NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25557 | 2k9u | 16002 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 117.459 12.303 45.106 2 H2 GLY 1 HT2 GLY 1 117.672 11.378 46.514 3 H3 GLY 1 HT3 GLY 1 116.258 11.206 45.589 4 HA2 GLY 1 HA2 GLY 1 117.119 9.515 44.429 5 HA3 GLY 1 HA1 GLY 1 118.416 10.649 43.960 6 H ILE 2 HN ILE 2 119.010 8.025 44.272 7 HA ILE 2 HA ILE 2 121.742 8.721 44.690 8 HB ILE 2 HB ILE 2 120.926 8.860 47.058 9 HG12 ILE 2 HG12 ILE 2 122.685 6.416 46.813 10 HG13 ILE 2 HG11 ILE 2 123.273 7.997 46.303 11 HG21 ILE 2 HG21 ILE 2 120.579 5.875 47.110 12 HG22 ILE 2 HG22 ILE 2 119.238 6.871 46.546 13 HG23 ILE 2 HG23 ILE 2 119.889 7.105 48.166 14 HD11 ILE 2 HD11 ILE 2 122.031 7.573 49.024 15 HD12 ILE 2 HD12 ILE 2 123.070 8.894 48.488 16 HD13 ILE 2 HD13 ILE 2 123.747 7.285 48.736 17 HA PRO 3 HA PRO 3 120.219 4.652 42.688 18 HB2 PRO 3 HB2 PRO 3 121.293 5.457 40.172 19 HB3 PRO 3 HB1 PRO 3 119.580 5.375 40.601 20 HG2 PRO 3 HG2 PRO 3 121.312 7.765 40.340 21 HG3 PRO 3 HG1 PRO 3 119.544 7.659 40.305 22 HD2 PRO 3 HD2 PRO 3 121.045 8.670 42.450 23 HD3 PRO 3 HD1 PRO 3 119.364 8.099 42.540 24 H GLU 4 HN GLU 4 122.903 6.104 40.948 25 HA GLU 4 HA GLU 4 125.199 5.485 40.892 26 HB2 GLU 4 HB2 GLU 4 124.868 4.059 43.549 27 HB3 GLU 4 HB1 GLU 4 126.312 4.802 42.876 28 HG2 GLU 4 HG2 GLU 4 123.879 6.209 44.003 29 HG3 GLU 4 HG1 GLU 4 125.539 6.287 44.585 30 H PHE 5 HN PHE 5 122.552 3.721 41.027 31 HA PHE 5 HA PHE 5 123.707 1.100 40.263 32 HB2 PHE 5 HB2 PHE 5 121.141 2.128 41.505 33 HB3 PHE 5 HB1 PHE 5 121.009 0.728 40.416 34 HD1 PHE 5 HD1 PHE 5 122.794 -1.197 40.837 35 HD2 PHE 5 HD2 PHE 5 121.616 1.723 43.762 36 HE1 PHE 5 HE1 PHE 5 123.574 -2.697 42.652 37 HE2 PHE 5 HE2 PHE 5 122.397 0.223 45.573 38 HZ PHE 5 HZ PHE 5 123.376 -1.987 45.019 39 H PHE 6 HN PHE 6 123.458 3.859 39.081 40 HA PHE 6 HA PHE 6 122.805 4.976 37.192 41 HB2 PHE 6 HB2 PHE 6 123.012 3.644 35.069 42 HB3 PHE 6 HB1 PHE 6 124.419 3.547 36.125 43 HD1 PHE 6 HD2 PHE 6 124.911 1.510 37.412 44 HD2 PHE 6 HD1 PHE 6 121.566 1.699 34.721 45 HE1 PHE 6 HE2 PHE 6 124.708 -0.960 37.487 46 HE2 PHE 6 HE1 PHE 6 121.366 -0.769 34.798 47 HZ PHE 6 HZ PHE 6 122.936 -2.100 36.180 48 H GLN 7 HN GLN 7 121.341 3.755 34.954 49 HA GLN 7 HA GLN 7 119.124 3.221 34.333 50 HB2 GLN 7 HB2 GLN 7 119.113 1.995 36.742 51 HB3 GLN 7 HB1 GLN 7 118.111 3.380 37.170 52 HG2 GLN 7 HG2 GLN 7 116.564 2.866 35.345 53 HG3 GLN 7 HG1 GLN 7 117.587 1.526 34.826 54 HE21 GLN 7 HE21 GLN 7 116.743 2.433 38.195 55 HE22 GLN 7 HE22 GLN 7 115.953 0.973 38.553 56 H PHE 8 HN PHE 8 120.509 5.612 36.123 57 HA PHE 8 HA PHE 8 118.630 7.611 35.079 58 HB2 PHE 8 HB2 PHE 8 119.317 7.336 38.008 59 HB3 PHE 8 HB1 PHE 8 118.666 8.822 37.317 60 HD1 PHE 8 HD2 PHE 8 116.403 8.801 36.223 61 HD2 PHE 8 HD1 PHE 8 117.919 5.444 38.433 62 HE1 PHE 8 HE2 PHE 8 114.110 7.871 36.383 63 HE2 PHE 8 HE1 PHE 8 115.626 4.513 38.592 64 HZ PHE 8 HZ PHE 8 113.722 5.727 37.567 65 H THR 9 HN THR 9 121.596 6.839 36.726 66 HA THR 9 HA THR 9 122.873 9.349 35.758 67 HB THR 9 HB THR 9 124.070 7.061 37.365 68 HG1 THR 9 HG1 THR 9 122.478 7.967 38.595 69 HG21 THR 9 HG21 THR 9 124.984 9.843 36.630 70 HG22 THR 9 HG22 THR 9 125.841 8.315 36.427 71 HG23 THR 9 HG23 THR 9 125.639 9.004 38.037 72 H VAL 10 HN VAL 10 121.956 6.499 34.606 73 HA VAL 10 HA VAL 10 124.065 5.150 33.446 74 HB VAL 10 HB VAL 10 121.703 4.482 33.220 75 HG11 VAL 10 HG11 VAL 10 120.913 6.844 32.753 76 HG12 VAL 10 HG12 VAL 10 120.197 5.594 31.736 77 HG13 VAL 10 HG13 VAL 10 121.477 6.622 31.100 78 HG21 VAL 10 HG21 VAL 10 121.792 3.750 30.854 79 HG22 VAL 10 HG22 VAL 10 123.340 3.515 31.664 80 HG23 VAL 10 HG23 VAL 10 123.119 4.871 30.563 81 H GLY 11 HN GLY 11 122.544 8.123 32.289 82 HA2 GLY 11 HA2 GLY 11 124.448 9.687 31.363 83 HA3 GLY 11 HA1 GLY 11 124.615 8.416 30.156 84 HA PRO 12 HA PRO 12 121.281 10.274 27.848 85 HB2 PRO 12 HB2 PRO 12 119.985 7.952 26.928 86 HB3 PRO 12 HB1 PRO 12 121.401 8.691 26.167 87 HG2 PRO 12 HG2 PRO 12 121.253 6.277 27.909 88 HG3 PRO 12 HG1 PRO 12 122.418 6.667 26.637 89 HD2 PRO 12 HD2 PRO 12 122.962 6.841 29.358 90 HD3 PRO 12 HD1 PRO 12 123.840 7.733 28.102 91 H LEU 13 HN LEU 13 120.918 9.928 30.636 92 HA LEU 13 HA LEU 13 119.344 9.446 32.344 93 HB2 LEU 13 HB2 LEU 13 117.281 10.942 31.914 94 HB3 LEU 13 HB1 LEU 13 118.858 11.713 32.004 95 HG LEU 13 HG LEU 13 117.887 10.832 29.296 96 HD11 LEU 13 HD11 LEU 13 115.919 11.949 30.218 97 HD12 LEU 13 HD12 LEU 13 116.688 12.983 29.014 98 HD13 LEU 13 HD13 LEU 13 116.912 13.313 30.731 99 HD21 LEU 13 HD21 LEU 13 119.439 13.229 30.330 100 HD22 LEU 13 HD22 LEU 13 119.057 12.938 28.635 101 HD23 LEU 13 HD23 LEU 13 120.121 11.834 29.498 102 H GLY 14 HN GLY 14 119.288 7.297 30.480 103 HA2 GLY 14 HA2 GLY 14 117.921 5.436 30.053 104 HA3 GLY 14 HA1 GLY 14 116.723 6.153 31.138 105 H GLU 15 HN GLU 15 116.484 8.640 29.666 106 HA GLU 15 HA GLU 15 115.195 9.551 27.960 107 HB2 GLU 15 HB2 GLU 15 117.045 8.379 26.608 108 HB3 GLU 15 HB1 GLU 15 115.858 7.111 26.321 109 HG2 GLU 15 HG2 GLU 15 115.696 8.623 24.465 110 HG3 GLU 15 HG1 GLU 15 114.285 8.921 25.479 111 H GLY 16 HN GLY 16 114.587 6.583 29.407 112 HA2 GLY 16 HA2 GLY 16 112.368 6.009 30.117 113 HA3 GLY 16 HA1 GLY 16 111.716 6.749 28.654 114 H GLY 17 HN GLY 17 110.558 4.863 28.097 115 HA2 GLY 17 HA2 GLY 17 111.358 2.216 28.044 116 HA3 GLY 17 HA1 GLY 17 110.286 2.906 26.834 117 H ALA 18 HN ALA 18 112.848 4.729 26.283 118 HA ALA 18 HA ALA 18 113.633 3.611 23.874 119 HB1 ALA 18 HB1 ALA 18 115.697 4.905 25.645 120 HB2 ALA 18 HB2 ALA 18 114.359 5.850 24.992 121 HB3 ALA 18 HB3 ALA 18 115.491 5.055 23.900 122 H HIS 19 HN HIS 19 114.253 2.379 26.995 123 HA HIS 19 HA HIS 19 116.544 0.731 26.085 124 HB2 HIS 19 HB2 HIS 19 116.765 1.693 28.297 125 HB3 HIS 19 HB1 HIS 19 115.190 1.065 28.777 126 HD1 HIS 19 HD1 HIS 19 117.922 -0.833 26.932 127 HD2 HIS 19 HD2 HIS 19 115.972 -0.880 30.616 128 HE1 HIS 19 HE1 HIS 19 118.721 -2.911 28.140 129 H LYS 20 HN LYS 20 113.250 0.242 27.464 130 HA LYS 20 HA LYS 20 113.354 -2.619 27.035 131 HB2 LYS 20 HB2 LYS 20 111.057 -2.646 27.714 132 HB3 LYS 20 HB1 LYS 20 111.860 -1.424 