.950 311 1HB ASP 51 HB2 ASP 51 110.371 3.763 -10.985 312 2HB ASP 51 HB1 ASP 51 111.453 2.389 -10.788 313 H LEU 52 HN LEU 52 111.980 3.446 -13.194 314 HA LEU 52 HA LEU 52 113.846 1.464 -13.579 315 1HB LEU 52 HB2 LEU 52 113.622 1.904 -15.999 316 2HB LEU 52 HB1 LEU 52 112.079 1.839 -15.167 317 HG LEU 52 HG LEU 52 112.676 4.530 -15.107 318 1HD1 LEU 52 HD11 LEU 52 113.261 5.112 -17.420 319 2HD1 LEU 52 HD12 LEU 52 113.551 3.405 -17.762 320 3HD1 LEU 52 HD13 LEU 52 114.564 4.255 -16.595 321 1HD2 LEU 52 HD21 LEU 52 110.606 3.014 -15.857 322 2HD2 LEU 52 HD22 LEU 52 111.168 3.531 -17.447 323 3HD2 LEU 52 HD23 LEU 52 110.722 4.732 -16.235 324 H TYR 53 HN TYR 53 114.284 4.910 -13.681 325 HA TYR 53 HA TYR 53 116.966 4.746 -14.800 326 1HB TYR 53 HB2 TYR 53 115.069 6.648 -14.978 327 2HB TYR 53 HB1 TYR 53 115.966 7.267 -13.595 328 HD1 TYR 53 HD1 TYR 53 118.352 7.877 -13.845 329 HD2 TYR 53 HD2 TYR 53 115.985 6.722 -17.184 330 HE1 TYR 53 HE1 TYR 53 120.043 8.820 -15.361 331 HE2 TYR 53 HE2 TYR 53 117.667 7.663 -18.711 332 HH TYR 53 HH TYR 53 120.778 8.666 -17.625 333 H SER 54 HN SER 54 115.501 5.968 -11.793 334 HA SER 54 HA SER 54 118.099 5.990 -10.483 335 1HB SER 54 HB2 SER 54 115.933 7.642 -10.292 336 2HB SER 54 HB1 SER 54 115.728 6.629 -8.863 337 HG SER 54 HG SER 54 117.070 8.133 -8.130 338 H LYS 55 HN LYS 55 116.887 3.400 -11.172 339 HA LYS 55 HA LYS 55 117.170 2.188 -8.556 340 1HB LYS 55 HB2 LYS 55 114.661 2.725 -9.086 341 2HB LYS 55 HB1 LYS 55 114.780 1.318 -10.135 342 1HG LYS 55 HG2 LYS 55 115.737 0.143 -8.034 343 2HG LYS 55 HG1 LYS 55 114.985 1.479 -7.161 344 1HD LYS 55 HD2 LYS 55 113.203 0.082 -7.157 345 2HD LYS 55 HD1 LYS 55 112.942 0.784 -8.756 346 1HE LYS 55 HE2 LYS 55 114.688 -1.620 -8.482 347 2HE LYS 55 HE1 LYS 55 112.938 -1.817 -8.411 348 1HZ LYS 55 HZ1 LYS 55 114.636 -1.070 -10.660 349 2HZ LYS 55 HZ2 LYS 55 113.127 -0.309 -10.566 350 3HZ LYS 55 HZ3 LYS 55 113.219 -1.997 -10.632 351 H SER 56 HN SER 56 116.455 1.644 -11.991 352 HA SER 56 HA SER 56 117.651 -0.992 -11.908 353 1HB SER 56 HB2 SER 56 115.765 0.209 -13.532 354 2HB SER 56 HB1 SER 56 117.191 0.128 -14.566 355 HG SER 56 HG SER 56 115.896 -2.006 -13.224 356 H THR 57 HN THR 57 118.823 2.135 -12.145 357 HA THR 57 HA THR 57 121.245 1.216 -13.548 358 HB THR 57 HB THR 57 120.141 4.024 -13.351 359 HG1 THR 57 HG1 THR 57 120.334 2.307 -15.595 360 1HG2 THR 57 HG21 THR 57 122.606 3.944 -13.498 361 2HG2 THR 57 HG22 THR 57 121.831 4.697 -14.892 362 3HG2 THR 57 HG23 THR 57 122.446 3.049 -15.009 363 H ALA 58 HN ALA 58 119.951 2.958 -10.785 364 HA ALA 58 HA ALA 58 122.664 3.248 -9.694 365 1HB ALA 58 HB1 ALA 58 120.151 4.503 -8.616 366 2HB ALA 58 HB2 ALA 58 121.158 5.258 -9.853 367 3HB ALA 58 HB3 ALA 58 121.823 4.934 -8.252 368 H ALA 59 HN ALA 59 119.397 2.321 -8.602 369 HA ALA 59 HA ALA 59 120.293 1.172 -6.180 370 1HB ALA 59 HB1 ALA 59 117.937 1.910 -6.731 371 2HB ALA 59 HB2 ALA 59 118.093 0.374 -5.881 372 3HB ALA 59 HB3 ALA 59 117.768 0.394 -7.613 373 H MET 60 HN MET 60 120.711 0.127 -9.345 374 HA MET 60 HA MET 60 120.607 -2.707 -8.728 375 1HB MET 60 HB2 MET 60 121.022 -1.071 -11.183 376 2HB MET 60 HB1 MET 60 121.673 -2.704 -11.165 377 1HG MET 60 HG2 MET 60 118.852 -2.305 -10.331 378 2HG MET 60 HG1 MET 60 119.249 -2.182 -12.044 379 1HE MET 60 HE1 MET 60 119.437 -4.112 -13.587 380 2HE MET 60 HE2 MET 60 120.130 -5.673 -13.148 381 3HE MET 60 HE3 MET 60 121.101 -4.208 -13.013 382 H SER 61 HN SER 61 123.084 -0.358 -9.749 383 HA SER 61 HA SER 61 125.198 -2.250 -9.146 384 1HB SER 61 HB2 SER 61 126.709 -0.563 -10.025 385 2HB SER 61 HB1 SER 61 125.339 -0.745 -11.120 386 HG SER 61 HG SER 61 125.949 1.467 -10.607 387 H THR 62 HN THR 62 123.592 0.401 -7.610 388 HA THR 62 HA THR 62 125.716 0.851 -5.694 389 HB THR 62 HB THR 62 122.900 1.944 -5.669 390 HG1 THR 62 HG1 THR 62 123.582 2.883 -7.429 391 1HG2 THR 62 HG21 THR 62 125.428 2.966 -4.398 392 2HG2 THR 62 HG22 THR 62 124.040 2.273 -3.560 393 3HG2 THR 62 HG23 THR 62 123.876 3.803 -4.422 394 H TYR 63 HN TYR 63 123.247 -1.417 -6.005 395 HA TYR 63 HA TYR 63 122.422 -1.646 -3.297 396 1HB TYR 63 HB2 TYR 63 121.763 -2.765 -5.777 397 2HB TYR 63 HB1 TYR 63 122.290 -4.110 -4.776 398 HD1 TYR 63 HD1 TYR 63 120.104 -1.087 -4.516 399 HD2 TYR 63 HD2 TYR 63 120.686 -5.177 -3.496 400 HE1 TYR 63 HE1 TYR 63 117.908 -1.119 -3.413 401 HE2 TYR 63 HE2 TYR 63 118.490 -5.219 -2.391 402 HH TYR 63 HH TYR 63 116.288 -3.869 -2.619 403 H THR 64 HN THR 64 125.049 -2.939 -5.206 404 HA THR 64 HA THR 64 125.861 -5.055 -3.581 405 HB THR 64 HB THR 64 128.055 -3.474 -4.744 406 HG1 THR 64 HG1 THR 64 126.853 -2.933 -6.403 407 1HG2 THR 64 HG21 THR 64 128.919 -5.465 -5.319 408 2HG2 THR 64 HG22 THR 64 127.359 -6.125 -5.810 409 3HG2 THR 64 HG23 THR 64 127.792 -6.062 -4.102 410 H GLY 65 HN GLY 65 125.985 -1.684 -3.096 411 1HA GLY 65 HA2 GLY 65 127.926 -1.899 -0.917 412 2HA GLY 65 HA1 GLY 65 127.285 -0.405 -1.590 413 H ILE 66 HN ILE 66 124.528 -1.791 -1.469 414 HA ILE 66 HA ILE 66 123.954 -0.899 1.242 415 HB ILE 66 HB ILE 66 122.027 -1.775 -0.909 416 1HG1 ILE 66 HG12 ILE 66 123.289 0.197 -1.615 417 2HG1 ILE 66 HG11 ILE 66 121.623 0.633 -1.251 418 1HG2 ILE 66 HG21 ILE 66 120.376 -0.530 0.475 419 2HG2 ILE 66 HG22 ILE 66 121.612 -0.369 1.722 420 3HG2 ILE 66 HG23 ILE 66 121.029 -1.967 1.259 421 1HD1 ILE 66 HD11 ILE 66 123.949 1.025 0.614 422 2HD1 ILE 66 HD12 ILE 66 122.288 1.561 0.869 423 3HD1 ILE 66 HD13 ILE 66 123.256 2.270 -0.423 424 H PHE 67 HN PHE 67 124.529 -3.783 -0.420 425 HA PHE 67 HA PHE 67 122.839 -5.559 0.965 426 1HB PHE 67 HB2 PHE 67 124.558 -5.721 -1.136 427 2HB PHE 67 HB1 PHE 67 125.454 -6.584 0.108 428 HD1 PHE 67 HD1 PHE 67 125.059 -8.833 0.408 429 HD2 PHE 67 HD2 PHE 67 122.043 -6.422 -1.382 430 HE1 PHE 67 HE1 PHE 67 123.697 -10.843 0.007 431 HE2 PHE 67 HE2 PHE 67 120.675 -8.428 -1.787 432 HZ PHE 67 HZ PHE 67 121.501 -10.641 -1.091 433 H THR 68 HN THR 68 126.336 -5.093 1.340 434 HA THR 68 HA THR 68 126.420 -6.442 3.850 435 HB THR 68 HB THR 68 128.666 -4.647 3.299 436 HG1 THR 68 HG1 THR 68 129.266 -5.537 1.379 437 1HG2 THR 68 HG21 THR 68 129.912 -6.813 3.280 438 2HG2 THR 68 HG22 THR 68 128.377 -7.619 3.606 439 3HG2 THR 68 HG23 THR 68 129.032 -6.464 4.768 440 H ASP 69 HN ASP 69 125.899 -3.156 2.880 441 HA ASP 69 HA ASP 69 126.710 -1.746 5.119 442 1HB ASP 69 HB2 ASP 69 125.085 -1.255 2.819 443 2HB ASP 69 HB1 ASP 69 124.271 -0.591 4.231 444 H GLN 70 HN GLN 70 124.029 -3.893 4.753 445 HA GLN 70 HA GLN 70 122.821 -2.975 7.255 446 1HB GLN 70 HB2 GLN 70 121.413 -3.439 5.219 447 2HB GLN 70 HB1 GLN 70 121.828 -5.140 5.398 448 1HG GLN 70 HG2 GLN 70 120.257 -5.433 6.925 449 2HG GLN 70 HG1 GLN 70 120.856 -4.080 7.884 450 1HE2 GLN 70 HE21 GLN 70 120.426 -1.941 6.333 451 2HE2 GLN 70 HE22 GLN 70 118.741 -1.740 6.011 452 H VAL 71 HN VAL 71 125.365 -4.756 6.682 453 HA VAL 71 HA VAL 71 124.650 -6.978 8.479 454 HB VAL 71 HB VAL 71 126.994 -6.655 6.603 455 1HG1 VAL 71 HG11 VAL 71 126.829 -9.322 7.357 456 2HG1 VAL 71 HG12 VAL 71 126.583 -8.429 8.858 457 3HG1 VAL 71 HG13 VAL 71 128.033 -8.150 7.894 458 1HG2 VAL 71 HG21 VAL 71 125.893 -8.649 5.485 459 2HG2 VAL 71 HG22 VAL 71 125.076 -7.096 5.308 460 3HG2 VAL 71 HG23 VAL 71 124.471 -8.284 6.463 461 H LEU 72 HN LEU 72 127.025 -4.399 7.962 462 HA LEU 72 HA LEU 72 128.227 -4.988 10.550 463 1HB LEU 72 HB2 LEU 72 129.731 -3.010 9.836 464 2HB LEU 72 HB1 LEU 72 129.928 -4.558 9.045 465 HG LEU 72 HG LEU 72 128.122 -2.558 7.771 466 1HD1 LEU 72 HD11 LEU 72 129.704 -1.005 7.619 467 2HD1 LEU 72 HD12 LEU 72 130.621 -2.132 6.623 468 3HD1 LEU 72 HD13 LEU 72 130.905 -2.061 8.361 469 1HD2 LEU 72 HD21 LEU 72 128.702 -3.663 5.792 470 2HD2 LEU 72 HD22 LEU 72 128.572 -4.956 6.985 471 3HD2 LEU 72 HD23 LEU 72 130.158 -4.359 6.500 472 H SER 73 HN SER 73 125.937 -2.961 9.056 473 HA SER 73 HA SER 73 126.071 -0.794 10.933 474 1HB SER 73 HB2 SER 73 125.240 -0.456 8.643 475 2HB SER 73 HB1 SER 73 123.894 -1.546 8.975 476 HG SER 73 HG SER 73 123.112 0.469 9.336 477 H VAL 74 HN VAL 74 124.673 -3.921 10.877 478 HA VAL 74 HA VAL 74 123.022 -3.238 13.229 479 HB VAL 74 HB VAL 74 122.481 -5.471 11.283 480 1HG1 VAL 74 HG11 VAL 74 120.838 -4.277 13.514 481 2HG1 VAL 74 HG12 VAL 74 121.580 -5.877 13.489 482 3HG1 VAL 74 HG13 VAL 74 120.265 -5.497 12.377 483 1HG2 VAL 74 HG21 VAL 74 121.593 -2.626 11.302 484 2HG2 VAL 74 HG22 VAL 74 120.464 -3.869 10.762 485 3HG2 VAL 74 HG23 VAL 74 122.012 -3.667 9.942 486 H LEU 75 HN LEU 75 125.535 -5.238 11.960 487 HA LEU 75 HA LEU 75 125.348 -6.957 14.359 488 1HB LEU 75 HB2 LEU 75 126.885 -7.702 11.898 489 2HB LEU 75 HB1 LEU 75 126.288 -8.740 13.178 490 HG LEU 75 HG LEU 75 124.493 -7.291 11.235 491 1HD1 LEU 75 HD11 LEU 75 126.193 -9.344 10.584 492 2HD1 LEU 75 HD12 LEU 75 124.698 -8.937 9.742 493 3HD1 LEU 75 HD13 LEU 75 124.698 -10.187 10.986 494 1HD2 LEU 75 HD21 LEU 75 124.089 -9.145 13.514 495 2HD2 LEU 75 HD22 LEU 75 123.050 -9.344 12.104 496 3HD2 LEU 75 HD23 LEU 75 123.095 -7.801 12.955 497 H LYS 76 HN LYS 76 127.314 -4.585 12.841 498 HA LYS 76 HA LYS 76 129.636 -5.455 14.427 499 1HB LYS 76 HB2 LYS 76 129.298 -4.149 11.843 500 2HB LYS 76 HB1 LYS 76 130.485 -3.353 12.862 501 1HG LYS 76 HG2 LYS 76 130.719 -6.276 12.742 502 2HG LYS 76 HG1 LYS 76 131.017 -5.435 11.220 503 1HD LYS 76 HD2 LYS 76 132.725 -4.085 12.232 504 2HD LYS 76 HD1 LYS 76 132.344 -4.725 13.833 505 1HE LYS 76 HE2 LYS 76 133.025 -6.964 13.074 506 2HE LYS 76 HE1 LYS 76 133.450 -6.289 11.502 507 1HZ LYS 76 HZ1 LYS 76 134.783 -5.912 14.102 508 2HZ LYS 76 HZ2 LYS 76 134.946 -4.739 12.894 509 3HZ LYS 76 HZ3 LYS 76 135.457 -6.326 12.605 510 H GLY 77 HN GLY 77 127.100 -3.231 14.419 511 1HA GLY 77 HA2 GLY 77 126.811 -1.894 16.432 512 2HA GLY 77 HA1 GLY 77 128.539 -1.561 16.381 513 H GLU 78 HN GLU 78 126.155 -1.500 13.776 514 HA GLU 78 HA GLU 78 125.477 0.132 12.362 515 1HB GLU 78 HB2 GLU 78 125.102 1.185 14.725 516 2HB GLU 78 HB1 GLU 78 126.424 2.241 14.245 517 1HG GLU 78 HG2 GLU 78 125.149 2.884 12.239 518 2HG GLU 78 HG1 GLU 78 123.813 1.874 12.792 519 H GLU 79 HN GLU 79 127.739 -0.883 11.511 520 HA GLU 79 HA GLU 79 129.618 1.353 11.141 521 1HB GLU 79 HB2 GLU 79 130.159 -1.216 11.803 522 2HB GLU 79 HB1 GLU 79 130.301 -1.306 10.054 523 1HG GLU 79 HG2 GLU 79 131.927 0.527 10.100 524 2HG GLU 79 HG1 GLU 79 131.809 0.568 11.859 Start of MODEL 10 1 H THR 13 H THR 13 78.960 -2.599 18.532 2 HA THR 13 HA THR 13 78.015 -0.677 17.655 3 HB THR 13 HB THR 13 79.330 0.269 15.566 4 HG1 THR 13 HG1 THR 13 81.578 0.158 15.938 5 1HG2 THR 13 HG21 THR 13 79.816 2.072 16.791 6 2HG2 THR 13 HG22 THR 13 80.718 1.145 17.990 7 3HG2 THR 13 HG23 THR 13 78.957 1.214 18.071 8 H PHE 14 HN PHE 14 76.374 -1.473 16.547 9 HA PHE 14 HA PHE 14 76.605 -3.733 14.835 10 1HB PHE 14 HB2 PHE 14 74.532 -2.414 16.166 11 2HB PHE 14 HB1 PHE 14 74.151 -2.221 14.459 12 HD1 PHE 14 HD1 PHE 14 73.849 -4.321 17.251 13 HD2 PHE 14 HD2 PHE 14 74.342 -4.407 13.024 14 HE1 PHE 14 HE1 PHE 14 72.959 -6.614 17.198 15 HE2 PHE 14 HE2 PHE 14 73.451 -6.701 12.964 16 HZ PHE 14 HZ PHE 14 72.758 -7.807 15.053 17 H LEU 15 HN LEU 15 75.598 -0.377 14.149 18 HA LEU 15 HA LEU 15 75.521 -0.569 11.379 19 1HB LEU 15 HB2 LEU 15 76.359 1.873 12.941 20 2HB LEU 15 HB1 LEU 15 75.652 1.839 11.337 21 HG LEU 15 HG LEU 15 74.244 1.033 13.884 22 1HD1 LEU 15 HD11 LEU 15 73.278 3.305 12.296 23 2HD1 LEU 15 HD12 LEU 15 74.822 3.562 13.109 24 3HD1 LEU 15 HD13 LEU 15 73.397 3.106 14.044 25 1HD2 LEU 15 HD21 LEU 15 72.924 1.492 11.241 26 2HD2 LEU 15 HD22 LEU 15 72.354 0.574 12.635 27 3HD2 LEU 15 HD23 LEU 15 73.638 -0.076 11.615 28 H THR 16 HN THR 16 78.218 0.475 13.455 29 HA THR 16 HA THR 16 80.073 1.049 11.471 30 HB THR 16 HB THR 16 80.693 -0.192 14.156 31 HG1 THR 16 HG1 THR 16 80.182 2.504 13.454 32 1HG2 THR 16 HG21 THR 16 82.815 0.144 13.661 33 2HG2 THR 16 HG22 THR 16 82.484 1.869 13.492 34 3HG2 THR 16 HG23 THR 16 82.373 0.808 12.087 35 H GLN 17 HN GLN 17 79.101 -2.035 12.823 36 HA GLN 17 HA GLN 17 81.211 -3.581 11.748 37 1HB GLN 17 HB2 GLN 17 79.628 -4.278 13.587 38 2HB GLN 17 HB1 GLN 17 78.412 -4.539 12.345 39 1HG GLN 17 HG2 GLN 17 80.138 -6.093 11.259 40 2HG GLN 17 HG1 GLN 17 80.960 -6.034 12.818 41 1HE2 GLN 17 HE21 GLN 17 79.284 -6.313 14.701 42 2HE2 GLN 17 HE22 GLN 17 78.246 -7.684 14.529 43 H VAL 18 HN VAL 18 78.450 -2.141 10.328 44 HA VAL 18 HA VAL 18 78.620 -3.871 7.950 45 HB VAL 18 HB VAL 18 76.532 -1.786 8.600 46 1HG1 VAL 18 HG11 VAL 18 75.522 -3.739 6.866 47 2HG1 VAL 18 HG12 VAL 18 77.123 -3.333 6.248 48 3HG1 VAL 18 HG13 VAL 18 75.921 -2.065 6.483 49 1HG2 VAL 18 HG21 VAL 18 76.863 -4.088 9.991 50 2HG2 VAL 18 HG22 VAL 18 75.798 -4.632 8.696 51 3HG2 VAL 18 HG23 VAL 18 75.309 -3.296 9.737 52 H LYS 19 HN LYS 19 78.887 -0.542 9.054 53 HA LYS 19 HA LYS 19 79.161 0.677 6.513 54 1HB LYS 19 HB2 LYS 19 80.089 1.509 9.260 55 2HB LYS 19 HB1 LYS 19 80.229 2.534 7.840 56 1HG LYS 19 HG2 LYS 19 77.760 2.395 7.572 57 2HG LYS 19 HG1 LYS 19 77.691 1.520 9.103 58 1HD LYS 19 HD2 LYS 19 78.179 3.373 10.340 59 2HD LYS 19 HD1 LYS 19 79.151 4.104 9.061 60 1HE LYS 19 HE2 LYS 19 77.389 5.183 8.173 61 2HE LYS 19 HE1 LYS 19 76.305 3.815 8.417 62 1HZ LYS 19 HZ1 LYS 19 76.550 4.542 10.907 63 2HZ LYS 19 HZ2 LYS 19 75.437 5.304 9.886 64 3HZ LYS 19 HZ3 LYS 19 76.923 6.042 10.216 65 H GLU 20 HN GLU 20 81.633 0.060 8.996 66 HA GLU 20 HA GLU 20 83.843 0.559 7.356 67 1HB GLU 20 HB2 GLU 20 83.386 -0.769 9.961 68 2HB GLU 20 HB1 GLU 20 84.863 -1.222 9.122 69 1HG GLU 20 HG2 GLU 20 85.398 1.216 8.939 70 2HG GLU 20 HG1 GLU 20 84.022 1.529 9.996 71 H SER 21 HN SER 21 81.694 -2.111 7.500 72 HA SER 21 HA SER 21 83.445 -4.073 6.382 73 1HB SER 21 HB2 SER 21 80.931 -4.025 7.574 74 2HB SER 21 HB1 SER 21 80.613 -4.514 5.913 75 HG SER 21 HG SER 21 82.425 -6.060 6.301 76 H LEU 22 HN LEU 22 80.653 -2.276 5.078 77 HA LEU 22 HA LEU 22 81.007 -3.097 2.412 78 1HB LEU 22 HB2 LEU 22 79.171 -1.545 3.828 79 2HB LEU 22 HB1 LEU 22 79.854 -0.441 2.650 80 HG LEU 22 HG LEU 22 78.933 -3.106 1.692 81 1HD1 LEU 22 HD11 LEU 22 77.080 -0.822 2.346 82 2HD1 LEU 22 HD12 LEU 22 77.107 -2.400 3.132 83 3HD1 LEU 22 HD13 LEU 22 76.647 -2.268 1.434 84 1HD2 LEU 22 HD21 LEU 22 80.074 -1.242 0.331 85 2HD2 LEU 22 HD22 LEU 22 78.515 -0.422 0.429 86 3HD2 LEU 22 HD23 LEU 22 78.631 -2.007 -0.336 87 H SER 23 HN SER 23 82.228 -0.361 4.246 88 HA SER 23 HA SER 23 83.401 1.029 2.082 89 1HB SER 23 HB2 SER 23 83.545 1.141 5.030 90 2HB SER 23 HB1 SER 23 84.976 1.736 4.188 91 H SER 24 HN SER 24 84.496 -1.571 4.146 92 HA SER 24 HA SER 24 87.214 -1.544 3.391 93 1HB SER 24 HB2 SER 24 85.425 -3.705 4.486 94 2HB SER 24 HB1 SER 24 87.125 -3.990 4.117 95 HG SER 24 HG SER 24 87.463 -3.212 6.035 96 H TYR 25 HN TYR 25 84.339 -2.974 1.968 97 HA TYR 25 HA TYR 25 85.412 -4.779 0.187 98 1HB TYR 25 HB2 TYR 25 82.958 -3.697 0.720 99 2HB TYR 25 HB1 TYR 25 83.276 -3.078 -0.894 100 HD1 TYR 25 HD1 TYR 25 81.433 -5.426 0.542 101 HD2 TYR 25 HD2 TYR 25 84.649 -5.238 -2.235 102 HE1 TYR 25 HE1 TYR 25 80.731 -7.583 -0.405 103 HE2 TYR 25 HE2 TYR 25 83.955 -7.394 -3.193 104 HH TYR 25 HH TYR 25 81.591 -9.399 -1.689 105 H TRP 26 HN TRP 26 85.182 -1.288 0.020 106 HA TRP 26 HA TRP 26 86.561 -1.245 -2.567 107 1HB TRP 26 HB2 TRP 26 84.698 0.543 -1.178 108 2HB TRP 26 HB1 TRP 26 86.074 1.386 -1.884 109 HD1 TRP 26 HD1 TRP 26 86.083 1.722 -4.469 110 HE1 TRP 26 HE1 TRP 26 84.451 1.109 -6.362 111 HE3 TRP 26 HE3 TRP 26 82.946 -1.367 -1.870 112 HZ2 TRP 26 HZ2 TRP 26 82.137 -0.472 -6.708 113 HZ3 TRP 26 HZ3 TRP 26 81.047 -2.389 -3.055 114 HH2 TRP 26 HH2 TRP 26 80.653 -1.949 -5.424 115 H GLU 27 HN GLU 27 87.070 -0.755 0.804 116 HA GLU 27 HA GLU 27 89.344 0.966 0.574 117 1HB GLU 27 HB2 GLU 27 87.790 0.418 2.640 118 2HB GLU 27 HB1 GLU 27 88.975 -0.850 2.918 119 1HG GLU 27 HG2 GLU 27 89.417 1.224 4.182 120 2HG GLU 27 HG1 GLU 27 90.738 0.750 3.115 121 H SER 28 HN SER 28 88.826 -2.502 0.648 122 HA SER 28 HA SER 28 91.511 -3.279 1.035 123 1HB SER 28 HB2 SER 28 90.060 -5.034 1.388 124 2HB SER 28 HB1 SER 28 89.047 -4.625 0.004 125 HG SER 28 HG SER 28 91.690 -5.628 -0.221 126 H ALA 29 HN ALA 29 89.620 -2.521 -1.841 127 HA ALA 29 HA ALA 29 91.514 -3.349 -3.759 128 1HB ALA 29 HB1 ALA 29 89.513 -1.099 -4.007 129 2HB ALA 29 HB2 ALA 29 89.147 -2.803 -4.274 130 3HB ALA 29 HB3 ALA 29 90.290 -1.972 -5.328 131 H LYS 30 HN LYS 30 91.029 -0.411 -1.929 132 HA LYS 30 HA LYS 30 93.183 1.019 -3.224 133 1HB LYS 30 HB2 LYS 30 91.352 1.583 -0.909 134 2HB LYS 30 HB1 LYS 30 92.764 2.590 -1.194 135 1HG LYS 30 HG2 LYS 30 91.881 2.917 -3.546 136 2HG LYS 30 HG1 LYS 30 90.380 2.190 -2.970 137 1HD LYS 30 HD2 LYS 30 89.764 4.064 -1.917 138 2HD LYS 30 HD1 LYS 30 91.359 4.270 -1.190 139 1HE LYS 30 HE2 LYS 30 92.030 5.718 -2.773 140 2HE LYS 30 HE1 LYS 30 91.248 4.816 -4.070 141 1HZ LYS 30 HZ1 LYS 30 90.283 7.072 -2.560 142 2HZ LYS 30 HZ2 LYS 30 89.150 5.824 -2.707 143 3HZ LYS 30 HZ3 LYS 30 89.825 6.520 -4.093 144 H THR 31 HN THR 31 92.762 -1.099 -0.514 145 HA THR 31 HA THR 31 95.001 -0.374 1.024 146 HB THR 31 HB THR 31 93.627 -3.042 0.701 147 HG1 THR 31 HG1 THR 31 92.544 -2.396 2.596 148 1HG2 THR 31 HG21 THR 31 94.803 -2.522 3.282 149 2HG2 THR 31 HG22 THR 31 96.011 -2.584 1.998 150 3HG2 THR 31 HG23 THR 31 94.918 -3.946 2.248 151 H ALA 32 HN ALA 32 94.582 -2.553 -1.718 152 HA ALA 32 HA ALA 32 97.051 -3.840 -1.674 153 1HB ALA 32 HB1 ALA 32 96.447 -3.445 -4.376 154 2HB ALA 32 HB2 ALA 32 94.891 -3.500 -3.550 155 3HB ALA 32 HB3 ALA 32 96.026 -4.838 -3.380 156 H ALA 33 HN ALA 33 96.241 -0.590 -2.358 157 HA ALA 33 HA ALA 33 98.716 -0.024 -3.789 158 1HB ALA 33 HB1 ALA 33 97.446 1.577 -4.665 159 2HB ALA 33 HB2 ALA 33 97.452 2.388 -3.099 160 3HB ALA 33 HB3 ALA 33 96.161 1.255 -3.500 161 H GLN 34 HN GLN 34 97.301 0.357 -0.612 162 HA GLN 34 HA GLN 34 99.357 2.068 0.413 163 1HB GLN 34 HB2 GLN 34 96.846 1.490 1.213 164 2HB GLN 34 HB1 GLN 34 97.751 0.424 2.279 165 1HG GLN 34 HG2 GLN 34 98.939 2.248 3.229 166 2HG GLN 34 HG1 GLN 34 98.319 3.364 2.012 167 1HE2 GLN 34 HE21 GLN 34 96.955 4.720 2.918 168 2HE2 GLN 34 HE22 GLN 34 95.736 4.322 4.076 169 H ASN 35 HN ASN 35 98.843 -1.345 0.153 170 HA ASN 35 HA ASN 35 100.839 -2.102 2.062 171 1HB ASN 35 HB2 ASN 35 98.719 -3.307 0.729 172 2HB ASN 35 HB1 ASN 35 100.146 -4.102 0.073 173 1HD2 ASN 35 HD21 ASN 35 101.553 -5.200 1.511 174 2HD2 ASN 35 HD22 ASN 35 100.989 -5.769 3.042 175 H LEU 36 HN LEU 36 100.590 -2.082 -1.475 176 HA LEU 36 HA LEU 36 103.192 -3.056 -1.954 177 1HB LEU 36 HB2 LEU 36 100.876 -2.534 -3.369 178 2HB LEU 36 HB1 LEU 36 102.055 -1.451 -4.074 179 HG LEU 36 HG LEU 36 102.909 -4.265 -3.709 180 1HD1 LEU 36 HD11 LEU 36 101.802 -4.667 -6.034 181 2HD1 LEU 36 HD12 LEU 36 100.675 -3.422 -5.496 182 3HD1 LEU 36 HD13 LEU 36 100.868 -4.902 -4.556 183 1HD2 LEU 36 HD21 LEU 36 103.546 -3.552 -6.225 184 2HD2 LEU 36 HD22 LEU 36 104.551 -3.192 -4.821 185 3HD2 LEU 36 HD23 LEU 36 103.462 -1.963 -5.464 186 H TYR 37 HN TYR 37 101.922 0.210 -1.497 187 HA TYR 37 HA TYR 37 104.660 1.205 -1.446 188 1HB TYR 37 HB2 TYR 37 103.534 1.242 -3.864 189 2HB TYR 37 HB1 TYR 37 102.871 2.747 -3.237 190 HD1 TYR 37 HD1 TYR 37 104.135 4.698 -3.349 191 HD2 TYR 37 HD2 TYR 37 106.101 0.941 -3.677 192 HE1 TYR 37 HE1 TYR 37 106.245 5.854 -3.857 193 HE2 TYR 37 HE2 TYR 37 108.217 2.086 -4.189 194 HH TYR 37 HH TYR 37 108.853 4.414 -5.203 195 H GLU 38 HN GLU 38 101.787 1.198 -0.018 196 HA GLU 38 HA GLU 38 100.841 2.483 1.622 197 1HB GLU 38 HB2 GLU 38 103.490 3.018 1.826 198 2HB GLU 38 HB1 GLU 38 102.864 4.626 1.493 199 1HG GLU 38 HG2 GLU 38 102.313 4.831 3.621 200 2HG GLU 38 HG1 GLU 38 101.182 3.490 3.444 201 H LYS 39 HN LYS 39 100.187 2.849 -1.139 202 HA LYS 39 HA LYS 39 98.969 4.216 -2.483 203 1HB LYS 39 HB2 LYS 39 98.421 5.144 0.263 204 2HB LYS 39 HB1 LYS 39 97.951 6.242 -1.026 205 1HG LYS 39 HG2 LYS 39 96.373 4.789 -1.869 206 2HG LYS 39 HG1 LYS 39 97.154 3.370 -1.167 207 1HD LYS 39 HD2 LYS 39 96.414 3.972 1.031 208 2HD LYS 39 HD1 LYS 39 95.811 5.528 0.456 209 1HE LYS 39 HE2 LYS 39 94.651 3.360 -1.048 210 2HE LYS 39 HE1 LYS 39 94.390 3.130 0.681 211 1HZ LYS 39 HZ1 LYS 39 92.653 4.479 0.316 212 2HZ LYS 39 HZ2 LYS 39 93.298 5.131 -1.104 213 3HZ LYS 39 HZ3 LYS 39 93.801 5.721 0.400 214 H THR 40 HN THR 40 101.870 4.897 -1.727 215 HA THR 40 HA THR 40 101.952 7.757 -2.249 216 HB THR 40 HB THR 40 104.098 5.708 -1.701 217 HG1 THR 40 HG1 THR 40 102.771 6.329 0.074 218 1HG2 THR 40 HG21 THR 40 104.349 8.660 -2.159 219 2HG2 THR 40 HG22 THR 40 105.188 7.350 -2.988 220 3HG2 THR 40 HG23 THR 40 105.559 7.705 -1.301 221 H TYR 41 HN TYR 41 101.817 4.939 -4.036 222 HA TYR 41 HA TYR 41 103.637 5.488 -6.126 223 1HB TYR 41 HB2 TYR 41 102.043 3.378 -5.395 224 2HB TYR 41 HB1 TYR 41 101.249 3.953 -6.857 225 HD1 TYR 41 HD1 TYR 41 104.892 4.006 -6.122 226 HD2 TYR 41 HD2 TYR 41 101.750 2.229 -8.373 227 HE1 TYR 41 HE1 TYR 41 106.552 2.818 -7.489 228 HE2 TYR 41 HE2 TYR 41 103.402 1.034 -9.746 229 HH TYR 41 HH TYR 41 106.648 0.764 -8.896 230 H LEU 42 HN LEU 42 100.502 6.757 -5.406 231 HA LEU 42 HA LEU 42 99.950 7.544 -8.126 232 1HB LEU 42 HB2 LEU 42 98.488 8.733 -5.812 233 2HB LEU 42 HB1 LEU 42 97.896 8.305 -7.402 234 HG LEU 42 HG LEU 42 98.747 5.938 -5.978 235 1HD1 LEU 42 HD11 LEU 42 96.369 7.122 -4.667 236 2HD1 LEU 42 HD12 LEU 42 97.954 7.695 -4.147 237 3HD1 LEU 42 HD13 LEU 42 97.559 5.979 -4.045 238 1HD2 LEU 42 HD21 LEU 42 96.237 5.454 -6.386 239 2HD2 LEU 42 HD22 LEU 42 97.318 5.611 -7.772 240 3HD2 LEU 42 HD23 LEU 42 96.271 6.954 -7.313 241 HA PRO 43 HA PRO 43 100.961 11.918 -6.376 242 1HB PRO 43 HB2 PRO 43 102.378 11.489 -3.854 243 2HB PRO 43 HB1 PRO 43 100.967 12.496 -4.184 244 1HG PRO 43 HG2 PRO 43 100.816 10.234 -2.717 245 2HG PRO 43 HG1 PRO 43 99.483 10.793 -3.744 246 1HD PRO 43 HD2 PRO 43 101.534 8.679 -4.289 247 2HD PRO 43 HD1 PRO 43 99.787 8.649 -4.594 248 H ALA 44 HN ALA 44 102.989 9.214 -6.455 249 HA ALA 44 HA ALA 44 105.350 10.912 -6.945 250 1HB ALA 44 HB1 ALA 44 105.186 9.017 -5.037 251 2HB ALA 44 HB2 ALA 44 106.688 9.467 -5.845 252 3HB ALA 44 HB3 ALA 44 105.785 8.051 -6.384 253 H VAL 45 HN VAL 45 103.605 10.628 -8.996 254 HA VAL 45 HA VAL 45 103.868 8.436 -10.680 255 HB VAL 45 HB VAL 45 103.603 11.298 -11.600 256 1HG1 VAL 45 HG11 VAL 45 102.009 9.630 -13.147 257 2HG1 VAL 45 HG12 VAL 45 103.507 8.727 -12.925 258 3HG1 VAL 45 HG13 VAL 45 103.551 10.350 -13.613 259 1HG2 VAL 45 HG21 VAL 45 101.571 9.410 -10.445 260 2HG2 VAL 45 HG22 VAL 45 101.114 10.745 -11.502 261 3HG2 VAL 45 HG23 VAL 45 101.926 11.071 -9.972 262 H ASP 46 HN ASP 46 105.937 11.281 -10.341 263 HA ASP 46 HA ASP 46 107.593 10.775 -12.567 264 1HB ASP 46 HB2 ASP 46 107.361 12.823 -10.792 265 2HB ASP 46 HB1 ASP 46 108.859 12.077 -10.242 266 H GLU 47 HN GLU 47 107.479 9.390 -9.396 267 HA GLU 47 HA GLU 47 110.152 8.294 -9.561 268 1HB GLU 47 HB2 GLU 47 107.977 7.631 -7.579 269 2HB GLU 47 HB1 GLU 47 109.692 7.284 -7.425 270 1HG GLU 47 HG2 GLU 47 109.921 9.884 -7.646 271 2HG GLU 47 HG1 GLU 47 108.242 9.860 -7.107 272 H LYS 48 HN LYS 48 106.815 7.101 -9.770 273 HA LYS 48 HA LYS 48 107.327 4.385 -10.010 274 1HB LYS 48 HB2 LYS 48 105.062 5.206 -9.803 275 2HB LYS 48 HB1 LYS 48 105.189 6.068 -11.330 276 1HG LYS 48 HG2 LYS 48 105.774 3.323 -11.798 277 2HG LYS 48 HG1 LYS 48 104.283 3.430 -10.860 278 1HD LYS 48 HD2 LYS 48 103.131 4.211 -12.610 279 2HD LYS 48 HD1 LYS 48 104.380 5.397 -12.997 280 1HE LYS 48 HE2 LYS 48 105.009 2.578 -13.617 281 2HE LYS 48 HE1 LYS 48 103.749 3.329 -14.594 282 1HZ LYS 48 HZ1 LYS 48 106.379 3.518 -15.091 283 2HZ LYS 48 HZ2 LYS 48 106.111 4.951 -14.234 284 3HZ LYS 48 HZ3 LYS 48 105.223 4.626 -15.638 285 H LEU 49 HN LEU 49 107.391 6.921 -12.454 286 HA LEU 49 HA LEU 49 108.137 5.075 -14.551 287 1HB LEU 49 HB2 LEU 49 107.779 6.802 -16.016 288 2HB LEU 49 HB1 LEU 49 106.721 7.267 -14.698 289 HG LEU 49 HG LEU 49 109.040 8.544 -14.008 290 1HD1 LEU 49 HD11 LEU 49 110.163 9.389 -15.823 291 2HD1 LEU 49 HD12 LEU 49 108.818 9.101 -16.928 292 3HD1 LEU 49 HD13 LEU 49 109.810 7.751 -16.374 293 1HD2 LEU 49 HD21 LEU 49 106.826 9.620 -15.751 294 2HD2 LEU 49 HD22 LEU 49 107.923 10.572 -14.750 295 3HD2 LEU 49 HD23 LEU 49 106.770 9.471 -13.994 296 H ARG 50 HN ARG 50 109.699 7.028 -12.187 297 HA ARG 50 HA ARG 50 112.297 6.488 -13.476 298 1HB ARG 50 HB2 ARG 50 111.299 8.983 -13.198 299 2HB ARG 50 HB1 ARG 50 112.110 8.812 -11.647 300 1HG ARG 50 HG2 ARG 50 113.883 9.594 -12.773 301 2HG ARG 50 HG1 ARG 50 114.039 7.920 -13.311 302 1HD ARG 50 HD2 ARG 50 112.496 10.048 -14.787 303 2HD ARG 50 HD1 ARG 50 114.163 9.603 -15.148 304 HE ARG 50 HE ARG 50 111.777 8.105 -15.790 305 1HH1 ARG 50 HH11 ARG 50 115.245 7.994 -15.393 306 2HH1 ARG 50 HH12 ARG 50 115.438 6.589 -16.385 307 1HH2 ARG 50 HH21 ARG 50 112.032 6.253 -17.088 308 2HH2 ARG 50 HH22 ARG 50 113.615 5.600 -17.346 309 H ASP 51 HN ASP 51 111.903 4.502 -12.089 310 HA ASP 51 HA ASP 51 113.281 4.903 -9.545 311 1HB ASP 51 HB2 ASP 51 110.498 3.936 -9.850 312 2HB ASP 51 HB1 ASP 51 111.518 3.001 -8.761 313 H LEU 52 HN LEU 52 111.862 2.502 -11.754 314 HA LEU 52 HA LEU 52 113.237 0.253 -10.976 315 1HB LEU 52 HB2 LEU 52 113.092 -0.414 -13.435 316 2HB LEU 52 HB1 LEU 52 111.592 -0.066 -12.598 317 HG LEU 52 HG LEU 52 112.793 2.231 -14.002 318 1HD1 LEU 52 HD11 LEU 52 112.137 -0.300 -15.388 319 2HD1 LEU 52 HD12 LEU 52 113.283 0.970 -15.821 320 3HD1 LEU 52 HD13 LEU 52 111.559 1.197 -16.121 321 1HD2 LEU 52 HD21 LEU 52 110.153 1.162 -13.278 322 2HD2 LEU 52 HD22 LEU 52 110.226 2.004 -14.826 323 3HD2 LEU 52 HD23 LEU 52 110.725 2.828 -13.349 324 H TYR 53 HN TYR 53 114.352 2.906 -12.980 325 HA TYR 53 HA TYR 53 116.798 1.683 -13.789 326 1HB TYR 53 HB2 TYR 53 115.436 3.838 -14.646 327 2HB TYR 53 HB1 TYR 53 116.620 4.641 -13.619 328 HD1 TYR 53 HD1 TYR 53 116.003 3.265 -16.831 329 HD2 TYR 53 HD2 TYR 53 119.106 4.004 -14.015 330 HE1 TYR 53 HE1 TYR 53 117.672 3.073 -18.628 331 HE2 TYR 53 HE2 TYR 53 120.782 3.817 -15.804 332 HH TYR 53 HH TYR 53 120.644 2.444 -18.318 333 H SER 54 HN SER 54 116.097 4.282 -11.454 334 HA SER 54 HA SER 54 118.755 4.130 -10.344 335 1HB SER 54 HB2 SER 54 117.647 5.837 -8.685 336 2HB SER 54 HB1 SER 54 118.014 6.320 -10.340 337 HG SER 54 HG SER 54 115.960 6.553 -10.699 338 H LYS 55 HN LYS 55 116.619 1.924 -10.034 339 HA LYS 55 HA LYS 55 116.872 1.655 -7.111 340 1HB LYS 55 HB2 LYS 55 114.524 1.835 -7.947 341 2HB LYS 55 HB1 LYS 55 114.781 0.358 -8.868 342 1HG LYS 55 HG2 LYS 55 113.598 -0.063 -6.774 343 2HG LYS 55 HG1 LYS 55 115.162 -0.880 -6.816 344 1HD LYS 55 HD2 LYS 55 116.080 0.500 -5.225 345 2HD LYS 55 HD1 LYS 55 114.999 1.841 -5.613 346 1HE LYS 55 HE2 LYS 55 114.357 1.011 -3.477 347 2HE LYS 55 HE1 LYS 55 113.127 0.495 -4.630 348 1HZ LYS 55 HZ1 LYS 55 114.591 -1.629 -4.747 349 2HZ LYS 55 HZ2 LYS 55 113.512 -1.422 -3.462 350 3HZ LYS 55 HZ3 LYS 55 115.159 -1.108 -3.240 351 H SER 56 HN SER 56 117.409 0.231 -10.224 352 HA SER 56 HA SER 56 118.476 -2.207 -8.960 353 1HB SER 56 HB2 SER 56 118.350 -3.195 -11.244 354 2HB SER 56 HB1 SER 56 116.779 -2.689 -10.624 355 HG SER 56 HG SER 56 118.324 -1.598 -12.680 356 H THR 57 HN THR 57 119.319 0.664 -10.638 357 HA THR 57 HA THR 57 122.008 -0.369 -11.224 358 HB THR 57 HB THR 57 120.617 2.126 -12.217 359 HG1 THR 57 HG1 THR 57 119.954 -0.003 -13.047 360 1HG2 THR 57 HG21 THR 57 122.719 1.544 -13.915 361 2HG2 THR 57 HG22 THR 57 123.401 1.368 -12.298 362 3HG2 THR 57 HG23 THR 57 122.624 2.879 -12.768 363 H ALA 58 HN ALA 58 120.274 1.634 -9.060 364 HA ALA 58 HA ALA 58 122.800 2.848 -8.129 365 1HB ALA 58 HB1 ALA 58 121.243 4.529 -8.967 366 2HB ALA 58 HB2 ALA 58 121.473 4.694 -7.226 367 3HB ALA 58 HB3 ALA 58 120.003 3.948 -7.854 368 H ALA 59 HN ALA 59 119.768 1.326 -7.161 369 HA ALA 59 HA ALA 59 120.551 1.299 -4.370 370 1HB ALA 59 HB1 ALA 59 118.329 1.370 -4.204 371 2HB ALA 59 HB2 ALA 59 118.352 -0.351 -4.590 372 3HB ALA 59 HB3 ALA 59 118.106 0.837 -5.869 373 H MET 60 HN MET 60 121.659 -0.383 -6.881 374 HA MET 60 HA MET 60 121.987 -2.843 -5.293 375 1HB MET 60 HB2 MET 60 121.658 -2.603 -8.287 376 2HB MET 60 HB1 MET 60 122.121 -4.080 -7.456 377 1HG MET 60 HG2 MET 60 119.963 -3.858 -6.153 378 2HG MET 60 HG1 MET 60 119.509 -2.614 -7.315 379 1HE MET 60 HE1 MET 60 118.033 -6.543 -7.718 380 2HE MET 60 HE2 MET 60 117.356 -4.960 -7.334 381 3HE MET 60 HE3 MET 60 118.596 -5.664 -6.296 382 H SER 61 HN SER 61 123.375 -0.716 -7.764 383 HA SER 61 HA SER 61 125.959 -1.962 -7.646 384 1HB SER 61 HB2 SER 61 124.649 0.048 -9.262 385 2HB SER 61 HB1 SER 61 126.255 0.593 -8.777 386 HG SER 61 HG SER 61 125.961 -0.799 -10.769 387 H THR 62 HN THR 62 124.344 0.628 -5.994 388 HA THR 62 HA THR 62 126.795 1.727 -4.908 389 HB THR 62 HB THR 62 123.967 2.377 -4.081 390 HG1 THR 62 HG1 THR 62 125.510 3.452 -6.201 391 1HG2 THR 62 HG21 THR 62 125.272 3.501 -2.577 392 2HG2 THR 62 HG22 THR 62 125.150 4.690 -3.874 393 3HG2 THR 62 HG23 THR 62 126.604 3.705 -3.714 394 H TYR 63 HN TYR 63 125.258 -1.050 -4.278 395 HA TYR 63 HA TYR 63 124.983 -0.976 -1.443 396 1HB TYR 63 HB2 TYR 63 124.312 -2.688 -3.543 397 2HB TYR 63 HB1 TYR 63 125.435 -3.601 -2.546 398 HD1 TYR 63 HD1 TYR 63 124.832 -4.307 -0.315 399 HD2 TYR 63 HD2 TYR 63 122.155 -1.948 -2.634 400 HE1 TYR 63 HE1 TYR 63 123.020 -4.817 1.268 401 HE2 TYR 63 HE2 TYR 63 120.337 -2.452 -1.057 402 HH TYR 63 HH TYR 63 119.781 -4.249 0.600 403 H THR 64 HN THR 64 127.545 -1.719 -3.692 404 HA THR 64 HA THR 64 129.280 -3.191 -2.115 405 HB THR 64 HB THR 64 131.082 -1.830 -3.481 406 HG1 THR 64 HG1 THR 64 130.277 -0.721 -5.171 407 1HG2 THR 64 HG21 THR 64 129.848 -4.172 -3.955 408 2HG2 THR 64 HG22 THR 64 131.064 -3.461 -5.016 409 3HG2 THR 64 HG23 THR 64 129.349 -3.252 -5.374 410 H GLY 65 HN GLY 65 128.366 0.105 -1.942 411 1HA GLY 65 HA2 GLY 65 130.541 0.806 -0.126 412 2HA GLY 65 HA1 GLY 65 129.310 1.900 -0.745 413 H ILE 66 HN ILE 66 127.242 -0.227 -0.032 414 HA ILE 66 HA ILE 66 126.903 0.658 2.724 415 HB ILE 66 HB ILE 66 124.948 -0.957 1.101 416 1HG1 ILE 66 HG12 ILE 66 125.546 1.120 -0.110 417 2HG1 ILE 66 HG11 ILE 66 123.876 1.129 0.449 418 1HG2 ILE 66 HG21 ILE 66 124.449 -0.955 3.435 419 2HG2 ILE 66 HG22 ILE 66 123.315 0.137 2.638 420 3HG2 ILE 66 HG23 ILE 66 124.685 0.789 3.538 421 1HD1 ILE 66 HD11 ILE 66 124.804 2.419 2.477 422 2HD1 ILE 66 HD12 ILE 66 124.612 3.261 0.938 423 3HD1 ILE 66 HD13 ILE 66 126.207 2.704 1.447 424 H PHE 67 HN PHE 67 128.064 -2.011 1.043 425 HA PHE 67 HA PHE 67 127.217 -4.147 2.651 426 1HB PHE 67 HB2 PHE 67 128.661 -3.850 0.361 427 2HB PHE 67 HB1 PHE 67 129.914 -4.327 1.499 428 HD1 PHE 67 HD1 PHE 67 126.999 -5.392 -0.376 429 HD2 PHE 67 HD2 PHE 67 129.797 -6.509 2.632 430 HE1 PHE 67 HE1 PHE 67 126.322 -7.744 -0.624 431 HE2 PHE 67 HE2 PHE 67 129.125 -8.863 2.389 432 HZ PHE 67 HZ PHE 67 127.386 -9.484 0.758 433 H THR 68 HN THR 68 130.288 -2.377 2.654 434 HA THR 68 HA THR 68 131.235 -3.584 5.047 435 HB THR 68 HB THR 68 132.433 -0.999 4.472 436 HG1 THR 68 HG1 THR 68 131.921 -1.200 2.381 437 1HG2 THR 68 HG21 THR 68 133.354 -3.265 5.515 438 2HG2 THR 68 HG22 THR 68 134.392 -2.088 4.710 439 3HG2 THR 68 HG23 THR 68 133.836 -3.516 3.838 440 H ASP 69 HN ASP 69 129.252 -0.824 4.362 441 HA ASP 69 HA ASP 69 129.638 0.697 6.661 442 1HB ASP 69 HB2 ASP 69 127.336 0.347 4.777 443 2HB ASP 69 HB1 ASP 69 127.130 1.314 6.233 444 H GLN 70 HN GLN 70 127.775 -2.206 6.154 445 HA GLN 70 HA GLN 70 126.613 -2.044 8.820 446 1HB GLN 70 HB2 GLN 70 126.092 -3.639 6.380 447 2HB GLN 70 HB1 GLN 70 125.774 -4.439 7.914 448 1HG GLN 70 HG2 GLN 70 124.458 -2.274 8.473 449 2HG GLN 70 HG1 GLN 70 124.463 -2.037 6.726 450 1HE2 GLN 70 HE21 GLN 70 123.878 -4.646 9.064 451 2HE2 GLN 70 HE22 GLN 70 122.470 -5.264 8.279 452 H VAL 71 HN VAL 71 129.542 -2.844 7.793 453 HA VAL 71 HA VAL 71 129.835 -5.346 9.272 454 HB VAL 71 HB VAL 71 131.863 -3.737 7.715 455 1HG1 VAL 71 HG11 VAL 71 133.387 -5.520 7.974 456 2HG1 VAL 71 HG12 VAL 71 132.150 -6.586 8.637 457 3HG1 VAL 71 HG13 VAL 71 132.738 -5.220 9.585 458 1HG2 VAL 71 HG21 VAL 71 130.015 -4.731 6.373 459 2HG2 VAL 71 HG22 VAL 71 130.517 -6.321 6.950 460 3HG2 VAL 71 HG23 VAL 71 131.614 -5.353 5.965 461 H LEU 72 HN LEU 72 130.906 -1.981 9.376 462 HA LEU 72 HA LEU 72 132.254 -2.445 11.910 463 1HB LEU 72 HB2 LEU 72 132.690 0.106 11.645 464 2HB LEU 72 HB1 LEU 72 133.581 -1.032 10.656 465 HG LEU 72 HG LEU 72 131.195 -0.266 9.260 466 1HD1 LEU 72 HD11 LEU 72 132.869 2.002 10.306 467 2HD1 LEU 72 HD12 LEU 72 131.139 1.748 10.537 468 3HD1 LEU 72 HD13 LEU 72 131.768 2.129 8.934 469 1HD2 LEU 72 HD21 LEU 72 133.149 0.785 7.805 470 2HD2 LEU 72 HD22 LEU 72 132.866 -0.955 7.876 471 3HD2 LEU 72 HD23 LEU 72 134.133 -0.228 8.863 472 H SER 73 HN SER 73 129.350 -1.202 10.566 473 HA SER 73 HA SER 73 128.533 0.326 12.844 474 1HB SER 73 HB2 SER 73 127.761 0.720 10.480 475 2HB SER 73 HB1 SER 73 126.791 -0.745 10.629 476 HG SER 73 HG SER 73 126.396 1.761 11.714 477 H VAL 74 HN VAL 74 128.589 -2.984 12.073 478 HA VAL 74 HA VAL 74 126.674 -3.552 14.248 479 HB VAL 74 HB VAL 74 127.200 -5.309 11.861 480 1HG1 VAL 74 HG11 VAL 74 126.462 -6.601 13.715 481 2HG1 VAL 74 HG12 VAL 74 125.070 -6.395 12.651 482 3HG1 VAL 74 HG13 VAL 74 125.209 -5.427 14.118 483 1HG2 VAL 74 HG21 VAL 74 124.552 -4.080 12.092 484 2HG2 VAL 74 HG22 VAL 74 125.581 -4.304 10.678 485 3HG2 VAL 74 HG23 VAL 74 125.851 -2.936 11.756 486 H LEU 75 HN LEU 75 129.856 -4.035 13.016 487 HA LEU 75 HA LEU 75 130.275 -6.137 15.051 488 1HB LEU 75 HB2 LEU 75 132.029 -5.921 12.645 489 2HB LEU 75 HB1 LEU 75 131.715 -7.306 13.671 490 HG LEU 75 HG LEU 75 129.613 -6.132 11.864 491 1HD1 LEU 75 HD11 LEU 75 131.903 -7.866 11.226 492 2HD1 LEU 75 HD12 LEU 75 130.947 -6.811 10.186 493 3HD1 LEU 75 HD13 LEU 75 130.338 -8.407 10.619 494 1HD2 LEU 75 HD21 LEU 75 129.904 -8.690 13.413 495 2HD2 LEU 75 HD22 LEU 75 128.757 -8.518 12.084 496 3HD2 LEU 75 HD23 LEU 75 128.619 -7.486 13.507 497 H LYS 76 HN LYS 76 131.143 -2.963 14.232 498 HA LYS 76 HA LYS 76 133.672 -3.255 15.735 499 1HB LYS 76 HB2 LYS 76 132.940 -1.778 13.349 500 2HB LYS 76 HB1 LYS 76 133.713 -0.757 14.546 501 1HG LYS 76 HG2 LYS 76 135.623 -1.467 13.628 502 2HG LYS 76 HG1 LYS 76 135.341 -2.937 14.561 503 1HD LYS 76 HD2 LYS 76 134.480 -4.086 12.713 504 2HD LYS 76 HD1 LYS 76 134.195 -2.597 11.810 505 1HE LYS 76 HE2 LYS 76 136.612 -2.258 11.611 506 2HE LYS 76 HE1 LYS 76 136.893 -3.749 12.510 507 1HZ LYS 76 HZ1 LYS 76 135.570 -3.511 9.863 508 2HZ LYS 76 HZ2 LYS 76 135.715 -4.950 10.738 509 3HZ LYS 76 HZ3 LYS 76 137.100 -4.164 10.170 510 H GLY 77 HN GLY 77 130.526 -2.085 15.905 511 1HA GLY 77 HA2 GLY 77 129.806 -1.266 18.092 512 2HA GLY 77 HA1 GLY 77 131.281 -0.304 18.132 513 H GLU 78 HN GLU 78 128.789 -0.841 15.675 514 HA GLU 78 HA GLU 78 127.658 0.568 14.341 515 1HB GLU 78 HB2 GLU 78 126.388 2.248 15.454 516 2HB GLU 78 HB1 GLU 78 126.526 0.852 16.504 517 1HG GLU 78 HG2 GLU 78 127.887 1.934 18.003 518 2HG GLU 78 HG1 GLU 78 128.448 3.108 16.816 519 H GLU 79 HN GLU 79 130.098 0.807 13.518 520 HA GLU 79 HA GLU 79 131.555 2.181 12.435 521 1HB GLU 79 HB2 GLU 79 129.254 3.234 11.811 522 2HB GLU 79 HB1 GLU 79 129.733 4.516 12.916 523 1HG GLU 79 HG2 GLU 79 131.936 4.466 11.468 524 2HG GLU 79 HG1 GLU 79 130.844 3.775 10.267 Start of MODEL 11 1 H THR 13 H THR 13 112.190 15.385 5.809 2 HA THR 13 HA THR 13 110.215 17.496 6.326 3 HB THR 13 HB THR 13 108.612 15.839 5.288 4 HG1 THR 13 HG1 THR 13 109.553 14.339 3.843 5 1HG2 THR 13 HG21 THR 13 108.658 17.113 3.488 6 2HG2 THR 13 HG22 THR 13 110.145 16.341 2.939 7 3HG2 THR 13 HG23 THR 13 110.222 17.746 4.002 8 H PHE 14 HN PHE 14 108.711 16.921 7.897 9 HA PHE 14 HA PHE 14 109.245 14.444 9.401 10 1HB PHE 14 HB2 PHE 14 109.867 17.051 10.284 11 2HB PHE 14 HB1 PHE 14 108.423 16.574 11.171 12 HD1 PHE 14 HD1 PHE 14 111.926 15.714 10.456 13 HD2 PHE 14 HD2 PHE 14 108.502 14.889 12.843 14 HE1 PHE 14 HE1 PHE 14 113.312 14.356 11.967 15 HE2 PHE 14 HE2 PHE 14 109.882 13.531 14.361 16 HZ PHE 14 HZ PHE 14 112.291 13.262 13.924 17 H LEU 15 HN LEU 15 107.017 17.167 8.897 18 HA LEU 15 HA LEU 15 104.779 15.985 10.137 19 1HB LEU 15 HB2 LEU 15 104.702 17.953 7.856 20 2HB LEU 15 HB1 LEU 15 103.476 17.693 9.081 21 HG LEU 15 HG LEU 15 106.067 18.457 10.202 22 1HD1 LEU 15 HD11 LEU 15 105.773 20.858 9.532 23 2HD1 LEU 15 HD12 LEU 15 104.650 20.299 8.291 24 3HD1 LEU 15 HD13 LEU 15 106.337 19.784 8.253 25 1HD2 LEU 15 HD21 LEU 15 104.730 19.831 11.591 26 2HD2 LEU 15 HD22 LEU 15 103.830 18.331 11.359 27 3HD2 LEU 15 HD23 LEU 15 103.377 19.779 10.460 28 H THR 16 HN THR 16 105.892 16.006 6.775 29 HA THR 16 HA THR 16 103.733 14.762 5.559 30 HB THR 16 HB THR 16 106.606 14.236 4.810 31 HG1 THR 16 HG1 THR 16 105.030 16.535 4.296 32 1HG2 THR 16 HG21 THR 16 104.413 13.309 3.588 33 2HG2 THR 16 HG22 THR 16 105.902 13.724 2.741 34 3HG2 THR 16 HG23 THR 16 104.565 14.873 2.790 35 H GLN 17 HN GLN 17 106.121 13.432 7.682 36 HA GLN 17 HA GLN 17 105.954 10.725 6.931 37 1HB GLN 17 HB2 GLN 17 106.500 11.874 9.675 38 2HB GLN 17 HB1 GLN 17 106.869 10.237 9.149 39 1HG GLN 17 HG2 GLN 17 108.111 11.879 7.280 40 2HG GLN 17 HG1 GLN 17 108.390 12.665 8.834 41 1HE2 GLN 17 HE21 GLN 17 109.479 10.352 6.716 42 2HE2 GLN 17 HE22 GLN 17 110.516 9.471 7.781 43 H VAL 18 HN VAL 18 104.204 12.573 9.408 44 HA VAL 18 HA VAL 18 102.636 10.561 10.481 45 HB VAL 18 HB VAL 18 101.702 13.385 9.961 46 1HG1 VAL 18 HG11 VAL 18 100.932 11.340 12.041 47 2HG1 VAL 18 HG12 VAL 18 99.927 11.940 10.721 48 3HG1 VAL 18 HG13 VAL 18 100.396 13.021 12.034 49 1HG2 VAL 18 HG21 VAL 18 103.737 12.310 11.806 50 2HG2 VAL 18 HG22 VAL 18 102.585 13.450 12.502 51 3HG2 VAL 18 HG23 VAL 18 103.567 13.924 11.116 52 H LYS 19 HN LYS 19 102.259 12.353 7.502 53 HA LYS 19 HA LYS 19 99.612 11.588 6.882 54 1HB LYS 19 HB2 LYS 19 101.920 12.337 5.088 55 2HB LYS 19 HB1 LYS 19 100.255 12.177 4.547 56 1HG LYS 19 HG2 LYS 19 99.573 14.009 5.959 57 2HG LYS 19 HG1 LYS 19 101.195 14.124 6.644 58 1HD LYS 19 HD2 LYS 19 102.033 14.586 4.319 59 2HD LYS 19 HD1 LYS 19 100.347 14.706 3.811 60 1HE LYS 19 HE2 LYS 19 100.627 16.320 6.108 61 2HE LYS 19 HE1 LYS 19 102.004 16.676 5.065 62 1HZ LYS 19 HZ1 LYS 19 99.907 18.018 4.699 63 2HZ LYS 19 HZ2 LYS 19 99.234 16.619 4.029 64 3HZ LYS 19 HZ3 LYS 19 100.602 17.317 3.324 65 H GLU 20 HN GLU 20 102.668 10.413 5.501 66 HA GLU 20 HA GLU 20 101.573 8.203 4.172 67 1HB GLU 20 HB2 GLU 20 104.373 8.592 5.251 68 2HB GLU 20 HB1 GLU 20 103.899 7.336 4.116 69 1HG GLU 20 HG2 GLU 20 103.260 10.120 3.365 70 2HG GLU 20 HG1 GLU 20 104.962 9.659 3.362 71 H SER 21 HN SER 21 102.268 8.737 7.494 72 HA SER 21 HA SER 21 102.446 5.966 8.234 73 1HB SER 21 HB2 SER 21 103.091 8.398 9.399 74 2HB SER 21 HB1 SER 21 101.738 7.819 10.364 75 HG SER 21 HG SER 21 103.298 6.736 11.314 76 H LEU 22 HN LEU 22 100.052 8.540 8.837 77 HA LEU 22 HA LEU 22 98.094 6.850 9.936 78 1HB LEU 22 HB2 LEU 22 98.363 9.609 9.314 79 2HB LEU 22 HB1 LEU 22 96.856 9.057 8.607 80 HG LEU 22 HG LEU 22 96.556 9.982 10.868 81 1HD1 LEU 22 HD11 LEU 22 95.818 7.249 10.079 82 2HD1 LEU 22 HD12 LEU 22 94.807 8.598 10.594 83 3HD1 LEU 22 HD13 LEU 22 95.641 7.613 11.796 84 1HD2 LEU 22 HD21 LEU 22 98.891 8.932 11.536 85 2HD2 LEU 22 HD22 LEU 22 97.864 7.603 12.074 86 3HD2 LEU 22 HD23 LEU 22 97.629 9.223 12.732 87 H SER 23 HN SER 23 98.887 7.722 6.651 88 HA SER 23 HA SER 23 96.499 6.719 5.470 89 1HB SER 23 HB2 SER 23 98.202 8.363 4.451 90 2HB SER 23 HB1 SER 23 99.143 6.928 4.045 91 H SER 24 HN SER 24 99.681 5.365 6.111 92 HA SER 24 HA SER 24 99.310 2.938 4.720 93 1HB SER 24 HB2 SER 24 101.079 3.593 7.080 94 2HB SER 24 HB1 SER 24 101.159 2.091 6.161 95 HG SER 24 HG SER 24 102.299 3.102 4.727 96 H TYR 25 HN TYR 25 98.423 4.015 7.935 97 HA TYR 25 HA TYR 25 97.870 1.584 9.163 98 1HB TYR 25 HB2 TYR 25 97.639 4.260 9.755 99 2HB TYR 25 HB1 TYR 25 95.962 3.735 9.722 100 HD1 TYR 25 HD1 TYR 25 99.130 3.554 11.496 101 HD2 TYR 25 HD2 TYR 25 95.167 2.020 11.314 102 HE1 TYR 25 HE1 TYR 25 99.382 2.650 13.770 103 HE2 TYR 25 HE2 TYR 25 95.407 1.112 13.587 104 HH TYR 25 HH TYR 25 96.904 1.734 15.669 105 H TRP 26 HN TRP 26 96.062 3.519 6.889 106 HA TRP 26 HA TRP 26 93.820 1.623 6.907 107 1HB TRP 26 HB2 TRP 26 94.154 4.478 6.247 108 2HB TRP 26 HB1 TRP 26 93.107 3.586 5.148 109 HD1 TRP 26 HD1 TRP 26 93.271 2.872 8.923 110 HE1 TRP 26 HE1 TRP 26 90.961 3.376 9.942 111 HE3 TRP 26 HE3 TRP 26 90.999 4.905 4.820 112 HZ2 TRP 26 HZ2 TRP 26 88.503 4.492 9.117 113 HZ3 TRP 26 HZ3 TRP 26 88.668 5.666 5.019 114 HH2 TRP 26 HH2 TRP 26 87.448 5.463 7.123 115 H GLU 27 HN GLU 27 96.623 2.476 5.117 116 HA GLU 27 HA GLU 27 95.725 1.691 2.530 117 1HB GLU 27 HB2 GLU 27 97.892 3.010 3.375 118 2HB GLU 27 HB1 GLU 27 98.598 1.406 3.245 119 1HG GLU 27 HG2 GLU 27 98.301 1.316 0.958 120 2HG GLU 27 HG1 GLU 27 97.026 2.533 0.973 121 H SER 28 HN SER 28 97.298 -0.018 5.190 122 HA SER 28 HA SER 28 97.815 -2.409 3.783 123 1HB SER 28 HB2 SER 28 98.985 -2.511 5.714 124 2HB SER 28 HB1 SER 28 97.812 -1.545 6.605 125 HG SER 28 HG SER 28 98.079 -3.899 7.136 126 H ALA 29 HN ALA 29 95.038 -1.268 5.633 127 HA ALA 29 HA ALA 29 93.571 -3.679 5.582 128 1HB ALA 29 HB1 ALA 29 93.086 -1.677 7.031 129 2HB ALA 29 HB2 ALA 29 91.678 -2.379 6.233 130 3HB ALA 29 HB3 ALA 29 92.402 -0.899 5.604 131 H LYS 30 HN LYS 30 93.972 -1.028 3.346 132 HA LYS 30 HA LYS 30 91.945 -1.964 1.516 133 1HB LYS 30 HB2 LYS 30 93.859 0.303 1.638 134 2HB LYS 30 HB1 LYS 30 93.375 -0.228 0.033 135 1HG LYS 30 HG2 LYS 30 91.902 1.510 0.648 136 2HG LYS 30 HG1 LYS 30 90.991 0.006 0.788 137 1HD LYS 30 HD2 LYS 30 91.552 0.011 3.236 138 2HD LYS 30 HD1 LYS 30 92.210 1.633 3.012 139 1HE LYS 30 HE2 LYS 30 89.517 1.259 1.918 140 2HE LYS 30 HE1 LYS 30 89.621 1.060 3.666 141 1HZ LYS 30 HZ1 LYS 30 91.063 3.350 2.716 142 2HZ LYS 30 HZ2 LYS 30 89.914 3.233 3.951 143 3HZ LYS 30 HZ3 LYS 30 89.413 3.424 2.348 144 H THR 31 HN THR 31 95.309 -2.498 2.100 145 HA THR 31 HA THR 31 95.958 -3.479 -0.513 146 HB THR 31 HB THR 31 97.317 -3.590 2.172 147 HG1 THR 31 HG1 THR 31 98.617 -2.078 1.303 148 1HG2 THR 31 HG21 THR 31 99.292 -4.491 1.127 149 2HG2 THR 31 HG22 THR 31 98.440 -4.635 -0.410 150 3HG2 THR 31 HG23 THR 31 97.944 -5.618 0.967 151 H ALA 32 HN ALA 32 95.558 -5.051 2.668 152 HA ALA 32 HA ALA 32 95.661 -7.690 1.721 153 1HB ALA 32 HB1 ALA 32 94.060 -7.824 3.959 154 2HB ALA 32 HB2 ALA 32 94.991 -6.349 4.218 155 3HB ALA 32 HB3 ALA 32 95.823 -7.879 3.944 156 H ALA 33 HN ALA 33 93.175 -5.314 1.636 157 HA ALA 33 HA ALA 33 91.049 -7.233 1.150 158 1HB ALA 33 HB1 ALA 33 90.189 -5.454 2.322 159 2HB ALA 33 HB2 ALA 33 89.799 -4.978 0.669 160 3HB ALA 33 HB3 ALA 33 91.195 -4.274 1.484 161 H GLN 34 HN GLN 34 93.297 -5.317 -0.640 162 HA GLN 34 HA GLN 34 91.795 -5.421 -3.115 163 1HB GLN 34 HB2 GLN 34 94.236 -4.121 -2.139 164 2HB GLN 34 HB1 GLN 34 94.367 -4.704 -3.792 165 1HG GLN 34 HG2 GLN 34 92.064 -3.499 -4.080 166 2HG GLN 34 HG1 GLN 34 92.593 -2.603 -2.656 167 1HE2 GLN 34 HE21 GLN 34 92.431 -0.825 -4.262 168 2HE2 GLN 34 HE22 GLN 34 93.827 -0.476 -5.216 169 H ASN 35 HN ASN 35 94.532 -7.065 -1.626 170 HA ASN 35 HA ASN 35 95.510 -8.480 -3.789 171 1HB ASN 35 HB2 ASN 35 96.053 -8.288 -1.122 172 2HB ASN 35 HB1 ASN 35 95.469 -9.944 -1.244 173 1HD2 ASN 35 HD21 ASN 35 98.052 -7.812 -1.812 174 2HD2 ASN 35 HD22 ASN 35 99.127 -8.935 -2.563 175 H LEU 36 HN LEU 36 93.150 -9.638 -1.358 176 HA LEU 36 HA LEU 36 92.633 -12.079 -2.638 177 1HB LEU 36 HB2 LEU 36 91.991 -10.784 -0.275 178 2HB LEU 36 HB1 LEU 36 90.443 -11.042 -1.051 179 HG LEU 36 HG LEU 36 90.951 -12.879 0.462 180 1HD1 LEU 36 HD11 LEU 36 91.195 -13.748 -2.414 181 2HD1 LEU 36 HD12 LEU 36 89.686 -13.350 -1.591 182 3HD1 LEU 36 HD13 LEU 36 90.641 -14.734 -1.062 183 1HD2 LEU 36 HD21 LEU 36 93.251 -13.711 -1.251 184 2HD2 LEU 36 HD22 LEU 36 92.878 -14.144 0.417 185 3HD2 LEU 36 HD23 LEU 36 93.499 -12.537 0.042 186 H TYR 37 HN TYR 37 91.312 -8.882 -3.086 187 HA TYR 37 HA TYR 37 89.132 -9.922 -4.743 188 1HB TYR 37 HB2 TYR 37 89.487 -7.616 -3.083 189 2HB TYR 37 HB1 TYR 37 89.103 -7.094 -4.720 190 HD1 TYR 37 HD1 TYR 37 86.883 -7.027 -5.400 191 HD2 TYR 37 HD2 TYR 37 87.952 -9.472 -2.089 192 HE1 TYR 37 HE1 TYR 37 84.507 -7.525 -5.010 193 HE2 TYR 37 HE2 TYR 37 85.579 -9.977 -1.687 194 HH TYR 37 HH TYR 37 83.414 -10.000 -3.232 195 H GLU 38 HN GLU 38 92.292 -9.029 -5.214 196 HA GLU 38 HA GLU 38 91.769 -8.510 -8.050 197 1HB GLU 38 HB2 GLU 38 93.668 -6.872 -6.368 198 2HB GLU 38 HB1 GLU 38 93.475 -6.741 -8.109 199 1HG GLU 38 HG2 GLU 38 91.058 -6.407 -6.425 200 2HG GLU 38 HG1 GLU 38 92.254 -5.112 -6.424 201 H LYS 39 HN LYS 39 94.582 -8.691 -5.877 202 HA LYS 39 HA LYS 39 96.340 -9.827 -7.687 203 1HB LYS 39 HB2 LYS 39 96.236 -10.185 -4.690 204 2HB LYS 39 HB1 LYS 39 97.609 -10.619 -5.701 205 1HG LYS 39 HG2 LYS 39 96.616 -7.849 -5.949 206 2HG LYS 39 HG1 LYS 39 97.400 -8.278 -4.429 207 1HD LYS 39 HD2 LYS 39 99.222 -9.304 -6.004 208 2HD LYS 39 HD1 LYS 39 98.527 -8.200 -7.191 209 1HE LYS 39 HE2 LYS 39 98.990 -6.308 -5.803 210 2HE LYS 39 HE1 LYS 39 99.465 -7.344 -4.459 211 1HZ LYS 39 HZ1 LYS 39 101.500 -7.655 -5.312 212 2HZ LYS 39 HZ2 LYS 39 101.181 -6.244 -6.188 213 3HZ LYS 39 HZ3 LYS 39 100.950 -7.756 -6.909 214 H THR 40 HN THR 40 94.104 -11.450 -5.477 215 HA THR 40 HA THR 40 94.924 -14.068 -6.388 216 HB THR 40 HB THR 40 92.509 -13.540 -4.693 217 HG1 THR 40 HG1 THR 40 95.162 -13.595 -3.708 218 1HG2 THR 40 HG21 THR 40 93.495 -15.534 -3.470 219 2HG2 THR 40 HG22 THR 40 94.534 -15.729 -4.882 220 3HG2 THR 40 HG23 THR 40 92.782 -15.820 -5.057 221 H TYR 41 HN TYR 41 92.234 -11.852 -6.837 222 HA TYR 41 HA TYR 41 90.417 -13.559 -8.070 223 1HB TYR 41 HB2 TYR 41 90.497 -10.893 -7.422 224 2HB TYR 41 HB1 TYR 41 90.485 -10.850 -9.181 225 HD1 TYR 41 HD1 TYR 41 88.799 -13.156 -6.776 226 HD2 TYR 41 HD2 TYR 41 88.349 -10.234 -9.836 227 HE1 TYR 41 HE1 TYR 41 86.367 -13.522 -6.760 228 HE2 TYR 41 HE2 TYR 41 85.915 -10.591 -9.827 229 HH TYR 41 HH TYR 41 84.267 -11.968 -7.454 230 H LEU 42 HN LEU 42 92.440 -11.184 -9.767 231 HA LEU 42 HA LEU 42 92.111 -12.559 -12.263 232 1HB LEU 42 HB2 LEU 42 93.996 -10.298 -11.619 233 2HB LEU 42 HB1 LEU 42 93.452 -10.794 -13.210 234 HG LEU 42 HG LEU 42 91.214 -10.132 -11.482 235 1HD1 LEU 42 HD11 LEU 42 93.505 -8.269 -11.596 236 2HD1 LEU 42 HD12 LEU 42 92.249 -8.455 -10.373 237 3HD1 LEU 42 HD13 LEU 42 91.903 -7.580 -11.863 238 1HD2 LEU 42 HD21 LEU 42 91.007 -8.437 -13.500 239 2HD2 LEU 42 HD22 LEU 42 90.653 -10.154 -13.691 240 3HD2 LEU 42 HD23 LEU 42 92.212 -9.513 -14.211 241 HA PRO 43 HA PRO 43 95.624 -15.196 -12.386 242 1HB PRO 43 HB2 PRO 43 96.418 -14.102 -15.010 243 2HB PRO 43 HB1 PRO 43 95.910 -15.738 -14.581 244 1HG PRO 43 HG2 PRO 43 94.323 -14.108 -15.994 245 2HG PRO 43 HG1 PRO 43 93.664 -15.241 -14.799 246 1HD PRO 43 HD2 PRO 43 94.128 -12.292 -14.559 247 2HD PRO 43 HD1 PRO 43 92.755 -13.267 -13.994 248 H ALA 44 HN ALA 44 96.414 -13.368 -10.742 249 HA ALA 44 HA ALA 44 98.111 -12.061 -9.946 250 1HB ALA 44 HB1 ALA 44 99.181 -14.276 -10.146 251 2HB ALA 44 HB2 ALA 44 100.324 -12.946 -10.321 252 3HB ALA 44 HB3 ALA 44 99.767 -13.823 -11.746 253 H VAL 45 HN VAL 45 96.798 -11.116 -12.424 254 HA VAL 45 HA VAL 45 98.821 -9.926 -14.069 255 HB VAL 45 HB VAL 45 95.907 -9.157 -13.878 256 1HG1 VAL 45 HG11 VAL 45 96.185 -8.226 -16.065 257 2HG1 VAL 45 HG12 VAL 45 97.832 -8.848 -16.176 258 3HG1 VAL 45 HG13 VAL 45 97.449 -7.566 -15.027 259 1HG2 VAL 45 HG21 VAL 45 97.216 -11.190 -15.681 260 2HG2 VAL 45 HG22 VAL 45 95.526 -10.693 -15.731 261 3HG2 VAL 45 HG23 VAL 45 96.150 -11.553 -14.324 262 H ASP 46 HN ASP 46 97.059 -9.001 -11.212 263 HA ASP 46 HA ASP 46 97.448 -6.217 -11.333 264 1HB ASP 46 HB2 ASP 46 96.410 -8.119 -9.455 265 2HB ASP 46 HB1 ASP 46 97.503 -7.026 -8.611 266 H GLU 47 HN GLU 47 99.436 -8.839 -10.076 267 HA GLU 47 HA GLU 47 101.384 -7.268 -8.798 268 1HB GLU 47 HB2 GLU 47 101.995 -9.886 -10.134 269 2HB GLU 47 HB1 GLU 47 102.695 -9.214 -8.669 270 1HG GLU 47 HG2 GLU 47 100.200 -9.405 -7.822 271 2HG GLU 47 HG1 GLU 47 100.133 -10.651 -9.067 272 H LYS 48 HN LYS 48 101.294 -8.639 -12.081 273 HA LYS 48 HA LYS 48 103.758 -7.812 -12.999 274 1HB LYS 48 HB2 LYS 48 101.145 -8.394 -14.258 275 2HB LYS 48 HB1 LYS 48 102.259 -7.438 -15.224 276 1HG LYS 48 HG2 LYS 48 102.485 -9.792 -15.735 277 2HG LYS 48 HG1 LYS 48 103.960 -9.179 -14.983 278 1HD LYS 48 HD2 LYS 48 103.582 -10.317 -13.007 279 2HD LYS 48 HD1 LYS 48 101.842 -10.423 -13.282 280 1HE LYS 48 HE2 LYS 48 102.379 -12.570 -13.777 281 2HE LYS 48 HE1 LYS 48 102.674 -11.864 -15.365 282 1HZ LYS 48 HZ1 LYS 48 104.454 -13.329 -13.979 283 2HZ LYS 48 HZ2 LYS 48 104.940 -11.759 -13.581 284 3HZ LYS 48 HZ3 LYS 48 104.860 -12.233 -15.203 285 H LEU 49 HN LEU 49 100.835 -5.966 -12.529 286 HA LEU 49 HA LEU 49 102.025 -3.570 -13.699 287 1HB LEU 49 HB2 LEU 49 99.288 -4.356 -12.799 288 2HB LEU 49 HB1 LEU 49 99.698 -2.653 -12.858 289 HG LEU 49 HG LEU 49 99.946 -4.519 -15.216 290 1HD1 LEU 49 HD11 LEU 49 97.753 -4.376 -15.500 291 2HD1 LEU 49 HD12 LEU 49 97.888 -2.620 -15.590 292 3HD1 LEU 49 HD13 LEU 49 97.602 -3.403 -14.036 293 1HD2 LEU 49 HD21 LEU 49 101.203 -2.176 -14.863 294 2HD2 LEU 49 HD22 LEU 49 99.672 -1.595 -15.517 295 3HD2 LEU 49 HD23 LEU 49 100.642 -2.747 -16.435 296 H ARG 50 HN ARG 50 101.464 -5.040 -10.614 297 HA ARG 50 HA ARG 50 101.940 -2.516 -9.208 298 1HB ARG 50 HB2 ARG 50 100.773 -5.139 -8.479 299 2HB ARG 50 HB1 ARG 50 101.657 -4.299 -7.214 300 1HG ARG 50 HG2 ARG 50 99.535 -2.906 -8.800 301 2HG ARG 50 HG1 ARG 50 99.131 -3.912 -7.409 302 1HD ARG 50 HD2 ARG 50 101.270 -2.229 -6.643 303 2HD ARG 50 HD1 ARG 50 100.083 -1.222 -7.466 304 HE ARG 50 HE ARG 50 98.428 -2.084 -5.865 305 1HH1 ARG 50 HH11 ARG 50 101.816 -2.342 -5.025 306 2HH1 ARG 50 HH12 ARG 50 101.510 -2.400 -3.324 307 1HH2 ARG 50 HH21 ARG 50 98.040 -2.161 -3.628 308 2HH2 ARG 50 HH22 ARG 50 99.373 -2.298 -2.531 309 H ASP 51 HN ASP 51 103.897 -4.574 -10.663 310 HA ASP 51 HA ASP 51 105.749 -5.134 -8.518 311 1HB ASP 51 HB2 ASP 51 105.474 -5.863 -11.354 312 2HB ASP 51 HB1 ASP 51 107.139 -5.616 -10.834 313 H LEU 52 HN LEU 52 105.688 -3.061 -11.400 314 HA LEU 52 HA LEU 52 108.145 -1.868 -11.270 315 1HB LEU 52 HB2 LEU 52 106.804 0.257 -12.045 316 2HB LEU 52 HB1 LEU 52 106.955 -1.147 -13.084 317 HG LEU 52 HG LEU 52 104.605 -1.263 -11.349 318 1HD1 LEU 52 HD11 LEU 52 104.236 0.674 -13.542 319 2HD1 LEU 52 HD12 LEU 52 105.076 1.264 -12.107 320 3HD1 LEU 52 HD13 LEU 52 103.457 0.578 -11.962 321 1HD2 LEU 52 HD21 LEU 52 105.291 -2.639 -13.439 322 2HD2 LEU 52 HD22 LEU 52 104.622 -1.277 -14.339 323 3HD2 LEU 52 HD23 LEU 52 103.602 -2.180 -13.218 324 H TYR 53 HN TYR 53 105.355 -1.275 -9.259 325 HA TYR 53 HA TYR 53 106.437 1.048 -7.948 326 1HB TYR 53 HB2 TYR 53 103.934 0.104 -8.226 327 2HB TYR 53 HB1 TYR 53 104.312 -0.562 -6.640 328 HD1 TYR 53 HD1 TYR 53 104.448 0.842 -4.715 329 HD2 TYR 53 HD2 TYR 53 103.981 2.564 -8.578 330 HE1 TYR 53 HE1 TYR 53 103.978 3.022 -3.678 331 HE2 TYR 53 HE2 TYR 53 103.508 4.748 -7.553 332 HH TYR 53 HH TYR 53 102.858 5.741 -5.539 333 H SER 54 HN SER 54 105.773 -2.288 -6.902 334 HA SER 54 HA SER 54 107.268 -1.948 -4.462 335 1HB SER 54 HB2 SER 54 105.170 -3.471 -4.980 336 2HB SER 54 HB1 SER 54 106.412 -4.644 -5.417 337 HG SER 54 HG SER 54 107.314 -4.319 -3.325 338 H LYS 55 HN LYS 55 108.641 -1.843 -7.174 339 HA LYS 55 HA LYS 55 110.815 -3.679 -6.453 340 1HB LYS 55 HB2 LYS 55 109.208 -4.150 -8.619 341 2HB LYS 55 HB1 LYS 55 110.517 -3.230 -9.344 342 1HG LYS 55 HG2 LYS 55 111.070 -5.574 -7.567 343 2HG LYS 55 HG1 LYS 55 110.691 -5.787 -9.278 344 1HD LYS 55 HD2 LYS 55 112.582 -4.460 -9.924 345 2HD LYS 55 HD1 LYS 55 112.896 -4.008 -8.246 346 1HE LYS 55 HE2 LYS 55 112.815 -6.901 -8.802 347 2HE LYS 55 HE1 LYS 55 114.156 -6.021 -9.536 348 1HZ LYS 55 HZ1 LYS 55 114.717 -6.877 -7.337 349 2HZ LYS 55 HZ2 LYS 55 113.458 -5.983 -6.648 350 3HZ LYS 55 HZ3 LYS 55 114.767 -5.186 -7.364 351 H SER 56 HN SER 56 109.771 -0.742 -8.083 352 HA SER 56 HA SER 56 112.548 0.174 -8.275 353 1HB SER 56 HB2 SER 56 110.061 1.552 -9.305 354 2HB SER 56 HB1 SER 56 111.735 1.917 -9.721 355 HG SER 56 HG SER 56 111.557 0.486 -11.232 356 H THR 57 HN THR 57 109.783 0.509 -6.292 357 HA THR 57 HA THR 57 110.882 2.963 -5.094 358 HB THR 57 HB THR 57 108.073 1.860 -4.909 359 HG1 THR 57 HG1 THR 57 108.694 2.789 -6.959 360 1HG2 THR 57 HG21 THR 57 108.623 3.138 -2.926 361 2HG2 THR 57 HG22 THR 57 107.481 4.016 -3.945 362 3HG2 THR 57 HG23 THR 57 109.183 4.477 -3.929 363 H ALA 58 HN ALA 58 110.110 -0.365 -4.542 364 HA ALA 58 HA ALA 58 110.627 -0.046 -1.663 365 1HB ALA 58 HB1 ALA 58 109.835 -2.599 -1.843 366 2HB ALA 58 HB2 ALA 58 109.001 -1.935 -3.249 367 3HB ALA 58 HB3 ALA 58 108.713 -1.251 -1.648 368 H ALA 59 HN ALA 59 111.571 -1.958 -4.495 369 HA ALA 59 HA ALA 59 113.681 -3.280 -3.032 370 1HB ALA 59 HB1 ALA 59 112.262 -4.041 -5.171 371 2HB ALA 59 HB2 ALA 59 113.869 -4.669 -4.809 372 3HB ALA 59 HB3 ALA 59 113.675 -3.371 -5.985 373 H MET 60 HN MET 60 113.388 -0.213 -4.084 374 HA MET 60 HA MET 60 116.259 0.009 -4.723 375 1HB MET 60 HB2 MET 60 113.967 1.736 -5.671 376 2HB MET 60 HB1 MET 60 115.665 2.093 -5.955 377 1HG MET 60 HG2 MET 60 114.227 -0.368 -6.922 378 2HG MET 60 HG1 MET 60 114.564 1.064 -7.893 379 1HE MET 60 HE1 MET 60 116.768 1.946 -8.461 380 2HE MET 60 HE2 MET 60 118.275 1.032 -8.528 381 3HE MET 60 HE3 MET 60 117.755 1.763 -7.009 382 H SER 61 HN SER 61 113.514 1.394 -3.002 383 HA SER 61 HA SER 61 115.136 3.432 -1.750 384 1HB SER 61 HB2 SER 61 112.763 3.861 -2.298 385 2HB SER 61 HB1 SER 61 112.285 2.598 -1.163 386 HG SER 61 HG SER 61 112.592 3.932 0.432 387 H THR 62 HN THR 62 114.441 0.158 -1.173 388 HA THR 62 HA THR 62 114.478 0.137 1.658 389 HB THR 62 HB THR 62 113.612 -1.750 0.380 390 HG1 THR 62 HG1 THR 62 114.776 -3.407 1.490 391 1HG2 THR 62 HG21 THR 62 115.235 -1.641 -1.499 392 2HG2 THR 62 HG22 THR 62 114.976 -3.259 -0.851 393 3HG2 THR 62 HG23 THR 62 116.436 -2.366 -0.432 394 H TYR 63 HN TYR 63 116.999 -0.129 -0.802 395 HA TYR 63 HA TYR 63 119.098 -0.660 1.069 396 1HB TYR 63 HB2 TYR 63 118.708 -0.739 -1.710 397 2HB TYR 63 HB1 TYR 63 120.002 0.417 -1.425 398 HD1 TYR 63 HD1 TYR 63 122.142 -0.446 -1.504 399 HD2 TYR 63 HD2 TYR 63 118.981 -2.943 -0.136 400 HE1 TYR 63 HE1 TYR 63 123.737 -2.294 -1.213 401 HE2 TYR 63 HE2 TYR 63 120.568 -4.799 0.159 402 HH TYR 63 HH TYR 63 123.233 -5.170 -1.172 403 H THR 64 HN THR 64 117.710 2.184 -0.443 404 HA THR 64 HA THR 64 119.748 4.028 -0.072 405 HB THR 64 HB THR 64 118.014 5.756 -0.053 406 HG1 THR 64 HG1 THR 64 115.870 5.214 0.132 407 1HG2 THR 64 HG21 THR 64 117.678 3.500 -1.969 408 2HG2 THR 64 HG22 THR 64 118.312 5.122 -2.241 409 3HG2 THR 64 HG23 THR 64 116.580 4.879 -2.018 410 H GLY 65 HN GLY 65 117.714 2.468 2.191 411 1HA GLY 65 HA2 GLY 65 118.183 4.310 4.359 412 2HA GLY 65 HA1 GLY 65 117.403 2.738 4.473 413 H ILE 66 HN ILE 66 119.776 1.555 2.996 414 HA ILE 66 HA ILE 66 121.495 1.320 5.364 415 HB ILE 66 HB ILE 66 121.244 -0.527 2.987 416 1HG1 ILE 66 HG12 ILE 66 120.376 -2.060 4.908 417 2HG1 ILE 66 HG11 ILE 66 120.089 -0.547 5.760 418 1HG2 ILE 66 HG21 ILE 66 123.135 -0.400 5.247 419 2HG2 ILE 66 HG22 ILE 66 123.337 -1.077 3.632 420 3HG2 ILE 66 HG23 ILE 66 122.481 -1.994 4.871 421 1HD1 ILE 66 HD11 ILE 66 118.147 -1.546 4.482 422 2HD1 ILE 66 HD12 ILE 66 118.999 -1.062 3.016 423 3HD1 ILE 66 HD13 ILE 66 118.501 0.156 4.190 424 H PHE 67 HN PHE 67 121.382 2.657 2.268 425 HA PHE 67 HA PHE 67 124.120 2.453 1.554 426 1HB PHE 67 HB2 PHE 67 121.780 3.252 0.343 427 2HB PHE 67 HB1 PHE 67 122.669 4.760 0.510 428 HD1 PHE 67 HD1 PHE 67 122.513 1.531 -1.147 429 HD2 PHE 67 HD2 PHE 67 124.822 5.065 -0.617 430 HE1 PHE 67 HE1 PHE 67 123.850 0.950 -3.131 431 HE2 PHE 67 HE2 PHE 67 126.162 4.493 -2.599 432 HZ PHE 67 HZ PHE 67 125.676 2.434 -3.860 433 H THR 68 HN THR 68 122.147 5.018 2.977 434 HA THR 68 HA THR 68 124.397 6.757 3.399 435 HB THR 68 HB THR 68 122.010 7.352 4.973 436 HG1 THR 68 HG1 THR 68 120.541 7.127 3.501 437 1HG2 THR 68 HG21 THR 68 122.056 9.432 3.637 438 2HG2 THR 68 HG22 THR 68 123.432 8.781 2.745 439 3HG2 THR 68 HG23 THR 68 123.569 9.090 4.476 440 H ASP 69 HN ASP 69 122.791 4.262 5.170 441 HA ASP 69 HA ASP 69 123.398 4.966 7.793 442 1HB ASP 69 HB2 ASP 69 121.925 3.056 6.973 443 2HB ASP 69 HB1 ASP 69 123.409 2.132 6.766 444 H GLN 70 HN GLN 70 125.426 3.680 5.285 445 HA GLN 70 HA GLN 70 127.570 3.119 7.177 446 1HB GLN 70 HB2 GLN 70 128.786 2.219 5.233 447 2HB GLN 70 HB1 GLN 70 127.212 1.466 5.438 448 1HG GLN 70 HG2 GLN 70 126.295 2.758 3.641 449 2HG GLN 70 HG1 GLN 70 127.779 3.700 3.505 450 1HE2 GLN 70 HE21 GLN 70 126.909 0.256 3.642 451 2HE2 GLN 70 HE22 GLN 70 127.861 -0.213 2.278 452 H VAL 71 HN VAL 71 126.451 5.807 5.753 453 HA VAL 71 HA VAL 71 129.075 6.948 5.103 454 HB VAL 71 HB VAL 71 126.297 8.080 4.730 455 1HG1 VAL 71 HG11 VAL 71 127.288 10.060 4.516 456 2HG1 VAL 71 HG12 VAL 71 128.108 9.432 3.087 457 3HG1 VAL 71 HG13 VAL 71 128.890 9.338 4.665 458 1HG2 VAL 71 HG21 VAL 71 127.294 7.800 2.245 459 2HG2 VAL 71 HG22 VAL 71 126.317 6.572 3.050 460 3HG2 VAL 71 HG23 VAL 71 128.075 6.438 3.048 461 H LEU 72 HN LEU 72 126.175 8.258 6.721 462 HA LEU 72 HA LEU 72 127.453 10.175 8.233 463 1HB LEU 72 HB2 LEU 72 125.463 9.800 9.835 464 2HB LEU 72 HB1 LEU 72 125.143 10.343 8.203 465 HG LEU 72 HG LEU 72 125.110 7.458 8.323 466 1HD1 LEU 72 HD11 LEU 72 124.150 7.096 10.295 467 2HD1 LEU 72 HD12 LEU 72 122.726 7.922 9.661 468 3HD1 LEU 72 HD13 LEU 72 123.928 8.821 10.588 469 1HD2 LEU 72 HD21 LEU 72 124.100 8.638 6.520 470 2HD2 LEU 72 HD22 LEU 72 123.100 9.587 7.619 471 3HD2 LEU 72 HD23 LEU 72 122.805 7.858 7.427 472 H SER 73 HN SER 73 127.234 6.748 8.716 473 HA SER 73 HA SER 73 128.016 6.667 11.451 474 1HB SER 73 HB2 SER 73 127.710 4.725 9.236 475 2HB SER 73 HB1 SER 73 128.752 4.256 10.577 476 HG SER 73 HG SER 73 126.986 4.696 11.982 477 H VAL 74 HN VAL 74 129.692 6.856 8.424 478 HA VAL 74 HA VAL 74 132.283 6.432 9.729 479 HB VAL 74 HB VAL 74 131.708 6.711 6.780 480 1HG1 VAL 74 HG11 VAL 74 134.001 7.203 7.313 481 2HG1 VAL 74 HG12 VAL 74 133.926 5.609 6.560 482 3HG1 VAL 74 HG13 VAL 74 134.126 5.750 8.306 483 1HG2 VAL 74 HG21 VAL 74 132.252 4.118 8.187 484 2HG2 VAL 74 HG22 VAL 74 131.589 4.387 6.575 485 3HG2 VAL 74 HG23 VAL 74 130.613 4.738 8.000 486 H LEU 75 HN LEU 75 130.237 8.875 8.422 487 HA LEU 75 HA LEU 75 132.238 10.767 7.733 488 1HB LEU 75 HB2 LEU 75 129.335 11.091 8.478 489 2HB LEU 75 HB1 LEU 75 130.350 12.422 7.958 490 HG LEU 75 HG LEU 75 129.838 9.976 6.277 491 1HD1 LEU 75 HD11 LEU 75 127.724 10.882 6.344 492 2HD1 LEU 75 HD12 LEU 75 128.429 11.751 4.983 493 3HD1 LEU 75 HD13 LEU 75 128.318 12.527 6.562 494 1HD2 LEU 75 HD21 LEU 75 131.636 10.851 5.243 495 2HD2 LEU 75 HD22 LEU 75 131.429 12.434 5.993 496 3HD2 LEU 75 HD23 LEU 75 130.459 11.990 4.589 497 H LYS 76 HN LYS 76 130.252 10.309 10.647 498 HA LYS 76 HA LYS 76 132.265 11.835 12.152 499 1HB LYS 76 HB2 LYS 76 129.487 12.427 11.652 500 2HB LYS 76 HB1 LYS 76 129.801 12.297 13.377 501 1HG LYS 76 HG2 LYS 76 131.686 13.922 11.767 502 2HG LYS 76 HG1 LYS 76 130.073 14.579 12.048 503 1HD LYS 76 HD2 LYS 76 131.118 13.500 14.492 504 2HD LYS 76 HD1 LYS 76 132.289 14.616 13.787 505 1HE LYS 76 HE2 LYS 76 130.897 15.915 15.189 506 2HE LYS 76 HE1 LYS 76 130.392 16.260 13.536 507 1HZ LYS 76 HZ1 LYS 76 128.352 15.776 14.235 508 2HZ LYS 76 HZ2 LYS 76 128.902 15.106 15.686 509 3HZ LYS 76 HZ3 LYS 76 128.829 14.154 14.291 510 H GLY 77 HN GLY 77 129.217 10.171 12.825 511 1HA GLY 77 HA2 GLY 77 130.302 7.898 14.070 512 2HA GLY 77 HA1 GLY 77 129.971 9.111 15.302 513 H GLU 78 HN GLU 78 128.303 8.155 12.338 514 HA GLU 78 HA GLU 78 126.256 7.252 11.967 515 1HB GLU 78 HB2 GLU 78 126.800 6.156 14.277 516 2HB GLU 78 HB1 GLU 78 125.576 7.269 14.864 517 1HG GLU 78 HG2 GLU 78 123.892 6.279 13.561 518 2HG GLU 78 HG1 GLU 78 125.062 5.416 12.563 519 H GLU 79 HN GLU 79 126.507 9.747 11.442 520 HA GLU 79 HA GLU 79 123.961 10.881 11.771 521 1HB GLU 79 HB2 GLU 79 125.111 11.199 14.101 522 2HB GLU 79 HB1 GLU 79 125.967 12.503 13.289 523 1HG GLU 79 HG2 GLU 79 123.625 13.307 12.585 524 2HG GLU 79 HG1 GLU 79 123.045 12.241 13.862 Start of MODEL 12 1 H THR 13 H THR 13 93.127 -15.757 -4.554 2 HA THR 13 HA THR 13 91.745 -18.256 -3.873 3 HB THR 13 HB THR 13 92.766 -17.663 -1.638 4 HG1 THR 13 HG1 THR 13 93.491 -15.699 -1.561 5 1HG2 THR 13 HG21 THR 13 95.058 -18.299 -2.203 6 2HG2 THR 13 HG22 THR 13 94.697 -18.053 -3.911 7 3HG2 THR 13 HG23 THR 13 93.867 -19.319 -3.008 8 H PHE 14 HN PHE 14 90.272 -18.084 -2.051 9 HA PHE 14 HA PHE 14 88.576 -15.720 -2.298 10 1HB PHE 14 HB2 PHE 14 88.193 -18.534 -1.582 11 2HB PHE 14 HB1 PHE 14 87.325 -17.428 -0.521 12 HD1 PHE 14 HD1 PHE 14 85.257 -16.633 -1.160 13 HD2 PHE 14 HD2 PHE 14 87.920 -18.115 -4.130 14 HE1 PHE 14 HE1 PHE 14 83.498 -16.373 -2.861 15 HE2 PHE 14 HE2 PHE 14 86.165 -17.859 -5.837 16 HZ PHE 14 HZ PHE 14 83.951 -16.985 -5.203 17 H LEU 15 HN LEU 15 90.565 -17.394 0.061 18 HA LEU 15 HA LEU 15 89.704 -16.073 2.382 19 1HB LEU 15 HB2 LEU 15 92.493 -17.073 1.814 20 2HB LEU 15 HB1 LEU 15 91.765 -16.820 3.390 21 HG LEU 15 HG LEU 15 90.803 -18.864 1.388 22 1HD1 LEU 15 HD11 LEU 15 92.197 -20.402 2.243 23 2HD1 LEU 15 HD12 LEU 15 92.085 -19.749 3.877 24 3HD1 LEU 15 HD13 LEU 15 93.167 -19.001 2.702 25 1HD2 LEU 15 HD21 LEU 15 88.990 -18.828 2.690 26 2HD2 LEU 15 HD22 LEU 15 89.789 -17.860 3.928 27 3HD2 LEU 15 HD23 LEU 15 89.997 -19.612 3.909 28 H THR 16 HN THR 16 92.205 -15.230 0.020 29 HA THR 16 HA THR 16 93.481 -13.156 1.277 30 HB THR 16 HB THR 16 94.208 -13.931 -0.884 31 HG1 THR 16 HG1 THR 16 93.338 -11.244 -1.127 32 1HG2 THR 16 HG21 THR 16 91.864 -14.296 -1.782 33 2HG2 THR 16 HG22 THR 16 93.069 -13.663 -2.904 34 3HG2 THR 16 HG23 THR 16 91.876 -12.580 -2.189 35 H GLN 17 HN GLN 17 90.240 -13.193 0.012 36 HA GLN 17 HA GLN 17 89.759 -10.466 -0.283 37 1HB GLN 17 HB2 GLN 17 88.003 -12.798 0.408 38 2HB GLN 17 HB1 GLN 17 87.345 -11.167 0.393 39 1HG GLN 17 HG2 GLN 17 87.902 -10.902 -1.923 40 2HG GLN 17 HG1 GLN 17 88.753 -12.446 -1.938 41 1HE2 GLN 17 HE21 GLN 17 87.134 -14.174 -0.780 42 2HE2 GLN 17 HE22 GLN 17 85.620 -14.289 -1.604 43 H VAL 18 HN VAL 18 89.672 -12.496 2.597 44 HA VAL 18 HA VAL 18 88.550 -10.619 4.370 45 HB VAL 18 HB VAL 18 90.536 -12.774 5.089 46 1HG1 VAL 18 HG11 VAL 18 89.574 -12.722 7.254 47 2HG1 VAL 18 HG12 VAL 18 88.251 -11.686 6.719 48 3HG1 VAL 18 HG13 VAL 18 89.892 -11.046 6.811 49 1HG2 VAL 18 HG21 VAL 18 88.927 -13.940 3.862 50 2HG2 VAL 18 HG22 VAL 18 87.608 -12.932 4.456 51 3HG2 VAL 18 HG23 VAL 18 88.379 -14.099 5.531 52 H LYS 19 HN LYS 19 91.862 -11.194 3.331 53 HA LYS 19 HA LYS 19 93.202 -9.654 5.256 54 1HB LYS 19 HB2 LYS 19 93.949 -10.101 2.368 55 2HB LYS 19 HB1 LYS 19 95.039 -9.586 3.646 56 1HG LYS 19 HG2 LYS 19 94.105 -11.866 4.724 57 2HG LYS 19 HG1 LYS 19 93.994 -12.263 3.008 58 1HD LYS 19 HD2 LYS 19 96.401 -11.413 2.842 59 2HD LYS 19 HD1 LYS 19 96.423 -11.504 4.604 60 1HE LYS 19 HE2 LYS 19 95.488 -13.871 3.061 61 2HE LYS 19 HE1 LYS 19 97.217 -13.528 3.115 62 1HZ LYS 19 HZ1 LYS 19 96.105 -15.024 4.914 63 2HZ LYS 19 HZ2 LYS 19 95.696 -13.546 5.625 64 3HZ LYS 19 HZ3 LYS 19 97.320 -13.930 5.349 65 H GLU 20 HN GLU 20 92.392 -8.791 1.908 66 HA GLU 20 HA GLU 20 93.048 -6.078 2.115 67 1HB GLU 20 HB2 GLU 20 91.070 -7.481 0.312 68 2HB GLU 20 HB1 GLU 20 91.527 -5.792 0.130 69 1HG GLU 20 HG2 GLU 20 93.511 -8.047 0.073 70 2HG GLU 20 HG1 GLU 20 92.712 -7.421 -1.368 71 H SER 21 HN SER 21 90.379 -7.843 3.335 72 HA SER 21 HA SER 21 88.557 -5.641 3.536 73 1HB SER 21 HB2 SER 21 88.421 -8.410 3.757 74 2HB SER 21 HB1 SER 21 88.095 -7.832 5.389 75 HG SER 21 HG SER 21 86.715 -7.189 3.001 76 H LEU 22 HN LEU 22 90.359 -7.537 5.965 77 HA LEU 22 HA LEU 22 89.809 -5.806 8.114 78 1HB LEU 22 HB2 LEU 22 91.313 -8.200 7.665 79 2HB LEU 22 HB1 LEU 22 92.311 -7.072 8.563 80 HG LEU 22 HG LEU 22 90.237 -6.837 10.113 81 1HD1 LEU 22 HD11 LEU 22 89.592 -9.266 8.497 82 2HD1 LEU 22 HD12 LEU 22 88.534 -7.959 9.027 83 3HD1 LEU 22 HD13 LEU 22 89.097 -9.163 10.186 84 1HD2 LEU 22 HD21 LEU 22 92.549 -8.193 10.305 85 2HD2 LEU 22 HD22 LEU 22 91.404 -9.528 10.428 86 3HD2 LEU 22 HD23 LEU 22 91.318 -8.186 11.568 87 H SER 23 HN SER 23 92.290 -5.824 5.656 88 HA SER 23 HA SER 23 93.994 -3.917 6.902 89 1HB SER 23 HB2 SER 23 94.838 -5.428 5.169 90 2HB SER 23 HB1 SER 23 93.754 -4.696 3.988 91 H SER 24 HN SER 24 91.296 -3.705 4.671 92 HA SER 24 HA SER 24 91.602 -0.976 4.011 93 1HB SER 24 HB2 SER 24 89.167 -2.761 4.023 94 2HB SER 24 HB1 SER 24 89.163 -1.107 3.411 95 HG SER 24 HG SER 24 89.566 -2.919 1.866 96 H TYR 25 HN TYR 25 90.065 -2.646 6.689 97 HA TYR 25 HA TYR 25 88.520 -0.596 7.751 98 1HB TYR 25 HB2 TYR 25 89.204 -3.174 8.414 99 2HB TYR 25 HB1 TYR 25 89.936 -2.248 9.714 100 HD1 TYR 25 HD1 TYR 25 88.228 -0.263 10.560 101 HD2 TYR 25 HD2 TYR 25 87.115 -4.011 8.883 102 HE1 TYR 25 HE1 TYR 25 86.040 -0.103 11.671 103 HE2 TYR 25 HE2 TYR 25 84.924 -3.862 9.987 104 HH TYR 25 HH TYR 25 84.250 -1.776 12.462 105 H TRP 26 HN TRP 26 91.940 -1.310 7.995 106 HA TRP 26 HA TRP 26 92.420 0.999 9.725 107 1HB TRP 26 HB2 TRP 26 94.118 -1.312 8.798 108 2HB TRP 26 HB1 TRP 26 94.835 0.104 9.560 109 HD1 TRP 26 HD1 TRP 26 91.554 -1.621 10.650 110 HE1 TRP 26 HE1 TRP 26 91.833 -2.401 13.087 111 HE3 TRP 26 HE3 TRP 26 96.475 -0.414 11.332 112 HZ2 TRP 26 HZ2 TRP 26 93.869 -2.495 15.039 113 HZ3 TRP 26 HZ3 TRP 26 97.512 -0.883 13.514 114 HH2 TRP 26 HH2 TRP 26 96.234 -1.901 15.328 115 H GLU 27 HN GLU 27 92.544 0.060 6.416 116 HA GLU 27 HA GLU 27 94.570 1.827 5.517 117 1HB GLU 27 HB2 GLU 27 93.446 -0.154 4.287 118 2HB GLU 27 HB1 GLU 27 92.209 1.014 3.842 119 1HG GLU 27 HG2 GLU 27 93.797 2.356 2.670 120 2HG GLU 27 HG1 GLU 27 95.138 1.381 3.268 121 H SER 28 HN SER 28 91.082 2.177 5.945 122 HA SER 28 HA SER 28 90.818 4.688 4.705 123 1HB SER 28 HB2 SER 28 88.742 3.830 5.043 124 2HB SER 28 HB1 SER 28 89.191 3.037 6.550 125 HG SER 28 HG SER 28 88.016 5.450 6.149 126 H ALA 29 HN ALA 29 91.666 3.728 7.982 127 HA ALA 29 HA ALA 29 91.564 6.277 9.175 128 1HB ALA 29 HB1 ALA 29 92.272 5.199 11.011 129 2HB ALA 29 HB2 ALA 29 93.691 4.551 10.189 130 3HB ALA 29 HB3 ALA 29 92.137 3.730 10.046 131 H LYS 30 HN LYS 30 93.983 4.565 7.321 132 HA LYS 30 HA LYS 30 96.026 6.567 7.663 133 1HB LYS 30 HB2 LYS 30 95.859 3.920 6.612 134 2HB LYS 30 HB1 LYS 30 96.518 4.960 5.357 135 1HG LYS 30 HG2 LYS 30 98.411 5.441 6.554 136 2HG LYS 30 HG1 LYS 30 97.634 5.147 8.110 137 1HD LYS 30 HD2 LYS 30 98.179 2.973 8.095 138 2HD LYS 30 HD1 LYS 30 97.735 2.783 6.398 139 1HE LYS 30 HE2 LYS 30 100.210 4.300 7.017 140 2HE LYS 30 HE1 LYS 30 100.244 2.553 7.249 141 1HZ LYS 30 HZ1 LYS 30 100.964 3.048 5.044 142 2HZ LYS 30 HZ2 LYS 30 99.600 4.002 4.740 143 3HZ LYS 30 HZ3 LYS 30 99.435 2.331 4.936 144 H THR 31 HN THR 31 93.402 5.960 5.469 145 HA THR 31 HA THR 31 94.293 7.532 3.293 146 HB THR 31 HB THR 31 91.497 6.819 4.183 147 HG1 THR 31 HG1 THR 31 91.719 5.060 2.958 148 1HG2 THR 31 HG21 THR 31 90.624 7.676 2.320 149 2HG2 THR 31 HG22 THR 31 92.034 7.264 1.343 150 3HG2 THR 31 HG23 THR 31 92.052 8.709 2.356 151 H ALA 32 HN ALA 32 92.266 8.232 6.117 152 HA ALA 32 HA ALA 32 91.495 10.825 5.493 153 1HB ALA 32 HB1 ALA 32 91.778 9.254 7.977 154 2HB ALA 32 HB2 ALA 32 90.406 10.180 7.370 155 3HB ALA 32 HB3 ALA 32 91.743 11.007 8.167 156 H ALA 33 HN ALA 33 94.552 9.558 6.407 157 HA ALA 33 HA ALA 33 95.692 12.084 7.214 158 1HB ALA 33 HB1 ALA 33 96.396 9.413 7.545 159 2HB ALA 33 HB2 ALA 33 97.334 10.823 8.038 160 3HB ALA 33 HB3 ALA 33 97.634 10.068 6.473 161 H GLN 34 HN GLN 34 95.540 10.099 4.324 162 HA GLN 34 HA GLN 34 97.461 11.602 2.832 163 1HB GLN 34 HB2 GLN 34 95.694 9.318 2.384 164 2HB GLN 34 HB1 GLN 34 95.836 10.355 0.972 165 1HG GLN 34 HG2 GLN 34 97.748 9.372 0.486 166 2HG GLN 34 HG1 GLN 34 98.437 10.033 1.967 167 1HE2 GLN 34 HE21 GLN 34 96.189 7.424 1.090 168 2HE2 GLN 34 HE22 GLN 34 96.944 6.215 2.066 169 H ASN 35 HN ASN 35 93.915 11.519 2.943 170 HA ASN 35 HA ASN 35 93.325 13.308 0.931 171 1HB ASN 35 HB2 ASN 35 91.934 11.886 2.792 172 2HB ASN 35 HB1 ASN 35 91.665 13.536 3.344 173 1HD2 ASN 35 HD21 ASN 35 89.864 11.527 2.112 174 2HD2 ASN 35 HD22 ASN 35 89.158 12.325 0.752 175 H LEU 36 HN LEU 36 93.929 13.979 4.369 176 HA LEU 36 HA LEU 36 93.486 16.688 4.427 177 1HB LEU 36 HB2 LEU 36 94.390 14.780 6.124 178 2HB LEU 36 HB1 LEU 36 95.840 15.740 5.907 179 HG LEU 36 HG LEU 36 94.484 17.767 6.561 180 1HD1 LEU 36 HD11 LEU 36 92.520 16.074 7.938 181 2HD1 LEU 36 HD12 LEU 36 92.328 16.174 6.187 182 3HD1 LEU 36 HD13 LEU 36 92.324 17.645 7.162 183 1HD2 LEU 36 HD21 LEU 36 95.947 16.972 8.194 184 2HD2 LEU 36 HD22 LEU 36 95.018 15.492 8.438 185 3HD2 LEU 36 HD23 LEU 36 94.388 17.035 9.017 186 H TYR 37 HN TYR 37 96.309 14.938 3.260 187 HA TYR 37 HA TYR 37 97.894 17.305 2.898 188 1HB TYR 37 HB2 TYR 37 98.233 14.405 2.281 189 2HB TYR 37 HB1 TYR 37 99.256 15.567 1.442 190 HD1 TYR 37 HD1 TYR 37 100.674 17.146 2.839 191 HD2 TYR 37 HD2 TYR 37 98.714 13.748 4.479 192 HE1 TYR 37 HE1 TYR 37 102.164 17.234 4.794 193 HE2 TYR 37 HE2 TYR 37 100.197 13.825 6.437 194 HH TYR 37 HH TYR 37 101.663 16.045 7.545 195 H GLU 38 HN GLU 38 96.154 15.105 0.805 196 HA GLU 38 HA GLU 38 95.141 16.904 -0.990 197 1HB GLU 38 HB2 GLU 38 97.983 16.414 -1.404 198 2HB GLU 38 HB1 GLU 38 97.026 16.084 -2.841 199 1HG GLU 38 HG2 GLU 38 96.140 18.539 -1.717 200 2HG GLU 38 HG1 GLU 38 97.898 18.577 -1.834 201 H LYS 39 HN LYS 39 96.264 13.725 -0.275 202 HA LYS 39 HA LYS 39 95.342 11.699 -0.731 203 1HB LYS 39 HB2 LYS 39 93.288 13.458 -1.446 204 2HB LYS 39 HB1 LYS 39 93.461 12.370 -2.817 205 1HG LYS 39 HG2 LYS 39 93.524 10.621 -0.742 206 2HG LYS 39 HG1 LYS 39 92.440 11.866 -0.118 207 1HD LYS 39 HD2 LYS 39 91.065 10.293 -1.232 208 2HD LYS 39 HD1 LYS 39 91.185 11.687 -2.306 209 1HE LYS 39 HE2 LYS 39 91.608 10.054 -3.827 210 2HE LYS 39 HE1 LYS 39 93.251 10.292 -3.235 211 1HZ LYS 39 HZ1 LYS 39 92.992 8.018 -3.133 212 2HZ LYS 39 HZ2 LYS 39 91.374 8.101 -2.649 213 3HZ LYS 39 HZ3 LYS 39 92.604 8.473 -1.550 214 H THR 40 HN THR 40 96.898 13.684 -2.881 215 HA THR 40 HA THR 40 97.366 11.453 -4.729 216 HB THR 40 HB THR 40 96.871 14.356 -5.339 217 HG1 THR 40 HG1 THR 40 95.787 11.912 -6.274 218 1HG2 THR 40 HG21 THR 40 97.364 13.636 -7.751 219 2HG2 THR 40 HG22 THR 40 98.336 12.364 -7.010 220 3HG2 THR 40 HG23 THR 40 98.712 14.058 -6.695 221 H TYR 41 HN TYR 41 98.660 13.758 -2.607 222 HA TYR 41 HA TYR 41 101.140 14.302 -3.772 223 1HB TYR 41 HB2 TYR 41 99.813 15.031 -1.465 224 2HB TYR 41 HB1 TYR 41 101.204 14.139 -0.865 225 HD1 TYR 41 HD1 TYR 41 103.483 14.945 -1.307 226 HD2 TYR 41 HD2 TYR 41 100.073 17.164 -2.551 227 HE1 TYR 41 HE1 TYR 41 104.899 16.930 -1.628 228 HE2 TYR 41 HE2 TYR 41 101.480 19.154 -2.877 229 HH TYR 41 HH TYR 41 103.676 20.023 -1.993 230 H LEU 42 HN LEU 42 100.781 12.260 -0.885 231 HA LEU 42 HA LEU 42 102.767 10.436 -2.065 232 1HB LEU 42 HB2 LEU 42 103.662 10.109 0.227 233 2HB LEU 42 HB1 LEU 42 103.894 11.726 -0.408 234 HG LEU 42 HG LEU 42 101.547 12.035 0.935 235 1HD1 LEU 42 HD11 LEU 42 102.781 9.626 1.954 236 2HD1 LEU 42 HD12 LEU 42 101.201 10.324 2.310 237 3HD1 LEU 42 HD13 LEU 42 102.623 10.859 3.205 238 1HD2 LEU 42 HD21 LEU 42 103.217 12.778 2.850 239 2HD2 LEU 42 HD22 LEU 42 103.086 13.668 1.333 240 3HD2 LEU 42 HD23 LEU 42 104.405 12.522 1.573 241 HA PRO 43 HA PRO 43 99.059 8.134 -0.216 242 1HB PRO 43 HB2 PRO 43 97.582 7.600 -2.416 243 2HB PRO 43 HB1 PRO 43 97.366 9.069 -1.459 244 1HG PRO 43 HG2 PRO 43 98.778 8.693 -4.059 245 2HG PRO 43 HG1 PRO 43 97.789 10.050 -3.500 246 1HD PRO 43 HD2 PRO 43 100.548 10.017 -3.514 247 2HD PRO 43 HD1 PRO 43 99.554 11.065 -2.486 248 H ALA 44 HN ALA 44 99.067 6.938 -3.504 249 HA ALA 44 HA ALA 44 101.128 4.984 -3.024 250 1HB ALA 44 HB1 ALA 44 99.088 4.085 -1.859 251 2HB ALA 44 HB2 ALA 44 99.773 3.034 -3.098 252 3HB ALA 44 HB3 ALA 44 98.323 3.976 -3.444 253 H VAL 45 HN VAL 45 100.609 7.073 -4.947 254 HA VAL 45 HA VAL 45 100.511 5.442 -7.405 255 HB VAL 45 HB VAL 45 99.451 8.261 -7.173 256 1HG1 VAL 45 HG11 VAL 45 98.650 7.978 -9.388 257 2HG1 VAL 45 HG12 VAL 45 99.045 6.258 -9.384 258 3HG1 VAL 45 HG13 VAL 45 100.335 7.460 -9.391 259 1HG2 VAL 45 HG21 VAL 45 97.761 5.805 -7.514 260 2HG2 VAL 45 HG22 VAL 45 97.265 7.437 -7.063 261 3HG2 VAL 45 HG23 VAL 45 98.161 6.438 -5.917 262 H ASP 46 HN ASP 46 101.676 8.424 -5.875 263 HA ASP 46 HA ASP 46 103.309 9.383 -7.892 264 1HB ASP 46 HB2 ASP 46 103.059 9.761 -5.018 265 2HB ASP 46 HB1 ASP 46 104.730 9.908 -5.553 266 H GLU 47 HN GLU 47 104.113 7.032 -5.350 267 HA GLU 47 HA GLU 47 106.785 6.646 -6.289 268 1HB GLU 47 HB2 GLU 47 105.028 5.320 -4.271 269 2HB GLU 47 HB1 GLU 47 106.481 4.491 -4.810 270 1HG GLU 47 HG2 GLU 47 107.405 5.592 -3.084 271 2HG GLU 47 HG1 GLU 47 107.525 6.895 -4.266 272 H LYS 48 HN LYS 48 103.764 4.794 -6.560 273 HA LYS 48 HA LYS 48 104.712 2.578 -7.922 274 1HB LYS 48 HB2 LYS 48 102.394 2.830 -7.086 275 2HB LYS 48 HB1 LYS 48 102.072 3.983 -8.375 276 1HG LYS 48 HG2 LYS 48 103.138 1.563 -9.480 277 2HG LYS 48 HG1 LYS 48 101.764 1.198 -8.435 278 1HD LYS 48 HD2 LYS 48 101.296 3.508 -10.145 279 2HD LYS 48 HD1 LYS 48 101.638 2.039 -11.062 280 1HE LYS 48 HE2 LYS 48 99.235 2.336 -10.635 281 2HE LYS 48 HE1 LYS 48 99.870 0.864 -9.900 282 1HZ LYS 48 HZ1 LYS 48 98.399 2.033 -8.390 283 2HZ LYS 48 HZ2 LYS 48 99.358 3.424 -8.484 284 3HZ LYS 48 HZ3 LYS 48 99.977 2.018 -7.777 285 H LEU 49 HN LEU 49 104.225 5.826 -9.018 286 HA LEU 49 HA LEU 49 104.694 5.075 -11.810 287 1HB LEU 49 HB2 LEU 49 103.612 7.479 -10.423 288 2HB LEU 49 HB1 LEU 49 104.403 7.711 -11.970 289 HG LEU 49 HG LEU 49 102.149 5.751 -11.595 290 1HD1 LEU 49 HD11 LEU 49 101.551 8.147 -10.994 291 2HD1 LEU 49 HD12 LEU 49 100.589 7.376 -12.256 292 3HD1 LEU 49 HD13 LEU 49 101.850 8.531 -12.690 293 1HD2 LEU 49 HD21 LEU 49 101.971 6.385 -14.115 294 2HD2 LEU 49 HD22 LEU 49 103.188 5.225 -13.585 295 3HD2 LEU 49 HD23 LEU 49 103.646 6.897 -13.910 296 H ARG 50 HN ARG 50 106.269 6.466 -9.052 297 HA ARG 50 HA ARG 50 108.562 7.239 -10.744 298 1HB ARG 50 HB2 ARG 50 107.259 8.852 -9.031 299 2HB ARG 50 HB1 ARG 50 108.434 8.154 -7.926 300 1HG ARG 50 HG2 ARG 50 110.198 9.177 -8.929 301 2HG ARG 50 HG1 ARG 50 109.436 9.179 -10.520 302 1HD ARG 50 HD2 ARG 50 109.588 11.442 -9.695 303 2HD ARG 50 HD1 ARG 50 107.897 10.944 -9.748 304 HE ARG 50 HE ARG 50 107.798 11.156 -7.471 305 1HH1 ARG 50 HH11 ARG 50 111.146 11.118 -8.458 306 2HH1 ARG 50 HH12 ARG 50 111.744 11.518 -6.883 307 1HH2 ARG 50 HH21 ARG 50 108.583 11.683 -5.399 308 2HH2 ARG 50 HH22 ARG 50 110.290 11.839 -5.146 309 H ASP 51 HN ASP 51 107.956 4.538 -9.821 310 HA ASP 51 HA ASP 51 110.078 4.063 -7.851 311 1HB ASP 51 HB2 ASP 51 107.615 2.633 -8.650 312 2HB ASP 51 HB1 ASP 51 108.997 1.611 -8.267 313 H LEU 52 HN LEU 52 108.964 2.913 -11.027 314 HA LEU 52 HA LEU 52 111.010 1.159 -11.627 315 1HB LEU 52 HB2 LEU 52 110.551 1.753 -14.026 316 2HB LEU 52 HB1 LEU 52 109.151 1.271 -13.087 317 HG LEU 52 HG LEU 52 109.663 4.176 -13.171 318 1HD1 LEU 52 HD11 LEU 52 109.169 4.575 -15.374 319 2HD1 LEU 52 HD12 LEU 52 108.401 3.004 -15.603 320 3HD1 LEU 52 HD13 LEU 52 110.159 3.122 -15.517 321 1HD2 LEU 52 HD21 LEU 52 107.507 4.231 -12.627 322 2HD2 LEU 52 HD22 LEU 52 107.577 2.475 -12.485 323 3HD2 LEU 52 HD23 LEU 52 107.063 3.217 -14.000 324 H TYR 53 HN TYR 53 111.078 4.618 -11.484 325 HA TYR 53 HA TYR 53 113.633 4.789 -12.892 326 1HB TYR 53 HB2 TYR 53 111.531 6.476 -12.852 327 2HB TYR 53 HB1 TYR 53 112.483 7.168 -11.542 328 HD1 TYR 53 HD1 TYR 53 114.996 7.616 -12.080 329 HD2 TYR 53 HD2 TYR 53 111.989 7.090 -15.042 330 HE1 TYR 53 HE1 TYR 53 116.428 8.750 -13.726 331 HE2 TYR 53 HE2 TYR 53 113.410 8.224 -16.696 332 HH TYR 53 HH TYR 53 116.280 9.907 -15.811 333 H SER 54 HN SER 54 112.343 5.854 -9.739 334 HA SER 54 HA SER 54 115.047 6.065 -8.677 335 1HB SER 54 HB2 SER 54 112.333 6.846 -7.625 336 2HB SER 54 HB1 SER 54 113.779 6.906 -6.618 337 HG SER 54 HG SER 54 113.154 8.882 -7.829 338 H LYS 55 HN LYS 55 113.995 3.394 -9.267 339 HA LYS 55 HA LYS 55 114.616 2.211 -6.709 340 1HB LYS 55 HB2 LYS 55 111.946 2.603 -7.244 341 2HB LYS 55 HB1 LYS 55 112.204 0.949 -7.783 342 1HG LYS 55 HG2 LYS 55 113.499 1.064 -5.339 343 2HG LYS 55 HG1 LYS 55 112.039 2.026 -5.101 344 1HD LYS 55 HD2 LYS 55 111.045 0.052 -4.708 345 2HD LYS 55 HD1 LYS 55 111.069 -0.132 -6.463 346 1HE LYS 55 HE2 LYS 55 112.437 -1.877 -6.303 347 2HE LYS 55 HE1 LYS 55 113.599 -0.927 -5.378 348 1HZ LYS 55 HZ1 LYS 55 112.344 -1.441 -3.366 349 2HZ LYS 55 HZ2 LYS 55 112.875 -2.852 -4.132 350 3HZ LYS 55 HZ3 LYS 55 111.258 -2.376 -4.264 351 H SER 56 HN SER 56 113.580 1.633 -10.062 352 HA SER 56 HA SER 56 114.942 -0.946 -10.037 353 1HB SER 56 HB2 SER 56 113.434 0.399 -12.284 354 2HB SER 56 HB1 SER 56 114.010 -1.265 -12.264 355 HG SER 56 HG SER 56 112.501 -1.792 -10.798 356 H THR 57 HN THR 57 115.890 2.183 -10.484 357 HA THR 57 HA THR 57 118.060 1.350 -12.292 358 HB THR 57 HB THR 57 118.015 3.349 -13.453 359 HG1 THR 57 HG1 THR 57 117.543 5.228 -12.587 360 1HG2 THR 57 HG21 THR 57 115.138 3.029 -12.639 361 2HG2 THR 57 HG22 THR 57 115.943 2.222 -13.985 362 3HG2 THR 57 HG23 THR 57 115.722 3.972 -14.010 363 H ALA 58 HN ALA 58 117.108 3.317 -9.528 364 HA ALA 58 HA ALA 58 119.905 3.924 -8.942 365 1HB ALA 58 HB1 ALA 58 117.487 4.816 -7.388 366 2HB ALA 58 HB2 ALA 58 118.113 5.681 -8.792 367 3HB ALA 58 HB3 ALA 58 119.113 5.499 -7.350 368 H ALA 59 HN ALA 59 117.095 2.473 -7.298 369 HA ALA 59 HA ALA 59 118.601 1.552 -5.080 370 1HB ALA 59 HB1 ALA 59 116.086 0.182 -5.900 371 2HB ALA 59 HB2 ALA 59 116.018 1.866 -5.382 372 3HB ALA 59 HB3 ALA 59 116.654 0.634 -4.293 373 H MET 60 HN MET 60 118.533 0.520 -8.288 374 HA MET 60 HA MET 60 119.016 -2.280 -7.701 375 1HB MET 60 HB2 MET 60 119.109 -2.614 -10.062 376 2HB MET 60 HB1 MET 60 117.781 -1.507 -9.750 377 1HG MET 60 HG2 MET 60 118.759 -0.487 -11.534 378 2HG MET 60 HG1 MET 60 119.606 0.317 -10.212 379 1HE MET 60 HE1 MET 60 121.039 1.032 -12.265 380 2HE MET 60 HE2 MET 60 120.733 -0.164 -13.524 381 3HE MET 60 HE3 MET 60 122.369 0.070 -12.910 382 H SER 61 HN SER 61 120.806 0.574 -8.678 383 HA SER 61 HA SER 61 123.319 -0.905 -8.716 384 1HB SER 61 HB2 SER 61 122.360 1.644 -9.806 385 2HB SER 61 HB1 SER 61 123.974 1.744 -9.103 386 HG SER 61 HG SER 61 124.258 1.114 -11.191 387 H THR 62 HN THR 62 121.513 1.299 -6.724 388 HA THR 62 HA THR 62 123.682 2.097 -5.051 389 HB THR 62 HB THR 62 120.701 2.143 -4.540 390 HG1 THR 62 HG1 THR 62 121.180 3.463 -6.248 391 1HG2 THR 62 HG21 THR 62 121.777 4.232 -3.154 392 2HG2 THR 62 HG22 THR 62 122.948 2.944 -2.872 393 3HG2 THR 62 HG23 THR 62 121.250 2.700 -2.459 394 H TYR 63 HN TYR 63 121.690 -0.706 -5.236 395 HA TYR 63 HA TYR 63 121.864 -1.562 -2.544 396 1HB TYR 63 HB2 TYR 63 120.597 -2.381 -4.866 397 2HB TYR 63 HB1 TYR 63 121.724 -3.685 -4.516 398 HD1 TYR 63 HD1 TYR 63 118.941 -1.700 -3.078 399 HD2 TYR 63 HD2 TYR 63 121.280 -5.243 -2.800 400 HE1 TYR 63 HE1 TYR 63 117.387 -2.587 -1.391 401 HE2 TYR 63 HE2 TYR 63 119.732 -6.140 -1.113 402 HH TYR 63 HH TYR 63 116.713 -4.956 -0.573 403 H THR 64 HN THR 64 123.930 -1.806 -5.337 404 HA THR 64 HA THR 64 125.608 -3.894 -4.598 405 HB THR 64 HB THR 64 127.265 -2.929 -6.062 406 HG1 THR 64 HG1 THR 64 127.500 -0.857 -5.765 407 1HG2 THR 64 HG21 THR 64 124.984 -1.847 -7.529 408 2HG2 THR 64 HG22 THR 64 124.757 -3.490 -6.932 409 3HG2 THR 64 HG23 THR 64 126.130 -3.112 -7.972 410 H GLY 65 HN GLY 65 125.260 -0.732 -3.336 411 1HA GLY 65 HA2 GLY 65 127.741 -0.889 -1.797 412 2HA GLY 65 HA1 GLY 65 126.672 0.505 -1.903 413 H ILE 66 HN ILE 66 124.356 -1.468 -1.463 414 HA ILE 66 HA ILE 66 124.481 -1.330 1.444 415 HB ILE 66 HB ILE 66 122.130 -2.073 -0.297 416 1HG1 ILE 66 HG12 ILE 66 122.895 0.211 -0.775 417 2HG1 ILE 66 HG11 ILE 66 121.349 0.227 0.069 418 1HG2 ILE 66 HG21 ILE 66 121.188 -1.014 2.063 419 2HG2 ILE 66 HG22 ILE 66 122.574 -1.975 2.577 420 3HG2 ILE 66 HG23 ILE 66 121.272 -2.728 1.655 421 1HD1 ILE 66 HD11 ILE 66 122.911 1.947 0.870 422 2HD1 ILE 66 HD12 ILE 66 124.023 0.673 1.371 423 3HD1 ILE 66 HD13 ILE 66 122.439 0.809 2.134 424 H PHE 67 HN PHE 67 124.935 -3.577 -1.030 425 HA PHE 67 HA PHE 67 123.935 -5.937 0.082 426 1HB PHE 67 HB2 PHE 67 125.186 -5.238 -2.221 427 2HB PHE 67 HB1 PHE 67 126.471 -6.121 -1.406 428 HD1 PHE 67 HD1 PHE 67 126.552 -8.430 -1.555 429 HD2 PHE 67 HD2 PHE 67 122.885 -6.421 -2.350 430 HE1 PHE 67 HE1 PHE 67 125.544 -10.559 -2.263 431 HE2 PHE 67 HE2 PHE 67 121.870 -8.548 -3.059 432 HZ PHE 67 HZ PHE 67 123.200 -10.620 -3.015 433 H THR 68 HN THR 68 127.177 -4.531 0.252 434 HA THR 68 HA THR 68 128.127 -6.482 2.127 435 HB THR 68 HB THR 68 129.662 -4.000 1.984 436 HG1 THR 68 HG1 THR 68 130.081 -4.039 -0.174 437 1HG2 THR 68 HG21 THR 68 130.823 -5.905 2.689 438 2HG2 THR 68 HG22 THR 68 131.378 -5.602 1.042 439 3HG2 THR 68 HG23 THR 68 130.202 -6.879 1.355 440 H ASP 69 HN ASP 69 126.545 -3.410 2.333 441 HA ASP 69 HA ASP 69 127.361 -2.475 4.804 442 1HB ASP 69 HB2 ASP 69 124.843 -2.225 3.224 443 2HB ASP 69 HB1 ASP 69 124.844 -1.659 4.891 444 H GLN 70 HN GLN 70 125.349 -5.186 4.053 445 HA GLN 70 HA GLN 70 124.452 -5.443 6.816 446 1HB GLN 70 HB2 GLN 70 123.646 -6.602 4.214 447 2HB GLN 70 HB1 GLN 70 123.477 -7.655 5.611 448 1HG GLN 70 HG2 GLN 70 122.048 -6.061 6.704 449 2HG GLN 70 HG1 GLN 70 122.307 -4.891 5.411 450 1HE2 GLN 70 HE21 GLN 70 119.779 -5.655 6.162 451 2HE2 GLN 70 HE22 GLN 70 119.055 -6.578 4.893 452 H VAL 71 HN VAL 71 127.245 -6.072 5.384 453 HA VAL 71 HA VAL 71 127.629 -8.764 6.479 454 HB VAL 71 HB VAL 71 129.475 -7.075 4.785 455 1HG1 VAL 71 HG11 VAL 71 130.780 -9.113 4.494 456 2HG1 VAL 71 HG12 VAL 71 129.675 -9.986 5.554 457 3HG1 VAL 71 HG13 VAL 71 130.670 -8.683 6.201 458 1HG2 VAL 71 HG21 VAL 71 128.042 -9.537 3.859 459 2HG2 VAL 71 HG22 VAL 71 128.772 -8.247 2.903 460 3HG2 VAL 71 HG23 VAL 71 127.270 -7.953 3.779 461 H LEU 72 HN LEU 72 128.958 -5.479 6.695 462 HA LEU 72 HA LEU 72 130.643 -6.282 8.921 463 1HB LEU 72 HB2 LEU 72 131.072 -3.663 8.829 464 2HB LEU 72 HB1 LEU 72 131.890 -4.780 7.759 465 HG LEU 72 HG LEU 72 129.335 -3.577 6.814 466 1HD1 LEU 72 HD11 LEU 72 131.629 -1.952 6.111 467 2HD1 LEU 72 HD12 LEU 72 131.304 -1.926 7.844 468 3HD1 LEU 72 HD13 LEU 72 130.040 -1.469 6.703 469 1HD2 LEU 72 HD21 LEU 72 130.220 -5.042 5.259 470 2HD2 LEU 72 HD22 LEU 72 131.885 -4.606 5.642 471 3HD2 LEU 72 HD23 LEU 72 130.874 -3.497 4.717 472 H SER 73 HN SER 73 127.615 -4.811 8.253 473 HA SER 73 HA SER 73 127.275 -3.452 10.731 474 1HB SER 73 HB2 SER 73 125.983 -2.809 8.767 475 2HB SER 73 HB1 SER 73 125.242 -4.408 8.710 476 HG SER 73 HG SER 73 124.971 -2.499 10.792 477 H VAL 74 HN VAL 74 127.072 -6.733 9.751 478 HA VAL 74 HA VAL 74 125.739 -7.414 12.298 479 HB VAL 74 HB VAL 74 125.653 -9.079 9.790 480 1HG1 VAL 74 HG11 VAL 74 123.465 -9.547 11.518 481 2HG1 VAL 74 HG12 VAL 74 124.923 -9.548 12.509 482 3HG1 VAL 74 HG13 VAL 74 124.798 -10.633 11.125 483 1HG2 VAL 74 HG21 VAL 74 123.254 -8.284 9.666 484 2HG2 VAL 74 HG22 VAL 74 124.484 -7.103 9.218 485 3HG2 VAL 74 HG23 VAL 74 123.710 -7.014 10.800 486 H LEU 75 HN LEU 75 128.498 -7.895 10.267 487 HA LEU 75 HA LEU 75 129.345 -10.143 11.984 488 1HB LEU 75 HB2 LEU 75 130.556 -9.524 9.313 489 2HB LEU 75 HB1 LEU 75 130.604 -11.024 10.219 490 HG LEU 75 HG LEU 75 128.100 -9.890 8.976 491 1HD1 LEU 75 HD11 LEU 75 128.470 -11.060 7.073 492 2HD1 LEU 75 HD12 LEU 75 129.393 -12.319 7.895 493 3HD1 LEU 75 HD13 LEU 75 130.153 -10.773 7.516 494 1HD2 LEU 75 HD21 LEU 75 127.237 -11.314 10.503 495 2HD2 LEU 75 HD22 LEU 75 128.731 -12.240 10.647 496 3HD2 LEU 75 HD23 LEU 75 127.651 -12.515 9.280 497 H LYS 76 HN LYS 76 130.082 -6.878 11.209 498 HA LYS 76 HA LYS 76 132.810 -7.216 12.257 499 1HB LYS 76 HB2 LYS 76 131.547 -5.396 10.333 500 2HB LYS 76 HB1 LYS 76 132.670 -4.626 11.437 501 1HG LYS 76 HG2 LYS 76 133.412 -7.083 9.889 502 2HG LYS 76 HG1 LYS 76 133.583 -5.463 9.210 503 1HD LYS 76 HD2 LYS 76 134.867 -4.960 11.413 504 2HD LYS 76 HD1 LYS 76 135.022 -6.715 11.518 505 1HE LYS 76 HE2 LYS 76 135.717 -5.363 8.957 506 2HE LYS 76 HE1 LYS 76 136.846 -5.249 10.307 507 1HZ LYS 76 HZ1 LYS 76 137.603 -7.186 9.522 508 2HZ LYS 76 HZ2 LYS 76 136.205 -7.507 8.628 509 3HZ LYS 76 HZ3 LYS 76 136.253 -7.873 10.278 510 H GLY 77 HN GLY 77 129.709 -6.194 13.135 511 1HA GLY 77 HA2 GLY 77 129.345 -5.708 15.493 512 2HA GLY 77 HA1 GLY 77 130.827 -4.757 15.459 513 H GLU 78 HN GLU 78 128.145 -4.837 13.163 514 HA GLU 78 HA GLU 78 126.705 -3.250 12.434 515 1HB GLU 78 HB2 GLU 78 126.551 -3.072 15.065 516 2HB GLU 78 HB1 GLU 78 127.258 -1.491 14.764 517 1HG GLU 78 HG2 GLU 78 125.370 -0.671 13.852 518 2HG GLU 78 HG1 GLU 78 124.958 -2.197 13.071 519 H GLU 79 HN GLU 79 129.022 -3.136 11.166 520 HA GLU 79 HA GLU 79 129.776 -0.280 11.206 521 1HB GLU 79 HB2 GLU 79 131.404 -2.691 10.395 522 2HB GLU 79 HB1 GLU 79 131.916 -1.029 10.139 523 1HG GLU 79 HG2 GLU 79 131.610 -0.748 12.663 524 2HG GLU 79 HG1 GLU 79 131.566 -2.509 12.718 Start of MODEL 13 1 H THR 13 H THR 13 100.456 14.122 10.041 2 HA THR 13 HA THR 13 99.944 16.754 8.835 3 HB THR 13 HB THR 13 98.224 15.245 7.550 4 HG1 THR 13 HG1 THR 13 98.522 13.239 8.130 5 1HG2 THR 13 HG21 THR 13 101.141 15.395 6.858 6 2HG2 THR 13 HG22 THR 13 99.832 16.434 6.292 7 3HG2 THR 13 HG23 THR 13 99.912 14.751 5.769 8 H PHE 14 HN PHE 14 98.331 17.772 9.815 9 HA PHE 14 HA PHE 14 96.960 16.557 12.026 10 1HB PHE 14 HB2 PHE 14 97.707 19.029 11.724 11 2HB PHE 14 HB1 PHE 14 96.206 19.205 10.821 12 HD1 PHE 14 HD1 PHE 14 94.129 19.369 11.919 13 HD2 PHE 14 HD2 PHE 14 97.624 18.332 14.114 14 HE1 PHE 14 HE1 PHE 14 92.892 19.671 14.025 15 HE2 PHE 14 HE2 PHE 14 96.394 18.632 16.224 16 HZ PHE 14 HZ PHE 14 94.024 19.302 16.180 17 H LEU 15 HN LEU 15 96.095 17.541 8.744 18 HA LEU 15 HA LEU 15 93.345 16.619 9.138 19 1HB LEU 15 HB2 LEU 15 94.552 17.829 6.656 20 2HB LEU 15 HB1 LEU 15 92.850 17.653 7.038 21 HG LEU 15 HG LEU 15 94.413 19.257 8.961 22 1HD1 LEU 15 HD11 LEU 15 93.918 21.211 7.202 23 2HD1 LEU 15 HD12 LEU 15 94.298 19.904 6.081 24 3HD1 LEU 15 HD13 LEU 15 95.470 20.381 7.309 25 1HD2 LEU 15 HD21 LEU 15 91.853 19.936 7.545 26 2HD2 LEU 15 HD22 LEU 15 92.431 20.503 9.112 27 3HD2 LEU 15 HD23 LEU 15 91.901 18.832 8.919 28 H THR 16 HN THR 16 96.061 16.048 6.897 29 HA THR 16 HA THR 16 95.006 14.083 5.313 30 HB THR 16 HB THR 16 97.795 13.659 6.261 31 HG1 THR 16 HG1 THR 16 96.929 15.981 4.887 32 1HG2 THR 16 HG21 THR 16 96.303 13.480 3.728 33 2HG2 THR 16 HG22 THR 16 97.603 12.471 4.361 34 3HG2 THR 16 HG23 THR 16 97.976 14.028 3.623 35 H GLN 17 HN GLN 17 96.015 13.798 8.640 36 HA GLN 17 HA GLN 17 96.202 10.978 8.746 37 1HB GLN 17 HB2 GLN 17 96.808 12.964 10.474 38 2HB GLN 17 HB1 GLN 17 95.302 12.396 11.179 39 1HG GLN 17 HG2 GLN 17 96.231 10.522 11.949 40 2HG GLN 17 HG1 GLN 17 97.139 10.247 10.464 41 1HE2 GLN 17 HE21 GLN 17 99.111 11.482 10.171 42 2HE2 GLN 17 HE22 GLN 17 100.042 11.929 11.556 43 H VAL 18 HN VAL 18 93.511 13.153 8.754 44 HA VAL 18 HA VAL 18 91.660 11.151 9.779 45 HB VAL 18 HB VAL 18 91.005 13.883 8.677 46 1HG1 VAL 18 HG11 VAL 18 89.483 11.728 9.993 47 2HG1 VAL 18 HG12 VAL 18 88.952 12.960 8.847 48 3HG1 VAL 18 HG13 VAL 18 89.146 13.366 10.553 49 1HG2 VAL 18 HG21 VAL 18 92.464 14.385 10.425 50 2HG2 VAL 18 HG22 VAL 18 91.901 13.034 11.409 51 3HG2 VAL 18 HG23 VAL 18 90.874 14.449 11.185 52 H LYS 19 HN LYS 19 92.484 12.726 6.739 53 HA LYS 19 HA LYS 19 90.317 11.786 5.200 54 1HB LYS 19 HB2 LYS 19 93.110 12.664 4.516 55 2HB LYS 19 HB1 LYS 19 91.981 12.130 3.279 56 1HG LYS 19 HG2 LYS 19 91.240 14.303 5.199 57 2HG LYS 19 HG1 LYS 19 92.194 14.647 3.754 58 1HD LYS 19 HD2 LYS 19 90.298 13.309 2.546 59 2HD LYS 19 HD1 LYS 19 89.366 13.712 3.989 60 1HE LYS 19 HE2 LYS 19 90.477 16.116 3.387 61 2HE LYS 19 HE1 LYS 19 90.275 15.424 1.779 62 1HZ LYS 19 HZ1 LYS 19 87.912 14.909 2.568 63 2HZ LYS 19 HZ2 LYS 19 88.282 16.512 2.175 64 3HZ LYS 19 HZ3 LYS 19 88.209 16.034 3.796 65 H GLU 20 HN GLU 20 93.686 10.659 5.236 66 HA GLU 20 HA GLU 20 93.292 8.341 3.742 67 1HB GLU 20 HB2 GLU 20 95.362 9.275 5.667 68 2HB GLU 20 HB1 GLU 20 95.354 7.567 5.250 69 1HG GLU 20 HG2 GLU 20 95.344 9.694 3.142 70 2HG GLU 20 HG1 GLU 20 96.840 9.133 3.888 71 H SER 21 HN SER 21 92.410 9.068 6.980 72 HA SER 21 HA SER 21 92.287 6.359 7.912 73 1HB SER 21 HB2 SER 21 92.222 8.908 9.037 74 2HB SER 21 HB1 SER 21 90.623 8.244 9.354 75 HG SER 21 HG SER 21 92.443 7.784 10.901 76 H LEU 22 HN LEU 22 89.794 8.812 7.201 77 HA LEU 22 HA LEU 22 87.616 7.047 7.386 78 1HB LEU 22 HB2 LEU 22 87.845 9.717 7.183 79 2HB LEU 22 HB1 LEU 22 87.416 9.344 5.524 80 HG LEU 22 HG LEU 22 85.391 8.154 6.379 81 1HD1 LEU 22 HD11 LEU 22 84.681 8.598 8.680 82 2HD1 LEU 22 HD12 LEU 22 86.227 9.383 9.002 83 3HD1 LEU 22 HD13 LEU 22 86.174 7.661 8.626 84 1HD2 LEU 22 HD21 LEU 22 85.713 10.744 5.800 85 2HD2 LEU 22 HD22 LEU 22 85.178 10.891 7.474 86 3HD2 LEU 22 HD23 LEU 22 84.166 10.057 6.296 87 H SER 23 HN SER 23 89.751 7.907 4.753 88 HA SER 23 HA SER 23 88.221 6.731 2.672 89 1HB SER 23 HB2 SER 23 90.989 7.768 2.972 90 2HB SER 23 HB1 SER 23 90.707 6.630 1.654 91 H SER 24 HN SER 24 90.642 5.513 4.888 92 HA SER 24 HA SER 24 91.106 3.047 3.589 93 1HB SER 24 HB2 SER 24 91.385 3.835 6.491 94 2HB SER 24 HB1 SER 24 91.924 2.293 5.831 95 HG SER 24 HG SER 24 93.687 3.318 5.353 96 H TYR 25 HN TYR 25 88.665 4.150 5.863 97 HA TYR 25 HA TYR 25 87.599 1.742 6.710 98 1HB TYR 25 HB2 TYR 25 87.020 4.397 6.994 99 2HB TYR 25 HB1 TYR 25 85.645 3.836 6.052 100 HD1 TYR 25 HD1 TYR 25 87.245 3.841 9.297 101 HD2 TYR 25 HD2 TYR 25 84.179 2.030 6.969 102 HE1 TYR 25 HE1 TYR 25 86.209 2.970 11.350 103 HE2 TYR 25 HE2 TYR 25 83.134 1.155 9.016 104 HH TYR 25 HH TYR 25 84.711 1.238 12.065 105 H TRP 26 HN TRP 26 87.072 3.575 3.759 106 HA TRP 26 HA TRP 26 85.250 1.549 2.705 107 1HB TRP 26 HB2 TRP 26 84.788 4.007 2.419 108 2HB TRP 26 HB1 TRP 26 86.205 4.095 1.377 109 HD1 TRP 26 HD1 TRP 26 82.714 2.453 1.496 110 HE1 TRP 26 HE1 TRP 26 81.973 1.966 -0.921 111 HE3 TRP 26 HE3 TRP 26 86.993 3.804 -0.955 112 HZ2 TRP 26 HZ2 TRP 26 83.058 2.135 -3.522 113 HZ3 TRP 26 HZ3 TRP 26 87.059 3.612 -3.407 114 HH2 TRP 26 HH2 TRP 26 85.131 2.794 -4.663 115 H GLU 27 HN GLU 27 88.566 2.462 2.590 116 HA GLU 27 HA GLU 27 89.162 1.326 0.028 117 1HB GLU 27 HB2 GLU 27 90.520 3.049 1.445 118 2HB GLU 27 HB1 GLU 27 91.194 1.620 2.216 119 1HG GLU 27 HG2 GLU 27 91.740 0.829 -0.153 120 2HG GLU 27 HG1 GLU 27 91.426 2.494 -0.638 121 H SER 28 HN SER 28 89.166 0.156 3.347 122 HA SER 28 HA SER 28 90.499 -2.284 2.854 123 1HB SER 28 HB2 SER 28 90.441 -1.944 5.100 124 2HB SER 28 HB1 SER 28 88.875 -1.138 5.053 125 HG SER 28 HG SER 28 89.126 -3.394 6.013 126 H ALA 29 HN ALA 29 87.112 -1.321 2.709 127 HA ALA 29 HA ALA 29 86.027 -3.901 2.337 128 1HB ALA 29 HB1 ALA 29 84.377 -2.389 2.842 129 2HB ALA 29 HB2 ALA 29 84.204 -2.448 1.088 130 3HB ALA 29 HB3 ALA 29 85.084 -1.119 1.843 131 H LYS 30 HN LYS 30 87.490 -1.552 0.216 132 HA LYS 30 HA LYS 30 86.842 -3.038 -2.188 133 1HB LYS 30 HB2 LYS 30 88.062 -0.428 -1.539 134 2HB LYS 30 HB1 LYS 30 88.710 -1.217 -2.971 135 1HG LYS 30 HG2 LYS 30 85.776 -1.166 -2.777 136 2HG LYS 30 HG1 LYS 30 86.559 0.403 -2.974 137 1HD LYS 30 HD2 LYS 30 87.221 -0.049 -5.085 138 2HD LYS 30 HD1 LYS 30 87.560 -1.744 -4.725 139 1HE LYS 30 HE2 LYS 30 85.741 -2.069 -6.030 140 2HE LYS 30 HE1 LYS 30 84.894 -1.780 -4.512 141 1HZ LYS 30 HZ1 LYS 30 83.817 -0.347 -5.907 142 2HZ LYS 30 HZ2 LYS 30 85.189 -0.015 -6.837 143 3HZ LYS 30 HZ3 LYS 30 85.018 0.683 -5.306 144 H THR 31 HN THR 31 89.350 -2.907 0.171 145 HA THR 31 HA THR 31 91.437 -3.978 -1.471 146 HB THR 31 HB THR 31 91.072 -3.629 1.496 147 HG1 THR 31 HG1 THR 31 92.336 -1.930 1.219 148 1HG2 THR 31 HG21 THR 31 93.544 -4.666 0.141 149 2HG2 THR 31 HG22 THR 31 92.463 -5.611 1.165 150 3HG2 THR 31 HG23 THR 31 93.369 -4.260 1.848 151 H ALA 32 HN ALA 32 89.275 -5.306 1.028 152 HA ALA 32 HA ALA 32 90.209 -7.937 0.976 153 1HB ALA 32 HB1 ALA 32 88.718 -7.109 2.717 154 2HB ALA 32 HB2 ALA 32 88.043 -8.548 1.952 155 3HB ALA 32 HB3 ALA 32 87.413 -6.953 1.540 156 H ALA 33 HN ALA 33 88.303 -6.165 -1.265 157 HA ALA 33 HA ALA 33 87.313 -8.538 -2.628 158 1HB ALA 33 HB1 ALA 33 85.831 -7.179 -3.643 159 2HB ALA 33 HB2 ALA 33 87.033 -5.927 -3.953 160 3HB ALA 33 HB3 ALA 33 86.276 -6.050 -2.365 161 H GLN 34 HN GLN 34 89.895 -6.220 -2.858 162 HA GLN 34 HA GLN 34 90.608 -6.891 -5.568 163 1HB GLN 34 HB2 GLN 34 91.178 -4.794 -3.844 164 2HB GLN 34 HB1 GLN 34 92.708 -5.651 -3.966 165 1HG GLN 34 HG2 GLN 34 93.094 -4.704 -5.920 166 2HG GLN 34 HG1 GLN 34 91.628 -5.430 -6.575 167 1HE2 GLN 34 HE21 GLN 34 89.601 -4.248 -6.152 168 2HE2 GLN 34 HE22 GLN 34 89.647 -2.521 -6.161 169 H ASN 35 HN ASN 35 91.614 -7.823 -2.331 170 HA ASN 35 HA ASN 35 93.988 -9.121 -2.849 171 1HB ASN 35 HB2 ASN 35 92.360 -8.730 -0.693 172 2HB ASN 35 HB1 ASN 35 92.230 -10.471 -0.924 173 1HD2 ASN 35 HD21 ASN 35 94.105 -7.939 0.289 174 2HD2 ASN 35 HD22 ASN 35 95.510 -8.852 0.712 175 H LEU 36 HN LEU 36 90.767 -10.666 -2.625 176 HA LEU 36 HA LEU 36 91.619 -13.171 -3.561 177 1HB LEU 36 HB2 LEU 36 89.346 -12.022 -2.502 178 2HB LEU 36 HB1 LEU 36 88.844 -12.500 -4.110 179 HG LEU 36 HG LEU 36 90.304 -14.646 -2.839 180 1HD1 LEU 36 HD11 LEU 36 87.770 -13.894 -1.414 181 2HD1 LEU 36 HD12 LEU 36 89.363 -13.433 -0.814 182 3HD1 LEU 36 HD13 LEU 36 88.945 -15.138 -0.989 183 1HD2 LEU 36 HD21 LEU 36 87.462 -14.376 -3.809 184 2HD2 LEU 36 HD22 LEU 36 88.261 -15.892 -3.389 185 3HD2 LEU 36 HD23 LEU 36 88.842 -14.936 -4.753 186 H TYR 37 HN TYR 37 90.636 -10.261 -5.193 187 HA TYR 37 HA TYR 37 90.329 -11.612 -7.756 188 1HB TYR 37 HB2 TYR 37 89.036 -9.495 -6.710 189 2HB TYR 37 HB1 TYR 37 90.291 -8.657 -7.618 190 HD1 TYR 37 HD1 TYR 37 90.459 -8.996 -10.082 191 HD2 TYR 37 HD2 TYR 37 87.213 -10.550 -7.813 192 HE1 TYR 37 HE1 TYR 37 89.163 -9.293 -12.150 193 HE2 TYR 37 HE2 TYR 37 85.908 -10.851 -9.876 194 HH TYR 37 HH TYR 37 86.282 -9.437 -12.513 195 H GLU 38 HN GLU 38 92.931 -10.501 -6.032 196 HA GLU 38 HA GLU 38 94.537 -10.359 -8.449 197 1HB GLU 38 HB2 GLU 38 94.208 -8.068 -6.545 198 2HB GLU 38 HB1 GLU 38 95.709 -8.278 -7.435 199 1HG GLU 38 HG2 GLU 38 92.984 -8.026 -8.686 200 2HG GLU 38 HG1 GLU 38 94.152 -6.717 -8.520 201 H LYS 39 HN LYS 39 94.813 -9.763 -4.946 202 HA LYS 39 HA LYS 39 97.449 -10.589 -4.664 203 1HB LYS 39 HB2 LYS 39 95.155 -10.686 -2.708 204 2HB LYS 39 HB1 LYS 39 96.815 -11.057 -2.262 205 1HG LYS 39 HG2 LYS 39 95.963 -8.441 -3.476 206 2HG LYS 39 HG1 LYS 39 96.070 -8.732 -1.739 207 1HD LYS 39 HD2 LYS 39 98.412 -9.086 -1.852 208 2HD LYS 39 HD1 LYS 39 98.382 -9.183 -3.613 209 1HE LYS 39 HE2 LYS 39 99.251 -7.022 -2.644 210 2HE LYS 39 HE1 LYS 39 97.955 -6.868 -3.828 211 1HZ LYS 39 HZ1 LYS 39 97.199 -7.038 -1.010 212 2HZ LYS 39 HZ2 LYS 39 96.487 -6.160 -2.269 213 3HZ LYS 39 HZ3 LYS 39 97.905 -5.594 -1.540 214 H THR 40 HN THR 40 94.479 -12.511 -4.359 215 HA THR 40 HA THR 40 95.942 -14.939 -3.880 216 HB THR 40 HB THR 40 93.040 -14.798 -4.647 217 HG1 THR 40 HG1 THR 40 92.636 -14.432 -2.402 218 1HG2 THR 40 HG21 THR 40 94.597 -16.559 -2.780 219 2HG2 THR 40 HG22 THR 40 93.864 -17.014 -4.318 220 3HG2 THR 40 HG23 THR 40 92.842 -16.576 -2.949 221 H TYR 41 HN TYR 41 94.442 -13.338 -6.608 222 HA TYR 41 HA TYR 41 94.298 -15.447 -8.415 223 1HB TYR 41 HB2 TYR 41 93.769 -12.759 -8.487 224 2HB TYR 41 HB1 TYR 41 95.144 -12.885 -9.579 225 HD1 TYR 41 HD1 TYR 41 94.223 -12.594 -11.703 226 HD2 TYR 41 HD2 TYR 41 92.381 -15.316 -9.001 227 HE1 TYR 41 HE1 TYR 41 92.729 -13.357 -13.500 228 HE2 TYR 41 HE2 TYR 41 90.882 -16.087 -10.791 229 HH TYR 41 HH TYR 41 91.368 -15.751 -13.870 230 H LEU 42 HN LEU 42 97.039 -13.623 -7.288 231 HA LEU 42 HA LEU 42 98.773 -15.210 -9.062 232 1HB LEU 42 HB2 LEU 42 99.598 -12.526 -8.023 233 2HB LEU 42 HB1 LEU 42 100.213 -13.411 -9.405 234 HG LEU 42 HG LEU 42 97.477 -12.871 -9.919 235 1HD1 LEU 42 HD11 LEU 42 98.718 -10.229 -9.640 236 2HD1 LEU 42 HD12 LEU 42 98.285 -11.009 -8.120 237 3HD1 LEU 42 HD13 LEU 42 97.055 -10.742 -9.355 238 1HD2 LEU 42 HD21 LEU 42 98.296 -12.256 -11.924 239 2HD2 LEU 42 HD22 LEU 42 99.794 -12.949 -11.303 240 3HD2 LEU 42 HD23 LEU 42 99.527 -11.208 -11.220 241 HA PRO 43 HA PRO 43 100.351 -16.679 -5.156 242 1HB PRO 43 HB2 PRO 43 102.472 -18.074 -6.124 243 2HB PRO 43 HB1 PRO 43 100.808 -18.661 -6.219 244 1HG PRO 43 HG2 PRO 43 102.462 -17.305 -8.314 245 2HG PRO 43 HG1 PRO 43 101.386 -18.707 -8.471 246 1HD PRO 43 HD2 PRO 43 100.642 -16.216 -9.216 247 2HD PRO 43 HD1 PRO 43 99.490 -17.399 -8.564 248 H ALA 44 HN ALA 44 100.973 -14.549 -4.439 249 HA ALA 44 HA ALA 44 102.449 -12.990 -3.686 250 1HB ALA 44 HB1 ALA 44 103.630 -14.516 -2.462 251 2HB ALA 44 HB2 ALA 44 104.901 -13.945 -3.543 252 3HB ALA 44 HB3 ALA 44 104.078 -15.470 -3.876 253 H VAL 45 HN VAL 45 101.822 -12.774 -6.396 254 HA VAL 45 HA VAL 45 104.352 -12.143 -7.738 255 HB VAL 45 HB VAL 45 101.559 -12.052 -8.882 256 1HG1 VAL 45 HG11 VAL 45 103.186 -12.454 -10.979 257 2HG1 VAL 45 HG12 VAL 45 104.264 -11.518 -9.941 258 3HG1 VAL 45 HG13 VAL 45 102.703 -10.852 -10.421 259 1HG2 VAL 45 HG21 VAL 45 101.997 -14.312 -8.229 260 2HG2 VAL 45 HG22 VAL 45 103.619 -14.252 -8.919 261 3HG2 VAL 45 HG23 VAL 45 102.209 -14.203 -9.976 262 H ASP 46 HN ASP 46 101.792 -10.619 -6.049 263 HA ASP 46 HA ASP 46 101.558 -8.146 -7.248 264 1HB ASP 46 HB2 ASP 46 100.537 -9.227 -5.009 265 2HB ASP 46 HB1 ASP 46 101.735 -8.159 -4.284 266 H GLU 47 HN GLU 47 104.064 -9.277 -5.022 267 HA GLU 47 HA GLU 47 105.379 -6.803 -4.728 268 1HB GLU 47 HB2 GLU 47 107.321 -8.146 -4.001 269 2HB GLU 47 HB1 GLU 47 105.830 -8.612 -3.195 270 1HG GLU 47 HG2 GLU 47 105.679 -10.408 -5.053 271 2HG GLU 47 HG1 GLU 47 107.400 -10.084 -5.265 272 H LYS 48 HN LYS 48 105.938 -9.515 -6.961 273 HA LYS 48 HA LYS 48 108.177 -8.600 -8.281 274 1HB LYS 48 HB2 LYS 48 106.897 -10.783 -8.642 275 2HB LYS 48 HB1 LYS 48 105.849 -9.870 -9.720 276 1HG LYS 48 HG2 LYS 48 107.717 -9.350 -11.158 277 2HG LYS 48 HG1 LYS 48 108.830 -10.150 -10.047 278 1HD LYS 48 HD2 LYS 48 108.152 -12.247 -10.660 279 2HD LYS 48 HD1 LYS 48 106.523 -11.714 -11.080 280 1HE LYS 48 HE2 LYS 48 108.968 -10.995 -12.683 281 2HE LYS 48 HE1 LYS 48 107.976 -12.415 -13.015 282 1HZ LYS 48 HZ1 LYS 48 107.521 -10.201 -14.253 283 2HZ LYS 48 HZ2 LYS 48 106.704 -9.770 -12.837 284 3HZ LYS 48 HZ3 LYS 48 106.219 -11.135 -13.709 285 H LEU 49 HN LEU 49 104.869 -7.539 -8.522 286 HA LEU 49 HA LEU 49 105.410 -5.781 -10.770 287 1HB LEU 49 HB2 LEU 49 103.013 -6.647 -9.250 288 2HB LEU 49 HB1 LEU 49 102.952 -5.049 -9.970 289 HG LEU 49 HG LEU 49 103.735 -7.407 -11.642 290 1HD1 LEU 49 HD11 LEU 49 100.886 -6.563 -11.511 291 2HD1 LEU 49 HD12 LEU 49 101.500 -7.679 -10.291 292 3HD1 LEU 49 HD13 LEU 49 101.587 -8.106 -12.000 293 1HD2 LEU 49 HD21 LEU 49 103.239 -6.057 -13.427 294 2HD2 LEU 49 HD22 LEU 49 103.803 -4.858 -12.264 295 3HD2 LEU 49 HD23 LEU 49 102.075 -5.095 -12.517 296 H ARG 50 HN ARG 50 105.101 -5.662 -7.288 297 HA ARG 50 HA ARG 50 105.308 -2.730 -7.322 298 1HB ARG 50 HB2 ARG 50 103.689 -4.277 -5.832 299 2HB ARG 50 HB1 ARG 50 105.077 -4.201 -4.756 300 1HG ARG 50 HG2 ARG 50 104.345 -1.601 -5.835 301 2HG ARG 50 HG1 ARG 50 103.044 -2.360 -4.917 302 1HD ARG 50 HD2 ARG 50 105.870 -1.974 -3.936 303 2HD ARG 50 HD1 ARG 50 104.502 -0.944 -3.518 304 HE ARG 50 HE ARG 50 103.669 -3.421 -2.801 305 1HH1 ARG 50 HH11 ARG 50 106.517 -1.539 -2.072 306 2HH1 ARG 50 HH12 ARG 50 106.739 -2.252 -0.510 307 1HH2 ARG 50 HH21 ARG 50 103.961 -4.359 -0.748 308 2HH2 ARG 50 HH22 ARG 50 105.289 -3.853 0.242 309 H ASP 51 HN ASP 51 107.526 -4.562 -7.994 310 HA ASP 51 HA ASP 51 109.353 -4.174 -5.741 311 1HB ASP 51 HB2 ASP 51 109.077 -6.170 -7.765 312 2HB ASP 51 HB1 ASP 51 110.659 -5.420 -7.947 313 H LEU 52 HN LEU 52 108.929 -3.286 -9.134 314 HA LEU 52 HA LEU 52 111.322 -2.002 -9.637 315 1HB LEU 52 HB2 LEU 52 110.127 -0.693 -11.306 316 2HB LEU 52 HB1 LEU 52 109.614 -2.369 -11.341 317 HG LEU 52 HG LEU 52 107.718 -1.407 -9.718 318 1HD1 LEU 52 HD11 LEU 52 107.364 0.792 -9.784 319 2HD1 LEU 52 HD12 LEU 52 107.644 0.874 -11.522 320 3HD1 LEU 52 HD13 LEU 52 109.008 0.922 -10.407 321 1HD2 LEU 52 HD21 LEU 52 107.113 -2.615 -11.632 322 2HD2 LEU 52 HD22 LEU 52 107.845 -1.434 -12.717 323 3HD2 LEU 52 HD23 LEU 52 106.362 -1.034 -11.848 324 H TYR 53 HN TYR 53 108.501 -0.836 -7.895 325 HA TYR 53 HA TYR 53 109.193 1.867 -7.666 326 1HB TYR 53 HB2 TYR 53 107.057 0.443 -6.924 327 2HB TYR 53 HB1 TYR 53 107.871 0.516 -5.366 328 HD1 TYR 53 HD1 TYR 53 106.167 2.452 -7.963 329 HD2 TYR 53 HD2 TYR 53 108.134 2.632 -4.196 330 HE1 TYR 53 HE1 TYR 53 105.281 4.720 -7.616 331 HE2 TYR 53 HE2 TYR 53 107.250 4.899 -3.836 332 HH TYR 53 HH TYR 53 105.364 6.287 -4.618 333 H SER 54 HN SER 54 109.690 -0.769 -5.323 334 HA SER 54 HA SER 54 111.529 0.863 -3.787 335 1HB SER 54 HB2 SER 54 109.892 -0.617 -2.656 336 2HB SER 54 HB1 SER 54 110.703 -2.016 -3.358 337 HG SER 54 HG SER 54 112.234 -1.842 -1.921 338 H LYS 55 HN LYS 55 112.102 -0.304 -6.571 339 HA LYS 55 HA LYS 55 114.678 -1.541 -5.865 340 1HB LYS 55 HB2 LYS 55 112.741 -2.119 -8.059 341 2HB LYS 55 HB1 LYS 55 114.455 -2.302 -8.406 342 1HG LYS 55 HG2 LYS 55 114.658 -3.858 -6.520 343 2HG LYS 55 HG1 LYS 55 112.927 -3.697 -6.218 344 1HD LYS 55 HD2 LYS 55 112.925 -5.590 -7.502 345 2HD LYS 55 HD1 LYS 55 112.775 -4.369 -8.766 346 1HE LYS 55 HE2 LYS 55 114.535 -5.398 -9.695 347 2HE LYS 55 HE1 LYS 55 115.481 -4.543 -8.478 348 1HZ LYS 55 HZ1 LYS 55 114.318 -7.218 -7.974 349 2HZ LYS 55 HZ2 LYS 55 115.542 -6.431 -7.114 350 3HZ LYS 55 HZ3 LYS 55 115.848 -7.019 -8.669 351 H SER 56 HN SER 56 113.008 0.866 -7.743 352 HA SER 56 HA SER 56 115.580 1.858 -8.782 353 1HB SER 56 HB2 SER 56 112.824 2.726 -9.660 354 2HB SER 56 HB1 SER 56 114.360 3.012 -10.478 355 HG SER 56 HG SER 56 112.765 0.742 -10.422 356 H THR 57 HN THR 57 112.927 2.546 -6.672 357 HA THR 57 HA THR 57 113.826 5.308 -6.297 358 HB THR 57 HB THR 57 111.409 3.990 -5.060 359 HG1 THR 57 HG1 THR 57 110.258 4.956 -6.793 360 1HG2 THR 57 HG21 THR 57 112.482 6.707 -5.081 361 2HG2 THR 57 HG22 THR 57 111.355 5.932 -3.968 