28.693 133 HG2 LYS 20 HG2 LYS 20 110.114 -0.093 28.042 134 HG3 LYS 20 HG1 LYS 20 111.050 0.117 26.568 135 HD2 LYS 20 HD2 LYS 20 109.801 -2.051 25.775 136 HD3 LYS 20 HD1 LYS 20 108.674 -1.669 27.072 137 HE2 LYS 20 HE2 LYS 20 109.156 -0.231 24.504 138 HE3 LYS 20 HE1 LYS 20 107.660 -0.442 25.409 139 HZ1 LYS 20 HZ1 LYS 20 107.931 1.570 26.226 140 HZ2 LYS 20 HZ2 LYS 20 109.407 1.749 25.406 141 HZ3 LYS 20 HZ3 LYS 20 109.375 1.093 26.969 142 H VAL 21 HN VAL 21 112.867 0.040 24.951 143 HA VAL 21 HA VAL 21 111.099 -1.224 23.044 144 HB VAL 21 HB VAL 21 113.064 1.081 22.847 145 HG11 VAL 21 HG11 VAL 21 113.054 0.179 20.630 146 HG12 VAL 21 HG12 VAL 21 111.892 1.506 20.607 147 HG13 VAL 21 HG13 VAL 21 111.325 -0.162 20.700 148 HG21 VAL 21 HG21 VAL 21 110.884 1.310 24.114 149 HG22 VAL 21 HG22 VAL 21 110.046 1.005 22.594 150 HG23 VAL 21 HG23 VAL 21 111.069 2.431 22.766 151 H ARG 22 HN ARG 22 111.646 -3.114 22.184 152 HA ARG 22 HA ARG 22 114.462 -3.557 21.255 153 HB2 ARG 22 HB2 ARG 22 113.702 -5.096 23.025 154 HB3 ARG 22 HB1 ARG 22 112.299 -5.523 22.054 155 HG2 ARG 22 HG2 ARG 22 113.926 -7.273 21.740 156 HG3 ARG 22 HG1 ARG 22 113.903 -6.344 20.256 157 HD2 ARG 22 HD2 ARG 22 116.097 -5.794 20.487 158 HD3 ARG 22 HD1 ARG 22 115.852 -5.199 22.122 159 HE ARG 22 HE ARG 22 117.131 -7.639 21.398 160 HH11 ARG 22 HH21 ARG 22 114.644 -6.542 23.531 161 HH12 ARG 22 HH22 ARG 22 114.832 -7.867 24.629 162 HH21 ARG 22 HH11 ARG 22 117.384 -9.356 22.818 163 HH22 ARG 22 HH12 ARG 22 116.381 -9.457 24.227 164 H ALA 23 HN ALA 23 114.766 -4.064 19.118 165 HA ALA 23 HA ALA 23 112.443 -4.783 17.424 166 HB1 ALA 23 HB1 ALA 23 112.593 -2.280 17.397 167 HB2 ALA 23 HB2 ALA 23 112.883 -3.004 15.815 168 HB3 ALA 23 HB3 ALA 23 114.239 -2.422 16.780 169 H GLY 24 HN GLY 24 113.195 -6.604 16.475 170 HA2 GLY 24 HA2 GLY 24 115.777 -6.515 15.037 171 HA3 GLY 24 HA1 GLY 24 115.640 -7.725 16.317 172 H GLY 25 HN GLY 25 115.568 -7.622 13.139 173 HA2 GLY 25 HA2 GLY 25 114.112 -10.057 12.814 174 HA3 GLY 25 HA1 GLY 25 113.092 -8.714 12.296 175 H THR 26 HN THR 26 113.524 -10.196 10.240 176 HA THR 26 HA THR 26 116.087 -9.710 8.914 177 HB THR 26 HB THR 26 114.707 -11.764 8.543 178 HG1 THR 26 HG1 THR 26 116.060 -11.509 6.917 179 HG21 THR 26 HG21 THR 26 112.683 -11.679 7.285 180 HG22 THR 26 HG22 THR 26 112.928 -9.980 6.879 181 HG23 THR 26 HG23 THR 26 112.525 -10.443 8.533 182 H GLY 27 HN GLY 27 112.787 -8.444 8.719 183 HA2 GLY 27 HA2 GLY 27 113.158 -6.793 6.425 184 HA3 GLY 27 HA1 GLY 27 111.982 -6.487 7.707 185 H LEU 28 HN LEU 28 114.684 -6.784 9.386 186 HA LEU 28 HA LEU 28 115.227 -3.845 9.371 187 HB2 LEU 28 HB2 LEU 28 115.460 -6.052 11.390 188 HB3 LEU 28 HB1 LEU 28 116.584 -4.707 11.533 189 HG LEU 28 HG LEU 28 113.569 -4.399 11.374 190 HD11 LEU 28 HD11 LEU 28 113.928 -3.765 13.857 191 HD12 LEU 28 HD12 LEU 28 115.473 -4.601 13.712 192 HD13 LEU 28 HD13 LEU 28 113.967 -5.479 13.442 193 HD21 LEU 28 HD21 LEU 28 114.325 -2.285 10.784 194 HD22 LEU 28 HD22 LEU 28 115.883 -2.493 11.582 195 HD23 LEU 28 HD23 LEU 28 114.447 -2.117 12.531 196 H GLU 29 HN GLU 29 116.243 -5.921 7.426 197 HA GLU 29 HA GLU 29 119.143 -5.240 7.691 198 HB2 GLU 29 HB2 GLU 29 118.185 -7.944 6.731 199 HB3 GLU 29 HB1 GLU 29 119.823 -7.463 7.174 200 HG2 GLU 29 HG2 GLU 29 118.981 -7.075 9.523 201 HG3 GLU 29 HG1 GLU 29 117.449 -7.794 9.027 202 H ARG 30 HN ARG 30 116.447 -6.268 5.604 203 HA ARG 30 HA ARG 30 117.237 -4.465 3.514 204 HB2 ARG 30 HB2 ARG 30 117.780 -6.344 1.822 205 HB3 ARG 30 HB1 ARG 30 119.042 -5.893 2.968 206 HG2 ARG 30 HG2 ARG 30 118.432 -7.764 4.419 207 HG3 ARG 30 HG1 ARG 30 117.114 -8.207 3.340 208 HD2 ARG 30 HD2 ARG 30 119.029 -8.303 1.524 209 HD3 ARG 30 HD1 ARG 30 120.084 -8.484 2.923 210 HE ARG 30 HE ARG 30 118.497 -10.540 1.761 211 HH11 ARG 30 HH21 ARG 30 119.196 -9.199 4.868 212 HH12 ARG 30 HH22 ARG 30 118.603 -10.575 5.730 213 HH21 ARG 30 HH11 ARG 30 117.754 -12.338 2.875 214 HH22 ARG 30 HH12 ARG 30 117.799 -12.352 4.607 215 H GLY 31 HN GLY 31 115.937 -4.904 1.467 216 HA2 GLY 31 HA2 GLY 31 113.552 -6.615 1.835 217 HA3 GLY 31 HA1 GLY 31 113.269 -4.875 1.674 218 H VAL 32 HN VAL 32 112.159 -6.229 -0.355 219 HA VAL 32 HA VAL 32 114.065 -5.772 -2.614 220 HB VAL 32 HB VAL 32 112.325 -8.178 -2.127 221 HG11 VAL 32 HG11 VAL 32 111.914 -7.641 -4.427 222 HG12 VAL 32 HG12 VAL 32 113.143 -8.903 -4.432 223 HG13 VAL 32 HG13 VAL 32 113.602 -7.223 -4.696 224 HG21 VAL 32 HG21 VAL 32 114.493 -9.352 -2.590 225 HG22 VAL 32 HG22 VAL 32 114.529 -8.329 -1.155 226 HG23 VAL 32 HG23 VAL 32 115.276 -7.774 -2.651 227 H ALA 33 HN ALA 33 113.154 -5.130 -4.565 228 HA ALA 33 HA ALA 33 111.209 -3.216 -4.618 229 HB1 ALA 33 HB1 ALA 33 110.854 -4.583 -7.093 230 HB2 ALA 33 HB2 ALA 33 112.509 -4.895 -6.588 231 HB3 ALA 33 HB3 ALA 33 111.946 -3.238 -6.770 232 H GLY 34 HN GLY 34 109.192 -3.274 -3.818 233 HA2 GLY 34 HA2 GLY 34 106.978 -3.908 -3.451 234 HA3 GLY 34 HA1 GLY 34 107.072 -4.614 -5.058 235 H VAL 35 HN VAL 35 108.627 -5.492 -1.956 236 HA VAL 35 HA VAL 35 107.341 -8.171 -2.209 237 HB VAL 35 HB VAL 35 110.193 -7.476 -1.540 238 HG11 VAL 35 HG11 VAL 35 109.616 -9.019 0.193 239 HG12 VAL 35 HG12 VAL 35 110.401 -9.983 -1.057 240 HG13 VAL 35 HG13 VAL 35 108.644 -9.998 -0.906 241 HG21 VAL 35 HG21 VAL 35 110.612 -9.220 -3.281 242 HG22 VAL 35 HG22 VAL 35 109.657 -7.873 -3.900 243 HG23 VAL 35 HG23 VAL 35 108.871 -9.395 -3.487 244 HA PRO 36 HA PRO 36 105.878 -6.783 1.825 245 HB2 PRO 36 HB2 PRO 36 105.170 -9.494 2.605 246 HB3 PRO 36 HB1 PRO 36 104.087 -8.169 2.153 247 HG2 PRO 36 HG2 PRO 36 104.748 -10.506 0.589 248 HG3 PRO 36 HG1 PRO 36 103.681 -9.169 0.135 249 HD2 PRO 36 HD2 PRO 36 106.315 -9.746 -0.902 250 HD3 PRO 36 HD1 PRO 36 105.250 -8.389 -1.334 251 H ALA 37 HN ALA 37 107.091 -6.499 3.651 252 HA ALA 37 HA ALA 37 108.986 -8.676 4.479 253 HB1 ALA 37 HB1 ALA 37 109.620 -5.803 3.839 254 HB2 ALA 37 HB2 ALA 37 110.493 -7.259 3.367 255 HB3 ALA 37 HB3 ALA 37 110.588 -6.675 5.028 256 H GLU 38 HN GLU 38 109.659 -8.432 6.784 257 HA GLU 38 HA GLU 38 108.109 -6.523 8.400 258 HB2 GLU 38 HB2 GLU 38 106.819 -8.112 9.616 259 HB3 GLU 38 HB1 GLU 38 106.606 -8.554 7.921 260 HG2 GLU 38 HG2 GLU 38 108.637 -10.144 8.330 261 HG3 GLU 38 HG1 GLU 38 108.275 -9.906 10.044 262 H PHE 39 HN PHE 39 108.492 -6.934 10.762 263 HA PHE 39 HA PHE 39 110.895 -8.410 11.489 264 HB2 PHE 39 HB2 PHE 39 112.176 -6.499 12.297 265 HB3 PHE 39 HB1 PHE 39 111.861 -6.302 10.577 266 HD1 PHE 39 HD2 PHE 39 109.578 -5.025 10.028 267 HD2 PHE 39 HD1 PHE 39 111.780 -4.662 13.689 268 HE1 PHE 39 HE2 PHE 39 108.521 -2.822 10.439 269 HE2 PHE 39 HE1 PHE 39 110.734 -2.457 14.100 270 HZ PHE 39 HZ PHE 39 109.102 -1.535 12.476 271 H SER 40 HN SER 40 111.207 -8.179 13.901 272 HA SER 40 HA SER 40 108.525 -8.063 15.163 273 HB2 SER 40 HB2 SER 40 109.492 -9.360 16.944 274 HB3 SER 40 HB1 SER 40 110.026 -10.066 15.422 275 HG SER 40 HG SER 40 111.978 -9.691 16.075 276 H ILE 41 HN ILE 41 108.193 -6.993 17.177 277 HA ILE 41 HA ILE 41 110.210 -5.042 18.104 278 HB ILE 41 HB ILE 41 107.468 -4.293 17.043 279 HG12 ILE 41 HG12 ILE 41 110.213 -3.068 16.609 280 HG13 ILE 41 HG11 ILE 41 109.475 -4.237 15.520 281 HG21 ILE 41 HG21 ILE 41 107.528 -3.212 19.171 282 HG22 ILE 41 HG22 ILE 41 108.068 -1.986 18.029 283 HG23 ILE 41 HG23 ILE 41 109.245 -2.844 19.021 284 HD11 ILE 41 HD11 ILE 41 108.261 -2.627 14.523 285 HD12 ILE 41 HD12 ILE 41 109.149 -1.438 15.469 286 HD13 ILE 41 HD13 ILE 41 107.613 -2.065 16.062 287 H TRP 42 HN TRP 42 110.307 -6.106 20.086 288 HA TRP 42 HA TRP 42 107.821 -6.854 21.473 289 HB2 TRP 42 HB2 TRP 42 109.448 -8.446 21.916 290 HB3 TRP 42 HB1 TRP 42 110.751 -7.270 21.872 291 HD1 TRP 42 HD1 TRP 42 110.987 -5.663 24.086 292 HE1 TRP 42 HE1 TRP 42 110.467 -6.183 26.558 293 HE3 TRP 42 HE3 TRP 42 107.976 -9.748 23.513 294 HZ2 TRP 42 HZ2 TRP 42 108.972 -8.083 28.089 295 HZ3 TRP 42 HZ3 TRP 42 107.019 -10.892 25.492 296 HH2 TRP 42 HH2 TRP 42 107.513 -10.066 27.777 297 H THR 43 HN THR 43 107.071 -5.887 23.379 298 HA THR 43 HA THR 43 108.439 -3.513 24.461 299 HB THR 43 HB THR 43 107.265 -2.447 22.666 300 HG1 THR 43 HG1 THR 43 106.581 -1.061 24.054 301 HG21 THR 43 HG21 THR 43 105.808 -4.309 22.047 302 HG22 THR 43 HG22 THR 43 104.848 -2.847 22.269 303 HG23 THR 43 HG23 THR 43 104.865 -4.088 23.521 304 H ARG 44 HN ARG 44 105.409 -2.916 25.285 305 HA ARG 44 HA ARG 44 104.173 -3.312 27.235 306 HB2 ARG 44 HB2 ARG 44 103.753 -5.424 25.890 307 HB3 ARG 44 HB1 ARG 44 105.020 -6.192 26.849 308 HG2 ARG 44 HG2 ARG 44 103.793 -5.760 28.905 309 HG3 ARG 44 HG1 ARG 44 102.568 -4.848 28.021 310 HD2 ARG 44 HD2 ARG 44 101.645 -7.028 28.346 311 HD3 ARG 44 HD1 ARG 44 102.163 -6.971 26.661 312 HE ARG 44 HE ARG 44 104.363 -8.005 27.982 313 HH11 ARG 44 HH21 ARG 44 100.993 -8.718 27.821 314 HH12 ARG 44 HH22 ARG 44 101.207 -10.420 28.062 315 HH21 ARG 44 HH11 ARG 44 104.660 -10.225 28.298 316 HH22 ARG 44 HH12 ARG 44 103.281 -11.273 28.331 317 H GLU 45 HN GLU 45 106.019 -2.149 28.348 318 HA GLU 45 HA GLU 45 106.826 -3.678 30.671 319 HB2 GLU 45 HB2 GLU 45 108.544 -4.177 28.715 320 HB3 GLU 45 HB1 GLU 45 109.185 -2.592 29.141 321 HG2 GLU 45 HG2 GLU 45 109.366 -3.357 31.518 322 HG3 GLU 45 HG1 GLU 45 108.858 -4.965 31.000 323 H ALA 46 HN ALA 46 107.985 -0.798 28.837 324 HA ALA 46 HA ALA 46 108.415 0.825 31.118 325 HB1 ALA 46 HB1 ALA 46 107.826 1.408 28.229 326 HB2 ALA 46 HB2 ALA 46 109.286 1.754 29.156 327 HB3 ALA 46 HB3 ALA 46 107.844 2.738 29.389 328 H GLY 47 HN GLY 47 105.561 0.720 28.976 329 HA2 GLY 47 HA2 GLY 47 103.451 0.515 30.577 330 HA3 GLY 47 HA1 GLY 47 103.976 2.133 31.050 331 H ALA 48 HN ALA 48 101.565 2.255 30.042 332 HA ALA 48 HA ALA 48 101.147 2.194 27.258 333 HB1 ALA 48 HB1 ALA 48 99.359 2.603 28.936 334 HB2 ALA 48 HB2 ALA 48 99.339 3.806 27.646 335 HB3 ALA 48 HB3 ALA 48 100.019 4.214 29.221 336 H GLY 49 HN GLY 49 101.033 4.090 25.746 337 HA2 GLY 49 HA2 GLY 49 102.205 6.599 26.143 338 HA3 GLY 49 HA1 GLY 49 103.549 5.527 25.745 339 H GLY 50 HN GLY 50 103.896 6.615 23.710 340 HA2 GLY 50 HA2 GLY 50 101.889 5.855 21.614 341 HA3 GLY 50 HA1 GLY 50 102.576 7.479 21.649 342 H LEU 51 HN LEU 51 102.859 5.665 19.474 343 HA LEU 51 HA LEU 51 105.834 5.345 19.455 344 HB2 LEU 51 HB2 LEU 51 104.656 3.120 19.765 345 HB3 LEU 51 HB1 LEU 51 103.873 3.395 18.211 346 HG LEU 51 HG LEU 51 106.348 3.757 17.343 347 HD11 LEU 51 HD11 LEU 51 106.760 2.067 19.829 348 HD12 LEU 51 HD12 LEU 51 107.430 3.673 19.547 349 HD13 LEU 51 HD13 LEU 51 107.959 2.312 18.562 350 HD21 LEU 51 HD21 LEU 51 106.523 1.293 16.932 351 HD22 LEU 51 HD22 LEU 51 104.922 1.938 16.573 352 HD23 LEU 51 HD23 LEU 51 105.195 1.045 18.067 353 H SER 52 HN SER 52 106.233 7.100 18.143 354 HA SER 52 HA SER 52 104.589 7.630 15.775 355 HB2 SER 52 HB2 SER 52 107.220 8.936 16.446 356 HB3 SER 52 HB1 SER 52 105.881 9.597 15.513 357 HG SER 52 HG SER 52 105.466 10.461 17.416 358 H ILE 53 HN ILE 53 105.285 7.242 13.592 359 HA ILE 53 HA ILE 53 107.927 5.872 13.297 360 HB ILE 53 HB ILE 53 105.435 4.931 11.865 361 HG12 ILE 53 HG12 ILE 53 106.590 3.993 14.510 362 HG13 ILE 53 HG11 ILE 53 104.975 4.643 14.231 363 HG21 ILE 53 HG21 ILE 53 106.761 2.991 11.375 364 HG22 ILE 53 HG22 ILE 53 108.012 3.482 12.516 365 HG23 ILE 53 HG23 ILE 53 107.773 4.392 11.025 366 HD11 ILE 53 HD11 ILE 53 104.627 2.312 14.285 367 HD12 ILE 53 HD12 ILE 53 106.100 1.979 13.375 368 HD13 ILE 53 HD13 ILE 53 104.698 2.674 12.561 369 H ALA 54 HN ALA 54 108.907 7.525 12.153 370 HA ALA 54 HA ALA 54 107.464 8.738 9.847 371 HB1 ALA 54 HB1 ALA 54 108.716 10.147 11.576 372 HB2 ALA 54 HB2 ALA 54 109.137 10.446 9.890 373 HB3 ALA 54 HB3 ALA 54 110.202 9.475 10.906 374 H VAL 55 HN VAL 55 107.652 7.419 8.103 375 HA VAL 55 HA VAL 55 110.233 6.051 7.553 376 HB VAL 55 HB VAL 55 108.680 5.138 5.589 377 HG11 VAL 55 HG11 VAL 55 109.592 3.826 7.537 378 HG12 VAL 55 HG12 VAL 55 107.995 3.300 7.010 379 HG13 VAL 55 HG13 VAL 55 108.161 4.296 8.455 380 HG21 VAL 55 HG21 VAL 55 106.353 5.226 6.001 381 HG22 VAL 55 HG22 VAL 55 106.896 6.872 6.324 382 HG23 VAL 55 HG23 VAL 55 106.576 5.771 7.663 383 H GLU 56 HN GLU 56 111.413 6.471 5.686 384 HA GLU 56 HA GLU 56 110.410 8.532 3.801 385 HB2 GLU 56 HB2 GLU 56 111.640 10.026 5.090 386 HB3 GLU 56 HB1 GLU 56 112.780 8.803 5.624 387 HG2 GLU 56 HG2 GLU 56 113.985 