362 3HG2 THR 57 HG23 THR 57 110.773 6.587 -5.498 363 H ALA 58 HN ALA 58 113.786 2.190 -4.746 364 HA ALA 58 HA ALA 58 114.610 3.368 -2.192 365 1HB ALA 58 HB1 ALA 58 113.364 1.697 -1.409 366 2HB ALA 58 HB2 ALA 58 114.664 0.612 -1.900 367 3HB ALA 58 HB3 ALA 58 113.306 0.908 -2.983 368 H ALA 59 HN ALA 59 115.793 1.303 -4.780 369 HA ALA 59 HA ALA 59 118.245 0.593 -3.592 370 1HB ALA 59 HB1 ALA 59 117.790 0.940 -6.546 371 2HB ALA 59 HB2 ALA 59 117.205 -0.452 -5.634 372 3HB ALA 59 HB3 ALA 59 118.935 -0.133 -5.741 373 H MET 60 HN MET 60 117.120 3.567 -4.867 374 HA MET 60 HA MET 60 119.864 4.590 -5.123 375 1HB MET 60 HB2 MET 60 118.977 6.409 -6.382 376 2HB MET 60 HB1 MET 60 118.249 4.941 -7.008 377 1HG MET 60 HG2 MET 60 116.259 5.846 -6.745 378 2HG MET 60 HG1 MET 60 116.522 5.886 -5.006 379 1HE MET 60 HE1 MET 60 117.869 8.019 -3.830 380 2HE MET 60 HE2 MET 60 118.323 9.454 -4.749 381 3HE MET 60 HE3 MET 60 119.101 7.906 -5.086 382 H SER 61 HN SER 61 116.871 4.984 -3.371 383 HA SER 61 HA SER 61 117.754 7.312 -1.926 384 1HB SER 61 HB2 SER 61 115.412 7.185 -2.235 385 2HB SER 61 HB1 SER 61 115.351 5.506 -1.701 386 HG SER 61 HG SER 61 115.767 6.182 0.391 387 H THR 62 HN THR 62 117.660 3.849 -1.400 388 HA THR 62 HA THR 62 118.296 3.955 1.378 389 HB THR 62 HB THR 62 118.726 1.665 -0.549 390 HG1 THR 62 HG1 THR 62 116.454 2.209 1.053 391 1HG2 THR 62 HG21 THR 62 119.726 1.554 1.804 392 2HG2 THR 62 HG22 THR 62 118.718 0.215 1.260 393 3HG2 THR 62 HG23 THR 62 118.057 1.429 2.355 394 H TYR 63 HN TYR 63 120.139 4.046 -1.566 395 HA TYR 63 HA TYR 63 122.652 3.307 -0.462 396 1HB TYR 63 HB2 TYR 63 121.561 3.869 -2.981 397 2HB TYR 63 HB1 TYR 63 122.835 5.055 -2.738 398 HD1 TYR 63 HD1 TYR 63 122.151 1.405 -2.692 399 HD2 TYR 63 HD2 TYR 63 125.091 4.460 -3.031 400 HE1 TYR 63 HE1 TYR 63 123.828 -0.286 -3.303 401 HE2 TYR 63 HE2 TYR 63 126.777 2.778 -3.645 402 HH TYR 63 HH TYR 63 125.974 -0.401 -4.503 403 H THR 64 HN THR 64 120.847 6.278 -0.779 404 HA THR 64 HA THR 64 122.848 8.170 -0.412 405 HB THR 64 HB THR 64 121.137 9.683 0.299 406 HG1 THR 64 HG1 THR 64 119.659 7.356 0.946 407 1HG2 THR 64 HG21 THR 64 119.462 9.487 -1.340 408 2HG2 THR 64 HG22 THR 64 119.649 7.736 -1.432 409 3HG2 THR 64 HG23 THR 64 120.921 8.793 -2.044 410 H GLY 65 HN GLY 65 121.510 5.882 1.745 411 1HA GLY 65 HA2 GLY 65 122.643 7.176 4.107 412 2HA GLY 65 HA1 GLY 65 121.629 5.738 4.096 413 H ILE 66 HN ILE 66 123.371 4.699 1.810 414 HA ILE 66 HA ILE 66 125.334 3.438 3.543 415 HB ILE 66 HB ILE 66 124.794 2.866 0.632 416 1HG1 ILE 66 HG12 ILE 66 122.755 2.571 1.999 417 2HG1 ILE 66 HG11 ILE 66 123.365 1.038 1.384 418 1HG2 ILE 66 HG21 ILE 66 126.528 1.692 2.709 419 2HG2 ILE 66 HG22 ILE 66 126.734 1.756 0.959 420 3HG2 ILE 66 HG23 ILE 66 125.664 0.552 1.677 421 1HD1 ILE 66 HD11 ILE 66 124.465 0.700 3.608 422 2HD1 ILE 66 HD12 ILE 66 122.702 0.690 3.627 423 3HD1 ILE 66 HD13 ILE 66 123.582 2.117 4.178 424 H PHE 67 HN PHE 67 125.179 6.032 1.401 425 HA PHE 67 HA PHE 67 127.698 5.951 0.173 426 1HB PHE 67 HB2 PHE 67 125.504 7.562 0.070 427 2HB PHE 67 HB1 PHE 67 126.657 8.601 0.899 428 HD1 PHE 67 HD1 PHE 67 126.011 6.716 -2.197 429 HD2 PHE 67 HD2 PHE 67 128.501 9.564 -0.248 430 HE1 PHE 67 HE1 PHE 67 127.047 7.282 -4.356 431 HE2 PHE 67 HE2 PHE 67 129.541 10.137 -2.403 432 HZ PHE 67 HZ PHE 67 128.814 8.995 -4.461 433 H THR 68 HN THR 68 126.605 7.504 3.153 434 HA THR 68 HA THR 68 129.106 8.594 3.878 435 HB THR 68 HB THR 68 127.291 7.880 6.084 436 HG1 THR 68 HG1 THR 68 126.404 9.421 3.883 437 1HG2 THR 68 HG21 THR 68 128.417 9.613 6.886 438 2HG2 THR 68 HG22 THR 68 127.388 10.617 5.864 439 3HG2 THR 68 HG23 THR 68 128.971 10.100 5.285 440 H ASP 69 HN ASP 69 127.801 5.414 4.113 441 HA ASP 69 HA ASP 69 129.111 4.352 6.301 442 1HB ASP 69 HB2 ASP 69 127.470 3.311 4.469 443 2HB ASP 69 HB1 ASP 69 128.992 2.680 3.844 444 H GLN 70 HN GLN 70 130.393 5.251 3.207 445 HA GLN 70 HA GLN 70 132.950 3.958 3.780 446 1HB GLN 70 HB2 GLN 70 131.549 4.811 1.377 447 2HB GLN 70 HB1 GLN 70 133.218 5.365 1.394 448 1HG GLN 70 HG2 GLN 70 132.832 2.559 2.162 449 2HG GLN 70 HG1 GLN 70 132.406 2.950 0.496 450 1HE2 GLN 70 HE21 GLN 70 134.924 2.421 2.729 451 2HE2 GLN 70 HE22 GLN 70 136.251 2.704 1.659 452 H VAL 71 HN VAL 71 131.634 6.591 4.914 453 HA VAL 71 HA VAL 71 133.910 8.392 4.440 454 HB VAL 71 HB VAL 71 131.198 8.954 5.651 455 1HG1 VAL 71 HG11 VAL 71 131.800 11.287 5.604 456 2HG1 VAL 71 HG12 VAL 71 133.359 10.908 4.870 457 3HG1 VAL 71 HG13 VAL 71 133.015 10.399 6.524 458 1HG2 VAL 71 HG21 VAL 71 131.309 8.435 3.173 459 2HG2 VAL 71 HG22 VAL 71 132.241 9.922 3.004 460 3HG2 VAL 71 HG23 VAL 71 130.589 9.982 3.619 461 H LEU 72 HN LEU 72 131.794 7.414 7.156 462 HA LEU 72 HA LEU 72 133.724 8.261 9.074 463 1HB LEU 72 HB2 LEU 72 132.156 6.782 10.601 464 2HB LEU 72 HB1 LEU 72 131.659 8.366 10.041 465 HG LEU 72 HG LEU 72 130.903 6.039 8.355 466 1HD1 LEU 72 HD11 LEU 72 129.564 5.024 9.813 467 2HD1 LEU 72 HD12 LEU 72 128.921 6.555 10.404 468 3HD1 LEU 72 HD13 LEU 72 130.417 5.908 11.077 469 1HD2 LEU 72 HD21 LEU 72 129.103 8.254 9.207 470 2HD2 LEU 72 HD22 LEU 72 129.191 7.399 7.668 471 3HD2 LEU 72 HD23 LEU 72 130.410 8.605 8.076 472 H SER 73 HN SER 73 132.968 5.355 7.375 473 HA SER 73 HA SER 73 134.369 3.537 9.026 474 1HB SER 73 HB2 SER 73 132.643 2.871 7.381 475 2HB SER 73 HB1 SER 73 133.751 3.321 6.085 476 HG SER 73 HG SER 73 133.937 1.198 7.928 477 H VAL 74 HN VAL 74 135.417 5.981 6.936 478 HA VAL 74 HA VAL 74 138.091 4.748 6.780 479 HB VAL 74 HB VAL 74 136.943 6.721 4.811 480 1HG1 VAL 74 HG11 VAL 74 138.921 5.668 3.466 481 2HG1 VAL 74 HG12 VAL 74 139.541 5.276 5.070 482 3HG1 VAL 74 HG13 VAL 74 139.226 6.955 4.632 483 1HG2 VAL 74 HG21 VAL 74 137.466 4.002 3.874 484 2HG2 VAL 74 HG22 VAL 74 136.091 5.062 3.569 485 3HG2 VAL 74 HG23 VAL 74 136.157 4.110 5.051 486 H LEU 75 HN LEU 75 136.244 7.584 7.695 487 HA LEU 75 HA LEU 75 138.824 8.877 8.365 488 1HB LEU 75 HB2 LEU 75 138.036 10.988 7.765 489 2HB LEU 75 HB1 LEU 75 137.551 9.921 6.461 490 HG LEU 75 HG LEU 75 135.323 9.839 7.983 491 1HD1 LEU 75 HD11 LEU 75 136.728 11.779 9.276 492 2HD1 LEU 75 HD12 LEU 75 134.971 11.633 9.277 493 3HD1 LEU 75 HD13 LEU 75 135.765 12.729 8.145 494 1HD2 LEU 75 HD21 LEU 75 136.176 11.627 5.744 495 2HD2 LEU 75 HD22 LEU 75 134.564 11.785 6.442 496 3HD2 LEU 75 HD23 LEU 75 135.068 10.256 5.722 497 H LYS 76 HN LYS 76 136.064 7.577 9.790 498 HA LYS 76 HA LYS 76 136.323 9.457 12.061 499 1HB LYS 76 HB2 LYS 76 134.050 8.267 10.756 500 2HB LYS 76 HB1 LYS 76 134.045 7.890 12.468 501 1HG LYS 76 HG2 LYS 76 133.300 9.916 12.950 502 2HG LYS 76 HG1 LYS 76 134.683 10.649 12.135 503 1HD LYS 76 HD2 LYS 76 133.228 11.466 10.653 504 2HD LYS 76 HD1 LYS 76 133.039 9.814 10.061 505 1HE LYS 76 HE2 LYS 76 131.289 9.572 11.932 506 2HE LYS 76 HE1 LYS 76 131.318 11.334 11.989 507 1HZ LYS 76 HZ1 LYS 76 130.268 11.505 10.018 508 2HZ LYS 76 HZ2 LYS 76 129.699 9.960 10.407 509 3HZ LYS 76 HZ3 LYS 76 131.013 10.137 9.356 510 H GLY 77 HN GLY 77 137.052 6.347 11.030 511 1HA GLY 77 HA2 GLY 77 138.494 5.060 12.539 512 2HA GLY 77 HA1 GLY 77 137.362 5.457 13.829 513 H GLU 78 HN GLU 78 136.944 4.294 10.511 514 HA GLU 78 HA GLU 78 135.701 2.645 9.635 515 1HB GLU 78 HB2 GLU 78 136.130 0.466 10.467 516 2HB GLU 78 HB1 GLU 78 137.586 1.422 10.659 517 1HG GLU 78 HG2 GLU 78 137.455 1.429 12.942 518 2HG GLU 78 HG1 GLU 78 135.710 1.194 12.958 519 H GLU 79 HN GLU 79 133.939 4.320 10.530 520 HA GLU 79 HA GLU 79 131.731 4.444 11.097 521 1HB GLU 79 HB2 GLU 79 132.124 1.681 10.674 522 2HB GLU 79 HB1 GLU 79 131.219 1.824 12.173 523 1HG GLU 79 HG2 GLU 79 130.401 3.245 9.661 524 2HG GLU 79 HG1 GLU 79 129.884 1.601 10.035 Start of MODEL 14 1 H THR 13 H THR 13 90.692 -4.812 17.116 2 HA THR 13 HA THR 13 92.102 -4.384 19.194 3 HB THR 13 HB THR 13 93.904 -2.719 17.752 4 HG1 THR 13 HG1 THR 13 94.185 -5.435 17.013 5 1HG2 THR 13 HG21 THR 13 94.393 -5.204 19.370 6 2HG2 THR 13 HG22 THR 13 94.403 -3.538 19.950 7 3HG2 THR 13 HG23 THR 13 95.644 -4.089 18.823 8 H PHE 14 HN PHE 14 90.947 -3.073 16.230 9 HA PHE 14 HA PHE 14 89.653 -1.289 15.724 10 1HB PHE 14 HB2 PHE 14 88.332 -1.869 17.641 11 2HB PHE 14 HB1 PHE 14 89.476 -1.095 18.726 12 HD1 PHE 14 HD1 PHE 14 89.172 1.120 19.354 13 HD2 PHE 14 HD2 PHE 14 87.156 -0.372 15.917 14 HE1 PHE 14 HE1 PHE 14 87.914 3.230 19.181 15 HE2 PHE 14 HE2 PHE 14 85.894 1.733 15.737 16 HZ PHE 14 HZ PHE 14 86.273 3.537 17.370 17 H LEU 15 HN LEU 15 92.511 -0.912 17.579 18 HA LEU 15 HA LEU 15 92.594 1.966 17.387 19 1HB LEU 15 HB2 LEU 15 94.907 0.157 18.041 20 2HB LEU 15 HB1 LEU 15 94.679 1.833 18.501 21 HG LEU 15 HG LEU 15 92.595 0.037 19.519 22 1HD1 LEU 15 HD11 LEU 15 94.967 -1.180 19.544 23 2HD1 LEU 15 HD12 LEU 15 93.799 -1.337 20.855 24 3HD1 LEU 15 HD13 LEU 15 95.143 -0.204 21.002 25 1HD2 LEU 15 HD21 LEU 15 94.038 1.456 21.523 26 2HD2 LEU 15 HD22 LEU 15 92.408 1.747 20.918 27 3HD2 LEU 15 HD23 LEU 15 93.787 2.527 20.145 28 H THR 16 HN THR 16 94.281 -0.790 15.918 29 HA THR 16 HA THR 16 95.901 0.716 14.165 30 HB THR 16 HB THR 16 96.375 -1.624 14.718 31 HG1 THR 16 HG1 THR 16 96.752 -2.335 12.545 32 1HG2 THR 16 HG21 THR 16 93.808 -2.216 14.465 33 2HG2 THR 16 HG22 THR 16 95.079 -3.415 14.228 34 3HG2 THR 16 HG23 THR 16 94.332 -2.637 12.834 35 H GLN 17 HN GLN 17 92.588 -0.295 14.021 36 HA GLN 17 HA GLN 17 92.194 -0.114 11.236 37 1HB GLN 17 HB2 GLN 17 90.538 -0.386 13.623 38 2HB GLN 17 HB1 GLN 17 89.762 0.574 12.370 39 1HG GLN 17 HG2 GLN 17 91.014 -2.016 11.619 40 2HG GLN 17 HG1 GLN 17 89.472 -2.027 12.474 41 1HE2 GLN 17 HE21 GLN 17 90.294 -2.726 9.675 42 2HE2 GLN 17 HE22 GLN 17 89.205 -1.841 8.667 43 H VAL 18 HN VAL 18 92.161 2.268 13.805 44 HA VAL 18 HA VAL 18 90.969 4.371 12.323 45 HB VAL 18 HB VAL 18 92.866 4.658 14.653 46 1HG1 VAL 18 HG11 VAL 18 90.651 6.516 14.480 47 2HG1 VAL 18 HG12 VAL 18 91.670 6.574 13.042 48 3HG1 VAL 18 HG13 VAL 18 92.379 6.831 14.636 49 1HG2 VAL 18 HG21 VAL 18 89.935 4.007 14.572 50 2HG2 VAL 18 HG22 VAL 18 90.688 4.758 15.977 51 3HG2 VAL 18 HG23 VAL 18 91.226 3.169 15.433 52 H LYS 19 HN LYS 19 94.323 3.391 12.855 53 HA LYS 19 HA LYS 19 95.576 5.621 11.699 54 1HB LYS 19 HB2 LYS 19 96.449 3.419 12.981 55 2HB LYS 19 HB1 LYS 19 96.821 2.965 11.324 56 1HG LYS 19 HG2 LYS 19 97.704 5.576 12.521 57 2HG LYS 19 HG1 LYS 19 98.663 4.099 12.630 58 1HD LYS 19 HD2 LYS 19 98.985 4.002 10.313 59 2HD LYS 19 HD1 LYS 19 97.663 5.126 9.994 60 1HE LYS 19 HE2 LYS 19 99.281 6.660 11.533 61 2HE LYS 19 HE1 LYS 19 100.470 5.651 10.709 62 1HZ LYS 19 HZ1 LYS 19 98.427 7.400 9.453 63 2HZ LYS 19 HZ2 LYS 19 99.377 6.299 8.589 64 3HZ LYS 19 HZ3 LYS 19 100.108 7.589 9.404 65 H GLU 20 HN GLU 20 95.015 2.400 10.316 66 HA GLU 20 HA GLU 20 95.764 3.027 7.698 67 1HB GLU 20 HB2 GLU 20 94.046 0.894 8.914 68 2HB GLU 20 HB1 GLU 20 94.140 1.045 7.165 69 1HG GLU 20 HG2 GLU 20 96.209 0.195 7.074 70 2HG GLU 20 HG1 GLU 20 96.733 1.045 8.527 71 H SER 21 HN SER 21 92.977 3.892 9.481 72 HA SER 21 HA SER 21 91.224 4.255 7.242 73 1HB SER 21 HB2 SER 21 91.012 4.188 10.038 74 2HB SER 21 HB1 SER 21 90.520 5.809 9.567 75 HG SER 21 HG SER 21 89.359 3.340 8.950 76 H LEU 22 HN LEU 22 92.804 6.524 9.499 77 HA LEU 22 HA LEU 22 92.197 8.825 7.980 78 1HB LEU 22 HB2 LEU 22 94.279 8.287 10.092 79 2HB LEU 22 HB1 LEU 22 94.069 9.864 9.354 80 HG LEU 22 HG LEU 22 91.576 8.762 10.409 81 1HD1 LEU 22 HD11 LEU 22 92.056 8.832 12.704 82 2HD1 LEU 22 HD12 LEU 22 93.644 9.549 12.437 83 3HD1 LEU 22 HD13 LEU 22 93.351 7.866 11.997 84 1HD2 LEU 22 HD21 LEU 22 91.138 10.941 10.880 85 2HD2 LEU 22 HD22 LEU 22 92.387 11.180 9.658 86 3HD2 LEU 22 HD23 LEU 22 92.798 11.285 11.370 87 H SER 23 HN SER 23 94.853 6.560 7.957 88 HA SER 23 HA SER 23 96.554 8.100 6.267 89 1HB SER 23 HB2 SER 23 97.440 6.324 7.727 90 2HB SER 23 HB1 SER 23 96.547 5.119 6.799 91 H SER 24 HN SER 24 94.190 5.541 5.755 92 HA SER 24 HA SER 24 94.645 5.108 3.025 93 1HB SER 24 HB2 SER 24 92.331 4.665 4.856 94 2HB SER 24 HB1 SER 24 92.085 4.510 3.118 95 HG SER 24 HG SER 24 93.251 2.741 3.096 96 H TYR 25 HN TYR 25 92.779 7.557 4.721 97 HA TYR 25 HA TYR 25 91.231 8.571 2.677 98 1HB TYR 25 HB2 TYR 25 91.817 9.222 5.275 99 2HB TYR 25 HB1 TYR 25 92.479 10.590 4.395 100 HD1 TYR 25 HD1 TYR 25 91.068 12.331 3.711 101 HD2 TYR 25 HD2 TYR 25 89.375 8.572 4.764 102 HE1 TYR 25 HE1 TYR 25 88.816 13.301 3.533 103 HE2 TYR 25 HE2 TYR 25 87.119 9.533 4.589 104 HH TYR 25 HH TYR 25 86.112 11.920 4.791 105 H TRP 26 HN TRP 26 94.614 9.094 3.447 106 HA TRP 26 HA TRP 26 94.942 10.794 1.068 107 1HB TRP 26 HB2 TRP 26 96.730 10.289 3.455 108 2HB TRP 26 HB1 TRP 26 97.237 11.208 2.042 109 HD1 TRP 26 HD1 TRP 26 95.002 13.179 1.502 110 HE1 TRP 26 HE1 TRP 26 94.261 14.947 3.220 111 HE3 TRP 26 HE3 TRP 26 96.786 10.977 5.754 112 HZ2 TRP 26 HZ2 TRP 26 94.417 15.356 6.008 113 HZ3 TRP 26 HZ3 TRP 26 96.453 12.121 7.905 114 HH2 TRP 26 HH2 TRP 26 95.292 14.265 8.029 115 H GLU 27 HN GLU 27 95.447 7.597 2.192 116 HA GLU 27 HA GLU 27 97.727 6.988 0.562 117 1HB GLU 27 HB2 GLU 27 96.393 5.713 2.628 118 2HB GLU 27 HB1 GLU 27 96.029 4.709 1.233 119 1HG GLU 27 HG2 GLU 27 98.338 4.336 0.805 120 2HG GLU 27 HG1 GLU 27 98.812 5.547 1.994 121 H SER 28 HN SER 28 94.236 6.783 0.176 122 HA SER 28 HA SER 28 94.236 5.250 -2.197 123 1HB SER 28 HB2 SER 28 92.150 5.313 -1.220 124 2HB SER 28 HB1 SER 28 92.257 7.028 -0.829 125 HG SER 28 HG SER 28 91.369 5.783 -3.125 126 H ALA 29 HN ALA 29 94.338 8.727 -1.568 127 HA ALA 29 HA ALA 29 94.143 9.583 -4.247 128 1HB ALA 29 HB1 ALA 29 93.891 11.373 -2.852 129 2HB ALA 29 HB2 ALA 29 95.611 11.550 -3.203 130 3HB ALA 29 HB3 ALA 29 95.091 10.785 -1.702 131 H LYS 30 HN LYS 30 96.772 8.492 -2.230 132 HA LYS 30 HA LYS 30 98.841 9.059 -4.147 133 1HB LYS 30 HB2 LYS 30 98.751 7.522 -1.556 134 2HB LYS 30 HB1 LYS 30 100.188 7.553 -2.567 135 1HG LYS 30 HG2 LYS 30 98.910 10.114 -1.719 136 2HG LYS 30 HG1 LYS 30 99.949 9.227 -0.602 137 1HD LYS 30 HD2 LYS 30 101.688 10.233 -1.570 138 2HD LYS 30 HD1 LYS 30 101.360 9.258 -3.004 139 1HE LYS 30 HE2 LYS 30 99.740 11.062 -3.708 140 2HE LYS 30 HE1 LYS 30 100.396 12.046 -2.401 141 1HZ LYS 30 HZ1 LYS 30 101.653 11.214 -4.912 142 2HZ LYS 30 HZ2 LYS 30 102.644 11.420 -3.557 143 3HZ LYS 30 HZ3 LYS 30 101.707 12.710 -4.123 144 H THR 31 HN THR 31 96.686 6.430 -3.411 145 HA THR 31 HA THR 31 98.100 4.321 -4.618 146 HB THR 31 HB THR 31 95.142 4.769 -4.226 147 HG1 THR 31 HG1 THR 31 95.650 3.097 -2.559 148 1HG2 THR 31 HG21 THR 31 96.192 2.031 -4.469 149 2HG2 THR 31 HG22 THR 31 96.037 2.956 -5.961 150 3HG2 THR 31 HG23 THR 31 94.628 2.700 -4.932 151 H ALA 32 HN ALA 32 95.708 6.612 -5.908 152 HA ALA 32 HA ALA 32 95.447 5.525 -8.461 153 1HB ALA 32 HB1 ALA 32 95.356 8.458 -7.756 154 2HB ALA 32 HB2 ALA 32 94.018 7.330 -7.544 155 3HB ALA 32 HB3 ALA 32 94.624 7.683 -9.161 156 H ALA 33 HN ALA 33 98.044 7.208 -6.991 157 HA ALA 33 HA ALA 33 99.348 7.905 -9.488 158 1HB ALA 33 HB1 ALA 33 101.283 8.438 -7.871 159 2HB ALA 33 HB2 ALA 33 100.094 8.184 -6.593 160 3HB ALA 33 HB3 ALA 33 99.836 9.445 -7.799 161 H GLN 34 HN GLN 34 99.478 5.451 -7.003 162 HA GLN 34 HA GLN 34 101.863 4.168 -7.832 163 1HB GLN 34 HB2 GLN 34 99.560 3.535 -6.061 164 2HB GLN 34 HB1 GLN 34 100.514 2.176 -6.631 165 1HG GLN 34 HG2 GLN 34 101.829 2.570 -4.887 166 2HG GLN 34 HG1 GLN 34 102.433 3.949 -5.803 167 1HE2 GLN 34 HE21 GLN 34 99.970 2.970 -3.475 168 2HE2 GLN 34 HE22 GLN 34 99.855 4.500 -2.681 169 H ASN 35 HN ASN 35 98.433 3.502 -8.440 170 HA ASN 35 HA ASN 35 98.620 1.259 -10.026 171 1HB ASN 35 HB2 ASN 35 96.628 2.853 -9.121 172 2HB ASN 35 HB1 ASN 35 96.612 3.274 -10.831 173 1HD2 ASN 35 HD21 ASN 35 97.197 0.950 -12.056 174 2HD2 ASN 35 HD22 ASN 35 95.977 -0.231 -11.736 175 H LEU 36 HN LEU 36 98.628 4.676 -11.044 176 HA LEU 36 HA LEU 36 98.807 4.253 -13.780 177 1HB LEU 36 HB2 LEU 36 98.686 6.375 -12.042 178 2HB LEU 36 HB1 LEU 36 100.260 6.575 -12.784 179 HG LEU 36 HG LEU 36 98.465 6.033 -14.895 180 1HD1 LEU 36 HD11 LEU 36 96.569 7.197 -14.580 181 2HD1 LEU 36 HD12 LEU 36 97.364 8.438 -13.613 182 3HD1 LEU 36 HD13 LEU 36 96.902 6.906 -12.873 183 1HD2 LEU 36 HD21 LEU 36 98.983 8.409 -15.493 184 2HD2 LEU 36 HD22 LEU 36 100.394 7.401 -15.173 185 3HD2 LEU 36 HD23 LEU 36 99.833 8.544 -13.954 186 H TYR 37 HN TYR 37 101.310 4.294 -11.297 187 HA TYR 37 HA TYR 37 103.496 4.357 -13.120 188 1HB TYR 37 HB2 TYR 37 103.396 4.875 -10.538 189 2HB TYR 37 HB1 TYR 37 103.786 3.164 -10.400 190 HD1 TYR 37 HD1 TYR 37 105.131 6.396 -10.710 191 HD2 TYR 37 HD2 TYR 37 105.811 2.365 -11.883 192 HE1 TYR 37 HE1 TYR 37 107.501 6.917 -11.098 193 HE2 TYR 37 HE2 TYR 37 108.186 2.873 -12.272 194 HH TYR 37 HH TYR 37 109.563 4.931 -12.813 195 H GLU 38 HN GLU 38 102.804 1.755 -10.873 196 HA GLU 38 HA GLU 38 102.289 -0.320 -12.605 197 1HB GLU 38 HB2 GLU 38 105.084 0.503 -12.610 198 2HB GLU 38 HB1 GLU 38 104.895 -1.191 -12.181 199 1HG GLU 38 HG2 GLU 38 103.258 -0.465 -14.455 200 2HG GLU 38 HG1 GLU 38 104.965 -0.122 -14.730 201 H LYS 39 HN LYS 39 101.612 0.501 -9.988 202 HA LYS 39 HA LYS 39 102.889 -1.459 -8.227 203 1HB LYS 39 HB2 LYS 39 101.071 0.888 -7.763 204 2HB LYS 39 HB1 LYS 39 101.382 -0.294 -6.498 205 1HG LYS 39 HG2 LYS 39 102.840 1.584 -6.203 206 2HG LYS 39 HG1 LYS 39 103.798 0.190 -6.694 207 1HD LYS 39 HD2 LYS 39 103.639 1.084 -9.056 208 2HD LYS 39 HD1 LYS 39 102.976 2.561 -8.356 209 1HE LYS 39 HE2 LYS 39 105.141 3.190 -8.304 210 2HE LYS 39 HE1 LYS 39 105.169 2.236 -6.820 211 1HZ LYS 39 HZ1 LYS 39 106.760 1.038 -7.768 212 2HZ LYS 39 HZ2 LYS 39 106.541 1.786 -9.269 213 3HZ LYS 39 HZ3 LYS 39 105.609 0.437 -8.854 214 H THR 40 HN THR 40 99.725 -0.564 -9.509 215 HA THR 40 HA THR 40 98.607 -3.071 -8.465 216 HB THR 40 HB THR 40 97.371 -0.474 -9.352 217 HG1 THR 40 HG1 THR 40 97.342 -1.994 -6.970 218 1HG2 THR 40 HG21 THR 40 95.164 -1.400 -9.010 219 2HG2 THR 40 HG22 THR 40 95.859 -2.997 -8.735 220 3HG2 THR 40 HG23 THR 40 95.992 -2.241 -10.322 221 H TYR 41 HN TYR 41 99.447 -1.339 -11.351 222 HA TYR 41 HA TYR 41 97.942 -2.529 -13.313 223 1HB TYR 41 HB2 TYR 41 100.133 -0.872 -13.231 224 2HB TYR 41 HB1 TYR 41 100.791 -2.315 -13.989 225 HD1 TYR 41 HD1 TYR 41 100.857 -2.195 -16.283 226 HD2 TYR 41 HD2 TYR 41 97.602 -0.367 -14.245 227 HE1 TYR 41 HE1 TYR 41 99.913 -1.489 -18.438 228 HE2 TYR 41 HE2 TYR 41 96.646 0.343 -16.395 229 HH TYR 41 HH TYR 41 98.399 0.150 -19.338 230 H LEU 42 HN LEU 42 98.516 -4.293 -14.824 231 HA LEU 42 HA LEU 42 98.828 -6.526 -15.159 232 1HB LEU 42 HB2 LEU 42 101.357 -5.398 -14.222 233 2HB LEU 42 HB1 LEU 42 101.238 -7.127 -13.960 234 HG LEU 42 HG LEU 42 100.633 -7.339 -16.412 235 1HD1 LEU 42 HD11 LEU 42 100.676 -5.584 -17.830 236 2HD1 LEU 42 HD12 LEU 42 101.942 -4.747 -16.932 237 3HD1 LEU 42 HD13 LEU 42 100.273 -4.685 -16.368 238 1HD2 LEU 42 HD21 LEU 42 103.147 -6.590 -17.012 239 2HD2 LEU 42 HD22 LEU 42 102.753 -8.075 -16.146 240 3HD2 LEU 42 HD23 LEU 42 103.252 -6.640 -15.252 241 HA PRO 43 HA PRO 43 96.820 -7.563 -11.117 242 1HB PRO 43 HB2 PRO 43 96.238 -9.819 -13.005 243 2HB PRO 43 HB1 PRO 43 95.189 -9.075 -11.790 244 1HG PRO 43 HG2 PRO 43 94.942 -8.433 -14.362 245 2HG PRO 43 HG1 PRO 43 94.780 -7.201 -13.095 246 1HD PRO 43 HD2 PRO 43 96.984 -7.647 -15.026 247 2HD PRO 43 HD1 PRO 43 96.472 -6.152 -14.217 248 H ALA 44 HN ALA 44 98.853 -7.900 -10.082 249 HA ALA 44 HA ALA 44 100.558 -9.106 -9.162 250 1HB ALA 44 HB1 ALA 44 98.273 -10.283 -8.515 251 2HB ALA 44 HB2 ALA 44 99.835 -10.931 -8.017 252 3HB ALA 44 HB3 ALA 44 99.000 -11.616 -9.412 253 H VAL 45 HN VAL 45 100.457 -8.999 -12.154 254 HA VAL 45 HA VAL 45 101.441 -11.537 -13.072 255 HB VAL 45 HB VAL 45 101.762 -8.902 -14.501 256 1HG1 VAL 45 HG11 VAL 45 102.935 -10.368 -15.777 257 2HG1 VAL 45 HG12 VAL 45 101.326 -10.683 -16.427 258 3HG1 VAL 45 HG13 VAL 45 102.015 -11.765 -15.217 259 1HG2 VAL 45 HG21 VAL 45 99.435 -10.712 -14.989 260 2HG2 VAL 45 HG22 VAL 45 99.615 -8.995 -15.346 261 3HG2 VAL 45 HG23 VAL 45 99.363 -9.529 -13.685 262 H ASP 46 HN ASP 46 102.979 -8.321 -12.865 263 HA ASP 46 HA ASP 46 105.589 -9.612 -12.859 264 1HB ASP 46 HB2 ASP 46 104.651 -7.254 -13.978 265 2HB ASP 46 HB1 ASP 46 105.599 -6.706 -12.600 266 H GLU 47 HN GLU 47 103.456 -9.155 -10.535 267 HA GLU 47 HA GLU 47 105.373 -8.131 -8.568 268 1HB GLU 47 HB2 GLU 47 102.616 -7.722 -8.915 269 2HB GLU 47 HB1 GLU 47 102.786 -8.713 -7.476 270 1HG GLU 47 HG2 GLU 47 104.705 -6.596 -7.425 271 2HG GLU 47 HG1 GLU 47 103.094 -5.939 -7.701 272 H LYS 48 HN LYS 48 102.907 -10.665 -8.889 273 HA LYS 48 HA LYS 48 103.808 -12.221 -6.717 274 1HB LYS 48 HB2 LYS 48 101.659 -12.307 -8.450 275 2HB LYS 48 HB1 LYS 48 102.572 -13.742 -8.895 276 1HG LYS 48 HG2 LYS 48 102.503 -14.518 -6.589 277 2HG LYS 48 HG1 LYS 48 101.619 -13.065 -6.120 278 1HD LYS 48 HD2 LYS 48 99.834 -14.430 -6.425 279 2HD LYS 48 HD1 LYS 48 100.032 -13.914 -8.101 280 1HE LYS 48 HE2 LYS 48 101.726 -16.007 -8.046 281 2HE LYS 48 HE1 LYS 48 100.551 -16.533 -6.842 282 1HZ LYS 48 HZ1 LYS 48 99.657 -15.527 -9.466 283 2HZ LYS 48 HZ2 LYS 48 98.851 -16.554 -8.388 284 3HZ LYS 48 HZ3 LYS 48 100.160 -17.133 -9.289 285 H LEU 49 HN LEU 49 104.947 -11.786 -9.913 286 HA LEU 49 HA LEU 49 106.645 -14.170 -9.740 287 1HB LEU 49 HB2 LEU 49 105.692 -12.462 -12.004 288 2HB LEU 49 HB1 LEU 49 107.142 -13.430 -12.187 289 HG LEU 49 HG LEU 49 104.877 -14.947 -11.125 290 1HD1 LEU 49 HD11 LEU 49 104.527 -13.278 -13.518 291 2HD1 LEU 49 HD12 LEU 49 103.327 -14.015 -12.456 292 3HD1 LEU 49 HD13 LEU 49 104.102 -14.978 -13.714 293 1HD2 LEU 49 HD21 LEU 49 105.617 -16.301 -13.248 294 2HD2 LEU 49 HD22 LEU 49 106.619 -16.274 -11.798 295 3HD2 LEU 49 HD23 LEU 49 107.023 -15.241 -13.169 296 H ARG 50 HN ARG 50 106.732 -10.773 -9.291 297 HA ARG 50 HA ARG 50 109.537 -10.887 -8.774 298 1HB ARG 50 HB2 ARG 50 108.839 -10.357 -11.435 299 2HB ARG 50 HB1 ARG 50 109.303 -8.803 -10.759 300 1HG ARG 50 HG2 ARG 50 111.224 -10.675 -9.891 301 2HG ARG 50 HG1 ARG 50 110.956 -10.967 -11.610 302 1HD ARG 50 HD2 ARG 50 111.083 -8.166 -11.250 303 2HD ARG 50 HD1 ARG 50 112.424 -8.866 -10.345 304 HE ARG 50 HE ARG 50 112.151 -9.902 -13.014 305 1HH1 ARG 50 HH11 ARG 50 113.539 -7.375 -11.048 306 2HH1 ARG 50 HH12 ARG 50 114.802 -7.017 -12.178 307 1HH2 ARG 50 HH21 ARG 50 113.812 -9.433 -14.501 308 2HH2 ARG 50 HH22 ARG 50 114.957 -8.185 -14.137 309 H ASP 51 HN ASP 51 108.530 -10.163 -6.790 310 HA ASP 51 HA ASP 51 109.024 -7.516 -6.224 311 1HB ASP 51 HB2 ASP 51 106.317 -7.967 -7.264 312 2HB ASP 51 HB1 ASP 51 106.362 -7.101 -5.736 313 H LEU 52 HN LEU 52 106.742 -10.124 -5.432 314 HA LEU 52 HA LEU 52 106.342 -9.646 -2.759 315 1HB LEU 52 HB2 LEU 52 105.927 -12.006 -2.479 316 2HB LEU 52 HB1 LEU 52 105.275 -11.470 -4.016 317 HG LEU 52 HG LEU 52 107.720 -12.330 -4.804 318 1HD1 LEU 52 HD11 LEU 52 108.462 -14.190 -3.648 319 2HD1 LEU 52 HD12 LEU 52 106.923 -14.414 -2.816 320 3HD1 LEU 52 HD13 LEU 52 107.996 -13.096 -2.345 321 1HD2 LEU 52 HD21 LEU 52 105.653 -12.932 -5.874 322 2HD2 LEU 52 HD22 LEU 52 105.187 -13.935 -4.501 323 3HD2 LEU 52 HD23 LEU 52 106.555 -14.403 -5.510 324 H TYR 53 HN TYR 53 109.203 -10.806 -4.335 325 HA TYR 53 HA TYR 53 110.563 -11.290 -1.762 326 1HB TYR 53 HB2 TYR 53 110.574 -12.814 -3.971 327 2HB TYR 53 HB1 TYR 53 111.928 -11.757 -4.361 328 HD1 TYR 53 HD1 TYR 53 114.041 -12.187 -3.472 329 HD2 TYR 53 HD2 TYR 53 110.634 -14.001 -1.685 330 HE1 TYR 53 HE1 TYR 53 115.518 -13.516 -2.024 331 HE2 TYR 53 HE2 TYR 53 112.101 -15.337 -0.233 332 HH TYR 53 HH TYR 53 115.533 -14.768 -0.054 333 H SER 54 HN SER 54 111.135 -9.680 -4.885 334 HA SER 54 HA SER 54 113.324 -8.142 -3.847 335 1HB SER 54 HB2 SER 54 112.830 -8.998 -6.299 336 2HB SER 54 HB1 SER 54 112.016 -7.439 -6.436 337 HG SER 54 HG SER 54 114.029 -6.506 -5.660 338 H LYS 55 HN LYS 55 110.458 -7.750 -2.820 339 HA LYS 55 HA LYS 55 110.546 -4.814 -2.928 340 1HB LYS 55 HB2 LYS 55 108.692 -5.698 -4.366 341 2HB LYS 55 HB1 LYS 55 107.987 -6.420 -2.926 342 1HG LYS 55 HG2 LYS 55 108.536 -3.639 -2.474 343 2HG LYS 55 HG1 LYS 55 107.557 -3.851 -3.926 344 1HD LYS 55 HD2 LYS 55 105.998 -5.260 -2.617 345 2HD LYS 55 HD1 LYS 55 106.951 -4.925 -1.171 346 1HE LYS 55 HE2 LYS 55 106.388 -2.434 -2.350 347 2HE LYS 55 HE1 LYS 55 104.886 -3.355 -2.394 348 1HZ LYS 55 HZ1 LYS 55 104.749 -3.422 -0.140 349 2HZ LYS 55 HZ2 LYS 55 105.573 -1.953 -0.300 350 3HZ LYS 55 HZ3 LYS 55 106.424 -3.361 0.095 351 H SER 56 HN SER 56 109.796 -7.738 -1.161 352 HA SER 56 HA SER 56 109.298 -6.183 1.274 353 1HB SER 56 HB2 SER 56 108.416 -8.223 2.228 354 2HB SER 56 HB1 SER 56 107.684 -7.978 0.643 355 HG SER 56 HG SER 56 109.432 -9.943 1.509 356 H THR 57 HN THR 57 111.703 -8.100 -0.269 357 HA THR 57 HA THR 57 113.193 -8.297 2.260 358 HB THR 57 HB THR 57 114.336 -10.177 1.439 359 HG1 THR 57 HG1 THR 57 114.862 -9.522 -0.612 360 1HG2 THR 57 HG21 THR 57 112.523 -11.638 0.363 361 2HG2 THR 57 HG22 THR 57 111.464 -10.253 0.629 362 3HG2 THR 57 HG23 THR 57 112.260 -11.030 1.996 363 H ALA 58 HN ALA 58 113.094 -6.747 -0.773 364 HA ALA 58 HA ALA 58 115.897 -5.899 -0.471 365 1HB ALA 58 HB1 ALA 58 114.873 -7.039 -2.666 366 2HB ALA 58 HB2 ALA 58 116.157 -5.832 -2.726 367 3HB ALA 58 HB3 ALA 58 114.484 -5.354 -3.014 368 H ALA 59 HN ALA 59 112.610 -4.810 -1.112 369 HA ALA 59 HA ALA 59 113.422 -2.025 -0.914 370 1HB ALA 59 HB1 ALA 59 111.445 -1.488 -1.875 371 2HB ALA 59 HB2 ALA 59 110.551 -2.723 -0.991 372 3HB ALA 59 HB3 ALA 59 111.511 -3.169 -2.401 373 H MET 60 HN MET 60 113.103 -4.324 1.314 374 HA MET 60 HA MET 60 112.301 -2.403 3.347 375 1HB MET 60 HB2 MET 60 110.959 -5.099 3.108 376 2HB MET 60 HB1 MET 60 110.700 -3.928 4.395 377 1HG MET 60 HG2 MET 60 109.935 -2.323 2.603 378 2HG MET 60 HG1 MET 60 109.942 -3.697 1.500 379 1HE MET 60 HE1 MET 60 106.975 -2.521 4.651 380 2HE MET 60 HE2 MET 60 107.094 -1.743 3.074 381 3HE MET 60 HE3 MET 60 108.484 -1.750 4.161 382 H SER 61 HN SER 61 113.809 -5.469 2.508 383 HA SER 61 HA SER 61 114.938 -5.600 5.222 384 1HB SER 61 HB2 SER 61 113.727 -7.599 3.921 385 2HB SER 61 HB1 SER 61 115.364 -7.839 3.313 386 HG SER 61 HG SER 61 114.917 -7.490 6.068 387 H THR 62 HN THR 62 115.804 -3.921 2.804 388 HA THR 62 HA THR 62 118.640 -4.630 3.032 389 HB THR 62 HB THR 62 117.201 -3.999 0.454 390 HG1 THR 62 HG1 THR 62 118.644 -6.269 1.344 391 1HG2 THR 62 HG21 THR 62 119.123 -3.042 -0.174 392 2HG2 THR 62 HG22 THR 62 119.682 -4.708 -0.318 393 3HG2 THR 62 HG23 THR 62 120.043 -3.780 1.138 394 H TYR 63 HN TYR 63 116.199 -2.151 2.393 395 HA TYR 63 HA TYR 63 118.010 0.006 2.109 396 1HB TYR 63 HB2 TYR 63 115.264 -0.414 1.927 397 2HB TYR 63 HB1 TYR 63 115.456 0.733 3.246 398 HD1 TYR 63 HD1 TYR 63 117.242 2.676 2.668 399 HD2 TYR 63 HD2 TYR 63 114.967 0.479 -0.179 400 HE1 TYR 63 HE1 TYR 63 117.526 4.499 1.042 401 HE2 TYR 63 HE2 TYR 63 115.246 2.296 -1.812 402 HH TYR 63 HH TYR 63 115.729 4.683 -1.849 403 H THR 64 HN THR 64 116.477 -1.581 4.818 404 HA THR 64 HA THR 64 116.888 0.313 6.820 405 HB THR 64 HB THR 64 116.805 -1.563 8.400 406 HG1 THR 64 HG1 THR 64 117.145 -3.134 6.069 407 1HG2 THR 64 HG21 THR 64 114.922 -2.190 6.146 408 2HG2 THR 64 HG22 THR 64 114.698 -0.839 7.257 409 3HG2 THR 64 HG23 THR 64 114.696 -2.492 7.869 410 H GLY 65 HN GLY 65 119.082 -1.654 5.092 411 1HA GLY 65 HA2 GLY 65 121.253 -1.224 6.997 412 2HA GLY 65 HA1 GLY 65 121.321 -2.224 5.551 413 H ILE 66 HN ILE 66 120.014 0.038 3.998 414 HA ILE 66 HA ILE 66 122.510 1.397 3.376 415 HB ILE 66 HB ILE 66 119.860 1.742 1.983 416 1HG1 ILE 66 HG12 ILE 66 120.492 -0.639 2.011 417 2HG1 ILE 66 HG11 ILE 66 120.597 0.040 0.390 418 1HG2 ILE 66 HG21 ILE 66 121.819 3.370 1.647 419 2HG2 ILE 66 HG22 ILE 66 121.052 2.687 0.216 420 3HG2 ILE 66 HG23 ILE 66 122.590 2.040 0.785 421 1HD1 ILE 66 HD11 ILE 66 122.988 -0.193 2.184 422 2HD1 ILE 66 HD12 ILE 66 122.941 0.061 0.440 423 3HD1 ILE 66 HD13 ILE 66 122.469 -1.498 1.117 424 H PHE 67 HN PHE 67 119.735 1.947 5.221 425 HA PHE 67 HA PHE 67 119.327 4.688 4.958 426 1HB PHE 67 HB2 PHE 67 118.250 2.644 6.418 427 2HB PHE 67 HB1 PHE 67 119.032 3.606 7.666 428 HD1 PHE 67 HD1 PHE 67 118.592 6.231 7.395 429 HD2 PHE 67 HD2 PHE 67 116.071 3.136 5.922 430 HE1 PHE 67 HE1 PHE 67 116.694 7.795 7.373 431 HE2 PHE 67 HE2 PHE 67 114.167 4.694 5.897 432 HZ PHE 67 HZ PHE 67 114.477 7.027 6.622 433 H THR 68 HN THR 68 121.375 2.904 7.228 434 HA THR 68 HA THR 68 122.453 5.163 8.531 435 HB THR 68 HB THR 68 124.277 2.893 8.410 436 HG1 THR 68 HG1 THR 68 121.675 2.358 9.387 437 1HG2 THR 68 HG21 THR 68 123.205 2.944 10.926 438 2HG2 THR 68 HG22 THR 68 123.075 4.625 10.411 439 3HG2 THR 68 HG23 THR 68 124.643 3.817 10.396 440 H ASP 69 HN ASP 69 123.164 3.646 5.506 441 HA ASP 69 HA ASP 69 125.810 4.381 5.097 442 1HB ASP 69 HB2 ASP 69 124.120 2.992 3.629 443 2HB ASP 69 HB1 ASP 69 123.866 4.541 2.831 444 H GLN 70 HN GLN 70 122.973 6.333 5.174 445 HA GLN 70 HA GLN 70 124.482 8.622 4.104 446 1HB GLN 70 HB2 GLN 70 121.795 7.706 3.670 447 2HB GLN 70 HB1 GLN 70 121.747 9.305 4.401 448 1HG GLN 70 HG2 GLN 70 122.790 10.304 2.615 449 2HG GLN 70 HG1 GLN 70 123.567 8.810 2.095 450 1HE2 GLN 70 HE21 GLN 70 122.177 7.158 1.152 451 2HE2 GLN 70 HE22 GLN 70 120.791 7.648 0.243 452 H VAL 71 HN VAL 71 124.474 7.419 6.875 453 HA VAL 71 HA VAL 71 123.618 9.817 8.372 454 HB VAL 71 HB VAL 71 123.898 6.965 9.325 455 1HG1 VAL 71 HG11 VAL 71 124.001 7.752 11.401 456 2HG1 VAL 71 HG12 VAL 71 122.454 8.565 11.167 457 3HG1 VAL 71 HG13 VAL 71 123.958 9.407 10.792 458 1HG2 VAL 71 HG21 VAL 71 121.928 7.497 7.857 459 2HG2 VAL 71 HG22 VAL 71 121.382 8.603 9.118 460 3HG2 VAL 71 HG23 VAL 71 121.531 6.879 9.460 461 H LEU 72 HN LEU 72 125.987 7.164 8.490 462 HA LEU 72 HA LEU 72 127.787 8.693 10.125 463 1HB LEU 72 HB2 LEU 72 128.912 6.381 8.717 464 2HB LEU 72 HB1 LEU 72 128.923 6.774 10.423 465 HG LEU 72 HG LEU 72 126.646 5.502 8.912 466 1HD1 LEU 72 HD11 LEU 72 127.372 3.801 10.921 467 2HD1 LEU 72 HD12 LEU 72 128.930 4.446 10.402 468 3HD1 LEU 72 HD13 LEU 72 127.869 3.656 9.235 469 1HD2 LEU 72 HD21 LEU 72 125.444 6.519 10.528 470 2HD2 LEU 72 HD22 LEU 72 126.840 6.739 11.582 471 3HD2 LEU 72 HD23 LEU 72 126.030 5.174 11.508 472 H SER 73 HN SER 73 127.415 7.951 6.733 473 HA SER 73 HA SER 73 129.943 9.125 5.967 474 1HB SER 73 HB2 SER 73 129.524 7.793 4.210 475 2HB SER 73 HB1 SER 73 127.837 7.599 4.683 476 HG SER 73 HG SER 73 128.451 8.717 2.578 477 H VAL 74 HN VAL 74 126.908 10.222 6.824 478 HA VAL 74 HA VAL 74 127.232 12.752 5.360 479 HB VAL 74 HB VAL 74 124.800 11.613 6.748 480 1HG1 VAL 74 HG11 VAL 74 123.636 13.518 6.336 481 2HG1 VAL 74 HG12 VAL 74 124.557 13.900 4.882 482 3HG1 VAL 74 HG13 VAL 74 125.235 14.246 6.469 483 1HG2 VAL 74 HG21 VAL 74 123.890 11.365 4.492 484 2HG2 VAL 74 HG22 VAL 74 125.374 10.433 4.690 485 3HG2 VAL 74 HG23 VAL 74 125.403 11.964 3.813 486 H LEU 75 HN LEU 75 127.392 11.261 8.473 487 HA LEU 75 HA LEU 75 127.250 13.898 9.782 488 1HB LEU 75 HB2 LEU 75 126.881 12.835 11.813 489 2HB LEU 75 HB1 LEU 75 125.985 11.862 10.666 490 HG LEU 75 HG LEU 75 128.245 10.458 10.662 491 1HD1 LEU 75 HD11 LEU 75 128.156 11.398 13.512 492 2HD1 LEU 75 HD12 LEU 75 129.210 12.161 12.323 493 3HD1 LEU 75 HD13 LEU 75 129.401 10.450 12.700 494 1HD2 LEU 75 HD21 LEU 75 126.531 10.017 13.046 495 2HD2 LEU 75 HD22 LEU 75 127.075 8.876 11.819 496 3HD2 LEU 75 HD23 LEU 75 125.757 9.992 11.462 497 H LYS 76 HN LYS 76 129.425 11.113 9.405 498 HA LYS 76 HA LYS 76 131.644 12.865 10.218 499 1HB LYS 76 HB2 LYS 76 130.773 10.267 11.171 500 2HB LYS 76 HB1 LYS 76 132.461 10.261 10.679 501 1HG LYS 76 HG2 LYS 76 132.191 12.587 12.172 502 2HG LYS 76 HG1 LYS 76 131.227 11.392 13.039 503 1HD LYS 76 HD2 LYS 76 133.131 10.665 13.943 504 2HD LYS 76 HD1 LYS 76 133.552 10.033 12.350 505 1HE LYS 76 HE2 LYS 76 134.092 12.889 12.654 506 2HE LYS 76 HE1 LYS 76 134.999 11.880 13.780 507 1HZ LYS 76 HZ1 LYS 76 134.911 11.120 10.945 508 2HZ LYS 76 HZ2 LYS 76 136.124 10.849 12.093 509 3HZ LYS 76 HZ3 LYS 76 135.928 12.387 11.418 510 H GLY 77 HN GLY 77 130.252 11.214 7.711 511 1HA GLY 77 HA2 GLY 77 130.989 10.702 5.597 512 2HA GLY 77 HA1 GLY 77 132.495 11.516 6.001 513 H GLU 78 HN GLU 78 130.988 8.708 7.562 514 HA GLU 78 HA GLU 78 133.291 7.099 6.640 515 1HB GLU 78 HB2 GLU 78 132.255 7.443 9.429 516 2HB GLU 78 HB1 GLU 78 133.088 5.966 8.966 517 1HG GLU 78 HG2 GLU 78 134.351 8.608 8.401 518 2HG GLU 78 HG1 GLU 78 134.399 7.942 10.034 519 H GLU 79 HN GLU 79 129.938 7.302 6.880 520 HA GLU 79 HA GLU 79 128.225 5.762 6.844 521 1HB GLU 79 HB2 GLU 79 128.257 4.387 4.850 522 2HB GLU 79 HB1 GLU 79 128.913 5.972 4.493 523 1HG GLU 79 HG2 GLU 79 131.198 4.749 4.981 524 2HG GLU 79 HG1 GLU 79 130.250 3.331 4.544 Start of MODEL 15 1 H THR 13 H THR 13 112.956 10.167 6.640 2 HA THR 13 HA THR 13 112.685 11.711 8.261 3 HB THR 13 HB THR 13 111.278 13.450 7.214 4 HG1 THR 13 HG1 THR 13 110.489 11.521 5.311 5 1HG2 THR 13 HG21 THR 13 112.764 13.789 5.612 6 2HG2 THR 13 HG22 THR 13 112.271 12.335 4.744 7 3HG2 THR 13 HG23 THR 13 113.458 12.225 6.043 8 H PHE 14 HN PHE 14 111.327 12.942 9.724 9 HA PHE 14 HA PHE 14 109.552 11.284 11.190 10 1HB PHE 14 HB2 PHE 14 111.057 13.452 11.801 11 2HB PHE 14 HB1 PHE 14 109.465 14.198 11.687 12 HD1 PHE 14 HD1 PHE 14 108.090 14.193 13.530 13 HD2 PHE 14 HD2 PHE 14 111.178 11.279 13.239 14 HE1 PHE 14 HE1 PHE 14 107.546 13.397 15.793 15 HE2 PHE 14 HE2 PHE 14 110.640 10.478 15.503 16 HZ PHE 14 HZ PHE 14 108.822 11.538 16.782 17 H LEU 15 HN LEU 15 109.079 13.836 8.820 18 HA LEU 15 HA LEU 15 106.371 14.368 9.306 19 1HB LEU 15 HB2 LEU 15 106.340 15.100 6.885 20 2HB LEU 15 HB1 LEU 15 107.504 15.891 7.929 21 HG LEU 15 HG LEU 15 108.637 13.565 6.588 22 1HD1 LEU 15 HD11 LEU 15 108.496 15.605 4.576 23 2HD1 LEU 15 HD12 LEU 15 106.875 15.068 5.011 24 3HD1 LEU 15 HD13 LEU 15 108.075 13.895 4.470 25 1HD2 LEU 15 HD21 LEU 15 110.462 15.021 6.230 26 2HD2 LEU 15 HD22 LEU 15 109.816 15.429 7.818 27 3HD2 LEU 15 HD23 LEU 15 109.454 16.454 6.430 28 H THR 16 HN THR 16 107.915 11.934 7.249 29 HA THR 16 HA THR 16 105.485 10.969 6.125 30 HB THR 16 HB THR 16 107.676 10.644 5.046 31 HG1 THR 16 HG1 THR 16 107.297 8.521 4.428 32 1HG2 THR 16 HG21 THR 16 109.320 10.124 6.512 33 2HG2 THR 16 HG22 THR 16 108.881 8.495 6.000 34 3HG2 THR 16 HG23 THR 16 108.264 9.136 7.522 35 H GLN 17 HN GLN 17 106.996 10.538 9.160 36 HA GLN 17 HA GLN 17 106.071 7.936 9.776 37 1HB GLN 17 HB2 GLN 17 107.582 9.964 11.061 38 2HB GLN 17 HB1 GLN 17 106.264 9.535 12.142 39 1HG GLN 17 HG2 GLN 17 106.926 7.147 11.885 40 2HG GLN 17 HG1 GLN 17 108.337 7.694 10.979 41 1HE2 GLN 17 HE21 GLN 17 110.031 8.635 12.049 42 2HE2 GLN 17 HE22 GLN 17 110.163 8.669 13.771 43 H VAL 18 HN VAL 18 104.518 11.001 9.650 44 HA VAL 18 HA VAL 18 102.254 10.077 11.269 45 HB VAL 18 HB VAL 18 102.643 12.786 9.991 46 1HG1 VAL 18 HG11 VAL 18 100.353 12.434 10.507 47 2HG1 VAL 18 HG12 VAL 18 101.009 13.451 11.789 48 3HG1 VAL 18 HG13 VAL 18 100.746 11.731 12.076 49 1HG2 VAL 18 HG21 VAL 18 104.467 12.348 11.542 50 2HG2 VAL 18 HG22 VAL 18 103.312 11.893 12.795 51 3HG2 VAL 18 HG23 VAL 18 103.365 13.555 12.205 52 H LYS 19 HN LYS 19 103.099 11.056 7.990 53 HA LYS 19 HA LYS 19 100.488 11.046 6.906 54 1HB LYS 19 HB2 LYS 19 103.210 10.661 5.673 55 2HB LYS 19 HB1 LYS 19 101.734 10.704 4.721 56 1HG LYS 19 HG2 LYS 19 101.328 12.976 5.887 57 2HG LYS 19 HG1 LYS 19 103.050 12.902 6.259 58 1HD LYS 19 HD2 LYS 19 103.346 13.847 4.250 59 2HD LYS 19 HD1 LYS 19 102.992 12.247 3.597 60 1HE LYS 19 HE2 LYS 19 100.549 12.938 3.634 61 2HE LYS 19 HE1 LYS 19 101.121 14.578 3.935 62 1HZ LYS 19 HZ1 LYS 19 102.578 14.087 1.848 63 2HZ LYS 19 HZ2 LYS 19 100.965 14.566 1.668 64 3HZ LYS 19 HZ3 LYS 19 101.385 12.933 1.518 65 H GLU 20 HN GLU 20 103.101 8.667 6.519 66 HA GLU 20 HA GLU 20 101.542 6.662 5.357 67 1HB GLU 20 HB2 GLU 20 104.064 6.474 7.010 68 2HB GLU 20 HB1 GLU 20 103.355 5.107 6.161 69 1HG GLU 20 HG2 GLU 20 103.544 6.498 4.053 70 2HG GLU 20 HG1 GLU 20 104.549 7.600 4.994 71 H SER 21 HN SER 21 101.698 7.783 8.594 72 HA SER 21 HA SER 21 100.768 5.389 9.856 73 1HB SER 21 HB2 SER 21 101.836 7.838 10.653 74 2HB SER 21 HB1 SER 21 100.194 7.848 11.286 75 HG SER 21 HG SER 21 102.034 6.808 12.549 76 H LEU 22 HN LEU 22 99.247 8.562 9.265 77 HA LEU 22 HA LEU 22 96.643 7.731 9.942 78 1HB LEU 22 HB2 LEU 22 97.894 10.120 9.171 79 2HB LEU 22 HB1 LEU 22 96.651 9.843 7.966 80 HG LEU 22 HG LEU 22 95.813 11.248 9.768 81 1HD1 LEU 22 HD11 LEU 22 94.356 8.781 10.397 82 2HD1 LEU 22 HD12 LEU 22 94.540 9.115 8.675 83 3HD1 LEU 22 HD13 LEU 22 93.778 10.307 9.728 84 1HD2 LEU 22 HD21 LEU 22 96.849 10.834 11.736 85 2HD2 LEU 22 HD22 LEU 22 96.968 9.099 11.437 86 3HD2 LEU 22 HD23 LEU 22 95.443 9.797 11.984 87 H SER 23 HN SER 23 98.474 7.658 6.965 88 HA SER 23 HA SER 23 96.318 7.070 5.226 89 1HB SER 23 HB2 SER 23 98.889 7.742 4.803 90 2HB SER 23 HB1 SER 23 99.008 5.999 4.573 91 H SER 24 HN SER 24 98.406 5.119 7.238 92 HA SER 24 HA SER 24 97.780 2.597 6.148 93 1HB SER 24 HB2 SER 24 98.693 3.416 8.900 94 2HB SER 24 HB1 SER 24 98.490 1.737 8.410 95 HG SER 24 HG SER 24 100.624 3.131 8.098 96 H TYR 25 HN TYR 25 96.206 4.617 8.553 97 HA TYR 25 HA TYR 25 94.446 2.813 9.690 98 1HB TYR 25 HB2 TYR 25 94.936 5.504 9.814 99 2HB TYR 25 HB1 TYR 25 93.328 5.460 9.105 100 HD1 TYR 25 HD1 TYR 25 91.814 3.510 10.379 101 HD2 TYR 25 HD2 TYR 25 94.932 5.845 12.087 102 HE1 TYR 25 HE1 TYR 25 90.839 3.168 12.611 103 HE2 TYR 25 HE2 TYR 25 93.967 5.510 14.323 104 HH TYR 25 HH TYR 25 92.504 4.006 15.493 105 H TRP 26 HN TRP 26 94.314 4.549 6.653 106 HA TRP 26 HA TRP 26 91.749 3.284 5.977 107 1HB TRP 26 HB2 TRP 26 93.243 5.521 4.589 108 2HB TRP 26 HB1 TRP 26 91.656 4.908 4.131 109 HD1 TRP 26 HD1 TRP 26 93.368 7.218 6.590 110 HE1 TRP 26 HE1 TRP 26 91.588 8.441 7.989 111 HE3 TRP 26 HE3 TRP 26 89.237 4.590 5.124 112 HZ2 TRP 26 HZ2 TRP 26 88.802 8.309 8.415 113 HZ3 TRP 26 HZ3 TRP 26 87.051 5.200 6.076 114 HH2 TRP 26 HH2 TRP 26 86.841 7.022 7.687 115 H GLU 27 HN GLU 27 95.110 3.001 5.418 116 HA GLU 27 HA GLU 27 95.148 2.090 2.760 117 1HB GLU 27 HB2 GLU 27 97.092 2.636 4.441 118 2HB GLU 27 HB1 GLU 27 96.998 0.919 4.802 119 1HG GLU 27 HG2 GLU 27 97.339 2.010 2.024 120 2HG GLU 27 HG1 GLU 27 98.689 1.588 3.075 121 H SER 28 HN SER 28 94.408 0.453 5.780 122 HA SER 28 HA SER 28 94.442 -2.185 4.760 123 1HB SER 28 HB2 SER 28 94.440 -2.273 7.039 124 2HB SER 28 HB1 SER 28 93.411 -0.852 7.208 125 HG SER 28 HG SER 28 92.418 -2.899 7.798 126 H ALA 29 HN ALA 29 91.913 0.265 5.057 127 HA ALA 29 HA ALA 29 89.754 -1.314 4.183 128 1HB ALA 29 HB1 ALA 29 89.514 0.914 5.244 129 2HB ALA 29 HB2 ALA 29 88.614 0.774 3.733 130 3HB ALA 29 HB3 ALA 29 90.142 1.654 3.772 131 H LYS 30 HN LYS 30 92.281 0.439 2.544 132 HA LYS 30 HA LYS 30 91.186 0.080 -0.097 133 1HB LYS 30 HB2 LYS 30 93.594 1.325 1.091 134 2HB LYS 30 HB1 LYS 30 93.785 0.698 -0.541 135 1HG LYS 30 HG2 LYS 30 91.536 2.029 -0.930 136 2HG LYS 30 HG1 LYS 30 92.137 2.957 0.446 137 1HD LYS 30 HD2 LYS 30 94.302 3.215 -0.790 138 2HD LYS 30 HD1 LYS 30 93.519 2.479 -2.191 139 1HE LYS 30 HE2 LYS 30 92.366 4.345 -2.679 140 2HE LYS 30 HE1 LYS 30 92.021 4.693 -0.985 141 1HZ LYS 30 HZ1 LYS 30 94.699 5.131 -2.167 142 2HZ LYS 30 HZ2 LYS 30 94.078 5.752 -0.721 143 3HZ LYS 30 HZ3 LYS 30 93.495 6.320 -2.204 144 H THR 31 HN THR 31 93.278 -1.652 2.066 145 HA THR 31 HA THR 31 94.573 -3.297 0.161 146 HB THR 31 HB THR 31 93.991 -3.736 3.089 147 HG1 THR 31 HG1 THR 31 96.347 -2.834 1.795 148 1HG2 THR 31 HG21 THR 31 95.388 -5.521 3.163 149 2HG2 THR 31 HG22 THR 31 96.274 -5.028 1.719 150 3HG2 THR 31 HG23 THR 31 94.673 -5.751 1.568 151 H ALA 32 HN ALA 32 91.775 -3.847 2.297 152 HA ALA 32 HA ALA 32 91.132 -6.424 1.493 153 1HB ALA 32 HB1 ALA 32 89.733 -4.218 2.822 154 2HB ALA 32 HB2 ALA 32 89.757 -5.940 3.205 155 3HB ALA 32 HB3 ALA 32 88.672 -5.329 1.955 156 H ALA 33 HN ALA 33 90.805 -3.421 -0.136 157 HA ALA 33 HA ALA 33 88.887 -4.337 -2.087 158 1HB ALA 33 HB1 ALA 33 90.641 -1.908 -2.331 159 2HB ALA 33 HB2 ALA 33 89.199 -1.931 -1.317 160 3HB ALA 33 HB3 ALA 33 89.060 -2.198 -3.055 161 H GLN 34 HN GLN 34 92.378 -3.826 -1.889 162 HA GLN 34 HA GLN 34 93.005 -4.341 -4.580 163 1HB GLN 34 HB2 GLN 34 94.465 -4.300 -2.007 164 2HB GLN 34 HB1 GLN 34 95.215 -5.232 -3.296 165 1HG GLN 34 HG2 GLN 34 95.824 -3.406 -4.423 166 2HG GLN 34 HG1 GLN 34 94.283 -2.598 -4.139 167 1HE2 GLN 34 HE21 GLN 34 94.486 -0.782 -3.067 168 2HE2 GLN 34 HE22 GLN 34 95.649 -0.442 -1.835 169 H ASN 35 HN ASN 35 92.364 -6.444 -1.873 170 HA ASN 35 HA ASN 35 93.399 -8.834 -2.786 171 1HB ASN 35 HB2 ASN 35 91.943 -7.963 -0.633 172 2HB ASN 35 HB1 ASN 35 90.818 -9.059 -1.426 173 1HD2 ASN 35 HD21 ASN 35 91.328 -11.243 -1.587 174 2HD2 ASN 35 HD22 ASN 35 92.567 -11.969 -0.626 175 H LEU 36 HN LEU 36 90.010 -7.727 -3.098 176 HA LEU 36 HA LEU 36 89.441 -9.783 -5.026 177 1HB LEU 36 HB2 LEU 36 88.078 -8.233 -3.142 178 2HB LEU 36 HB1 LEU 36 87.393 -7.803 -4.695 179 HG LEU 36 HG LEU 36 87.606 -10.654 -4.566 180 1HD1 LEU 36 HD11 LEU 36 87.590 -10.127 -2.077 181 2HD1 LEU 36 HD12 LEU 36 86.354 -11.237 -2.669 182 3HD1 LEU 36 HD13 LEU 36 85.940 -9.558 -2.322 183 1HD2 LEU 36 HD21 LEU 36 85.520 -10.561 -5.431 184 2HD2 LEU 36 HD22 LEU 36 85.956 -8.872 -5.692 185 3HD2 LEU 36 HD23 LEU 36 84.982 -9.326 -4.293 186 H TYR 37 HN TYR 37 90.230 -6.370 -5.124 187 HA TYR 37 HA TYR 37 89.362 -6.246 -7.933 188 1HB TYR 37 HB2 TYR 37 89.718 -4.203 -5.803 189 2HB TYR 37 HB1 TYR 37 89.949 -3.706 -7.472 190 HD1 TYR 37 HD1 TYR 37 88.110 -3.119 -8.773 191 HD2 TYR 37 HD2 TYR 37 87.505 -5.427 -5.251 192 HE1 TYR 37 HE1 TYR 37 85.677 -2.897 -9.052 193 HE2 TYR 37 HE2 TYR 37 85.071 -5.212 -5.521 194 HH TYR 37 HH TYR 37 83.633 -2.989 -7.536 195 H GLU 38 HN GLU 38 92.187 -6.827 -6.278 196 HA GLU 38 HA GLU 38 93.735 -5.841 -8.577 197 1HB GLU 38 HB2 GLU 38 94.352 -5.462 -5.672 198 2HB GLU 38 HB1 GLU 38 95.652 -5.538 -6.848 199 1HG GLU 38 HG2 GLU 38 93.392 -3.695 -7.387 200 2HG GLU 38 HG1 GLU 38 94.543 -3.258 -6.125 201 H LYS 39 HN LYS 39 94.545 -7.736 -5.665 202 HA LYS 39 HA LYS 39 96.297 -9.429 -7.058 203 1HB LYS 39 HB2 LYS 39 96.679 -10.483 -5.065 204 2HB LYS 39 HB1 LYS 39 95.967 -8.991 -4.475 205 1HG LYS 39 HG2 LYS 39 93.878 -10.059 -4.081 206 2HG LYS 39 HG1 LYS 39 94.399 -11.523 -4.908 207 1HD LYS 39 HD2 LYS 39 96.335 -11.257 -3.019 208 2HD LYS 39 HD1 LYS 39 94.932 -10.603 -2.171 209 1HE LYS 39 HE2 LYS 39 93.684 -12.627 -2.587 210 2HE LYS 39 HE1 LYS 39 94.998 -13.274 -3.569 211 1HZ LYS 39 HZ1 LYS 39 94.695 -13.237 -0.709 212 2HZ LYS 39 HZ2 LYS 39 96.218 -12.710 -1.222 213 3HZ LYS 39 HZ3 LYS 39 95.652 -14.236 -1.682 214 H THR 40 HN THR 40 92.909 -9.930 -6.110 215 HA THR 40 HA THR 40 92.766 -12.545 -7.228 216 HB THR 40 HB THR 40 90.613 -10.590 -6.401 217 HG1 THR 40 HG1 THR 40 91.699 -12.875 -5.123 218 1HG2 THR 40 HG21 THR 40 90.230 -13.536 -6.783 219 2HG2 THR 40 HG22 THR 40 89.850 -12.358 -8.039 220 3HG2 THR 40 HG23 THR 40 89.013 -12.295 -6.487 221 H TYR 41 HN TYR 41 92.326 -9.330 -8.473 222 HA TYR 41 HA TYR 41 90.753 -9.929 -10.726 223 1HB TYR 41 HB2 TYR 41 91.878 -7.659 -9.587 224 2HB TYR 41 HB1 TYR 41 92.666 -7.776 -11.155 225 HD1 TYR 41 HD1 TYR 41 91.692 -6.101 -12.450 226 HD2 TYR 41 HD2 TYR 41 89.187 -8.679 -10.173 227 HE1 TYR 41 HE1 TYR 41 89.712 -5.106 -13.514 228 HE2 TYR 41 HE2 TYR 41 87.199 -7.692 -11.232 229 HH TYR 41 HH TYR 41 86.940 -6.339 -13.759 230 H LEU 42 HN LEU 42 94.095 -10.452 -10.038 231 HA LEU 42 HA LEU 42 94.481 -11.474 -12.769 232 1HB LEU 42 HB2 LEU 42 96.491 -9.894 -11.159 233 2HB LEU 42 HB1 LEU 42 96.804 -10.642 -12.712 234 HG LEU 42 HG LEU 42 94.513 -8.817 -12.736 235 1HD1 LEU 42 HD11 LEU 42 96.393 -7.871 -11.121 236 2HD1 LEU 42 HD12 LEU 42 95.508 -6.837 -12.243 237 3HD1 LEU 42 HD13 LEU 42 97.120 -7.413 -12.660 238 1HD2 LEU 42 HD21 LEU 42 96.148 -9.971 -14.581 239 2HD2 LEU 42 HD22 LEU 42 96.821 -8.345 -14.477 240 3HD2 LEU 42 HD23 LEU 42 95.119 -8.571 -14.880 241 HA PRO 43 HA PRO 43 96.054 -15.105 -10.819 242 1HB PRO 43 HB2 PRO 43 98.034 -15.922 -12.466 243 2HB PRO 43 HB1 PRO 43 96.328 -15.990 -12.922 244 1HG PRO 43 HG2 PRO 43 98.402 -13.954 -13.642 245 2HG PRO 43 HG1 PRO 43 97.170 -14.709 -14.672 246 1HD PRO 43 HD2 PRO 43 96.888 -12.226 -13.614 247 2HD PRO 43 HD1 PRO 43 95.511 -13.295 -13.939 248 H ALA 44 HN ALA 44 97.100 -12.838 -9.534 249 HA ALA 44 HA ALA 44 98.844 -12.048 -8.290 250 1HB ALA 44 HB1 ALA 44 100.152 -14.112 -7.263 251 2HB ALA 44 HB2 ALA 44 98.794 -14.994 -7.963 252 3HB ALA 44 HB3 ALA 44 98.501 -13.716 -6.784 253 H VAL 45 HN VAL 45 99.491 -12.111 -11.064 254 HA VAL 45 HA VAL 45 102.391 -12.673 -10.936 255 HB VAL 45 HB VAL 45 100.683 -12.702 -13.427 256 1HG1 VAL 45 HG11 VAL 45 102.605 -13.483 -14.570 257 2HG1 VAL 45 HG12 VAL 45 103.492 -13.718 -13.064 258 3HG1 VAL 45 HG13 VAL 45 103.123 -12.087 -13.626 259 1HG2 VAL 45 HG21 VAL 45 101.207 -14.760 -11.430 260 2HG2 VAL 45 HG22 VAL 45 101.643 -15.252 -13.066 261 3HG2 VAL 45 HG23 VAL 45 100.002 -14.710 -12.716 262 H ASP 46 HN ASP 46 99.876 -10.424 -11.860 263 HA ASP 46 HA ASP 46 101.425 -8.600 -13.318 264 1HB ASP 46 HB2 ASP 46 98.777 -8.669 -12.125 265 2HB ASP 46 HB1 ASP 46 99.503 -7.069 -12.000 266 H GLU 47 HN GLU 47 101.131 -9.137 -9.886 267 HA GLU 47 HA GLU 47 102.307 -6.623 -9.150 268 1HB GLU 47 HB2 GLU 47 102.559 -7.789 -6.890 269 2HB GLU 47 HB1 GLU 47 100.932 -7.500 -7.485 270 1HG GLU 47 HG2 GLU 47 100.656 -9.776 -8.092 271 2HG GLU 47 HG1 GLU 47 102.366 -10.116 -7.831 272 H LYS 48 HN LYS 48 103.461 -9.971 -9.409 273 HA LYS 48 HA LYS 48 106.034 -9.593 -8.415 274 1HB LYS 48 HB2 LYS 48 104.887 -11.499 -10.437 275 2HB LYS 48 HB1 LYS 48 106.607 -11.508 -10.070 276 1HG LYS 48 HG2 LYS 48 104.491 -11.788 -7.957 277 2HG LYS 48 HG1 LYS 48 105.186 -13.165 -8.812 278 1HD LYS 48 HD2 LYS 48 106.944 -13.155 -7.451 279 2HD LYS 48 HD1 LYS 48 107.305 -11.486 -7.892 280 1HE LYS 48 HE2 LYS 48 105.101 -11.966 -5.961 281 2HE LYS 48 HE1 LYS 48 106.754 -12.203 -5.396 282 1HZ LYS 48 HZ1 LYS 48 106.415 -9.996 -4.948 283 2HZ LYS 48 HZ2 LYS 48 105.438 -9.737 -6.304 284 3HZ LYS 48 HZ3 LYS 48 107.112 -9.889 -6.486 285 H LEU 49 HN LEU 49 104.658 -8.928 -11.560 286 HA LEU 49 HA LEU 49 107.216 -8.143 -12.677 287 1HB LEU 49 HB2 LEU 49 106.197 -8.196 -14.721 288 2HB LEU 49 HB1 LEU 49 105.180 -9.321 -13.841 289 HG LEU 49 HG LEU 49 103.729 -7.168 -13.388 290 1HD1 LEU 49 HD11 LEU 49 105.689 -5.999 -14.867 291 2HD1 LEU 49 HD12 LEU 49 104.053 -5.369 -14.679 292 3HD1 LEU 49 HD13 LEU 49 104.470 -6.336 -16.096 293 1HD2 LEU 49 HD21 LEU 49 103.686 -8.428 -16.119 294 2HD2 LEU 49 HD22 LEU 49 102.327 -7.792 -15.191 295 3HD2 LEU 49 HD23 LEU 49 103.145 -9.262 -14.663 296 H ARG 50 HN ARG 50 104.539 -6.684 -11.044 297 HA ARG 50 HA ARG 50 105.070 -4.027 -12.075 298 1HB ARG 50 HB2 ARG 50 103.056 -5.274 -10.306 299 2HB ARG 50 HB1 ARG 50 103.438 -3.594 -9.963 300 1HG ARG 50 HG2 ARG 50 102.823 -4.407 -12.762 301 2HG ARG 50 HG1 ARG 50 101.508 -4.202 -11.601 302 1HD ARG 50 HD2 ARG 50 103.606 -2.092 -11.985 303 2HD ARG 50 HD1 ARG 50 102.193 -2.182 -13.037 304 HE ARG 50 HE ARG 50 101.104 -2.201 -10.571 305 1HH1 ARG 50 HH11 ARG 50 103.443 -0.114 -12.104 306 2HH1 ARG 50 HH12 ARG 50 102.983 1.282 -11.189 307 1HH2 ARG 50 HH21 ARG 50 100.496 -0.365 -9.368 308 2HH2 ARG 50 HH22 ARG 50 101.312 1.139 -9.634 309 H ASP 51 HN ASP 51 106.344 -6.005 -9.641 310 HA ASP 51 HA ASP 51 106.963 -4.032 -7.701 311 1HB ASP 51 HB2 ASP 51 107.579 -6.860 -8.163 312 2HB ASP 51 HB1 ASP 51 108.885 -5.977 -7.379 313 H LEU 52 HN LEU 52 108.823 -5.481 -10.358 314 HA LEU 52 HA LEU 52 111.279 -4.344 -9.995 315 1HB LEU 52 HB2 LEU 52 111.602 -4.484 -12.404 316 2HB LEU 52 HB1 LEU 52 110.784 -5.911 -11.796 317 HG LEU 52 HG LEU 52 108.640 -4.446 -12.510 318 1HD1 LEU 52 HD11 LEU 52 110.942 -3.486 -14.160 319 2HD1 LEU 52 HD12 LEU 52 109.620 -2.567 -13.440 320 3HD1 LEU 52 HD13 LEU 52 109.322 -3.584 -14.850 321 1HD2 LEU 52 HD21 LEU 52 110.332 -6.400 -14.009 322 2HD2 LEU 52 HD22 LEU 52 108.911 -5.692 -14.779 323 3HD2 LEU 52 HD23 LEU 52 108.736 -6.617 -13.288 324 H TYR 53 HN TYR 53 108.353 -2.802 -11.076 325 HA TYR 53 HA TYR 53 109.617 -0.376 -11.961 326 1HB TYR 53 HB2 TYR 53 107.210 -1.464 -12.462 327 2HB TYR 53 HB1 TYR 53 106.756 -0.363 -11.164 328 HD1 TYR 53 HD1 TYR 53 107.346 -0.671 -14.644 329 HD2 TYR 53 HD2 TYR 53 107.556 2.099 -11.421 330 HE1 TYR 53 HE1 TYR 53 107.325 1.191 -16.250 331 HE2 TYR 53 HE2 TYR 53 107.531 3.968 -13.018 332 HH TYR 53 HH TYR 53 106.933 4.477 -15.253 333 H SER 54 HN SER 54 107.504 -1.168 -9.199 334 HA SER 54 HA SER 54 108.055 1.317 -7.887 335 1HB SER 54 HB2 SER 54 106.553 -1.155 -7.035 336 2HB SER 54 HB1 SER 54 106.725 0.265 -6.004 337 HG SER 54 HG SER 54 104.994 -0.148 -7.993 338 H LYS 55 HN LYS 55 110.138 -1.010 -8.309 339 HA LYS 55 HA LYS 55 111.207 -0.887 -5.567 340 1HB LYS 55 HB2 LYS 55 110.749 -3.144 -7.180 341 2HB LYS 55 HB1 LYS 55 112.489 -2.911 -7.177 342 1HG LYS 55 HG2 LYS 55 111.046 -2.788 -4.584 343 2HG LYS 55 HG1 LYS 55 111.285 -4.362 -5.345 344 1HD LYS 55 HD2 LYS 55 113.535 -4.324 -5.027 345 2HD LYS 55 HD1 LYS 55 113.640 -2.573 -5.215 346 1HE LYS 55 HE2 LYS 55 113.738 -2.357 -3.008 347 2HE LYS 55 HE1 LYS 55 112.133 -3.076 -2.876 348 1HZ LYS 55 HZ1 LYS 55 114.750 -4.464 -2.777 349 2HZ LYS 55 HZ2 LYS 55 113.281 -5.284 -2.943 350 3HZ LYS 55 HZ3 LYS 55 113.581 -4.366 -1.555 351 H SER 56 HN SER 56 111.740 -0.150 -8.877 352 HA SER 56 HA SER 56 114.525 0.613 -8.306 353 1HB SER 56 HB2 SER 56 113.222 0.166 -10.998 354 2HB SER 56 HB1 SER 56 114.926 0.510 -10.702 355 HG SER 56 HG SER 56 115.151 -1.473 -9.742 356 H THR 57 HN THR 57 111.641 1.987 -8.157 357 HA THR 57 HA THR 57 112.543 4.512 -9.382 358 HB THR 57 HB THR 57 110.565 3.501 -10.501 359 HG1 THR 57 HG1 THR 57 109.379 5.415 -10.491 360 1HG2 THR 57 HG21 THR 57 109.609 2.601 -8.281 361 2HG2 THR 57 HG22 THR 57 108.503 3.221 -9.507 362 3HG2 THR 57 HG23 THR 57 108.923 4.218 -8.114 363 H ALA 58 HN ALA 58 111.399 2.938 -6.512 364 HA ALA 58 HA ALA 58 111.771 5.440 -5.051 365 1HB ALA 58 HB1 ALA 58 109.646 4.775 -3.705 366 2HB ALA 58 HB2 ALA 58 109.216 3.898 -5.173 367 3HB ALA 58 HB3 ALA 58 109.479 5.640 -5.233 368 H ALA 59 HN ALA 59 111.088 1.960 -4.811 369 HA ALA 59 HA ALA 59 111.862 1.682 -2.124 370 1HB ALA 59 HB1 ALA 59 112.358 -0.582 -3.967 371 2HB ALA 59 HB2 ALA 59 110.706 0.028 -3.856 372 3HB ALA 59 HB3 ALA 59 111.535 -0.544 -2.407 373 H MET 60 HN MET 60 113.747 2.354 -4.877 374 HA MET 60 HA MET 60 116.180 1.383 -3.529 375 1HB MET 60 HB2 MET 60 117.261 1.325 -5.650 376 2HB MET 60 HB1 MET 60 115.704 0.538 -5.843 377 1HG MET 60 HG2 MET 60 114.984 2.046 -7.325 378 2HG MET 60 HG1 MET 60 115.686 3.398 -6.454 379 1HE MET 60 HE1 MET 60 118.667 4.304 -7.521 380 2HE MET 60 HE2 MET 60 116.977 4.727 -7.243 381 3HE MET 60 HE3 MET 60 117.617 4.684 -8.886 382 H SER 61 HN SER 61 114.646 4.163 -5.005 383 HA SER 61 HA SER 61 116.894 5.900 -4.728 384 1HB SER 61 HB2 SER 61 114.390 6.003 -6.012 385 2HB SER 61 HB1 SER 61 114.391 7.332 -4.851 386 HG SER 61 HG SER 61 115.745 7.082 -7.183 387 H THR 62 HN THR 62 114.227 4.986 -2.691 388 HA