8.881 3.568 388 HG3 GLU 56 HG1 GLU 56 112.677 9.717 2.752 389 H GLY 57 HN GLY 57 111.166 8.198 1.706 390 HA2 GLY 57 HA2 GLY 57 113.406 6.750 0.861 391 HA3 GLY 57 HA1 GLY 57 112.143 5.547 1.110 392 HA PRO 58 HA PRO 58 111.913 7.597 -3.175 393 HB2 PRO 58 HB2 PRO 58 111.746 4.892 -4.250 394 HB3 PRO 58 HB1 PRO 58 112.951 6.145 -4.544 395 HG2 PRO 58 HG2 PRO 58 113.280 3.761 -2.967 396 HG3 PRO 58 HG1 PRO 58 114.469 5.046 -3.225 397 HD2 PRO 58 HD2 PRO 58 112.969 4.486 -0.808 398 HD3 PRO 58 HD1 PRO 58 114.174 5.762 -1.073 399 H SER 59 HN SER 59 110.186 5.305 -1.309 400 HA SER 59 HA SER 59 107.651 6.248 -2.523 401 HB2 SER 59 HB2 SER 59 106.934 4.233 -3.381 402 HB3 SER 59 HB1 SER 59 108.667 3.974 -3.559 403 HG SER 59 HG SER 59 108.575 2.504 -2.060 404 H LYS 60 HN LYS 60 105.765 5.659 -1.212 405 HA LYS 60 HA LYS 60 106.390 5.776 1.638 406 HB2 LYS 60 HB2 LYS 60 103.644 5.384 0.434 407 HB3 LYS 60 HB1 LYS 60 104.069 6.174 1.953 408 HG2 LYS 60 HG2 LYS 60 105.281 7.930 0.634 409 HG3 LYS 60 HG1 LYS 60 104.672 7.179 -0.842 410 HD2 LYS 60 HD2 LYS 60 102.341 7.485 0.032 411 HD3 LYS 60 HD1 LYS 60 103.015 8.380 1.394 412 HE2 LYS 60 HE2 LYS 60 103.871 10.097 -0.040 413 HE3 LYS 60 HE1 LYS 60 103.549 9.139 -1.486 414 HZ1 LYS 60 HZ1 LYS 60 101.131 9.203 -0.643 415 HZ2 LYS 60 HZ2 LYS 60 101.766 10.574 -1.419 416 HZ3 LYS 60 HZ3 LYS 60 101.644 10.534 0.275 417 H ALA 61 HN ALA 61 107.039 3.880 2.581 418 HA ALA 61 HA ALA 61 106.133 1.289 1.636 419 HB1 ALA 61 HB1 ALA 61 107.563 2.048 4.202 420 HB2 ALA 61 HB2 ALA 61 108.343 1.572 2.694 421 HB3 ALA 61 HB3 ALA 61 107.367 0.407 3.588 422 H GLU 62 HN GLU 62 104.684 -0.136 2.703 423 HA GLU 62 HA GLU 62 102.573 1.221 4.246 424 HB2 GLU 62 HB2 GLU 62 102.394 -0.654 2.350 425 HB3 GLU 62 HB1 GLU 62 102.567 -1.745 3.720 426 HG2 GLU 62 HG2 GLU 62 100.210 -1.394 3.392 427 HG3 GLU 62 HG1 GLU 62 100.662 -0.480 4.829 428 H ILE 63 HN ILE 63 101.718 -0.123 6.225 429 HA ILE 63 HA ILE 63 103.906 -1.416 7.769 430 HB ILE 63 HB ILE 63 102.277 0.975 8.716 431 HG12 ILE 63 HG12 ILE 63 104.722 1.758 9.224 432 HG13 ILE 63 HG11 ILE 63 105.205 0.492 8.102 433 HG21 ILE 63 HG21 ILE 63 102.368 -0.538 10.554 434 HG22 ILE 63 HG22 ILE 63 103.674 0.616 10.829 435 HG23 ILE 63 HG23 ILE 63 104.034 -0.988 10.193 436 HD11 ILE 63 HD11 ILE 63 103.108 1.981 6.832 437 HD12 ILE 63 HD12 ILE 63 104.811 1.902 6.393 438 HD13 ILE 63 HD13 ILE 63 104.252 3.134 7.516 439 H ALA 64 HN ALA 64 103.068 -2.988 9.282 440 HA ALA 64 HA ALA 64 100.133 -3.080 9.645 441 HB1 ALA 64 HB1 ALA 64 100.231 -5.583 8.934 442 HB2 ALA 64 HB2 ALA 64 101.700 -5.118 8.077 443 HB3 ALA 64 HB3 ALA 64 100.166 -4.355 7.670 444 H PHE 65 HN PHE 65 99.971 -3.333 11.815 445 HA PHE 65 HA PHE 65 102.090 -4.730 13.319 446 HB2 PHE 65 HB2 PHE 65 100.839 -4.006 15.304 447 HB3 PHE 65 HB1 PHE 65 101.079 -2.645 14.207 448 HD1 PHE 65 HD2 PHE 65 98.633 -5.051 15.554 449 HD2 PHE 65 HD1 PHE 65 99.227 -1.694 12.941 450 HE1 PHE 65 HE2 PHE 65 96.179 -4.723 15.419 451 HE2 PHE 65 HE1 PHE 65 96.772 -1.366 12.806 452 HZ PHE 65 HZ PHE 65 95.248 -2.880 14.045 453 H GLU 66 HN GLU 66 101.862 -6.754 14.249 454 HA GLU 66 HA GLU 66 99.197 -8.093 14.129 455 HB2 GLU 66 HB2 GLU 66 100.336 -8.787 12.079 456 HB3 GLU 66 HB1 GLU 66 101.774 -9.230 12.999 457 HG2 GLU 66 HG2 GLU 66 100.607 -11.013 14.128 458 HG3 GLU 66 HG1 GLU 66 99.052 -10.464 13.495 459 H ASP 67 HN ASP 67 98.929 -8.408 16.310 460 HA ASP 67 HA ASP 67 101.187 -9.133 18.029 461 HB2 ASP 67 HB2 ASP 67 99.306 -9.455 19.741 462 HB3 ASP 67 HB1 ASP 67 99.480 -7.827 19.083 463 H ARG 68 HN ARG 68 101.740 -11.068 16.681 464 HA ARG 68 HA ARG 68 100.196 -13.452 17.595 465 HB2 ARG 68 HB2 ARG 68 99.592 -12.806 15.214 466 HB3 ARG 68 HB1 ARG 68 101.263 -13.170 14.780 467 HG2 ARG 68 HG2 ARG 68 100.931 -15.460 15.781 468 HG3 ARG 68 HG1 ARG 68 99.223 -15.075 15.962 469 HD2 ARG 68 HD2 ARG 68 99.208 -14.535 13.479 470 HD3 ARG 68 HD1 ARG 68 100.811 -15.255 13.384 471 HE ARG 68 HE ARG 68 98.300 -16.654 13.425 472 HH11 ARG 68 HH21 ARG 68 101.464 -16.807 14.808 473 HH12 ARG 68 HH22 ARG 68 101.305 -18.463 15.284 474 HH21 ARG 68 HH11 ARG 68 98.100 -18.804 14.024 475 HH22 ARG 68 HH12 ARG 68 99.412 -19.593 14.834 476 H LYS 69 HN LYS 69 102.325 -12.913 19.004 477 HA LYS 69 HA LYS 69 104.346 -14.877 18.098 478 HB2 LYS 69 HB2 LYS 69 105.052 -12.101 19.095 479 HB3 LYS 69 HB1 LYS 69 106.170 -13.370 18.609 480 HG2 LYS 69 HG2 LYS 69 105.052 -13.335 16.324 481 HG3 LYS 69 HG1 LYS 69 104.233 -11.863 16.847 482 HD2 LYS 69 HD2 LYS 69 106.319 -10.702 17.125 483 HD3 LYS 69 HD1 LYS 69 107.244 -12.188 16.910 484 HE2 LYS 69 HE2 LYS 69 106.957 -10.525 14.883 485 HE3 LYS 69 HE1 LYS 69 106.846 -12.265 14.611 486 HZ1 LYS 69 HZ1 LYS 69 104.448 -10.675 15.265 487 HZ2 LYS 69 HZ2 LYS 69 104.547 -12.185 14.493 488 HZ3 LYS 69 HZ3 LYS 69 105.015 -10.774 13.670 489 H ASP 70 HN ASP 70 102.242 -13.854 20.355 490 HA ASP 70 HA ASP 70 101.898 -14.591 22.551 491 HB2 ASP 70 HB2 ASP 70 103.566 -16.496 21.691 492 HB3 ASP 70 HB1 ASP 70 104.686 -15.696 22.789 493 H GLY 71 HN GLY 71 103.952 -12.271 21.491 494 HA2 GLY 71 HA2 GLY 71 103.904 -10.725 23.800 495 HA3 GLY 71 HA1 GLY 71 105.369 -11.686 23.960 496 H SER 72 HN SER 72 105.713 -11.615 20.924 497 HA SER 72 HA SER 72 107.055 -8.960 20.884 498 HB2 SER 72 HB2 SER 72 107.294 -11.413 19.139 499 HB3 SER 72 HB1 SER 72 108.082 -9.890 18.750 500 HG SER 72 HG SER 72 108.753 -10.167 21.152 501 H CYS 73 HN CYS 73 106.399 -7.308 19.566 502 HA CYS 73 HA CYS 73 103.843 -7.638 18.139 503 HB2 CYS 73 HB2 CYS 73 104.624 -5.573 19.529 504 HB3 CYS 73 HB1 CYS 73 105.535 -5.138 18.082 505 HG CYS 73 HG CYS 73 103.426 -4.445 16.983 506 H GLY 74 HN GLY 74 103.716 -8.117 15.999 507 HA2 GLY 74 HA2 GLY 74 106.219 -8.055 14.384 508 HA3 GLY 74 HA1 GLY 74 104.755 -8.936 13.974 509 H VAL 75 HN VAL 75 106.524 -6.151 13.387 510 HA VAL 75 HA VAL 75 104.174 -4.653 12.279 511 HB VAL 75 HB VAL 75 107.068 -3.771 12.507 512 HG11 VAL 75 HG11 VAL 75 106.166 -1.552 12.101 513 HG12 VAL 75 HG12 VAL 75 104.517 -2.175 12.134 514 HG13 VAL 75 HG13 VAL 75 105.601 -2.617 10.815 515 HG21 VAL 75 HG21 VAL 75 105.969 -2.340 14.413 516 HG22 VAL 75 HG22 VAL 75 106.390 -4.018 14.755 517 HG23 VAL 75 HG23 VAL 75 104.718 -3.583 14.401 518 H SER 76 HN SER 76 103.696 -5.634 10.371 519 HA SER 76 HA SER 76 105.847 -6.368 8.496 520 HB2 SER 76 HB2 SER 76 103.488 -6.856 7.158 521 HB3 SER 76 HB1 SER 76 104.284 -8.020 8.211 522 HG SER 76 HG SER 76 102.415 -7.889 9.199 523 H TYR 77 HN TYR 77 106.539 -5.047 6.932 524 HA TYR 77 HA TYR 77 104.769 -2.770 6.085 525 HB2 TYR 77 HB2 TYR 77 106.789 -1.406 5.810 526 HB3 TYR 77 HB1 TYR 77 106.726 -2.014 7.461 527 HD1 TYR 77 HD1 TYR 77 108.348 -2.351 4.160 528 HD2 TYR 77 HD2 TYR 77 108.329 -3.640 8.255 529 HE1 TYR 77 HE1 TYR 77 110.581 -3.382 3.845 530 HE2 TYR 77 HE2 TYR 77 110.558 -4.670 7.940 531 HH TYR 77 HH TYR 77 112.578 -3.971 5.479 532 H VAL 78 HN VAL 78 105.629 -1.923 3.856 533 HA VAL 78 HA VAL 78 106.647 -4.171 2.168 534 HB VAL 78 HB VAL 78 104.194 -2.573 1.429 535 HG11 VAL 78 HG11 VAL 78 105.348 -3.472 -0.486 536 HG12 VAL 78 HG12 VAL 78 103.936 -4.488 -0.195 537 HG13 VAL 78 HG13 VAL 78 105.535 -5.039 0.300 538 HG21 VAL 78 HG21 VAL 78 103.481 -3.855 3.297 539 HG22 VAL 78 HG22 VAL 78 104.462 -5.237 2.822 540 HG23 VAL 78 HG23 VAL 78 103.024 -4.819 1.894 541 H VAL 79 HN VAL 79 108.292 -3.372 1.006 542 HA VAL 79 HA VAL 79 108.520 -0.454 0.551 543 HB VAL 79 HB VAL 79 110.772 -1.175 -0.424 544 HG11 VAL 79 HG11 VAL 79 111.511 -2.008 2.016 545 HG12 VAL 79 HG12 VAL 79 109.865 -1.549 2.430 546 HG13 VAL 79 HG13 VAL 79 110.969 -0.351 1.757 547 HG21 VAL 79 HG21 VAL 79 110.129 -3.815 0.917 548 HG22 VAL 79 HG22 VAL 79 111.482 -3.432 -0.147 549 HG23 VAL 79 HG23 VAL 79 109.854 -3.566 -0.808 550 H GLN 80 HN GLN 80 108.866 0.397 -1.622 551 HA GLN 80 HA GLN 80 107.414 -1.194 -3.681 552 HB2 GLN 80 HB2 GLN 80 106.761 1.202 -2.999 553 HB3 GLN 80 HB1 GLN 80 108.190 1.713 -3.897 554 HG2 GLN 80 HG2 GLN 80 107.266 0.352 -5.857 555 HG3 GLN 80 HG1 GLN 80 105.761 0.248 -4.945 556 HE21 GLN 80 HE21 GLN 80 104.311 1.887 -5.450 557 HE22 GLN 80 HE22 GLN 80 104.737 3.439 -5.988 558 H GLU 81 HN GLU 81 110.456 0.748 -3.357 559 HA GLU 81 HA GLU 81 111.644 -1.043 -5.373 560 HB2 GLU 81 HB2 GLU 81 111.369 1.937 -5.798 561 HB3 GLU 81 HB1 GLU 81 112.474 0.935 -6.728 562 HG2 GLU 81 HG2 GLU 81 109.458 0.628 -6.613 563 HG3 GLU 81 HG1 GLU 81 110.387 1.266 -7.959 564 HA PRO 82 HA PRO 82 115.469 -0.835 -3.161 565 HB2 PRO 82 HB2 PRO 82 116.605 0.092 -5.764 566 HB3 PRO 82 HB1 PRO 82 117.213 -1.150 -4.648 567 HG2 PRO 82 HG2 PRO 82 115.819 -1.819 -6.903 568 HG3 PRO 82 HG1 PRO 82 115.735 -2.736 -5.409 569 HD2 PRO 82 HD2 PRO 82 113.631 -1.078 -6.606 570 HD3 PRO 82 HD1 PRO 82 113.514 -2.320 -5.351 571 H GLY 83 HN GLY 83 117.109 0.600 -2.470 572 HA2 GLY 83 HA2 GLY 83 117.864 3.106 -2.930 573 HA3 GLY 83 HA1 GLY 83 116.198 3.438 -2.444 574 H ASP 84 HN ASP 84 117.294 4.634 -0.646 575 HA ASP 84 HA ASP 84 118.193 2.804 1.558 576 HB2 ASP 84 HB2 ASP 84 118.619 5.790 1.559 577 HB3 ASP 84 HB1 ASP 84 119.537 4.536 2.393 578 H TYR 85 HN TYR 85 116.117 2.322 2.363 579 HA TYR 85 HA TYR 85 114.198 4.461 2.885 580 HB2 TYR 85 HB2 TYR 85 114.290 1.506 3.094 581 HB3 TYR 85 HB1 TYR 85 113.288 2.277 4.320 582 HD1 TYR 85 HD1 TYR 85 113.766 1.668 0.722 583 HD2 TYR 85 HD2 TYR 85 111.280 3.519 3.694 584 HE1 TYR 85 HE1 TYR 85 111.976 1.966 -0.964 585 HE2 TYR 85 HE2 TYR 85 109.487 3.818 2.008 586 HH TYR 85 HH TYR 85 109.772 2.446 -1.230 587 H GLU 86 HN GLU 86 113.695 5.302 4.925 588 HA GLU 86 HA GLU 86 115.514 4.577 7.174 589 HB2 GLU 86 HB2 GLU 86 115.210 7.300 7.527 590 HB3 GLU 86 HB1 GLU 86 116.608 6.558 6.756 591 HG2 GLU 86 HG2 GLU 86 114.197 7.135 5.055 592 HG3 GLU 86 HG1 GLU 86 115.221 8.485 5.519 593 H VAL 87 HN VAL 87 114.420 4.280 9.047 594 HA VAL 87 HA VAL 87 111.653 5.416 9.296 595 HB VAL 87 HB VAL 87 111.793 2.931 8.847 596 HG11 VAL 87 HG11 VAL 87 112.845 2.777 11.676 597 HG12 VAL 87 HG12 VAL 87 113.896 2.680 10.264 598 HG13 VAL 87 HG13 VAL 87 112.648 1.461 10.518 599 HG21 VAL 87 HG21 VAL 87 109.880 4.038 10.021 600 HG22 VAL 87 HG22 VAL 87 110.684 3.720 11.558 601 HG23 VAL 87 HG23 VAL 87 110.137 2.377 10.554 602 H SER 88 HN SER 88 111.079 6.168 11.363 603 HA SER 88 HA SER 88 113.233 6.165 13.456 604 HB2 SER 88 HB2 SER 88 112.835 8.466 13.931 605 HB3 SER 88 HB1 SER 88 112.961 8.378 12.177 606 HG SER 88 HG SER 88 110.543 8.034 12.372 607 H ILE 89 HN ILE 89 112.329 4.709 14.832 608 HA ILE 89 HA ILE 89 109.466 5.044 15.598 609 HB ILE 89 HB ILE 89 109.475 2.787 16.205 610 HG12 ILE 89 HG12 ILE 89 112.460 3.125 16.549 611 HG13 ILE 89 HG11 ILE 89 111.278 2.695 17.777 612 HG21 ILE 89 HG21 ILE 89 111.658 2.810 14.113 613 HG22 ILE 89 HG22 ILE 89 109.987 3.232 13.746 614 HG23 ILE 89 HG23 ILE 89 110.378 1.615 14.326 615 HD11 ILE 89 HD11 ILE 89 112.358 0.647 17.248 616 HD12 ILE 89 HD12 ILE 89 112.318 0.980 15.517 617 HD13 ILE 89 HD13 ILE 89 110.827 0.585 16.373 618 H LYS 90 HN LYS 90 108.963 5.870 17.583 619 HA LYS 90 HA LYS 90 111.032 5.863 19.731 620 HB2 LYS 90 HB2 LYS 90 110.561 8.172 20.246 621 HB3 LYS 90 HB1 LYS 90 111.061 8.084 18.575 622 HG2 LYS 90 HG2 LYS 90 108.383 7.797 18.231 623 HG3 LYS 90 HG1 LYS 90 108.368 8.716 19.731 624 HD2 LYS 90 HD2 LYS 90 108.309 10.326 17.951 625 HD3 LYS 90 HD1 LYS 90 109.940 10.372 18.612 626 HE2 LYS 90 HE2 LYS 90 109.712 8.373 16.474 627 HE3 LYS 90 HE1 LYS 90 109.303 9.994 15.913 628 HZ1 LYS 90 HZ1 LYS 90 111.778 9.205 17.348 629 HZ2 LYS 90 HZ2 LYS 90 111.372 10.797 16.914 630 HZ3 LYS 90 HZ3 LYS 90 111.652 9.631 15.711 631 H PHE 91 HN PHE 91 110.115 5.045 21.583 632 HA PHE 91 HA PHE 91 107.175 4.761 21.682 633 HB2 PHE 91 HB2 PHE 91 108.814 2.991 22.501 634 HB3 PHE 91 HB1 PHE 91 109.158 4.057 23.860 635 HD1 PHE 91 HD1 PHE 91 106.188 2.684 22.012 636 HD2 PHE 91 HD2 PHE 91 107.896 3.742 25.811 637 HE1 PHE 91 HE1 PHE 91 104.153 1.866 23.155 638 HE2 PHE 91 HE2 PHE 91 105.856 2.916 26.954 639 HZ PHE 91 HZ PHE 91 103.983 1.978 25.625 640 H ASN 92 HN ASN 92 106.359 6.848 21.930 641 HA ASN 92 HA ASN 92 105.648 8.706 23.167 642 HB2 ASN 92 HB2 ASN 92 105.897 6.884 25.103 643 HB3 ASN 92 HB1 ASN 92 107.288 7.866 25.557 644 HD21 ASN 92 HD21 ASN 92 103.781 8.219 