THR 62 HA THR 62 114.693 7.168 -0.835 389 HB THR 62 HB THR 62 112.850 4.792 -0.537 390 HG1 THR 62 HG1 THR 62 111.365 5.906 -1.598 391 1HG2 THR 62 HG21 THR 62 111.560 6.368 0.903 392 2HG2 THR 62 HG22 THR 62 112.952 7.451 0.856 393 3HG2 THR 62 HG23 THR 62 113.108 5.846 1.571 394 H TYR 63 HN TYR 63 115.336 3.721 -1.101 395 HA TYR 63 HA TYR 63 116.264 3.434 1.593 396 1HB TYR 63 HB2 TYR 63 115.534 1.776 -0.546 397 2HB TYR 63 HB1 TYR 63 117.221 1.418 -0.210 398 HD1 TYR 63 HD1 TYR 63 117.771 1.113 2.373 399 HD2 TYR 63 HD2 TYR 63 113.920 0.614 0.638 400 HE1 TYR 63 HE1 TYR 63 117.097 -0.278 4.286 401 HE2 TYR 63 HE2 TYR 63 113.235 -0.777 2.545 402 HH TYR 63 HH TYR 63 114.352 -2.206 4.278 403 H THR 64 HN THR 64 117.710 4.113 -1.533 404 HA THR 64 HA THR 64 120.369 3.522 -1.025 405 HB THR 64 HB THR 64 120.715 5.679 -2.553 406 HG1 THR 64 HG1 THR 64 118.068 5.000 -3.235 407 1HG2 THR 64 HG21 THR 64 119.402 3.860 -4.292 408 2HG2 THR 64 HG22 THR 64 120.301 2.941 -3.084 409 3HG2 THR 64 HG23 THR 64 121.128 4.142 -4.076 410 H GLY 65 HN GLY 65 118.372 6.014 0.201 411 1HA GLY 65 HA2 GLY 65 120.630 7.529 1.270 412 2HA GLY 65 HA1 GLY 65 118.936 7.998 1.345 413 H ILE 66 HN ILE 66 118.336 5.132 2.257 414 HA ILE 66 HA ILE 66 118.815 5.679 5.084 415 HB ILE 66 HB ILE 66 117.073 3.540 3.861 416 1HG1 ILE 66 HG12 ILE 66 116.292 5.776 3.225 417 2HG1 ILE 66 HG11 ILE 66 115.187 5.034 4.378 418 1HG2 ILE 66 HG21 ILE 66 116.002 3.664 6.159 419 2HG2 ILE 66 HG22 ILE 66 117.429 4.571 6.661 420 3HG2 ILE 66 HG23 ILE 66 117.596 2.918 6.070 421 1HD1 ILE 66 HD11 ILE 66 116.002 6.399 6.146 422 2HD1 ILE 66 HD12 ILE 66 115.660 7.447 4.769 423 3HD1 ILE 66 HD13 ILE 66 117.324 7.002 5.145 424 H PHE 67 HN PHE 67 119.954 3.701 2.570 425 HA PHE 67 HA PHE 67 120.784 1.430 4.015 426 1HB PHE 67 HB2 PHE 67 120.731 2.223 1.389 427 2HB PHE 67 HB1 PHE 67 122.455 2.215 1.742 428 HD1 PHE 67 HD1 PHE 67 123.616 0.247 1.463 429 HD2 PHE 67 HD2 PHE 67 119.434 0.086 2.227 430 HE1 PHE 67 HE1 PHE 67 123.663 -2.198 1.188 431 HE2 PHE 67 HE2 PHE 67 119.472 -2.359 1.954 432 HZ PHE 67 HZ PHE 67 121.590 -3.503 1.434 433 H THR 68 HN THR 68 122.702 4.149 2.781 434 HA THR 68 HA THR 68 125.022 3.509 4.266 435 HB THR 68 HB THR 68 124.708 6.340 3.562 436 HG1 THR 68 HG1 THR 68 124.294 6.102 1.477 437 1HG2 THR 68 HG21 THR 68 126.613 4.748 2.051 438 2HG2 THR 68 HG22 THR 68 126.804 4.599 3.799 439 3HG2 THR 68 HG23 THR 68 126.861 6.189 3.037 440 H ASP 69 HN ASP 69 122.145 5.297 5.022 441 HA ASP 69 HA ASP 69 123.033 6.939 7.076 442 1HB ASP 69 HB2 ASP 69 120.660 6.612 5.954 443 2HB ASP 69 HB1 ASP 69 120.393 5.576 7.351 444 H GLN 70 HN GLN 70 122.552 3.506 7.026 445 HA GLN 70 HA GLN 70 122.927 3.362 9.933 446 1HB GLN 70 HB2 GLN 70 121.027 2.124 8.771 447 2HB GLN 70 HB1 GLN 70 122.259 1.063 8.104 448 1HG GLN 70 HG2 GLN 70 121.944 -0.174 9.922 449 2HG GLN 70 HG1 GLN 70 122.870 1.064 10.770 450 1HE2 GLN 70 HE21 GLN 70 119.544 0.520 9.644 451 2HE2 GLN 70 HE22 GLN 70 118.782 1.086 11.087 452 H VAL 71 HN VAL 71 124.910 3.652 7.468 453 HA VAL 71 HA VAL 71 126.736 1.474 8.216 454 HB VAL 71 HB VAL 71 126.827 3.369 5.866 455 1HG1 VAL 71 HG11 VAL 71 128.784 2.420 5.166 456 2HG1 VAL 71 HG12 VAL 71 128.448 0.880 5.958 457 3HG1 VAL 71 HG13 VAL 71 129.008 2.255 6.908 458 1HG2 VAL 71 HG21 VAL 71 126.424 1.141 4.630 459 2HG2 VAL 71 HG22 VAL 71 125.058 1.927 5.421 460 3HG2 VAL 71 HG23 VAL 71 125.852 0.556 6.192 461 H LEU 72 HN LEU 72 126.695 4.998 7.672 462 HA LEU 72 HA LEU 72 129.297 5.299 8.868 463 1HB LEU 72 HB2 LEU 72 128.603 7.802 8.706 464 2HB LEU 72 HB1 LEU 72 128.987 6.911 7.247 465 HG LEU 72 HG LEU 72 126.138 6.856 7.971 466 1HD1 LEU 72 HD11 LEU 72 126.082 9.041 8.537 467 2HD1 LEU 72 HD12 LEU 72 126.119 9.263 6.788 468 3HD1 LEU 72 HD13 LEU 72 127.606 9.405 7.726 469 1HD2 LEU 72 HD21 LEU 72 127.681 7.494 5.461 470 2HD2 LEU 72 HD22 LEU 72 125.926 7.355 5.564 471 3HD2 LEU 72 HD23 LEU 72 126.944 5.950 5.881 472 H SER 73 HN SER 73 125.965 5.500 9.786 473 HA SER 73 HA SER 73 126.263 6.957 12.184 474 1HB SER 73 HB2 SER 73 124.112 6.557 10.948 475 2HB SER 73 HB1 SER 73 124.136 4.909 11.573 476 HG SER 73 HG SER 73 124.326 6.013 13.711 477 H VAL 74 HN VAL 74 127.010 3.714 11.343 478 HA VAL 74 HA VAL 74 127.401 3.062 14.197 479 HB VAL 74 HB VAL 74 126.832 1.069 12.013 480 1HG1 VAL 74 HG11 VAL 74 127.676 -0.289 13.591 481 2HG1 VAL 74 HG12 VAL 74 126.109 -0.077 14.370 482 3HG1 VAL 74 HG13 VAL 74 127.483 0.909 14.869 483 1HG2 VAL 74 HG21 VAL 74 124.590 0.923 13.349 484 2HG2 VAL 74 HG22 VAL 74 124.801 2.156 12.106 485 3HG2 VAL 74 HG23 VAL 74 124.983 2.579 13.808 486 H LEU 75 HN LEU 75 128.834 3.258 11.058 487 HA LEU 75 HA LEU 75 131.204 1.811 12.060 488 1HB LEU 75 HB2 LEU 75 130.625 2.342 9.165 489 2HB LEU 75 HB1 LEU 75 131.736 1.177 9.859 490 HG LEU 75 HG LEU 75 128.736 1.003 10.131 491 1HD1 LEU 75 HD11 LEU 75 128.606 -0.289 8.266 492 2HD1 LEU 75 HD12 LEU 75 130.262 -0.875 8.418 493 3HD1 LEU 75 HD13 LEU 75 129.953 0.738 7.779 494 1HD2 LEU 75 HD21 LEU 75 129.188 -1.279 10.852 495 2HD2 LEU 75 HD22 LEU 75 130.003 -0.118 11.899 496 3HD2 LEU 75 HD23 LEU 75 130.922 -1.003 10.681 497 H LYS 76 HN LYS 76 130.118 4.931 11.097 498 HA LYS 76 HA LYS 76 132.895 5.793 10.646 499 1HB LYS 76 HB2 LYS 76 130.274 6.666 9.661 500 2HB LYS 76 HB1 LYS 76 131.358 7.972 10.091 501 1HG LYS 76 HG2 LYS 76 132.968 6.282 8.636 502 2HG LYS 76 HG1 LYS 76 131.413 6.180 7.808 503 1HD LYS 76 HD2 LYS 76 131.417 8.420 7.248 504 2HD LYS 76 HD1 LYS 76 132.493 8.856 8.577 505 1HE LYS 76 HE2 LYS 76 133.418 7.142 6.293 506 2HE LYS 76 HE1 LYS 76 133.442 8.902 6.196 507 1HZ LYS 76 HZ1 LYS 76 135.537 7.717 6.991 508 2HZ LYS 76 HZ2 LYS 76 134.715 7.481 8.450 509 3HZ LYS 76 HZ3 LYS 76 135.006 9.049 7.889 510 H GLY 77 HN GLY 77 130.405 5.815 12.951 511 1HA GLY 77 HA2 GLY 77 131.038 6.536 15.200 512 2HA GLY 77 HA1 GLY 77 131.806 7.934 14.455 513 H GLU 78 HN GLU 78 128.668 6.478 13.770 514 HA GLU 78 HA GLU 78 126.552 7.261 13.899 515 1HB GLU 78 HB2 GLU 78 127.610 7.895 16.251 516 2HB GLU 78 HB1 GLU 78 127.305 9.521 15.658 517 1HG GLU 78 HG2 GLU 78 124.977 8.012 15.156 518 2HG GLU 78 HG1 GLU 78 125.485 7.650 16.804 519 H GLU 79 HN GLU 79 127.637 7.943 11.630 520 HA GLU 79 HA GLU 79 127.520 9.416 9.902 521 1HB GLU 79 HB2 GLU 79 125.888 11.211 11.690 522 2HB GLU 79 HB1 GLU 79 125.864 11.130 9.934 523 1HG GLU 79 HG2 GLU 79 124.384 9.464 9.918 524 2HG GLU 79 HG1 GLU 79 125.208 8.595 11.211 Start of MODEL 16 1 H THR 13 H THR 13 65.199 5.065 1.396 2 HA THR 13 HA THR 13 64.850 5.236 3.816 3 HB THR 13 HB THR 13 67.609 5.182 3.971 4 HG1 THR 13 HG1 THR 13 67.658 5.697 1.703 5 1HG2 THR 13 HG21 THR 13 65.915 2.946 2.889 6 2HG2 THR 13 HG22 THR 13 66.054 3.362 4.597 7 3HG2 THR 13 HG23 THR 13 67.473 2.813 3.706 8 H PHE 14 HN PHE 14 66.795 6.023 5.524 9 HA PHE 14 HA PHE 14 67.308 8.856 5.298 10 1HB PHE 14 HB2 PHE 14 64.882 8.498 6.152 11 2HB PHE 14 HB1 PHE 14 65.646 7.988 7.653 12 HD1 PHE 14 HD1 PHE 14 65.647 10.803 5.214 13 HD2 PHE 14 HD2 PHE 14 66.169 9.560 9.251 14 HE1 PHE 14 HE1 PHE 14 65.879 13.154 5.904 15 HE2 PHE 14 HE2 PHE 14 66.399 11.907 9.949 16 HZ PHE 14 HZ PHE 14 66.256 13.709 8.275 17 H LEU 15 HN LEU 15 67.039 6.258 7.739 18 HA LEU 15 HA LEU 15 69.438 7.169 9.070 19 1HB LEU 15 HB2 LEU 15 67.823 4.659 9.531 20 2HB LEU 15 HB1 LEU 15 69.044 5.318 10.602 21 HG LEU 15 HG LEU 15 66.344 6.508 9.974 22 1HD1 LEU 15 HD11 LEU 15 67.213 4.669 11.922 23 2HD1 LEU 15 HD12 LEU 15 65.649 5.476 11.806 24 3HD1 LEU 15 HD13 LEU 15 66.950 6.204 12.749 25 1HD2 LEU 15 HD21 LEU 15 68.762 7.683 11.270 26 2HD2 LEU 15 HD22 LEU 15 67.156 8.135 11.845 27 3HD2 LEU 15 HD23 LEU 15 67.605 8.424 10.165 28 H THR 16 HN THR 16 68.421 4.348 7.183 29 HA THR 16 HA THR 16 70.938 3.035 7.243 30 HB THR 16 HB THR 16 68.887 2.679 5.070 31 HG1 THR 16 HG1 THR 16 68.696 2.019 7.790 32 1HG2 THR 16 HG21 THR 16 71.153 1.165 6.031 33 2HG2 THR 16 HG22 THR 16 70.207 0.978 4.554 34 3HG2 THR 16 HG23 THR 16 69.665 0.218 6.051 35 H GLN 17 HN GLN 17 69.529 5.486 5.198 36 HA GLN 17 HA GLN 17 71.285 5.231 3.002 37 1HB GLN 17 HB2 GLN 17 69.118 6.475 2.977 38 2HB GLN 17 HB1 GLN 17 69.880 7.737 3.936 39 1HG GLN 17 HG2 GLN 17 71.527 7.229 1.685 40 2HG GLN 17 HG1 GLN 17 69.866 7.409 1.123 41 1HE2 GLN 17 HE21 GLN 17 68.858 9.373 1.282 42 2HE2 GLN 17 HE22 GLN 17 69.684 10.827 1.716 43 H VAL 18 HN VAL 18 71.796 6.393 6.157 44 HA VAL 18 HA VAL 18 74.114 8.010 5.352 45 HB VAL 18 HB VAL 18 72.924 7.676 8.109 46 1HG1 VAL 18 HG11 VAL 18 75.230 9.145 7.007 47 2HG1 VAL 18 HG12 VAL 18 74.949 8.526 8.634 48 3HG1 VAL 18 HG13 VAL 18 74.212 10.047 8.131 49 1HG2 VAL 18 HG21 VAL 18 71.511 8.783 6.213 50 2HG2 VAL 18 HG22 VAL 18 72.610 10.144 6.453 51 3HG2 VAL 18 HG23 VAL 18 71.624 9.557 7.793 52 H LYS 19 HN LYS 19 73.195 5.147 7.167 53 HA LYS 19 HA LYS 19 75.707 4.584 8.329 54 1HB LYS 19 HB2 LYS 19 73.137 3.428 8.280 55 2HB LYS 19 HB1 LYS 19 74.240 2.186 7.706 56 1HG LYS 19 HG2 LYS 19 74.417 1.750 9.910 57 2HG LYS 19 HG1 LYS 19 75.620 3.039 9.836 58 1HD LYS 19 HD2 LYS 19 74.185 3.489 11.692 59 2HD LYS 19 HD1 LYS 19 73.804 4.656 10.425 60 1HE LYS 19 HE2 LYS 19 71.823 3.508 9.835 61 2HE LYS 19 HE1 LYS 19 72.279 2.088 10.775 62 1HZ LYS 19 HZ1 LYS 19 72.252 4.120 12.597 63 2HZ LYS 19 HZ2 LYS 19 71.043 2.958 12.386 64 3HZ LYS 19 HZ3 LYS 19 70.917 4.457 11.612 65 H GLU 20 HN GLU 20 74.100 3.006 5.578 66 HA GLU 20 HA GLU 20 76.330 1.569 4.690 67 1HB GLU 20 HB2 GLU 20 74.015 2.607 3.041 68 2HB GLU 20 HB1 GLU 20 75.113 1.315 2.576 69 1HG GLU 20 HG2 GLU 20 74.325 0.128 4.696 70 2HG GLU 20 HG1 GLU 20 73.017 1.310 4.715 71 H SER 21 HN SER 21 75.590 4.900 4.484 72 HA SER 21 HA SER 21 77.224 5.464 2.187 73 1HB SER 21 HB2 SER 21 75.225 6.763 3.637 74 2HB SER 21 HB1 SER 21 76.674 7.725 3.914 75 HG SER 21 HG SER 21 75.162 7.866 1.839 76 H LEU 22 HN LEU 22 77.446 6.285 5.654 77 HA LEU 22 HA LEU 22 80.077 7.268 5.535 78 1HB LEU 22 HB2 LEU 22 78.132 7.165 7.453 79 2HB LEU 22 HB1 LEU 22 79.286 5.995 8.065 80 HG LEU 22 HG LEU 22 81.046 7.849 7.736 81 1HD1 LEU 22 HD11 LEU 22 80.422 9.884 7.093 82 2HD1 LEU 22 HD12 LEU 22 79.086 9.914 8.244 83 3HD1 LEU 22 HD13 LEU 22 78.864 9.185 6.654 84 1HD2 LEU 22 HD21 LEU 22 78.964 7.619 9.841 85 2HD2 LEU 22 HD22 LEU 22 80.067 8.993 9.908 86 3HD2 LEU 22 HD23 LEU 22 80.704 7.349 9.934 87 H SER 23 HN SER 23 78.761 4.057 5.905 88 HA SER 23 HA SER 23 81.169 2.794 6.724 89 1HB SER 23 HB2 SER 23 78.555 1.837 5.614 90 2HB SER 23 HB1 SER 23 79.915 0.720 5.717 91 H SER 24 HN SER 24 79.572 3.211 3.604 92 HA SER 24 HA SER 24 81.574 1.866 2.099 93 1HB SER 24 HB2 SER 24 79.554 3.934 1.208 94 2HB SER 24 HB1 SER 24 80.511 2.909 0.138 95 HG SER 24 HG SER 24 78.950 1.531 0.355 96 H TYR 25 HN TYR 25 81.142 5.112 3.286 97 HA TYR 25 HA TYR 25 82.894 6.547 1.680 98 1HB TYR 25 HB2 TYR 25 81.347 6.981 3.923 99 2HB TYR 25 HB1 TYR 25 82.978 7.230 4.524 100 HD1 TYR 25 HD1 TYR 25 80.880 8.184 1.581 101 HD2 TYR 25 HD2 TYR 25 83.838 9.375 4.397 102 HE1 TYR 25 HE1 TYR 25 80.875 10.446 0.618 103 HE2 TYR 25 HE2 TYR 25 83.838 11.644 3.444 104 HH TYR 25 HH TYR 25 83.253 12.793 1.424 105 H TRP 26 HN TRP 26 83.433 4.397 4.382 106 HA TRP 26 HA TRP 26 86.339 4.801 4.196 107 1HB TRP 26 HB2 TRP 26 85.193 5.043 6.435 108 2HB TRP 26 HB1 TRP 26 84.819 3.324 6.353 109 HD1 TRP 26 HD1 TRP 26 86.908 1.610 6.535 110 HE1 TRP 26 HE1 TRP 26 89.239 1.895 7.589 111 HE3 TRP 26 HE3 TRP 26 87.026 6.709 6.877 112 HZ2 TRP 26 HZ2 TRP 26 90.905 4.002 8.454 113 HZ3 TRP 26 HZ3 TRP 26 89.025 7.781 7.830 114 HH2 TRP 26 HH2 TRP 26 90.924 6.454 8.604 115 H GLU 27 HN GLU 27 83.822 2.614 3.407 116 HA GLU 27 HA GLU 27 85.224 0.168 3.569 117 1HB GLU 27 HB2 GLU 27 82.713 0.545 3.202 118 2HB GLU 27 HB1 GLU 27 83.113 0.793 1.508 119 1HG GLU 27 HG2 GLU 27 84.325 -1.624 2.480 120 2HG GLU 27 HG1 GLU 27 82.593 -1.622 2.806 121 H SER 28 HN SER 28 84.854 2.525 0.946 122 HA SER 28 HA SER 28 86.392 1.046 -0.932 123 1HB SER 28 HB2 SER 28 85.173 2.587 -2.078 124 2HB SER 28 HB1 SER 28 85.241 3.778 -0.782 125 HG SER 28 HG SER 28 86.533 4.002 -2.918 126 H ALA 29 HN ALA 29 87.104 3.515 1.465 127 HA ALA 29 HA ALA 29 89.794 3.965 0.726 128 1HB ALA 29 HB1 ALA 29 90.056 4.922 2.961 129 2HB ALA 29 HB2 ALA 29 88.507 4.231 3.446 130 3HB ALA 29 HB3 ALA 29 88.564 5.487 2.209 131 H LYS 30 HN LYS 30 88.149 1.573 2.666 132 HA LYS 30 HA LYS 30 90.572 0.395 3.693 133 1HB LYS 30 HB2 LYS 30 87.858 0.271 4.357 134 2HB LYS 30 HB1 LYS 30 88.244 -1.338 3.764 135 1HG LYS 30 HG2 LYS 30 90.351 -0.885 5.400 136 2HG LYS 30 HG1 LYS 30 89.080 0.019 6.226 137 1HD LYS 30 HD2 LYS 30 87.728 -2.226 5.704 138 2HD LYS 30 HD1 LYS 30 89.358 -2.896 5.772 139 1HE LYS 30 HE2 LYS 30 89.653 -2.285 7.992 140 2HE LYS 30 HE1 LYS 30 88.384 -1.064 7.928 141 1HZ LYS 30 HZ1 LYS 30 88.175 -3.702 8.793 142 2HZ LYS 30 HZ2 LYS 30 87.266 -3.585 7.371 143 3HZ LYS 30 HZ3 LYS 30 86.942 -2.552 8.669 144 H THR 31 HN THR 31 88.492 0.028 0.936 145 HA THR 31 HA THR 31 89.422 -2.561 0.159 146 HB THR 31 HB THR 31 87.979 -0.374 -1.340 147 HG1 THR 31 HG1 THR 31 86.767 -1.363 0.305 148 1HG2 THR 31 HG21 THR 31 89.273 -1.994 -2.800 149 2HG2 THR 31 HG22 THR 31 87.548 -1.812 -3.113 150 3HG2 THR 31 HG23 THR 31 88.141 -3.221 -2.233 151 H ALA 32 HN ALA 32 89.950 0.722 -1.127 152 HA ALA 32 HA ALA 32 91.913 0.083 -2.997 153 1HB ALA 32 HB1 ALA 32 90.647 2.331 -2.474 154 2HB ALA 32 HB2 ALA 32 92.230 2.343 -3.250 155 3HB ALA 32 HB3 ALA 32 92.093 2.666 -1.522 156 H ALA 33 HN ALA 33 92.029 0.298 0.435 157 HA ALA 33 HA ALA 33 94.882 0.565 0.649 158 1HB ALA 33 HB1 ALA 33 94.372 1.054 2.755 159 2HB ALA 33 HB2 ALA 33 93.748 -0.577 3.008 160 3HB ALA 33 HB3 ALA 33 92.679 0.694 2.418 161 H GLN 34 HN GLN 34 92.525 -2.058 0.657 162 HA GLN 34 HA GLN 34 94.175 -4.146 1.498 163 1HB GLN 34 HB2 GLN 34 91.573 -3.889 0.471 164 2HB GLN 34 HB1 GLN 34 92.388 -5.010 -0.610 165 1HG GLN 34 HG2 GLN 34 91.402 -6.351 1.028 166 2HG GLN 34 HG1 GLN 34 93.105 -6.265 1.478 167 1HE2 GLN 34 HE21 GLN 34 90.129 -6.270 2.720 168 2HE2 GLN 34 HE22 GLN 34 90.374 -5.322 4.144 169 H ASN 35 HN ASN 35 93.744 -2.697 -1.688 170 HA ASN 35 HA ASN 35 95.366 -4.554 -3.083 171 1HB ASN 35 HB2 ASN 35 93.657 -2.471 -3.714 172 2HB ASN 35 HB1 ASN 35 95.233 -1.871 -4.218 173 1HD2 ASN 35 HD21 ASN 35 92.607 -3.791 -5.031 174 2HD2 ASN 35 HD22 ASN 35 93.278 -4.575 -6.416 175 H LEU 36 HN LEU 36 95.935 -1.229 -1.937 176 HA LEU 36 HA LEU 36 98.633 -1.103 -2.703 177 1HB LEU 36 HB2 LEU 36 96.663 0.541 -1.612 178 2HB LEU 36 HB1 LEU 36 97.965 0.555 -0.444 179 HG LEU 36 HG LEU 36 98.866 0.940 -3.209 180 1HD1 LEU 36 HD11 LEU 36 96.587 2.098 -3.070 181 2HD1 LEU 36 HD12 LEU 36 97.966 3.054 -3.614 182 3HD1 LEU 36 HD13 LEU 36 97.374 3.221 -1.961 183 1HD2 LEU 36 HD21 LEU 36 100.231 1.203 -1.123 184 2HD2 LEU 36 HD22 LEU 36 99.276 2.641 -0.758 185 3HD2 LEU 36 HD23 LEU 36 100.267 2.585 -2.216 186 H TYR 37 HN TYR 37 97.079 -2.500 0.077 187 HA TYR 37 HA TYR 37 99.687 -2.715 1.413 188 1HB TYR 37 HB2 TYR 37 96.943 -2.390 2.402 189 2HB TYR 37 HB1 TYR 37 97.905 -3.562 3.292 190 HD1 TYR 37 HD1 TYR 37 97.878 -0.034 2.122 191 HD2 TYR 37 HD2 TYR 37 99.489 -2.855 4.867 192 HE1 TYR 37 HE1 TYR 37 98.950 1.798 3.364 193 HE2 TYR 37 HE2 TYR 37 100.567 -1.032 6.118 194 HH TYR 37 HH TYR 37 101.292 1.233 5.814 195 H GLU 38 HN GLU 38 97.672 -4.562 -0.478 196 HA GLU 38 HA GLU 38 98.920 -6.996 0.567 197 1HB GLU 38 HB2 GLU 38 96.180 -6.407 0.852 198 2HB GLU 38 HB1 GLU 38 96.294 -7.655 -0.383 199 1HG GLU 38 HG2 GLU 38 97.354 -7.760 2.427 200 2HG GLU 38 HG1 GLU 38 96.026 -8.699 1.746 201 H LYS 39 HN LYS 39 97.368 -5.385 -2.159 202 HA LYS 39 HA LYS 39 98.080 -7.545 -3.960 203 1HB LYS 39 HB2 LYS 39 96.726 -4.885 -4.351 204 2HB LYS 39 HB1 LYS 39 97.195 -5.893 -5.710 205 1HG LYS 39 HG2 LYS 39 95.724 -7.415 -3.748 206 2HG LYS 39 HG1 LYS 39 94.814 -6.000 -4.281 207 1HD LYS 39 HD2 LYS 39 95.687 -6.857 -6.658 208 2HD LYS 39 HD1 LYS 39 95.667 -8.399 -5.798 209 1HE LYS 39 HE2 LYS 39 93.266 -7.303 -5.079 210 2HE LYS 39 HE1 LYS 39 93.452 -6.733 -6.738 211 1HZ LYS 39 HZ1 LYS 39 93.675 -9.570 -5.885 212 2HZ LYS 39 HZ2 LYS 39 93.738 -8.991 -7.474 213 3HZ LYS 39 HZ3 LYS 39 92.301 -8.877 -6.590 214 H THR 40 HN THR 40 98.922 -4.110 -3.625 215 HA THR 40 HA THR 40 101.112 -4.362 -5.483 216 HB THR 40 HB THR 40 100.148 -2.041 -3.810 217 HG1 THR 40 HG1 THR 40 98.792 -1.708 -5.360 218 1HG2 THR 40 HG21 THR 40 101.367 -0.645 -5.452 219 2HG2 THR 40 HG22 THR 40 102.139 -2.112 -6.055 220 3HG2 THR 40 HG23 THR 40 102.408 -1.593 -4.390 221 H TYR 41 HN TYR 41 100.692 -4.856 -2.170 222 HA TYR 41 HA TYR 41 103.088 -3.836 -1.132 223 1HB TYR 41 HB2 TYR 41 100.855 -5.177 -0.148 224 2HB TYR 41 HB1 TYR 41 102.199 -6.256 0.200 225 HD1 TYR 41 HD1 TYR 41 102.451 -6.058 2.520 226 HD2 TYR 41 HD2 TYR 41 102.204 -2.540 0.140 227 HE1 TYR 41 HE1 TYR 41 103.041 -4.697 4.481 228 HE2 TYR 41 HE2 TYR 41 102.793 -1.169 2.096 229 HH TYR 41 HH TYR 41 102.505 -1.599 4.797 230 H LEU 42 HN LEU 42 102.437 -7.307 -1.341 231 HA LEU 42 HA LEU 42 105.240 -7.681 -2.139 232 1HB LEU 42 HB2 LEU 42 103.549 -9.850 -0.952 233 2HB LEU 42 HB1 LEU 42 105.295 -9.701 -0.978 234 HG LEU 42 HG LEU 42 104.487 -7.480 0.466 235 1HD1 LEU 42 HD11 LEU 42 102.221 -8.319 0.636 236 2HD1 LEU 42 HD12 LEU 42 103.015 -8.378 2.210 237 3HD1 LEU 42 HD13 LEU 42 102.815 -9.856 1.267 238 1HD2 LEU 42 HD21 LEU 42 105.546 -8.558 2.313 239 2HD2 LEU 42 HD22 LEU 42 106.408 -9.024 0.848 240 3HD2 LEU 42 HD23 LEU 42 105.282 -10.151 1.605 241 HA PRO 43 HA PRO 43 102.768 -10.780 -4.906 242 1HB PRO 43 HB2 PRO 43 99.995 -9.856 -4.850 243 2HB PRO 43 HB1 PRO 43 100.641 -11.472 -4.552 244 1HG PRO 43 HG2 PRO 43 99.581 -9.947 -2.590 245 2HG PRO 43 HG1 PRO 43 100.897 -11.098 -2.299 246 1HD PRO 43 HD2 PRO 43 101.022 -8.122 -2.635 247 2HD PRO 43 HD1 PRO 43 101.884 -9.165 -1.485 248 H ALA 44 HN ALA 44 103.904 -8.304 -5.545 249 HA ALA 44 HA ALA 44 102.876 -7.909 -8.154 250 1HB ALA 44 HB1 ALA 44 102.401 -5.664 -6.205 251 2HB ALA 44 HB2 ALA 44 101.164 -6.655 -6.981 252 3HB ALA 44 HB3 ALA 44 102.168 -5.579 -7.951 253 H VAL 45 HN VAL 45 105.425 -8.251 -6.491 254 HA VAL 45 HA VAL 45 107.004 -6.422 -8.088 255 HB VAL 45 HB VAL 45 107.158 -6.485 -5.072 256 1HG1 VAL 45 HG11 VAL 45 109.214 -5.575 -5.092 257 2HG1 VAL 45 HG12 VAL 45 108.877 -4.595 -6.518 258 3HG1 VAL 45 HG13 VAL 45 109.330 -6.288 -6.699 259 1HG2 VAL 45 HG21 VAL 45 105.413 -5.035 -5.849 260 2HG2 VAL 45 HG22 VAL 45 106.498 -4.283 -7.018 261 3HG2 VAL 45 HG23 VAL 45 106.762 -4.045 -5.291 262 H ASP 46 HN ASP 46 108.157 -8.046 -5.212 263 HA ASP 46 HA ASP 46 109.719 -9.632 -4.882 264 1HB ASP 46 HB2 ASP 46 108.150 -10.935 -7.106 265 2HB ASP 46 HB1 ASP 46 109.335 -11.766 -6.104 266 H GLU 47 HN GLU 47 111.543 -8.550 -5.428 267 HA GLU 47 HA GLU 47 113.534 -8.207 -6.459 268 1HB GLU 47 HB2 GLU 47 112.855 -10.883 -6.846 269 2HB GLU 47 HB1 GLU 47 113.419 -10.330 -8.416 270 1HG GLU 47 HG2 GLU 47 115.375 -11.041 -7.481 271 2HG GLU 47 HG1 GLU 47 115.396 -9.337 -7.030 272 H LYS 48 HN LYS 48 111.709 -9.559 -9.204 273 HA LYS 48 HA LYS 48 112.747 -8.136 -11.246 274 1HB LYS 48 HB2 LYS 48 109.964 -9.116 -10.741 275 2HB LYS 48 HB1 LYS 48 110.281 -8.149 -12.174 276 1HG LYS 48 HG2 LYS 48 111.036 -9.938 -13.232 277 2HG LYS 48 HG1 LYS 48 112.285 -10.154 -12.004 278 1HD LYS 48 HD2 LYS 48 111.223 -12.129 -11.692 279 2HD LYS 48 HD1 LYS 48 110.168 -11.143 -10.677 280 1HE LYS 48 HE2 LYS 48 108.460 -11.158 -12.200 281 2HE LYS 48 HE1 LYS 48 109.545 -11.337 -13.578 282 1HZ LYS 48 HZ1 LYS 48 109.923 -13.652 -12.283 283 2HZ LYS 48 HZ2 LYS 48 108.817 -13.441 -13.544 284 3HZ LYS 48 HZ3 LYS 48 108.292 -13.362 -11.939 285 H LEU 49 HN LEU 49 110.473 -7.002 -8.880 286 HA LEU 49 HA LEU 49 110.592 -4.305 -10.063 287 1HB LEU 49 HB2 LEU 49 108.477 -5.777 -8.577 288 2HB LEU 49 HB1 LEU 49 108.510 -4.027 -8.502 289 HG LEU 49 HG LEU 49 108.716 -5.032 -11.229 290 1HD1 LEU 49 HD11 LEU 49 106.481 -5.868 -11.466 291 2HD1 LEU 49 HD12 LEU 49 106.154 -5.600 -9.755 292 3HD1 LEU 49 HD13 LEU 49 107.320 -6.827 -10.246 293 1HD2 LEU 49 HD21 LEU 49 107.916 -2.729 -9.955 294 2HD2 LEU 49 HD22 LEU 49 106.395 -3.430 -10.509 295 3HD2 LEU 49 HD23 LEU 49 107.687 -3.101 -11.663 296 H ARG 50 HN ARG 50 111.291 -6.263 -7.284 297 HA ARG 50 HA ARG 50 111.605 -3.975 -5.527 298 1HB ARG 50 HB2 ARG 50 110.933 -6.529 -5.018 299 2HB ARG 50 HB1 ARG 50 112.667 -6.635 -4.752 300 1HG ARG 50 HG2 ARG 50 112.189 -4.463 -3.300 301 2HG ARG 50 HG1 ARG 50 110.590 -5.205 -3.200 302 1HD ARG 50 HD2 ARG 50 113.114 -6.733 -2.618 303 2HD ARG 50 HD1 ARG 50 112.269 -5.806 -1.378 304 HE ARG 50 HE ARG 50 110.463 -7.541 -2.681 305 1HH1 ARG 50 HH11 ARG 50 113.119 -7.590 -0.418 306 2HH1 ARG 50 HH12 ARG 50 112.577 -9.026 0.382 307 1HH2 ARG 50 HH21 ARG 50 109.749 -9.435 -1.628 308 2HH2 ARG 50 HH22 ARG 50 110.665 -10.073 -0.304 309 H ASP 51 HN ASP 51 113.368 -4.869 -8.031 310 HA ASP 51 HA ASP 51 115.972 -4.642 -6.699 311 1HB ASP 51 HB2 ASP 51 115.026 -5.920 -9.179 312 2HB ASP 51 HB1 ASP 51 116.557 -5.064 -9.335 313 H LEU 52 HN LEU 52 113.953 -3.137 -9.179 314 HA LEU 52 HA LEU 52 115.767 -1.259 -10.141 315 1HB LEU 52 HB2 LEU 52 113.840 0.070 -10.816 316 2HB LEU 52 HB1 LEU 52 113.606 -1.628 -11.181 317 HG LEU 52 HG LEU 52 112.498 -1.102 -8.598 318 1HD1 LEU 52 HD11 LEU 52 111.942 0.946 -10.684 319 2HD1 LEU 52 HD12 LEU 52 112.057 1.117 -8.932 320 3HD1 LEU 52 HD13 LEU 52 110.617 0.399 -9.655 321 1HD2 LEU 52 HD21 LEU 52 111.101 -1.667 -11.207 322 2HD2 LEU 52 HD22 LEU 52 110.520 -2.019 -9.579 323 3HD2 LEU 52 HD23 LEU 52 111.908 -2.894 -10.230 324 H TYR 53 HN TYR 53 114.128 -1.389 -7.105 325 HA TYR 53 HA TYR 53 114.855 1.388 -6.456 326 1HB TYR 53 HB2 TYR 53 112.564 0.087 -5.955 327 2HB TYR 53 HB1 TYR 53 113.446 -0.341 -4.492 328 HD1 TYR 53 HD1 TYR 53 114.573 1.647 -3.228 329 HD2 TYR 53 HD2 TYR 53 111.410 2.102 -6.034 330 HE1 TYR 53 HE1 TYR 53 114.047 3.848 -2.266 331 HE2 TYR 53 HE2 TYR 53 110.870 4.304 -5.078 332 HH TYR 53 HH TYR 53 111.783 5.332 -2.187 333 H SER 54 HN SER 54 115.050 -1.844 -4.967 334 HA SER 54 HA SER 54 117.086 -0.963 -3.111 335 1HB SER 54 HB2 SER 54 115.158 -2.676 -2.714 336 2HB SER 54 HB1 SER 54 116.275 -3.830 -3.446 337 HG SER 54 HG SER 54 117.769 -3.346 -1.835 338 H LYS 55 HN LYS 55 117.746 -1.034 -6.004 339 HA LYS 55 HA LYS 55 120.249 -2.486 -5.710 340 1HB LYS 55 HB2 LYS 55 118.220 -3.696 -7.094 341 2HB LYS 55 HB1 LYS 55 119.085 -2.865 -8.380 342 1HG LYS 55 HG2 LYS 55 120.613 -4.498 -6.410 343 2HG LYS 55 HG1 LYS 55 119.715 -5.304 -7.697 344 1HD LYS 55 HD2 LYS 55 121.682 -3.081 -8.205 345 2HD LYS 55 HD1 LYS 55 122.135 -4.788 -8.199 346 1HE LYS 55 HE2 LYS 55 119.980 -3.618 -9.951 347 2HE LYS 55 HE1 LYS 55 121.652 -3.841 -10.463 348 1HZ LYS 55 HZ1 LYS 55 119.874 -5.649 -10.963 349 2HZ LYS 55 HZ2 LYS 55 120.176 -6.134 -9.372 350 3HZ LYS 55 HZ3 LYS 55 121.436 -6.106 -10.499 351 H SER 56 HN SER 56 118.255 -0.235 -7.545 352 HA SER 56 HA SER 56 120.652 0.936 -8.761 353 1HB SER 56 HB2 SER 56 117.770 1.709 -9.242 354 2HB SER 56 HB1 SER 56 119.172 2.131 -10.223 355 HG SER 56 HG SER 56 118.270 -0.524 -9.792 356 H THR 57 HN THR 57 118.241 1.518 -6.338 357 HA THR 57 HA THR 57 119.216 4.259 -5.949 358 HB THR 57 HB THR 57 116.790 2.934 -4.726 359 HG1 THR 57 HG1 THR 57 115.642 4.159 -6.283 360 1HG2 THR 57 HG21 THR 57 116.036 5.113 -4.150 361 2HG2 THR 57 HG22 THR 57 117.408 5.864 -4.966 362 3HG2 THR 57 HG23 THR 57 117.665 4.909 -3.505 363 H ALA 58 HN ALA 58 119.234 1.096 -4.577 364 HA ALA 58 HA ALA 58 120.246 2.124 -2.017 365 1HB ALA 58 HB1 ALA 58 119.874 -0.151 -1.167 366 2HB ALA 58 HB2 ALA 58 119.304 -0.642 -2.761 367 3HB ALA 58 HB3 ALA 58 118.401 0.556 -1.833 368 H ALA 59 HN ALA 59 121.073 -0.005 -4.709 369 HA ALA 59 HA ALA 59 123.654 -0.631 -3.550 370 1HB ALA 59 HB1 ALA 59 123.620 -2.384 -4.911 371 2HB ALA 59 HB2 ALA 59 123.406 -1.359 -6.331 372 3HB ALA 59 HB3 ALA 59 122.004 -1.884 -5.403 373 H MET 60 HN MET 60 122.548 2.105 -4.878 374 HA MET 60 HA MET 60 125.164 2.709 -6.095 375 1HB MET 60 HB2 MET 60 122.502 3.786 -7.033 376 2HB MET 60 HB1 MET 60 124.076 4.153 -7.726 377 1HG MET 60 HG2 MET 60 123.869 1.364 -7.739 378 2HG MET 60 HG1 MET 60 122.303 1.967 -8.274 379 1HE MET 60 HE1 MET 60 125.973 2.302 -8.441 380 2HE MET 60 HE2 MET 60 126.355 3.027 -10.002 381 3HE MET 60 HE3 MET 60 126.073 1.291 -9.882 382 H SER 61 HN SER 61 122.553 3.749 -4.046 383 HA SER 61 HA SER 61 123.898 6.321 -3.592 384 1HB SER 61 HB2 SER 61 121.180 5.634 -3.858 385 2HB SER 61 HB1 SER 61 121.407 6.049 -2.160 386 HG SER 61 HG SER 61 121.997 7.635 -4.434 387 H THR 62 HN THR 62 123.211 3.267 -2.125 388 HA THR 62 HA THR 62 123.823 4.224 0.552 389 HB THR 62 HB THR 62 123.517 1.326 -0.132 390 HG1 THR 62 HG1 THR 62 121.264 1.601 -0.020 391 1HG2 THR 62 HG21 THR 62 122.176 2.687 2.142 392 2HG2 THR 62 HG22 THR 62 123.911 2.386 2.235 393 3HG2 THR 62 HG23 THR 62 122.793 1.040 2.010 394 H TYR 63 HN TYR 63 125.580 3.130 -2.127 395 HA TYR 63 HA TYR 63 127.618 1.654 -0.829 396 1HB TYR 63 HB2 TYR 63 126.925 2.394 -3.433 397 2HB TYR 63 HB1 TYR 63 128.518 3.081 -3.158 398 HD1 TYR 63 HD1 TYR 63 126.825 0.254 -4.283 399 HD2 TYR 63 HD2 TYR 63 130.222 1.373 -1.983 400 HE1 TYR 63 HE1 TYR 63 127.830 -1.947 -4.713 401 HE2 TYR 63 HE2 TYR 63 131.241 -0.825 -2.409 402 HH TYR 63 HH TYR 63 130.354 -2.836 -4.764 403 H THR 64 HN THR 64 126.978 5.025 -1.330 404 HA THR 64 HA THR 64 129.486 6.151 -0.976 405 HB THR 64 HB THR 64 127.050 7.370 0.286 406 HG1 THR 64 HG1 THR 64 127.591 7.169 -2.489 407 1HG2 THR 64 HG21 THR 64 128.948 8.761 0.457 408 2HG2 THR 64 HG22 THR 64 127.956 9.414 -0.846 409 3HG2 THR 64 HG23 THR 64 129.399 8.471 -1.223 410 H GLY 65 HN GLY 65 127.450 4.519 1.231 411 1HA GLY 65 HA2 GLY 65 128.766 5.516 3.611 412 2HA GLY 65 HA1 GLY 65 127.529 4.268 3.544 413 H ILE 66 HN ILE 66 129.168 2.929 1.353 414 HA ILE 66 HA ILE 66 130.949 1.491 3.180 415 HB ILE 66 HB ILE 66 129.927 0.692 0.453 416 1HG1 ILE 66 HG12 ILE 66 128.845 -1.129 2.034 417 2HG1 ILE 66 HG11 ILE 66 129.024 0.135 3.247 418 1HG2 ILE 66 HG21 ILE 66 130.873 -1.504 0.934 419 2HG2 ILE 66 HG22 ILE 66 131.526 -0.896 2.455 420 3HG2 ILE 66 HG23 ILE 66 132.123 -0.260 0.922 421 1HD1 ILE 66 HD11 ILE 66 127.498 0.335 0.664 422 2HD1 ILE 66 HD12 ILE 66 127.727 1.651 1.813 423 3HD1 ILE 66 HD13 ILE 66 126.821 0.216 2.288 424 H PHE 67 HN PHE 67 130.926 3.572 0.467 425 HA PHE 67 HA PHE 67 133.393 2.961 -0.717 426 1HB PHE 67 HB2 PHE 67 131.315 4.678 -1.196 427 2HB PHE 67 HB1 PHE 67 132.603 5.783 -0.740 428 HD1 PHE 67 HD1 PHE 67 133.958 6.583 -2.419 429 HD2 PHE 67 HD2 PHE 67 132.092 2.788 -2.901 430 HE1 PHE 67 HE1 PHE 67 134.906 6.409 -4.683 431 HE2 PHE 67 HE2 PHE 67 133.038 2.606 -5.165 432 HZ PHE 67 HZ PHE 67 134.447 4.419 -6.059 433 H THR 68 HN THR 68 132.516 5.346 1.741 434 HA THR 68 HA THR 68 135.263 6.136 2.144 435 HB THR 68 HB THR 68 133.402 6.997 4.209 436 HG1 THR 68 HG1 THR 68 131.829 7.764 3.026 437 1HG2 THR 68 HG21 THR 68 134.672 8.680 2.081 438 2HG2 THR 68 HG22 THR 68 135.560 8.097 3.489 439 3HG2 THR 68 HG23 THR 68 134.161 9.151 3.703 440 H ASP 69 HN ASP 69 132.993 3.929 3.583 441 HA ASP 69 HA ASP 69 134.048 3.638 6.133 442 1HB ASP 69 HB2 ASP 69 132.400 2.001 4.328 443 2HB ASP 69 HB1 ASP 69 133.282 1.085 5.545 444 H GLN 70 HN GLN 70 135.286 2.566 3.086 445 HA GLN 70 HA GLN 70 137.283 0.879 4.382 446 1HB GLN 70 HB2 GLN 70 135.918 0.448 2.109 447 2HB GLN 70 HB1 GLN 70 137.324 1.264 1.442 448 1HG GLN 70 HG2 GLN 70 137.763 -1.054 1.355 449 2HG GLN 70 HG1 GLN 70 138.749 -0.397 2.661 450 1HE2 GLN 70 HE21 GLN 70 138.875 -1.825 4.232 451 2HE2 GLN 70 HE22 GLN 70 137.571 -2.768 4.861 452 H VAL 71 HN VAL 71 137.080 3.971 4.243 453 HA VAL 71 HA VAL 71 139.798 4.477 3.214 454 HB VAL 71 HB VAL 71 137.556 6.422 3.755 455 1HG1 VAL 71 HG11 VAL 71 140.401 6.795 3.357 456 2HG1 VAL 71 HG12 VAL 71 139.171 7.961 3.840 457 3HG1 VAL 71 HG13 VAL 71 139.459 7.642 2.130 458 1HG2 VAL 71 HG21 VAL 71 138.663 5.368 1.156 459 2HG2 VAL 71 HG22 VAL 71 137.520 6.704 1.296 460 3HG2 VAL 71 HG23 VAL 71 137.054 5.086 1.817 461 H LEU 72 HN LEU 72 137.576 5.539 5.768 462 HA LEU 72 HA LEU 72 139.634 6.595 7.409 463 1HB LEU 72 HB2 LEU 72 137.328 5.768 8.946 464 2HB LEU 72 HB1 LEU 72 137.949 7.378 8.654 465 HG LEU 72 HG LEU 72 136.104 5.885 6.788 466 1HD1 LEU 72 HD11 LEU 72 135.242 8.298 8.275 467 2HD1 LEU 72 HD12 LEU 72 135.337 6.780 9.169 468 3HD1 LEU 72 HD13 LEU 72 134.312 6.898 7.740 469 1HD2 LEU 72 HD21 LEU 72 136.011 8.644 6.337 470 2HD2 LEU 72 HD22 LEU 72 136.722 7.412 5.295 471 3HD2 LEU 72 HD23 LEU 72 137.724 8.248 6.481 472 H SER 73 HN SER 73 137.968 3.513 7.227 473 HA SER 73 HA SER 73 139.159 2.390 9.565 474 1HB SER 73 HB2 SER 73 137.926 0.514 9.098 475 2HB SER 73 HB1 SER 73 137.038 1.672 8.113 476 HG SER 73 HG SER 73 138.405 -0.508 7.335 477 H VAL 74 HN VAL 74 140.230 2.929 6.392 478 HA VAL 74 HA VAL 74 142.387 0.956 6.675 479 HB VAL 74 HB VAL 74 141.584 2.508 4.217 480 1HG1 VAL 74 HG11 VAL 74 143.888 0.933 4.849 481 2HG1 VAL 74 HG12 VAL 74 143.502 1.778 3.351 482 3HG1 VAL 74 HG13 VAL 74 142.958 0.118 3.593 483 1HG2 VAL 74 HG21 VAL 74 141.005 -0.373 4.901 484 2HG2 VAL 74 HG22 VAL 74 140.525 0.481 3.435 485 3HG2 VAL 74 HG23 VAL 74 139.832 0.941 4.992 486 H LEU 75 HN LEU 75 141.688 4.332 6.769 487 HA LEU 75 HA LEU 75 144.542 4.965 6.394 488 1HB LEU 75 HB2 LEU 75 143.956 7.157 5.925 489 2HB LEU 75 HB1 LEU 75 142.658 6.232 5.195 490 HG LEU 75 HG LEU 75 141.489 6.689 7.523 491 1HD1 LEU 75 HD11 LEU 75 142.087 9.138 8.088 492 2HD1 LEU 75 HD12 LEU 75 143.624 8.777 7.302 493 3HD1 LEU 75 HD13 LEU 75 143.116 7.849 8.711 494 1HD2 LEU 75 HD21 LEU 75 140.770 8.972 6.417 495 2HD2 LEU 75 HD22 LEU 75 140.306 7.426 5.709 496 3HD2 LEU 75 HD23 LEU 75 141.670 8.326 5.046 497 H LYS 76 HN LYS 76 141.896 5.324 8.724 498 HA LYS 76 HA LYS 76 143.911 5.881 10.800 499 1HB LYS 76 HB2 LYS 76 141.486 7.263 10.016 500 2HB LYS 76 HB1 LYS 76 141.487 6.852 11.724 501 1HG LYS 76 HG2 LYS 76 144.034 7.942 10.932 502 2HG LYS 76 HG1 LYS 76 142.719 9.038 10.512 503 1HD LYS 76 HD2 LYS 76 142.106 8.143 13.078 504 2HD LYS 76 HD1 LYS 76 143.849 8.412 13.102 505 1HE LYS 76 HE2 LYS 76 143.193 10.649 11.894 506 2HE LYS 76 HE1 LYS 76 141.628 10.349 12.650 507 1HZ LYS 76 HZ1 LYS 76 142.596 11.483 14.325 508 2HZ LYS 76 HZ2 LYS 76 144.171 11.074 13.865 509 3HZ LYS 76 HZ3 LYS 76 143.227 9.963 14.723 510 H GLY 77 HN GLY 77 141.741 3.656 9.663 511 1HA GLY 77 HA2 GLY 77 140.851 1.744 10.573 512 2HA GLY 77 HA1 GLY 77 141.862 2.036 11.984 513 H GLU 78 HN GLU 78 139.383 4.115 10.589 514 HA GLU 78 HA GLU 78 137.908 3.908 13.136 515 1HB GLU 78 HB2 GLU 78 139.023 6.131 12.501 516 2HB GLU 78 HB1 GLU 78 137.777 6.266 11.267 517 1HG GLU 78 HG2 GLU 78 136.075 6.035 13.088 518 2HG GLU 78 HG1 GLU 78 137.400 6.150 14.246 519 H GLU 79 HN GLU 79 137.678 3.946 9.651 520 HA GLU 79 HA GLU 79 136.039 3.264 8.225 521 1HB GLU 79 HB2 GLU 79 135.967 1.303 9.749 522 2HB GLU 79 HB1 GLU 79 134.731 2.118 10.695 523 1HG GLU 79 HG2 GLU 79 133.205 2.069 8.840 524 2HG GLU 79 HG1 GLU 79 134.451 1.395 7.791 Start of MODEL 17 1 H THR 13 H THR 13 106.072 4.892 22.544 2 HA THR 13 HA THR 13 104.351 6.330 21.979 3 HB THR 13 HB THR 13 103.479 5.951 19.496 4 HG1 THR 13 HG1 THR 13 106.273 5.580 19.224 5 1HG2 THR 13 HG21 THR 13 105.784 7.673 19.268 6 2HG2 THR 13 HG22 THR 13 104.873 7.983 20.746 7 3HG2 THR 13 HG23 THR 13 104.066 8.061 19.180 8 H PHE 14 HN PHE 14 102.084 5.581 20.903 9 HA PHE 14 HA PHE 14 101.621 2.754 20.915 10 1HB PHE 14 HB2 PHE 14 101.722 3.884 23.431 11 2HB PHE 14 HB1 PHE 14 100.003 3.938 23.060 12 HD1 PHE 14 HD1 PHE 14 102.910 1.617 23.033 13 HD2 PHE 14 HD2 PHE 14 98.696 2.070 23.420 14 HE1 PHE 14 HE1 PHE 14 102.709 -0.769 23.601 15 HE2 PHE 14 HE2 PHE 14 98.489 -0.314 23.991 16 HZ PHE 14 HZ PHE 14 100.497 -1.737 24.081 17 H LEU 15 HN LEU 15 100.122 5.939 21.417 18 HA LEU 15 HA LEU 15 97.591 5.285 20.379 19 1HB LEU 15 HB2 LEU 15 98.895 7.997 20.218 20 2HB LEU 15 HB1 LEU 15 97.180 7.637 20.274 21 HG LEU 15 HG LEU 15 98.876 6.812 22.587 22 1HD1 LEU 15 HD11 LEU 15 99.568 9.114 22.121 23 2HD1 LEU 15 HD12 LEU 15 98.637 8.997 23.614 24 3HD1 LEU 15 HD13 LEU 15 97.880 9.622 22.148 25 1HD2 LEU 15 HD21 LEU 15 96.059 7.153 21.950 26 2HD2 LEU 15 HD22 LEU 15 96.516 7.946 23.457 27 3HD2 LEU 15 HD23 LEU 15 96.826 6.224 23.238 28 H THR 16 HN THR 16 100.611 5.763 18.843 29 HA THR 16 HA THR 16 100.013 6.812 16.376 30 HB THR 16 HB THR 16 101.927 4.566 17.037 31 HG1 THR 16 HG1 THR 16 102.220 6.626 18.108 32 1HG2 THR 16 HG21 THR 16 101.744 6.299 14.593 33 2HG2 THR 16 HG22 THR 16 101.728 4.538 14.684 34 3HG2 THR 16 HG23 THR 16 103.203 5.426 15.061 35 H GLN 17 HN GLN 17 99.107 3.718 17.661 36 HA GLN 17 HA GLN 17 98.731 2.127 15.478 37 1HB GLN 17 HB2 GLN 17 98.109 1.790 18.002 38 2HB GLN 17 HB1 GLN 17 96.519 2.335 17.486 39 1HG GLN 17 HG2 GLN 17 97.574 0.297 15.726 40 2HG GLN 17 HG1 GLN 17 97.503 -0.250 17.401 41 1HE2 GLN 17 HE21 GLN 17 95.737 0.487 14.579 42 2HE2 GLN 17 HE22 GLN 17 94.161 0.143 15.195 43 H VAL 18 HN VAL 18 96.594 4.720 16.591 44 HA VAL 18 HA VAL 18 94.578 4.342 14.643 45 HB VAL 18 HB VAL 18 95.282 6.932 16.023 46 1HG1 VAL 18 HG11 VAL 18 93.374 6.346 14.078 47 2HG1 VAL 18 HG12 VAL 18 93.445 7.782 15.100 48 3HG1 VAL 18 HG13 VAL 18 92.477 6.394 15.596 49 1HG2 VAL 18 HG21 VAL 18 93.122 5.666 17.319 50 2HG2 VAL 18 HG22 VAL 18 94.734 5.987 17.958 51 3HG2 VAL 18 HG23 VAL 18 94.394 4.456 17.154 52 H LYS 19 HN LYS 19 97.534 6.251 14.707 53 HA LYS 19 HA LYS 19 97.078 7.811 12.413 54 1HB LYS 19 HB2 LYS 19 99.033 7.690 14.285 55 2HB LYS 19 HB1 LYS 19 99.842 6.914 12.931 56 1HG LYS 19 HG2 LYS 19 100.426 9.140 12.685 57 2HG LYS 19 HG1 LYS 19 99.064 8.965 11.577 58 1HD LYS 19 HD2 LYS 19 98.616 10.953 12.728 59 2HD LYS 19 HD1 LYS 19 97.613 9.748 13.539 60 1HE LYS 19 HE2 LYS 19 99.270 9.529 15.305 61 2HE LYS 19 HE1 LYS 19 100.325 10.674 14.480 62 1HZ LYS 19 HZ1 LYS 19 97.824 11.879 14.803 63 2HZ LYS 19 HZ2 LYS 19 99.292 12.309 15.524 64 3HZ LYS 19 HZ3 LYS 19 98.262 11.211 16.295 65 H GLU 20 HN GLU 20 99.092 4.905 12.781 66 HA GLU 20 HA GLU 20 99.568 4.483 10.060 67 1HB GLU 20 HB2 GLU 20 99.425 2.481 12.321 68 2HB GLU 20 HB1 GLU 20 100.057 2.125 10.720 69 1HG GLU 20 HG2 GLU 20 101.346 4.458 11.737 70 2HG GLU 20 HG1 GLU 20 101.425 3.175 12.943 71 H SER 21 HN SER 21 96.755 3.985 11.961 72 HA SER 21 HA SER 21 95.514 2.026 10.282 73 1HB SER 21 HB2 SER 21 95.074 3.121 12.807 74 2HB SER 21 HB1 SER 21 93.695 3.657 11.853 75 HG SER 21 HG SER 21 93.656 1.477 12.963 76 H LEU 22 HN LEU 22 94.884 5.485 10.883 77 HA LEU 22 HA LEU 22 93.032 5.794 8.787 78 1HB LEU 22 HB2 LEU 22 94.817 7.953 9.904 79 2HB LEU 22 HB1 LEU 22 93.256 8.157 9.132 80 HG LEU 22 HG LEU 22 93.304 6.486 11.577 81 1HD1 LEU 22 HD11 LEU 22 94.062 8.010 13.001 82 2HD1 LEU 22 HD12 LEU 22 93.017 9.252 12.313 83 3HD1 LEU 22 HD13 LEU 22 94.610 8.956 11.619 84 1HD2 LEU 22 HD21 LEU 22 91.152 6.727 10.944 85 2HD2 LEU 22 HD22 LEU 22 91.460 8.236 10.085 86 3HD2 LEU 22 HD23 LEU 22 91.283 8.240 11.839 87 H SER 23 HN SER 23 96.520 6.028 8.940 88 HA SER 23 HA SER 23 96.917 7.235 6.417 89 1HB SER 23 HB2 SER 23 98.735 5.446 8.046 90 2HB SER 23 HB1 SER 23 99.241 6.333 6.609 91 H SER 24 HN SER 24 96.432 3.939 7.456 92 HA SER 24 HA SER 24 97.202 2.655 5.062 93 1HB SER 24 HB2 SER 24 95.190 1.781 7.138 94 2HB SER 24 HB1 SER 24 95.878 0.753 5.882 95 HG SER 24 HG SER 24 97.695 0.622 6.967 96 H TYR 25 HN TYR 25 94.205 4.107 6.179 97 HA TYR 25 HA TYR 25 92.451 3.175 4.224 98 1HB TYR 25 HB2 TYR 25 92.375 4.872 6.393 99 2HB TYR 25 HB1 TYR 25 92.064 5.959 5.047 100 HD1 TYR 25 HD1 TYR 25 90.930 2.719 6.500 101 HD2 TYR 25 HD2 TYR 25 89.901 6.142 4.194 102 HE1 TYR 25 HE1 TYR 25 88.586 1.978 6.457 103 HE2 TYR 25 HE2 TYR 25 87.554 5.411 4.145 104 HH TYR 25 HH TYR 25 86.419 2.853 4.413 105 H TRP 26 HN TRP 26 94.771 5.796 4.260 106 HA TRP 26 HA TRP 26 94.041 6.645 1.561 107 1HB TRP 26 HB2 TRP 26 95.688 7.785 3.780 108 2HB TRP 26 HB1 TRP 26 96.052 8.278 2.129 109 HD1 TRP 26 HD1 TRP 26 92.470 7.656 3.380 110 HE1 TRP 26 HE1 TRP 26 91.170 9.873 3.247 111 HE3 TRP 26 HE3 TRP 26 96.309 10.776 2.088 112 HZ2 TRP 26 HZ2 TRP 26 91.700 12.584 2.673 113 HZ3 TRP 26 HZ3 TRP 26 95.827 13.169 1.766 114 HH2 TRP 26 HH2 TRP 26 93.570 14.051 2.054 115 H GLU 27 HN GLU 27 96.285 4.597 3.157 116 HA GLU 27 HA GLU 27 98.492 4.825 1.410 117 1HB GLU 27 HB2 GLU 27 98.002 3.455 3.704 118 2HB GLU 27 HB1 GLU 27 97.959 2.149 2.528 119 1HG GLU 27 HG2 GLU 27 100.219 4.069 3.030 120 2HG GLU 27 HG1 GLU 27 100.175 2.350 3.419 121 H SER 28 HN SER 28 95.613 2.757 1.337 122 HA SER 28 HA SER 28 96.371 1.233 -0.912 123 1HB SER 28 HB2 SER 28 94.602 0.274 0.214 124 2HB SER 28 HB1 SER 28 93.780 1.813 0.468 125 HG SER 28 HG SER 28 93.068 1.771 -1.623 126 H ALA 29 HN ALA 29 94.694 4.307 -0.549 127 HA ALA 29 HA ALA 29 93.937 4.647 -3.243 128 1HB ALA 29 HB1 ALA 29 93.335 6.021 -1.080 129 2HB ALA 29 HB2 ALA 29 93.344 6.796 -2.664 130 3HB ALA 29 HB3 ALA 29 94.717 6.997 -1.577 131 H LYS 30 HN LYS 30 96.879 5.197 -1.458 132 HA LYS 30 HA LYS 30 98.246 6.556 -3.595 133 1HB LYS 30 HB2 LYS 30 98.654 6.459 -0.929 134 2HB LYS 30 HB1 LYS 30 99.801 5.230 -1.445 135 1HG LYS 30 HG2 LYS 30 100.656 6.988 -3.096 136 2HG LYS 30 HG1 LYS 30 99.745 8.147 -2.126 137 1HD LYS 30 HD2 LYS 30 100.989 7.429 -0.130 138 2HD LYS 30 HD1 LYS 30 101.918 6.306 -1.126 139 1HE LYS 30 HE2 LYS 30 102.038 8.873 -2.340 140 2HE LYS 30 HE1 LYS 30 102.404 9.062 -0.626 141 1HZ LYS 30 HZ1 LYS 30 103.956 7.066 -1.020 142 2HZ LYS 30 HZ2 LYS 30 104.450 8.595 -1.548 143 3HZ LYS 30 HZ3 LYS 30 103.832 7.477 -2.657 144 H THR 31 HN THR 31 97.770 3.283 -2.520 145 HA THR 31 HA THR 31 99.942 2.085 -3.895 146 HB THR 31 HB THR 31 97.305 0.990 -2.913 147 HG1 THR 31 HG1 THR 31 98.320 0.821 -1.100 148 1HG2 THR 31 HG21 THR 31 99.418 -0.952 -3.194 149 2HG2 THR 31 HG22 THR 31 98.932 -0.268 -4.745 150 3HG2 THR 31 HG23 THR 31 97.732 -1.027 -3.701 151 H ALA 32 HN ALA 32 96.455 2.235 -4.649 152 HA ALA 32 HA ALA 32 96.599 1.086 -7.189 153 1HB ALA 32 HB1 ALA 32 94.620 2.398 -5.597 154 2HB ALA 32 HB2 ALA 32 94.398 1.283 -6.945 155 3HB ALA 32 HB3 ALA 32 94.537 3.015 -7.248 156 H ALA 33 HN ALA 33 97.511 4.192 -6.049 157 HA ALA 33 HA ALA 33 97.491 5.492 -8.623 158 1HB ALA 33 HB1 ALA 33 98.822 6.362 -6.057 159 2HB ALA 33 HB2 ALA 33 97.164 6.748 -6.520 160 3HB ALA 33 HB3 ALA 33 98.513 7.363 -7.476 161 H GLN 34 HN GLN 34 99.728 3.690 -6.648 162 HA GLN 34 HA GLN 34 102.087 4.436 -8.102 163 1HB GLN 34 HB2 GLN 34 101.394 2.594 -5.900 164 2HB GLN 34 HB1 GLN 34 102.746 2.082 -6.901 165 1HG GLN 34 HG2 GLN 34 103.309 4.724 -6.440 166 2HG GLN 34 HG1 GLN 34 102.577 4.208 -4.921 167 1HE2 GLN 34 HE21 GLN 34 105.419 4.772 -6.087 168 2HE2 GLN 34 HE22 GLN 34 106.357 3.488 -5.412 169 H ASN 35 HN ASN 35 99.966 1.590 -8.039 170 HA ASN 35 HA ASN 35 101.215 -0.055 -9.836 171 1HB ASN 35 HB2 ASN 35 98.850 -0.019 -8.462 172 2HB ASN 35 HB1 ASN 35 98.297 0.077 -10.130 173 1HD2 ASN 35 HD21 ASN 35 98.740 -1.630 -11.543 174 2HD2 ASN 35 HD22 ASN 35 99.182 -3.197 -10.965 175 H LEU 36 HN LEU 36 98.728 2.396 -10.574 176 HA LEU 36 HA LEU 36 98.743 2.058 -13.344 177 1HB LEU 36 HB2 LEU 36 97.375 3.516 -11.465 178 2HB LEU 36 HB1 LEU 36 98.193 4.759 -12.390 179 HG LEU 36 HG LEU 36 97.144 3.187 -14.377 180 1HD1 LEU 36 HD11 LEU 36 95.397 3.020 -11.960 181 2HD1 LEU 36 HD12 LEU 36 95.791 1.777 -13.148 182 3HD1 LEU 36 HD13 LEU 36 94.680 3.080 -13.570 183 1HD2 LEU 36 HD21 LEU 36 96.130 5.654 -13.002 184 2HD2 LEU 36 HD22 LEU 36 95.327 4.984 -14.421 185 3HD2 LEU 36 HD23 LEU 36 97.003 5.520 -14.528 186 H TYR 37 HN TYR 37 100.756 4.028 -11.234 187 HA TYR 37 HA TYR 37 102.029 5.337 -13.524 188 1HB TYR 37 HB2 TYR 37 101.338 6.577 -11.423 189 2HB TYR 37 HB1 TYR 37 102.658 5.747 -10.604 190 HD1 TYR 37 HD1 TYR 37 104.761 6.725 -10.576 191 HD2 TYR 37 HD2 TYR 37 101.996 7.873 -13.596 192 HE1 TYR 37 HE1 TYR 37 106.344 8.434 -11.366 193 HE2 TYR 37 HE2 TYR 37 103.569 9.586 -14.395 194 HH TYR 37 HH TYR 37 105.518 10.933 -13.339 195 H GLU 38 HN GLU 38 102.491 2.475 -11.935 196 HA GLU 38 HA GLU 38 105.324 2.458 -12.693 197 1HB GLU 38 HB2 GLU 38 104.244 2.114 -10.003 198 2HB GLU 38 HB1 GLU 38 105.269 0.776 -10.502 199 1HG GLU 38 HG2 GLU 38 107.095 2.280 -10.945 200 2HG GLU 38 HG1 GLU 38 106.070 3.674 -10.602 201 H LYS 39 HN LYS 39 102.783 0.315 -11.426 202 HA LYS 39 HA LYS 39 103.802 -2.001 -12.684 203 1HB LYS 39 HB2 LYS 39 101.016 -1.408 -11.682 204 2HB LYS 39 HB1 LYS 39 101.604 -3.002 -12.135 205 1HG LYS 39 HG2 LYS 39 102.718 -1.293 -9.920 206 2HG LYS 39 HG1 LYS 39 101.627 -2.663 -9.714 207 1HD LYS 39 HD2 LYS 39 103.835 -3.494 -11.315 208 2HD LYS 39 HD1 LYS 39 104.457 -2.673 -9.882 209 1HE LYS 39 HE2 LYS 39 104.197 -5.067 -9.485 210 2HE LYS 39 HE1 LYS 39 103.116 -4.129 -8.456 211 1HZ LYS 39 HZ1 LYS 39 101.523 -5.459 -9.216 212 2HZ LYS 39 HZ2 LYS 39 102.487 -6.071 -10.462 213 3HZ LYS 39 HZ3 LYS 39 101.633 -4.627 -10.685 214 H THR 40 HN THR 40 100.923 -0.054 -13.499 215 HA THR 40 HA THR 40 100.334 -1.359 -15.894 216 HB THR 40 HB THR 40 99.778 1.536 -15.235 217 HG1 THR 40 HG1 THR 40 97.784 0.619 -14.404 218 1HG2 THR 40 HG21 THR 40 97.918 -0.249 -16.711 219 2HG2 THR 40 HG22 THR 40 99.258 0.510 -17.569 220 3HG2 THR 40 HG23 THR 40 98.061 1.507 -16.742 221 H TYR 41 HN TYR 41 102.805 0.924 -15.144 222 HA TYR 41 HA TYR 41 103.223 2.141 -17.614 223 1HB TYR 41 HB2 TYR 41 104.414 2.272 -15.177 224 2HB TYR 41 HB1 TYR 41 105.645 1.409 -16.095 225 HD1 TYR 41 HD1 TYR 41 105.811 2.555 -18.641 226 HD2 TYR 41 HD2 TYR 41 104.873 4.522 -14.989 227 HE1 TYR 41 HE1 TYR 41 106.611 4.677 -19.587 228 HE2 TYR 41 HE2 TYR 41 105.670 6.653 -15.926 229 HH TYR 41 HH TYR 41 107.079 7.493 -17.659 230 H LEU 42 HN LEU 42 103.866 -1.082 -16.550 231 HA LEU 42 HA LEU 42 105.209 -1.669 -19.112 232 1HB LEU 42 HB2 LEU 42 105.462 -3.350 -16.631 233 2HB LEU 42 HB1 LEU 42 106.468 -3.374 -18.067 234 HG LEU 42 HG LEU 42 106.454 -0.819 -16.594 235 1HD1 LEU 42 HD11 LEU 42 108.154 -2.946 -15.410 236 2HD1 LEU 42 HD12 LEU 42 106.461 -2.863 -14.922 237 3HD1 LEU 42 HD13 LEU 42 107.516 -1.470 -14.687 238 1HD2 LEU 42 HD21 LEU 42 108.872 -2.389 -17.338 239 2HD2 LEU 42 HD22 LEU 42 108.597 -0.647 -17.387 240 3HD2 LEU 42 HD23 LEU 42 107.885 -1.688 -18.621 241 HA PRO 43 HA PRO 43 102.045 -4.618 -19.982 242 1HB PRO 43 HB2 PRO 43 103.850 -6.732 -20.799 243 2HB PRO 43 HB1 PRO 43 102.894 -5.645 -21.807 244 1HG PRO 43 HG2 PRO 43 105.618 -5.564 -21.668 245 2HG PRO 43 HG1 PRO 43 104.613 -4.155 -22.053 246 1HD PRO 43 HD2 PRO 43 105.892 -4.919 -19.452 247 2HD PRO 43 HD1 PRO 43 105.759 -3.319 -20.217 248 H ALA 44 HN ALA 44 103.641 -4.953 -17.267 249 HA ALA 44 HA ALA 44 103.465 -6.271 -15.433 250 1HB ALA 44 HB1 ALA 44 101.327 -7.893 -16.748 251 2HB ALA 44 HB2 ALA 44 101.016 -6.219 -16.287 252 3HB ALA 44 HB3 ALA 44 101.481 -7.398 -15.062 253 H VAL 45 HN VAL 45 105.127 -7.041 -17.798 254 HA VAL 45 HA VAL 45 105.236 -9.961 -17.487 255 HB VAL 45 HB VAL 45 106.802 -8.238 -19.412 256 1HG1 VAL 45 HG11 VAL 45 107.606 -10.151 -20.356 257 2HG1 VAL 45 HG12 VAL 45 106.205 -11.110 -19.876 258 3HG1 VAL 45 HG13 VAL 45 107.443 -10.702 -18.689 259 1HG2 VAL 45 HG21 VAL 45 104.607 -9.909 -20.431 260 2HG2 VAL 45 HG22 VAL 45 105.123 -8.291 -20.911 261 3HG2 VAL 45 HG23 VAL 45 104.110 -8.505 -19.484 262 H ASP 46 HN ASP 46 107.038 -7.028 -16.866 263 HA ASP 46 HA ASP 46 109.497 -8.312 -16.203 264 1HB ASP 46 HB2 ASP 46 108.410 -5.542 -15.724 265 2HB ASP 46 HB1 ASP 46 109.989 -6.041 -15.124 266 H GLU 47 HN GLU 47 106.549 -7.828 -14.517 267 HA GLU 47 HA GLU 47 107.853 -8.284 -11.933 268 1HB GLU 47 HB2 GLU 47 105.572 -7.828 -10.996 269 2HB GLU 47 HB1 GLU 47 106.319 -6.479 -11.833 270 1HG GLU 47 HG2 GLU 47 104.500 -6.278 -13.068 271 2HG GLU 47 HG1 GLU 47 104.814 -7.869 -13.755 272 H LYS 48 HN LYS 48 105.394 -9.663 -14.078 273 HA LYS 48 HA LYS 48 104.605 -11.797 -12.450 274 1HB LYS 48 HB2 LYS 48 104.603 -11.308 -15.401 275 2HB LYS 48 HB1 LYS 48 104.235 -12.922 -14.808 276 1HG LYS 48 HG2 LYS 48 102.508 -11.765 -13.309 277 2HG LYS 48 HG1 LYS 48 102.727 -10.374 -14.371 278 1HD LYS 48 HD2 LYS 48 100.909 -11.528 -15.294 279 2HD LYS 48 HD1 LYS 48 102.284 -12.005 -16.293 280 1HE LYS 48 HE2 LYS 48 101.961 -13.757 -14.011 281 2HE LYS 48 HE1 LYS 48 100.496 -13.691 -14.990 282 1HZ LYS 48 HZ1 LYS 48 103.215 -14.280 -16.032 283 2HZ LYS 48 HZ2 LYS 48 101.780 -14.287 -16.927 284 3HZ LYS 48 HZ3 LYS 48 102.023 -15.439 -15.713 285 H LEU 49 HN LEU 49 107.476 -11.257 -14.289 286 HA LEU 49 HA LEU 49 108.351 -14.029 -13.865 287 1HB LEU 49 HB2 LEU 49 109.081 -11.899 -15.816 288 2HB LEU 49 HB1 LEU 49 110.303 -13.078 -15.378 289 HG LEU 49 HG LEU 49 107.584 -13.832 -16.441 290 1HD1 LEU 49 HD11 LEU 49 110.001 -12.907 -17.824 291 2HD1 LEU 49 HD12 LEU 49 108.325 -12.964 -18.371 292 3HD1 LEU 49 HD13 LEU 49 109.323 -14.416 -18.436 293 1HD2 LEU 49 HD21 LEU 49 108.254 -15.819 -15.652 294 2HD2 LEU 49 HD22 LEU 49 109.926 -15.291 -15.468 295 3HD2 LEU 49 HD23 LEU 49 109.342 -15.833 -17.040 296 H ARG 50 HN ARG 50 108.787 -10.807 -12.743 297 HA ARG 50 HA ARG 50 111.031 -11.736 -11.082 298 1HB ARG 50 HB2 ARG 50 111.674 -10.188 -13.080 299 2HB ARG 50 HB1 ARG 50 110.970 -8.911 -12.096 300 1HG ARG 50 HG2 ARG 50 112.551 -9.284 -10.348 301 2HG ARG 50 HG1 ARG 50 113.163 -10.735 -11.144 302 1HD ARG 50 HD2 ARG 50 114.585 -9.534 -12.360 303 2HD ARG 50 HD1 ARG 50 113.285 -8.492 -12.937 304 HE ARG 50 HE ARG 50 114.054 -6.894 -11.516 305 1HH1 ARG 50 HH11 ARG 50 115.042 -10.001 -10.269 306 2HH1 ARG 50 HH12 ARG 50 115.932 -9.326 -8.947 307 1HH2 ARG 50 HH21 ARG 50 115.225 -6.006 -9.775 308 2HH2 ARG 50 HH22 ARG 50 116.036 -7.060 -8.664 309 H ASP 51 HN ASP 51 109.110 -12.051 -9.679 310 HA ASP 51 HA ASP 51 108.721 -9.649 -8.054 311 1HB ASP 51 HB2 ASP 51 106.595 -11.230 -9.404 312 2HB ASP 51 HB1 ASP 51 106.278 -10.714 -7.752 313 H LEU 52 HN LEU 52 107.941 -13.120 -8.259 314 HA LEU 52 HA LEU 52 107.680 -13.670 -5.568 315 1HB LEU 52 HB2 LEU 52 108.678 -15.971 -6.234 316 2HB LEU 52 HB1 LEU 52 107.152 -15.459 -6.929 317 HG LEU 52 HG LEU 52 109.527 -14.726 -8.508 318 1HD1 LEU 52 HD11 LEU 52 109.635 -17.069 -9.452 319 2HD1 LEU 52 HD12 LEU 52 108.793 -17.595 -7.994 320 3HD1 LEU 52 HD13 LEU 52 110.377 -16.830 -7.870 321 1HD2 LEU 52 HD21 LEU 52 107.760 -14.375 -9.834 322 2HD2 LEU 52 HD22 LEU 52 106.714 -15.421 -8.876 323 3HD2 LEU 52 HD23 LEU 52 107.781 -16.119 -10.092 324 H TYR 53 HN TYR 53 110.589 -13.294 -7.475 325 HA TYR 53 HA TYR 53 112.353 -14.002 -5.270 326 1HB TYR 53 HB2 TYR 53 112.619 -14.261 -7.937 327 2HB TYR 53 HB1 TYR 53 113.412 -12.704 -7.717 328 HD1 TYR 53 HD1 TYR 53 115.506 -12.534 -6.520 329 HD2 TYR 53 HD2 TYR 53 113.545 -16.286 -6.931 330 HE1 TYR 53 HE1 TYR 53 117.543 -13.675 -5.751 331 HE2 TYR 53 HE2 TYR 53 115.578 -17.439 -6.166 332 HH TYR 53 HH TYR 53 117.847 -16.265 -4.520 333 H SER 54 HN SER 54 111.752 -11.146 -7.294 334 HA SER 54 HA SER 54 113.377 -9.422 -5.726 335 1HB SER 54 HB2 SER 54 113.037 -8.980 -8.089 336 2HB SER 54 HB1 SER 54 111.305 -8.779 -7.828 337 HG SER 54 HG SER 54 113.427 -7.101 -7.048 338 H LYS 55 HN LYS 55 110.798 -10.782 -4.584 339 HA LYS 55 HA LYS 55 109.772 -8.338 -3.297 340 1HB LYS 55 HB2 LYS 55 108.372 -10.898 -4.025 341 2HB LYS 55 HB1 LYS 55 107.756 -9.864 -2.745 342 1HG LYS 55 HG2 LYS 55 108.166 -8.091 -4.796 343 2HG LYS 55 HG1 LYS 55 107.614 -9.540 -5.634 344 1HD LYS 55 HD2 LYS 55 105.571 -8.706 -5.155 345 2HD LYS 55 HD1 LYS 55 105.855 -9.477 -3.594 346 1HE LYS 55 HE2 LYS 55 105.634 -7.493 -2.622 347 2HE LYS 55 HE1 LYS 55 107.085 -6.953 -3.464 348 1HZ LYS 55 HZ1 LYS 55 105.085 -5.541 -3.817 349 2HZ LYS 55 HZ2 LYS 55 104.367 -6.830 -4.645 350 3HZ LYS 55 HZ3 LYS 55 105.780 -6.123 -5.246 351 H SER 56 HN SER 56 111.410 -11.289 -2.863 352 HA SER 56 HA SER 56 110.986 -11.185 0.050 353 1HB SER 56 HB2 SER 56 111.654 -13.411 -1.840 354 2HB SER 56 HB1 SER 56 112.161 -13.525 -0.155 355 HG SER 56 HG SER 56 110.023 -13.372 0.474 356 H THR 57 HN THR 57 113.282 -10.738 -2.471 357 HA THR 57 HA THR 57 115.459 -10.583 -0.495 358 HB THR 57 HB THR 57 117.011 -11.140 -2.180 359 HG1 THR 57 HG1 THR 57 116.396 -11.228 -4.387 360 1HG2 THR 57 HG21 THR 57 115.198 -12.923 -3.471 361 2HG2 THR 57 HG22 THR 57 114.841 -12.857 -1.745 362 3HG2 THR 57 HG23 THR 57 116.465 -13.273 -2.295 363 H ALA 58 HN ALA 58 113.653 -8.851 -2.916 364 HA ALA 58 HA ALA 58 115.468 -6.554 -2.646 365 1HB ALA 58 HB1 ALA 58 114.665 -7.553 -4.933 366 2HB ALA 58 HB2 ALA 58 114.813 -5.810 -4.714 367 3HB ALA 58 HB3 ALA 58 113.230 -6.581 -4.612 368 H ALA 59 HN ALA 59 111.993 -7.333 -2.656 369 HA ALA 59 HA ALA 59 111.201 -4.790 -1.674 370 1HB ALA 59 HB1 ALA 59 109.020 -5.801 -1.320 371 2HB ALA 59 HB2 ALA 59 109.711 -7.407 -1.543 372 3HB ALA 59 HB3 ALA 59 109.671 -6.271 -2.891 373 H MET 60 HN MET 60 112.832 -7.314 -0.182 374 HA MET 60 HA MET 60 111.779 -6.634 2.478 375 1HB MET 60 HB2 MET 60 113.293 -9.002 1.408 376 2HB MET 60 HB1 MET 60 113.251 -8.664 3.133 377 1HG MET 60 HG2 MET 60 110.781 -8.981 1.454 378 2HG MET 60 HG1 MET 60 111.559 -10.315 2.303 379 1HE MET 60 HE1 MET 60 112.079 -10.340 4.707 380 2HE MET 60 HE2 MET 60 110.439 -10.987 4.784 381 3HE MET 60 HE3 MET 60 110.961 -9.762 5.941 382 H SER 61 HN SER 61 114.833 -7.081 0.713 383 HA SER 61 HA SER 61 116.435 -5.994 2.811 384 1HB SER 61 HB2 SER 61 117.005 -6.587 -0.095 385 2HB SER 61 HB1 SER 61 118.218 -5.940 1.008 386 HG SER 61 HG SER 61 117.963 -7.791 2.289 387 H THR 62 HN THR 62 114.420 -4.604 0.481 388 HA THR 62 HA THR 62 115.828 -2.238 -0.118 389 HB THR 62 HB THR 62 113.940 -2.897 -1.466 390 HG1 THR 62 HG1 THR 62 114.338 -0.623 -1.154 391 1HG2 THR 62 HG21 THR 62 111.736 -3.087 -0.777 392 2HG2 THR 62 HG22 THR 62 112.036 -2.239 0.741 393 3HG2 THR 62 HG23 THR 62 112.639 -3.881 0.513 394 H TYR 63 HN TYR 63 113.502 -3.035 2.443 395 HA TYR 63 HA TYR 63 113.468 -0.407 3.544 396 1HB TYR 63 HB2 TYR 63 112.024 -2.779 3.816 397 2HB TYR 63 HB1 TYR 63 112.736 -2.483 5.396 398 HD1 TYR 63 HD1 TYR 63 111.749 -0.948 6.861 399 HD2 TYR 63 HD2 TYR 63 110.732 -0.837 2.732 400 HE1 TYR 63 HE1 TYR 63 110.002 0.713 7.343 401 HE2 TYR 63 HE2 TYR 63 108.982 0.824 3.201 402 HH TYR 63 HH TYR 63 108.718 2.671 5.321 403 H THR 64 HN THR 64 115.290 -3.353 4.142 404 HA THR 64 HA THR 64 116.397 -2.729 6.622 405 HB THR 64 HB THR 64 118.102 -4.333 6.151 406 HG1 THR 64 HG1 THR 64 117.529 -3.771 3.445 407 1HG2 THR 64 HG21 THR 64 116.938 -6.234 5.330 408 2HG2 THR 64 HG22 THR 64 115.762 -5.224 4.491 409 3HG2 THR 64 HG23 THR 64 115.798 -5.257 6.253 410 H GLY 65 HN GLY 65 116.920 -1.398 3.525 411 1HA GLY 65 HA2 GLY 65 119.419 -0.097 4.257 412 2HA GLY 65 HA1 GLY 65 118.604 0.007 2.701 413 H ILE 66 HN ILE 66 116.007 0.548 4.166 414 HA ILE 66 HA ILE 66 116.373 3.422 4.323 415 HB ILE 66 HB ILE 66 113.813 1.868 4.689 416 1HG1 ILE 66 HG12 ILE 66 114.866 1.372 2.506 417 2HG1 ILE 66 HG11 ILE 66 113.362 2.268 2.331 418 1HG2 ILE 66 HG21 ILE 66 114.514 4.682 4.750 419 2HG2 ILE 66 HG22 ILE 66 113.028 3.875 5.250 420 3HG2 ILE 66 HG23 ILE 66 113.257 4.332 3.563 421 1HD1 ILE 66 HD11 ILE 66 114.891 4.345 2.239 422 2HD1 ILE 66 HD12 ILE 66 114.764 3.303 0.823 423 3HD1 ILE 66 HD13 ILE 66 116.167 3.180 1.885 424 H PHE 67 HN PHE 67 116.436 0.818 6.439 425 HA PHE 67 HA PHE 67 115.196 1.849 8.729 426 1HB PHE 67 HB2 PHE 67 116.424 -0.480 8.020 427 2HB PHE 67 HB1 PHE 67 117.588 0.199 9.150 428 HD1 PHE 67 HD1 PHE 67 114.157 -1.042 8.757 429 HD2 PHE 67 HD2 PHE 67 117.105 0.349 11.492 430 HE1 PHE 67 HE1 PHE 67 112.793 -1.858 10.635 431 HE2 PHE 67 HE2 PHE 67 115.748 -0.467 13.376 432 HZ PHE 67 HZ PHE 67 113.589 -1.572 12.947 433 H THR 68 HN THR 68 118.651 1.677 7.972 434 HA THR 68 HA THR 68 119.511 3.358 10.050 435 HB THR 68 HB THR 68 121.177 3.463 7.644 436 HG1 THR 68 HG1 THR 68 120.469 0.930 8.706 437 1HG2 THR 68 HG21 THR 68 121.494 3.028 10.490 438 2HG2 THR 68 HG22 THR 68 122.635 3.659 9.302 439 3HG2 THR 68 HG23 THR 68 122.463 1.917 9.522 440 H ASP 69 HN ASP 69 118.122 4.042 6.957 441 HA ASP 69 HA ASP 69 119.096 6.615 6.495 442 1HB ASP 69 HB2 ASP 69 117.364 4.940 5.200 443 2HB ASP 69 HB1 ASP 69 116.277 6.204 5.764 444 H GLN 70 HN GLN 70 116.728 5.458 8.741 445 HA GLN 70 HA GLN 70 115.849 8.175 9.368 446 1HB GLN 70 HB2 GLN 70 114.875 5.498 10.376 447 2HB GLN 70 HB1 GLN 70 114.205 7.051 10.853 448 1HG GLN 70 HG2 GLN 70 113.041 7.282 8.952 449 2HG GLN 70 HG1 GLN 70 114.324 6.594 7.958 450 1HE2 GLN 70 HE21 GLN 70 113.412 5.018 6.837 451 2HE2 GLN 70 HE22 GLN 70 112.457 3.736 7.492 452 H VAL 71 HN VAL 71 118.459 6.506 10.117 453 HA VAL 71 HA VAL 71 118.422 7.007 13.008 454 HB VAL 71 HB VAL 71 120.464 5.571 11.301 455 1HG1 VAL 71 HG11 VAL 71 120.252 5.673 14.308 456 2HG1 VAL 71 HG12 VAL 71 121.389 6.624 13.353 457 3HG1 VAL 71 HG13 VAL 71 121.497 4.864 13.356 458 1HG2 VAL 71 HG21 VAL 71 118.198 4.487 11.543 459 2HG2 VAL 71 HG22 VAL 71 118.539 4.356 13.269 460 3HG2 VAL 71 HG23 VAL 71 119.570 3.529 12.101 461 H LEU 72 HN LEU 72 120.919 7.338 10.477 462 HA LEU 72 HA LEU 72 122.259 9.385 11.846 463 1HB LEU 72 HB2 LEU 72 123.169 9.815 9.393 464 2HB LEU 72 HB1 LEU 72 123.696 8.445 10.349 465 HG LEU 72 HG LEU 72 121.347 8.011 8.590 466 1HD1 LEU 72 HD11 LEU 72 123.685 9.201 7.549 467 2HD1 LEU 72 HD12 LEU 72 122.321 8.515 6.666 468 3HD1 LEU 72 HD13 LEU 72 123.707 7.504 7.071 469 1HD2 LEU 72 HD21 LEU 72 122.782 6.395 10.163 470 2HD2 LEU 72 HD22 LEU 72 123.708 6.230 8.671 471 3HD2 LEU 72 HD23 LEU 72 121.988 5.840 8.689 472 H SER 73 HN SER 73 119.604 9.334 9.639 473 HA SER 73 HA SER 73 119.655 12.086 8.943 474 1HB SER 73 HB2 SER 73 118.518 10.273 7.641 475 2HB SER 73 HB1 SER 73 117.285 10.235 8.901 476 HG SER 73 HG SER 73 117.955 12.405 7.203 477 H VAL 74 HN VAL 74 118.879 10.492 11.805 478 HA VAL 74 HA VAL 74 117.258 12.788 12.696 479 HB VAL 74 HB VAL 74 117.065 9.986 13.790 480 1HG1 VAL 74 HG11 VAL 74 115.869 10.910 15.414 481 2HG1 VAL 74 HG12 VAL 74 114.742 11.557 14.223 482 3HG1 VAL 74 HG13 VAL 74 116.142 12.507 14.720 483 1HG2 VAL 74 HG21 VAL 74 116.298 9.935 11.509 484 2HG2 VAL 74 HG22 VAL 74 115.325 11.384 11.761 485 3HG2 VAL 74 HG23 VAL 74 114.899 9.882 12.581 486 H LEU 75 HN LEU 75 120.010 10.724 13.392 487 HA LEU 75 HA LEU 75 120.396 12.325 15.850 488 1HB LEU 75 HB2 LEU 75 121.497 10.377 16.886 489 2HB LEU 75 HB1 LEU 75 119.788 10.152 16.572 490 HG LEU 75 HG LEU 75 121.273 9.162 14.333 491 1HD1 LEU 75 HD11 LEU 75 123.135 8.399 15.281 492 2HD1 LEU 75 HD12 LEU 75 122.110 7.215 16.093 493 3HD1 LEU 75 HD13 LEU 75 122.538 8.717 16.909 494 1HD2 LEU 75 HD21 LEU 75 119.000 8.535 15.774 495 2HD2 LEU 75 HD22 LEU 75 120.081 7.180 16.093 496 3HD2 LEU 75 HD23 LEU 75 119.672 7.609 14.433 497 H LYS 76 HN LYS 76 121.784 11.595 12.848 498 HA LYS 76 HA LYS 76 124.482 12.137 13.918 499 1HB LYS 76 HB2 LYS 76 123.483 10.482 11.779 500 2HB LYS 76 HB1 LYS 76 124.720 11.576 11.197 501 1HG LYS 76 HG2 LYS 76 126.208 10.100 11.928 502 2HG LYS 76 HG1 LYS 76 125.766 10.599 13.561 503 1HD LYS 76 HD2 LYS 76 124.592 8.708 13.962 504 2HD LYS 76 HD1 LYS 76 123.993 8.602 12.307 505 1HE LYS 76 HE2 LYS 76 125.891 7.504 11.554 506 2HE LYS 76 HE1 LYS 76 126.877 8.080 12.898 507 1HZ LYS 76 HZ1 LYS 76 125.004 6.624 14.158 508 2HZ LYS 76 HZ2 LYS 76 126.526 6.040 13.709 509 3HZ LYS 76 HZ3 LYS 76 125.185 5.749 12.721 510 H GLY 77 HN GLY 77 121.902 13.625 12.331 511 1HA GLY 77 HA2 GLY 77 122.132 16.074 12.124 512 2HA GLY 77 HA1 GLY 77 123.695 15.771 11.375 513 H GLU 78 HN GLU 78 120.637 14.097 10.853 514 HA GLU 78 HA GLU 78 119.358 13.777 9.022 515 1HB GLU 78 HB2 GLU 78 119.631 16.408 9.198 516 2HB GLU 78 HB1 GLU 78 120.442 16.175 7.655 517 1HG GLU 78 HG2 GLU 78 118.130 14.675 7.426 518 2HG GLU 78 HG1 GLU 78 117.620 16.119 8.299 519 H GLU 79 HN GLU 79 121.423 12.145 8.947 520 HA GLU 79 HA GLU 79 122.747 10.898 7.591 521 1HB GLU 79 HB2 GLU 79 120.648 11.149 6.145 522 2HB GLU 79 HB1 GLU 79 121.556 12.353 5.242 523 1HG GLU 79 HG2 GLU 79 123.129 9.980 5.546 524 2HG GLU 79 HG1 GLU 79 121.546 9.575 4.885 Start of MODEL 18 1 H THR 13 H THR 13 79.731 15.116 12.009 2 HA THR 13 HA THR 13 77.047 14.047 12.576 3 HB THR 13 HB THR 13 78.854 12.941 10.494 4 HG1 THR 13 HG1 THR 13 78.827 14.644 9.295 5 1HG2 THR 13 HG21 THR 13 76.595 12.954 9.258 6 2HG2 THR 13 HG22 THR 13 75.910 13.252 10.855 7 3HG2 THR 13 HG23 THR 13 76.857 11.794 10.560 8 H PHE 14 HN PHE 14 77.254 11.576 12.580 9 HA PHE 14 HA PHE 14 79.719 10.698 13.928 10 1HB PHE 14 HB2 PHE 14 77.428 11.229 15.341 11 2HB PHE 14 HB1 PHE 14 77.254 9.508 15.009 12 HD1 PHE 14 HD1 PHE 14 78.499 11.818 17.276 13 HD2 PHE 14 HD2 PHE 14 79.516 8.139 15.395 14 HE1 PHE 14 HE1 PHE 14 80.069 11.321 19.104 15 HE2 PHE 14 HE2 PHE 14 81.084 7.633 17.221 16 HZ PHE 14 HZ PHE 14 81.364 9.226 19.079 17 H LEU 15 HN LEU 15 76.739 9.821 12.249 18 HA LEU 15 HA LEU 15 77.117 7.081 12.000 19 1HB LEU 15 HB2 LEU 15 75.962 8.852 9.849 20 2HB LEU 15 HB1 LEU 15 75.609 7.160 10.141 21 HG LEU 15 HG LEU 15 75.003 9.010 12.369 22 1HD1 LEU 15 HD11 LEU 15 73.430 8.994 9.800 23 2HD1 LEU 15 HD12 LEU 15 74.243 10.373 10.541 24 3HD1 LEU 15 HD13 LEU 15 72.845 9.644 11.331 25 1HD2 LEU 15 HD21 LEU 15 74.576 6.541 12.349 26 2HD2 LEU 15 HD22 LEU 15 73.369 6.826 11.097 27 3HD2 LEU 15 HD23 LEU 15 73.164 7.537 12.698 28 H THR 16 HN THR 16 78.272 9.707 9.912 29 HA THR 16 HA THR 16 79.570 8.006 8.040 30 HB THR 16 HB THR 16 80.571 10.773 8.398 31 HG1 THR 16 HG1 THR 16 78.645 11.638 7.562 32 1HG2 THR 16 HG21 THR 16 79.308 9.692 5.929 33 2HG2 THR 16 HG22 THR 16 80.920 9.152 6.398 34 3HG2 THR 16 HG23 THR 16 80.613 10.865 6.109 35 H GLN 17 HN GLN 17 80.525 9.468 11.066 36 HA GLN 17 HA GLN 17 83.331 9.055 10.712 37 1HB GLN 17 HB2 GLN 17 81.557 10.023 12.865 38 2HB GLN 17 HB1 GLN 17 83.056 9.274 13.400 39 1HG GLN 17 HG2 GLN 17 83.182 11.323 11.252 40 2HG GLN 17 HG1 GLN 17 82.903 11.848 12.910 41 1HE2 GLN 17 HE21 GLN 17 84.915 12.915 12.880 42 2HE2 GLN 17 HE22 GLN 17 86.395 12.041 13.052 43 H VAL 18 HN VAL 18 80.846 6.899 11.208 44 HA VAL 18 HA VAL 18 82.584 4.993 12.647 45 HB VAL 18 HB VAL 18 79.585 4.844 12.307 46 1HG1 VAL 18 HG11 VAL 18 80.041 3.283 14.385 47 2HG1 VAL 18 HG12 VAL 18 81.631 3.141 13.636 48 3HG1 VAL 18 HG13 VAL 18 80.188 2.678 12.734 49 1HG2 VAL 18 HG21 VAL 18 80.693 5.349 14.980 50 2HG2 VAL 18 HG22 VAL 18 79.264 6.023 14.196 51 3HG2 VAL 18 HG23 VAL 18 80.859 6.685 13.842 52 H LYS 19 HN LYS 19 80.501 5.461 9.849 53 HA LYS 19 HA LYS 19 80.662 2.829 8.822 54 1HB LYS 19 HB2 LYS 19 80.035 5.508 7.615 55 2HB LYS 19 HB1 LYS 19 80.111 4.060 6.623 56 1HG LYS 19 HG2 LYS 19 78.345 4.272 9.044 57 2HG LYS 19 HG1 LYS 19 77.821 4.753 7.429 58 1HD LYS 19 HD2 LYS 19 77.700 2.611 6.685 59 2HD LYS 19 HD1 LYS 19 79.051 2.072 7.685 60 1HE LYS 19 HE2 LYS 19 77.519 1.110 8.991 61 2HE LYS 19 HE1 LYS 19 77.111 2.738 9.530 62 1HZ LYS 19 HZ1 LYS 19 75.642 2.640 7.359 63 2HZ LYS 19 HZ2 LYS 19 75.080 2.048 8.841 64 3HZ LYS 19 HZ3 LYS 19 75.690 0.980 7.681 65 H GLU 20 HN GLU 20 82.214 5.801 7.641 66 HA GLU 20 HA GLU 20 84.046 4.537 5.944 67 1HB GLU 20 HB2 GLU 20 83.829 7.235 7.182 68 2HB GLU 20 HB1 GLU 20 85.387 6.778 6.505 69 1HG GLU 20 HG2 GLU 20 82.841 6.551 4.939 70 2HG GLU 20 HG1 GLU 20 83.781 8.041 5.002 71 H SER 21 HN SER 21 83.990 4.900 9.362 72 HA SER 21 HA SER 21 86.802 4.513 9.778 73 1HB SER 21 HB2 SER 21 84.636 5.371 11.287 74 2HB SER 21 HB1 SER 21 85.082 3.832 12.020 75 HG SER 21 HG SER 21 86.610 4.929 12.951 76 H LEU 22 HN LEU 22 83.921 2.508 10.420 77 HA LEU 22 HA LEU 22 85.357 0.164 11.034 78 1HB LEU 22 HB2 LEU 22 82.564 0.903 10.542 79 2HB LEU 22 HB1 LEU 22 82.946 -0.743 10.073 80 HG LEU 22 HG LEU 22 84.042 -0.784 12.500 81 1HD1 LEU 22 HD11 LEU 22 82.336 1.604 12.460 82 2HD1 LEU 22 HD12 LEU 22 83.659 1.168 13.540 83 3HD1 LEU 22 HD13 LEU 22 82.048 0.505 13.808 84 1HD2 LEU 22 HD21 LEU 22 82.114 -2.127 11.442 85 2HD2 LEU 22 HD22 LEU 22 81.060 -1.002 12.300 86 3HD2 LEU 22 HD23 LEU 22 82.194 -2.010 13.200 87 H SER 23 HN SER 23 84.299 1.577 8.028 88 HA SER 23 HA SER 23 84.637 -0.739 6.418 89 1HB SER 23 HB2 SER 23 83.260 1.150 5.672 90 2HB SER 23 HB1 SER 23 84.686 2.188 5.639 91 H SER 24 HN SER 24 86.747 1.842 7.473 92 HA SER 24 HA SER 24 88.893 1.324 5.711 93 1HB SER 24 HB2 SER 24 88.942 2.521 8.485 94 2HB SER 24 HB1 SER 24 90.264 2.584 7.322 95 HG SER 24 HG SER 24 88.367 4.319 7.556 96 H TYR 25 HN TYR 25 87.933 -0.031 8.803 97 HA TYR 25 HA TYR 25 90.241 -1.380 9.534 98 1HB TYR 25 HB2 TYR 25 87.645 -1.166 10.414 99 2HB TYR 25 HB1 TYR 25 87.750 -2.860 9.958 100 HD1 TYR 25 HD1 TYR 25 87.852 -0.910 12.695 101 HD2 TYR 25 HD2 TYR 25 90.325 -3.760 10.730 102 HE1 TYR 25 HE1 TYR 25 88.971 -1.400 14.829 103 HE2 TYR 25 HE2 TYR 25 91.452 -4.258 12.858 104 HH TYR 25 HH TYR 25 90.696 -4.031 15.439 105 H TRP 26 HN TRP 26 87.756 -2.144 7.200 106 HA TRP 26 HA TRP 26 89.097 -4.663 6.493 107 1HB TRP 26 HB2 TRP 26 86.320 -3.600 6.122 108 2HB TRP 26 HB1 TRP 26 86.927 -4.833 5.019 109 HD1 TRP 26 HD1 TRP 26 87.040 -4.465 8.894 110 HE1 TRP 26 HE1 TRP 26 86.326 -6.717 9.913 111 HE3 TRP 26 HE3 TRP 26 86.139 -7.058 4.582 112 HZ2 TRP 26 HZ2 TRP 26 85.488 -9.258 9.009 113 HZ3 TRP 26 HZ3 TRP 26 85.384 -9.394 4.746 114 HH2 TRP 26 HH2 TRP 26 85.068 -10.470 6.914 115 H GLU 27 HN GLU 27 88.706 -1.421 5.465 116 HA GLU 27 HA GLU 27 88.832 -1.722 2.674 117 1HB GLU 27 HB2 GLU 27 88.398 0.393 4.098 118 2HB GLU 27 HB1 GLU 27 90.150 0.557 4.123 119 1HG GLU 27 HG2 GLU 27 90.062 0.457 1.600 120 2HG GLU 27 HG1 GLU 27 88.314 0.627 1.748 121 H SER 28 HN SER 28 91.383 -1.497 5.122 122 HA SER 28 HA SER 28 93.561 -1.436 3.342 123 1HB SER 28 HB2 SER 28 94.218 -0.879 5.472 124 2HB SER 28 HB1 SER 28 93.206 -2.105 6.230 125 HG SER 28 HG SER 28 95.794 -2.239 5.614 126 H ALA 29 HN ALA 29 91.683 -4.064 4.723 127 HA ALA 29 HA ALA 29 93.338 -6.198 3.910 128 1HB ALA 29 HB1 ALA 29 91.246 -6.170 5.478 129 2HB ALA 29 HB2 ALA 29 91.601 -7.604 4.514 130 3HB ALA 29 HB3 ALA 29 90.359 -6.469 3.984 131 H LYS 30 HN LYS 30 90.837 -4.325 2.350 132 HA LYS 30 HA LYS 30 90.803 -5.907 -0.059 133 1HB LYS 30 HB2 LYS 30 89.196 -3.864 1.090 134 2HB LYS 30 HB1 LYS 30 89.748 -3.275 -0.472 135 1HG LYS 30 HG2 LYS 30 88.916 -5.393 -1.486 136 2HG LYS 30 HG1 LYS 30 88.223 -5.808 0.083 137 1HD LYS 30 HD2 LYS 30 87.581 -3.149 -1.092 138 2HD LYS 30 HD1 LYS 30 86.801 -4.577 -1.774 139 1HE LYS 30 HE2 LYS 30 85.368 -4.642 -0.079 140 2HE LYS 30 HE1 LYS 30 86.698 -4.731 1.076 141 1HZ LYS 30 HZ1 LYS 30 85.438 -2.826 1.615 142 2HZ LYS 30 HZ2 LYS 30 85.389 -2.295 0.010 143 3HZ LYS 30 HZ3 LYS 30 86.845 -2.255 0.870 144 H THR 31 HN THR 31 92.485 -3.125 1.183 145 HA THR 31 HA THR 31 93.451 -2.103 -1.275 146 HB THR 31 HB THR 31 94.460 -1.876 1.562 147 HG1 THR 31 HG1 THR 31 93.397 0.030 1.558 148 1HG2 THR 31 HG21 THR 31 95.270 0.263 -0.187 149 2HG2 THR 31 HG22 THR 31 95.956 -1.284 -0.681 150 3HG2 THR 31 HG23 THR 31 96.216 -0.686 0.958 151 H ALA 32 HN ALA 32 94.956 -4.157 1.219 152 HA ALA 32 HA ALA 32 97.371 -4.637 -0.090 153 1HB ALA 32 HB1 ALA 32 97.285 -5.285 2.157 154 2HB ALA 32 HB2 ALA 32 97.333 -6.812 1.277 155 3HB ALA 32 HB3 ALA 32 95.806 -6.217 1.928 156 H ALA 33 HN ALA 33 94.198 -5.800 -0.692 157 HA ALA 33 HA ALA 33 95.007 -8.088 -2.252 158 1HB ALA 33 HB1 ALA 33 92.772 -7.667 -0.930 159 2HB ALA 33 HB2 ALA 33 92.777 -8.609 -2.421 160 3HB ALA 33 HB3 ALA 33 92.273 -6.919 -2.448 161 H GLN 34 HN GLN 34 94.203 -4.733 -2.777 162 HA GLN 34 HA GLN 34 93.897 -4.944 -5.624 163 1HB GLN 34 HB2 GLN 34 93.403 -2.991 -3.675 164 2HB GLN 34 HB1 GLN 34 94.650 -2.300 -4.705 165 1HG GLN 34 HG2 GLN 34 93.246 -2.006 -6.415 166 2HG GLN 34 HG1 GLN 34 92.465 -3.567 -6.172 167 1HE2 GLN 34 HE21 GLN 34 90.377 -2.950 -6.281 168 2HE2 GLN 34 HE22 GLN 34 89.624 -1.853 -5.178 169 H ASN 35 HN ASN 35 96.463 -3.906 -3.427 170 HA ASN 35 HA ASN 35 98.350 -3.017 -5.222 171 1HB ASN 35 HB2 ASN 35 98.170 -3.415 -2.512 172 2HB ASN 35 HB1 ASN 35 99.425 -4.559 -2.973 173 1HD2 ASN 35 HD21 ASN 35 98.550 -1.237 -2.659 174 2HD2 ASN 35 HD22 ASN 35 100.117 -0.574 -2.960 175 H LEU 36 HN LEU 36 98.143 -6.287 -3.793 176 HA LEU 36 HA LEU 36 100.172 -7.430 -5.312 177 1HB LEU 36 HB2 LEU 36 98.461 -8.158 -3.292 178 2HB LEU 36 HB1 LEU 36 97.985 -9.219 -4.603 179 HG LEU 36 HG LEU 36 100.475 -9.815 -4.797 180 1HD1 LEU 36 HD11 LEU 36 100.619 -8.916 -1.948 181 2HD1 LEU 36 HD12 LEU 36 101.043 -7.816 -3.259 182 3HD1 LEU 36 HD13 LEU 36 101.926 -9.329 -3.058 183 1HD2 LEU 36 HD21 LEU 36 99.594 -11.662 -3.928 184 2HD2 LEU 36 HD22 LEU 36 98.413 -10.740 -2.999 185 3HD2 LEU 36 HD23 LEU 36 100.020 -11.036 -2.335 186 H TYR 37 HN TYR 37 96.778 -6.930 -6.029 187 HA TYR 37 HA TYR 37 96.869 -8.604 -8.408 188 1HB TYR 37 HB2 TYR 37 94.828 -7.513 -6.703 189 2HB TYR 37 HB1 TYR 37 94.483 -7.109 -8.379 190 HD1 TYR 37 HD1 TYR 37 93.070 -8.580 -9.442 191 HD2 TYR 37 HD2 TYR 37 95.766 -10.093 -6.517 192 HE1 TYR 37 HE1 TYR 37 92.207 -10.849 -9.829 193 HE2 TYR 37 HE2 TYR 37 94.908 -12.366 -6.894 194 HH TYR 37 HH TYR 37 92.134 -13.086 -8.254 195 H GLU 38 HN GLU 38 97.879 -5.511 -7.766 196 HA GLU 38 HA GLU 38 97.786 -4.845 -10.593 197 1HB GLU 38 HB2 GLU 38 96.239 -3.428 -8.515 198 2HB GLU 38 HB1 GLU 38 97.116 -2.407 -9.647 199 1HG GLU 38 HG2 GLU 38 95.524 -2.686 -11.150 200 2HG GLU 38 HG1 GLU 38 95.803 -4.427 -11.139 201 H LYS 39 HN LYS 39 98.572 -3.276 -7.493 202 HA LYS 39 HA LYS 39 100.688 -1.738 -8.443 203 1HB LYS 39 HB2 LYS 39 100.256 -2.892 -5.693 204 2HB LYS 39 HB1 LYS 39 101.431 -1.639 -6.070 205 1HG LYS 39 HG2 LYS 39 98.672 -1.089 -6.930 206 2HG LYS 39 HG1 LYS 39 98.934 -1.158 -5.186 207 1HD LYS 39 HD2 LYS 39 99.621 0.961 -5.333 208 2HD LYS 39 HD1 LYS 39 101.074 0.330 -6.110 209 1HE LYS 39 HE2 LYS 39 99.213 0.430 -8.157 210 2HE LYS 39 HE1 LYS 39 98.894 1.891 -7.224 211 1HZ LYS 39 HZ1 LYS 39 101.191 2.527 -7.447 212 2HZ LYS 39 HZ2 LYS 39 100.544 2.235 -8.981 213 3HZ LYS 39 HZ3 LYS 39 101.558 1.089 -8.262 214 H THR 40 HN THR 40 100.759 -4.996 -7.044 215 HA THR 40 HA THR 40 103.611 -5.201 -7.391 216 HB THR 40 HB THR 40 101.595 -7.297 -6.584 217 HG1 THR 40 HG1 THR 40 101.774 -5.429 -5.180 218 1HG2 THR 40 HG21 THR 40 103.705 -8.264 -7.317 219 2HG2 THR 40 HG22 THR 40 103.450 -8.469 -5.585 220 3HG2 THR 40 HG23 THR 40 104.567 -7.238 -6.173 221 H TYR 41 HN TYR 41 100.906 -5.666 -9.352 222 HA TYR 41 HA TYR 41 101.595 -7.913 -10.849 223 1HB TYR 41 HB2 TYR 41 99.555 -6.075 -10.872 224 2HB TYR 41 HB1 TYR 41 100.377 -5.742 -12.393 225 HD1 TYR 41 HD1 TYR 41 98.781 -8.450 -10.420 226 HD2 TYR 41 HD2 TYR 41 100.061 -7.139 -14.259 227 HE1 TYR 41 HE1 TYR 41 97.614 -10.352 -11.452 228 HE2 TYR 41 HE2 TYR 41 98.899 -9.038 -15.302 229 HH TYR 41 HH TYR 41 97.071 -10.574 -14.807 230 H LEU 42 HN LEU 42 102.686 -4.582 -11.064 231 HA LEU 42 HA LEU 42 104.828 -5.467 -12.819 232 1HB LEU 42 HB2 LEU 42 102.735 -3.484 -13.546 233 2HB LEU 42 HB1 LEU 42 104.373 -3.202 -14.103 234 HG LEU 42 HG LEU 42 103.845 -5.878 -14.725 235 1HD1 LEU 42 HD11 LEU 42 101.460 -5.416 -14.301 236 2HD1 LEU 42 HD12 LEU 42 101.788 -5.831 -15.983 237 3HD1 LEU 42 HD13 LEU 42 101.511 -4.150 -15.528 238 1HD2 LEU 42 HD21 LEU 42 104.660 -5.209 -16.693 239 2HD2 LEU 42 HD22 LEU 42 104.812 -3.612 -15.964 240 3HD2 LEU 42 HD23 LEU 42 103.380 -4.016 -16.912 241 HA PRO 43 HA PRO 43 106.082 -1.131 -11.021 242 1HB PRO 43 HB2 PRO 43 103.921 -0.564 -9.088 243 2HB PRO 43 HB1 PRO 43 104.700 0.512 -10.252 244 1HG PRO 43 HG2 PRO 43 102.199 -0.362 -10.618 245 2HG PRO 43 HG1 PRO 43 103.312 -0.136 -11.980 246 1HD PRO 43 HD2 PRO 43 102.490 -2.663 -10.601 247 2HD PRO 43 HD1 PRO 43 102.730 -2.344 -12.327 248 H ALA 44 HN ALA 44 107.147 -3.259 -10.172 249 HA ALA 44 HA ALA 44 107.758 -2.848 -7.440 250 1HB ALA 44 HB1 ALA 44 105.445 -4.208 -7.662 251 2HB ALA 44 HB2 ALA 44 106.573 -4.396 -6.319 252 3HB ALA 44 HB3 ALA 44 106.598 -5.543 -7.659 253 H VAL 45 HN VAL 45 109.054 -3.274 -10.066 254 HA VAL 45 HA VAL 45 110.517 -5.773 -9.635 255 HB VAL 45 HB VAL 45 110.732 -3.869 -11.959 256 1HG1 VAL 45 HG11 VAL 45 112.673 -5.410 -11.446 257 2HG1 VAL 45 HG12 VAL 45 111.969 -5.563 -13.056 258 3HG1 VAL 45 HG13 VAL 45 111.588 -6.750 -11.810 259 1HG2 VAL 45 HG21 VAL 45 109.093 -6.373 -11.597 260 2HG2 VAL 45 HG22 VAL 45 109.412 -5.622 -13.161 261 3HG2 VAL 45 HG23 VAL 45 108.507 -4.744 -11.928 262 H ASP 46 HN ASP 46 111.175 -2.322 -10.168 263 HA ASP 46 HA ASP 46 112.917 -0.985 -9.532 264 1HB ASP 46 HB2 ASP 46 112.337 -2.605 -7.359 265 2HB ASP 46 HB1 ASP 46 114.080 -2.757 -7.543 266 H GLU 47 HN GLU 47 113.242 -3.032 -11.535 267 HA GLU 47 HA GLU 47 116.160 -3.118 -11.625 268 1HB GLU 47 HB2 GLU 47 115.261 -5.266 -10.688 269 2HB GLU 47 HB1 GLU 47 114.411 -5.490 -12.209 270 1HG GLU 47 HG2 GLU 47 116.209 -6.584 -12.916 271 2HG GLU 47 HG1 GLU 47 117.014 -5.018 -12.990 272 H LYS 48 HN LYS 48 113.178 -4.034 -13.253 273 HA LYS 48 HA LYS 48 114.224 -2.932 -15.778 274 1HB LYS 48 HB2 LYS 48 112.713 -5.441 -15.196 275 2HB LYS 48 HB1 LYS 48 112.407 -4.616 -16.717 276 1HG LYS 48 HG2 LYS 48 114.478 -5.077 -17.548 277 2HG LYS 48 HG1 LYS 48 115.228 -5.133 -15.951 278 1HD LYS 48 HD2 LYS 48 114.156 -7.276 -15.509 279 2HD LYS 48 HD1 LYS 48 113.360 -7.217 -17.083 280 1HE LYS 48 HE2 LYS 48 116.349 -7.108 -16.790 281 2HE LYS 48 HE1 LYS 48 115.472 -8.634 -16.890 282 1HZ LYS 48 HZ1 LYS 48 116.391 -7.653 -19.034 283 2HZ LYS 48 HZ2 LYS 48 115.132 -6.528 -18.936 284 3HZ LYS 48 HZ3 LYS 48 114.783 -8.179 -19.052 285 H LEU 49 HN LEU 49 111.640 -3.018 -13.438 286 HA LEU 49 HA LEU 49 110.025 -1.301 -15.215 287 1HB LEU 49 HB2 LEU 49 109.316 -3.230 -13.062 288 2HB LEU 49 HB1 LEU 49 108.253 -1.868 -13.355 289 HG LEU 49 HG LEU 49 109.094 -3.668 -15.605 290 1HD1 LEU 49 HD11 LEU 49 106.580 -4.513 -14.971 291 2HD1 LEU 49 HD12 LEU 49 107.315 -4.314 -13.382 292 3HD1 LEU 49 HD13 LEU 49 108.071 -5.366 -14.576 293 1HD2 LEU 49 HD21 LEU 49 106.834 -1.752 -15.108 294 2HD2 LEU 49 HD22 LEU 49 106.820 -2.920 -16.429 295 3HD2 LEU 49 HD23 LEU 49 108.076 -1.684 -16.359 296 H ARG 50 HN ARG 50 111.914 -1.345 -12.320 297 HA ARG 50 HA ARG 50 111.116 1.454 -11.905 298 1HB ARG 50 HB2 ARG 50 111.063 -0.679 -9.795 299 2HB ARG 50 HB1 ARG 50 111.324 1.002 -9.370 300 1HG ARG 50 HG2 ARG 50 109.017 0.408 -11.119 301 2HG ARG 50 HG1 ARG 50 108.914 -0.127 -9.441 302 1HD ARG 50 HD2 ARG 50 109.897 2.427 -9.205 303 2HD ARG 50 HD1 ARG 50 108.786 2.564 -10.567 304 HE ARG 50 HE ARG 50 107.365 1.205 -8.683 305 1HH1 ARG 50 HH11 ARG 50 109.074 4.246 -8.723 306 2HH1 ARG 50 HH12 ARG 50 108.032 4.991 -7.558 307 1HH2 ARG 50 HH21 ARG 50 105.993 2.182 -7.146 308 2HH2 ARG 50 HH22 ARG 50 106.285 3.820 -6.661 309 H ASP 51 HN ASP 51 113.402 0.418 -13.187 310 HA ASP 51 HA ASP 51 115.575 0.862 -11.275 311 1HB ASP 51 HB2 ASP 51 115.267 -0.778 -13.571 312 2HB ASP 51 HB1 ASP 51 116.533 0.389 -13.930 313 H LEU 52 HN LEU 52 114.022 2.255 -14.070 314 HA LEU 52 HA LEU 52 115.852 4.112 -14.947 315 1HB LEU 52 HB2 LEU 52 113.790 5.561 -15.415 316 2HB LEU 52 HB1 LEU 52 113.872 3.981 -16.171 317 HG LEU 52 HG LEU 52 112.543 3.602 -13.712 318 1HD1 LEU 52 HD11 LEU 52 110.674 5.130 -13.842 319 2HD1 LEU 52 HD12 LEU 52 111.394 5.933 -15.237 320 3HD1 LEU 52 HD13 LEU 52 112.180 6.031 -13.661 321 1HD2 LEU 52 HD21 LEU 52 110.674 3.711 -15.840 322 2HD2 LEU 52 HD22 LEU 52 111.418 2.292 -15.102 323 3HD2 LEU 52 HD23 LEU 52 112.186 3.072 -16.484 324 H TYR 53 HN TYR 53 113.696 4.293 -12.174 325 HA TYR 53 HA TYR 53 114.205 6.966 -11.438 326 1HB TYR 53 HB2 TYR 53 112.471 5.115 -10.588 327 2HB TYR 53 HB1 TYR 53 113.681 4.939 -9.323 328 HD1 TYR 53 HD1 TYR 53 111.772 7.621 -11.092 329 HD2 TYR 53 HD2 TYR 53 113.503 6.277 -7.445 330 HE1 TYR 53 HE1 TYR 53 110.859 9.593 -9.940 331 HE2 TYR 53 HE2 TYR 53 112.592 8.242 -6.282 332 HH TYR 53 HH TYR 53 110.795 10.754 -8.029 333 H SER 54 HN SER 54 115.527 3.938 -10.102 334 HA SER 54 HA SER 54 117.497 5.300 -8.543 335 1HB SER 54 HB2 SER 54 118.339 3.021 -8.047 336 2HB SER 54 HB1 SER 54 116.609 3.187 -7.756 337 HG SER 54 HG SER 54 117.818 2.059 -10.066 338 H LYS 55 HN LYS 55 117.428 5.075 -11.710 339 HA LYS 55 HA LYS 55 120.308 4.593 -11.941 340 1HB LYS 55 HB2 LYS 55 118.045 4.104 -13.721 341 2HB LYS 55 HB1 LYS 55 119.328 4.999 -14.521 342 1HG LYS 55 HG2 LYS 55 119.926 2.508 -12.974 343 2HG LYS 55 HG1 LYS 55 119.351 2.435 -14.641 344 1HD LYS 55 HD2 LYS 55 121.596 4.283 -14.069 345 2HD LYS 55 HD1 LYS 55 121.945 2.554 -14.007 346 1HE LYS 55 HE2 LYS 55 121.383 2.239 -16.249 347 2HE LYS 55 HE1 LYS 55 120.476 3.748 -16.330 348 1HZ LYS 55 HZ1 LYS 55 122.287 4.782 -17.029 349 2HZ LYS 55 HZ2 LYS 55 123.131 3.317 -17.030 350 3HZ LYS 55 HZ3 LYS 55 123.154 4.303 -15.657 351 H SER 56 HN SER 56 118.131 6.986 -11.474 352 HA SER 56 HA SER 56 118.635 9.126 -13.068 353 1HB SER 56 HB2 SER 56 118.001 8.723 -10.201 354 2HB SER 56 HB1 SER 56 118.646 10.313 -10.620 355 HG SER 56 HG SER 56 116.493 9.109 -12.015 356 H THR 57 HN THR 57 120.707 7.645 -10.725 357 HA THR 57 HA THR 57 123.094 8.628 -11.774 358 HB THR 57 HB THR 57 122.514 10.787 -10.912 359 HG1 THR 57 HG1 THR 57 124.204 11.103 -9.474 360 1HG2 THR 57 HG21 THR 57 121.015 10.880 -9.271 361 2HG2 THR 57 HG22 THR 57 122.396 10.689 -8.191 362 3HG2 THR 57 HG23 THR 57 121.442 9.281 -8.661 363 H ALA 58 HN ALA 58 121.246 7.154 -9.231 364 HA ALA 58 HA ALA 58 122.437 4.895 -8.722 365 1HB ALA 58 HB1 ALA 58 124.154 5.512 -6.818 366 2HB ALA 58 HB2 ALA 58 124.313 7.002 -7.745 367 3HB ALA 58 HB3 ALA 58 124.660 5.449 -8.507 368 H ALA 59 HN ALA 59 120.047 6.139 -8.170 369 HA ALA 59 HA ALA 59 119.753 6.922 -5.465 370 1HB ALA 59 HB1 ALA 59 118.094 6.905 -7.625 371 2HB ALA 59 HB2 ALA 59 117.592 7.235 -5.967 372 3HB ALA 59 HB3 ALA 59 117.411 5.614 -6.635 373 H MET 60 HN MET 60 119.773 3.834 -7.060 374 HA MET 60 HA MET 60 119.036 2.449 -4.585 375 1HB MET 60 HB2 MET 60 119.017 0.414 -5.904 376 2HB MET 60 HB1 MET 60 118.054 1.651 -6.694 377 1HG MET 60 HG2 MET 60 119.175 1.139 -8.538 378 2HG MET 60 HG1 MET 60 120.536 1.994 -7.817 379 1HE MET 60 HE1 MET 60 118.872 -1.720 -7.964 380 2HE MET 60 HE2 MET 60 120.241 -2.356 -8.876 381 3HE MET 60 HE3 MET 60 119.351 -0.959 -9.480 382 H SER 61 HN SER 61 121.774 2.932 -6.718 383 HA SER 61 HA SER 61 123.506 1.053 -5.497 384 1HB SER 61 HB2 SER 61 124.280 3.557 -7.009 385 2HB SER 61 HB1 SER 61 125.276 2.124 -6.754 386 HG SER 61 HG SER 61 123.005 2.443 -8.392 387 H THR 62 HN THR 62 122.823 4.456 -4.910 388 HA THR 62 HA THR 62 124.938 5.037 -3.180 389 HB THR 62 HB THR 62 122.122 6.132 -3.259 390 HG1 THR 62 HG1 THR 62 122.884 7.219 -4.858 391 1HG2 THR 62 HG21 THR 62 124.225 6.659 -1.346 392 2HG2 THR 62 HG22 THR 62 122.540 7.182 -1.353 393 3HG2 THR 62 HG23 THR 62 123.754 8.108 -2.237 394 H TYR 63 HN TYR 63 122.083 3.140 -2.690 395 HA TYR 63 HA TYR 63 121.956 3.271 0.135 396 1HB TYR 63 HB2 TYR 63 120.489 2.144 -1.941 397 2HB TYR 63 HB1 TYR 63 121.064 0.767 -1.012 398 HD1 TYR 63 HD1 TYR 63 119.556 4.132 -0.375 399 HD2 TYR 63 HD2 TYR 63 119.692 0.012 0.680 400 HE1 TYR 63 HE1 TYR 63 117.771 4.502 1.277 401 HE2 TYR 63 HE2 TYR 63 117.906 0.371 2.333 402 HH TYR 63 HH TYR 63 116.066 1.977 2.737 403 H THR 64 HN THR 64 123.787 1.380 -2.154 404 HA THR 64 HA THR 64 124.608 -0.745 -0.558 405 HB THR 64 HB THR 64 126.564 0.542 -2.420 406 HG1 THR 64 HG1 THR 64 124.083 -0.591 -3.140 407 1HG2 THR 64 HG21 THR 64 127.510 -1.448 -2.327 408 2HG2 THR 64 HG22 THR 64 126.064 -2.153 -3.049 409 3HG2 THR 64 HG23 THR 64 126.211 -2.046 -1.295 410 H GLY 65 HN GLY 65 125.415 2.573 -0.461 411 1HA GLY 65 HA2 GLY 65 127.715 2.137 1.290 412 2HA GLY 65 HA1 GLY 65 127.201 3.678 0.617 413 H ILE 66 HN ILE 66 124.347 2.889 1.447 414 HA ILE 66 HA ILE 66 124.591 3.965 4.149 415 HB ILE 66 HB ILE 66 122.047 3.529 2.599 416 1HG1 ILE 66 HG12 ILE 66 123.567 4.960 1.299 417 2HG1 ILE 66 HG11 ILE 66 122.193 5.876 1.911 418 1HG2 ILE 66 HG21 ILE 66 122.561 4.313 5.241 419 2HG2 ILE 66 HG22 ILE 66 121.022 4.355 4.383 420 3HG2 ILE 66 HG23 ILE 66 122.068 5.773 4.385 421 1HD1 ILE 66 HD11 ILE 66 123.826 7.337 2.436 422 2HD1 ILE 66 HD12 ILE 66 125.061 6.084 2.566 423 3HD1 ILE 66 HD13 ILE 66 123.921 6.339 3.887 424 H PHE 67 HN PHE 67 124.212 0.992 2.641 425 HA PHE 67 HA PHE 67 122.406 -0.312 4.358 426 1HB PHE 67 HB2 PHE 67 123.765 -0.924 2.071 427 2HB PHE 67 HB1 PHE 67 124.592 -1.927 3.254 428 HD1 PHE 67 HD1 PHE 67 123.092 -3.400 4.767 429 HD2 PHE 67 HD2 PHE 67 121.797 -1.662 1.105 430 HE1 PHE 67 HE1 PHE 67 121.286 -5.066 4.620 431 HE2 PHE 67 HE2 PHE 67 119.987 -3.321 0.953 432 HZ PHE 67 HZ PHE 67 119.731 -5.027 2.710 433 H THR 68 HN THR 68 125.940 -0.197 4.331 434 HA THR 68 HA THR 68 126.242 -1.658 6.760 435 HB THR 68 HB THR 68 128.456 0.108 5.975 436 HG1 THR 68 HG1 THR 68 127.542 -1.870 4.163 437 1HG2 THR 68 HG21 THR 68 128.667 -1.872 7.469 438 2HG2 THR 68 HG22 THR 68 129.767 -1.864 6.092 439 3HG2 THR 68 HG23 THR 68 128.334 -2.889 6.067 440 H ASP 69 HN ASP 69 125.660 1.653 5.999 441 HA ASP 69 HA ASP 69 126.801 3.005 8.116 442 1HB ASP 69 HB2 ASP 69 125.097 3.659 6.053 443 2HB ASP 69 HB1 ASP 69 124.109 3.960 7.479 444 H GLN 70 HN GLN 70 123.983 0.963 8.107 445 HA GLN 70 HA GLN 70 123.207 1.811 10.774 446 1HB GLN 70 HB2 GLN 70 121.569 1.224 8.908 447 2HB GLN 70 HB1 GLN 70 121.995 -0.455 9.209 448 1HG GLN 70 HG2 GLN 70 121.112 -0.387 11.397 449 2HG GLN 70 HG1 GLN 70 120.969 1.370 11.361 450 1HE2 GLN 70 HE21 GLN 70 119.236 -1.362 11.254 451 2HE2 GLN 70 HE22 GLN 70 117.874 -0.834 10.332 452 H VAL 71 HN VAL 71 125.556 -0.132 9.670 453 HA VAL 71 HA VAL 71 125.241 -2.167 11.772 454 HB VAL 71 HB VAL 71 127.143 -2.085 9.426 455 1HG1 VAL 71 HG11 VAL 71 126.727 -4.675 10.648 456 2HG1 VAL 71 HG12 VAL 71 127.368 -3.514 11.808 457 3HG1 VAL 71 HG13 VAL 71 128.233 -3.823 10.303 458 1HG2 VAL 71 HG21 VAL 71 125.748 -3.561 8.295 459 2HG2 VAL 71 HG22 VAL 71 124.620 -2.422 9.029 460 3HG2 VAL 71 HG23 VAL 71 124.871 -4.007 9.758 461 H LEU 72 HN LEU 72 127.942 -0.375 10.272 462 HA LEU 72 HA LEU 72 129.699 -0.621 12.409 463 1HB LEU 72 HB2 LEU 72 130.787 1.447 11.422 464 2HB LEU 72 HB1 LEU 72 130.609 0.067 10.361 465 HG LEU 72 HG LEU 72 128.290 1.588 9.958 466 1HD1 LEU 72 HD11 LEU 72 129.690 3.388 11.157 467 2HD1 LEU 72 HD12 LEU 72 128.912 3.800 9.629 468 3HD1 LEU 72 HD13 LEU 72 130.635 3.426 9.669 469 1HD2 LEU 72 HD21 LEU 72 129.988 0.262 8.424 470 2HD2 LEU 72 HD22 LEU 72 130.617 1.883 8.134 471 3HD2 LEU 72 HD23 LEU 72 128.932 1.513 7.769 472 H SER 73 HN SER 73 126.997 1.484 11.964 473 HA SER 73 HA SER 73 127.735 3.321 14.066 474 1HB SER 73 HB2 SER 73 125.174 2.924 12.537 475 2HB SER 73 HB1 SER 73 125.430 4.190 13.732 476 HG SER 73 HG SER 73 126.828 3.825 11.291 477 H VAL 74 HN VAL 74 126.302 0.253 13.866 478 HA VAL 74 HA VAL 74 125.070 0.554 16.520 479 HB VAL 74 HB VAL 74 124.550 -1.567 14.440 480 1HG1 VAL 74 HG11 VAL 74 122.509 -1.945 15.952 481 2HG1 VAL 74 HG12 VAL 74 123.411 -1.043 17.169 482 3HG1 VAL 74 HG13 VAL 74 124.071 -2.541 16.514 483 1HG2 VAL 74 HG21 VAL 74 122.516 -0.462 13.919 484 2HG2 VAL 74 HG22 VAL 74 123.777 0.770 13.871 485 3HG2 VAL 74 HG23 VAL 74 122.700 0.663 15.264 486 H LEU 75 HN LEU 75 127.628 -0.993 14.768 487 HA LEU 75 HA LEU 75 127.834 -3.153 16.685 488 1HB LEU 75 HB2 LEU 75 129.606 -4.010 15.418 489 2HB LEU 75 HB1 LEU 75 128.460 -3.371 14.258 490 HG LEU 75 HG LEU 75 130.017 -1.248 14.361 491 1HD1 LEU 75 HD11 LEU 75 132.384 -1.925 14.614 492 2HD1 LEU 75 HD12 LEU 75 131.845 -3.492 15.217 493 3HD1 LEU 75 HD13 LEU 75 131.483 -2.027 16.124 494 1HD2 LEU 75 HD21 LEU 75 129.521 -2.770 12.429 495 2HD2 LEU 75 HD22 LEU 75 130.922 -3.727 12.909 496 3HD2 LEU 75 HD23 LEU 75 131.128 -2.046 12.413 497 H LYS 76 HN LYS 76 129.431 -0.054 16.113 498 HA LYS 76 HA LYS 76 130.741 -0.398 18.723 499 1HB LYS 76 HB2 LYS 76 131.914 -0.095 16.111 500 2HB LYS 76 HB1 LYS 76 132.410 1.217 17.168 501 1HG LYS 76 HG2 LYS 76 133.139 -0.468 18.841 502 2HG LYS 76 HG1 LYS 76 132.756 -1.732 17.670 503 1HD LYS 76 HD2 LYS 76 134.323 -0.459 16.083 504 2HD LYS 76 HD1 LYS 76 134.885 0.379 17.531 505 1HE LYS 76 HE2 LYS 76 135.414 -1.813 18.546 506 2HE LYS 76 HE1 LYS 76 134.942 -2.596 17.039 507 1HZ LYS 76 HZ1 LYS 76 137.183 -0.682 17.408 508 2HZ LYS 76 HZ2 LYS 76 136.693 -1.307 15.915 509 3HZ LYS 76 HZ3 LYS 76 137.311 -2.342 17.102 510 H GLY 77 HN GLY 77 130.858 2.183 16.330 511 1HA GLY 77 HA2 GLY 77 128.982 3.898 17.602 512 2HA GLY 77 HA1 GLY 77 130.630 4.322 18.058 513 H GLU 78 HN GLU 78 129.245 3.137 15.039 514 HA GLU 78 HA GLU 78 129.054 4.067 12.978 515 1HB GLU 78 HB2 GLU 78 128.728 6.205 14.403 516 2HB GLU 78 HB1 GLU 78 130.369 6.583 13.902 517 1HG GLU 78 HG2 GLU 78 129.771 7.003 11.761 518 2HG GLU 78 HG1 GLU 78 128.483 5.799 11.770 519 H GLU 79 HN GLU 79 130.866 2.324 13.146 520 HA GLU 79 HA GLU 79 133.547 3.270 12.783 521 1HB GLU 79 HB2 GLU 79 132.964 1.029 13.730 522 2HB GLU 79 HB1 GLU 79 132.423 0.543 12.129 523 1HG GLU 79 HG2 GLU 79 134.567 0.524 11.263 524 2HG GLU 79 HG1 GLU 79 135.195 1.584 12.525 Start of MODEL 19 1 H THR 13 H THR 13 96.647 1.350 -18.327 2 HA THR 13 HA THR 13 97.761 -0.476 -19.150 3 HB THR 13 HB THR 13 99.047 -0.295 -16.470 4 HG1 THR 13 HG1 THR 13 98.272 1.760 -16.588 5 1HG2 THR 13 HG21 THR 13 99.888 -0.420 -19.278 6 2HG2 THR 13 HG22 THR 13 100.667 -1.042 -17.823 7 3HG2 THR 13 HG23 THR 13 100.829 0.661 -18.250 8 H PHE 14 HN PHE 14 99.004 -2.516 -18.493 9 HA PHE 14 HA PHE 14 97.072 -4.414 -17.496 10 1HB PHE 14 HB2 PHE 14 99.073 -4.531 -19.369 11 2HB PHE 14 HB1 PHE 14 99.798 -5.386 -18.010 12 HD1 PHE 14 HD1 PHE 14 96.969 -5.346 -20.363 13 HD2 PHE 14 HD2 PHE 14 99.047 -7.540 -17.368 14 HE1 PHE 14 HE1 PHE 14 95.692 -7.362 -20.961 15 HE2 PHE 14 HE2 PHE 14 97.776 -9.560 -17.961 16 HZ PHE 14 HZ PHE 14 96.096 -9.474 -19.759 17 H LEU 15 HN LEU 15 100.075 -2.967 -16.397 18 HA LEU 15 HA LEU 15 100.540 -4.729 -14.225 19 1HB LEU 15 HB2 LEU 15 101.418 -1.855 -14.408 20 2HB LEU 15 HB1 LEU 15 102.173 -3.147 -13.494 21 HG LEU 15 HG LEU 15 102.035 -3.738 -16.346 22 1HD1 LEU 15 HD11 LEU 15 103.894 -1.509 -15.602 23 2HD1 LEU 15 HD12 LEU 15 102.283 -1.187 -16.243 24 3HD1 LEU 15 HD13 LEU 15 103.448 -2.098 -17.203 25 1HD2 LEU 15 HD21 LEU 15 104.024 -4.741 -15.943 26 2HD2 LEU 15 HD22 LEU 15 103.460 -4.644 -14.274 27 3HD2 LEU 15 HD23 LEU 15 104.593 -3.443 -14.894 28 H THR 16 HN THR 16 99.260 -1.398 -14.274 29 HA THR 16 HA THR 16 98.641 -1.170 -11.589 30 HB THR 16 HB THR 16 98.569 0.719 -13.128 31 HG1 THR 16 HG1 THR 16 96.031 0.258 -11.952 32 1HG2 THR 16 HG21 THR 16 97.538 0.586 -15.073 33 2HG2 THR 16 HG22 THR 16 95.999 0.617 -14.212 34 3HG2 THR 16 HG23 THR 16 96.756 -0.925 -14.612 35 H GLN 17 HN GLN 17 96.969 -2.949 -14.066 36 HA GLN 17 HA GLN 17 94.476 -3.164 -12.724 37 1HB GLN 17 HB2 GLN 17 95.242 -3.718 -15.228 38 2HB GLN 17 HB1 GLN 17 95.339 -5.339 -14.553 39 1HG GLN 17 HG2 GLN 17 93.111 -5.552 -14.393 40 2HG GLN 17 HG1 GLN 17 92.879 -3.871 -13.915 41 1HE2 GLN 17 HE21 GLN 17 91.913 -2.615 -15.334 42 2HE2 GLN 17 HE22 GLN 17 91.817 -2.887 -17.037 43 H VAL 18 HN VAL 18 97.510 -4.697 -12.286 44 HA VAL 18 HA VAL 18 96.291 -6.837 -10.662 45 HB VAL 18 HB VAL 18 99.159 -6.618 -11.585 46 1HG1 VAL 18 HG11 VAL 18 99.218 -9.026 -11.003 47 2HG1 VAL 18 HG12 VAL 18 97.585 -8.879 -10.353 48 3HG1 VAL 18 HG13 VAL 18 98.913 -7.986 -9.611 49 1HG2 VAL 18 HG21 VAL 18 98.692 -7.984 -13.409 50 2HG2 VAL 18 HG22 VAL 18 97.321 -6.875 -13.385 51 3HG2 VAL 18 HG23 VAL 18 97.145 -8.509 -12.745 52 H LYS 19 HN LYS 19 98.548 -4.148 -10.609 53 HA LYS 19 HA LYS 19 99.563 -4.563 -7.996 54 1HB LYS 19 HB2 LYS 19 99.642 -2.459 -10.038 55 2HB LYS 19 HB1 LYS 19 99.712 -1.848 -8.392 56 1HG LYS 19 HG2 LYS 19 101.554 -3.945 -9.526 57 2HG LYS 19 HG1 LYS 19 101.937 -2.228 -9.389 58 1HD LYS 19 HD2 LYS 19 101.174 -3.959 -7.042 59 2HD LYS 19 HD1 LYS 19 102.841 -3.680 -7.547 60 1HE LYS 19 HE2 LYS 19 100.924 -1.457 -6.880 61 2HE LYS 19 HE1 LYS 19 101.989 -2.200 -5.689 62 1HZ LYS 19 HZ1 LYS 19 102.583 -0.171 -7.531 63 2HZ LYS 19 HZ2 LYS 19 103.531 -1.517 -7.918 64 3HZ LYS 19 HZ3 LYS 19 103.596 -0.857 -6.361 65 H GLU 20 HN GLU 20 97.290 -2.093 -9.164 66 HA GLU 20 HA GLU 20 96.407 -1.264 -6.641 67 1HB GLU 20 HB2 GLU 20 95.044 -1.176 -9.337 68 2HB GLU 20 HB1 GLU 20 94.392 -0.403 -7.897 69 1HG GLU 20 HG2 GLU 20 97.152 0.205 -8.890 70 2HG GLU 20 HG1 GLU 20 95.731 1.028 -9.531 71 H SER 21 HN SER 21 95.718 -4.094 -8.453 72 HA SER 21 HA SER 21 93.194 -4.696 -7.247 73 1HB SER 21 HB2 SER 21 94.691 -5.615 -9.404 74 2HB SER 21 HB1 SER 21 94.657 -6.975 -8.287 75 HG SER 21 HG SER 21 92.831 -6.609 -9.900 76 H LEU 22 HN LEU 22 96.434 -6.173 -6.970 77 HA LEU 22 HA LEU 22 95.786 -7.786 -4.754 78 1HB LEU 22 HB2 LEU 22 98.109 -7.198 -6.339 79 2HB LEU 22 HB1 LEU 22 98.545 -7.186 -4.641 80 HG LEU 22 HG LEU 22 96.906 -9.485 -5.485 81 1HD1 LEU 22 HD11 LEU 22 98.104 -9.837 -7.357 82 2HD1 LEU 22 HD12 LEU 22 99.311 -10.445 -6.225 83 3HD1 LEU 22 HD13 LEU 22 99.428 -8.795 -6.835 84 1HD2 LEU 22 HD21 LEU 22 98.697 -10.646 -4.136 85 2HD2 LEU 22 HD22 LEU 22 97.725 -9.460 -3.265 86 3HD2 LEU 22 HD23 LEU 22 99.356 -9.046 -3.795 87 H SER 23 HN SER 23 96.967 -4.507 -5.057 88 HA SER 23 HA SER 23 97.598 -4.140 -2.307 89 1HB SER 23 HB2 SER 23 98.484 -2.711 -4.173 90 2HB SER 23 HB1 SER 23 96.873 -2.010 -4.331 91 H SER 24 HN SER 24 94.768 -3.576 -4.300 92 HA SER 24 HA SER 24 93.194 -2.191 -2.440 93 1HB SER 24 HB2 SER 24 92.595 -3.867 -4.840 94 2HB SER 24 HB1 SER 24 91.277 -3.335 -3.797 95 HG SER 24 HG SER 24 93.204 -1.606 -4.962 96 H TYR 25 HN TYR 25 93.784 -5.625 -2.918 97 HA TYR 25 HA TYR 25 91.759 -6.736 -1.403 98 1HB TYR 25 HB2 TYR 25 93.997 -7.602 -2.729 99 2HB TYR 25 HB1 TYR 25 94.392 -7.979 -1.060 100 HD1 TYR 25 HD1 TYR 25 91.747 -8.459 -3.629 101 HD2 TYR 25 HD2 TYR 25 93.532 -9.915 -0.055 102 HE1 TYR 25 HE1 TYR 25 90.362 -10.486 -3.771 103 HE2 TYR 25 HE2 TYR 25 92.153 -11.946 -0.186 104 HH TYR 25 HH TYR 25 90.725 -13.038 -2.768 105 H TRP 26 HN TRP 26 94.769 -5.242 -0.446 106 HA TRP 26 HA TRP 26 94.149 -5.697 2.391 107 1HB TRP 26 HB2 TRP 26 96.600 -5.598 0.848 108 2HB TRP 26 HB1 TRP 26 96.657 -4.468 2.196 109 HD1 TRP 26 HD1 TRP 26 96.837 -5.467 4.625 110 HE1 TRP 26 HE1 TRP 26 97.232 -7.841 5.535 111 HE3 TRP 26 HE3 TRP 26 96.074 -8.119 0.322 112 HZ2 TRP 26 HZ2 TRP 26 97.221 -10.489 4.556 113 HZ3 TRP 26 HZ3 TRP 26 96.285 -10.568 0.394 114 HH2 TRP 26 HH2 TRP 26 96.846 -11.727 2.468 115 H GLU 27 HN GLU 27 94.111 -3.302 -0.054 116 HA GLU 27 HA GLU 27 94.616 -0.999 1.505 117 1HB GLU 27 HB2 GLU 27 94.146 -1.491 -1.149 118 2HB GLU 27 HB1 GLU 27 92.672 -0.661 -0.671 119 1HG GLU 27 HG2 GLU 27 93.846 1.270 -0.035 120 2HG GLU 27 HG1 GLU 27 95.395 0.428 -0.043 121 H SER 28 HN SER 28 91.642 -2.773 0.765 122 HA SER 28 HA SER 28 89.868 -0.965 2.003 123 1HB SER 28 HB2 SER 28 88.895 -2.558 0.564 124 2HB SER 28 HB1 SER 28 89.683 -3.908 1.377 125 HG SER 28 HG SER 28 88.337 -3.567 3.152 126 H ALA 29 HN ALA 29 91.795 -3.640 3.215 127 HA ALA 29 HA ALA 29 90.647 -3.820 5.785 128 1HB ALA 29 HB1 ALA 29 92.014 -5.616 5.404 129 2HB ALA 29 HB2 ALA 29 93.130 -4.599 6.314 130 3HB ALA 29 HB3 ALA 29 93.223 -4.655 4.554 131 H LYS 30 HN LYS 30 93.083 -1.777 4.345 132 HA LYS 30 HA LYS 30 93.777 -0.463 6.824 133 1HB LYS 30 HB2 LYS 30 94.805 -0.564 4.125 134 2HB LYS 30 HB1 LYS 30 94.648 1.105 4.655 135 1HG LYS 30 HG2 LYS 30 96.699 0.757 5.490 136 2HG LYS 30 HG1 LYS 30 95.813 0.023 6.830 137 1HD LYS 30 HD2 LYS 30 96.265 -1.841 4.644 138 2HD LYS 30 HD1 LYS 30 97.770 -1.187 5.290 139 1HE LYS 30 HE2 LYS 30 97.600 -2.405 7.148 140 2HE LYS 30 HE1 LYS 30 95.931 -1.898 7.406 141 1HZ LYS 30 HZ1 LYS 30 95.769 -3.647 5.326 142 2HZ LYS 30 HZ2 LYS 30 95.409 -3.995 6.942 143 3HZ LYS 30 HZ3 LYS 30 96.943 -4.347 6.323 144 H THR 31 HN THR 31 91.579 -0.020 4.161 145 HA THR 31 HA THR 31 90.998 2.725 4.599 146 HB THR 31 HB THR 31 89.430 0.528 3.242 147 HG1 THR 31 HG1 THR 31 91.468 1.161 2.308 148 1HG2 THR 31 HG21 THR 31 88.127 2.614 4.012 149 2HG2 THR 31 HG22 THR 31 87.959 2.049 2.350 150 3HG2 THR 31 HG23 THR 31 88.999 3.425 2.712 151 H ALA 32 HN ALA 32 89.386 -0.297 5.564 152 HA ALA 32 HA ALA 32 87.212 0.818 6.907 153 1HB ALA 32 HB1 ALA 32 87.657 -1.634 6.328 154 2HB ALA 32 HB2 ALA 32 86.868 -1.296 7.870 155 3HB ALA 32 HB3 ALA 32 88.586 -1.691 7.826 156 H ALA 33 HN ALA 33 90.537 0.671 7.730 157 HA ALA 33 HA ALA 33 90.156 1.140 10.560 158 1HB ALA 33 HB1 ALA 33 92.452 0.969 10.774 159 2HB ALA 33 HB2 ALA 33 92.754 1.565 9.141 160 3HB ALA 33 HB3 ALA 33 92.134 -0.068 9.383 161 H GLN 34 HN GLN 34 90.637 2.985 7.650 162 HA GLN 34 HA GLN 34 91.464 5.412 8.859 163 1HB GLN 34 HB2 GLN 34 91.362 4.530 6.313 164 2HB GLN 34 HB1 GLN 34 89.917 5.532 6.337 165 1HG GLN 34 HG2 GLN 34 92.156 6.896 7.545 166 2HG GLN 34 HG1 GLN 34 92.533 6.359 5.909 167 1HE2 GLN 34 HE21 GLN 34 91.742 8.988 7.386 168 2HE2 GLN 34 HE22 GLN 34 90.628 9.714 6.284 169 H ASN 35 HN ASN 35 88.383 3.925 8.296 170 HA ASN 35 HA ASN 35 86.837 6.291 8.782 171 1HB ASN 35 HB2 ASN 35 86.435 3.757 7.690 172 2HB ASN 35 HB1 ASN 35 85.445 3.775 9.145 173 1HD2 ASN 35 HD21 ASN 35 84.405 6.150 9.360 174 2HD2 ASN 35 HD22 ASN 35 83.505 6.615 7.959 175 H LEU 36 HN LEU 36 87.560 3.306 10.559 176 HA LEU 36 HA LEU 36 86.153 4.104 12.901 177 1HB LEU 36 HB2 LEU 36 87.211 1.789 11.769 178 2HB LEU 36 HB1 LEU 36 88.071 1.993 13.279 179 HG LEU 36 HG LEU 36 85.730 2.275 14.344 180 1HD1 LEU 36 HD11 LEU 36 84.784 0.599 12.071 181 2HD1 LEU 36 HD12 LEU 36 84.770 2.355 11.904 182 3HD1 LEU 36 HD13 LEU 36 83.865 1.586 13.208 183 1HD2 LEU 36 HD21 LEU 36 86.935 -0.274 13.336 184 2HD2 LEU 36 HD22 LEU 36 85.445 -0.291 14.278 185 3HD2 LEU 36 HD23 LEU 36 86.919 0.383 14.973 186 H TYR 37 HN TYR 37 89.502 4.416 11.832 187 HA TYR 37 HA TYR 37 90.064 5.883 14.310 188 1HB TYR 37 HB2 TYR 37 91.074 3.224 13.704 189 2HB TYR 37 HB1 TYR 37 92.370 4.376 14.006 190 HD1 TYR 37 HD1 TYR 37 89.230 3.018 15.452 191 HD2 TYR 37 HD2 TYR 37 92.909 5.020 16.197 192 HE1 TYR 37 HE1 TYR 37 88.837 2.825 17.872 193 HE2 TYR 37 HE2 TYR 37 92.529 4.829 18.619 194 HH TYR 37 HH TYR 37 91.111 3.139 20.135 195 H GLU 38 HN GLU 38 90.228 5.916 11.067 196 HA GLU 38 HA GLU 38 91.327 7.245 9.564 197 1HB GLU 38 HB2 GLU 38 91.208 8.785 11.719 198 2HB GLU 38 HB1 GLU 38 92.947 8.535 11.709 199 1HG GLU 38 HG2 GLU 38 92.971 9.344 9.349 200 2HG GLU 38 HG1 GLU 38 91.268 9.761 9.537 201 H LYS 39 HN LYS 39 92.356 4.681 10.437 202 HA LYS 39 HA LYS 39 94.163 3.342 10.145 203 1HB LYS 39 HB2 LYS 39 94.549 5.592 8.289 204 2HB LYS 39 HB1 LYS 39 95.997 4.656 8.636 205 1HG LYS 39 HG2 LYS 39 95.096 2.704 7.734 206 2HG LYS 39 HG1 LYS 39 93.444 3.316 7.830 207 1HD LYS 39 HD2 LYS 39 94.125 3.351 5.533 208 2HD LYS 39 HD1 LYS 39 94.047 5.017 6.111 209 1HE LYS 39 HE2 LYS 39 96.296 5.312 5.971 210 2HE LYS 39 HE1 LYS 39 96.650 3.630 6.361 211 1HZ LYS 39 HZ1 LYS 39 95.720 4.690 3.749 212 2HZ LYS 39 HZ2 LYS 39 95.883 3.045 4.102 213 3HZ LYS 39 HZ3 LYS 39 97.245 4.045 4.099 214 H THR 40 HN THR 40 94.142 5.566 12.281 215 HA THR 40 HA THR 40 96.946 6.057 12.734 216 HB THR 40 HB THR 40 94.601 6.578 14.566 217 HG1 THR 40 HG1 THR 40 95.740 8.158 12.514 218 1HG2 THR 40 HG21 THR 40 97.215 8.035 14.445 219 2HG2 THR 40 HG22 THR 40 96.891 6.709 15.560 220 3HG2 THR 40 HG23 THR 40 95.933 8.186 15.646 221 H TYR 41 HN TYR 41 94.758 3.570 13.443 222 HA TYR 41 HA TYR 41 95.636 2.686 15.943 223 1HB TYR 41 HB2 TYR 41 93.720 1.919 14.155 224 2HB TYR 41 HB1 TYR 41 94.866 0.589 14.033 225 HD1 TYR 41 HD1 TYR 41 92.005 1.646 15.655 226 HD2 TYR 41 HD2 TYR 41 95.733 -0.229 16.470 227 HE1 TYR 41 HE1 TYR 41 91.047 0.637 17.681 228 HE2 TYR 41 HE2 TYR 41 94.787 -1.242 18.500 229 HH TYR 41 HH TYR 41 92.966 -0.884 20.062 230 H LEU 42 HN LEU 42 96.860 2.058 12.706 231 HA LEU 42 HA LEU 42 99.374 1.170 13.814 232 1HB LEU 42 HB2 LEU 42 97.460 -0.687 12.501 233 2HB LEU 42 HB1 LEU 42 99.164 -0.880 12.133 234 HG LEU 42 HG LEU 42 98.056 -0.886 14.939 235 1HD1 LEU 42 HD11 LEU 42 97.798 -3.146 14.891 236 2HD1 LEU 42 HD12 LEU 42 98.994 -3.369 13.614 237 3HD1 LEU 42 HD13 LEU 42 97.382 -2.775 13.217 238 1HD2 LEU 42 HD21 LEU 42 100.627 -0.512 14.075 239 2HD2 LEU 42 HD22 LEU 42 100.570 -2.253 14.350 240 3HD2 LEU 42 HD23 LEU 42 100.160 -1.140 15.655 241 HA PRO 43 HA PRO 43 99.883 1.540 9.011 242 1HB PRO 43 HB2 PRO 43 97.673 2.243 7.574 243 2HB PRO 43 HB1 PRO 43 98.158 0.569 7.866 244 1HG PRO 43 HG2 PRO 43 96.118 2.227 9.305 245 2HG PRO 43 HG1 PRO 43 96.001 0.547 8.749 246 1HD PRO 43 HD2 PRO 43 96.515 1.142 11.308 247 2HD PRO 43 HD1 PRO 43 97.263 -0.258 10.517 248 H ALA 44 HN ALA 44 99.936 3.560 11.026 249 HA ALA 44 HA ALA 44 100.482 5.831 9.547 250 1HB ALA 44 HB1 ALA 44 97.941 6.320 11.052 251 2HB ALA 44 HB2 ALA 44 97.900 5.755 9.384 252 3HB ALA 44 HB3 ALA 44 98.685 7.283 9.778 253 H VAL 45 HN VAL 45 101.612 4.357 11.643 254 HA VAL 45 HA VAL 45 101.606 6.322 13.850 255 HB VAL 45 HB VAL 45 102.297 3.388 14.069 256 1HG1 VAL 45 HG11 VAL 45 102.607 3.709 16.322 257 2HG1 VAL 45 HG12 VAL 45 101.601 5.157 16.366 258 3HG1 VAL 45 HG13 VAL 45 103.224 5.230 15.680 259 1HG2 VAL 45 HG21 VAL 45 99.842 4.051 13.552 260 2HG2 VAL 45 HG22 VAL 45 99.824 4.612 15.223 261 3HG2 VAL 45 HG23 VAL 45 100.174 2.921 14.864 262 H ASP 46 HN ASP 46 103.719 3.675 12.734 263 HA ASP 46 HA ASP 46 106.078 5.178 13.413 264 1HB ASP 46 HB2 ASP 46 107.274 3.181 12.480 265 2HB ASP 46 HB1 ASP 46 106.133 2.797 13.765 266 H GLU 47 HN GLU 47 104.395 4.241 10.462 267 HA GLU 47 HA GLU 47 106.427 5.301 8.750 268 1HB GLU 47 HB2 GLU 47 103.567 4.654 8.054 269 2HB GLU 47 HB1 GLU 47 104.904 4.853 6.932 270 1HG GLU 47 HG2 GLU 47 105.993 2.880 8.020 271 2HG GLU 47 HG1 GLU 47 104.498 2.637 8.922 272 H LYS 48 HN LYS 48 103.188 6.360 9.739 273 HA LYS 48 HA LYS 48 103.093 8.729 8.275 274 1HB LYS 48 HB2 LYS 48 101.401 7.487 10.003 275 2HB LYS 48 HB1 LYS 48 101.921 8.853 10.980 276 1HG LYS 48 HG2 LYS 48 101.350 9.957 8.499 277 2HG LYS 48 HG1 LYS 48 100.078 8.763 8.759 278 1HD LYS 48 HD2 LYS 48 99.287 9.825 10.656 279 2HD LYS 48 HD1 LYS 48 100.821 10.645 10.959 280 1HE LYS 48 HE2 LYS 48 100.431 12.236 9.287 281 2HE LYS 48 HE1 LYS 48 99.169 11.262 8.532 282 1HZ LYS 48 HZ1 LYS 48 98.616 11.993 11.265 283 2HZ LYS 48 HZ2 LYS 48 97.623 12.081 9.900 284 3HZ LYS 48 HZ3 LYS 48 98.733 13.316 10.217 285 H LEU 49 HN LEU 49 104.762 7.929 11.221 286 HA LEU 49 HA LEU 49 105.486 10.708 11.682 287 1HB LEU 49 HB2 LEU 49 105.906 10.140 13.823 288 2HB LEU 49 HB1 LEU 49 104.872 8.783 13.424 289 HG LEU 49 HG LEU 49 107.070 7.547 12.854 290 1HD1 LEU 49 HD11 LEU 49 108.786 8.585 14.655 291 2HD1 LEU 49 HD12 LEU 49 108.045 10.061 14.036 292 3HD1 LEU 49 HD13 LEU 49 108.837 8.943 12.929 293 1HD2 LEU 49 HD21 LEU 49 105.976 8.216 15.546 294 2HD2 LEU 49 HD22 LEU 49 107.430 7.226 15.426 295 3HD2 LEU 49 HD23 LEU 49 105.933 6.692 14.661 296 H ARG 50 HN ARG 50 106.747 7.913 10.111 297 HA ARG 50 HA ARG 50 108.947 9.310 9.089 298 1HB ARG 50 HB2 ARG 50 110.818 8.179 10.193 299 2HB ARG 50 HB1 ARG 50 109.883 9.136 11.330 300 1HG ARG 50 HG2 ARG 50 108.739 7.055 12.055 301 2HG ARG 50 HG1 ARG 50 109.818 6.144 10.999 302 1HD ARG 50 HD2 ARG 50 111.575 7.674 12.416 303 2HD ARG 50 HD1 ARG 50 110.324 7.360 13.615 304 HE ARG 50 HE ARG 50 110.682 4.919 12.850 305 1HH1 ARG 50 HH11 ARG 50 113.188 7.342 13.143 306 2HH1 ARG 50 HH12 ARG 50 114.435 6.185 13.452 307 1HH2 ARG 50 HH21 ARG 50 112.329 3.406 13.264 308 2HH2 ARG 50 HH22 ARG 50 113.951 3.956 13.522 309 H ASP 51 HN ASP 51 108.742 8.492 7.154 310 HA ASP 51 HA ASP 51 109.690 5.939 6.508 311 1HB ASP 51 HB2 ASP 51 106.874 6.037 7.138 312 2HB ASP 51 HB1 ASP 51 107.113 5.575 5.458 313 H LEU 52 HN LEU 52 107.104 8.067 5.271 314 HA LEU 52 HA LEU 52 107.636 7.904 2.591 315 1HB LEU 52 HB2 LEU 52 106.865 10.367 2.523 316 2HB LEU 52 HB1 LEU 52 105.753 9.146 3.110 317 HG LEU 52 HG LEU 52 107.108 10.051 5.392 318 1HD1 LEU 52 HD11 LEU 52 107.578 11.991 3.602 319 2HD1 LEU 52 HD12 LEU 52 107.338 12.294 5.323 320 3HD1 LEU 52 HD13 LEU 52 106.000 12.507 4.195 321 1HD2 LEU 52 HD21 LEU 52 104.748 9.336 5.185 322 2HD2 LEU 52 HD22 LEU 52 104.386 10.861 4.378 323 3HD2 LEU 52 HD23 LEU 52 104.934 10.860 6.054 324 H TYR 53 HN TYR 53 109.446 9.555 5.037 325 HA TYR 53 HA TYR 53 111.195 10.876 3.090 326 1HB TYR 53 HB2 TYR 53 110.266 11.728 5.475 327 2HB TYR 53 HB1 TYR 53 111.776 10.985 5.998 328 HD1 TYR 53 HD1 TYR 53 113.740 12.222 5.893 329 HD2 TYR 53 HD2 TYR 53 110.449 13.373 3.458 330 HE1 TYR 53 HE1 TYR 53 114.985 14.212 5.161 331 HE2 TYR 53 HE2 TYR 53 111.684 15.368 2.720 332 HH TYR 53 HH TYR 53 115.029 15.797 3.363 333 H SER 54 HN SER 54 111.506 8.708 5.905 334 HA SER 54 HA SER 54 114.217 8.018 5.196 335 1HB SER 54 HB2 SER 54 113.909 6.400 7.188 336 2HB SER 54 HB1 SER 54 113.896 8.133 7.510 337 HG SER 54 HG SER 54 112.150 7.318 8.560 338 H LYS 55 HN LYS 55 111.963 7.218 3.370 339 HA LYS 55 HA LYS 55 112.912 4.516 2.948 340 1HB LYS 55 HB2 LYS 55 110.142 5.122 3.813 341 2HB LYS 55 HB1 LYS 55 110.318 3.967 2.504 342 1HG LYS 55 HG2 LYS 55 112.057 3.556 4.850 343 2HG LYS 55 HG1 LYS 55 110.330 3.285 5.089 344 1HD LYS 55 HD2 LYS 55 110.326 1.751 3.162 345 2HD LYS 55 HD1 LYS 55 112.065 1.994 2.984 346 1HE LYS 55 HE2 LYS 55 111.599 -0.077 4.178 347 2HE LYS 55 HE1 LYS 55 112.424 1.078 5.223 348 1HZ LYS 55 HZ1 LYS 55 109.638 1.421 5.468 349 2HZ LYS 55 HZ2 LYS 55 110.754 0.957 6.652 350 3HZ LYS 55 HZ3 LYS 55 110.007 -0.216 5.688 351 H SER 56 HN SER 56 110.742 7.106 1.862 352 HA SER 56 HA SER 56 111.071 6.214 -0.902 353 1HB SER 56 HB2 SER 56 109.451 8.609 -0.105 354 2HB SER 56 HB1 SER 56 109.220 7.511 -1.463 355 HG SER 56 HG SER 56 108.825 6.871 1.276 356 H THR 57 HN THR 57 112.395 8.488 1.275 357 HA THR 57 HA THR 57 113.524 10.028 -0.968 358 HB THR 57 HB THR 57 113.189 10.859 1.918 359 HG1 THR 57 HG1 THR 57 111.241 11.100 1.050 360 1HG2 THR 57 HG21 THR 57 114.108 12.530 -0.403 361 2HG2 THR 57 HG22 THR 57 115.162 11.888 0.858 362 3HG2 THR 57 HG23 THR 57 113.899 13.050 1.269 363 H ALA 58 HN ALA 58 114.248 7.829 1.536 364 HA ALA 58 HA ALA 58 117.125 8.431 1.290 365 1HB ALA 58 HB1 ALA 58 117.269 7.064 3.458 366 2HB ALA 58 HB2 ALA 58 115.527 7.318 3.570 367 3HB ALA 58 HB3 ALA 58 116.621 8.701 3.552 368 H ALA 59 HN ALA 59 114.725 5.838 1.438 369 HA ALA 59 HA ALA 59 116.701 3.849 0.697 370 1HB ALA 59 HB1 ALA 59 114.469 3.659 2.178 371 2HB ALA 59 HB2 ALA 59 115.199 2.290 1.342 372 3HB ALA 59 HB3 ALA 59 113.837 3.142 0.615 373 H MET 60 HN MET 60 115.337 6.199 -1.027 374 HA MET 60 HA MET 60 115.144 4.525 -3.443 375 1HB MET 60 HB2 MET 60 113.505 6.967 -2.754 376 2HB MET 60 HB1 MET 60 113.506 6.183 -4.328 377 1HG MET 60 HG2 MET 60 112.802 4.071 -3.102 378 2HG MET 60 HG1 MET 60 112.487 5.118 -1.719 379 1HE MET 60 HE1 MET 60 111.132 3.414 -4.635 380 2HE MET 60 HE2 MET 60 111.601 4.781 -5.646 381 3HE MET 60 HE3 MET 60 109.895 4.445 -5.355 382 H SER 61 HN SER 61 116.174 7.551 -2.008 383 HA SER 61 HA SER 61 117.300 8.530 -4.487 384 1HB SER 61 HB2 SER 61 116.389 10.197 -3.023 385 2HB SER 61 HB1 SER 61 117.334 9.598 -1.660 386 HG SER 61 HG SER 61 118.491 10.642 -4.026 387 H THR 62 HN THR 62 118.380 6.920 -1.575 388 HA THR 62 HA THR 62 121.182 7.231 -2.311 389 HB THR 62 HB THR 62 120.151 5.604 -0.001 390 HG1 THR 62 HG1 THR 62 120.461 8.413 -0.154 391 1HG2 THR 62 HG21 THR 62 122.650 7.245 -0.329 392 2HG2 THR 62 HG22 THR 62 122.548 5.487 -0.441 393 3HG2 THR 62 HG23 THR 62 122.199 6.295 1.087 394 H TYR 63 HN TYR 63 118.847 5.309 -3.443 395 HA TYR 63 HA TYR 63 119.979 2.712 -3.214 396 1HB TYR 63 HB2 TYR 63 117.622 3.877 -4.172 397 2HB TYR 63 HB1 TYR 63 118.357 3.089 -5.560 398 HD1 TYR 63 HD1 TYR 63 117.916 2.275 -1.935 399 HD2 TYR 63 HD2 TYR 63 117.535 0.972 -5.967 400 HE1 TYR 63 HE1 TYR 63 117.068 0.105 -1.147 401 HE2 TYR 63 HE2 TYR 63 116.683 -1.201 -5.191 402 HH TYR 63 HH TYR 63 115.927 -1.790 -1.829 403 H THR 64 HN THR 64 120.334 5.397 -5.420 404 HA THR 64 HA THR 64 121.494 4.141 -7.611 405 HB THR 64 HB THR 64 120.951 6.450 -7.811 406 HG1 THR 64 HG1 THR 64 122.983 5.708 -8.803 407 1HG2 THR 64 HG21 THR 64 122.680 6.832 -5.406 408 2HG2 THR 64 HG22 THR 64 121.035 7.395 -5.705 409 3HG2 THR 64 HG23 THR 64 122.391 8.152 -6.539 410 H GLY 65 HN GLY 65 122.685 4.708 -4.458 411 1HA GLY 65 HA2 GLY 65 125.447 4.117 -5.194 412 2HA GLY 65 HA1 GLY 65 124.874 4.589 -3.600 413 H ILE 66 HN ILE 66 122.630 2.545 -3.936 414 HA ILE 66 HA ILE 66 124.183 0.302 -2.910 415 HB ILE 66 HB ILE 66 121.182 0.559 -3.006 416 1HG1 ILE 66 HG12 ILE 66 122.165 2.438 -1.750 417 2HG1 ILE 66 HG11 ILE 66 121.299 1.334 -0.687 418 1HG2 ILE 66 HG21 ILE 66 121.836 -1.695 -2.668 419 2HG2 ILE 66 HG22 ILE 66 121.364 -1.063 -1.091 420 3HG2 ILE 66 HG23 ILE 66 123.071 -1.232 -1.498 421 1HD1 ILE 66 HD11 ILE 66 123.829 2.296 -0.294 422 2HD1 ILE 66 HD12 ILE 66 124.123 0.686 -0.952 423 3HD1 ILE 66 HD13 ILE 66 123.130 0.881 0.492 424 H PHE 67 HN PHE 67 122.840 1.290 -5.817 425 HA PHE 67 HA PHE 67 121.880 -1.150 -6.853 426 1HB PHE 67 HB2 PHE 67 121.942 1.476 -7.648 427 2HB PHE 67 HB1 PHE 67 123.048 0.713 -8.781 428 HD1 PHE 67 HD1 PHE 67 119.640 0.326 -7.342 429 HD2 PHE 67 HD2 PHE 67 122.208 -0.331 -10.672 430 HE1 PHE 67 HE1 PHE 67 117.723 -0.480 -8.657 431 HE2 PHE 67 HE2 PHE 67 120.295 -1.137 -11.993 432 HZ PHE 67 HZ PHE 67 118.049 -1.211 -10.986 433 H THR 68 HN THR 68 124.969 0.532 -7.243 434 HA THR 68 HA THR 68 126.162 -1.715 -8.612 435 HB THR 68 HB THR 68 128.054 0.275 -7.681 436 HG1 THR 68 HG1 THR 68 126.554 1.818 -7.704 437 1HG2 THR 68 HG21 THR 68 127.080 -0.497 -10.417 438 2HG2 THR 68 HG22 THR 68 128.538 -1.062 -9.602 439 3HG2 THR 68 HG23 THR 68 128.404 0.624 -10.101 440 H ASP 69 HN ASP 69 125.977 -0.474 -5.379 441 HA ASP 69 HA ASP 69 128.246 -1.607 -4.230 442 1HB ASP 69 HB2 ASP 69 126.025 -0.201 -3.323 443 2HB ASP 69 HB1 ASP 69 125.935 -1.736 -2.467 444 H GLN 70 HN GLN 70 125.388 -3.114 -5.408 445 HA GLN 70 HA GLN 70 125.996 -5.594 -3.972 446 1HB GLN 70 HB2 GLN 70 123.580 -4.676 -5.522 447 2HB GLN 70 HB1 GLN 70 123.788 -6.343 -5.003 448 1HG GLN 70 HG2 GLN 70 124.202 -5.119 -2.667 449 2HG GLN 70 HG1 GLN 70 123.150 -3.928 -3.430 450 1HE2 GLN 70 HE21 GLN 70 121.307 -5.201 -4.723 451 2HE2 GLN 70 HE22 GLN 70 120.427 -6.308 -3.732 452 H VAL 71 HN VAL 71 127.283 -4.296 -6.518 453 HA VAL 71 HA VAL 71 126.972 -6.563 -8.358 454 HB VAL 71 HB VAL 71 128.331 -3.893 -8.759 455 1HG1 VAL 71 HG11 VAL 71 127.637 -5.910 -10.883 456 2HG1 VAL 71 HG12 VAL 71 129.219 -5.849 -10.105 457 3HG1 VAL 71 HG13 VAL 71 128.639 -4.467 -11.033 458 1HG2 VAL 71 HG21 VAL 71 126.439 -3.247 -10.050 459 2HG2 VAL 71 HG22 VAL 71 125.836 -3.859 -8.509 460 3HG2 VAL 71 HG23 VAL 71 125.745 -4.867 -9.954 461 H LEU 72 HN LEU 72 129.711 -4.504 -7.341 462 HA LEU 72 HA LEU 72 131.610 -6.540 -7.851 463 1HB LEU 72 HB2 LEU 72 133.002 -4.914 -6.241 464 2HB LEU 72 HB1 LEU 72 132.742 -4.580 -7.938 465 HG LEU 72 HG LEU 72 130.560 -3.419 -6.552 466 1HD1 LEU 72 HD11 LEU 72 132.456 -1.806 -5.346 467 2HD1 LEU 72 HD12 LEU 72 132.957 -3.447 -4.944 468 3HD1 LEU 72 HD13 LEU 72 131.332 -2.900 -4.540 469 1HD2 LEU 72 HD21 LEU 72 131.161 -2.306 -8.446 470 2HD2 LEU 72 HD22 LEU 72 132.886 -2.525 -8.159 471 3HD2 LEU 72 HD23 LEU 72 131.991 -1.306 -7.253 472 H SER 73 HN SER 73 129.605 -5.661 -5.209 473 HA SER 73 HA SER 73 131.079 -7.017 -3.187 474 1HB SER 73 HB2 SER 73 129.370 -6.409 -1.729 475 2HB SER 73 HB1 SER 73 129.369 -5.114 -2.924 476 HG SER 73 HG SER 73 127.531 -7.197 -2.546 477 H VAL 74 HN VAL 74 128.994 -8.017 -5.679 478 HA VAL 74 HA VAL 74 128.561 -10.606 -4.338 479 HB VAL 74 HB VAL 74 126.885 -9.437 -6.553 480 1HG1 VAL 74 HG11 VAL 74 125.305 -11.203 -5.953 481 2HG1 VAL 74 HG12 VAL 74 126.421 -11.791 -4.722 482 3HG1 VAL 74 HG13 VAL 74 126.863 -11.879 -6.427 483 1HG2 VAL 74 HG21 VAL 74 126.832 -8.177 -4.346 484 2HG2 VAL 74 HG22 VAL 74 126.099 -9.625 -3.656 485 3HG2 VAL 74 HG23 VAL 74 125.285 -8.759 -4.960 486 H LEU 75 HN LEU 75 129.901 -9.012 -7.131 487 HA LEU 75 HA LEU 75 130.404 -11.684 -8.298 488 1HB LEU 75 HB2 LEU 75 130.227 -10.853 -10.461 489 2HB LEU 75 HB1 LEU 75 128.905 -10.097 -9.595 490 HG LEU 75 HG LEU 75 130.596 -8.118 -9.308 491 1HD1 LEU 75 HD11 LEU 75 131.859 -9.842 -11.363 492 2HD1 LEU 75 HD12 LEU 75 132.595 -8.753 -10.187 493 3HD1 LEU 75 HD13 LEU 75 131.853 -8.103 -11.648 494 1HD2 LEU 75 HD21 LEU 75 128.537 -7.866 -10.487 495 2HD2 LEU 75 HD22 LEU 75 129.137 -8.811 -11.850 496 3HD2 LEU 75 HD23 LEU 75 129.818 -7.220 -11.513 497 H LYS 76 HN LYS 76 131.938 -9.020 -6.862 498 HA LYS 76 HA LYS 76 134.467 -9.673 -8.240 499 1HB LYS 76 HB2 LYS 76 133.268 -7.220 -7.340 500 2HB LYS 76 HB1 LYS 76 134.847 -7.427 -6.602 501 1HG LYS 76 HG2 LYS 76 134.360 -7.658 -9.562 502 2HG LYS 76 HG1 LYS 76 134.828 -6.156 -8.761 503 1HD LYS 76 HD2 LYS 76 136.718 -7.774 -7.777 504 2HD LYS 76 HD1 LYS 76 136.412 -8.599 -9.306 505 1HE LYS 76 HE2 LYS 76 137.098 -6.784 -10.573 506 2HE LYS 76 HE1 LYS 76 136.824 -5.639 -9.260 507 1HZ LYS 76 HZ1 LYS 76 139.175 -7.148 -9.904 508 2HZ LYS 76 HZ2 LYS 76 138.739 -7.302 -8.277 509 3HZ LYS 76 HZ3 LYS 76 139.010 -5.769 -8.937 510 H GLY 77 HN GLY 77 132.783 -10.312 -5.451 511 1HA GLY 77 HA2 GLY 77 133.668 -11.785 -3.790 512 2HA GLY 77 HA1 GLY 77 135.260 -11.083 -4.067 513 H GLU 78 HN GLU 78 132.118 -9.568 -3.494 514 HA GLU 78 HA GLU 78 131.384 -8.104 -1.937 515 1HB GLU 78 HB2 GLU 78 132.369 -10.073 -0.515 516 2HB GLU 78 HB1 GLU 78 133.571 -8.870 -0.064 517 1HG GLU 78 HG2 GLU 78 131.709 -7.377 0.648 518 2HG GLU 78 HG1 GLU 78 130.593 -8.707 0.343 519 H GLU 79 HN GLU 79 132.685 -6.779 -3.800 520 HA GLU 79 HA GLU 79 133.873 -4.888 -4.239 521 1HB GLU 79 HB2 GLU 79 132.527 -4.074 -2.284 522 2HB GLU 79 HB1 GLU 79 133.891 -4.472 -1.249 523 1HG GLU 79 HG2 GLU 79 135.260 -2.918 -2.719 524 2HG GLU 79 HG1 GLU 79 133.720 -2.368 -3.378 Start of MODEL 20 1 H THR 13 H THR 13 102.006 -16.676 3.395 2 HA THR 13 HA THR 13 101.945 -17.124 5.622 3 HB THR 13 HB THR 13 101.803 -14.114 5.478 4 HG1 THR 13 HG1 THR 13 103.857 -15.852 4.592 5 1HG2 THR 13 HG21 THR 13 102.384 -14.485 7.633 6 2HG2 THR 13 HG22 THR 13 103.984 -14.582 6.897 7 3HG2 THR 13 HG23 THR 13 103.103 -16.059 7.289 8 H PHE 14 HN PHE 14 99.222 -15.312 4.553 9 HA PHE 14 HA PHE 14 97.128 -15.039 5.363 10 1HB PHE 14 HB2 PHE 14 97.149 -17.365 5.911 11 2HB PHE 14 HB1 PHE 14 98.098 -17.074 7.361 12 HD1 PHE 14 HD1 PHE 14 97.016 -16.934 9.391 13 HD2 PHE 14 HD2 PHE 14 94.836 -16.135 5.825 14 HE1 PHE 14 HE1 PHE 14 94.949 -16.721 10.707 15 HE2 PHE 14 HE2 PHE 14 92.765 -15.920 7.135 16 HZ PHE 14 HZ PHE 14 92.819 -16.213 9.580 17 H LEU 15 HN LEU 15 99.864 -14.345 7.321 18 HA LEU 15 HA LEU 15 98.345 -12.928 9.340 19 1HB LEU 15 HB2 LEU 15 101.318 -13.156 8.859 20 2HB LEU 15 HB1 LEU 15 100.594 -12.303 10.209 21 HG LEU 15 HG LEU 15 100.451 -15.268 9.667 22 1HD1 LEU 15 HD11 LEU 15 102.132 -15.519 11.111 23 2HD1 LEU 15 HD12 LEU 15 101.464 -14.332 12.231 24 3HD1 LEU 15 HD13 LEU 15 102.441 -13.800 10.863 25 1HD2 LEU 15 HD21 LEU 15 99.118 -13.589 11.782 26 2HD2 LEU 15 HD22 LEU 15 99.292 -15.341 11.883 27 3HD2 LEU 15 HD23 LEU 15 98.344 -14.622 10.581 28 H THR 16 HN THR 16 100.665 -12.139 6.765 29 HA THR 16 HA THR 16 100.481 -9.333 7.069 30 HB THR 16 HB THR 16 101.129 -10.574 4.426 31 HG1 THR 16 HG1 THR 16 102.798 -10.702 6.714 32 1HG2 THR 16 HG21 THR 16 101.391 -8.050 5.272 33 2HG2 THR 16 HG22 THR 16 102.458 -8.796 4.082 34 3HG2 THR 16 HG23 THR 16 102.953 -8.698 5.772 35 H GLN 17 HN GLN 17 98.581 -11.683 5.329 36 HA GLN 17 HA GLN 17 97.272 -9.937 3.547 37 1HB GLN 17 HB2 GLN 17 97.317 -12.512 3.568 38 2HB GLN 17 HB1 GLN 17 95.995 -12.394 4.721 39 1HG GLN 17 HG2 GLN 17 94.513 -11.643 3.163 40 2HG GLN 17 HG1 GLN 17 95.763 -10.881 2.180 41 1HE2 GLN 17 HE21 GLN 17 93.624 -12.610 1.320 42 2HE2 GLN 17 HE22 GLN 17 94.362 -13.981 0.573 43 H VAL 18 HN VAL 18 96.714 -10.758 6.899 44 HA VAL 18 HA VAL 18 94.162 -9.373 6.984 45 HB VAL 18 HB VAL 18 95.761 -10.500 9.287 46 1HG1 VAL 18 HG11 VAL 18 92.915 -9.566 9.004 47 2HG1 VAL 18 HG12 VAL 18 94.151 -8.983 10.119 48 3HG1 VAL 18 HG13 VAL 18 93.459 -10.591 10.333 49 1HG2 VAL 18 HG21 VAL 18 93.409 -11.987 8.376 50 2HG2 VAL 18 HG22 VAL 18 95.004 -12.567 8.858 51 3HG2 VAL 18 HG23 VAL 18 94.741 -11.967 7.220 52 H LYS 19 HN LYS 19 97.489 -8.878 8.017 53 HA LYS 19 HA LYS 19 97.084 -6.561 9.579 54 1HB LYS 19 HB2 LYS 19 99.177 -8.124 9.248 55 2HB LYS 19 HB1 LYS 19 99.574 -6.969 7.983 56 1HG LYS 19 HG2 LYS 19 100.675 -5.974 9.685 57 2HG LYS 19 HG1 LYS 19 99.088 -5.253 9.962 58 1HD LYS 19 HD2 LYS 19 99.565 -7.868 11.244 59 2HD LYS 19 HD1 LYS 19 100.514 -6.516 11.868 60 1HE LYS 19 HE2 LYS 19 97.653 -5.967 11.441 61 2HE LYS 19 HE1 LYS 19 98.016 -7.143 12.704 62 1HZ LYS 19 HZ1 LYS 19 99.778 -5.221 13.268 63 2HZ LYS 19 HZ2 LYS 19 98.235 -5.308 13.955 64 3HZ LYS 19 HZ3 LYS 19 98.516 -4.290 12.635 65 H GLU 20 HN GLU 20 98.407 -6.868 6.295 66 HA GLU 20 HA GLU 20 98.387 -4.157 5.655 67 1HB GLU 20 HB2 GLU 20 98.401 -6.685 4.073 68 2HB GLU 20 HB1 GLU 20 98.069 -5.183 3.222 69 1HG GLU 20 HG2 GLU 20 100.418 -5.241 5.024 70 2HG GLU 20 HG1 GLU 20 100.519 -6.151 3.518 71 H SER 21 HN SER 21 95.796 -6.381 5.967 72 HA SER 21 HA SER 21 93.939 -5.036 4.259 73 1HB SER 21 HB2 SER 21 94.073 -7.467 5.612 74 2HB SER 21 HB1 SER 21 92.750 -6.606 6.390 75 HG SER 21 HG SER 21 91.654 -6.552 4.518 76 H LEU 22 HN LEU 22 94.165 -5.358 7.803 77 HA LEU 22 HA LEU 22 92.218 -3.387 8.346 78 1HB LEU 22 HB2 LEU 22 93.024 -5.197 9.914 79 2HB LEU 22 HB1 LEU 22 94.467 -4.232 10.168 80 HG LEU 22 HG LEU 22 92.854 -2.358 10.891 81 1HD1 LEU 22 HD11 LEU 22 91.037 -4.715 10.719 82 2HD1 LEU 22 HD12 LEU 22 90.738 -3.027 10.305 83 3HD1 LEU 22 HD13 LEU 22 90.793 -3.524 11.996 84 1HD2 LEU 22 HD21 LEU 22 93.580 -4.826 12.398 85 2HD2 LEU 22 HD22 LEU 22 92.547 -3.621 13.169 86 3HD2 LEU 22 HD23 LEU 22 94.155 -3.170 12.599 87 H SER 23 HN SER 23 95.684 -3.283 7.879 88 HA SER 23 HA SER 23 96.000 -0.588 8.782 89 1HB SER 23 HB2 SER 23 97.713 -2.686 7.647 90 2HB SER 23 HB1 SER 23 98.163 -1.054 7.152 91 H SER 24 HN SER 24 95.351 -2.137 5.716 92 HA SER 24 HA SER 24 95.834 0.137 4.087 93 1HB SER 24 HB2 SER 24 94.400 -2.460 3.699 94 2HB SER 24 HB1 SER 24 94.210 -1.173 2.510 95 HG SER 24 HG SER 24 96.357 -1.259 2.060 96 H TYR 25 HN TYR 25 93.076 -1.037 5.896 97 HA TYR 25 HA TYR 25 91.020 0.437 4.766 98 1HB TYR 25 HB2 TYR 25 91.372 -1.253 6.906 99 2HB TYR 25 HB1 TYR 25 90.960 0.267 7.687 100 HD1 TYR 25 HD1 TYR 25 88.720 0.915 7.867 101 HD2 TYR 25 HD2 TYR 25 89.797 -2.064 5.028 102 HE1 TYR 25 HE1 TYR 25 86.340 0.518 7.390 103 HE2 TYR 25 HE2 TYR 25 87.421 -2.469 4.542 104 HH TYR 25 HH TYR 25 85.101 -1.983 6.172 105 H TRP 26 HN TRP 26 93.520 1.322 7.042 106 HA TRP 26 HA TRP 26 92.517 4.086 7.171 107 1HB TRP 26 HB2 TRP 26 93.132 2.635 9.260 108 2HB TRP 26 HB1 TRP 26 94.790 3.036 8.828 109 HD1 TRP 26 HD1 TRP 26 91.641 5.315 8.895 110 HE1 TRP 26 HE1 TRP 26 92.182 7.361 10.359 111 HE3 TRP 26 HE3 TRP 26 96.349 4.012 10.410 112 HZ2 TRP 26 HZ2 TRP 26 94.317 8.297 11.949 113 HZ3 TRP 26 HZ3 TRP 26 97.571 5.538 11.903 114 HH2 TRP 26 HH2 TRP 26 96.576 7.636 12.656 115 H GLU 27 HN GLU 27 94.908 2.135 5.695 116 HA GLU 27 HA GLU 27 97.046 3.954 5.504 117 1HB GLU 27 HB2 GLU 27 97.070 1.493 4.901 118 2HB GLU 27 HB1 GLU 27 96.285 1.938 3.392 119 1HG GLU 27 HG2 GLU 27 98.195 3.388 2.852 120 2HG GLU 27 HG1 GLU 27 98.986 2.867 4.340 121 H SER 28 HN SER 28 94.130 3.551 3.563 122 HA SER 28 HA SER 28 94.854 5.273 1.457 123 1HB SER 28 HB2 SER 28 93.007 4.009 0.917 124 2HB SER 28 HB1 SER 28 92.274 4.192 2.509 125 HG SER 28 HG SER 28 92.422 6.139 0.450 126 H ALA 29 HN ALA 29 93.235 5.836 4.544 127 HA ALA 29 HA ALA 29 92.648 8.567 4.139 128 1HB ALA 29 HB1 ALA 29 93.315 7.422 6.833 129 2HB ALA 29 HB2 ALA 29 91.823 6.984 6.002 130 3HB ALA 29 HB3 ALA 29 92.138 8.669 6.418 131 H LYS 30 HN LYS 30 95.496 6.825 5.083 132 HA LYS 30 HA LYS 30 96.977 9.197 5.827 133 1HB LYS 30 HB2 LYS 30 97.885 6.337 5.439 134 2HB LYS 30 HB1 LYS 30 98.876 7.636 6.089 135 1HG LYS 30 HG2 LYS 30 97.402 7.844 8.000 136 2HG LYS 30 HG1 LYS 30 96.336 6.605 7.335 137 1HD LYS 30 HD2 LYS 30 97.667 5.503 8.942 138 2HD LYS 30 HD1 LYS 30 98.346 5.056 7.376 139 1HE LYS 30 HE2 LYS 30 100.324 5.829 8.020 140 2HE LYS 30 HE1 LYS 30 99.629 7.437 8.219 141 1HZ LYS 30 HZ1 LYS 30 100.522 6.911 10.290 142 2HZ LYS 30 HZ2 LYS 30 99.959 5.316 10.250 143 3HZ LYS 30 HZ3 LYS 30 98.870 6.591 10.478 144 H THR 31 HN THR 31 96.349 7.313 3.003 145 HA THR 31 HA THR 31 98.649 7.951 1.500 146 HB THR 31 HB THR 31 95.845 7.250 0.624 147 HG1 THR 31 HG1 THR 31 96.768 5.185 0.349 148 1HG2 THR 31 HG21 THR 31 98.134 6.654 -1.120 149 2HG2 THR 31 HG22 THR 31 97.617 8.338 -1.041 150 3HG2 THR 31 HG23 THR 31 96.472 7.086 -1.521 151 H ALA 32 HN ALA 32 95.457 9.475 1.782 152 HA ALA 32 HA ALA 32 95.812 11.465 -0.152 153 1HB ALA 32 HB1 ALA 32 94.019 11.053 2.156 154 2HB ALA 32 HB2 ALA 32 93.641 11.474 0.485 155 3HB ALA 32 HB3 ALA 32 94.202 12.718 1.602 156 H ALA 33 HN ALA 33 97.216 11.043 2.931 157 HA ALA 33 HA ALA 33 97.946 13.826 3.287 158 1HB ALA 33 HB1 ALA 33 97.549 11.809 5.052 159 2HB ALA 33 HB2 ALA 33 98.475 13.267 5.404 160 3HB ALA 33 HB3 ALA 33 99.307 11.790 4.917 161 H GLN 34 HN GLN 34 99.289 10.889 1.991 162 HA GLN 34 HA GLN 34 102.016 11.663 1.998 163 1HB GLN 34 HB2 GLN 34 100.383 9.537 0.739 164 2HB GLN 34 HB1 GLN 34 101.895 9.929 -0.069 165 1HG GLN 34 HG2 GLN 34 103.173 9.347 1.817 166 2HG GLN 34 HG1 GLN 34 101.757 9.318 2.866 167 1HE2 GLN 34 HE21 GLN 34 102.561 7.196 3.456 168 2HE2 GLN 34 HE22 GLN 34 102.162 5.836 2.468 169 H ASN 35 HN ASN 35 99.351 12.121 -0.255 170 HA ASN 35 HA ASN 35 100.701 12.967 -2.512 171 1HB ASN 35 HB2 ASN 35 98.101 12.719 -1.747 172 2HB ASN 35 HB1 ASN 35 98.256 14.469 -1.860 173 1HD2 ASN 35 HD21 ASN 35 97.556 15.172 -3.738 174 2HD2 ASN 35 HD22 ASN 35 97.799 14.413 -5.271 175 H LEU 36 HN LEU 36 99.287 15.087 0.007 176 HA LEU 36 HA LEU 36 100.455 17.458 -0.895 177 1HB LEU 36 HB2 LEU 36 98.726 16.644 1.086 178 2HB LEU 36 HB1 LEU 36 100.101 17.243 1.994 179 HG LEU 36 HG LEU 36 99.925 19.390 0.694 180 1HD1 LEU 36 HD11 LEU 36 97.172 18.490 -0.067 181 2HD1 LEU 36 HD12 LEU 36 98.547 18.214 -1.136 182 3HD1 LEU 36 HD13 LEU 36 98.106 19.858 -0.674 183 1HD2 LEU 36 HD21 LEU 36 97.719 18.434 2.489 184 2HD2 LEU 36 HD22 LEU 36 97.775 20.092 1.889 185 3HD2 LEU 36 HD23 LEU 36 99.094 19.466 2.879 186 H TYR 37 HN TYR 37 101.658 14.834 1.025 187 HA TYR 37 HA TYR 37 103.998 16.218 2.006 188 1HB TYR 37 HB2 TYR 37 102.679 13.658 2.410 189 2HB TYR 37 HB1 TYR 37 104.424 13.482 2.275 190 HD1 TYR 37 HD1 TYR 37 105.698 13.718 4.189 191 HD2 TYR 37 HD2 TYR 37 101.895 15.618 4.008 192 HE1 TYR 37 HE1 TYR 37 105.965 14.460 6.517 193 HE2 TYR 37 HE2 TYR 37 102.150 16.364 6.338 194 HH TYR 37 HH TYR 37 105.106 16.221 7.999 195 H GLU 38 HN GLU 38 103.212 15.330 -0.992 196 HA GLU 38 HA GLU 38 104.291 14.841 -2.910 197 1HB GLU 38 HB2 GLU 38 106.442 15.729 -3.236 198 2HB GLU 38 HB1 GLU 38 105.696 16.763 -2.032 199 1HG GLU 38 HG2 GLU 38 107.086 16.052 -0.356 200 2HG GLU 38 HG1 GLU 38 107.406 14.499 -1.124 201 H LYS 39 HN LYS 39 103.792 12.734 -1.086 202 HA LYS 39 HA LYS 39 106.074 10.936 -1.571 203 1HB LYS 39 HB2 LYS 39 103.764 10.596 0.353 204 2HB LYS 39 HB1 LYS 39 105.136 9.510 0.182 205 1HG LYS 39 HG2 LYS 39 105.675 12.360 0.818 206 2HG LYS 39 HG1 LYS 39 105.030 11.320 2.089 207 1HD LYS 39 HD2 LYS 39 107.326 10.325 0.476 208 2HD LYS 39 HD1 LYS 39 107.632 11.566 1.693 209 1HE LYS 39 HE2 LYS 39 106.193 9.950 3.201 210 2HE LYS 39 HE1 LYS 39 106.727 8.749 2.027 211 1HZ LYS 39 HZ1 LYS 39 108.830 8.826 2.775 212 2HZ LYS 39 HZ2 LYS 39 108.121 9.420 4.191 213 3HZ LYS 39 HZ3 LYS 39 108.799 10.492 3.072 214 H THR 40 HN THR 40 102.644 11.421 -2.060 215 HA THR 40 HA THR 40 102.528 8.969 -3.678 216 HB THR 40 HB THR 40 100.393 10.525 -2.224 217 HG1 THR 40 HG1 THR 40 101.144 7.796 -2.085 218 1HG2 THR 40 HG21 THR 40 99.036 8.406 -3.091 219 2HG2 THR 40 HG22 THR 40 100.100 8.650 -4.475 220 3HG2 THR 40 HG23 THR 40 99.048 9.955 -3.931 221 H TYR 41 HN TYR 41 102.394 12.404 -3.772 222 HA TYR 41 HA TYR 41 100.807 12.916 -5.979 223 1HB TYR 41 HB2 TYR 41 102.404 14.402 -4.333 224 2HB TYR 41 HB1 TYR 41 103.281 14.498 -5.855 225 HD1 TYR 41 HD1 TYR 41 100.557 15.782 -3.944 226 HD2 TYR 41 HD2 TYR 41 101.975 15.280 -7.924 227 HE1 TYR 41 HE1 TYR 41 99.040 17.561 -4.702 228 HE2 TYR 41 HE2 TYR 41 100.461 17.058 -8.693 229 HH TYR 41 HH TYR 41 99.310 19.074 -7.655 230 H LEU 42 HN LEU 42 104.039 11.613 -5.813 231 HA LEU 42 HA LEU 42 104.381 11.800 -8.701 232 1HB LEU 42 HB2 LEU 42 106.119 11.474 -6.400 233 2HB LEU 42 HB1 LEU 42 106.487 10.303 -7.650 234 HG LEU 42 HG LEU 42 106.176 12.889 -8.852 235 1HD1 LEU 42 HD11 LEU 42 107.476 14.296 -7.670 236 2HD1 LEU 42 HD12 LEU 42 108.527 13.008 -7.083 237 3HD1 LEU 42 HD13 LEU 42 106.965 13.292 -6.312 238 1HD2 LEU 42 HD21 LEU 42 108.846 11.664 -8.593 239 2HD2 LEU 42 HD22 LEU 42 107.984 12.224 -10.026 240 3HD2 LEU 42 HD23 LEU 42 107.596 10.655 -9.321 241 HA PRO 43 HA PRO 43 102.788 7.674 -9.214 242 1HB PRO 43 HB2 PRO 43 103.374 7.325 -11.817 243 2HB PRO 43 HB1 PRO 43 102.096 8.423 -11.283 244 1HG PRO 43 HG2 PRO 43 104.887 9.045 -12.152 245 2HG PRO 43 HG1 PRO 43 103.382 9.902 -12.522 246 1HD PRO 43 HD2 PRO 43 105.163 10.702 -10.598 247 2HD PRO 43 HD1 PRO 43 103.431 11.082 -10.562 248 H ALA 44 HN ALA 44 105.056 7.502 -7.797 249 HA ALA 44 HA ALA 44 106.959 6.314 -7.387 250 1HB ALA 44 HB1 ALA 44 105.693 4.411 -7.223 251 2HB ALA 44 HB2 ALA 44 106.813 3.944 -8.503 252 3HB ALA 44 HB3 ALA 44 105.180 4.474 -8.909 253 H VAL 45 HN VAL 45 107.183 8.145 -9.588 254 HA VAL 45 HA VAL 45 108.369 7.106 -11.876 255 HB VAL 45 HB VAL 45 109.107 9.706 -10.527 256 1HG1 VAL 45 HG11 VAL 45 109.517 10.390 -12.935 257 2HG1 VAL 45 HG12 VAL 45 109.448 8.673 -13.329 258 3HG1 VAL 45 HG13 VAL 45 110.685 9.274 -12.226 259 1HG2 VAL 45 HG21 VAL 45 107.231 10.685 -11.325 260 2HG2 VAL 45 HG22 VAL 45 106.597 9.045 -11.205 261 3HG2 VAL 45 HG23 VAL 45 107.170 9.657 -12.756 262 H ASP 46 HN ASP 46 109.625 7.382 -8.665 263 HA ASP 46 HA ASP 46 112.388 7.289 -9.311 264 1HB ASP 46 HB2 ASP 46 111.042 7.796 -7.036 265 2HB ASP 46 HB1 ASP 46 111.471 6.113 -6.746 266 H GLU 47 HN GLU 47 110.378 4.753 -7.808 267 HA GLU 47 HA GLU 47 112.172 2.663 -8.255 268 1HB GLU 47 HB2 GLU 47 109.165 2.453 -8.070 269 2HB GLU 47 HB1 GLU 47 110.324 1.167 -7.771 270 1HG GLU 47 HG2 GLU 47 110.892 1.958 -5.721 271 2HG GLU 47 HG1 GLU 47 110.586 3.637 -6.163 272 H LYS 48 HN LYS 48 109.478 3.832 -10.245 273 HA LYS 48 HA LYS 48 109.369 1.844 -12.156 274 1HB LYS 48 HB2 LYS 48 108.338 4.437 -11.875 275 2HB LYS 48 HB1 LYS 48 109.191 4.448 -13.411 276 1HG LYS 48 HG2 LYS 48 107.783 2.906 -14.361 277 2HG LYS 48 HG1 LYS 48 107.327 2.205 -12.808 278 1HD LYS 48 HD2 LYS 48 105.438 3.409 -13.609 279 2HD LYS 48 HD1 LYS 48 106.140 4.363 -12.300 280 1HE LYS 48 HE2 LYS 48 107.407 5.618 -14.121 281 2HE LYS 48 HE1 LYS 48 106.314 4.839 -15.263 282 1HZ LYS 48 HZ1 LYS 48 104.457 5.796 -13.904 283 2HZ LYS 48 HZ2 LYS 48 105.390 6.930 -14.744 284 3HZ LYS 48 HZ3 LYS 48 105.613 6.718 -13.081 285 H LEU 49 HN LEU 49 111.688 4.429 -11.768 286 HA LEU 49 HA LEU 49 113.111 3.613 -14.197 287 1HB LEU 49 HB2 LEU 49 113.072 6.046 -12.493 288 2HB LEU 49 HB1 LEU 49 114.580 5.654 -13.299 289 HG LEU 49 HG LEU 49 111.925 6.062 -14.679 290 1HD1 LEU 49 HD11 LEU 49 112.512 8.200 -14.068 291 2HD1 LEU 49 HD12 LEU 49 113.333 8.049 -15.622 292 3HD1 LEU 49 HD13 LEU 49 114.241 7.858 -14.123 293 1HD2 LEU 49 HD21 LEU 49 113.067 4.638 -16.087 294 2HD2 LEU 49 HD22 LEU 49 114.645 5.270 -15.621 295 3HD2 LEU 49 HD23 LEU 49 113.592 6.217 -16.673 296 H ARG 50 HN ARG 50 113.237 3.338 -10.756 297 HA ARG 50 HA ARG 50 116.052 2.535 -10.818 298 1HB ARG 50 HB2 ARG 50 114.494 3.894 -8.927 299 2HB ARG 50 HB1 ARG 50 114.790 2.312 -8.222 300 1HG ARG 50 HG2 ARG 50 117.214 3.334 -9.357 301 2HG ARG 50 HG1 ARG 50 116.505 4.530 -8.272 302 1HD ARG 50 HD2 ARG 50 116.735 1.666 -7.436 303 2HD ARG 50 HD1 ARG 50 118.122 2.747 -7.313 304 HE ARG 50 HE ARG 50 115.802 2.719 -5.635 305 1HH1 ARG 50 HH11 ARG 50 118.349 4.735 -6.913 306 2HH1 ARG 50 HH12 ARG 50 118.280 5.867 -5.604 307 1HH2 ARG 50 HH21 ARG 50 115.710 4.207 -3.913 308 2HH2 ARG 50 HH22 ARG 50 116.782 5.567 -3.901 309 H ASP 51 HN ASP 51 113.607 0.975 -11.829 310 HA ASP 51 HA ASP 51 113.900 -1.425 -10.168 311 1HB ASP 51 HB2 ASP 51 111.746 -0.324 -11.843 312 2HB ASP 51 HB1 ASP 51 111.997 -2.058 -12.033 313 H LEU 52 HN LEU 52 114.091 -0.306 -13.524 314 HA LEU 52 HA LEU 52 114.766 -2.695 -14.763 315 1HB LEU 52 HB2 LEU 52 116.070 -1.158 -16.366 316 2HB LEU 52 HB1 LEU 52 114.336 -0.940 -16.217 317 HG LEU 52 HG LEU 52 115.589 0.751 -14.297 318 1HD1 LEU 52 HD11 LEU 52 117.597 1.010 -15.330 319 2HD1 LEU 52 HD12 LEU 52 116.665 2.211 -16.222 320 3HD1 LEU 52 HD13 LEU 52 116.956 0.621 -16.927 321 1HD2 LEU 52 HD21 LEU 52 113.786 0.957 -16.621 322 2HD2 LEU 52 HD22 LEU 52 114.635 2.433 -16.164 323 3HD2 LEU 52 HD23 LEU 52 113.617 1.602 -14.989 324 H TYR 53 HN TYR 53 116.840 -0.323 -13.178 325 HA TYR 53 HA TYR 53 119.308 -1.597 -13.730 326 1HB TYR 53 HB2 TYR 53 118.634 0.808 -12.748 327 2HB TYR 53 HB1 TYR 53 118.994 -0.014 -11.235 328 HD1 TYR 53 HD1 TYR 53 121.270 -1.499 -11.436 329 HD2 TYR 53 HD2 TYR 53 120.369 2.012 -13.662 330 HE1 TYR 53 HE1 TYR 53 123.672 -1.130 -11.814 331 HE2 TYR 53 HE2 TYR 53 122.768 2.392 -14.046 332 HH TYR 53 HH TYR 53 125.094 0.082 -13.570 333 H SER 54 HN SER 54 117.302 -1.495 -10.802 334 HA SER 54 HA SER 54 118.872 -3.408 -9.399 335 1HB SER 54 HB2 SER 54 117.105 -3.293 -7.691 336 2HB SER 54 HB1 SER 54 117.567 -1.681 -8.228 337 HG SER 54 HG SER 54 115.440 -1.566 -8.394 338 H LYS 55 HN LYS 55 117.183 -4.045 -11.992 339 HA LYS 55 HA LYS 55 116.595 -6.735 -11.021 340 1HB LYS 55 HB2 LYS 55 114.705 -4.887 -12.383 341 2HB LYS 55 HB1 LYS 55 114.678 -6.563 -12.906 342 1HG LYS 55 HG2 LYS 55 114.696 -6.396 -10.032 343 2HG LYS 55 HG1 LYS 55 113.368 -5.453 -10.713 344 1HD LYS 55 HD2 LYS 55 112.650 -7.408 -12.005 345 2HD LYS 55 HD1 LYS 55 113.977 -8.347 -11.320 346 1HE LYS 55 HE2 LYS 55 112.622 -7.214 -9.139 347 2HE LYS 55 HE1 LYS 55 111.372 -7.805 -10.232 348 1HZ LYS 55 HZ1 LYS 55 112.423 -9.373 -8.465 349 2HZ LYS 55 HZ2 LYS 55 113.658 -9.540 -9.609 350 3HZ LYS 55 HZ3 LYS 55 112.069 -9.959 -10.012 351 H SER 56 HN SER 56 118.145 -4.765 -13.248 352 HA SER 56 HA SER 56 118.136 -6.200 -15.626 353 1HB SER 56 HB2 SER 56 119.322 -4.100 -15.504 354 2HB SER 56 HB1 SER 56 120.375 -4.710 -14.227 355 HG SER 56 HG SER 56 120.273 -5.701 -16.888 356 H THR 57 HN THR 57 119.623 -6.754 -12.568 357 HA THR 57 HA THR 57 120.213 -9.505 -13.269 358 HB THR 57 HB THR 57 122.256 -7.533 -12.239 359 HG1 THR 57 HG1 THR 57 122.109 -7.748 -14.490 360 1HG2 THR 57 HG21 THR 57 122.690 -9.364 -10.858 361 2HG2 THR 57 HG22 THR 57 123.798 -9.553 -12.218 362 3HG2 THR 57 HG23 THR 57 122.329 -10.526 -12.136 363 H ALA 58 HN ALA 58 118.945 -7.211 -11.151 364 HA ALA 58 HA ALA 58 117.959 -7.432 -9.102 365 1HB ALA 58 HB1 ALA 58 117.524 -9.546 -8.172 366 2HB ALA 58 HB2 ALA 58 118.950 -10.266 -8.920 367 3HB ALA 58 HB3 ALA 58 117.554 -9.843 -9.911 368 H ALA 59 HN ALA 59 120.411 -6.371 -9.504 369 HA ALA 59 HA ALA 59 122.105 -7.342 -7.303 370 1HB ALA 59 HB1 ALA 59 122.614 -6.073 -9.850 371 2HB ALA 59 HB2 ALA 59 123.710 -6.961 -8.791 372 3HB ALA 59 HB3 ALA 59 123.435 -5.239 -8.531 373 H MET 60 HN MET 60 120.161 -4.610 -8.288 374 HA MET 60 HA MET 60 120.981 -3.187 -5.838 375 1HB MET 60 HB2 MET 60 119.471 -2.069 -8.198 376 2HB MET 60 HB1 MET 60 120.141 -1.164 -6.851 377 1HG MET 60 HG2 MET 60 122.018 -2.822 -8.418 378 2HG MET 60 HG1 MET 60 121.359 -1.390 -9.206 379 1HE MET 60 HE1 MET 60 121.887 0.620 -9.050 380 2HE MET 60 HE2 MET 60 123.455 1.179 -8.468 381 3HE MET 60 HE3 MET 60 122.010 1.432 -7.489 382 H SER 61 HN SER 61 118.636 -5.258 -6.798 383 HA SER 61 HA SER 61 116.489 -3.904 -5.318 384 1HB SER 61 HB2 SER 61 115.813 -4.715 -7.507 385 2HB SER 61 HB1 SER 61 116.413 -6.329 -7.131 386 HG SER 61 HG SER 61 114.824 -6.447 -5.488 387 H THR 62 HN THR 62 118.516 -6.767 -5.340 388 HA THR 62 HA THR 62 117.212 -8.239 -3.347 389 HB THR 62 HB THR 62 120.172 -8.132 -3.962 390 HG1 THR 62 HG1 THR 62 119.221 -8.773 -5.798 391 1HG2 THR 62 HG21 THR 62 118.690 -10.487 -2.859 392 2HG2 THR 62 HG22 THR 62 119.464 -9.296 -1.813 393 3HG2 THR 62 HG23 THR 62 120.430 -10.219 -2.964 394 H TYR 63 HN TYR 63 119.615 -5.662 -3.140 395 HA TYR 63 HA TYR 63 119.917 -5.863 -0.296 396 1HB TYR 63 HB2 TYR 63 121.218 -4.624 -2.468 397 2HB TYR 63 HB1 TYR 63 120.736 -3.346 -1.362 398 HD1 TYR 63 HD1 TYR 63 122.272 -6.752 -1.195 399 HD2 TYR 63 HD2 TYR 63 122.264 -2.758 0.268 400 HE1 TYR 63 HE1 TYR 63 124.193 -7.284 0.245 401 HE2 TYR 63 HE2 TYR 63 124.187 -3.278 1.711 402 HH TYR 63 HH TYR 63 126.181 -5.252 1.483 403 H THR 64 HN THR 64 117.951 -3.999 -2.524 404 HA THR 64 HA THR 64 117.188 -1.879 -0.921 405 HB THR 64 HB THR 64 116.572 -2.413 -3.389 406 HG1 THR 64 HG1 THR 64 114.788 -1.002 -3.209 407 1HG2 THR 64 HG21 THR 64 114.877 -3.743 -3.899 408 2HG2 THR 64 HG22 THR 64 113.863 -3.067 -2.624 409 3HG2 THR 64 HG23 THR 64 114.991 -4.370 -2.255 410 H GLY 65 HN GLY 65 116.411 -5.199 -0.704 411 1HA GLY 65 HA2 GLY 65 114.092 -4.918 0.963 412 2HA GLY 65 HA1 GLY 65 115.003 -6.398 0.682 413 H ILE 66 HN ILE 66 117.525 -4.928 1.452 414 HA ILE 66 HA ILE 66 117.163 -5.208 4.350 415 HB ILE 66 HB ILE 66 119.710 -5.242 2.728 416 1HG1 ILE 66 HG12 ILE 66 119.638 -7.687 3.714 417 2HG1 ILE 66 HG11 ILE 66 117.906 -7.380 3.791 418 1HG2 ILE 66 HG21 ILE 66 120.072 -4.370 4.970 419 2HG2 ILE 66 HG22 ILE 66 120.787 -5.973 4.802 420 3HG2 ILE 66 HG23 ILE 66 119.261 -5.774 5.662 421 1HD1 ILE 66 HD11 ILE 66 117.938 -6.865 1.376 422 2HD1 ILE 66 HD12 ILE 66 118.426 -8.516 1.749 423 3HD1 ILE 66 HD13 ILE 66 119.643 -7.309 1.339 424 H PHE 67 HN PHE 67 117.783 -2.952 1.874 425 HA PHE 67 HA PHE 67 119.192 -0.983 3.319 426 1HB PHE 67 HB2 PHE 67 118.397 -1.359 0.728 427 2HB PHE 67 HB1 PHE 67 117.346 -0.044 1.240 428 HD1 PHE 67 HD1 PHE 67 118.118 2.133 1.152 429 HD2 PHE 67 HD2 PHE 67 120.925 -1.063 1.245 430 HE1 PHE 67 HE1 PHE 67 119.951 3.738 0.806 431 HE2 PHE 67 HE2 PHE 67 122.764 0.535 0.900 432 HZ PHE 67 HZ PHE 67 122.277 2.940 0.680 433 H THR 68 HN THR 68 115.766 -1.474 2.638 434 HA THR 68 HA THR 68 114.881 0.787 4.135 435 HB THR 68 HB THR 68 112.940 -1.385 3.785 436 HG1 THR 68 HG1 THR 68 114.137 -0.264 1.475 437 1HG2 THR 68 HG21 THR 68 112.283 0.939 4.191 438 2HG2 THR 68 HG22 THR 68 111.636 0.311 2.675 439 3HG2 THR 68 HG23 THR 68 113.022 1.401 2.658 440 H ASP 69 HN ASP 69 115.651 -2.512 4.901 441 HA ASP 69 HA ASP 69 114.160 -2.934 7.199 442 1HB ASP 69 HB2 ASP 69 116.586 -4.047 6.014 443 2HB ASP 69 HB1 ASP 69 116.590 -4.128 7.773 444 H GLN 70 HN GLN 70 116.900 -0.876 6.699 445 HA GLN 70 HA GLN 70 117.351 -0.500 9.543 446 1HB GLN 70 HB2 GLN 70 118.706 0.405 7.041 447 2HB GLN 70 HB1 GLN 70 118.962 1.324 8.518 448 1HG GLN 70 HG2 GLN 70 119.267 -1.476 9.043 449 2HG GLN 70 HG1 GLN 70 120.283 -0.997 7.684 450 1HE2 GLN 70 HE21 GLN 70 119.784 -0.831 11.066 451 2HE2 GLN 70 HE22 GLN 70 121.194 0.085 11.459 452 H VAL 71 HN VAL 71 115.023 0.522 7.574 453 HA VAL 71 HA VAL 71 114.977 3.312 8.477 454 HB VAL 71 HB VAL 71 113.187 1.861 6.526 455 1HG1 VAL 71 HG11 VAL 71 111.873 3.666 6.433 456 2HG1 VAL 71 HG12 VAL 71 113.253 4.759 6.348 457 3HG1 VAL 71 HG13 VAL 71 112.665 4.202 7.913 458 1HG2 VAL 71 HG21 VAL 71 115.496 3.746 6.077 459 2HG2 VAL 71 HG22 VAL 71 114.374 3.225 4.820 460 3HG2 VAL 71 HG23 VAL 71 115.406 2.043 5.625 461 H LEU 72 HN LEU 72 113.011 0.357 8.527 462 HA LEU 72 HA LEU 72 111.065 1.564 10.278 463 1HB LEU 72 HB2 LEU 72 110.248 -0.895 10.379 464 2HB LEU 72 HB1 LEU 72 110.042 0.018 8.896 465 HG LEU 72 HG LEU 72 112.511 -1.618 9.144 466 1HD1 LEU 72 HD11 LEU 72 110.316 -3.169 8.063 467 2HD1 LEU 72 HD12 LEU 72 110.082 -2.794 9.769 468 3HD1 LEU 72 HD13 LEU 72 111.547 -3.621 9.240 469 1HD2 LEU 72 HD21 LEU 72 110.669 -1.542 6.804 470 2HD2 LEU 72 HD22 LEU 72 112.428 -1.655 6.851 471 3HD2 LEU 72 HD23 LEU 72 111.635 -0.115 7.179 472 H SER 73 HN SER 73 113.968 -0.260 10.491 473 HA SER 73 HA SER 73 113.628 -1.359 13.077 474 1HB SER 73 HB2 SER 73 115.890 -0.947 11.200 475 2HB SER 73 HB1 SER 73 116.292 -1.210 12.897 476 HG SER 73 HG SER 73 114.808 -3.090 12.692 477 H VAL 74 HN VAL 74 114.339 1.804 11.952 478 HA VAL 74 HA VAL 74 114.999 2.636 14.706 479 HB VAL 74 HB VAL 74 115.954 3.989 12.186 480 1HG1 VAL 74 HG11 VAL 74 117.483 5.158 13.729 481 2HG1 VAL 74 HG12 VAL 74 116.698 4.355 15.087 482 3HG1 VAL 74 HG13 VAL 74 115.787 5.484 14.085 483 1HG2 VAL 74 HG21 VAL 74 117.992 2.898 12.331 484 2HG2 VAL 74 HG22 VAL 74 116.855 1.611 12.733 485 3HG2 VAL 74 HG23 VAL 74 117.742 2.436 14.015 486 H LEU 75 HN LEU 75 112.981 3.110 11.933 487 HA LEU 75 HA LEU 75 111.923 5.587 13.139 488 1HB LEU 75 HB2 LEU 75 111.457 4.688 10.313 489 2HB LEU 75 HB1 LEU 75 111.207 6.283 11.001 490 HG LEU 75 HG LEU 75 113.901 4.973 10.639 491 1HD1 LEU 75 HD11 LEU 75 114.052 5.852 8.592 492 2HD1 LEU 75 HD12 LEU 75 113.322 7.375 9.097 493 3HD1 LEU 75 HD13 LEU 75 112.296 6.008 8.660 494 1HD2 LEU 75 HD21 LEU 75 113.644 7.879 11.023 495 2HD2 LEU 75 HD22 LEU 75 114.843 6.750 11.651 496 3HD2 LEU 75 HD23 LEU 75 113.268 6.886 12.432 497 H LYS 76 HN LYS 76 111.081 2.304 12.514 498 HA LYS 76 HA LYS 76 108.224 2.969 12.771 499 1HB LYS 76 HB2 LYS 76 109.741 0.828 11.447 500 2HB LYS 76 HB1 LYS 76 108.280 0.306 12.261 501 1HG LYS 76 HG2 LYS 76 107.159 2.258 10.982 502 2HG LYS 76 HG1 LYS 76 108.588 2.172 9.950 503 1HD LYS 76 HD2 LYS 76 108.121 -0.230 9.576 504 2HD LYS 76 HD1 LYS 76 106.643 -0.063 10.526 505 1HE LYS 76 HE2 LYS 76 106.089 0.066 8.190 506 2HE LYS 76 HE1 LYS 76 105.862 1.655 8.919 507 1HZ LYS 76 HZ1 LYS 76 107.746 2.486 7.882 508 2HZ LYS 76 HZ2 LYS 76 107.063 1.507 6.684 509 3HZ LYS 76 HZ3 LYS 76 108.393 0.954 7.572 510 H GLY 77 HN GLY 77 110.887 1.736 14.488 511 1HA GLY 77 HA2 GLY 77 110.572 1.529 16.912 512 2HA GLY 77 HA1 GLY 77 109.070 0.681 16.563 513 H GLU 78 HN GLU 78 112.239 0.330 15.055 514 HA GLU 78 HA GLU 78 113.679 -1.405 14.889 515 1HB GLU 78 HB2 GLU 78 113.121 -1.326 17.464 516 2HB GLU 78 HB1 GLU 78 112.377 -2.879 17.115 517 1HG GLU 78 HG2 GLU 78 114.351 -3.913 16.870 518 2HG GLU 78 HG1 GLU 78 115.074 -2.547 16.021 519 H GLU 79 HN GLU 79 111.865 -1.535 13.015 520 HA GLU 79 HA GLU 79 110.963 -2.992 11.511 521 1HB GLU 79 HB2 GLU 79 112.630 -4.654 13.101 522 2HB GLU 79 HB1 GLU 79 111.119 -5.517 12.848 523 1HG GLU 79 HG2 GLU 79 111.352 -5.303 10.458 524 2HG GLU 79 HG1 GLU 79 112.802 -4.322 10.659 Start of MODEL 21 1 H THR 13 H THR 13 87.464 -8.718 17.189 2 HA THR 13 HA THR 13 87.041 -8.826 20.090 3 HB THR 13 HB THR 13 88.095 -6.656 18.269 4 HG1 THR 13 HG1 THR 13 89.726 -8.018 18.214 5 1HG2 THR 13 HG21 THR 13 87.156 -6.035 20.555 6 2HG2 THR 13 HG22 THR 13 88.790 -5.499 20.163 7 3HG2 THR 13 HG23 THR 13 88.547 -6.893 21.216 8 H PHE 14 HN PHE 14 85.550 -8.165 17.102 9 HA PHE 14 HA PHE 14 83.529 -7.340 16.519 10 1HB PHE 14 HB2 PHE 14 82.614 -8.584 18.344 11 2HB PHE 14 HB1 PHE 14 83.137 -7.376 19.506 12 HD1 PHE 14 HD1 PHE 14 81.817 -5.475 19.982 13 HD2 PHE 14 HD2 PHE 14 80.773 -8.043 16.752 14 HE1 PHE 14 HE1 PHE 14 79.653 -4.323 19.770 15 HE2 PHE 14 HE2 PHE 14 78.607 -6.896 16.535 16 HZ PHE 14 HZ PHE 14 78.046 -5.033 18.044 17 H LEU 15 HN LEU 15 85.630 -5.530 18.546 18 HA LEU 15 HA LEU 15 84.160 -3.047 18.067 19 1HB LEU 15 HB2 LEU 15 86.681 -3.439 19.677 20 2HB LEU 15 HB1 LEU 15 85.632 -2.033 19.674 21 HG LEU 15 HG LEU 15 84.846 -4.764 20.695 22 1HD1 LEU 15 HD11 LEU 15 85.353 -2.301 22.337 23 2HD1 LEU 15 HD12 LEU 15 86.613 -3.489 22.007 24 3HD1 LEU 15 HD13 LEU 15 85.159 -3.966 22.881 25 1HD2 LEU 15 HD21 LEU 15 83.089 -3.118 19.742 26 2HD2 LEU 15 HD22 LEU 15 83.396 -2.201 21.217 27 3HD2 LEU 15 HD23 LEU 15 82.808 -3.860 21.318 28 H THR 16 HN THR 16 87.307 -4.561 17.489 29 HA THR 16 HA THR 16 88.458 -2.384 16.096 30 HB THR 16 HB THR 16 89.126 -5.312 15.764 31 HG1 THR 16 HG1 THR 16 90.394 -5.125 17.540 32 1HG2 THR 16 HG21 THR 16 90.903 -2.895 15.551 33 2HG2 THR 16 HG22 THR 16 90.249 -3.796 14.183 34 3HG2 THR 16 HG23 THR 16 91.364 -4.579 15.303 35 H GLN 17 HN GLN 17 86.380 -5.021 15.132 36 HA GLN 17 HA GLN 17 86.788 -4.964 12.368 37 1HB GLN 17 HB2 GLN 17 85.367 -6.563 13.906 38 2HB GLN 17 HB1 GLN 17 84.059 -5.468 13.480 39 1HG GLN 17 HG2 GLN 17 83.766 -6.617 11.618 40 2HG GLN 17 HG1 GLN 17 85.354 -6.077 11.076 41 1HE2 GLN 17 HE21 GLN 17 87.137 -7.442 11.345 42 2HE2 GLN 17 HE22 GLN 17 86.951 -9.137 11.621 43 H VAL 18 HN VAL 18 84.444 -3.178 14.359 44 HA VAL 18 HA VAL 18 83.119 -1.848 12.293 45 HB VAL 18 HB VAL 18 83.664 -0.796 15.074 46 1HG1 VAL 18 HG11 VAL 18 82.363 0.952 14.602 47 2HG1 VAL 18 HG12 VAL 18 81.128 -0.075 13.873 48 3HG1 VAL 18 HG13 VAL 18 82.492 0.488 12.906 49 1HG2 VAL 18 HG21 VAL 18 82.646 -2.970 15.221 50 2HG2 VAL 18 HG22 VAL 18 81.436 -2.532 14.016 51 3HG2 VAL 18 HG23 VAL 18 81.428 -1.750 15.597 52 H LYS 19 HN LYS 19 86.119 -1.089 13.964 53 HA LYS 19 HA LYS 19 86.477 1.521 12.945 54 1HB LYS 19 HB2 LYS 19 87.808 -0.095 14.721 55 2HB LYS 19 HB1 LYS 19 88.923 -0.036 13.363 56 1HG LYS 19 HG2 LYS 19 89.067 2.339 13.485 57 2HG LYS 19 HG1 LYS 19 87.750 2.414 14.657 58 1HD LYS 19 HD2 LYS 19 89.705 2.674 15.931 59 2HD LYS 19 HD1 LYS 19 89.237 0.990 16.164 60 1HE LYS 19 HE2 LYS 19 90.856 0.893 13.937 61 2HE LYS 19 HE1 LYS 19 91.629 2.118 14.943 62 1HZ LYS 19 HZ1 LYS 19 91.468 0.457 16.803 63 2HZ LYS 19 HZ2 LYS 19 92.552 0.059 15.567 64 3HZ LYS 19 HZ3 LYS 19 91.042 -0.700 15.644 65 H GLU 20 HN GLU 20 88.064 -1.514 11.993 66 HA GLU 20 HA GLU 20 89.288 -0.560 9.677 67 1HB GLU 20 HB2 GLU 20 88.263 -3.349 10.244 68 2HB GLU 20 HB1 GLU 20 89.393 -2.926 8.966 69 1HG GLU 20 HG2 GLU 20 90.532 -1.890 11.277 70 2HG GLU 20 HG1 GLU 20 89.875 -3.453 11.760 71 H SER 21 HN SER 21 85.990 -1.253 10.332 72 HA SER 21 HA SER 21 85.152 -1.726 7.646 73 1HB SER 21 HB2 SER 21 84.043 -1.977 10.164 74 2HB SER 21 HB1 SER 21 83.133 -0.643 9.458 75 HG SER 21 HG SER 21 82.905 -3.257 8.961 76 H LEU 22 HN LEU 22 84.719 1.048 9.847 77 HA LEU 22 HA LEU 22 83.752 2.773 7.811 78 1HB LEU 22 HB2 LEU 22 83.823 2.863 10.539 79 2HB LEU 22 HB1 LEU 22 85.060 4.035 10.125 80 HG LEU 22 HG LEU 22 82.815 5.035 10.479 81 1HD1 LEU 22 HD11 LEU 22 84.489 6.156 9.094 82 2HD1 LEU 22 HD12 LEU 22 82.855 6.456 8.504 83 3HD1 LEU 22 HD13 LEU 22 83.892 5.296 7.676 84 1HD2 LEU 22 HD21 LEU 22 80.971 4.383 9.384 85 2HD2 LEU 22 HD22 LEU 22 81.872 2.897 9.084 86 3HD2 LEU 22 HD23 LEU 22 81.830 4.167 7.860 87 H SER 23 HN SER 23 86.917 1.970 9.029 88 HA SER 23 HA SER 23 88.272 4.158 7.765 89 1HB SER 23 HB2 SER 23 88.974 2.497 9.769 90 2HB SER 23 HB1 SER 23 89.783 1.690 8.427 91 H SER 24 HN SER 24 87.394 0.904 6.876 92 HA SER 24 HA SER 24 89.118 0.761 4.602 93 1HB SER 24 HB2 SER 24 87.613 -1.155 3.951 94 2HB SER 24 HB1 SER 24 88.395 -1.309 5.523 95 HG SER 24 HG SER 24 85.718 -0.542 4.991 96 H TYR 25 HN TYR 25 85.874 1.913 5.214 97 HA TYR 25 HA TYR 25 84.879 2.021 2.622 98 1HB TYR 25 HB2 TYR 25 84.041 2.748 5.126 99 2HB TYR 25 HB1 TYR 25 84.215 4.306 4.334 100 HD1 TYR 25 HD1 TYR 25 82.137 1.434 4.753 101 HD2 TYR 25 HD2 TYR 25 83.005 4.641 2.096 102 HE1 TYR 25 HE1 TYR 25 79.950 1.122 3.671 103 HE2 TYR 25 HE2 TYR 25 80.821 4.338 1.007 104 HH TYR 25 HH TYR 25 78.464 3.283 1.863 105 H TRP 26 HN TRP 26 86.979 4.177 4.416 106 HA TRP 26 HA TRP 26 87.213 5.974 2.119 107 1HB TRP 26 HB2 TRP 26 88.478 6.281 4.847 108 2HB TRP 26 HB1 TRP 26 88.298 7.518 3.607 109 HD1 TRP 26 HD1 TRP 26 86.705 6.352 6.692 110 HE1 TRP 26 HE1 TRP 26 84.338 7.328 6.938 111 HE3 TRP 26 HE3 TRP 26 86.045 8.106 1.934 112 HZ2 TRP 26 HZ2 TRP 26 82.440 8.660 5.333 113 HZ3 TRP 26 HZ3 TRP 26 83.924 9.216 1.371 114 HH2 TRP 26 HH2 TRP 26 82.159 9.487 3.037 115 H GLU 27 HN GLU 27 88.833 3.341 3.604 116 HA GLU 27 HA GLU 27 91.511 3.933 3.058 117 1HB GLU 27 HB2 GLU 27 90.665 1.982 4.386 118 2HB GLU 27 HB1 GLU 27 90.217 1.209 2.872 119 1HG GLU 27 HG2 GLU 27 92.406 0.848 2.251 120 2HG GLU 27 HG1 GLU 27 93.021 2.134 3.289 121 H SER 28 HN SER 28 88.988 2.574 0.991 122 HA SER 28 HA SER 28 90.640 1.948 -1.205 123 1HB SER 28 HB2 SER 28 88.609 0.953 -1.488 124 2HB SER 28 HB1 SER 28 87.723 2.292 -0.762 125 HG SER 28 HG SER 28 88.926 2.358 -3.332 126 H ALA 29 HN ALA 29 88.972 4.886 -0.227 127 HA ALA 29 HA ALA 29 89.393 6.374 -2.581 128 1HB ALA 29 HB1 ALA 29 87.830 7.138 -0.895 129 2HB ALA 29 HB2 ALA 29 89.079 8.360 -1.132 130 3HB ALA 29 HB3 ALA 29 89.133 7.305 0.281 131 H LYS 30 HN LYS 30 91.325 5.727 0.259 132 HA LYS 30 HA LYS 30 93.463 7.507 -0.452 133 1HB LYS 30 HB2 LYS 30 92.754 5.855 1.783 134 2HB LYS 30 HB1 LYS 30 94.397 5.470 1.294 135 1HG LYS 30 HG2 LYS 30 94.898 7.926 1.387 136 2HG LYS 30 HG1 LYS 30 93.307 8.146 2.121 137 1HD LYS 30 HD2 LYS 30 94.010 6.474 3.870 138 2HD LYS 30 HD1 LYS 30 95.639 6.572 3.197 139 1HE LYS 30 HE2 LYS 30 95.545 9.048 3.583 140 2HE LYS 30 HE1 LYS 30 94.032 8.793 4.450 141 1HZ LYS 30 HZ1 LYS 30 95.790 8.872 6.028 142 2HZ LYS 30 HZ2 LYS 30 96.709 7.738 5.173 143 3HZ LYS 30 HZ3 LYS 30 95.276 7.262 5.936 144 H THR 31 HN THR 31 92.568 4.216 -1.105 145 HA THR 31 HA THR 31 95.126 3.334 -2.004 146 HB THR 31 HB THR 31 92.337 2.275 -2.464 147 HG1 THR 31 HG1 THR 31 93.100 2.174 -0.309 148 1HG2 THR 31 HG21 THR 31 94.273 1.595 -4.105 149 2HG2 THR 31 HG22 THR 31 93.111 0.418 -3.495 150 3HG2 THR 31 HG23 THR 31 94.711 0.538 -2.763 151 H ALA 32 HN ALA 32 92.094 4.032 -3.765 152 HA ALA 32 HA ALA 32 93.185 3.984 -6.334 153 1HB ALA 32 HB1 ALA 32 91.013 4.189 -6.778 154 2HB ALA 32 HB2 ALA 32 91.129 5.901 -6.368 155 3HB ALA 32 HB3 ALA 32 90.687 4.726 -5.130 156 H ALA 33 HN ALA 33 93.365 6.331 -3.830 157 HA ALA 33 HA ALA 33 94.088 8.558 -5.477 158 1HB ALA 33 HB1 ALA 33 93.139 8.859 -3.233 159 2HB ALA 33 HB2 ALA 33 94.712 9.643 -3.385 160 3HB ALA 33 HB3 ALA 33 94.570 8.107 -2.531 161 H GLN 34 HN GLN 34 95.762 5.956 -3.836 162 HA GLN 34 HA GLN 34 98.376 6.845 -3.845 163 1HB GLN 34 HB2 GLN 34 97.225 4.546 -3.128 164 2HB GLN 34 HB1 GLN 34 97.883 4.029 -4.675 165 1HG GLN 34 HG2 GLN 34 99.446 3.487 -2.951 166 2HG GLN 34 HG1 GLN 34 100.116 4.789 -3.934 167 1HE2 GLN 34 HE21 GLN 34 99.194 3.785 -0.823 168 2HE2 GLN 34 HE22 GLN 34 99.526 5.261 0.012 169 H ASN 35 HN ASN 35 96.506 5.438 -6.499 170 HA ASN 35 HA ASN 35 98.549 5.130 -8.367 171 1HB ASN 35 HB2 ASN 35 95.895 4.646 -8.292 172 2HB ASN 35 HB1 ASN 35 95.918 6.050 -9.355 173 1HD2 ASN 35 HD21 ASN 35 95.283 3.223 -9.881 174 2HD2 ASN 35 HD22 ASN 35 96.324 2.748 -11.175 175 H LEU 36 HN LEU 36 96.299 7.871 -7.966 176 HA LEU 36 HA LEU 36 97.669 9.485 -9.870 177 1HB LEU 36 HB2 LEU 36 95.213 9.413 -8.509 178 2HB LEU 36 HB1 LEU 36 95.954 10.946 -8.107 179 HG LEU 36 HG LEU 36 96.245 11.348 -10.586 180 1HD1 LEU 36 HD11 LEU 36 94.293 9.870 -11.744 181 2HD1 LEU 36 HD12 LEU 36 94.984 8.696 -10.624 182 3HD1 LEU 36 HD13 LEU 36 96.013 9.486 -11.818 183 1HD2 LEU 36 HD21 LEU 36 94.501 12.645 -10.107 184 2HD2 LEU 36 HD22 LEU 36 93.848 11.470 -8.967 185 3HD2 LEU 36 HD23 LEU 36 93.470 11.337 -10.684 186 H TYR 37 HN TYR 37 97.987 8.933 -6.461 187 HA TYR 37 HA TYR 37 99.480 11.442 -6.119 188 1HB TYR 37 HB2 TYR 37 97.909 9.748 -4.356 189 2HB TYR 37 HB1 TYR 37 99.473 10.158 -3.658 190 HD1 TYR 37 HD1 TYR 37 96.160 11.319 -4.386 191 HD2 TYR 37 HD2 TYR 37 100.128 12.612 -3.552 192 HE1 TYR 37 HE1 TYR 37 95.306 13.552 -3.806 193 HE2 TYR 37 HE2 TYR 37 99.283 14.844 -2.964 194 HH TYR 37 HH TYR 37 97.119 16.228 -3.639 195 H GLU 38 HN GLU 38 100.162 8.267 -6.894 196 HA GLU 38 HA GLU 38 102.973 8.701 -6.434 197 1HB GLU 38 HB2 GLU 38 101.389 6.959 -4.668 198 2HB GLU 38 HB1 GLU 38 102.856 6.226 -5.300 199 1HG GLU 38 HG2 GLU 38 104.170 8.087 -4.430 200 2HG GLU 38 HG1 GLU 38 102.702 8.830 -3.801 201 H LYS 39 HN LYS 39 100.395 6.996 -7.939 202 HA LYS 39 HA LYS 39 100.309 5.692 -9.802 203 1HB LYS 39 HB2 LYS 39 102.816 7.144 -10.021 204 2HB LYS 39 HB1 LYS 39 102.895 5.580 -10.820 205 1HG LYS 39 HG2 LYS 39 101.115 6.124 -12.272 206 2HG LYS 39 HG1 LYS 39 100.667 7.537 -11.312 207 1HD LYS 39 HD2 LYS 39 102.684 8.678 -11.945 208 2HD LYS 39 HD1 LYS 39 103.302 7.235 -12.750 209 1HE LYS 39 HE2 LYS 39 101.550 7.368 -14.410 210 2HE LYS 39 HE1 LYS 39 100.810 8.729 -13.566 211 1HZ LYS 39 HZ1 LYS 39 103.594 9.084 -14.286 212 2HZ LYS 39 HZ2 LYS 39 102.298 10.164 -14.404 213 3HZ LYS 39 HZ3 LYS 39 102.526 8.985 -15.594 214 H THR 40 HN THR 40 101.544 4.771 -7.056 215 HA THR 40 HA THR 40 103.128 2.502 -7.755 216 HB THR 40 HB THR 40 101.609 2.733 -5.178 217 HG1 THR 40 HG1 THR 40 102.709 4.412 -4.570 218 1HG2 THR 40 HG21 THR 40 104.128 1.481 -6.082 219 2HG2 THR 40 HG22 THR 40 102.904 0.895 -4.956 220 3HG2 THR 40 HG23 THR 40 104.066 2.118 -4.439 221 H TYR 41 HN TYR 41 99.743 3.144 -7.173 222 HA TYR 41 HA TYR 41 98.759 0.563 -6.902 223 1HB TYR 41 HB2 TYR 41 97.652 2.990 -6.825 224 2HB TYR 41 HB1 TYR 41 97.174 2.545 -8.460 225 HD1 TYR 41 HD1 TYR 41 97.470 0.329 -5.482 226 HD2 TYR 41 HD2 TYR 41 94.866 2.211 -8.269 227 HE1 TYR 41 HE1 TYR 41 95.586 -0.975 -4.593 228 HE2 TYR 41 HE2 TYR 41 92.975 0.914 -7.387 229 HH TYR 41 HH TYR 41 92.291 -0.550 -5.849 230 H LEU 42 HN LEU 42 100.103 2.100 -9.667 231 HA LEU 42 HA LEU 42 98.782 0.630 -11.694 232 1HB LEU 42 HB2 LEU 42 101.187 2.346 -11.501 233 2HB LEU 42 HB1 LEU 42 101.166 1.206 -12.829 234 HG LEU 42 HG LEU 42 99.037 3.281 -12.299 235 1HD1 LEU 42 HD11 LEU 42 100.117 4.722 -13.639 236 2HD1 LEU 42 HD12 LEU 42 100.687 3.450 -14.719 237 3HD1 LEU 42 HD13 LEU 42 101.544 3.777 -13.213 238 1HD2 LEU 42 HD21 LEU 42 98.047 2.634 -14.332 239 2HD2 LEU 42 HD22 LEU 42 98.375 1.128 -13.478 240 3HD2 LEU 42 HD23 LEU 42 99.433 1.646 -14.788 241 HA PRO 43 HA PRO 43 100.932 -3.226 -11.615 242 1HB PRO 43 HB2 PRO 43 101.277 -3.874 -14.195 243 2HB PRO 43 HB1 PRO 43 99.668 -3.760 -13.471 244 1HG PRO 43 HG2 PRO 43 101.118 -1.783 -15.188 245 2HG PRO 43 HG1 PRO 43 99.414 -2.270 -15.236 246 1HD PRO 43 HD2 PRO 43 100.330 0.018 -14.030 247 2HD PRO 43 HD1 PRO 43 98.831 -0.813 -13.571 248 H ALA 44 HN ALA 44 102.779 -1.184 -11.103 249 HA ALA 44 HA ALA 44 104.992 -0.660 -11.139 250 1HB ALA 44 HB1 ALA 44 106.505 -2.670 -11.421 251 2HB ALA 44 HB2 ALA 44 105.039 -3.612 -11.694 252 3HB ALA 44 HB3 ALA 44 105.281 -2.781 -10.157 253 H VAL 45 HN VAL 45 104.008 0.358 -13.336 254 HA VAL 45 HA VAL 45 105.083 -0.641 -15.771 255 HB VAL 45 HB VAL 45 104.234 2.200 -15.195 256 1HG1 VAL 45 HG11 VAL 45 105.511 1.767 -17.296 257 2HG1 VAL 45 HG12 VAL 45 103.879 2.384 -17.554 258 3HG1 VAL 45 HG13 VAL 45 104.222 0.671 -17.793 259 1HG2 VAL 45 HG21 VAL 45 102.646 -0.272 -15.722 260 2HG2 VAL 45 HG22 VAL 45 102.073 1.275 -16.347 261 3HG2 VAL 45 HG23 VAL 45 102.320 1.061 -14.614 262 H ASP 46 HN ASP 46 106.123 1.870 -13.494 263 HA ASP 46 HA ASP 46 108.320 2.788 -15.007 264 1HB ASP 46 HB2 ASP 46 107.258 3.993 -13.073 265 2HB ASP 46 HB1 ASP 46 108.060 2.854 -11.995 266 H GLU 47 HN GLU 47 107.952 0.153 -12.718 267 HA GLU 47 HA GLU 47 110.786 -0.363 -12.596 268 1HB GLU 47 HB2 GLU 47 108.500 -2.106 -11.671 269 2HB GLU 47 HB1 GLU 47 110.194 -2.287 -11.237 270 1HG GLU 47 HG2 GLU 47 109.647 -1.124 -9.416 271 2HG GLU 47 HG1 GLU 47 109.705 0.280 -10.480 272 H LYS 48 HN LYS 48 107.952 -1.911 -14.075 273 HA LYS 48 HA LYS 48 109.226 -4.093 -15.234 274 1HB LYS 48 HB2 LYS 48 106.721 -3.525 -15.160 275 2HB LYS 48 HB1 LYS 48 107.015 -2.582 -16.614 276 1HG LYS 48 HG2 LYS 48 106.238 -4.673 -17.347 277 2HG LYS 48 HG1 LYS 48 107.981 -4.685 -17.627 278 1HD LYS 48 HD2 LYS 48 108.373 -6.081 -15.767 279 2HD LYS 48 HD1 LYS 48 106.753 -5.809 -15.122 280 1HE LYS 48 HE2 LYS 48 106.179 -6.844 -17.564 281 2HE LYS 48 HE1 LYS 48 107.682 -7.683 -17.189 282 1HZ LYS 48 HZ1 LYS 48 105.260 -8.476 -16.365 283 2HZ LYS 48 HZ2 LYS 48 105.775 -7.591 -15.019 284 3HZ LYS 48 HZ3 LYS 48 106.706 -8.883 -15.588 285 H LEU 49 HN LEU 49 109.337 -0.746 -16.064 286 HA LEU 49 HA LEU 49 110.687 -1.330 -18.606 287 1HB LEU 49 HB2 LEU 49 109.318 1.094 -17.495 288 2HB LEU 49 HB1 LEU 49 110.464 1.246 -18.813 289 HG LEU 49 HG LEU 49 108.139 -0.640 -19.016 290 1HD1 LEU 49 HD11 LEU 49 107.573 1.761 -20.409 291 2HD1 LEU 49 HD12 LEU 49 107.944 2.184 -18.738 292 3HD1 LEU 49 HD13 LEU 49 106.669 1.017 -19.090 293 1HD2 LEU 49 HD21 LEU 49 110.118 -0.641 -20.616 294 2HD2 LEU 49 HD22 LEU 49 109.527 0.924 -21.172 295 3HD2 LEU 49 HD23 LEU 49 108.512 -0.508 -21.332 296 H ARG 50 HN ARG 50 111.268 -0.334 -15.369 297 HA ARG 50 HA ARG 50 114.091 -0.140 -15.870 298 1HB ARG 50 HB2 ARG 50 112.442 2.292 -15.436 299 2HB ARG 50 HB1 ARG 50 113.969 2.205 -14.569 300 1HG ARG 50 HG2 ARG 50 115.067 1.730 -16.787 301 2HG ARG 50 HG1 ARG 50 113.525 2.146 -17.538 302 1HD ARG 50 HD2 ARG 50 115.212 3.929 -15.786 303 2HD ARG 50 HD1 ARG 50 114.991 4.074 -17.531 304 HE ARG 50 HE ARG 50 113.226 5.009 -15.490 305 1HH1 ARG 50 HH11 ARG 50 113.353 3.808 -18.765 306 2HH1 ARG 50 HH12 ARG 50 111.876 4.580 -19.239 307 1HH2 ARG 50 HH21 ARG 50 111.284 6.025 -16.111 308 2HH2 ARG 50 HH22 ARG 50 110.701 5.839 -17.731 309 H ASP 51 HN ASP 51 114.405 -1.726 -14.364 310 HA ASP 51 HA ASP 51 114.411 -0.914 -11.618 311 1HB ASP 51 HB2 ASP 51 112.058 -2.092 -12.438 312 2HB ASP 51 HB1 ASP 51 112.959 -3.454 -11.781 313 H LEU 52 HN LEU 52 114.531 -3.773 -13.745 314 HA LEU 52 HA LEU 52 116.176 -5.405 -12.260 315 1HB LEU 52 HB2 LEU 52 117.078 -6.124 -14.593 316 2HB LEU 52 HB1 LEU 52 115.400 -6.416 -14.177 317 HG LEU 52 HG LEU 52 115.877 -3.840 -15.507 318 1HD1 LEU 52 HD11 LEU 52 115.896 -5.175 -17.754 319 2HD1 LEU 52 HD12 LEU 52 116.672 -6.419 -16.773 320 3HD1 LEU 52 HD13 LEU 52 117.405 -4.820 -16.913 321 1HD2 LEU 52 HD21 LEU 52 113.994 -5.159 -16.928 322 2HD2 LEU 52 HD22 LEU 52 113.660 -4.224 -15.471 323 3HD2 LEU 52 HD23 LEU 52 113.858 -5.974 -15.369 324 H TYR 53 HN TYR 53 117.031 -2.639 -14.230 325 HA TYR 53 HA TYR 53 119.828 -2.989 -14.242 326 1HB TYR 53 HB2 TYR 53 118.168 -1.296 -15.494 327 2HB TYR 53 HB1 TYR 53 118.716 -0.234 -14.202 328 HD1 TYR 53 HD1 TYR 53 120.877 0.733 -14.253 329 HD2 TYR 53 HD2 TYR 53 119.864 -2.323 -17.033 330 HE1 TYR 53 HE1 TYR 53 122.957 1.177 -15.489 331 HE2 TYR 53 HE2 TYR 53 121.939 -1.888 -18.279 332 HH TYR 53 HH TYR 53 123.541 -0.015 -18.592 333 H SER 54 HN SER 54 117.812 -0.825 -12.246 334 HA SER 54 HA SER 54 120.026 -0.367 -10.434 335 1HB SER 54 HB2 SER 54 117.245 0.632 -9.931 336 2HB SER 54 HB1 SER 54 118.788 1.391 -9.545 337 HG SER 54 HG SER 54 118.314 2.484 -11.300 338 H LYS 55 HN LYS 55 118.384 -2.985 -10.703 339 HA LYS 55 HA LYS 55 117.782 -3.302 -7.837 340 1HB LYS 55 HB2 LYS 55 115.867 -3.665 -9.375 341 2HB LYS 55 HB1 LYS 55 116.766 -4.960 -10.154 342 1HG LYS 55 HG2 LYS 55 116.307 -6.428 -8.526 343 2HG LYS 55 HG1 LYS 55 116.518 -5.231 -7.247 344 1HD LYS 55 HD2 LYS 55 114.289 -5.367 -7.023 345 2HD LYS 55 HD1 LYS 55 114.236 -4.356 -8.468 346 1HE LYS 55 HE2 LYS 55 113.045 -5.984 -9.416 347 2HE LYS 55 HE1 LYS 55 114.539 -6.917 -9.467 348 1HZ LYS 55 HZ1 LYS 55 113.465 -8.388 -8.215 349 2HZ LYS 55 HZ2 LYS 55 112.201 -7.320 -7.872 350 3HZ LYS 55 HZ3 LYS 55 113.605 -7.292 -6.932 351 H SER 56 HN SER 56 119.942 -4.144 -10.293 352 HA SER 56 HA SER 56 120.937 -6.427 -8.708 353 1HB SER 56 HB2 SER 56 121.797 -7.412 -10.731 354 2HB SER 56 HB1 SER 56 120.101 -7.012 -11.000 355 HG SER 56 HG SER 56 120.859 -5.067 -12.029 356 H THR 57 HN THR 57 121.567 -3.271 -9.722 357 HA THR 57 HA THR 57 124.463 -3.616 -9.321 358 HB THR 57 HB THR 57 123.791 -2.683 -11.517 359 HG1 THR 57 HG1 THR 57 125.164 -0.917 -9.777 360 1HG2 THR 57 HG21 THR 57 123.083 -0.087 -10.293 361 2HG2 THR 57 HG22 THR 57 121.837 -1.334 -10.346 362 3HG2 THR 57 HG23 THR 57 122.603 -0.786 -11.838 363 H ALA 58 HN ALA 58 121.667 -2.502 -7.806 364 HA ALA 58 HA ALA 58 123.304 -1.013 -5.880 365 1HB ALA 58 HB1 ALA 58 120.982 0.436 -5.843 366 2HB ALA 58 HB2 ALA 58 121.194 0.107 -7.563 367 3HB ALA 58 HB3 ALA 58 122.472 0.914 -6.655 368 H ALA 59 HN ALA 59 120.055 -2.309 -6.545 369 HA ALA 59 HA ALA 59 119.183 -2.441 -3.895 370 1HB ALA 59 HB1 ALA 59 117.497 -3.979 -4.675 371 2HB ALA 59 HB2 ALA 59 118.425 -4.303 -6.138 372 3HB ALA 59 HB3 ALA 59 117.730 -2.706 -5.874 373 H MET 60 HN MET 60 121.637 -4.231 -5.429 374 HA MET 60 HA MET 60 121.629 -6.161 -3.208 375 1HB MET 60 HB2 MET 60 122.425 -7.892 -4.667 376 2HB MET 60 HB1 MET 60 120.973 -7.201 -5.377 377 1HG MET 60 HG2 MET 60 122.307 -5.919 -6.935 378 2HG MET 60 HG1 MET 60 123.788 -6.519 -6.192 379 1HE MET 60 HE1 MET 60 122.584 -10.062 -6.086 380 2HE MET 60 HE2 MET 60 123.914 -8.998 -5.631 381 3HE MET 60 HE3 MET 60 124.081 -10.079 -7.015 382 H SER 61 HN SER 61 123.567 -4.391 -5.575 383 HA SER 61 HA SER 61 126.068 -5.088 -4.381 384 1HB SER 61 HB2 SER 61 125.463 -4.243 -6.827 385 2HB SER 61 HB1 SER 61 125.814 -2.671 -6.108 386 HG SER 61 HG SER 61 127.828 -3.750 -5.358 387 H THR 62 HN THR 62 123.972 -2.223 -4.271 388 HA THR 62 HA THR 62 125.774 -0.706 -2.670 389 HB THR 62 HB THR 62 122.799 -0.321 -3.032 390 HG1 THR 62 HG1 THR 62 123.292 0.859 -4.783 391 1HG2 THR 62 HG21 THR 62 124.014 2.145 -2.813 392 2HG2 THR 62 HG22 THR 62 124.788 1.172 -1.561 393 3HG2 THR 62 HG23 THR 62 123.033 1.340 -1.588 394 H TYR 63 HN TYR 63 123.869 -3.360 -1.899 395 HA TYR 63 HA TYR 63 122.981 -2.629 0.689 396 1HB TYR 63 HB2 TYR 63 122.732 -4.799 -1.056 397 2HB TYR 63 HB1 TYR 63 123.513 -5.441 0.381 398 HD1 TYR 63 HD1 TYR 63 120.451 -3.985 -0.978 399 HD2 TYR 63 HD2 TYR 63 122.354 -5.441 2.538 400 HE1 TYR 63 HE1 TYR 63 118.271 -4.078 0.156 401 HE2 TYR 63 HE2 TYR 63 120.180 -5.539 3.681 402 HH TYR 63 HH TYR 63 117.321 -5.528 2.208 403 H THR 64 HN THR 64 125.936 -3.924 -0.636 404 HA THR 64 HA THR 64 127.146 -4.913 1.672 405 HB THR 64 HB THR 64 129.284 -4.545 0.522 406 HG1 THR 64 HG1 THR 64 127.709 -2.960 -1.214 407 1HG2 THR 64 HG21 THR 64 127.085 -5.467 -1.308 408 2HG2 THR 64 HG22 THR 64 128.113 -6.460 -0.274 409 3HG2 THR 64 HG23 THR 64 128.805 -5.624 -1.664 410 H GLY 65 HN GLY 65 126.451 -1.721 0.680 411 1HA GLY 65 HA2 GLY 65 128.231 -0.531 2.672 412 2HA GLY 65 HA1 GLY 65 127.306 0.341 1.456 413 H ILE 66 HN ILE 66 124.932 -1.456 2.248 414 HA ILE 66 HA ILE 66 124.030 0.296 4.406 415 HB ILE 66 HB ILE 66 122.416 -1.700 2.815 416 1HG1 ILE 66 HG12 ILE 66 123.337 -0.004 1.325 417 2HG1 ILE 66 HG11 ILE 66 121.611 0.263 1.539 418 1HG2 ILE 66 HG21 ILE 66 120.716 0.262 3.675 419 2HG2 ILE 66 HG22 ILE 66 121.827 0.107 5.036 420 3HG2 ILE 66 HG23 ILE 66 120.944 -1.304 4.454 421 1HD1 ILE 66 HD11 ILE 66 123.915 1.886 2.469 422 2HD1 ILE 66 HD12 ILE 66 122.435 1.890 3.428 423 3HD1 ILE 66 HD13 ILE 66 122.391 2.391 1.738 424 H PHE 67 HN PHE 67 125.384 -2.734 4.043 425 HA PHE 67 HA PHE 67 123.965 -4.296 5.889 426 1HB PHE 67 HB2 PHE 67 126.056 -4.656 4.170 427 2HB PHE 67 HB1 PHE 67 126.862 -4.743 5.732 428 HD1 PHE 67 HD1 PHE 67 123.786 -6.058 4.075 429 HD2 PHE 67 HD2 PHE 67 127.040 -6.813 6.712 430 HE1 PHE 67 HE1 PHE 67 123.034 -8.385 4.330 431 HE2 PHE 67 HE2 PHE 67 126.294 -9.144 6.970 432 HZ PHE 67 HZ PHE 67 124.288 -9.932 5.778 433 H THR 68 HN THR 68 126.884 -2.331 6.267 434 HA THR 68 HA THR 68 126.806 -2.676 9.162 435 HB THR 68 HB THR 68 128.860 -0.864 8.275 436 HG1 THR 68 HG1 THR 68 129.882 -2.099 6.784 437 1HG2 THR 68 HG21 THR 68 130.361 -2.659 9.082 438 2HG2 THR 68 HG22 THR 68 128.939 -3.663 9.361 439 3HG2 THR 68 HG23 THR 68 129.144 -2.158 10.256 440 H ASP 69 HN ASP 69 126.141 -0.255 6.739 441 HA ASP 69 HA ASP 69 126.253 2.063 8.264 442 1HB ASP 69 HB2 ASP 69 125.051 1.246 5.743 443 2HB ASP 69 HB1 ASP 69 124.092 2.468 6.569 444 H GLN 70 HN GLN 70 123.956 -0.516 8.364 445 HA GLN 70 HA GLN 70 121.999 1.073 9.803 446 1HB GLN 70 HB2 GLN 70 120.670 -1.015 9.854 447 2HB GLN 70 HB1 GLN 70 121.141 -0.545 8.227 448 1HG GLN 70 HG2 GLN 70 122.943 -2.190 8.268 449 2HG GLN 70 HG1 GLN 70 122.474 -2.663 9.901 450 1HE2 GLN 70 HE21 GLN 70 121.262 -2.409 6.595 451 2HE2 GLN 70 HE22 GLN 70 120.190 -3.761 6.692 452 H VAL 71 HN VAL 71 124.823 -0.259 10.670 453 HA VAL 71 HA VAL 71 123.904 -1.251 13.277 454 HB VAL 71 HB VAL 71 126.628 -1.399 11.972 455 1HG1 VAL 71 HG11 VAL 71 127.468 -1.916 13.962 456 2HG1 VAL 71 HG12 VAL 71 126.338 -3.264 14.091 457 3HG1 VAL 71 HG13 VAL 71 125.887 -1.673 14.706 458 1HG2 VAL 71 HG21 VAL 71 126.117 -3.464 11.205 459 2HG2 VAL 71 HG22 VAL 71 124.473 -2.826 11.256 460 3HG2 VAL 71 HG23 VAL 71 125.070 -3.833 12.575 461 H LEU 72 HN LEU 72 126.796 0.560 12.237 462 HA LEU 72 HA LEU 72 127.222 1.880 14.632 463 1HB LEU 72 HB2 LEU 72 128.421 3.581 13.170 464 2HB LEU 72 HB1 LEU 72 128.970 1.921 13.074 465 HG LEU 72 HG LEU 72 126.934 2.449 11.086 466 1HD1 LEU 72 HD11 LEU 72 127.490 4.599 10.683 467 2HD1 LEU 72 HD12 LEU 72 128.808 3.848 9.783 468 3HD1 LEU 72 HD13 LEU 72 129.085 4.442 11.420 469 1HD2 LEU 72 HD21 LEU 72 128.375 0.550 10.937 470 2HD2 LEU 72 HD22 LEU 72 