24.785 645 HD22 ASN 92 HD22 ASN 92 103.530 9.518 25.848 646 H ASP 93 HN ASP 93 107.921 8.717 21.496 647 HA ASP 93 HA ASP 93 109.501 10.356 20.900 648 HB2 ASP 93 HB2 ASP 93 109.652 11.412 23.713 649 HB3 ASP 93 HB1 ASP 93 109.953 12.226 22.183 650 H GLU 94 HN GLU 94 109.829 7.727 22.578 651 HA GLU 94 HA GLU 94 112.594 8.144 23.556 652 HB2 GLU 94 HB2 GLU 94 110.616 5.869 23.622 653 HB3 GLU 94 HB1 GLU 94 112.320 5.530 23.876 654 HG2 GLU 94 HG2 GLU 94 112.303 6.408 25.985 655 HG3 GLU 94 HG1 GLU 94 111.389 7.823 25.489 656 H HIS 95 HN HIS 95 113.088 8.812 21.243 657 HA HIS 95 HA HIS 95 113.074 6.888 19.114 658 HB2 HIS 95 HB2 HIS 95 114.818 8.472 18.121 659 HB3 HIS 95 HB1 HIS 95 113.263 9.199 18.528 660 HD1 HIS 95 HD1 HIS 95 116.848 9.045 19.651 661 HD2 HIS 95 HD2 HIS 95 113.328 11.004 20.725 662 HE1 HIS 95 HE1 HIS 95 117.506 10.846 21.306 663 H ILE 96 HN ILE 96 114.216 5.024 19.192 664 HA ILE 96 HA ILE 96 116.448 4.571 20.915 665 HB ILE 96 HB ILE 96 116.840 2.618 19.138 666 HG12 ILE 96 HG12 ILE 96 113.986 3.394 18.504 667 HG13 ILE 96 HG11 ILE 96 115.339 3.886 17.485 668 HG21 ILE 96 HG21 ILE 96 114.277 2.781 20.752 669 HG22 ILE 96 HG22 ILE 96 115.855 2.363 21.419 670 HG23 ILE 96 HG23 ILE 96 115.093 1.309 20.229 671 HD11 ILE 96 HD11 ILE 96 115.995 1.481 17.276 672 HD12 ILE 96 HD12 ILE 96 114.399 1.816 16.607 673 HD13 ILE 96 HD13 ILE 96 114.548 1.044 18.184 674 HA PRO 97 HA PRO 97 119.838 6.509 18.857 675 HB2 PRO 97 HB2 PRO 97 121.517 4.116 18.746 676 HB3 PRO 97 HB1 PRO 97 121.694 5.539 19.783 677 HG2 PRO 97 HG2 PRO 97 120.727 2.917 20.540 678 HG3 PRO 97 HG1 PRO 97 120.909 4.342 21.574 679 HD2 PRO 97 HD2 PRO 97 118.447 3.177 20.682 680 HD3 PRO 97 HD1 PRO 97 118.646 4.695 21.577 681 H ASP 98 HN ASP 98 119.153 3.195 17.690 682 HA ASP 98 HA ASP 98 120.195 3.399 15.089 683 HB2 ASP 98 HB2 ASP 98 117.560 2.074 15.628 684 HB3 ASP 98 HB1 ASP 98 118.842 1.599 14.506 685 H SER 99 HN SER 99 116.932 4.351 16.174 686 HA SER 99 HA SER 99 116.032 5.244 13.673 687 HB2 SER 99 HB2 SER 99 114.364 5.268 15.311 688 HB3 SER 99 HB1 SER 99 115.414 6.035 16.497 689 HG SER 99 HG SER 99 115.232 7.957 15.363 690 HA PRO 100 HA PRO 100 115.612 6.700 12.061 691 HB2 PRO 100 HB2 PRO 100 117.286 7.529 9.926 692 HB3 PRO 100 HB1 PRO 100 115.908 8.419 10.587 693 HG2 PRO 100 HG2 PRO 100 118.762 9.019 10.871 694 HG3 PRO 100 HG1 PRO 100 117.373 10.020 11.321 695 HD2 PRO 100 HD2 PRO 100 119.100 8.526 13.087 696 HD3 PRO 100 HD1 PRO 100 117.678 9.490 13.529 697 H PHE 101 HN PHE 101 115.750 4.489 11.781 698 HA PHE 101 HA PHE 101 118.246 3.025 11.538 699 HB2 PHE 101 HB2 PHE 101 115.465 2.453 11.986 700 HB3 PHE 101 HB1 PHE 101 115.923 1.545 10.558 701 HD1 PHE 101 HD2 PHE 101 118.344 0.336 10.805 702 HD2 PHE 101 HD1 PHE 101 115.718 1.395 14.035 703 HE1 PHE 101 HE2 PHE 101 119.397 -1.400 12.228 704 HE2 PHE 101 HE1 PHE 101 116.774 -0.339 15.457 705 HZ PHE 101 HZ PHE 101 118.604 -1.745 14.553 706 H VAL 102 HN VAL 102 118.499 1.548 9.491 707 HA VAL 102 HA VAL 102 117.698 3.023 7.002 708 HB VAL 102 HB VAL 102 120.113 3.307 7.715 709 HG11 VAL 102 HG11 VAL 102 121.625 1.475 7.617 710 HG12 VAL 102 HG12 VAL 102 120.419 0.424 6.877 711 HG13 VAL 102 HG13 VAL 102 120.254 0.900 8.566 712 HG21 VAL 102 HG21 VAL 102 119.567 3.671 5.405 713 HG22 VAL 102 HG22 VAL 102 119.415 1.940 5.105 714 HG23 VAL 102 HG23 VAL 102 121.001 2.645 5.415 715 H VAL 103 HN VAL 103 116.782 1.728 5.461 716 HA VAL 103 HA VAL 103 117.018 -1.255 5.760 717 HB VAL 103 HB VAL 103 114.549 0.360 5.080 718 HG11 VAL 103 HG11 VAL 103 115.140 -2.606 5.097 719 HG12 VAL 103 HG12 VAL 103 114.415 -1.648 3.806 720 HG13 VAL 103 HG13 VAL 103 113.498 -1.987 5.272 721 HG21 VAL 103 HG21 VAL 103 113.691 -0.528 7.193 722 HG22 VAL 103 HG22 VAL 103 115.197 0.342 7.485 723 HG23 VAL 103 HG23 VAL 103 115.190 -1.422 7.450 724 HA PRO 104 HA PRO 104 118.250 0.115 1.499 725 HB2 PRO 104 HB2 PRO 104 120.071 -2.142 1.399 726 HB3 PRO 104 HB1 PRO 104 120.474 -0.421 1.467 727 HG2 PRO 104 HG2 PRO 104 120.804 -2.349 3.569 728 HG3 PRO 104 HG1 PRO 104 121.087 -0.605 3.667 729 HD2 PRO 104 HD2 PRO 104 118.870 -2.151 4.785 730 HD3 PRO 104 HD1 PRO 104 119.261 -0.439 5.050 731 H VAL 105 HN VAL 105 116.656 -0.527 0.116 732 HA VAL 105 HA VAL 105 115.743 -3.356 0.099 733 HB VAL 105 HB VAL 105 114.670 -0.799 -1.120 734 HG11 VAL 105 HG11 VAL 105 114.205 -2.704 -2.664 735 HG12 VAL 105 HG12 VAL 105 112.738 -2.128 -1.882 736 HG13 VAL 105 HG13 VAL 105 113.516 -3.599 -1.314 737 HG21 VAL 105 HG21 VAL 105 112.927 -1.034 0.472 738 HG22 VAL 105 HG22 VAL 105 114.432 -1.294 1.350 739 HG23 VAL 105 HG23 VAL 105 113.433 -2.671 0.887 740 H ALA 106 HN ALA 106 115.921 -4.660 -1.792 741 HA ALA 106 HA ALA 106 117.665 -3.582 -3.995 742 HB1 ALA 106 HB1 ALA 106 117.947 -6.421 -3.093 743 HB2 ALA 106 HB2 ALA 106 118.649 -5.156 -2.089 744 HB3 ALA 106 HB3 ALA 106 119.157 -5.329 -3.763 745 H SER 107 HN SER 107 116.904 -3.995 -6.004 746 HA SER 107 HA SER 107 114.617 -5.872 -6.349 747 HB2 SER 107 HB2 SER 107 114.351 -4.766 -8.554 748 HB3 SER 107 HB1 SER 107 114.316 -3.588 -7.249 749 HG SER 107 HG SER 107 116.111 -3.923 -9.287 750 H LEU 108 HN LEU 108 115.603 -7.833 -6.495 751 HA LEU 108 HA LEU 108 116.899 -9.580 -7.389 752 HB2 LEU 108 HB2 LEU 108 116.411 -7.786 -9.773 753 HB3 LEU 108 HB1 LEU 108 117.430 -9.216 -9.929 754 HG LEU 108 HG LEU 108 115.619 -10.652 -9.178 755 HD11 LEU 108 HD11 LEU 108 114.523 -9.298 -7.541 756 HD12 LEU 108 HD12 LEU 108 113.336 -9.561 -8.819 757 HD13 LEU 108 HD13 LEU 108 114.193 -8.024 -8.715 758 HD21 LEU 108 HD21 LEU 108 115.587 -10.188 -11.547 759 HD22 LEU 108 HD22 LEU 108 114.803 -8.630 -11.285 760 HD23 LEU 108 HD23 LEU 108 113.918 -10.125 -10.981 761 H SER 109 HN SER 109 118.053 -6.747 -6.534 762 HA SER 109 HA SER 109 120.806 -7.078 -7.630 763 HB2 SER 109 HB2 SER 109 119.608 -4.830 -7.659 764 HB3 SER 109 HB1 SER 109 119.809 -4.820 -5.912 765 HG SER 109 HG SER 109 122.111 -5.303 -6.461 766 H ASP 110 HN ASP 110 118.913 -7.281 -4.684 767 HA ASP 110 HA ASP 110 119.547 -7.995 -2.524 768 HB2 ASP 110 HB2 ASP 110 120.307 -9.959 -4.012 769 HB3 ASP 110 HB1 ASP 110 121.929 -9.278 -3.883 770 H ASP 111 HN ASP 111 120.945 -5.688 -4.148 771 HA ASP 111 HA ASP 111 122.506 -4.706 -1.924 772 HB2 ASP 111 HB2 ASP 111 124.661 -4.570 -3.251 773 HB3 ASP 111 HB1 ASP 111 124.212 -6.198 -2.741 774 H ALA 112 HN ALA 112 121.478 -4.453 -5.328 775 HA ALA 112 HA ALA 112 121.166 -2.501 -6.647 776 HB1 ALA 112 HB1 ALA 112 119.473 -2.214 -4.778 777 HB2 ALA 112 HB2 ALA 112 120.005 -0.710 -5.531 778 HB3 ALA 112 HB3 ALA 112 120.656 -1.190 -3.964 779 H ARG 113 HN ARG 113 123.581 -2.570 -6.985 780 HA ARG 113 HA ARG 113 125.198 -0.711 -5.402 781 HB2 ARG 113 HB2 ARG 113 125.813 -2.969 -6.772 782 HB3 ARG 113 HB1 ARG 113 126.211 -1.784 -8.010 783 HG2 ARG 113 HG2 ARG 113 128.237 -1.959 -6.863 784 HG3 ARG 113 HG1 ARG 113 127.506 -0.577 -6.054 785 HD2 ARG 113 HD2 ARG 113 126.514 -2.372 -4.427 786 HD3 ARG 113 HD1 ARG 113 127.775 -3.419 -5.069 787 HE ARG 113 HE ARG 113 128.122 -1.383 -3.095 788 HH11 ARG 113 HH21 ARG 113 129.595 -2.538 -5.997 789 HH12 ARG 113 HH22 ARG 113 131.097 -1.733 -5.699 790 HH21 ARG 113 HH11 ARG 113 130.076 -0.358 -2.692 791 HH22 ARG 113 HH12 ARG 113 131.373 -0.510 -3.830 792 H ARG 114 HN ARG 114 126.125 1.220 -6.179 793 HA ARG 114 HA ARG 114 124.467 2.797 -7.981 794 HB2 ARG 114 HB2 ARG 114 125.757 3.673 -5.988 795 HB3 ARG 114 HB1 ARG 114 127.233 3.380 -6.910 796 HG2 ARG 114 HG2 ARG 114 126.781 5.088 -8.448 797 HG3 ARG 114 HG1 ARG 114 125.045 5.044 -8.145 798 HD2 ARG 114 HD2 ARG 114 126.236 7.065 -7.196 799 HD3 ARG 114 HD1 ARG 114 125.311 6.135 -6.017 800 HE ARG 114 HE ARG 114 127.847 5.040 -5.863 801 HH11 ARG 114 HH21 ARG 114 126.485 8.204 -5.716 802 HH12 ARG 114 HH22 ARG 114 127.686 8.816 -4.628 803 HH21 ARG 114 HH11 ARG 114 129.426 5.822 -4.443 804 HH22 ARG 114 HH12 ARG 114 129.350 7.467 -3.907 805 H LEU 115 HN LEU 115 126.304 0.369 -8.736 806 HA LEU 115 HA LEU 115 127.430 1.577 -11.242 807 HB2 LEU 115 HB2 LEU 115 128.622 -0.775 -9.744 808 HB3 LEU 115 HB1 LEU 115 129.317 0.074 -11.122 809 HG LEU 115 HG LEU 115 128.758 1.396 -8.449 810 HD11 LEU 115 HD11 LEU 115 131.227 1.235 -8.119 811 HD12 LEU 115 HD12 LEU 115 131.321 0.211 -9.552 812 HD13 LEU 115 HD13 LEU 115 130.436 -0.341 -8.130 813 HD21 LEU 115 HD21 LEU 115 128.890 3.047 -10.168 814 HD22 LEU 115 HD22 LEU 115 130.216 2.212 -10.976 815 HD23 LEU 115 HD23 LEU 115 130.492 3.021 -9.434 816 H THR 116 HN THR 116 125.823 -1.101 -9.674 817 HA THR 116 HA THR 116 125.511 -2.589 -12.219 818 HB THR 116 HB THR 116 124.593 -3.180 -9.387 819 HG1 THR 116 HG1 THR 116 126.458 -4.547 -11.016 820 HG21 THR 116 HG21 THR 116 124.082 -5.461 -10.398 821 HG22 THR 116 HG22 THR 116 124.225 -4.692 -11.979 822 HG23 THR 116 HG23 THR 116 122.978 -4.162 -10.851 823 H VAL 117 HN VAL 117 123.139 -2.034 -9.665 824 HA VAL 117 HA VAL 117 120.968 -1.583 -11.498 825 HB VAL 117 HB VAL 117 121.420 -0.868 -8.583 826 HG11 VAL 117 HG11 VAL 117 119.876 0.795 -9.333 827 HG12 VAL 117 HG12 VAL 117 118.882 -0.462 -8.596 828 HG13 VAL 117 HG13 VAL 117 119.014 -0.358 -10.352 829 HG21 VAL 117 HG21 VAL 117 119.554 -2.605 -8.341 830 HG22 VAL 117 HG22 VAL 117 121.116 -3.222 -8.878 831 HG23 VAL 117 HG23 VAL 117 119.814 -2.983 -10.043 832 H THR 118 HN THR 118 123.686 0.107 -10.629 833 HA THR 118 HA THR 118 124.350 2.336 -10.680 834 HB THR 118 HB THR 118 124.659 1.604 -12.938 835 HG1 THR 118 HG1 THR 118 123.367 4.006 -13.431 836 HG21 THR 118 HG21 THR 118 121.727 2.285 -13.281 837 HG22 THR 118 HG22 THR 118 122.509 0.726 -13.532 838 HG23 THR 118 HG23 THR 118 122.825 2.058 -14.638 839 H SER 119 HN SER 119 122.459 2.510 -8.973 840 HA SER 119 HA SER 119 121.051 4.099 -8.006 841 HB2 SER 119 HB2 SER 119 121.018 6.241 -8.888 842 HB3 SER 119 HB1 SER 119 122.385 5.596 -9.792 843 HG SER 119 HG SER 119 121.182 5.485 -11.555 844 H1 MET 1 HT1 MET 1 125.927 14.263 -12.956 845 H2 MET 1 HT2 MET 1 126.708 14.087 -11.458 846 H3 MET 1 HT3 MET 1 125.798 15.484 -11.786 847 HA MET 1 HA MET 1 124.039 13.422 -12.191 848 HB2 MET 1 HB2 MET 1 125.717 13.001 -9.698 849 HB3 MET 1 HB1 MET 1 124.191 12.183 -10.039 850 HG2 MET 1 HG2 MET 1 126.536 12.080 -11.942 851 HG3 MET 1 HG1 MET 1 126.314 10.895 -10.655 852 HE1 MET 1 HE1 MET 1 125.788 8.598 -12.181 853 HE2 MET 1 HE2 MET 1 126.748 9.808 -13.028 854 HE3 MET 1 HE3 MET 1 125.417 9.009 -13.861 855 H ALA 2 HN ALA 2 124.977 14.538 -8.958 856 HA ALA 2 HA ALA 2 123.805 15.924 -7.463 857 HB1 ALA 2 HB1 ALA 2 124.772 17.617 -9.017 858 HB2 ALA 2 HB2 ALA 2 123.218 18.127 -8.358 859 HB3 ALA 2 HB3 ALA 2 123.316 17.508 -10.006 860 H SER 3 HN SER 3 122.077 14.473 -6.980 861 HA SER 3 HA SER 3 119.807 13.956 -8.560 862 HB2 SER 3 HB2 SER 3 120.225 12.738 -6.485 863 HB3 SER 3 HB1 SER 3 120.007 14.211 -5.543 864 HG SER 3 HG SER 3 117.999 13.314 -7.302 865 H LYS 4 HN LYS 4 118.670 15.569 -9.547 866 HA LYS 4 HA LYS 4 118.398 18.215 -8.541 867 HB2 LYS 4 HB2 LYS 4 117.575 16.771 -10.869 868 HB3 LYS 4 HB1 LYS 4 116.130 17.546 -10.230 869 HG2 LYS 4 HG2 LYS 4 117.180 19.721 -10.306 870 HG3 LYS 4 HG1 LYS 4 118.742 19.009 -10.717 871 HD2 LYS 4 HD2 LYS 4 117.755 18.124 -12.823 872 HD3 LYS 4 HD1 LYS 4 116.236 18.928 -12.423 873 HE2 LYS 4 HE2 LYS 4 117.492 20.350 -13.942 874 HE3 LYS 4 HE1 LYS 4 117.470 21.106 -12.348 875 HZ1 LYS 4 HZ1 LYS 4 119.678 19.543 -13.563 876 HZ2 LYS 4 HZ2 LYS 4 119.654 20.032 -11.936 877 HZ3 LYS 4 HZ3 LYS 4 119.681 21.194 -13.176 878 HA PRO 5 HA PRO 5 114.051 16.830 -6.962 879 HB2 PRO 5 HB2 PRO 5 114.218 14.003 -6.277 880 HB3 PRO 5 HB1 PRO 5 113.102 14.792 -7.400 881 HG2 PRO 5 HG2 PRO 5 115.270 13.077 -8.101 882 HG3 PRO 5 HG1 PRO 5 114.291 14.046 -9.213 883 HD2 PRO 5 HD2 PRO 5 117.047 14.503 -8.323 884 HD3 PRO 5 HD1 PRO 5 116.166 15.297 -9.642 885 H GLU 6 HN GLU 6 113.941 17.460 -4.850 886 HA GLU 6 HA GLU 6 116.195 17.273 -3.097 887 HB2 GLU 6 HB2 GLU 6 114.365 17.969 -1.344 888 HB3 GLU 6 HB1 GLU 6 114.783 19.088 -2.640 889 HG2 GLU 6 HG2 GLU 6 112.849 18.524 -3.903 890 HG3 GLU 6 HG1 GLU 6 112.537 17.088 -2.927 891 H LYS 7 HN LYS 7 116.877 15.433 -2.125 892 HA LYS 7 HA LYS 7 116.812 13.278 -1.181 893 HB2 LYS 7 HB2 LYS 7 114.186 14.134 0.042 894 HB3 LYS 7 HB1 LYS 7 115.455 13.130 0.746 895 HG2 LYS 