129.814 1.567 11.009 471 3HD2 LEU 72 HD23 LEU 72 128.762 1.625 9.594 472 H SER 73 HN SER 73 124.951 2.513 12.091 473 HA SER 73 HA SER 73 124.321 5.206 12.783 474 1HB SER 73 HB2 SER 73 122.933 3.095 11.161 475 2HB SER 73 HB1 SER 73 122.198 4.666 11.463 476 HG SER 73 HG SER 73 124.620 4.110 10.105 477 H VAL 74 HN VAL 74 123.271 2.070 13.835 478 HA VAL 74 HA VAL 74 121.124 3.238 15.450 479 HB VAL 74 HB VAL 74 121.734 0.309 15.085 480 1HG1 VAL 74 HG11 VAL 74 119.870 -0.111 16.273 481 2HG1 VAL 74 HG12 VAL 74 118.985 1.231 15.550 482 3HG1 VAL 74 HG13 VAL 74 120.098 1.526 16.885 483 1HG2 VAL 74 HG21 VAL 74 121.304 1.510 12.914 484 2HG2 VAL 74 HG22 VAL 74 119.698 1.893 13.531 485 3HG2 VAL 74 HG23 VAL 74 120.173 0.212 13.294 486 H LEU 75 HN LEU 75 124.305 1.932 15.676 487 HA LEU 75 HA LEU 75 124.182 1.032 18.362 488 1HB LEU 75 HB2 LEU 75 126.486 1.921 16.634 489 2HB LEU 75 HB1 LEU 75 126.693 1.289 18.257 490 HG LEU 75 HG LEU 75 125.360 -0.250 16.037 491 1HD1 LEU 75 HD11 LEU 75 127.546 -1.544 16.067 492 2HD1 LEU 75 HD12 LEU 75 128.233 -0.150 16.901 493 3HD1 LEU 75 HD13 LEU 75 127.563 0.034 15.280 494 1HD2 LEU 75 HD21 LEU 75 124.934 -1.803 17.566 495 2HD2 LEU 75 HD22 LEU 75 125.431 -0.646 18.801 496 3HD2 LEU 75 HD23 LEU 75 126.604 -1.781 18.134 497 H LYS 76 HN LYS 76 125.223 4.096 16.887 498 HA LYS 76 HA LYS 76 124.837 5.392 19.495 499 1HB LYS 76 HB2 LYS 76 127.258 5.009 17.982 500 2HB LYS 76 HB1 LYS 76 126.941 6.720 18.224 501 1HG LYS 76 HG2 LYS 76 127.813 6.554 20.256 502 2HG LYS 76 HG1 LYS 76 126.479 5.491 20.706 503 1HD LYS 76 HD2 LYS 76 128.248 4.122 21.185 504 2HD LYS 76 HD1 LYS 76 127.977 3.679 19.499 505 1HE LYS 76 HE2 LYS 76 130.301 4.012 19.702 506 2HE LYS 76 HE1 LYS 76 129.684 5.458 18.904 507 1HZ LYS 76 HZ1 LYS 76 129.756 6.629 20.995 508 2HZ LYS 76 HZ2 LYS 76 131.280 5.970 20.669 509 3HZ LYS 76 HZ3 LYS 76 130.267 5.236 21.809 510 H GLY 77 HN GLY 77 125.894 6.318 16.246 511 1HA GLY 77 HA2 GLY 77 123.540 7.644 15.454 512 2HA GLY 77 HA1 GLY 77 124.635 8.816 16.185 513 H GLU 78 HN GLU 78 125.113 5.997 14.109 514 HA GLU 78 HA GLU 78 125.989 5.761 12.033 515 1HB GLU 78 HB2 GLU 78 124.806 8.076 11.762 516 2HB GLU 78 HB1 GLU 78 126.450 8.691 11.760 517 1HG GLU 78 HG2 GLU 78 126.925 7.818 9.723 518 2HG GLU 78 HG1 GLU 78 125.884 6.415 9.961 519 H GLU 79 HN GLU 79 127.553 5.133 13.970 520 HA GLU 79 HA GLU 79 130.166 5.533 13.042 521 1HB GLU 79 HB2 GLU 79 129.469 7.802 14.243 522 2HB GLU 79 HB1 GLU 79 129.936 6.901 15.678 523 1HG GLU 79 HG2 GLU 79 131.805 6.919 13.374 524 2HG GLU 79 HG1 GLU 79 131.651 8.388 14.335 Start of MODEL 22 1 H THR 13 H THR 13 96.105 -10.938 -9.697 2 HA THR 13 HA THR 13 97.165 -13.678 -9.834 3 HB THR 13 HB THR 13 97.689 -13.039 -7.350 4 HG1 THR 13 HG1 THR 13 96.993 -11.015 -7.148 5 1HG2 THR 13 HG21 THR 13 99.262 -12.799 -9.753 6 2HG2 THR 13 HG22 THR 13 99.716 -13.398 -8.158 7 3HG2 THR 13 HG23 THR 13 99.796 -11.671 -8.507 8 H PHE 14 HN PHE 14 95.762 -15.134 -9.130 9 HA PHE 14 HA PHE 14 93.141 -14.325 -8.273 10 1HB PHE 14 HB2 PHE 14 94.034 -16.449 -9.671 11 2HB PHE 14 HB1 PHE 14 93.939 -17.173 -8.069 12 HD1 PHE 14 HD1 PHE 14 91.779 -17.271 -6.883 13 HD2 PHE 14 HD2 PHE 14 92.079 -15.918 -10.906 14 HE1 PHE 14 HE1 PHE 14 89.355 -17.582 -7.164 15 HE2 PHE 14 HE2 PHE 14 89.656 -16.227 -11.196 16 HZ PHE 14 HZ PHE 14 88.290 -17.059 -9.323 17 H LEU 15 HN LEU 15 95.590 -16.470 -6.791 18 HA LEU 15 HA LEU 15 94.290 -16.499 -4.267 19 1HB LEU 15 HB2 LEU 15 96.474 -17.519 -3.490 20 2HB LEU 15 HB1 LEU 15 95.597 -18.374 -4.743 21 HG LEU 15 HG LEU 15 97.627 -16.491 -5.743 22 1HD1 LEU 15 HD11 LEU 15 99.322 -17.155 -4.475 23 2HD1 LEU 15 HD12 LEU 15 99.117 -18.779 -5.131 24 3HD1 LEU 15 HD13 LEU 15 98.304 -18.323 -3.633 25 1HD2 LEU 15 HD21 LEU 15 96.434 -19.098 -6.419 26 2HD2 LEU 15 HD22 LEU 15 98.129 -18.891 -6.862 27 3HD2 LEU 15 HD23 LEU 15 96.917 -17.761 -7.464 28 H THR 16 HN THR 16 97.059 -14.659 -5.523 29 HA THR 16 HA THR 16 97.753 -13.500 -3.035 30 HB THR 16 HB THR 16 98.272 -12.242 -5.722 31 HG1 THR 16 HG1 THR 16 99.675 -14.359 -4.463 32 1HG2 THR 16 HG21 THR 16 99.134 -11.646 -3.087 33 2HG2 THR 16 HG22 THR 16 99.572 -10.858 -4.604 34 3HG2 THR 16 HG23 THR 16 100.518 -12.224 -4.017 35 H GLN 17 HN GLN 17 95.152 -12.887 -5.160 36 HA GLN 17 HA GLN 17 94.804 -10.120 -4.592 37 1HB GLN 17 HB2 GLN 17 93.499 -12.105 -6.184 38 2HB GLN 17 HB1 GLN 17 92.289 -11.302 -5.192 39 1HG GLN 17 HG2 GLN 17 94.283 -9.835 -6.899 40 2HG GLN 17 HG1 GLN 17 92.668 -10.290 -7.443 41 1HE2 GLN 17 HE21 GLN 17 91.069 -9.752 -5.388 42 2HE2 GLN 17 HE22 GLN 17 91.125 -8.078 -4.964 43 H VAL 18 HN VAL 18 93.615 -13.106 -3.156 44 HA VAL 18 HA VAL 18 91.695 -12.073 -1.418 45 HB VAL 18 HB VAL 18 93.558 -14.383 -0.852 46 1HG1 VAL 18 HG11 VAL 18 90.759 -14.404 0.078 47 2HG1 VAL 18 HG12 VAL 18 91.829 -13.256 0.880 48 3HG1 VAL 18 HG13 VAL 18 92.226 -14.974 0.874 49 1HG2 VAL 18 HG21 VAL 18 92.574 -14.801 -2.972 50 2HG2 VAL 18 HG22 VAL 18 90.992 -14.252 -2.420 51 3HG2 VAL 18 HG23 VAL 18 91.670 -15.756 -1.797 52 H LYS 19 HN LYS 19 95.187 -12.239 -1.147 53 HA LYS 19 HA LYS 19 95.429 -11.544 1.578 54 1HB LYS 19 HB2 LYS 19 97.148 -12.172 -0.522 55 2HB LYS 19 HB1 LYS 19 97.567 -10.519 -0.103 56 1HG LYS 19 HG2 LYS 19 98.813 -11.316 1.544 57 2HG LYS 19 HG1 LYS 19 97.335 -11.867 2.335 58 1HD LYS 19 HD2 LYS 19 98.252 -13.911 2.174 59 2HD LYS 19 HD1 LYS 19 97.746 -13.834 0.486 60 1HE LYS 19 HE2 LYS 19 100.290 -12.507 0.937 61 2HE LYS 19 HE1 LYS 19 100.327 -14.202 1.421 62 1HZ LYS 19 HZ1 LYS 19 100.559 -13.200 -1.134 63 2HZ LYS 19 HZ2 LYS 19 99.017 -13.894 -1.078 64 3HZ LYS 19 HZ3 LYS 19 100.376 -14.823 -0.692 65 H GLU 20 HN GLU 20 95.957 -9.550 -1.315 66 HA GLU 20 HA GLU 20 96.111 -7.091 0.008 67 1HB GLU 20 HB2 GLU 20 95.377 -7.849 -2.811 68 2HB GLU 20 HB1 GLU 20 95.369 -6.170 -2.285 69 1HG GLU 20 HG2 GLU 20 97.820 -7.193 -1.436 70 2HG GLU 20 HG1 GLU 20 97.576 -7.841 -3.059 71 H SER 21 HN SER 21 93.423 -9.114 -0.660 72 HA SER 21 HA SER 21 91.415 -7.080 -0.616 73 1HB SER 21 HB2 SER 21 91.549 -9.772 -1.282 74 2HB SER 21 HB1 SER 21 90.529 -9.742 0.153 75 HG SER 21 HG SER 21 90.067 -8.707 -2.382 76 H LEU 22 HN LEU 22 92.301 -9.652 1.694 77 HA LEU 22 HA LEU 22 90.721 -8.613 3.799 78 1HB LEU 22 HB2 LEU 22 92.878 -10.655 3.565 79 2HB LEU 22 HB1 LEU 22 92.487 -10.055 5.165 80 HG LEU 22 HG LEU 22 91.312 -12.167 4.540 81 1HD1 LEU 22 HD11 LEU 22 90.089 -11.330 6.218 82 2HD1 LEU 22 HD12 LEU 22 88.933 -10.899 4.958 83 3HD1 LEU 22 HD13 LEU 22 90.091 -9.703 5.539 84 1HD2 LEU 22 HD21 LEU 22 90.889 -11.886 2.232 85 2HD2 LEU 22 HD22 LEU 22 90.064 -10.349 2.494 86 3HD2 LEU 22 HD23 LEU 22 89.313 -11.855 3.024 87 H SER 23 HN SER 23 93.988 -8.040 2.713 88 HA SER 23 HA SER 23 94.861 -6.651 5.045 89 1HB SER 23 HB2 SER 23 95.920 -6.705 2.214 90 2HB SER 23 HB1 SER 23 96.716 -5.855 3.538 91 H SER 24 HN SER 24 93.406 -5.690 1.990 92 HA SER 24 HA SER 24 93.718 -2.899 2.369 93 1HB SER 24 HB2 SER 24 91.782 -2.779 0.698 94 2HB SER 24 HB1 SER 24 93.266 -3.562 0.157 95 HG SER 24 HG SER 24 92.187 -5.341 -0.093 96 H TYR 25 HN TYR 25 91.340 -5.236 3.420 97 HA TYR 25 HA TYR 25 89.214 -3.616 4.114 98 1HB TYR 25 HB2 TYR 25 89.935 -6.250 4.398 99 2HB TYR 25 HB1 TYR 25 89.870 -5.701 6.065 100 HD1 TYR 25 HD1 TYR 25 87.686 -4.249 6.621 101 HD2 TYR 25 HD2 TYR 25 87.999 -7.098 3.477 102 HE1 TYR 25 HE1 TYR 25 85.239 -4.486 6.600 103 HE2 TYR 25 HE2 TYR 25 85.553 -7.344 3.448 104 HH TYR 25 HH TYR 25 83.475 -5.214 4.809 105 H TRP 26 HN TRP 26 92.259 -4.219 5.728 106 HA TRP 26 HA TRP 26 91.535 -2.403 7.918 107 1HB TRP 26 HB2 TRP 26 92.963 -4.819 7.855 108 2HB TRP 26 HB1 TRP 26 94.174 -3.574 8.142 109 HD1 TRP 26 HD1 TRP 26 93.246 -1.733 10.209 110 HE1 TRP 26 HE1 TRP 26 92.340 -2.427 12.517 111 HE3 TRP 26 HE3 TRP 26 91.938 -6.559 9.149 112 HZ2 TRP 26 HZ2 TRP 26 91.221 -4.719 13.727 113 HZ3 TRP 26 HZ3 TRP 26 90.960 -7.936 10.938 114 HH2 TRP 26 HH2 TRP 26 90.610 -7.034 13.179 115 H GLU 27 HN GLU 27 93.435 -2.624 5.047 116 HA GLU 27 HA GLU 27 95.421 -0.708 5.675 117 1HB GLU 27 HB2 GLU 27 95.214 -2.396 3.672 118 2HB GLU 27 HB1 GLU 27 94.405 -1.053 2.881 119 1HG GLU 27 HG2 GLU 27 96.421 0.343 3.412 120 2HG GLU 27 HG1 GLU 27 97.218 -1.142 3.929 121 H SER 28 HN SER 28 92.179 -0.437 4.306 122 HA SER 28 HA SER 28 92.338 2.274 3.563 123 1HB SER 28 HB2 SER 28 90.508 1.249 2.621 124 2HB SER 28 HB1 SER 28 90.112 0.352 4.084 125 HG SER 28 HG SER 28 89.595 3.063 3.475 126 H ALA 29 HN ALA 29 91.463 0.681 6.581 127 HA ALA 29 HA ALA 29 90.547 2.968 7.952 128 1HB ALA 29 HB1 ALA 29 91.539 0.280 8.762 129 2HB ALA 29 HB2 ALA 29 89.997 1.064 9.103 130 3HB ALA 29 HB3 ALA 29 91.444 1.540 9.992 131 H LYS 30 HN LYS 30 93.700 1.581 7.375 132 HA LYS 30 HA LYS 30 95.088 3.470 9.068 133 1HB LYS 30 HB2 LYS 30 95.821 1.149 7.374 134 2HB LYS 30 HB1 LYS 30 97.053 2.387 7.573 135 1HG LYS 30 HG2 LYS 30 95.720 1.523 10.049 136 2HG LYS 30 HG1 LYS 30 96.714 0.306 9.245 137 1HD LYS 30 HD2 LYS 30 98.656 1.495 9.550 138 2HD LYS 30 HD1 LYS 30 97.819 3.049 9.609 139 1HE LYS 30 HE2 LYS 30 98.401 2.786 11.815 140 2HE LYS 30 HE1 LYS 30 96.791 2.068 11.808 141 1HZ LYS 30 HZ1 LYS 30 97.948 0.448 12.874 142 2HZ LYS 30 HZ2 LYS 30 99.402 0.776 12.074 143 3HZ LYS 30 HZ3 LYS 30 98.177 -0.083 11.283 144 H THR 31 HN THR 31 94.064 3.244 5.761 145 HA THR 31 HA THR 31 95.896 5.090 4.633 146 HB THR 31 HB THR 31 93.123 4.259 3.775 147 HG1 THR 31 HG1 THR 31 94.775 2.619 3.827 148 1HG2 THR 31 HG21 THR 31 94.890 5.090 1.659 149 2HG2 THR 31 HG22 THR 31 94.554 6.403 2.790 150 3HG2 THR 31 HG23 THR 31 93.224 5.558 1.995 151 H ALA 32 HN ALA 32 92.641 5.402 6.003 152 HA ALA 32 HA ALA 32 92.165 8.078 5.406 153 1HB ALA 32 HB1 ALA 32 91.124 6.125 7.337 154 2HB ALA 32 HB2 ALA 32 90.265 7.254 6.288 155 3HB ALA 32 HB3 ALA 32 90.943 7.812 7.818 156 H ALA 33 HN ALA 33 94.355 6.632 7.607 157 HA ALA 33 HA ALA 33 94.715 9.009 9.231 158 1HB ALA 33 HB1 ALA 33 95.677 6.224 9.285 159 2HB ALA 33 HB2 ALA 33 95.188 7.284 10.606 160 3HB ALA 33 HB3 ALA 33 96.799 7.434 9.906 161 H GLN 34 HN GLN 34 96.216 7.424 6.499 162 HA GLN 34 HA GLN 34 98.555 9.136 6.547 163 1HB GLN 34 HB2 GLN 34 97.832 6.667 5.321 164 2HB GLN 34 HB1 GLN 34 98.263 7.793 4.042 165 1HG GLN 34 HG2 GLN 34 100.309 6.918 4.483 166 2HG GLN 34 HG1 GLN 34 100.319 8.263 5.622 167 1HE2 GLN 34 HE21 GLN 34 101.039 7.746 7.546 168 2HE2 GLN 34 HE22 GLN 34 100.889 6.209 8.320 169 H ASN 35 HN ASN 35 95.507 8.876 4.826 170 HA ASN 35 HA ASN 35 95.943 10.636 2.728 171 1HB ASN 35 HB2 ASN 35 93.867 9.127 3.668 172 2HB ASN 35 HB1 ASN 35 93.278 10.762 3.952 173 1HD2 ASN 35 HD21 ASN 35 92.235 8.844 2.111 174 2HD2 ASN 35 HD22 ASN 35 92.376 9.521 0.529 175 H LEU 36 HN LEU 36 94.680 11.293 5.996 176 HA LEU 36 HA LEU 36 94.183 13.996 5.752 177 1HB LEU 36 HB2 LEU 36 94.086 12.104 7.705 178 2HB LEU 36 HB1 LEU 36 95.378 13.133 8.289 179 HG LEU 36 HG LEU 36 93.877 15.076 8.228 180 1HD1 LEU 36 HD11 LEU 36 91.938 13.059 7.146 181 2HD1 LEU 36 HD12 LEU 36 92.372 14.638 6.491 182 3HD1 LEU 36 HD13 LEU 36 91.396 14.530 7.956 183 1HD2 LEU 36 HD21 LEU 36 93.966 13.157 10.106 184 2HD2 LEU 36 HD22 LEU 36 92.248 13.118 9.714 185 3HD2 LEU 36 HD23 LEU 36 92.994 14.621 10.256 186 H TYR 37 HN TYR 37 97.211 12.304 6.340 187 HA TYR 37 HA TYR 37 98.688 14.822 6.603 188 1HB TYR 37 HB2 TYR 37 98.989 12.327 7.755 189 2HB TYR 37 HB1 TYR 37 100.250 12.351 6.527 190 HD1 TYR 37 HD1 TYR 37 98.887 14.306 9.383 191 HD2 TYR 37 HD2 TYR 37 102.260 13.476 6.926 192 HE1 TYR 37 HE1 TYR 37 100.294 15.683 10.859 193 HE2 TYR 37 HE2 TYR 37 103.677 14.846 8.396 194 HH TYR 37 HH TYR 37 102.644 15.935 11.455 195 H GLU 38 HN GLU 38 97.572 13.016 4.107 196 HA GLU 38 HA GLU 38 98.025 12.919 1.887 197 1HB GLU 38 HB2 GLU 38 98.966 15.385 2.700 198 2HB GLU 38 HB1 GLU 38 100.354 14.686 1.876 199 1HG GLU 38 HG2 GLU 38 99.443 15.429 -0.006 200 2HG GLU 38 HG1 GLU 38 98.260 14.134 0.174 201 H LYS 39 HN LYS 39 99.298 11.166 3.796 202 HA LYS 39 HA LYS 39 100.901 9.568 3.937 203 1HB LYS 39 HB2 LYS 39 100.572 10.086 1.037 204 2HB LYS 39 HB1 LYS 39 101.943 9.101 1.526 205 1HG LYS 39 HG2 LYS 39 100.481 7.520 2.605 206 2HG LYS 39 HG1 LYS 39 99.081 8.546 2.280 207 1HD LYS 39 HD2 LYS 39 99.544 8.280 -0.157 208 2HD LYS 39 HD1 LYS 39 100.809 7.121 0.257 209 1HE LYS 39 HE2 LYS 39 97.919 6.840 1.068 210 2HE LYS 39 HE1 LYS 39 98.623 6.086 -0.362 211 1HZ LYS 39 HZ1 LYS 39 98.913 5.380 2.437 212 2HZ LYS 39 HZ2 LYS 39 100.329 5.283 1.517 213 3HZ LYS 39 HZ3 LYS 39 98.962 4.397 1.060 214 H THR 40 HN THR 40 101.650 12.535 3.996 215 HA THR 40 HA THR 40 104.362 12.616 3.050 216 HB THR 40 HB THR 40 102.818 14.514 4.826 217 HG1 THR 40 HG1 THR 40 102.110 14.167 2.581 218 1HG2 THR 40 HG21 THR 40 105.382 14.974 3.330 219 2HG2 THR 40 HG22 THR 40 105.211 14.848 5.081 220 3HG2 THR 40 HG23 THR 40 104.458 16.188 4.215 221 H TYR 41 HN TYR 41 102.832 11.395 5.824 222 HA TYR 41 HA TYR 41 104.557 11.949 7.897 223 1HB TYR 41 HB2 TYR 41 102.386 10.328 7.546 224 2HB TYR 41 HB1 TYR 41 103.672 9.145 7.771 225 HD1 TYR 41 HD1 TYR 41 101.547 11.591 9.368 226 HD2 TYR 41 HD2 TYR 41 105.023 9.192 9.880 227 HE1 TYR 41 HE1 TYR 41 101.404 11.913 11.801 228 HE2 TYR 41 HE2 TYR 41 104.890 9.510 12.315 229 HH TYR 41 HH TYR 41 103.181 10.066 14.008 230 H LEU 42 HN LEU 42 104.958 9.790 5.192 231 HA LEU 42 HA LEU 42 107.411 8.661 6.261 232 1HB LEU 42 HB2 LEU 42 106.015 8.262 3.614 233 2HB LEU 42 HB1 LEU 42 107.455 7.400 4.123 234 HG LEU 42 HG LEU 42 105.337 7.159 6.091 235 1HD1 LEU 42 HD11 LEU 42 104.565 6.948 3.304 236 2HD1 LEU 42 HD12 LEU 42 103.570 6.928 4.759 237 3HD1 LEU 42 HD13 LEU 42 104.316 5.439 4.181 238 1HD2 LEU 42 HD21 LEU 42 107.125 5.657 6.216 239 2HD2 LEU 42 HD22 LEU 42 107.074 5.311 4.488 240 3HD2 LEU 42 HD23 LEU 42 105.803 4.701 5.547 241 HA PRO 43 HA PRO 43 109.799 11.872 4.301 242 1HB PRO 43 HB2 PRO 43 112.257 10.943 4.870 243 2HB PRO 43 HB1 PRO 43 111.206 11.633 6.112 244 1HG PRO 43 HG2 PRO 43 111.752 8.762 5.472 245 2HG PRO 43 HG1 PRO 43 111.623 9.550 7.054 246 1HD PRO 43 HD2 PRO 43 109.598 8.114 5.903 247 2HD PRO 43 HD1 PRO 43 109.336 9.431 7.063 248 H ALA 44 HN ALA 44 108.728 10.069 2.458 249 HA ALA 44 HA ALA 44 110.748 10.126 0.438 250 1HB ALA 44 HB1 ALA 44 110.743 7.843 1.976 251 2HB ALA 44 HB2 ALA 44 111.444 8.013 0.368 252 3HB ALA 44 HB3 ALA 44 109.808 7.381 0.554 253 H VAL 45 HN VAL 45 107.788 10.773 1.156 254 HA VAL 45 HA VAL 45 106.645 9.795 -1.385 255 HB VAL 45 HB VAL 45 104.988 10.563 1.002 256 1HG1 VAL 45 HG11 VAL 45 104.523 9.409 -1.667 257 2HG1 VAL 45 HG12 VAL 45 103.466 10.395 -0.656 258 3HG1 VAL 45 HG13 VAL 45 103.617 8.666 -0.350 259 1HG2 VAL 45 HG21 VAL 45 104.890 8.299 1.731 260 2HG2 VAL 45 HG22 VAL 45 106.597 8.716 1.581 261 3HG2 VAL 45 HG23 VAL 45 105.815 7.744 0.336 262 H ASP 46 HN ASP 46 105.913 12.324 1.021 263 HA ASP 46 HA ASP 46 105.462 14.544 0.786 264 1HB ASP 46 HB2 ASP 46 106.826 14.496 -1.868 265 2HB ASP 46 HB1 ASP 46 106.720 15.820 -0.720 266 H GLU 47 HN GLU 47 103.239 14.264 0.586 267 HA GLU 47 HA GLU 47 101.180 14.348 -0.435 268 1HB GLU 47 HB2 GLU 47 102.820 15.979 -2.379 269 2HB GLU 47 HB1 GLU 47 101.062 15.934 -2.351 270 1HG GLU 47 HG2 GLU 47 100.918 17.180 -0.435 271 2HG GLU 47 HG1 GLU 47 102.506 16.674 0.141 272 H LYS 48 HN LYS 48 103.051 12.150 -1.229 273 HA LYS 48 HA LYS 48 103.278 10.510 -2.778 274 1HB LYS 48 HB2 LYS 48 101.283 9.520 -3.322 275 2HB LYS 48 HB1 LYS 48 100.753 10.619 -2.060 276 1HG LYS 48 HG2 LYS 48 100.548 12.059 -4.464 277 2HG LYS 48 HG1 LYS 48 99.914 10.450 -4.798 278 1HD LYS 48 HD2 LYS 48 98.765 10.948 -2.403 279 2HD LYS 48 HD1 LYS 48 98.860 12.582 -3.062 280 1HE LYS 48 HE2 LYS 48 97.955 10.905 -5.145 281 2HE LYS 48 HE1 LYS 48 97.032 10.476 -3.706 282 1HZ LYS 48 HZ1 LYS 48 97.379 13.298 -4.488 283 2HZ LYS 48 HZ2 LYS 48 96.175 12.604 -3.524 284 3HZ LYS 48 HZ3 LYS 48 96.170 12.350 -5.196 285 H LEU 49 HN LEU 49 104.011 13.205 -3.475 286 HA LEU 49 HA LEU 49 103.700 13.120 -6.402 287 1HB LEU 49 HB2 LEU 49 102.852 15.173 -6.193 288 2HB LEU 49 HB1 LEU 49 103.233 15.214 -4.483 289 HG LEU 49 HG LEU 49 105.542 15.963 -5.078 290 1HD1 LEU 49 HD11 LEU 49 105.315 17.070 -7.551 291 2HD1 LEU 49 HD12 LEU 49 104.462 15.542 -7.770 292 3HD1 LEU 49 HD13 LEU 49 106.131 15.545 -7.202 293 1HD2 LEU 49 HD21 LEU 49 103.225 17.667 -5.987 294 2HD2 LEU 49 HD22 LEU 49 104.854 18.267 -5.682 295 3HD2 LEU 49 HD23 LEU 49 103.907 17.579 -4.363 296 H ARG 50 HN ARG 50 105.895 13.891 -3.678 297 HA ARG 50 HA ARG 50 108.138 14.073 -5.528 298 1HB ARG 50 HB2 ARG 50 107.782 15.335 -3.239 299 2HB ARG 50 HB1 ARG 50 108.523 13.884 -2.574 300 1HG ARG 50 HG2 ARG 50 110.470 14.234 -4.030 301 2HG ARG 50 HG1 ARG 50 109.727 15.716 -4.636 302 1HD ARG 50 HD2 ARG 50 109.855 16.753 -2.501 303 2HD ARG 50 HD1 ARG 50 110.288 15.232 -1.719 304 HE ARG 50 HE ARG 50 112.153 16.107 -3.734 305 1HH1 ARG 50 HH11 ARG 50 111.273 16.286 -0.360 306 2HH1 ARG 50 HH12 ARG 50 112.876 16.675 0.165 307 1HH2 ARG 50 HH21 ARG 50 114.260 16.614 -3.045 308 2HH2 ARG 50 HH22 ARG 50 114.573 16.862 -1.360 309 H ASP 51 HN ASP 51 106.409 11.603 -4.186 310 HA ASP 51 HA ASP 51 108.396 9.760 -3.406 311 1HB ASP 51 HB2 ASP 51 105.710 9.734 -3.327 312 2HB ASP 51 HB1 ASP 51 105.956 8.734 -4.753 313 H LEU 52 HN LEU 52 106.635 10.062 -6.486 314 HA LEU 52 HA LEU 52 107.876 8.089 -7.938 315 1HB LEU 52 HB2 LEU 52 107.325 9.369 -9.942 316 2HB LEU 52 HB1 LEU 52 105.998 9.375 -8.793 317 HG LEU 52 HG LEU 52 107.247 11.668 -8.085 318 1HD1 LEU 52 HD11 LEU 52 108.589 11.000 -10.392 319 2HD1 LEU 52 HD12 LEU 52 108.490 12.608 -9.677 320 3HD1 LEU 52 HD13 LEU 52 107.366 12.140 -10.952 321 1HD2 LEU 52 HD21 LEU 52 105.571 12.639 -9.938 322 2HD2 LEU 52 HD22 LEU 52 105.027 11.959 -8.404 323 3HD2 LEU 52 HD23 LEU 52 104.996 10.972 -9.867 324 H TYR 53 HN TYR 53 109.086 11.241 -7.076 325 HA TYR 53 HA TYR 53 111.284 11.343 -8.848 326 1HB TYR 53 HB2 TYR 53 110.169 13.118 -7.167 327 2HB TYR 53 HB1 TYR 53 111.518 12.600 -6.164 328 HD1 TYR 53 HD1 TYR 53 113.774 13.220 -6.707 329 HD2 TYR 53 HD2 TYR 53 110.580 14.223 -9.333 330 HE1 TYR 53 HE1 TYR 53 115.272 14.727 -7.945 331 HE2 TYR 53 HE2 TYR 53 112.070 15.734 -10.576 332 HH TYR 53 HH TYR 53 114.192 17.034 -10.095 333 H SER 54 HN SER 54 111.160 10.549 -5.370 334 HA SER 54 HA SER 54 113.805 9.339 -5.541 335 1HB SER 54 HB2 SER 54 113.090 10.879 -3.651 336 2HB SER 54 HB1 SER 54 112.064 9.562 -3.085 337 HG SER 54 HG SER 54 114.827 9.819 -3.039 338 H LYS 55 HN LYS 55 111.173 8.156 -6.615 339 HA LYS 55 HA LYS 55 111.416 5.541 -5.273 340 1HB LYS 55 HB2 LYS 55 109.179 6.675 -5.088 341 2HB LYS 55 HB1 LYS 55 109.030 6.545 -6.835 342 1HG LYS 55 HG2 LYS 55 109.510 3.993 -6.313 343 2HG LYS 55 HG1 LYS 55 108.842 4.450 -4.746 344 1HD LYS 55 HD2 LYS 55 106.885 3.939 -5.768 345 2HD LYS 55 HD1 LYS 55 107.026 5.598 -6.352 346 1HE LYS 55 HE2 LYS 55 108.443 3.652 -8.007 347 2HE LYS 55 HE1 LYS 55 106.705 3.365 -7.918 348 1HZ LYS 55 HZ1 LYS 55 107.159 4.812 -9.745 349 2HZ LYS 55 HZ2 LYS 55 108.052 5.869 -8.771 350 3HZ LYS 55 HZ3 LYS 55 106.382 5.719 -8.546 351 H SER 56 HN SER 56 111.959 7.247 -8.146 352 HA SER 56 HA SER 56 112.080 4.743 -9.701 353 1HB SER 56 HB2 SER 56 112.098 7.514 -10.887 354 2HB SER 56 HB1 SER 56 111.720 5.984 -11.678 355 HG SER 56 HG SER 56 109.735 6.536 -11.247 356 H THR 57 HN THR 57 113.874 7.471 -8.503 357 HA THR 57 HA THR 57 116.246 6.600 -9.999 358 HB THR 57 HB THR 57 115.542 8.983 -10.195 359 HG1 THR 57 HG1 THR 57 117.607 8.937 -10.618 360 1HG2 THR 57 HG21 THR 57 115.245 10.365 -8.485 361 2HG2 THR 57 HG22 THR 57 116.701 9.801 -7.666 362 3HG2 THR 57 HG23 THR 57 115.184 8.921 -7.473 363 H ALA 58 HN ALA 58 114.899 5.856 -7.134 364 HA ALA 58 HA ALA 58 117.510 5.292 -5.967 365 1HB ALA 58 HB1 ALA 58 116.638 6.076 -3.703 366 2HB ALA 58 HB2 ALA 58 115.421 6.969 -4.617 367 3HB ALA 58 HB3 ALA 58 117.135 7.316 -4.853 368 H ALA 59 HN ALA 59 113.999 4.989 -5.463 369 HA ALA 59 HA ALA 59 114.169 2.710 -3.815 370 1HB ALA 59 HB1 ALA 59 111.898 3.631 -5.569 371 2HB ALA 59 HB2 ALA 59 112.173 4.092 -3.890 372 3HB ALA 59 HB3 ALA 59 111.780 2.420 -4.293 373 H MET 60 HN MET 60 114.810 3.040 -7.128 374 HA MET 60 HA MET 60 114.559 0.123 -7.457 375 1HB MET 60 HB2 MET 60 113.813 0.376 -9.709 376 2HB MET 60 HB1 MET 60 112.796 1.393 -8.698 377 1HG MET 60 HG2 MET 60 114.112 3.349 -9.357 378 2HG MET 60 HG1 MET 60 115.099 2.322 -10.397 379 1HE MET 60 HE1 MET 60 113.989 0.605 -11.801 380 2HE MET 60 HE2 MET 60 113.332 1.361 -13.252 381 3HE MET 60 HE3 MET 60 112.255 0.544 -12.119 382 H SER 61 HN SER 61 116.215 3.072 -8.512 383 HA SER 61 HA SER 61 118.281 1.577 -9.860 384 1HB SER 61 HB2 SER 61 117.299 4.067 -10.238 385 2HB SER 61 HB1 SER 61 118.723 4.442 -9.268 386 HG SER 61 HG SER 61 120.010 3.667 -10.819 387 H THR 62 HN THR 62 118.029 3.515 -6.898 388 HA THR 62 HA THR 62 120.775 2.957 -6.186 389 HB THR 62 HB THR 62 118.620 4.301 -4.550 390 HG1 THR 62 HG1 THR 62 120.588 5.431 -6.249 391 1HG2 THR 62 HG21 THR 62 121.602 4.582 -4.317 392 2HG2 THR 62 HG22 THR 62 120.621 3.548 -3.278 393 3HG2 THR 62 HG23 THR 62 120.367 5.293 -3.277 394 H TYR 63 HN TYR 63 117.729 1.462 -5.692 395 HA TYR 63 HA TYR 63 118.253 0.224 -3.192 396 1HB TYR 63 HB2 TYR 63 116.109 0.477 -4.922 397 2HB TYR 63 HB1 TYR 63 116.487 -1.240 -4.967 398 HD1 TYR 63 HD1 TYR 63 115.668 1.556 -2.671 399 HD2 TYR 63 HD2 TYR 63 115.868 -2.663 -3.187 400 HE1 TYR 63 HE1 TYR 63 114.494 1.244 -0.533 401 HE2 TYR 63 HE2 TYR 63 114.691 -2.985 -1.052 402 HH TYR 63 HH TYR 63 114.508 -1.181 1.238 403 H THR 64 HN THR 64 118.966 -0.538 -6.521 404 HA THR 64 HA THR 64 119.509 -3.257 -6.348 405 HB THR 64 HB THR 64 121.411 -1.696 -7.980 406 HG1 THR 64 HG1 THR 64 118.628 -1.556 -8.499 407 1HG2 THR 64 HG21 THR 64 120.102 -3.126 -9.760 408 2HG2 THR 64 HG22 THR 64 119.654 -4.055 -8.329 409 3HG2 THR 64 HG23 THR 64 121.354 -3.833 -8.739 410 H GLY 65 HN GLY 65 121.197 -0.548 -5.109 411 1HA GLY 65 HA2 GLY 65 123.590 -2.114 -4.495 412 2HA GLY 65 HA1 GLY 65 123.400 -0.380 -4.266 413 H ILE 66 HN ILE 66 120.663 -1.026 -3.028 414 HA ILE 66 HA ILE 66 121.702 -1.416 -0.333 415 HB ILE 66 HB ILE 66 118.912 -0.648 -1.187 416 1HG1 ILE 66 HG12 ILE 66 120.501 1.045 -1.910 417 2HG1 ILE 66 HG11 ILE 66 119.573 1.648 -0.542 418 1HG2 ILE 66 HG21 ILE 66 120.210 -1.124 1.409 419 2HG2 ILE 66 HG22 ILE 66 118.512 -1.242 0.948 420 3HG2 ILE 66 HG23 ILE 66 119.220 0.333 1.307 421 1HD1 ILE 66 HD11 ILE 66 122.341 0.490 -0.346 422 2HD1 ILE 66 HD12 ILE 66 121.419 1.265 0.942 423 3HD1 ILE 66 HD13 ILE 66 121.971 2.212 -0.439 424 H PHE 67 HN PHE 67 120.234 -3.204 -2.773 425 HA PHE 67 HA PHE 67 118.556 -4.925 -1.332 426 1HB PHE 67 HB2 PHE 67 119.243 -4.540 -3.952 427 2HB PHE 67 HB1 PHE 67 119.988 -6.096 -3.608 428 HD1 PHE 67 HD1 PHE 67 117.005 -4.429 -4.515 429 HD2 PHE 67 HD2 PHE 67 118.474 -7.882 -2.511 430 HE1 PHE 67 HE1 PHE 67 114.825 -5.528 -4.822 431 HE2 PHE 67 HE2 PHE 67 116.299 -8.990 -2.815 432 HZ PHE 67 HZ PHE 67 114.470 -7.813 -3.972 433 H THR 68 HN THR 68 121.948 -5.190 -2.266 434 HA THR 68 HA THR 68 122.393 -7.712 -1.058 435 HB THR 68 HB THR 68 124.705 -5.898 -1.296 436 HG1 THR 68 HG1 THR 68 124.434 -5.364 -3.309 437 1HG2 THR 68 HG21 THR 68 125.271 -7.870 -2.950 438 2HG2 THR 68 HG22 THR 68 124.012 -8.683 -2.020 439 3HG2 THR 68 HG23 THR 68 125.438 -8.042 -1.204 440 H ASP 69 HN ASP 69 122.231 -4.509 0.191 441 HA ASP 69 HA ASP 69 123.911 -4.601 2.386 442 1HB ASP 69 HB2 ASP 69 121.932 -2.879 1.429 443 2HB ASP 69 HB1 ASP 69 121.391 -3.318 3.047 444 H GLN 70 HN GLN 70 120.881 -6.194 1.861 445 HA GLN 70 HA GLN 70 120.631 -6.953 4.656 446 1HB GLN 70 HB2 GLN 70 118.906 -7.176 2.235 447 2HB GLN 70 HB1 GLN 70 118.640 -8.310 3.553 448 1HG GLN 70 HG2 GLN 70 118.755 -5.955 4.895 449 2HG GLN 70 HG1 GLN 70 118.036 -5.451 3.367 450 1HE2 GLN 70 HE21 GLN 70 116.685 -5.309 5.775 451 2HE2 GLN 70 HE22 GLN 70 115.371 -6.431 5.752 452 H VAL 71 HN VAL 71 122.579 -7.971 2.313 453 HA VAL 71 HA VAL 71 122.243 -10.849 2.805 454 HB VAL 71 HB VAL 71 123.998 -9.418 0.805 455 1HG1 VAL 71 HG11 VAL 71 124.762 -11.427 0.053 456 2HG1 VAL 71 HG12 VAL 71 123.296 -12.286 0.523 457 3HG1 VAL 71 HG13 VAL 71 124.498 -11.863 1.741 458 1HG2 VAL 71 HG21 VAL 71 121.640 -11.061 0.031 459 2HG2 VAL 71 HG22 VAL 71 122.388 -9.695 -0.797 460 3HG2 VAL 71 HG23 VAL 71 121.376 -9.420 0.621 461 H LEU 72 HN LEU 72 125.021 -8.608 2.470 462 HA LEU 72 HA LEU 72 126.819 -10.249 3.795 463 1HB LEU 72 HB2 LEU 72 127.892 -7.866 4.371 464 2HB LEU 72 HB1 LEU 72 128.009 -8.609 2.789 465 HG LEU 72 HG LEU 72 125.689 -6.814 3.276 466 1HD1 LEU 72 HD11 LEU 72 126.848 -4.965 3.680 467 2HD1 LEU 72 HD12 LEU 72 127.903 -5.278 2.303 468 3HD1 LEU 72 HD13 LEU 72 128.296 -5.952 3.883 469 1HD2 LEU 72 HD21 LEU 72 125.698 -6.589 1.011 470 2HD2 LEU 72 HD22 LEU 72 126.480 -8.165 1.131 471 3HD2 LEU 72 HD23 LEU 72 127.452 -6.712 0.892 472 H SER 73 HN SER 73 124.364 -8.143 4.976 473 HA SER 73 HA SER 73 125.295 -7.980 7.663 474 1HB SER 73 HB2 SER 73 123.591 -6.489 6.341 475 2HB SER 73 HB1 SER 73 122.422 -7.659 6.947 476 HG SER 73 HG SER 73 123.618 -5.629 8.248 477 H VAL 74 HN VAL 74 123.958 -10.482 5.870 478 HA VAL 74 HA VAL 74 123.015 -11.824 8.320 479 HB VAL 74 HB VAL 74 122.007 -12.370 5.533 480 1HG1 VAL 74 HG11 VAL 74 121.613 -14.288 6.773 481 2HG1 VAL 74 HG12 VAL 74 120.111 -13.386 6.974 482 3HG1 VAL 74 HG13 VAL 74 121.317 -13.389 8.261 483 1HG2 VAL 74 HG21 VAL 74 120.675 -10.767 7.714 484 2HG2 VAL 74 HG22 VAL 74 119.994 -11.157 6.135 485 3HG2 VAL 74 HG23 VAL 74 121.398 -10.098 6.252 486 H LEU 75 HN LEU 75 125.069 -12.047 5.488 487 HA LEU 75 HA LEU 75 125.838 -14.733 6.453 488 1HB LEU 75 HB2 LEU 75 126.239 -15.357 4.031 489 2HB LEU 75 HB1 LEU 75 124.580 -15.286 4.592 490 HG LEU 75 HG LEU 75 125.126 -12.733 3.571 491 1HD1 LEU 75 HD11 LEU 75 127.043 -14.281 2.481 492 2HD1 LEU 75 HD12 LEU 75 126.317 -12.892 1.672 493 3HD1 LEU 75 HD13 LEU 75 125.738 -14.520 1.318 494 1HD2 LEU 75 HD21 LEU 75 123.178 -13.106 2.530 495 2HD2 LEU 75 HD22 LEU 75 123.160 -14.625 3.420 496 3HD2 LEU 75 HD23 LEU 75 123.762 -14.581 1.763 497 H LYS 76 HN LYS 76 127.042 -11.649 5.740 498 HA LYS 76 HA LYS 76 129.690 -12.804 5.120 499 1HB LYS 76 HB2 LYS 76 128.306 -10.567 4.108 500 2HB LYS 76 HB1 LYS 76 129.705 -9.955 4.968 501 1HG LYS 76 HG2 LYS 76 130.330 -12.234 3.272 502 2HG LYS 76 HG1 LYS 76 129.658 -10.870 2.375 503 1HD LYS 76 HD2 LYS 76 131.353 -9.439 3.660 504 2HD LYS 76 HD1 LYS 76 132.131 -10.967 4.078 505 1HE LYS 76 HE2 LYS 76 132.336 -11.494 1.686 506 2HE LYS 76 HE1 LYS 76 131.597 -9.944 1.290 507 1HZ LYS 76 HZ1 LYS 76 133.463 -8.808 1.845 508 2HZ LYS 76 HZ2 LYS 76 134.198 -10.263 1.395 509 3HZ LYS 76 HZ3 LYS 76 133.943 -9.914 3.031 510 H GLY 77 HN GLY 77 127.907 -11.464 7.649 511 1HA GLY 77 HA2 GLY 77 129.048 -11.685 9.843 512 2HA GLY 77 HA1 GLY 77 130.395 -10.826 9.106 513 H GLU 78 HN GLU 78 126.948 -10.161 8.792 514 HA GLU 78 HA GLU 78 125.694 -8.351 9.281 515 1HB GLU 78 HB2 GLU 78 126.886 -9.015 11.558 516 2HB GLU 78 HB1 GLU 78 127.580 -7.411 11.361 517 1HG GLU 78 HG2 GLU 78 125.700 -6.433 12.016 518 2HG GLU 78 HG1 GLU 78 124.742 -7.374 10.873 519 H GLU 79 HN GLU 79 126.967 -7.824 7.076 520 HA GLU 79 HA GLU 79 127.736 -6.153 5.739 521 1HB GLU 79 HB2 GLU 79 126.856 -4.633 8.158 522 2HB GLU 79 HB1 GLU 79 127.752 -3.792 6.902 523 1HG GLU 79 HG2 GLU 79 126.082 -4.129 5.316 524 2HG GLU 79 HG1 GLU 79 125.327 -5.419 6.250 Start of MODEL 23 1 H THR 13 H THR 13 94.219 17.462 -7.561 2 HA THR 13 HA THR 13 92.920 16.815 -5.791 3 HB THR 13 HB THR 13 93.460 14.461 -4.794 4 HG1 THR 13 HG1 THR 13 95.192 14.005 -6.195 5 1HG2 THR 13 HG21 THR 13 92.057 14.047 -7.341 6 2HG2 THR 13 HG22 THR 13 91.410 15.313 -6.298 7 3HG2 THR 13 HG23 THR 13 91.566 13.665 -5.691 8 H PHE 14 HN PHE 14 93.797 15.892 -3.479 9 HA PHE 14 HA PHE 14 96.595 16.262 -3.032 10 1HB PHE 14 HB2 PHE 14 95.205 18.620 -3.250 11 2HB PHE 14 HB1 PHE 14 95.156 18.327 -1.515 12 HD1 PHE 14 HD1 PHE 14 97.042 19.651 -4.182 13 HD2 PHE 14 HD2 PHE 14 97.428 17.742 -0.398 14 HE1 PHE 14 HE1 PHE 14 99.335 20.519 -3.982 15 HE2 PHE 14 HE2 PHE 14 99.721 18.610 -0.190 16 HZ PHE 14 HZ PHE 14 100.677 20.000 -1.984 17 H LEU 15 HN LEU 15 93.450 16.667 -1.392 18 HA LEU 15 HA LEU 15 94.224 15.772 1.126 19 1HB LEU 15 HB2 LEU 15 91.792 15.188 1.415 20 2HB LEU 15 HB1 LEU 15 92.130 16.837 0.923 21 HG LEU 15 HG LEU 15 91.766 15.512 -1.484 22 1HD1 LEU 15 HD11 LEU 15 90.749 13.582 -0.905 23 2HD1 LEU 15 HD12 LEU 15 89.328 14.623 -0.811 24 3HD1 LEU 15 HD13 LEU 15 90.213 14.204 0.657 25 1HD2 LEU 15 HD21 LEU 15 90.768 17.523 -1.525 26 2HD2 LEU 15 HD22 LEU 15 90.323 17.453 0.181 27 3HD2 LEU 15 HD23 LEU 15 89.336 16.624 -1.023 28 H THR 16 HN THR 16 93.030 13.943 -1.660 29 HA THR 16 HA THR 16 92.742 11.444 -0.482 30 HB THR 16 HB THR 16 91.985 11.924 -2.751 31 HG1 THR 16 HG1 THR 16 92.236 9.789 -2.512 32 1HG2 THR 16 HG21 THR 16 94.100 13.262 -3.340 33 2HG2 THR 16 HG22 THR 16 93.337 12.281 -4.590 34 3HG2 THR 16 HG23 THR 16 94.783 11.694 -3.770 35 H GLN 17 HN GLN 17 95.624 13.176 -1.341 36 HA GLN 17 HA GLN 17 97.416 10.994 -1.432 37 1HB GLN 17 HB2 GLN 17 97.688 13.556 -2.070 38 2HB GLN 17 HB1 GLN 17 98.325 13.654 -0.435 39 1HG GLN 17 HG2 GLN 17 100.231 12.623 -0.979 40 2HG GLN 17 HG1 GLN 17 99.420 11.455 -2.021 41 1HE2 GLN 17 HE21 GLN 17 101.864 13.171 -2.331 42 2HE2 GLN 17 HE22 GLN 17 101.637 13.979 -3.840 43 H VAL 18 HN VAL 18 96.451 13.186 1.182 44 HA VAL 18 HA VAL 18 98.124 12.259 3.198 45 HB VAL 18 HB VAL 18 95.265 13.152 3.584 46 1HG1 VAL 18 HG11 VAL 18 95.817 12.628 5.702 47 2HG1 VAL 18 HG12 VAL 18 96.685 14.163 5.657 48 3HG1 VAL 18 HG13 VAL 18 97.549 12.652 5.368 49 1HG2 VAL 18 HG21 VAL 18 96.651 15.388 4.028 50 2HG2 VAL 18 HG22 VAL 18 96.010 14.968 2.439 51 3HG2 VAL 18 HG23 VAL 18 97.703 14.652 2.819 52 H LYS 19 HN LYS 19 95.096 10.974 1.981 53 HA LYS 19 HA LYS 19 94.561 9.111 4.021 54 1HB LYS 19 HB2 LYS 19 93.738 9.519 1.207 55 2HB LYS 19 HB1 LYS 19 93.530 7.896 1.845 56 1HG LYS 19 HG2 LYS 19 91.488 9.099 2.146 57 2HG LYS 19 HG1 LYS 19 92.232 8.856 3.728 58 1HD LYS 19 HD2 LYS 19 93.297 11.248 3.009 59 2HD LYS 19 HD1 LYS 19 91.711 11.337 2.240 60 1HE LYS 19 HE2 LYS 19 90.883 11.941 4.214 61 2HE LYS 19 HE1 LYS 19 91.219 10.306 4.780 62 1HZ LYS 19 HZ1 LYS 19 92.780 12.765 5.182 63 2HZ LYS 19 HZ2 LYS 19 93.572 11.271 5.199 64 3HZ LYS 19 HZ3 LYS 19 92.332 11.583 6.307 65 H GLU 20 HN GLU 20 95.950 8.563 0.798 66 HA GLU 20 HA GLU 20 96.798 5.930 1.274 67 1HB GLU 20 HB2 GLU 20 97.695 8.032 -0.691 68 2HB GLU 20 HB1 GLU 20 98.402 6.423 -0.663 69 1HG GLU 20 HG2 GLU 20 95.697 5.919 -0.695 70 2HG GLU 20 HG1 GLU 20 95.864 7.329 -1.740 71 H SER 21 HN SER 21 98.054 8.946 2.306 72 HA SER 21 HA SER 21 100.761 8.086 2.702 73 1HB SER 21 HB2 SER 21 99.386 10.508 2.649 74 2HB SER 21 HB1 SER 21 99.918 10.343 4.319 75 HG SER 21 HG SER 21 101.496 10.338 1.970 76 H LEU 22 HN LEU 22 98.091 8.906 4.920 77 HA LEU 22 HA LEU 22 99.377 7.992 7.250 78 1HB LEU 22 HB2 LEU 22 96.766 8.997 6.507 79 2HB LEU 22 HB1 LEU 22 96.622 7.684 7.660 80 HG LEU 22 HG LEU 22 98.493 9.967 8.188 81 1HD1 LEU 22 HD11 LEU 22 96.873 11.381 8.871 82 2HD1 LEU 22 HD12 LEU 22 95.795 10.078 9.373 83 3HD1 LEU 22 HD13 LEU 22 95.921 10.512 7.669 84 1HD2 LEU 22 HD21 LEU 22 98.091 7.631 9.493 85 2HD2 LEU 22 HD22 LEU 22 96.938 8.676 10.321 86 3HD2 LEU 22 HD23 LEU 22 98.644 9.116 10.265 87 H SER 23 HN SER 23 97.281 6.417 4.914 88 HA SER 23 HA SER 23 96.915 4.000 6.337 89 1HB SER 23 HB2 SER 23 96.869 4.447 3.341 90 2HB SER 23 HB1 SER 23 96.186 3.063 4.195 91 H SER 24 HN SER 24 99.422 5.174 4.203 92 HA SER 24 HA SER 24 100.718 2.715 3.754 93 1HB SER 24 HB2 SER 24 101.728 5.553 3.716 94 2HB SER 24 HB1 SER 24 102.741 4.169 3.307 95 HG SER 24 HG SER 24 101.207 5.457 1.679 96 H TYR 25 HN TYR 25 100.884 5.078 6.339 97 HA TYR 25 HA TYR 25 103.184 4.332 7.656 98 1HB TYR 25 HB2 TYR 25 101.090 6.035 8.082 99 2HB TYR 25 HB1 TYR 25 100.868 4.872 9.380 100 HD1 TYR 25 HD1 TYR 25 103.583 4.211 10.185 101 HD2 TYR 25 HD2 TYR 25 101.956 7.964 9.017 102 HE1 TYR 25 HE1 TYR 25 105.308 5.362 11.505 103 HE2 TYR 25 HE2 TYR 25 103.677 9.127 10.333 104 HH TYR 25 HH TYR 25 105.173 8.296 12.548 105 H TRP 26 HN TRP 26 99.962 2.914 7.753 106 HA TRP 26 HA TRP 26 100.882 0.789 9.551 107 1HB TRP 26 HB2 TRP 26 98.220 1.867 8.747 108 2HB TRP 26 HB1 TRP 26 98.312 0.174 9.220 109 HD1 TRP 26 HD1 TRP 26 100.325 0.359 11.629 110 HE1 TRP 26 HE1 TRP 26 99.634 1.528 13.813 111 HE3 TRP 26 HE3 TRP 26 96.514 3.257 9.833 112 HZ2 TRP 26 HZ2 TRP 26 97.725 3.423 14.666 113 HZ3 TRP 26 HZ3 TRP 26 95.305 4.718 11.401 114 HH2 TRP 26 HH2 TRP 26 95.899 4.797 13.767 115 H GLU 27 HN GLU 27 100.342 1.393 6.216 116 HA GLU 27 HA GLU 27 99.444 -1.030 5.232 117 1HB GLU 27 HB2 GLU 27 101.167 1.132 4.170 118 2HB GLU 27 HB1 GLU 27 101.230 -0.402 3.318 119 1HG GLU 27 HG2 GLU 27 98.797 -0.336 3.035 120 2HG GLU 27 HG1 GLU 27 98.754 1.224 3.851 121 H SER 28 HN SER 28 102.742 -0.147 6.174 122 HA SER 28 HA SER 28 103.997 -2.498 5.278 123 1HB SER 28 HB2 SER 28 105.537 -0.872 5.784 124 2HB SER 28 HB1 SER 28 104.684 -0.349 7.234 125 HG SER 28 HG SER 28 106.728 -2.051 7.025 126 H ALA 29 HN ALA 29 102.449 -1.658 8.331 127 HA ALA 29 HA ALA 29 103.137 -4.010 9.734 128 1HB ALA 29 HB1 ALA 29 100.840 -3.381 10.923 129 2HB ALA 29 HB2 ALA 29 101.101 -1.869 10.053 130 3HB ALA 29 HB3 ALA 29 102.316 -2.453 11.191 131 H LYS 30 HN LYS 30 100.635 -3.190 7.454 132 HA LYS 30 HA LYS 30 99.200 -5.680 7.783 133 1HB LYS 30 HB2 LYS 30 98.750 -3.142 6.487 134 2HB LYS 30 HB1 LYS 30 98.447 -4.455 5.357 135 1HG LYS 30 HG2 LYS 30 97.266 -5.040 7.912 136 2HG LYS 30 HG1 LYS 30 96.729 -3.465 7.323 137 1HD LYS 30 HD2 LYS 30 96.150 -4.542 5.155 138 2HD LYS 30 HD1 LYS 30 96.556 -6.103 5.871 139 1HE LYS 30 HE2 LYS 30 94.814 -5.851 7.518 140 2HE LYS 30 HE1 LYS 30 94.468 -4.217 6.954 141 1HZ LYS 30 HZ1 LYS 30 93.131 -6.369 6.148 142 2HZ LYS 30 HZ2 LYS 30 94.314 -6.301 4.941 143 3HZ LYS 30 HZ3 LYS 30 93.301 -4.974 5.206 144 H THR 31 HN THR 31 101.801 -4.423 5.872 145 HA THR 31 HA THR 31 101.655 -6.223 3.696 146 HB THR 31 HB THR 31 103.971 -4.682 4.873 147 HG1 THR 31 HG1 THR 31 102.332 -4.192 2.612 148 1HG2 THR 31 HG21 THR 31 105.256 -5.102 2.989 149 2HG2 THR 31 HG22 THR 31 103.892 -5.769 2.093 150 3HG2 THR 31 HG23 THR 31 104.599 -6.679 3.428 151 H ALA 32 HN ALA 32 103.556 -6.248 6.710 152 HA ALA 32 HA ALA 32 104.928 -8.639 6.272 153 1HB ALA 32 HB1 ALA 32 105.819 -8.108 8.240 154 2HB ALA 32 HB2 ALA 32 104.277 -8.382 9.051 155 3HB ALA 32 HB3 ALA 32 104.651 -6.794 8.381 156 H ALA 33 HN ALA 33 101.639 -8.034 6.998 157 HA ALA 33 HA ALA 33 101.071 -10.694 7.992 158 1HB ALA 33 HB1 ALA 33 99.107 -8.568 7.154 159 2HB ALA 33 HB2 ALA 33 99.840 -8.653 8.756 160 3HB ALA 33 HB3 ALA 33 98.805 -9.964 8.188 161 H GLN 34 HN GLN 34 101.032 -8.963 4.974 162 HA GLN 34 HA GLN 34 99.332 -10.741 3.547 163 1HB GLN 34 HB2 GLN 34 101.095 -8.463 2.905 164 2HB GLN 34 HB1 GLN 34 100.881 -9.627 1.606 165 1HG GLN 34 HG2 GLN 34 98.811 -8.941 1.185 166 2HG GLN 34 HG1 GLN 34 98.377 -8.918 2.894 167 1HE2 GLN 34 HE21 GLN 34 100.799 -7.125 1.028 168 2HE2 GLN 34 HE22 GLN 34 100.222 -5.555 1.458 169 H ASN 35 HN ASN 35 102.794 -10.592 4.147 170 HA ASN 35 HA ASN 35 103.697 -12.430 2.272 171 1HB ASN 35 HB2 ASN 35 104.786 -10.910 4.271 172 2HB ASN 35 HB1 ASN 35 105.024 -12.542 4.887 173 1HD2 ASN 35 HD21 ASN 35 105.326 -10.767 1.827 174 2HD2 ASN 35 HD22 ASN 35 106.838 -11.469 1.373 175 H LEU 36 HN LEU 36 102.779 -12.995 5.678 176 HA LEU 36 HA LEU 36 103.131 -15.756 5.694 177 1HB LEU 36 HB2 LEU 36 102.387 -13.788 7.447 178 2HB LEU 36 HB1 LEU 36 100.920 -14.735 7.312 179 HG LEU 36 HG LEU 36 103.458 -16.205 7.812 180 1HD1 LEU 36 HD11 LEU 36 103.225 -14.087 9.329 181 2HD1 LEU 36 HD12 LEU 36 103.664 -15.646 10.029 182 3HD1 LEU 36 HD13 LEU 36 102.004 -15.061 10.148 183 1HD2 LEU 36 HD21 LEU 36 100.555 -16.555 8.217 184 2HD2 LEU 36 HD22 LEU 36 101.606 -17.236 9.458 185 3HD2 LEU 36 HD23 LEU 36 101.792 -17.732 7.775 186 H TYR 37 HN TYR 37 100.494 -13.764 4.565 187 HA TYR 37 HA TYR 37 98.667 -15.991 4.241 188 1HB TYR 37 HB2 TYR 37 98.561 -13.055 3.966 189 2HB TYR 37 HB1 TYR 37 97.539 -13.946 2.843 190 HD1 TYR 37 HD1 TYR 37 95.707 -15.348 3.673 191 HD2 TYR 37 HD2 TYR 37 98.083 -13.022 6.325 192 HE1 TYR 37 HE1 TYR 37 94.023 -15.652 5.439 193 HE2 TYR 37 HE2 TYR 37 96.405 -13.316 8.098 194 HH TYR 37 HH TYR 37 94.294 -14.012 8.550 195 H GLU 38 HN GLU 38 101.331 -15.023 2.583 196 HA GLU 38 HA GLU 38 102.195 -15.577 0.555 197 1HB GLU 38 HB2 GLU 38 100.630 -17.640 1.011 198 2HB GLU 38 HB1 GLU 38 99.653 -16.926 -0.264 199 1HG GLU 38 HG2 GLU 38 101.571 -17.014 -1.779 200 2HG GLU 38 HG1 GLU 38 102.540 -17.746 -0.501 201 H LYS 39 HN LYS 39 100.704 -13.170 1.053 202 HA LYS 39 HA LYS 39 99.797 -11.379 -0.002 203 1HB LYS 39 HB2 LYS 39 101.502 -12.716 -2.028 204 2HB LYS 39 HB1 LYS 39 100.466 -11.403 -2.571 205 1HG LYS 39 HG2 LYS 39 101.485 -9.902 -0.956 206 2HG LYS 39 HG1 LYS 39 102.491 -11.219 -0.348 207 1HD LYS 39 HD2 LYS 39 103.681 -11.367 -2.405 208 2HD LYS 39 HD1 LYS 39 102.537 -10.292 -3.215 209 1HE LYS 39 HE2 LYS 39 104.646 -9.158 -2.651 210 2HE LYS 39 HE1 LYS 39 103.259 -8.435 -1.837 211 1HZ LYS 39 HZ1 LYS 39 103.855 -9.692 0.160 212 2HZ LYS 39 HZ2 LYS 39 105.103 -8.658 -0.321 213 3HZ LYS 39 HZ3 LYS 39 105.215 -10.317 -0.630 214 H THR 40 HN THR 40 98.280 -13.977 0.033 215 HA THR 40 HA THR 40 96.695 -13.967 -2.364 216 HB THR 40 HB THR 40 96.233 -15.381 0.267 217 HG1 THR 40 HG1 THR 40 97.209 -17.145 -0.820 218 1HG2 THR 40 HG21 THR 40 94.522 -15.184 -1.891 219 2HG2 THR 40 HG22 THR 40 94.474 -16.386 -0.603 220 3HG2 THR 40 HG23 THR 40 95.327 -16.737 -2.106 221 H TYR 41 HN TYR 41 96.664 -12.277 0.611 222 HA TYR 41 HA TYR 41 93.980 -11.859 1.111 223 1HB TYR 41 HB2 TYR 41 96.351 -10.910 2.122 224 2HB TYR 41 HB1 TYR 41 95.631 -9.460 1.433 225 HD1 TYR 41 HD1 TYR 41 94.477 -8.176 2.955 226 HD2 TYR 41 HD2 TYR 41 94.420 -12.407 3.396 227 HE1 TYR 41 HE1 TYR 41 93.055 -7.944 4.948 228 HE2 TYR 41 HE2 TYR 41 92.996 -12.187 5.389 229 HH TYR 41 HH TYR 41 92.505 -10.457 7.118 230 H LEU 42 HN LEU 42 96.028 -10.486 -1.356 231 HA LEU 42 HA LEU 42 93.839 -8.744 -2.245 232 1HB LEU 42 HB2 LEU 42 95.629 -7.760 -3.740 233 2HB LEU 42 HB1 LEU 42 95.815 -7.486 -2.018 234 HG LEU 42 HG LEU 42 97.222 -9.822 -3.218 235 1HD1 LEU 42 HD11 LEU 42 98.486 -8.645 -4.605 236 2HD1 LEU 42 HD12 LEU 42 98.964 -7.575 -3.289 237 3HD1 LEU 42 HD13 LEU 42 97.535 -7.203 -4.252 238 1HD2 LEU 42 HD21 LEU 42 97.877 -9.834 -1.081 239 2HD2 LEU 42 HD22 LEU 42 97.326 -8.182 -0.807 240 3HD2 LEU 42 HD23 LEU 42 98.910 -8.476 -1.524 241 HA PRO 43 HA PRO 43 93.161 -11.331 -5.766 242 1HB PRO 43 HB2 PRO 43 92.243 -9.181 -7.420 243 2HB PRO 43 HB1 PRO 43 91.277 -10.308 -6.467 244 1HG PRO 43 HG2 PRO 43 91.500 -7.602 -5.958 245 2HG PRO 43 HG1 PRO 43 91.013 -8.819 -4.767 246 1HD PRO 43 HD2 PRO 43 93.677 -7.522 -5.176 247 2HD PRO 43 HD1 PRO 43 92.853 -7.965 -3.664 248 H ALA 44 HN ALA 44 95.897 -10.160 -5.629 249 HA ALA 44 HA ALA 44 97.728 -9.824 -6.937 250 1HB ALA 44 HB1 ALA 44 97.659 -11.977 -7.694 251 2HB ALA 44 HB2 ALA 44 97.496 -11.116 -9.225 252 3HB ALA 44 HB3 ALA 44 96.069 -11.785 -8.433 253 H VAL 45 HN VAL 45 95.466 -7.907 -7.179 254 HA VAL 45 HA VAL 45 96.224 -6.739 -9.780 255 HB VAL 45 HB VAL 45 93.480 -6.520 -8.539 256 1HG1 VAL 45 HG11 VAL 45 94.828 -5.095 -10.637 257 2HG1 VAL 45 HG12 VAL 45 93.227 -4.822 -9.949 258 3HG1 VAL 45 HG13 VAL 45 93.431 -5.954 -11.286 259 1HG2 VAL 45 HG21 VAL 45 93.271 -7.878 -10.960 260 2HG2 VAL 45 HG22 VAL 45 93.070 -8.553 -9.344 261 3HG2 VAL 45 HG23 VAL 45 94.642 -8.625 -10.139 262 H ASP 46 HN ASP 46 95.249 -6.211 -6.439 263 HA ASP 46 HA ASP 46 95.115 -3.460 -6.335 264 1HB ASP 46 HB2 ASP 46 94.654 -5.097 -4.461 265 2HB ASP 46 HB1 ASP 46 96.394 -5.163 -4.194 266 H GLU 47 HN GLU 47 97.984 -5.521 -6.225 267 HA GLU 47 HA GLU 47 99.771 -3.306 -5.853 268 1HB GLU 47 HB2 GLU 47 100.238 -6.198 -6.566 269 2HB GLU 47 HB1 GLU 47 101.537 -5.030 -6.369 270 1HG GLU 47 HG2 GLU 47 100.772 -4.630 -4.052 271 2HG GLU 47 HG1 GLU 47 99.567 -5.899 -4.267 272 H LYS 48 HN LYS 48 98.907 -5.427 -8.576 273 HA LYS 48 HA LYS 48 100.611 -4.360 -10.493 274 1HB LYS 48 HB2 LYS 48 98.894 -6.340 -10.615 275 2HB LYS 48 HB1 LYS 48 97.802 -5.105 -11.226 276 1HG LYS 48 HG2 LYS 48 100.497 -5.402 -12.460 277 2HG LYS 48 HG1 LYS 48 99.222 -6.553 -12.865 278 1HD LYS 48 HD2 LYS 48 98.572 -3.653 -12.956 279 2HD LYS 48 HD1 LYS 48 99.579 -4.318 -14.243 280 1HE LYS 48 HE2 LYS 48 97.904 -5.701 -15.020 281 2HE LYS 48 HE1 LYS 48 97.062 -5.723 -13.471 282 1HZ LYS 48 HZ1 LYS 48 95.946 -3.845 -13.950 283 2HZ LYS 48 HZ2 LYS 48 96.256 -4.288 -15.553 284 3HZ LYS 48 HZ3 LYS 48 97.236 -3.140 -14.788 285 H LEU 49 HN LEU 49 97.548 -3.198 -9.268 286 HA LEU 49 HA LEU 49 97.511 -0.961 -11.125 287 1HB LEU 49 HB2 LEU 49 95.310 -0.683 -10.558 288 2HB LEU 49 HB1 LEU 49 95.510 -2.402 -10.280 289 HG LEU 49 HG LEU 49 96.058 -1.544 -7.811 290 1HD1 LEU 49 HD11 LEU 49 95.821 0.755 -8.017 291 2HD1 LEU 49 HD12 LEU 49 94.259 0.249 -7.375 292 3HD1 LEU 49 HD13 LEU 49 94.430 0.617 -9.091 293 1HD2 LEU 49 HD21 LEU 49 94.411 -3.178 -8.154 294 2HD2 LEU 49 HD22 LEU 49 93.402 -2.086 -9.100 295 3HD2 LEU 49 HD23 LEU 49 93.570 -1.847 -7.361 296 H ARG 50 HN ARG 50 98.671 -1.673 -7.984 297 HA ARG 50 HA ARG 50 99.328 1.144 -7.589 298 1HB ARG 50 HB2 ARG 50 97.149 0.154 -6.300 299 2HB ARG 50 HB1 ARG 50 98.410 -0.195 -5.128 300 1HG ARG 50 HG2 ARG 50 98.164 1.885 -4.403 301 2HG ARG 50 HG1 ARG 50 98.924 2.412 -5.906 302 1HD ARG 50 HD2 ARG 50 97.035 3.396 -6.535 303 2HD ARG 50 HD1 ARG 50 96.179 1.860 -6.429 304 HE ARG 50 HE ARG 50 96.057 4.026 -4.572 305 1HH1 ARG 50 HH11 ARG 50 95.825 0.556 -4.861 306 2HH1 ARG 50 HH12 ARG 50 94.824 0.381 -3.459 307 1HH2 ARG 50 HH21 ARG 50 94.739 3.797 -2.728 308 2HH2 ARG 50 HH22 ARG 50 94.207 2.221 -2.248 309 H ASP 51 HN ASP 51 101.465 0.510 -8.031 310 HA ASP 51 HA ASP 51 103.061 -0.041 -5.827 311 1HB ASP 51 HB2 ASP 51 101.928 -2.405 -6.846 312 2HB ASP 51 HB1 ASP 51 103.601 -2.406 -7.392 313 H LEU 52 HN LEU 52 102.801 -0.525 -9.333 314 HA LEU 52 HA LEU 52 105.453 -0.367 -10.062 315 1HB LEU 52 HB2 LEU 52 104.621 0.666 -12.192 316 2HB LEU 52 HB1 LEU 52 103.836 -0.832 -11.734 317 HG LEU 52 HG LEU 52 102.126 0.931 -10.620 318 1HD1 LEU 52 HD11 LEU 52 101.765 2.781 -12.159 319 2HD1 LEU 52 HD12 LEU 52 103.182 2.297 -13.090 320 3HD1 LEU 52 HD13 LEU 52 103.370 2.870 -11.434 321 1HD2 LEU 52 HD21 LEU 52 100.665 0.470 -12.441 322 2HD2 LEU 52 HD22 LEU 52 101.684 -0.951 -12.215 323 3HD2 LEU 52 HD23 LEU 52 102.018 0.174 -13.531 324 H TYR 53 HN TYR 53 103.275 2.184 -9.094 325 HA TYR 53 HA TYR 53 105.246 4.283 -9.629 326 1HB TYR 53 HB2 TYR 53 102.562 4.294 -9.853 327 2HB TYR 53 HB1 TYR 53 102.713 4.874 -8.196 328 HD1 TYR 53 HD1 TYR 53 103.661 5.565 -11.705 329 HD2 TYR 53 HD2 TYR 53 103.433 7.092 -7.741 330 HE1 TYR 53 HE1 TYR 53 104.164 7.817 -12.551 331 HE2 TYR 53 HE2 TYR 53 103.933 9.351 -8.578 332 HH TYR 53 HH TYR 53 103.730 10.216 -11.773 333 H SER 54 HN SER 54 103.324 3.094 -6.885 334 HA SER 54 HA SER 54 104.939 4.534 -4.977 335 1HB SER 54 HB2 SER 54 102.848 2.439 -4.374 336 2HB SER 54 HB1 SER 54 103.422 3.731 -3.319 337 HG SER 54 HG SER 54 101.954 4.048 -5.729 338 H LYS 55 HN LYS 55 106.221 2.409 -6.634 339 HA LYS 55 HA LYS 55 107.740 1.213 -4.536 340 1HB LYS 55 HB2 LYS 55 105.592 -0.243 -4.920 341 2HB LYS 55 HB1 LYS 55 106.471 -0.813 -6.332 342 1HG LYS 55 HG2 LYS 55 108.174 -1.755 -5.035 343 2HG LYS 55 HG1 LYS 55 107.701 -0.847 -3.599 344 1HD LYS 55 HD2 LYS 55 105.802 -2.794 -4.848 345 2HD LYS 55 HD1 LYS 55 107.086 -3.364 -3.780 346 1HE LYS 55 HE2 LYS 55 105.100 -1.226 -3.029 347 2HE LYS 55 HE1 LYS 55 104.887 -2.937 -2.656 348 1HZ LYS 55 HZ1 LYS 55 107.445 -1.892 -1.851 349 2HZ LYS 55 HZ2 LYS 55 106.329 -2.814 -0.975 350 3HZ LYS 55 HZ3 LYS 55 106.143 -1.136 -1.078 351 H SER 56 HN SER 56 106.918 0.792 -7.988 352 HA SER 56 HA SER 56 109.736 0.335 -8.580 353 1HB SER 56 HB2 SER 56 107.663 0.481 -10.721 354 2HB SER 56 HB1 SER 56 109.078 -0.562 -10.593 355 HG SER 56 HG SER 56 107.975 -1.703 -8.933 356 H THR 57 HN THR 57 108.200 3.033 -7.953 357 HA THR 57 HA THR 57 109.683 4.539 -9.988 358 HB THR 57 HB THR 57 106.909 5.250 -9.024 359 HG1 THR 57 HG1 THR 57 107.712 4.394 -11.598 360 1HG2 THR 57 HG21 THR 57 108.286 6.483 -11.363 361 2HG2 THR 57 HG22 THR 57 108.526 7.119 -9.736 362 3HG2 THR 57 HG23 THR 57 106.907 7.072 -10.435 363 H ALA 58 HN ALA 58 108.341 4.373 -6.754 364 HA ALA 58 HA ALA 58 109.930 6.729 -5.991 365 1HB ALA 58 HB1 ALA 58 107.825 5.519 -4.243 366 2HB ALA 58 HB2 ALA 58 107.380 6.596 -5.568 367 3HB ALA 58 HB3 ALA 58 108.434 7.174 -4.277 368 H ALA 59 HN ALA 59 109.047 3.458 -4.907 369 HA ALA 59 HA ALA 59 110.927 3.392 -2.790 370 1HB ALA 59 HB1 ALA 59 110.346 1.152 -2.499 371 2HB ALA 59 HB2 ALA 59 109.946 0.936 -4.201 372 3HB ALA 59 HB3 ALA 59 108.884 1.883 -3.161 373 H MET 60 HN MET 60 111.328 3.297 -6.148 374 HA MET 60 HA MET 60 113.845 1.801 -5.969 375 1HB MET 60 HB2 MET 60 113.793 1.623 -8.331 376 2HB MET 60 HB1 MET 60 112.155 1.317 -7.783 377 1HG MET 60 HG2 MET 60 111.478 2.809 -9.262 378 2HG MET 60 HG1 MET 60 112.217 4.047 -8.253 379 1HE MET 60 HE1 MET 60 113.643 5.816 -10.814 380 2HE MET 60 HE2 MET 60 114.819 5.461 -9.547 381 3HE MET 60 HE3 MET 60 113.112 5.639 -9.143 382 H SER 61 HN SER 61 112.541 4.972 -6.611 383 HA SER 61 HA SER 61 115.086 6.109 -7.360 384 1HB SER 61 HB2 SER 61 112.438 6.845 -7.756 385 2HB SER 61 HB1 SER 61 113.022 8.023 -6.581 386 HG SER 61 HG SER 61 113.937 8.961 -8.212 387 H THR 62 HN THR 62 113.147 5.776 -4.486 388 HA THR 62 HA THR 62 114.533 7.727 -2.932 389 HB THR 62 HB THR 62 112.851 5.384 -2.023 390 HG1 THR 62 HG1 THR 62 111.256 6.515 -2.730 391 1HG2 THR 62 HG21 THR 62 113.835 7.820 -0.588 392 2HG2 THR 62 HG22 THR 62 113.930 6.128 -0.096 393 3HG2 THR 62 HG23 THR 62 112.377 6.964 -0.085 394 H TYR 63 HN TYR 63 115.497 4.752 -4.107 395 HA TYR 63 HA TYR 63 116.927 3.708 -1.896 396 1HB TYR 63 HB2 TYR 63 116.301 2.949 -4.511 397 2HB TYR 63 HB1 TYR 63 118.055 3.037 -4.463 398 HD1 TYR 63 HD1 TYR 63 115.105 1.253 -3.297 399 HD2 TYR 63 HD2 TYR 63 119.332 1.576 -2.942 400 HE1 TYR 63 HE1 TYR 63 115.175 -0.949 -2.207 401 HE2 TYR 63 HE2 TYR 63 119.414 -0.627 -1.851 402 HH TYR 63 HH TYR 63 117.552 -2.827 -2.001 403 H THR 64 HN THR 64 117.610 6.035 -4.406 404 HA THR 64 HA THR 64 120.387 6.141 -4.294 405 HB THR 64 HB THR 64 118.828 8.682 -4.517 406 HG1 THR 64 HG1 THR 64 118.778 6.557 -6.388 407 1HG2 THR 64 HG21 THR 64 120.808 7.709 -6.509 408 2HG2 THR 64 HG22 THR 64 121.377 8.333 -4.960 409 3HG2 THR 64 HG23 THR 64 120.409 9.356 -6.023 410 H GLY 65 HN GLY 65 118.009 7.125 -2.046 411 1HA GLY 65 HA2 GLY 65 119.876 8.714 -0.464 412 2HA GLY 65 HA1 GLY 65 118.162 8.488 -0.136 413 H ILE 66 HN ILE 66 118.571 5.515 -0.629 414 HA ILE 66 HA ILE 66 119.272 4.878 2.112 415 HB ILE 66 HB ILE 66 118.393 2.976 -0.055 416 1HG1 ILE 66 HG12 ILE 66 116.725 4.760 0.247 417 2HG1 ILE 66 HG11 ILE 66 116.124 3.214 0.836 418 1HG2 ILE 66 HG21 ILE 66 118.770 1.420 1.477 419 2HG2 ILE 66 HG22 ILE 66 117.522 2.155 2.484 420 3HG2 ILE 66 HG23 ILE 66 119.207 2.641 2.671 421 1HD1 ILE 66 HD11 ILE 66 115.482 4.888 2.387 422 2HD1 ILE 66 HD12 ILE 66 117.123 5.530 2.466 423 3HD1 ILE 66 HD13 ILE 66 116.766 3.937 3.136 424 H PHE 67 HN PHE 67 120.817 5.036 -0.866 425 HA PHE 67 HA PHE 67 122.589 2.856 -0.739 426 1HB PHE 67 HB2 PHE 67 122.001 4.834 -2.525 427 2HB PHE 67 HB1 PHE 67 123.596 5.325 -1.969 428 HD1 PHE 67 HD1 PHE 67 125.485 4.391 -2.926 429 HD2 PHE 67 HD2 PHE 67 121.757 2.369 -3.279 430 HE1 PHE 67 HE1 PHE 67 126.521 2.752 -4.440 431 HE2 PHE 67 HE2 PHE 67 122.788 0.726 -4.793 432 HZ PHE 67 HZ PHE 67 125.173 0.916 -5.373 433 H THR 68 HN THR 68 122.894 6.208 0.325 434 HA THR 68 HA THR 68 125.545 6.092 1.212 435 HB THR 68 HB THR 68 123.736 7.843 2.744 436 HG1 THR 68 HG1 THR 68 123.930 8.019 -0.078 437 1HG2 THR 68 HG21 THR 68 125.348 9.520 1.497 438 2HG2 THR 68 HG22 THR 68 126.324 8.061 1.328 439 3HG2 THR 68 HG23 THR 68 125.853 8.625 2.931 440 H ASP 69 HN ASP 69 122.671 4.824 2.641 441 HA ASP 69 HA ASP 69 123.264 4.891 5.338 442 1HB ASP 69 HB2 ASP 69 121.765 2.880 3.682 443 2HB ASP 69 HB1 ASP 69 121.940 2.688 5.423 444 H GLN 70 HN GLN 70 124.648 2.869 2.862 445 HA GLN 70 HA GLN 70 126.016 1.241 4.865 446 1HB GLN 70 HB2 GLN 70 126.705 -0.186 3.054 447 2HB GLN 70 HB1 GLN 70 124.985 0.138 2.891 448 1HG GLN 70 HG2 GLN 70 125.681 0.394 0.733 449 2HG GLN 70 HG1 GLN 70 125.796 2.052 1.316 450 1HE2 GLN 70 HE21 GLN 70 127.363 2.705 -0.089 451 2HE2 GLN 70 HE22 GLN 70 128.986 2.114 -0.047 452 H VAL 71 HN VAL 71 126.554 4.181 3.715 453 HA VAL 71 HA VAL 71 129.391 3.865 3.104 454 HB VAL 71 HB VAL 71 127.679 6.354 3.163 455 1HG1 VAL 71 HG11 VAL 71 129.495 7.582 2.724 456 2HG1 VAL 71 HG12 VAL 71 130.102 6.416 1.548 457 3HG1 VAL 71 HG13 VAL 71 130.429 6.188 3.266 458 1HG2 VAL 71 HG21 VAL 71 127.546 6.206 0.790 459 2HG2 VAL 71 HG22 VAL 71 127.068 4.638 1.440 460 3HG2 VAL 71 HG23 VAL 71 128.677 4.853 0.750 461 H LEU 72 HN LEU 72 127.272 5.328 5.531 462 HA LEU 72 HA LEU 72 129.592 6.077 7.122 463 1HB LEU 72 HB2 LEU 72 127.768 6.989 8.669 464 2HB LEU 72 HB1 LEU 72 128.018 7.796 7.137 465 HG LEU 72 HG LEU 72 125.947 5.673 7.199 466 1HD1 LEU 72 HD11 LEU 72 124.505 7.889 7.909 467 2HD1 LEU 72 HD12 LEU 72 125.913 7.998 8.965 468 3HD1 LEU 72 HD13 LEU 72 124.911 6.546 8.977 469 1HD2 LEU 72 HD21 LEU 72 126.714 7.230 5.255 470 2HD2 LEU 72 HD22 LEU 72 125.688 8.420 6.056 471 3HD2 LEU 72 HD23 LEU 72 124.998 6.898 5.493 472 H SER 73 HN SER 73 127.288 3.597 6.753 473 HA SER 73 HA SER 73 127.393 2.583 9.436 474 1HB SER 73 HB2 SER 73 125.439 2.209 7.965 475 2HB SER 73 HB1 SER 73 126.449 1.225 6.907 476 HG SER 73 HG SER 73 125.685 -0.289 8.196 477 H VAL 74 HN VAL 74 129.407 2.456 6.706 478 HA VAL 74 HA VAL 74 130.911 0.209 7.888 479 HB VAL 74 HB VAL 74 130.789 0.873 4.954 480 1HG1 VAL 74 HG11 VAL 74 132.780 -0.268 5.306 481 2HG1 VAL 74 HG12 VAL 74 131.662 -1.568 4.895 482 3HG1 VAL 74 HG13 VAL 74 132.094 -1.277 6.580 483 1HG2 VAL 74 HG21 VAL 74 129.540 -1.478 5.059 484 2HG2 VAL 74 HG22 VAL 74 128.677 0.055 5.176 485 3HG2 VAL 74 HG23 VAL 74 129.062 -0.854 6.637 486 H LEU 75 HN LEU 75 130.965 3.462 6.764 487 HA LEU 75 HA LEU 75 133.918 3.437 6.895 488 1HB LEU 75 HB2 LEU 75 132.372 5.566 5.470 489 2HB LEU 75 HB1 LEU 75 134.048 5.095 5.267 490 HG LEU 75 HG LEU 75 131.755 3.302 4.496 491 1HD1 LEU 75 HD11 LEU 75 133.197 4.536 2.304 492 2HD1 LEU 75 HD12 LEU 75 132.340 5.720 3.291 493 3HD1 LEU 75 HD13 LEU 75 131.460 4.374 2.568 494 1HD2 LEU 75 HD21 LEU 75 133.513 2.256 3.091 495 2HD2 LEU 75 HD22 LEU 75 133.825 2.133 4.822 496 3HD2 LEU 75 HD23 LEU 75 134.698 3.319 3.850 497 H LYS 76 HN LYS 76 131.106 4.719 8.399 498 HA LYS 76 HA LYS 76 132.706 6.873 9.611 499 1HB LYS 76 HB2 LYS 76 129.884 6.563 8.900 500 2HB LYS 76 HB1 LYS 76 130.143 7.259 10.487 501 1HG LYS 76 HG2 LYS 76 131.793 8.834 9.246 502 2HG LYS 76 HG1 LYS 76 130.902 8.331 7.809 503 1HD LYS 76 HD2 LYS 76 129.204 9.684 8.310 504 2HD LYS 76 HD1 LYS 76 129.084 9.015 9.937 505 1HE LYS 76 HE2 LYS 76 130.875 10.512 10.679 506 2HE LYS 76 HE1 LYS 76 130.985 11.183 9.052 507 1HZ LYS 76 HZ1 LYS 76 129.565 12.351 10.882 508 2HZ LYS 76 HZ2 LYS 76 128.390 11.225 10.420 509 3HZ LYS 76 HZ3 LYS 76 129.023 12.302 9.279 510 H GLY 77 HN GLY 77 131.535 3.774 10.209 511 1HA GLY 77 HA2 GLY 77 132.311 2.701 12.257 512 2HA GLY 77 HA1 GLY 77 131.875 4.175 13.115 513 H GLU 78 HN GLU 78 130.093 2.365 10.666 514 HA GLU 78 HA GLU 78 128.046 1.416 10.651 515 1HB GLU 78 HB2 GLU 78 129.301 0.280 12.680 516 2HB GLU 78 HB1 GLU 78 128.022 1.072 13.592 517 1HG GLU 78 HG2 GLU 78 127.038 -0.331 11.243 518 2HG GLU 78 HG1 GLU 78 127.867 -1.389 12.383 519 H GLU 79 HN GLU 79 127.708 3.976 10.368 520 HA GLU 79 HA GLU 79 126.003 5.001 12.505 521 1HB GLU 79 HB2 GLU 79 126.887 6.225 9.895 522 2HB GLU 79 HB1 GLU 79 125.885 7.042 11.083 523 1HG GLU 79 HG2 GLU 79 128.622 5.979 11.706 524 2HG GLU 79 HG1 GLU 79 128.334 7.610 11.106 Start of MODEL 24 1 H THR 13 H THR 13 75.125 8.483 0.817 2 HA THR 13 HA THR 13 74.739 7.648 3.039 3 HB THR 13 HB THR 13 76.882 6.233 3.031 4 HG1 THR 13 HG1 THR 13 77.347 7.644 0.622 5 1HG2 THR 13 HG21 THR 13 75.249 5.131 1.899 6 2HG2 THR 13 HG22 THR 13 76.384 5.427 0.582 7 3HG2 THR 13 HG23 THR 13 74.970 6.463 0.777 8 H PHE 14 HN PHE 14 74.821 8.299 5.073 9 HA PHE 14 HA PHE 14 76.893 10.089 6.000 10 1HB PHE 14 HB2 PHE 14 74.365 10.108 6.611 11 2HB PHE 14 HB1 PHE 14 74.797 8.847 7.762 12 HD1 PHE 14 HD1 PHE 14 75.063 12.383 6.934 13 HD2 PHE 14 HD2 PHE 14 76.233 9.332 9.660 14 HE1 PHE 14 HE1 PHE 14 75.784 14.101 8.540 15 HE2 PHE 14 HE2 PHE 14 76.955 11.045 11.273 16 HZ PHE 14 HZ PHE 14 76.732 13.433 10.714 17 H LEU 15 HN LEU 15 75.785 6.803 6.765 18 HA LEU 15 HA LEU 15 77.761 6.320 8.753 19 1HB LEU 15 HB2 LEU 15 76.306 4.235 7.136 20 2HB LEU 15 HB1 LEU 15 76.996 4.060 8.739 21 HG LEU 15 HG LEU 15 74.794 6.036 8.290 22 1HD1 LEU 15 HD11 LEU 15 73.455 3.874 9.210 23 2HD1 LEU 15 HD12 LEU 15 74.596 3.113 8.101 24 3HD1 LEU 15 HD13 LEU 15 73.504 4.369 7.518 25 1HD2 LEU 15 HD21 LEU 15 74.377 4.876 10.685 26 2HD2 LEU 15 HD22 LEU 15 75.395 6.297 10.448 27 3HD2 LEU 15 HD23 LEU 15 76.125 4.695 10.550 28 H THR 16 HN THR 16 77.416 4.898 5.491 29 HA THR 16 HA THR 16 79.802 3.567 5.335 30 HB THR 16 HB THR 16 78.470 5.067 3.074 31 HG1 THR 16 HG1 THR 16 78.039 2.470 4.117 32 1HG2 THR 16 HG21 THR 16 79.883 4.131 1.661 33 2HG2 THR 16 HG22 THR 16 79.591 2.536 2.354 34 3HG2 THR 16 HG23 THR 16 80.835 3.580 3.040 35 H GLN 17 HN GLN 17 79.283 7.008 5.086 36 HA GLN 17 HA GLN 17 81.681 7.743 3.839 37 1HB GLN 17 HB2 GLN 17 79.634 9.193 4.426 38 2HB GLN 17 HB1 GLN 17 80.388 9.386 6.001 39 1HG GLN 17 HG2 GLN 17 82.269 10.479 5.066 40 2HG GLN 17 HG1 GLN 17 81.783 10.048 3.426 41 1HE2 GLN 17 HE21 GLN 17 80.796 11.565 2.309 42 2HE2 GLN 17 HE22 GLN 17 79.958 12.928 2.959 43 H VAL 18 HN VAL 18 80.934 7.829 7.325 44 HA VAL 18 HA VAL 18 83.509 8.346 8.238 45 HB VAL 18 HB VAL 18 81.455 6.659 9.670 46 1HG1 VAL 18 HG11 VAL 18 83.972 7.097 10.446 47 2HG1 VAL 18 HG12 VAL 18 82.630 6.983 11.584 48 3HG1 VAL 18 HG13 VAL 18 83.228 8.564 11.081 49 1HG2 VAL 18 HG21 VAL 18 81.514 9.458 10.409 50 2HG2 VAL 18 HG22 VAL 18 80.146 8.440 9.961 51 3HG2 VAL 18 HG23 VAL 18 81.095 9.243 8.710 52 H LYS 19 HN LYS 19 81.972 5.325 7.346 53 HA LYS 19 HA LYS 19 83.861 3.539 8.426 54 1HB LYS 19 HB2 LYS 19 82.062 3.291 6.015 55 2HB LYS 19 HB1 LYS 19 82.972 1.956 6.708 56 1HG LYS 19 HG2 LYS 19 81.750 2.244 8.823 57 2HG LYS 19 HG1 LYS 19 80.804 3.534 8.078 58 1HD LYS 19 HD2 LYS 19 79.408 1.716 7.807 59 2HD LYS 19 HD1 LYS 19 80.281 1.725 6.273 60 1HE LYS 19 HE2 LYS 19 80.272 -0.520 7.013 61 2HE LYS 19 HE1 LYS 19 81.895 0.094 7.324 62 1HZ LYS 19 HZ1 LYS 19 79.740 -0.487 9.249 63 2HZ LYS 19 HZ2 LYS 19 80.967 0.606 9.648 64 3HZ LYS 19 HZ3 LYS 19 81.352 -0.997 9.271 65 H GLU 20 HN GLU 20 83.452 4.597 5.059 66 HA GLU 20 HA GLU 20 85.876 3.537 4.123 67 1HB GLU 20 HB2 GLU 20 84.350 5.916 3.048 68 2HB GLU 20 HB1 GLU 20 85.560 4.988 2.174 69 1HG GLU 20 HG2 GLU 20 83.238 3.516 3.273 70 2HG GLU 20 HG1 GLU 20 82.962 4.569 1.886 71 H SER 21 HN SER 21 85.183 6.313 6.011 72 HA SER 21 HA SER 21 87.558 7.777 5.332 73 1HB SER 21 HB2 SER 21 85.141 8.321 6.597 74 2HB SER 21 HB1 SER 21 86.341 8.463 7.877 75 HG SER 21 HG SER 21 86.029 9.971 5.545 76 H LEU 22 HN LEU 22 86.446 6.116 8.292 77 HA LEU 22 HA LEU 22 88.911 6.303 9.634 78 1HB LEU 22 HB2 LEU 22 88.016 4.770 11.224 79 2HB LEU 22 HB1 LEU 22 86.712 5.820 10.706 80 HG LEU 22 HG LEU 22 86.342 3.776 8.992 81 1HD1 LEU 22 HD11 LEU 22 86.619 1.670 10.214 82 2HD1 LEU 22 HD12 LEU 22 87.459 2.534 11.502 83 3HD1 LEU 22 HD13 LEU 22 88.168 2.450 9.889 84 1HD2 LEU 22 HD21 LEU 22 85.313 3.799 11.825 85 2HD2 LEU 22 HD22 LEU 22 84.536 3.075 10.417 86 3HD2 LEU 22 HD23 LEU 22 84.701 4.827 10.529 87 H SER 23 HN SER 23 87.620 3.978 7.369 88 HA SER 23 HA SER 23 89.579 1.969 7.793 89 1HB SER 23 HB2 SER 23 87.327 1.694 6.622 90 2HB SER 23 HB1 SER 23 88.086 2.428 5.210 91 H SER 24 HN SER 24 89.344 4.723 5.620 92 HA SER 24 HA SER 24 91.654 4.127 4.098 93 1HB SER 24 HB2 SER 24 90.311 6.780 4.632 94 2HB SER 24 HB1 SER 24 91.568 6.510 3.426 95 HG SER 24 HG SER 24 90.087 4.875 2.549 96 H TYR 25 HN TYR 25 91.117 5.758 7.149 97 HA TYR 25 HA TYR 25 93.510 7.123 7.462 98 1HB TYR 25 HB2 TYR 25 91.271 6.626 8.953 99 2HB TYR 25 HB1 TYR 25 92.499 5.752 9.856 100 HD1 TYR 25 HD1 TYR 25 93.386 6.933 11.624 101 HD2 TYR 25 HD2 TYR 25 92.278 9.057 8.110 102 HE1 TYR 25 HE1 TYR 25 94.125 9.033 12.668 103 HE2 TYR 25 HE2 TYR 25 93.014 11.163 9.142 104 HH TYR 25 HH TYR 25 93.294 11.799 12.026 105 H TRP 26 HN TRP 26 92.692 3.751 7.961 106 HA TRP 26 HA TRP 26 95.463 3.134 8.703 107 1HB TRP 26 HB2 TRP 26 92.978 1.406 8.805 108 2HB TRP 26 HB1 TRP 26 94.581 0.922 9.351 109 HD1 TRP 26 HD1 TRP 26 91.566 2.988 10.383 110 HE1 TRP 26 HE1 TRP 26 91.862 3.745 12.825 111 HE3 TRP 26 HE3 TRP 26 96.407 1.517 11.108 112 HZ2 TRP 26 HZ2 TRP 26 93.881 3.721 14.798 113 HZ3 TRP 26 HZ3 TRP 26 97.447 1.921 13.301 114 HH2 TRP 26 HH2 TRP 26 96.208 3.001 15.107 115 H GLU 27 HN GLU 27 93.312 3.046 6.045 116 HA GLU 27 HA GLU 27 94.233 0.755 4.692 117 1HB GLU 27 HB2 GLU 27 92.200 2.215 4.157 118 2HB GLU 27 HB1 GLU 27 93.324 3.278 3.323 119 1HG GLU 27 HG2 GLU 27 92.276 1.805 1.744 120 2HG GLU 27 HG1 GLU 27 93.988 1.406 1.876 121 H SER 28 HN SER 28 95.442 4.062 4.818 122 HA SER 28 HA SER 28 97.325 3.822 2.730 123 1HB SER 28 HB2 SER 28 97.058 6.024 3.248 124 2HB SER 28 HB1 SER 28 96.852 5.716 4.970 125 HG SER 28 HG SER 28 99.319 5.546 3.572 126 H ALA 29 HN ALA 29 97.514 3.243 6.211 127 HA ALA 29 HA ALA 29 100.276 2.682 6.318 128 1HB ALA 29 HB1 ALA 29 99.180 3.077 8.382 129 2HB ALA 29 HB2 ALA 29 99.636 1.373 8.402 130 3HB ALA 29 HB3 ALA 29 97.970 1.836 8.061 131 H LYS 30 HN LYS 30 97.437 0.801 5.553 132 HA LYS 30 HA LYS 30 98.816 -1.713 5.373 133 1HB LYS 30 HB2 LYS 30 96.115 -0.823 5.346 134 2HB LYS 30 HB1 LYS 30 96.388 -1.709 3.852 135 1HG LYS 30 HG2 LYS 30 96.382 -3.662 4.906 136 2HG LYS 30 HG1 LYS 30 97.514 -3.090 6.132 137 1HD LYS 30 HD2 LYS 30 95.582 -1.936 7.242 138 2HD LYS 30 HD1 LYS 30 94.517 -2.762 6.102 139 1HE LYS 30 HE2 LYS 30 94.496 -4.541 7.430 140 2HE LYS 30 HE1 LYS 30 96.238 -4.711 7.218 141 1HZ LYS 30 HZ1 LYS 30 96.254 -4.398 9.426 142 2HZ LYS 30 HZ2 LYS 30 94.742 -3.641 9.455 143 3HZ LYS 30 HZ3 LYS 30 96.121 -2.757 9.033 144 H THR 31 HN THR 31 98.204 0.993 3.302 145 HA THR 31 HA THR 31 98.621 -0.342 0.815 146 HB THR 31 HB THR 31 98.602 2.537 1.686 147 HG1 THR 31 HG1 THR 31 96.584 1.719 1.451 148 1HG2 THR 31 HG21 THR 31 99.010 1.580 -1.132 149 2HG2 THR 31 HG22 THR 31 100.215 2.395 -0.137 150 3HG2 THR 31 HG23 THR 31 98.747 3.245 -0.616 151 H ALA 32 HN ALA 32 100.636 2.006 2.610 152 HA ALA 32 HA ALA 32 102.956 1.640 1.089 153 1HB ALA 32 HB1 ALA 32 104.092 2.868 2.736 154 2HB ALA 32 HB2 ALA 32 103.013 2.315 4.016 155 3HB ALA 32 HB3 ALA 32 102.435 3.467 2.812 156 H ALA 33 HN ALA 33 101.573 -0.170 3.703 157 HA ALA 33 HA ALA 33 103.914 -1.758 4.222 158 1HB ALA 33 HB1 ALA 33 102.370 -1.478 6.021 159 2HB ALA 33 HB2 ALA 33 102.304 -3.170 5.532 160 3HB ALA 33 HB3 ALA 33 101.026 -2.059 5.037 161 H GLN 34 HN GLN 34 100.927 -2.077 2.371 162 HA GLN 34 HA GLN 34 101.112 -4.746 1.607 163 1HB GLN 34 HB2 GLN 34 99.676 -2.376 0.725 164 2HB GLN 34 HB1 GLN 34 100.088 -3.423 -0.623 165 1HG GLN 34 HG2 GLN 34 99.139 -5.270 1.042 166 2HG GLN 34 HG1 GLN 34 98.236 -3.875 1.636 167 1HE2 GLN 34 HE21 GLN 34 96.251 -4.113 0.861 168 2HE2 GLN 34 HE22 GLN 34 95.843 -4.385 -0.795 169 H ASN 35 HN ASN 35 102.763 -1.907 0.384 170 HA ASN 35 HA ASN 35 103.712 -2.806 -2.033 171 1HB ASN 35 HB2 ASN 35 104.040 -0.600 -0.469 172 2HB ASN 35 HB1 ASN 35 105.655 -1.298 -0.436 173 1HD2 ASN 35 HD21 ASN 35 103.615 0.718 -2.081 174 2HD2 ASN 35 HD22 ASN 35 104.436 0.772 -3.600 175 H LEU 36 HN LEU 36 105.704 -2.775 0.919 176 HA LEU 36 HA LEU 36 107.617 -4.567 -0.105 177 1HB LEU 36 HB2 LEU 36 107.288 -2.862 2.060 178 2HB LEU 36 HB1 LEU 36 107.464 -4.447 2.781 179 HG LEU 36 HG LEU 36 109.521 -4.466 0.994 180 1HD1 LEU 36 HD11 LEU 36 108.734 -1.846 0.916 181 2HD1 LEU 36 HD12 LEU 36 110.341 -2.446 0.506 182 3HD1 LEU 36 HD13 LEU 36 110.020 -1.822 2.124 183 1HD2 LEU 36 HD21 LEU 36 110.962 -4.013 2.934 184 2HD2 LEU 36 HD22 LEU 36 109.661 -5.139 3.319 185 3HD2 LEU 36 HD23 LEU 36 109.552 -3.456 3.835 186 H TYR 37 HN TYR 37 104.626 -5.039 1.621 187 HA TYR 37 HA TYR 37 105.293 -7.789 2.324 188 1HB TYR 37 HB2 TYR 37 103.205 -5.853 3.087 189 2HB TYR 37 HB1 TYR 37 102.688 -7.533 3.026 190 HD1 TYR 37 HD1 TYR 37 104.990 -5.159 4.640 191 HD2 TYR 37 HD2 TYR 37 103.473 -9.132 4.623 192 HE1 TYR 37 HE1 TYR 37 106.027 -5.558 6.834 193 HE2 TYR 37 HE2 TYR 37 104.501 -9.542 6.818 194 HH TYR 37 HH TYR 37 105.607 -7.134 8.809 195 H GLU 38 HN GLU 38 104.088 -6.311 -0.417 196 HA GLU 38 HA GLU 38 103.055 -8.858 -1.372 197 1HB GLU 38 HB2 GLU 38 101.404 -6.333 -1.505 198 2HB GLU 38 HB1 GLU 38 100.999 -7.856 -2.280 199 1HG GLU 38 HG2 GLU 38 101.209 -8.787 0.165 200 2HG GLU 38 HG1 GLU 38 100.899 -7.105 0.592 201 H LYS 39 HN LYS 39 103.234 -5.450 -2.404 202 HA LYS 39 HA LYS 39 103.508 -5.875 -5.106 203 1HB LYS 39 HB2 LYS 39 104.697 -3.712 -3.381 204 2HB LYS 39 HB1 LYS 39 104.801 -3.697 -5.134 205 1HG LYS 39 HG2 LYS 39 102.088 -4.138 -4.265 206 2HG LYS 39 HG1 LYS 39 102.753 -2.663 -3.565 207 1HD LYS 39 HD2 LYS 39 101.839 -1.949 -5.588 208 2HD LYS 39 HD1 LYS 39 103.555 -2.136 -5.949 209 1HE LYS 39 HE2 LYS 39 103.183 -4.210 -7.047 210 2HE LYS 39 HE1 LYS 39 101.521 -4.292 -6.465 211 1HZ LYS 39 HZ1 LYS 39 101.475 -1.986 -7.792 212 2HZ LYS 39 HZ2 LYS 39 101.081 -3.473 -8.494 213 3HZ LYS 39 HZ3 LYS 39 102.627 -2.822 -8.706 214 H THR 40 HN THR 40 105.940 -6.191 -2.614 215 HA THR 40 HA THR 40 107.999 -6.721 -4.619 216 HB THR 40 HB THR 40 108.129 -6.272 -1.636 217 HG1 THR 40 HG1 THR 40 107.878 -4.391 -2.830 218 1HG2 THR 40 HG21 THR 40 110.026 -7.433 -1.667 219 2HG2 THR 40 HG22 THR 40 110.686 -6.023 -2.497 220 3HG2 THR 40 HG23 THR 40 110.128 -7.415 -3.426 221 H TYR 41 HN TYR 41 105.815 -8.380 -2.619 222 HA TYR 41 HA TYR 41 107.388 -10.687 -2.065 223 1HB TYR 41 HB2 TYR 41 104.993 -9.679 -1.174 224 2HB TYR 41 HB1 TYR 41 104.489 -11.069 -2.128 225 HD1 TYR 41 HD1 TYR 41 105.279 -10.067 1.071 226 HD2 TYR 41 HD2 TYR 41 106.094 -13.226 -1.659 227 HE1 TYR 41 HE1 TYR 41 105.816 -11.552 2.956 228 HE2 TYR 41 HE2 TYR 41 106.634 -14.718 0.218 229 HH TYR 41 HH TYR 41 107.246 -13.659 3.293 230 H LEU 42 HN LEU 42 105.145 -9.786 -4.622 231 HA LEU 42 HA LEU 42 105.955 -12.215 -6.068 232 1HB LEU 42 HB2 LEU 42 103.267 -11.376 -5.301 233 2HB LEU 42 HB1 LEU 42 103.416 -11.695 -7.018 234 HG LEU 42 HG LEU 42 104.185 -13.650 -4.851 235 1HD1 LEU 42 HD11 LEU 42 102.077 -14.777 -6.064 236 2HD1 LEU 42 HD12 LEU 42 101.624 -13.077 -6.200 237 3HD1 LEU 42 HD13 LEU 42 101.944 -13.781 -4.614 238 1HD2 LEU 42 HD21 LEU 42 103.872 -14.004 -7.831 239 2HD2 LEU 42 HD22 LEU 42 104.286 -15.264 -6.668 240 3HD2 LEU 42 HD23 LEU 42 105.404 -13.931 -6.959 241 HA PRO 43 HA PRO 43 104.956 -9.092 -9.528 242 1HB PRO 43 HB2 PRO 43 103.770 -6.731 -8.944 243 2HB PRO 43 HB1 PRO 43 102.849 -8.206 -9.258 244 1HG PRO 43 HG2 PRO 43 103.595 -6.965 -6.639 245 2HG PRO 43 HG1 PRO 43 102.039 -7.643 -7.147 246 1HD PRO 43 HD2 PRO 43 103.781 -9.013 -5.601 247 2HD PRO 43 HD1 PRO 43 102.722 -9.814 -6.777 248 H ALA 44 HN ALA 44 107.286 -9.207 -8.261 249 HA ALA 44 HA ALA 44 108.246 -6.427 -8.243 250 1HB ALA 44 HB1 ALA 44 109.356 -6.695 -6.312 251 2HB ALA 44 HB2 ALA 44 109.867 -8.333 -6.722 252 3HB ALA 44 HB3 ALA 44 108.258 -8.051 -6.057 253 H VAL 45 HN VAL 45 108.189 -9.070 -10.040 254 HA VAL 45 HA VAL 45 110.765 -9.832 -10.668 255 HB VAL 45 HB VAL 45 108.599 -9.417 -12.728 256 1HG1 VAL 45 HG11 VAL 45 109.896 -11.742 -13.322 257 2HG1 VAL 45 HG12 VAL 45 111.205 -10.748 -12.681 258 3HG1 VAL 45 HG13 VAL 45 110.248 -10.172 -14.045 259 1HG2 VAL 45 HG21 VAL 45 108.684 -11.203 -10.431 260 2HG2 VAL 45 HG22 VAL 45 108.487 -12.061 -11.959 261 3HG2 VAL 45 HG23 VAL 45 107.343 -10.800 -11.503 262 H ASP 46 HN ASP 46 109.137 -6.849 -11.368 263 HA ASP 46 HA ASP 46 110.699 -5.930 -13.507 264 1HB ASP 46 HB2 ASP 46 109.014 -4.610 -11.415 265 2HB ASP 46 HB1 ASP 46 110.042 -3.613 -12.441 266 H GLU 47 HN GLU 47 111.331 -6.114 -10.094 267 HA GLU 47 HA GLU 47 113.489 -4.244 -10.068 268 1HB GLU 47 HB2 GLU 47 113.091 -6.495 -8.114 269 2HB GLU 47 HB1 GLU 47 113.893 -4.955 -7.846 270 1HG GLU 47 HG2 GLU 47 110.949 -5.301 -8.359 271 2HG GLU 47 HG1 GLU 47 111.686 -5.090 -6.773 272 H LYS 48 HN LYS 48 113.290 -7.791 -10.205 273 HA LYS 48 HA LYS 48 116.002 -8.374 -10.129 274 1HB LYS 48 HB2 LYS 48 113.760 -9.758 -11.610 275 2HB LYS 48 HB1 LYS 48 115.381 -10.424 -11.461 276 1HG LYS 48 HG2 LYS 48 114.874 -11.291 -9.493 277 2HG LYS 48 HG1 LYS 48 114.458 -9.694 -8.868 278 1HD LYS 48 HD2 LYS 48 112.234 -10.017 -9.153 279 2HD LYS 48 HD1 LYS 48 112.453 -10.970 -10.622 280 1HE LYS 48 HE2 LYS 48 111.604 -12.468 -9.013 281 2HE LYS 48 HE1 LYS 48 113.328 -12.818 -9.128 282 1HZ LYS 48 HZ1 LYS 48 112.743 -12.767 -6.844 283 2HZ LYS 48 HZ2 LYS 48 111.947 -11.283 -6.999 284 3HZ LYS 48 HZ3 LYS 48 113.630 -11.359 -7.153 285 H LEU 49 HN LEU 49 113.936 -7.628 -12.904 286 HA LEU 49 HA LEU 49 116.116 -7.720 -14.764 287 1HB LEU 49 HB2 LEU 49 114.543 -7.284 -16.420 288 2HB LEU 49 HB1 LEU 49 113.645 -8.189 -15.218 289 HG LEU 49 HG LEU 49 112.884 -5.873 -14.350 290 1HD1 LEU 49 HD11 LEU 49 112.713 -4.427 -16.604 291 2HD1 LEU 49 HD12 LEU 49 114.286 -5.186 -16.854 292 3HD1 LEU 49 HD13 LEU 49 113.995 -4.217 -15.410 293 1HD2 LEU 49 HD21 LEU 49 110.934 -6.260 -15.412 294 2HD2 LEU 49 HD22 LEU 49 111.748 -7.727 -15.953 295 3HD2 LEU 49 HD23 LEU 49 111.689 -6.312 -17.004 296 H ARG 50 HN ARG 50 114.863 -5.389 -12.584 297 HA ARG 50 HA ARG 50 116.098 -3.174 -14.063 298 1HB ARG 50 HB2 ARG 50 113.763 -2.950 -13.156 299 2HB ARG 50 HB1 ARG 50 114.448 -3.023 -11.538 300 1HG ARG 50 HG2 ARG 50 114.628 -0.815 -11.640 301 2HG ARG 50 HG1 ARG 50 115.925 -1.056 -12.812 302 1HD ARG 50 HD2 ARG 50 113.114 -1.113 -13.776 303 2HD ARG 50 HD1 ARG 50 113.823 0.446 -13.362 304 HE ARG 50 HE ARG 50 115.698 -0.470 -14.955 305 1HH1 ARG 50 HH11 ARG 50 112.233 -0.690 -15.359 306 2HH1 ARG 50 HH12 ARG 50 112.315 -0.718 -17.087 307 1HH2 ARG 50 HH21 ARG 50 115.799 -0.502 -17.225 308 2HH2 ARG 50 HH22 ARG 50 114.336 -0.609 -18.146 309 H ASP 51 HN ASP 51 117.336 -5.423 -12.265 310 HA ASP 51 HA ASP 51 118.653 -3.845 -10.221 311 1HB ASP 51 HB2 ASP 51 118.392 -6.703 -10.878 312 2HB ASP 51 HB1 ASP 51 119.975 -6.243 -10.257 313 H LEU 52 HN LEU 52 119.476 -5.458 -13.259 314 HA LEU 52 HA LEU 52 122.211 -5.081 -13.303 315 1HB LEU 52 HB2 LEU 52 122.058 -5.177 -15.731 316 2HB LEU 52 HB1 LEU 52 121.009 -6.370 -14.990 317 HG LEU 52 HG LEU 52 119.250 -4.343 -15.298 318 1HD1 LEU 52 HD11 LEU 52 120.325 -2.737 -16.473 319 2HD1 LEU 52 HD12 LEU 52 119.834 -3.747 -17.833 320 3HD1 LEU 52 HD13 LEU 52 121.471 -3.869 -17.190 321 1HD2 LEU 52 HD21 LEU 52 118.244 -5.690 -16.844 322 2HD2 LEU 52 HD22 LEU 52 119.395 -6.836 -16.157 323 3HD2 LEU 52 HD23 LEU 52 119.753 -6.039 -17.688 324 H TYR 53 HN TYR 53 119.637 -2.814 -14.094 325 HA TYR 53 HA TYR 53 121.220 -0.749 -15.158 326 1HB TYR 53 HB2 TYR 53 118.588 -1.094 -14.962 327 2HB TYR 53 HB1 TYR 53 118.803 -0.074 -13.545 328 HD1 TYR 53 HD1 TYR 53 120.147 2.130 -13.924 329 HD2 TYR 53 HD2 TYR 53 118.306 -0.100 -17.045 330 HE1 TYR 53 HE1 TYR 53 120.178 4.124 -15.358 331 HE2 TYR 53 HE2 TYR 53 118.330 1.892 -18.488 332 HH TYR 53 HH TYR 53 118.387 4.419 -18.140 333 H SER 54 HN SER 54 119.834 -1.060 -11.886 334 HA SER 54 HA SER 54 121.523 1.042 -10.858 335 1HB SER 54 HB2 SER 54 120.295 -0.421 -8.737 336 2HB SER 54 HB1 SER 54 119.885 1.181 -9.339 337 HG SER 54 HG SER 54 118.575 -1.165 -9.665 338 H LYS 55 HN LYS 55 122.610 -1.652 -11.833 339 HA LYS 55 HA LYS 55 124.262 -2.100 -9.452 340 1HB LYS 55 HB2 LYS 55 122.733 -4.034 -10.094 341 2HB LYS 55 HB1 LYS 55 123.704 -4.203 -11.550 342 1HG LYS 55 HG2 LYS 55 124.816 -5.687 -10.275 343 2HG LYS 55 HG1 LYS 55 125.655 -4.239 -9.717 344 1HD LYS 55 HD2 LYS 55 123.159 -4.879 -8.293 345 2HD LYS 55 HD1 LYS 55 124.471 -6.039 -8.077 346 1HE LYS 55 HE2 LYS 55 125.953 -4.277 -7.331 347 2HE LYS 55 HE1 LYS 55 124.714 -3.064 -7.651 348 1HZ LYS 55 HZ1 LYS 55 123.967 -5.229 -5.857 349 2HZ LYS 55 HZ2 LYS 55 123.598 -3.579 -5.776 350 3HZ LYS 55 HZ3 LYS 55 125.111 -4.134 -5.263 351 H SER 56 HN SER 56 124.137 -1.290 -12.766 352 HA SER 56 HA SER 56 126.543 -2.012 -13.841 353 1HB SER 56 HB2 SER 56 124.763 0.353 -14.084 354 2HB SER 56 HB1 SER 56 126.413 0.566 -14.676 355 HG SER 56 HG SER 56 125.354 -0.252 -16.388 356 H THR 57 HN THR 57 125.852 0.326 -11.372 357 HA THR 57 HA THR 57 128.343 0.237 -10.148 358 HB THR 57 HB THR 57 129.137 1.416 -12.159 359 HG1 THR 57 HG1 THR 57 129.049 3.021 -9.824 360 1HG2 THR 57 HG21 THR 57 128.264 3.999 -11.918 361 2HG2 THR 57 HG22 THR 57 126.787 3.060 -11.697 362 3HG2 THR 57 HG23 THR 57 127.758 2.846 -13.153 363 H ALA 58 HN ALA 58 125.432 0.348 -9.647 364 HA ALA 58 HA ALA 58 124.130 1.083 -7.915 365 1HB ALA 58 HB1 ALA 58 126.119 3.218 -7.217 366 2HB ALA 58 HB2 ALA 58 126.416 1.535 -6.778 367 3HB ALA 58 HB3 ALA 58 124.985 2.366 -6.167 368 H ALA 59 HN ALA 59 123.857 1.863 -10.521 369 HA ALA 59 HA ALA 59 123.709 4.618 -11.005 370 1HB ALA 59 HB1 ALA 59 122.172 2.316 -12.169 371 2HB ALA 59 HB2 ALA 59 123.537 3.186 -12.866 372 3HB ALA 59 HB3 ALA 59 121.967 3.974 -12.729 373 H MET 60 HN MET 60 121.302 2.421 -9.665 374 HA MET 60 HA MET 60 119.815 4.771 -8.684 375 1HB MET 60 HB2 MET 60 118.367 2.277 -9.509 376 2HB MET 60 HB1 MET 60 117.739 3.904 -9.306 377 1HG MET 60 HG2 MET 60 119.628 3.080 -11.497 378 2HG MET 60 HG1 MET 60 117.874 3.142 -11.662 379 1HE MET 60 HE1 MET 60 117.625 4.358 -13.379 380 2HE MET 60 HE2 MET 60 118.739 5.610 -13.926 381 3HE MET 60 HE3 MET 60 117.218 6.060 -13.155 382 H SER 61 HN SER 61 121.506 2.078 -7.831 383 HA SER 61 HA SER 61 119.830 1.208 -5.644 384 1HB SER 61 HB2 SER 61 121.462 -0.452 -5.233 385 2HB SER 61 HB1 SER 61 121.436 -0.275 -6.986 386 HG SER 61 HG SER 61 123.560 -0.273 -5.802 387 H THR 62 HN THR 62 122.191 3.623 -6.168 388 HA THR 62 HA THR 62 123.452 3.839 -3.707 389 HB THR 62 HB THR 62 124.236 5.217 -5.461 390 HG1 THR 62 HG1 THR 62 122.869 7.000 -3.740 391 1HG2 THR 62 HG21 THR 62 123.017 6.335 -6.940 392 2HG2 THR 62 HG22 THR 62 122.045 7.102 -5.684 393 3HG2 THR 62 HG23 THR 62 121.627 5.490 -6.261 394 H TYR 63 HN TYR 63 120.352 5.216 -4.753 395 HA TYR 63 HA TYR 63 119.798 6.540 -2.308 396 1HB TYR 63 HB2 TYR 63 118.703 6.377 -4.870 397 2HB TYR 63 HB1 TYR 63 117.455 5.762 -3.798 398 HD1 TYR 63 HD1 TYR 63 119.832 8.632 -4.059 399 HD2 TYR 63 HD2 TYR 63 115.989 7.276 -2.836 400 HE1 TYR 63 HE1 TYR 63 119.214 10.936 -3.464 401 HE2 TYR 63 HE2 TYR 63 115.360 9.577 -2.239 402 HH TYR 63 HH TYR 63 116.305 12.037 -3.146 403 H THR 64 HN THR 64 119.193 3.337 -3.578 404 HA THR 64 HA THR 64 117.236 2.449 -1.804 405 HB THR 64 HB THR 64 119.502 0.710 -2.769 406 HG1 THR 64 HG1 THR 64 117.295 1.723 -4.219 407 1HG2 THR 64 HG21 THR 64 117.156 -0.619 -3.192 408 2HG2 THR 64 HG22 THR 64 116.849 0.230 -1.678 409 3HG2 THR 64 HG23 THR 64 118.236 -0.850 -1.817 410 H GLY 65 HN GLY 65 120.541 3.168 -1.333 411 1HA GLY 65 HA2 GLY 65 120.670 1.773 1.231 412 2HA GLY 65 HA1 GLY 65 122.003 2.590 0.424 413 H ILE 66 HN ILE 66 120.070 4.919 -0.073 414 HA ILE 66 HA ILE 66 120.637 6.240 2.455 415 HB ILE 66 HB ILE 66 119.453 7.451 -0.040 416 1HG1 ILE 66 HG12 ILE 66 121.627 6.508 -0.578 417 2HG1 ILE 66 HG11 ILE 66 121.751 8.262 -0.503 418 1HG2 ILE 66 HG21 ILE 66 120.543 8.561 2.516 419 2HG2 ILE 66 HG22 ILE 66 119.026 8.930 1.697 420 3HG2 ILE 66 HG23 ILE 66 120.551 9.522 1.038 421 1HD1 ILE 66 HD11 ILE 66 123.668 7.313 0.547 422 2HD1 ILE 66 HD12 ILE 66 122.662 6.284 1.568 423 3HD1 ILE 66 HD13 ILE 66 122.654 8.033 1.797 424 H PHE 67 HN PHE 67 118.073 4.642 0.980 425 HA PHE 67 HA PHE 67 115.904 6.172 2.003 426 1HB PHE 67 HB2 PHE 67 116.257 4.110 0.196 427 2HB PHE 67 HB1 PHE 67 115.375 3.351 1.514 428 HD1 PHE 67 HD1 PHE 67 113.383 4.947 2.433 429 HD2 PHE 67 HD2 PHE 67 114.986 4.951 -1.509 430 HE1 PHE 67 HE1 PHE 67 111.290 5.924 1.587 431 HE2 PHE 67 HE2 PHE 67 112.895 5.928 -2.362 432 HZ PHE 67 HZ PHE 67 111.044 6.416 -0.814 433 H THR 68 HN THR 68 117.473 3.160 2.971 434 HA THR 68 HA THR 68 115.903 2.554 5.192 435 HB THR 68 HB THR 68 118.795 1.927 5.351 436 HG1 THR 68 HG1 THR 68 118.796 1.563 3.261 437 1HG2 THR 68 HG21 THR 68 117.147 0.823 6.805 438 2HG2 THR 68 HG22 THR 68 118.027 -0.309 5.777 439 3HG2 THR 68 HG23 THR 68 116.372 0.148 5.372 440 H ASP 69 HN ASP 69 118.242 5.035 4.781 441 HA ASP 69 HA ASP 69 119.304 5.386 7.293 442 1HB ASP 69 HB2 ASP 69 118.575 7.300 5.110 443 2HB ASP 69 HB1 ASP 69 119.153 7.923 6.653 444 H GLN 70 HN GLN 70 116.041 5.923 6.270 445 HA GLN 70 HA GLN 70 115.409 7.327 8.764 446 1HB GLN 70 HB2 GLN 70 113.625 6.799 6.382 447 2HB GLN 70 HB1 GLN 70 113.252 7.829 7.758 448 1HG GLN 70 HG2 GLN 70 115.737 8.581 6.473 449 2HG GLN 70 HG1 GLN 70 114.369 8.617 5.363 450 1HE2 GLN 70 HE21 GLN 70 113.246 10.421 5.310 451 2HE2 GLN 70 HE22 GLN 70 113.176 11.616 6.557 452 H VAL 71 HN VAL 71 115.941 4.325 8.227 453 HA VAL 71 HA VAL 71 113.477 3.280 9.469 454 HB VAL 71 HB VAL 71 115.605 1.825 7.897 455 1HG1 VAL 71 HG11 VAL 71 113.549 0.097 7.998 456 2HG1 VAL 71 HG12 VAL 71 113.342 0.898 9.555 457 3HG1 VAL 71 HG13 VAL 71 114.867 0.102 9.169 458 1HG2 VAL 71 HG21 VAL 71 112.736 2.260 7.104 459 2HG2 VAL 71 HG22 VAL 71 114.067 1.663 6.113 460 3HG2 VAL 71 HG23 VAL 71 114.038 3.349 6.625 461 H LEU 72 HN LEU 72 117.004 2.812 9.417 462 HA LEU 72 HA LEU 72 117.020 1.416 11.911 463 1HB LEU 72 HB2 LEU 72 119.520 2.723 11.054 464 2HB LEU 72 HB1 LEU 72 119.234 1.078 11.567 465 HG LEU 72 HG LEU 72 118.321 2.002 8.866 466 1HD1 LEU 72 HD11 LEU 72 120.774 2.539 9.267 467 2HD1 LEU 72 HD12 LEU 72 120.391 1.520 7.879 468 3HD1 LEU 72 HD13 LEU 72 121.024 0.796 9.360 469 1HD2 LEU 72 HD21 LEU 72 117.929 -0.319 10.209 470 2HD2 LEU 72 HD22 LEU 72 119.409 -0.689 9.322 471 3HD2 LEU 72 HD23 LEU 72 117.963 -0.179 8.451 472 H SER 73 HN SER 73 117.513 4.714 10.849 473 HA SER 73 HA SER 73 118.314 5.724 13.413 474 1HB SER 73 HB2 SER 73 118.600 6.701 10.932 475 2HB SER 73 HB1 SER 73 117.127 7.551 11.396 476 HG SER 73 HG SER 73 119.300 8.521 11.913 477 H VAL 74 HN VAL 74 115.416 4.688 12.144 478 HA VAL 74 HA VAL 74 113.859 6.369 14.000 479 HB VAL 74 HB VAL 74 112.902 4.918 11.535 480 1HG1 VAL 74 HG11 VAL 74 110.926 6.622 12.076 481 2HG1 VAL 74 HG12 VAL 74 111.514 6.367 13.718 482 3HG1 VAL 74 HG13 VAL 74 110.980 4.993 12.750 483 1HG2 VAL 74 HG21 VAL 74 113.366 7.857 12.032 484 2HG2 VAL 74 HG22 VAL 74 112.601 7.178 10.596 485 3HG2 VAL 74 HG23 VAL 74 114.290 6.816 10.948 486 H LEU 75 HN LEU 75 114.899 3.198 13.235 487 HA LEU 75 HA LEU 75 112.824 2.011 14.959 488 1HB LEU 75 HB2 LEU 75 113.252 -0.061 13.976 489 2HB LEU 75 HB1 LEU 75 113.352 1.071 12.642 490 HG LEU 75 HG LEU 75 115.930 1.013 13.260 491 1HD1 LEU 75 HD11 LEU 75 116.689 -0.764 14.405 492 2HD1 LEU 75 HD12 LEU 75 115.458 -1.844 13.750 493 3HD1 LEU 75 HD13 LEU 75 115.065 -0.771 15.093 494 1HD2 LEU 75 HD21 LEU 75 114.646 0.320 11.139 495 2HD2 LEU 75 HD22 LEU 75 114.800 -1.322 11.761 496 3HD2 LEU 75 HD23 LEU 75 116.244 -0.371 11.414 497 H LYS 76 HN LYS 76 116.296 2.404 14.571 498 HA LYS 76 HA LYS 76 116.710 1.274 17.250 499 1HB LYS 76 HB2 LYS 76 118.025 0.129 15.608 500 2HB LYS 76 HB1 LYS 76 118.531 1.645 14.878 501 1HG LYS 76 HG2 LYS 76 120.147 2.011 16.427 502 2HG LYS 76 HG1 LYS 76 119.242 1.227 17.721 503 1HD LYS 76 HD2 LYS 76 119.739 -0.872 16.062 504 2HD LYS 76 HD1 LYS 76 121.186 0.110 15.824 505 1HE LYS 76 HE2 LYS 76 121.803 -1.207 17.612 506 2HE LYS 76 HE1 LYS 76 121.199 0.237 18.422 507 1HZ LYS 76 HZ1 LYS 76 119.329 -1.957 17.883 508 2HZ LYS 76 HZ2 LYS 76 119.338 -0.839 19.152 509 3HZ LYS 76 HZ3 LYS 76 120.428 -2.132 19.157 510 H GLY 77 HN GLY 77 116.385 4.125 15.544 511 1HA GLY 77 HA2 GLY 77 116.741 6.321 16.084 512 2HA GLY 77 HA1 GLY 77 117.058 5.775 17.726 513 H GLU 78 HN GLU 78 118.843 4.723 14.881 514 HA GLU 78 HA GLU 78 121.075 6.459 15.663 515 1HB GLU 78 HB2 GLU 78 120.913 3.718 16.381 516 2HB GLU 78 HB1 GLU 78 122.207 3.894 15.204 517 1HG GLU 78 HG2 GLU 78 122.156 5.905 17.348 518 2HG GLU 78 HG1 GLU 78 122.506 4.253 17.854 519 H GLU 79 HN GLU 79 119.623 4.376 13.234 520 HA GLU 79 HA GLU 79 119.817 4.484 10.950 521 1HB GLU 79 HB2 GLU 79 120.483 6.971 11.513 522 2HB GLU 79 HB1 GLU 79 122.090 6.417 11.070 523 1HG GLU 79 HG2 GLU 79 119.868 5.795 9.214 524 2HG GLU 79 HG1 GLU 79 120.413 7.469 9.312 Start of MODEL 25 1 H THR 13 H THR 13 94.543 12.005 15.588 2 HA THR 13 HA THR 13 94.401 14.898 15.144 3 HB THR 13 HB THR 13 93.176 14.124 13.002 4 HG1 THR 13 HG1 THR 13 94.849 11.874 13.407 5 1HG2 THR 13 HG21 THR 13 96.074 14.363 13.434 6 2HG2 THR 13 HG22 THR 13 95.010 15.223 12.321 7 3HG2 THR 13 HG23 THR 13 95.575 13.599 11.925 8 H PHE 14 HN PHE 14 92.022 15.325 14.479 9 HA PHE 14 HA PHE 14 90.319 13.907 16.413 10 1HB PHE 14 HB2 PHE 14 90.719 16.638 15.938 11 2HB PHE 14 HB1 PHE 14 89.131 16.293 15.261 12 HD1 PHE 14 HD1 PHE 14 90.993 16.927 18.225 13 HD2 PHE 14 HD2 PHE 14 87.456 15.078 16.750 14 HE1 PHE 14 HE1 PHE 14 90.026 16.982 20.486 15 HE2 PHE 14 HE2 PHE 14 86.481 15.130 19.007 16 HZ PHE 14 HZ PHE 14 87.766 16.083 20.880 17 H LEU 15 HN LEU 15 89.582 15.705 13.428 18 HA LEU 15 HA LEU 15 87.399 14.063 12.733 19 1HB LEU 15 HB2 LEU 15 89.060 15.851 10.952 20 2HB LEU 15 HB1 LEU 15 87.473 15.214 10.568 21 HG LEU 15 HG LEU 15 88.012 17.062 12.891 22 1HD1 LEU 15 HD11 LEU 15 87.007 18.815 11.493 23 2HD1 LEU 15 HD12 LEU 15 86.998 17.700 10.126 24 3HD1 LEU 15 HD13 LEU 15 88.529 18.220 10.828 25 1HD2 LEU 15 HD21 LEU 15 85.650 15.663 11.823 26 2HD2 LEU 15 HD22 LEU 15 85.413 17.355 12.255 27 3HD2 LEU 15 HD23 LEU 15 86.003 16.211 13.460 28 H THR 16 HN THR 16 90.731 14.188 11.506 29 HA THR 16 HA THR 16 90.514 12.189 9.570 30 HB THR 16 HB THR 16 92.925 12.915 11.248 31 HG1 THR 16 HG1 THR 16 93.331 14.425 9.729 32 1HG2 THR 16 HG21 THR 16 92.602 11.199 8.861 33 2HG2 THR 16 HG22 THR 16 93.754 11.092 10.192 34 3HG2 THR 16 HG23 THR 16 93.993 12.282 8.911 35 H GLN 17 HN GLN 17 90.928 11.980 13.037 36 HA GLN 17 HA GLN 17 91.652 9.219 13.063 37 1HB GLN 17 HB2 GLN 17 91.400 11.333 14.969 38 2HB GLN 17 HB1 GLN 17 90.499 9.942 15.552 39 1HG GLN 17 HG2 GLN 17 92.618 8.600 15.012 40 2HG GLN 17 HG1 GLN 17 93.420 10.169 14.944 41 1HE2 GLN 17 HE21 GLN 17 91.816 7.849 16.971 42 2HE2 GLN 17 HE22 GLN 17 92.303 8.527 18.484 43 H VAL 18 HN VAL 18 88.768 10.738 12.385 44 HA VAL 18 HA VAL 18 87.207 8.368 13.210 45 HB VAL 18 HB VAL 18 86.120 11.145 12.724 46 1HG1 VAL 18 HG11 VAL 18 84.084 10.302 13.706 47 2HG1 VAL 18 HG12 VAL 18 84.845 8.746 14.035 48 3HG1 VAL 18 HG13 VAL 18 84.560 9.255 12.370 49 1HG2 VAL 18 HG21 VAL 18 85.825 10.478 15.430 50 2HG2 VAL 18 HG22 VAL 18 86.876 11.713 14.738 51 3HG2 VAL 18 HG23 VAL 18 87.496 10.087 15.020 52 H LYS 19 HN LYS 19 87.866 10.724 10.690 53 HA LYS 19 HA LYS 19 85.982 9.696 8.811 54 1HB LYS 19 HB2 LYS 19 87.963 11.795 8.922 55 2HB LYS 19 HB1 LYS 19 88.089 10.920 7.403 56 1HG LYS 19 HG2 LYS 19 86.547 12.447 6.774 57 2HG LYS 19 HG1 LYS 19 85.446 11.250 7.459 58 1HD LYS 19 HD2 LYS 19 86.193 12.773 9.642 59 2HD LYS 19 HD1 LYS 19 86.044 13.957 8.342 60 1HE LYS 19 HE2 LYS 19 83.846 12.141 8.200 61 2HE LYS 19 HE1 LYS 19 83.987 12.739 9.851 62 1HZ LYS 19 HZ1 LYS 19 84.195 14.695 7.693 63 2HZ LYS 19 HZ2 LYS 19 83.503 14.849 9.229 64 3HZ LYS 19 HZ3 LYS 19 82.663 14.044 8.001 65 H GLU 20 HN GLU 20 89.537 9.640 8.735 66 HA GLU 20 HA GLU 20 89.742 7.604 6.819 67 1HB GLU 20 HB2 GLU 20 91.627 8.689 8.891 68 2HB GLU 20 HB1 GLU 20 92.083 7.304 7.909 69 1HG GLU 20 HG2 GLU 20 91.058 9.310 6.184 70 2HG GLU 20 HG1 GLU 20 92.230 10.058 7.268 71 H SER 21 HN SER 21 88.991 7.522 10.177 72 HA SER 21 HA SER 21 89.797 4.839 10.693 73 1HB SER 21 HB2 SER 21 88.899 7.006 12.170 74 2HB SER 21 HB1 SER 21 87.592 5.835 12.315 75 HG SER 21 HG SER 21 88.804 4.788 13.662 76 H LEU 22 HN LEU 22 86.608 6.352 10.201 77 HA LEU 22 HA LEU 22 85.209 3.896 10.029 78 1HB LEU 22 HB2 LEU 22 84.161 6.090 10.555 79 2HB LEU 22 HB1 LEU 22 84.423 6.581 8.892 80 HG LEU 22 HG LEU 22 83.043 4.357 8.410 81 1HD1 LEU 22 HD11 LEU 22 81.927 5.279 11.052 82 2HD1 LEU 22 HD12 LEU 22 82.886 3.817 10.829 83 3HD1 LEU 22 HD13 LEU 22 81.320 3.974 10.033 84 1HD2 LEU 22 HD21 LEU 22 81.970 7.069 9.149 85 2HD2 LEU 22 HD22 LEU 22 80.984 5.803 8.417 86 3HD2 LEU 22 HD23 LEU 22 82.369 6.458 7.543 87 H SER 23 HN SER 23 86.712 6.010 7.658 88 HA SER 23 HA SER 23 85.733 4.645 5.368 89 1HB SER 23 HB2 SER 23 87.299 6.945 5.869 90 2HB SER 23 HB1 SER 23 88.277 5.888 4.854 91 H SER 24 HN SER 24 88.534 4.284 7.432 92 HA SER 24 HA SER 24 90.034 2.540 5.828 93 1HB SER 24 HB2 SER 24 89.919 3.129 8.750 94 2HB SER 24 HB1 SER 24 90.807 1.707 8.208 95 HG SER 24 HG SER 24 91.482 4.332 8.042 96 H TYR 25 HN TYR 25 87.366 1.980 8.061 97 HA TYR 25 HA TYR 25 87.479 -0.765 8.346 98 1HB TYR 25 HB2 TYR 25 85.782 1.262 9.053 99 2HB TYR 25 HB1 TYR 25 84.793 0.344 7.925 100 HD1 TYR 25 HD1 TYR 25 85.355 -2.401 8.399 101 HD2 TYR 25 HD2 TYR 25 85.196 0.773 11.228 102 HE1 TYR 25 HE1 TYR 25 84.832 -4.019 10.175 103 HE2 TYR 25 HE2 TYR 25 84.674 -0.837 13.012 104 HH TYR 25 HH TYR 25 83.695 -3.099 13.223 105 H TRP 26 HN TRP 26 86.243 1.218 5.734 106 HA TRP 26 HA TRP 26 85.537 -1.166 4.175 107 1HB TRP 26 HB2 TRP 26 84.802 1.733 4.017 108 2HB TRP 26 HB1 TRP 26 84.701 0.740 2.567 109 HD1 TRP 26 HD1 TRP 26 82.789 -1.108 2.470 110 HE1 TRP 26 HE1 TRP 26 80.664 -1.482 3.874 111 HE3 TRP 26 HE3 TRP 26 83.864 1.969 6.406 112 HZ2 TRP 26 HZ2 TRP 26 79.587 -0.589 6.326 113 HZ3 TRP 26 HZ3 TRP 26 82.235 2.154 8.240 114 HH2 TRP 26 HH2 TRP 26 80.140 0.901 8.199 115 H GLU 27 HN GLU 27 88.011 1.173 4.521 116 HA GLU 27 HA GLU 27 88.925 1.296 1.838 117 1HB GLU 27 HB2 GLU 27 89.525 2.760 3.930 118 2HB GLU 27 HB1 GLU 27 90.793 1.566 4.161 119 1HG GLU 27 HG2 GLU 27 91.910 2.181 2.250 120 2HG GLU 27 HG1 GLU 27 90.466 2.854 1.495 121 H SER 28 HN SER 28 89.709 -0.818 4.564 122 HA SER 28 HA SER 28 91.848 -2.173 3.328 123 1HB SER 28 HB2 SER 28 91.834 -2.618 5.568 124 2HB SER 28 HB1 SER 28 90.076 -2.683 5.666 125 HG SER 28 HG SER 28 91.652 -4.714 5.656 126 H ALA 29 HN ALA 29 88.365 -2.727 3.369 127 HA ALA 29 HA ALA 29 88.379 -5.210 2.032 128 1HB ALA 29 HB1 ALA 29 86.284 -3.038 2.138 129 2HB ALA 29 HB2 ALA 29 86.378 -4.480 3.148 130 3HB ALA 29 HB3 ALA 29 86.022 -4.632 1.428 131 H LYS 30 HN LYS 30 88.485 -1.882 0.984 132 HA LYS 30 HA LYS 30 88.239 -2.470 -1.820 133 1HB LYS 30 HB2 LYS 30 88.336 -0.124 -0.148 134 2HB LYS 30 HB1 LYS 30 89.478 0.048 -1.472 135 1HG LYS 30 HG2 LYS 30 87.844 0.075 -3.065 136 2HG LYS 30 HG1 LYS 30 86.728 -0.889 -2.096 137 1HD LYS 30 HD2 LYS 30 87.396 1.708 -0.919 138 2HD LYS 30 HD1 LYS 30 86.563 1.816 -2.471 139 1HE LYS 30 HE2 LYS 30 84.794 0.351 -1.614 140 2HE LYS 30 HE1 LYS 30 85.625 0.261 -0.061 141 1HZ LYS 30 HZ1 LYS 30 83.714 2.042 -0.659 142 2HZ LYS 30 HZ2 LYS 30 85.103 2.945 -0.998 143 3HZ LYS 30 HZ3 LYS 30 84.888 2.273 0.538 144 H THR 31 HN THR 31 90.788 -2.235 0.526 145 HA THR 31 HA THR 31 92.950 -1.977 -1.321 146 HB THR 31 HB THR 31 92.817 -2.884 1.552 147 HG1 THR 31 HG1 THR 31 93.677 -0.437 0.409 148 1HG2 THR 31 HG21 THR 31 95.316 -1.966 0.204 149 2HG2 THR 31 HG22 THR 31 94.855 -3.668 0.234 150 3HG2 THR 31 HG23 THR 31 95.119 -2.801 1.745 151 H ALA 32 HN ALA 32 91.897 -4.679 0.762 152 HA ALA 32 HA ALA 32 93.502 -6.649 -0.376 153 1HB ALA 32 HB1 ALA 32 92.031 -8.257 0.657 154 2HB ALA 32 HB2 ALA 32 90.754 -7.050 0.804 155 3HB ALA 32 HB3 ALA 32 92.236 -6.886 1.748 156 H ALA 33 HN ALA 33 90.596 -5.153 -1.473 157 HA ALA 33 HA ALA 33 89.921 -7.161 -3.420 158 1HB ALA 33 HB1 ALA 33 88.879 -4.499 -2.632 159 2HB ALA 33 HB2 ALA 33 88.023 -6.017 -2.906 160 3HB ALA 33 HB3 ALA 33 88.548 -5.039 -4.278 161 H GLN 34 HN GLN 34 91.513 -3.992 -3.423 162 HA GLN 34 HA GLN 34 91.887 -3.804 -6.215 163 1HB GLN 34 HB2 GLN 34 92.417 -2.205 -4.013 164 2HB GLN 34 HB1 GLN 34 94.017 -2.585 -4.631 165 1HG GLN 34 HG2 GLN 34 93.561 -1.605 -6.716 166 2HG GLN 34 HG1 GLN 34 91.828 -1.551 -6.400 167 1HE2 GLN 34 HE21 GLN 34 91.237 0.492 -6.252 168 2HE2 GLN 34 HE22 GLN 34 92.053 1.724 -5.356 169 H ASN 35 HN ASN 35 93.787 -5.284 -3.656 170 HA ASN 35 HA ASN 35 96.133 -5.767 -5.061 171 1HB ASN 35 HB2 ASN 35 95.123 -6.252 -2.533 172 2HB ASN 35 HB1 ASN 35 95.418 -7.864 -3.172 173 1HD2 ASN 35 HD21 ASN 35 97.255 -8.550 -2.329 174 2HD2 ASN 35 HD22 ASN 35 98.735 -7.661 -2.265 175 H LEU 36 HN LEU 36 93.389 -7.984 -4.498 176 HA LEU 36 HA LEU 36 94.441 -9.952 -6.269 177 1HB LEU 36 HB2 LEU 36 92.585 -9.774 -4.207 178 2HB LEU 36 HB1 LEU 36 91.648 -10.231 -5.614 179 HG LEU 36 HG LEU 36 94.148 -11.752 -5.076 180 1HD1 LEU 36 HD11 LEU 36 93.550 -12.334 -3.017 181 2HD1 LEU 36 HD12 LEU 36 92.170 -13.167 -3.733 182 3HD1 LEU 36 HD13 LEU 36 91.999 -11.507 -3.160 183 1HD2 LEU 36 HD21 LEU 36 91.463 -12.829 -5.843 184 2HD2 LEU 36 HD22 LEU 36 93.068 -13.469 -6.202 185 3HD2 LEU 36 HD23 LEU 36 92.488 -12.027 -7.034 186 H TYR 37 HN TYR 37 92.107 -7.333 -6.597 187 HA TYR 37 HA TYR 37 91.318 -8.375 -9.235 188 1HB TYR 37 HB2 TYR 37 90.042 -6.539 -7.271 189 2HB TYR 37 HB1 TYR 37 89.643 -6.352 -8.973 190 HD1 TYR 37 HD1 TYR 37 88.457 -8.108 -10.177 191 HD2 TYR 37 HD2 TYR 37 89.357 -8.508 -6.039 192 HE1 TYR 37 HE1 TYR 37 86.876 -9.986 -10.020 193 HE2 TYR 37 HE2 TYR 37 87.776 -10.384 -5.869 194 HH TYR 37 HH TYR 37 85.751 -11.204 -7.105 195 H GLU 38 HN GLU 38 93.607 -6.258 -8.109 196 HA GLU 38 HA GLU 38 93.554 -4.820 -10.669 197 1HB GLU 38 HB2 GLU 38 93.848 -3.555 -7.957 198 2HB GLU 38 HB1 GLU 38 94.409 -2.769 -9.423 199 1HG GLU 38 HG2 GLU 38 91.584 -3.621 -8.839 200 2HG GLU 38 HG1 GLU 38 92.210 -1.973 -8.790 201 H LYS 39 HN LYS 39 95.670 -4.820 -7.797 202 HA LYS 39 HA LYS 39 98.014 -4.556 -9.314 203 1HB LYS 39 HB2 LYS 39 99.149 -4.565 -7.337 204 2HB LYS 39 HB1 LYS 39 97.533 -4.252 -6.729 205 1HG LYS 39 HG2 LYS 39 97.972 -5.925 -5.321 206 2HG LYS 39 HG1 LYS 39 97.600 -6.968 -6.691 207 1HD LYS 39 HD2 LYS 39 100.037 -6.882 -7.290 208 2HD LYS 39 HD1 LYS 39 100.313 -6.058 -5.753 209 1HE LYS 39 HE2 LYS 39 99.248 -8.002 -4.604 210 2HE LYS 39 HE1 LYS 39 99.187 -8.827 -6.161 211 1HZ LYS 39 HZ1 LYS 39 101.265 -8.851 -4.372 212 2HZ LYS 39 HZ2 LYS 39 101.799 -7.832 -5.611 213 3HZ LYS 39 HZ3 LYS 39 101.305 -9.410 -5.968 214 H THR 40 HN THR 40 96.111 -7.340 -8.624 215 HA THR 40 HA THR 40 98.271 -9.140 -9.411 216 HB THR 40 HB THR 40 95.516 -9.669 -8.292 217 HG1 THR 40 HG1 THR 40 98.027 -10.200 -7.109 218 1HG2 THR 40 HG21 THR 40 96.097 -11.533 -9.684 219 2HG2 THR 40 HG22 THR 40 96.260 -11.986 -7.987 220 3HG2 THR 40 HG23 THR 40 97.695 -11.628 -8.948 221 H TYR 41 HN TYR 41 95.632 -7.509 -10.787 222 HA TYR 41 HA TYR 41 94.861 -9.475 -12.696 223 1HB TYR 41 HB2 TYR 41 93.841 -7.067 -11.819 224 2HB TYR 41 HB1 TYR 41 94.350 -6.707 -13.464 225 HD1 TYR 41 HD1 TYR 41 91.716 -7.919 -11.494 226 HD2 TYR 41 HD2 TYR 41 93.604 -8.507 -15.259 227 HE1 TYR 41 HE1 TYR 41 89.660 -8.950 -12.356 228 HE2 TYR 41 HE2 TYR 41 91.553 -9.540 -16.134 229 HH TYR 41 HH TYR 41 88.566 -9.429 -14.426 230 H LEU 42 HN LEU 42 96.178 -6.281 -13.490 231 HA LEU 42 HA LEU 42 97.580 -7.500 -15.741 232 1HB LEU 42 HB2 LEU 42 96.394 -5.726 -16.574 233 2HB LEU 42 HB1 LEU 42 96.574 -4.773 -15.115 234 HG LEU 42 HG LEU 42 98.923 -4.313 -15.725 235 1HD1 LEU 42 HD11 LEU 42 99.983 -5.223 -17.491 236 2HD1 LEU 42 HD12 LEU 42 98.535 -5.221 -18.497 237 3HD1 LEU 42 HD13 LEU 42 98.775 -6.495 -17.302 238 1HD2 LEU 42 HD21 LEU 42 96.921 -3.613 -17.869 239 2HD2 LEU 42 HD22 LEU 42 98.439 -2.773 -17.554 240 3HD2 LEU 42 HD23 LEU 42 97.151 -2.749 -16.350 241 HA PRO 43 HA PRO 43 101.235 -5.078 -13.802 242 1HB PRO 43 HB2 PRO 43 100.851 -3.773 -11.446 243 2HB PRO 43 HB1 PRO 43 100.606 -3.014 -13.024 244 1HG PRO 43 HG2 PRO 43 98.589 -4.181 -11.148 245 2HG PRO 43 HG1 PRO 43 98.506 -2.680 -12.088 246 1HD PRO 43 HD2 PRO 43 97.254 -4.949 -12.855 247 2HD PRO 43 HD1 PRO 43 97.899 -3.778 -14.021 248 H ALA 44 HN ALA 44 100.839 -7.625 -13.445 249 HA ALA 44 HA ALA 44 101.869 -8.156 -10.756 250 1HB ALA 44 HB1 ALA 44 100.210 -9.513 -10.138 251 2HB ALA 44 HB2 ALA 44 100.177 -10.320 -11.706 252 3HB ALA 44 HB3 ALA 44 99.286 -8.817 -11.469 253 H VAL 45 HN VAL 45 102.707 -8.089 -13.762 254 HA VAL 45 HA VAL 45 104.291 -10.567 -13.631 255 HB VAL 45 HB VAL 45 103.076 -9.467 -16.170 256 1HG1 VAL 45 HG11 VAL 45 105.311 -10.856 -16.061 257 2HG1 VAL 45 HG12 VAL 45 104.109 -11.159 -17.315 258 3HG1 VAL 45 HG13 VAL 45 104.194 -12.212 -15.903 259 1HG2 VAL 45 HG21 VAL 45 101.181 -10.450 -15.518 260 2HG2 VAL 45 HG22 VAL 45 101.969 -11.242 -14.153 261 3HG2 VAL 45 HG23 VAL 45 102.017 -11.986 -15.751 262 H ASP 46 HN ASP 46 103.899 -7.464 -15.342 263 HA ASP 46 HA ASP 46 106.571 -7.279 -16.219 264 1HB ASP 46 HB2 ASP 46 104.263 -5.831 -16.632 265 2HB ASP 46 HB1 ASP 46 105.251 -4.711 -15.701 266 H GLU 47 HN GLU 47 104.934 -6.161 -13.300 267 HA GLU 47 HA GLU 47 106.984 -4.576 -12.245 268 1HB GLU 47 HB2 GLU 47 104.583 -5.928 -11.191 269 2HB GLU 47 HB1 GLU 47 105.828 -5.559 -10.008 270 1HG GLU 47 HG2 GLU 47 104.164 -3.789 -10.141 271 2HG GLU 47 HG1 GLU 47 105.759 -3.216 -10.625 272 H LYS 48 HN LYS 48 106.197 -7.978 -11.508 273 HA LYS 48 HA LYS 48 108.280 -8.540 -9.791 274 1HB LYS 48 HB2 LYS 48 106.280 -10.005 -10.789 275 2HB LYS 48 HB1 LYS 48 107.581 -10.622 -11.798 276 1HG LYS 48 HG2 LYS 48 108.846 -10.995 -9.600 277 2HG LYS 48 HG1 LYS 48 107.276 -10.785 -8.825 278 1HD LYS 48 HD2 LYS 48 107.610 -13.125 -9.169 279 2HD LYS 48 HD1 LYS 48 106.387 -12.583 -10.319 280 1HE LYS 48 HE2 LYS 48 109.013 -12.330 -11.461 281 2HE LYS 48 HE1 LYS 48 108.764 -13.970 -10.866 282 1HZ LYS 48 HZ1 LYS 48 106.904 -12.534 -12.680 283 2HZ LYS 48 HZ2 LYS 48 106.776 -14.143 -12.178 284 3HZ LYS 48 HZ3 LYS 48 108.053 -13.670 -13.182 285 H LEU 49 HN LEU 49 108.311 -8.169 -13.245 286 HA LEU 49 HA LEU 49 111.066 -9.117 -13.453 287 1HB LEU 49 HB2 LEU 49 108.868 -8.533 -15.358 288 2HB LEU 49 HB1 LEU 49 110.504 -8.277 -15.937 289 HG LEU 49 HG LEU 49 109.773 -10.877 -14.643 290 1HD1 LEU 49 HD11 LEU 49 108.360 -9.922 -16.812 291 2HD1 LEU 49 HD12 LEU 49 108.536 -11.612 -16.341 292 3HD1 LEU 49 HD13 LEU 49 109.622 -10.914 -17.542 293 1HD2 LEU 49 HD21 LEU 49 111.922 -9.807 -16.388 294 2HD2 LEU 49 HD22 LEU 49 111.462 -11.498 -16.588 295 3HD2 LEU 49 HD23 LEU 49 112.018 -10.915 -15.019 296 H ARG 50 HN ARG 50 109.300 -6.188 -13.104 297 HA ARG 50 HA ARG 50 111.537 -4.575 -14.097 298 1HB ARG 50 HB2 ARG 50 108.649 -4.129 -13.696 299 2HB ARG 50 HB1 ARG 50 109.676 -2.762 -13.290 300 1HG ARG 50 HG2 ARG 50 110.389 -3.977 -15.832 301 2HG ARG 50 HG1 ARG 50 108.723 -3.399 -15.790 302 1HD ARG 50 HD2 ARG 50 110.008 -1.323 -14.625 303 2HD ARG 50 HD1 ARG 50 111.256 -1.898 -15.729 304 HE ARG 50 HE ARG 50 108.722 -0.677 -16.430 305 1HH1 ARG 50 HH11 ARG 50 111.504 -2.477 -17.533 306 2HH1 ARG 50 HH12 ARG 50 111.293 -2.024 -19.190 307 1HH2 ARG 50 HH21 ARG 50 108.444 -0.086 -18.607 308 2HH2 ARG 50 HH22 ARG 50 109.555 -0.669 -19.801 309 H ASP 51 HN ASP 51 110.749 -6.037 -11.281 310 HA ASP 51 HA ASP 51 111.140 -3.928 -9.409 311 1HB ASP 51 HB2 ASP 51 110.891 -6.878 -9.306 312 2HB ASP 51 HB1 ASP 51 111.784 -6.133 -7.983 313 H LEU 52 HN LEU 52 113.237 -6.562 -10.574 314 HA LEU 52 HA LEU 52 115.525 -6.040 -9.159 315 1HB LEU 52 HB2 LEU 52 116.771 -6.947 -11.126 316 2HB LEU 52 HB1 LEU 52 115.442 -7.948 -10.572 317 HG LEU 52 HG LEU 52 114.481 -6.176 -12.609 318 1HD1 LEU 52 HD11 LEU 52 117.045 -7.604 -13.206 319 2HD1 LEU 52 HD12 LEU 52 116.581 -5.947 -13.588 320 3HD1 LEU 52 HD13 LEU 52 115.852 -7.291 -14.467 321 1HD2 LEU 52 HD21 LEU 52 114.905 -9.160 -12.652 322 2HD2 LEU 52 HD22 LEU 52 113.790 -8.232 -13.654 323 3HD2 LEU 52 HD23 LEU 52 113.521 -8.351 -11.915 324 H TYR 53 HN TYR 53 114.197 -4.260 -11.838 325 HA TYR 53 HA TYR 53 116.463 -2.732 -12.531 326 1HB TYR 53 HB2 TYR 53 114.020 -3.005 -13.595 327 2HB TYR 53 HB1 TYR 53 113.762 -1.500 -12.723 328 HD1 TYR 53 HD1 TYR 53 116.229 -3.070 -15.049 329 HD2 TYR 53 HD2 TYR 53 114.264 0.489 -13.795 330 HE1 TYR 53 HE1 TYR 53 117.332 -1.831 -16.861 331 HE2 TYR 53 HE2 TYR 53 115.359 1.738 -15.606 332 HH TYR 53 HH TYR 53 116.389 1.293 -17.794 333 H SER 54 HN SER 54 113.646 -1.839 -10.530 334 HA SER 54 HA SER 54 115.119 0.423 -9.435 335 1HB SER 54 HB2 SER 54 112.530 0.213 -10.134 336 2HB SER 54 HB1 SER 54 112.401 -0.215 -8.429 337 HG SER 54 HG SER 54 112.935 1.768 -7.875 338 H LYS 55 HN LYS 55 115.563 -2.547 -8.766 339 HA LYS 55 HA LYS 55 115.365 -2.267 -5.838 340 1HB LYS 55 HB2 LYS 55 114.188 -4.230 -7.144 341 2HB LYS 55 HB1 LYS 55 115.801 -4.927 -7.128 342 1HG LYS 55 HG2 LYS 55 114.648 -5.798 -5.257 343 2HG LYS 55 HG1 LYS 55 115.802 -4.614 -4.639 344 1HD LYS 55 HD2 LYS 55 113.648 -3.035 -5.014 345 2HD LYS 55 HD1 LYS 55 112.850 -4.566 -4.651 346 1HE LYS 55 HE2 LYS 55 115.097 -3.668 -2.914 347 2HE LYS 55 HE1 LYS 55 113.526 -2.889 -2.736 348 1HZ LYS 55 HZ1 LYS 55 113.934 -4.862 -1.271 349 2HZ LYS 55 HZ2 LYS 55 113.880 -5.830 -2.657 350 3HZ LYS 55 HZ3 LYS 55 112.519 -4.938 -2.197 351 H SER 56 HN SER 56 117.431 -2.941 -8.560 352 HA SER 56 HA SER 56 119.734 -3.224 -6.743 353 1HB SER 56 HB2 SER 56 120.910 -4.301 -8.572 354 2HB SER 56 HB1 SER 56 119.360 -5.104 -8.329 355 HG SER 56 HG SER 56 119.991 -3.182 -10.320 356 H THR 57 HN THR 57 118.215 -0.813 -8.132 357 HA THR 57 HA THR 57 120.701 0.596 -8.830 358 HB THR 57 HB THR 57 119.673 1.711 -10.658 359 HG1 THR 57 HG1 THR 57 117.235 0.430 -9.995 360 1HG2 THR 57 HG21 THR 57 120.251 -0.190 -11.710 361 2HG2 THR 57 HG22 THR 57 118.502 -0.354 -11.873 362 3HG2 THR 57 HG23 THR 57 119.354 -1.215 -10.590 363 H ALA 58 HN ALA 58 117.655 0.593 -7.203 364 HA ALA 58 HA ALA 58 118.192 3.328 -6.246 365 1HB ALA 58 HB1 ALA 58 115.539 3.005 -5.747 366 2HB ALA 58 HB2 ALA 58 115.721 2.107 -7.255 367 3HB ALA 58 HB3 ALA 58 116.200 3.803 -7.175 368 H ALA 59 HN ALA 59 116.821 0.169 -5.418 369 HA ALA 59 HA ALA 59 116.566 0.716 -2.646 370 1HB ALA 59 HB1 ALA 59 116.727 -1.950 -2.654 371 2HB ALA 59 HB2 ALA 59 116.399 -1.682 -4.365 372 3HB ALA 59 HB3 ALA 59 115.276 -1.078 -3.149 373 H MET 60 HN MET 60 119.289 0.192 -4.608 374 HA MET 60 HA MET 60 120.891 -0.625 -2.264 375 1HB MET 60 HB2 MET 60 122.552 -1.466 -3.816 376 2HB MET 60 HB1 MET 60 120.989 -2.190 -4.161 377 1HG MET 60 HG2 MET 60 121.424 -1.664 -6.273 378 2HG MET 60 HG1 MET 60 120.972 -0.025 -5.809 379 1HE MET 60 HE1 MET 60 125.233 -1.673 -5.879 380 2HE MET 60 HE2 MET 60 124.165 -2.178 -7.189 381 3HE MET 60 HE3 MET 60 123.740 -2.538 -5.515 382 H SER 61 HN SER 61 120.602 1.655 -4.904 383 HA SER 61 HA SER 61 123.027 3.039 -4.418 384 1HB SER 61 HB2 SER 61 121.501 3.086 -6.518 385 2HB SER 61 HB1 SER 61 120.609 4.335 -5.648 386 HG SER 61 HG SER 61 123.408 4.447 -6.063 387 H THR 62 HN THR 62 119.922 3.100 -2.916 388 HA THR 62 HA THR 62 120.226 5.706 -1.735 389 HB THR 62 HB THR 62 118.302 3.504 -0.970 390 HG1 THR 62 HG1 THR 62 117.354 3.906 -2.777 391 1HG2 THR 62 HG21 THR 62 117.063 5.966 -0.717 392 2HG2 THR 62 HG22 THR 62 118.668 6.203 -0.025 393 3HG2 THR 62 HG23 THR 62 117.623 4.921 0.588 394 H TYR 63 HN TYR 63 120.725 2.357 -0.748 395 HA TYR 63 HA TYR 63 121.264 2.951 1.985 396 1HB TYR 63 HB2 TYR 63 120.840 0.688 0.404 397 2HB TYR 63 HB1 TYR 63 122.476 0.521 1.024 398 HD1 TYR 63 HD1 TYR 63 119.007 0.131 1.749 399 HD2 TYR 63 HD2 TYR 63 122.801 0.767 3.567 400 HE1 TYR 63 HE1 TYR 63 118.105 -0.656 3.896 401 HE2 TYR 63 HE2 TYR 63 121.909 -0.020 5.718 402 HH TYR 63 HH TYR 63 118.799 -0.198 6.463 403 H THR 64 HN THR 64 123.152 2.722 -0.950 404 HA THR 64 HA THR 64 125.715 2.434 0.068 405 HB THR 64 HB THR 64 125.984 4.259 -2.036 406 HG1 THR 64 HG1 THR 64 124.186 4.192 -3.080 407 1HG2 THR 64 HG21 THR 64 126.214 1.346 -1.715 408 2HG2 THR 64 HG22 THR 64 127.355 2.516 -2.378 409 3HG2 THR 64 HG23 THR 64 126.016 1.932 -3.366 410 H GLY 65 HN GLY 65 123.547 5.083 0.184 411 1HA GLY 65 HA2 GLY 65 125.587 6.992 1.007 412 2HA GLY 65 HA1 GLY 65 123.870 7.318 0.807 413 H ILE 66 HN ILE 66 123.268 4.828 2.421 414 HA ILE 66 HA ILE 66 123.449 6.135 5.021 415 HB ILE 66 HB ILE 66 121.969 3.591 4.380 416 1HG1 ILE 66 HG12 ILE 66 121.210 5.367 2.860 417 2HG1 ILE 66 HG11 ILE 66 119.967 4.965 4.041 418 1HG2 ILE 66 HG21 ILE 66 122.476 4.897 6.778 419 2HG2 ILE 66 HG22 ILE 66 121.265 3.647 6.489 420 3HG2 ILE 66 HG23 ILE 66 120.821 5.348 6.368 421 1HD1 ILE 66 HD11 ILE 66 121.648 7.418 3.831 422 2HD1 ILE 66 HD12 ILE 66 120.943 6.949 5.378 423 3HD1 ILE 66 HD13 ILE 66 119.898 7.264 3.992 424 H PHE 67 HN PHE 67 125.047 3.750 3.259 425 HA PHE 67 HA PHE 67 125.728 1.882 5.233 426 1HB PHE 67 HB2 PHE 67 126.165 2.193 2.553 427 2HB PHE 67 HB1 PHE 67 127.775 2.457 3.211 428 HD1 PHE 67 HD1 PHE 67 125.228 0.037 2.437 429 HD2 PHE 67 HD2 PHE 67 128.826 0.673 4.620 430 HE1 PHE 67 HE1 PHE 67 125.536 -2.397 2.633 431 HE2 PHE 67 HE2 PHE 67 129.142 -1.761 4.817 432 HZ PHE 67 HZ PHE 67 127.495 -3.298 3.823 433 H THR 68 HN THR 68 127.367 4.803 4.114 434 HA THR 68 HA THR 68 129.669 4.682 5.642 435 HB THR 68 HB THR 68 128.492 7.373 5.411 436 HG1 THR 68 HG1 THR 68 127.691 7.006 3.511 437 1HG2 THR 68 HG21 THR 68 130.604 7.708 4.056 438 2HG2 THR 68 HG22 THR 68 131.049 6.073 4.546 439 3HG2 THR 68 HG23 THR 68 130.803 7.323 5.766 440 H ASP 69 HN ASP 69 126.421 5.375 6.634 441 HA ASP 69 HA ASP 69 126.841 6.832 8.959 442 1HB ASP 69 HB2 ASP 69 124.635 6.048 7.772 443 2HB ASP 69 HB1 ASP 69 124.745 4.697 8.898 444 H GLN 70 HN GLN 70 127.390 3.473 8.304 445 HA GLN 70 HA GLN 70 127.920 2.959 11.142 446 1HB GLN 70 HB2 GLN 70 127.271 1.211 8.807 447 2HB GLN 70 HB1 GLN 70 128.196 0.532 10.140 448 1HG GLN 70 HG2 GLN 70 125.575 1.940 10.539 449 2HG GLN 70 HG1 GLN 70 125.693 0.211 10.214 450 1HE2 GLN 70 HE21 GLN 70 126.569 -1.150 11.777 451 2HE2 GLN 70 HE22 GLN 70 126.769 -0.653 13.420 452 H VAL 71 HN VAL 71 129.625 4.316 8.895 453 HA VAL 71 HA VAL 71 132.036 2.650 9.125 454 HB VAL 71 HB VAL 71 131.439 5.024 7.349 455 1HG1 VAL 71 HG11 VAL 71 133.922 4.376 8.176 456 2HG1 VAL 71 HG12 VAL 71 133.567 5.046 6.586 457 3HG1 VAL 71 HG13 VAL 71 133.771 3.307 6.784 458 1HG2 VAL 71 HG21 VAL 71 131.711 2.089 6.721 459 2HG2 VAL 71 HG22 VAL 71 131.479 3.375 5.536 460 3HG2 VAL 71 HG23 VAL 71 130.217 3.024 6.717 461 H LEU 72 HN LEU 72 131.449 6.184 9.081 462 HA LEU 72 HA LEU 72 133.741 6.736 10.611 463 1HB LEU 72 HB2 LEU 72 132.412 8.958 11.050 464 2HB LEU 72 HB1 LEU 72 133.075 8.608 9.467 465 HG LEU 72 HG LEU 72 130.295 7.709 9.923 466 1HD1 LEU 72 HD11 LEU 72 129.477 9.653 10.598 467 2HD1 LEU 72 HD12 LEU 72 130.068 10.390 9.110 468 3HD1 LEU 72 HD13 LEU 72 131.078 10.390 10.556 469 1HD2 LEU 72 HD21 LEU 72 132.049 8.550 7.733 470 2HD2 LEU 72 HD22 LEU 72 130.394 9.147 7.608 471 3HD2 LEU 72 HD23 LEU 72 130.699 7.415 7.738 472 H SER 73 HN SER 73 130.486 5.889 11.379 473 HA SER 73 HA SER 73 130.477 6.688 14.096 474 1HB SER 73 HB2 SER 73 128.494 6.119 12.557 475 2HB SER 73 HB1 SER 73 128.834 4.443 12.983 476 HG SER 73 HG SER 73 127.266 5.555 14.347 477 H VAL 74 HN VAL 74 132.077 4.195 12.468 478 HA VAL 74 HA VAL 74 132.454 2.731 14.998 479 HB VAL 74 HB VAL 74 132.584 1.525 12.241 480 1HG1 VAL 74 HG11 VAL 74 133.921 0.332 13.852 481 2HG1 VAL 74 HG12 VAL 74 132.470 -0.607 13.501 482 3HG1 VAL 74 HG13 VAL 74 132.584 0.311 15.003 483 1HG2 VAL 74 HG21 VAL 74 130.421 0.429 12.899 484 2HG2 VAL 74 HG22 VAL 74 130.314 2.160 12.582 485 3HG2 VAL 74 HG23 VAL 74 130.332 1.567 14.242 486 H LEU 75 HN LEU 75 133.999 4.283 12.277 487 HA LEU 75 HA LEU 75 136.581 3.394 13.415 488 1HB LEU 75 HB2 LEU 75 137.564 3.175 11.281 489 2HB LEU 75 HB1 LEU 75 136.061 2.275 11.269 490 HG LEU 75 HG LEU 75 135.108 4.487 10.201 491 1HD1 LEU 75 HD11 LEU 75 137.460 4.886 8.668 492 2HD1 LEU 75 HD12 LEU 75 137.881 5.071 10.370 493 3HD1 LEU 75 HD13 LEU 75 136.590 6.046 9.671 494 1HD2 LEU 75 HD21 LEU 75 135.895 3.546 7.941 495 2HD2 LEU 75 HD22 LEU 75 134.938 2.501 8.990 496 3HD2 LEU 75 HD23 LEU 75 136.687 2.296 8.900 497 H LYS 76 HN LYS 76 134.719 6.148 12.691 498 HA LYS 76 HA LYS 76 137.147 7.795 12.438 499 1HB LYS 76 HB2 LYS 76 134.338 8.099 11.616 500 2HB LYS 76 HB1 LYS 76 135.117 9.555 12.189 501 1HG LYS 76 HG2 LYS 76 136.911 8.293 10.410 502 2HG LYS 76 HG1 LYS 76 135.322 8.304 9.644 503 1HD LYS 76 HD2 LYS 76 136.372 10.328 9.011 504 2HD LYS 76 HD1 LYS 76 135.189 10.757 10.246 505 1HE LYS 76 HE2 LYS 76 137.516 10.190 11.663 506 2HE LYS 76 HE1 LYS 76 138.065 11.082 10.245 507 1HZ LYS 76 HZ1 LYS 76 136.526 12.847 10.782 508 2HZ LYS 76 HZ2 LYS 76 137.536 12.548 12.105 509 3HZ LYS 76 HZ3 LYS 76 135.941 11.985 12.114 510 H GLY 77 HN GLY 77 134.764 6.828 14.664 511 1HA GLY 77 HA2 GLY 77 135.362 7.386 17.017 512 2HA GLY 77 HA1 GLY 77 135.494 9.053 16.464 513 H GLU 78 HN GLU 78 133.066 6.656 15.591 514 HA GLU 78 HA GLU 78 130.823 6.585 15.813 515 1HB GLU 78 HB2 GLU 78 131.644 6.851 18.255 516 2HB GLU 78 HB1 GLU 78 130.986 8.476 18.122 517 1HG GLU 78 HG2 GLU 78 128.944 7.724 18.506 518 2HG GLU 78 HG1 GLU 78 129.062 6.611 17.143 519 H GLU 79 HN GLU 79 131.346 8.118 13.771 520 HA GLU 79 HA GLU 79 130.414 9.747 12.470 521 1HB GLU 79 HB2 GLU 79 128.377 9.186 14.008 522 2HB GLU 79 HB1 GLU 79 128.746 10.732 14.756 523 1HG GLU 79 HG2 GLU 79 128.189 10.340 11.828 524 2HG GLU 79 HG1 GLU 79 126.999 10.856 13.020
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