7 HG2 LYS 7 116.973 15.117 0.733 896 HG3 LYS 7 HG1 LYS 7 115.624 16.100 0.162 897 HD2 LYS 7 HD2 LYS 7 114.343 15.586 2.173 898 HD3 LYS 7 HD1 LYS 7 115.611 14.495 2.734 899 HE2 LYS 7 HE2 LYS 7 117.196 16.378 2.842 900 HE3 LYS 7 HE1 LYS 7 115.939 17.474 2.267 901 HZ1 LYS 7 HZ1 LYS 7 116.029 15.986 4.825 902 HZ2 LYS 7 HZ2 LYS 7 114.605 16.703 4.238 903 HZ3 LYS 7 HZ3 LYS 7 115.959 17.665 4.595 904 H ARG 8 HN ARG 8 114.686 11.581 -0.544 905 HA ARG 8 HA ARG 8 113.574 10.996 -3.261 906 HB2 ARG 8 HB2 ARG 8 113.046 8.806 -1.573 907 HB3 ARG 8 HB1 ARG 8 114.329 8.899 -2.765 908 HG2 ARG 8 HG2 ARG 8 115.323 8.273 -0.667 909 HG3 ARG 8 HG1 ARG 8 115.791 9.934 -0.995 910 HD2 ARG 8 HD2 ARG 8 113.357 10.149 0.430 911 HD3 ARG 8 HD1 ARG 8 114.242 8.869 1.247 912 HE ARG 8 HE ARG 8 114.766 11.614 1.556 913 HH11 ARG 8 HH21 ARG 8 116.501 8.786 0.598 914 HH12 ARG 8 HH22 ARG 8 118.040 9.413 1.085 915 HH21 ARG 8 HH11 ARG 8 116.759 12.437 2.193 916 HH22 ARG 8 HH12 ARG 8 118.186 11.477 1.986 917 H VAL 9 HN VAL 9 111.373 9.409 -2.382 918 HA VAL 9 HA VAL 9 109.495 11.529 -1.744 919 HB VAL 9 HB VAL 9 109.244 8.532 -2.034 920 HG11 VAL 9 HG11 VAL 9 106.735 8.997 -1.954 921 HG12 VAL 9 HG12 VAL 9 107.141 10.555 -1.235 922 HG13 VAL 9 HG13 VAL 9 107.570 9.061 -0.402 923 HG21 VAL 9 HG21 VAL 9 109.553 9.907 -4.073 924 HG22 VAL 9 HG22 VAL 9 108.137 10.860 -3.627 925 HG23 VAL 9 HG23 VAL 9 107.959 9.153 -4.030 926 H ALA 10 HN ALA 10 108.077 11.476 0.206 927 HA ALA 10 HA ALA 10 109.482 10.328 2.607 928 HB1 ALA 10 HB1 ALA 10 108.022 12.973 2.346 929 HB2 ALA 10 HB2 ALA 10 109.764 12.761 2.517 930 HB3 ALA 10 HB3 ALA 10 108.688 12.324 3.844 931 H SER 11 HN SER 11 108.092 9.784 4.389 932 HA SER 11 HA SER 11 105.173 9.695 3.892 933 HB2 SER 11 HB2 SER 11 105.643 7.601 2.934 934 HB3 SER 11 HB1 SER 11 106.980 7.289 4.035 935 HG SER 11 HG SER 11 104.413 7.641 5.094 936 H SER 12 HN SER 12 104.011 9.625 5.857 937 HA SER 12 HA SER 12 105.556 9.215 8.372 938 HB2 SER 12 HB2 SER 12 105.657 11.638 7.912 939 HB3 SER 12 HB1 SER 12 103.902 11.689 7.780 940 HG SER 12 HG SER 12 103.724 11.271 9.915 941 H VAL 13 HN VAL 13 104.415 7.816 9.558 942 HA VAL 13 HA VAL 13 101.552 8.185 9.991 943 HB VAL 13 HB VAL 13 101.421 6.881 7.965 944 HG11 VAL 13 HG11 VAL 13 102.612 4.793 7.653 945 HG12 VAL 13 HG12 VAL 13 103.267 4.881 9.288 946 HG13 VAL 13 HG13 VAL 13 103.782 6.045 8.068 947 HG21 VAL 13 HG21 VAL 13 100.134 5.044 8.730 948 HG22 VAL 13 HG22 VAL 13 100.024 6.228 10.031 949 HG23 VAL 13 HG23 VAL 13 101.119 4.853 10.180 950 H PHE 14 HN PHE 14 100.776 6.534 11.645 951 HA PHE 14 HA PHE 14 102.630 4.873 13.043 952 HB2 PHE 14 HB2 PHE 14 103.124 6.156 14.969 953 HB3 PHE 14 HB1 PHE 14 103.641 7.090 13.599 954 HD1 PHE 14 HD2 PHE 14 101.645 8.668 12.598 955 HD2 PHE 14 HD1 PHE 14 102.016 7.317 16.658 956 HE1 PHE 14 HE2 PHE 14 100.249 10.557 13.357 957 HE2 PHE 14 HE1 PHE 14 100.625 9.211 17.418 958 HZ PHE 14 HZ PHE 14 99.732 10.836 15.767 959 H ILE 15 HN ILE 15 101.834 4.900 15.597 960 HA ILE 15 HA ILE 15 98.889 5.000 15.757 961 HB ILE 15 HB ILE 15 99.078 2.568 16.735 962 HG12 ILE 15 HG12 ILE 15 101.422 2.575 14.819 963 HG13 ILE 15 HG11 ILE 15 101.591 2.586 16.575 964 HG21 ILE 15 HG21 ILE 15 99.320 3.025 13.749 965 HG22 ILE 15 HG22 ILE 15 97.831 3.206 14.677 966 HG23 ILE 15 HG23 ILE 15 98.592 1.623 14.533 967 HD11 ILE 15 HD11 ILE 15 100.162 0.460 14.948 968 HD12 ILE 15 HD12 ILE 15 100.301 0.478 16.706 969 HD13 ILE 15 HD13 ILE 15 101.743 0.285 15.710 970 H THR 16 HN THR 16 98.692 3.590 18.215 971 HA THR 16 HA THR 16 100.780 4.540 20.029 972 HB THR 16 HB THR 16 99.715 6.649 19.893 973 HG1 THR 16 HG1 THR 16 98.403 5.280 22.000 974 HG21 THR 16 HG21 THR 16 97.215 6.855 20.059 975 HG22 THR 16 HG22 THR 16 97.116 5.097 19.953 976 HG23 THR 16 HG23 THR 16 97.767 6.027 18.603 977 H LEU 17 HN LEU 17 100.610 3.554 22.088 978 HA LEU 17 HA LEU 17 98.659 1.319 22.212 979 HB2 LEU 17 HB2 LEU 17 100.866 1.950 24.187 980 HB3 LEU 17 HB1 LEU 17 100.037 0.414 23.954 981 HG LEU 17 HG LEU 17 102.007 1.760 22.091 982 HD11 LEU 17 HD11 LEU 17 101.968 -1.074 23.147 983 HD12 LEU 17 HD12 LEU 17 102.727 0.244 24.038 984 HD13 LEU 17 HD13 LEU 17 103.322 -0.197 22.437 985 HD21 LEU 17 HD21 LEU 17 100.323 0.972 20.599 986 HD22 LEU 17 HD22 LEU 17 100.035 -0.476 21.563 987 HD23 LEU 17 HD23 LEU 17 101.525 -0.317 20.633 988 H ALA 18 HN ALA 18 96.729 1.909 23.018 989 HA ALA 18 HA ALA 18 96.646 3.363 25.627 990 HB1 ALA 18 HB1 ALA 18 94.934 3.952 23.196 991 HB2 ALA 18 HB2 ALA 18 96.163 5.015 23.882 992 HB3 ALA 18 HB3 ALA 18 94.698 4.655 24.797 993 HA PRO 19 HA PRO 19 94.204 -0.588 25.510 994 HB2 PRO 19 HB2 PRO 19 94.634 -0.752 28.393 995 HB3 PRO 19 HB1 PRO 19 95.217 -1.849 27.133 996 HG2 PRO 19 HG2 PRO 19 96.790 0.015 28.625 997 HG3 PRO 19 HG1 PRO 19 97.323 -0.947 27.239 998 HD2 PRO 19 HD2 PRO 19 96.769 1.918 27.350 999 HD3 PRO 19 HD1 PRO 19 97.479 0.989 26.012 1000 HA PRO 20 HA PRO 20 90.351 1.043 26.846 1001 HB2 PRO 20 HB2 PRO 20 89.606 -1.082 28.694 1002 HB3 PRO 20 HB1 PRO 20 89.004 -0.796 27.056 1003 HG2 PRO 20 HG2 PRO 20 90.852 -2.854 27.928 1004 HG3 PRO 20 HG1 PRO 20 90.218 -2.586 26.298 1005 HD2 PRO 20 HD2 PRO 20 92.897 -2.092 27.208 1006 HD3 PRO 20 HD1 PRO 20 92.214 -1.701 25.616 1007 H ARG 21 HN ARG 21 89.028 1.244 29.163 1008 HA ARG 21 HA ARG 21 90.577 2.996 30.766 1009 HB2 ARG 21 HB2 ARG 21 88.026 1.475 31.351 1010 HB3 ARG 21 HB1 ARG 21 88.707 2.669 32.457 1011 HG2 ARG 21 HG2 ARG 21 88.428 4.438 30.897 1012 HG3 ARG 21 HG1 ARG 21 88.170 3.322 29.556 1013 HD2 ARG 21 HD2 ARG 21 86.300 3.412 31.928 1014 HD3 ARG 21 HD1 ARG 21 86.080 4.463 30.528 1015 HE ARG 21 HE ARG 21 86.318 1.940 29.417 1016 HH11 ARG 21 HH21 ARG 21 84.407 3.406 31.884 1017 HH12 ARG 21 HH22 ARG 21 83.036 2.383 31.614 1018 HH21 ARG 21 HH11 ARG 21 84.537 0.598 29.049 1019 HH22 ARG 21 HH12 ARG 21 83.109 0.794 30.010 1020 H ARG 22 HN ARG 22 92.029 2.607 32.373 1021 HA ARG 22 HA ARG 22 92.989 -0.005 32.962 1022 HB2 ARG 22 HB2 ARG 22 93.197 2.528 34.622 1023 HB3 ARG 22 HB1 ARG 22 94.180 1.081 34.848 1024 HG2 ARG 22 HG2 ARG 22 95.282 1.361 32.771 1025 HG3 ARG 22 HG1 ARG 22 94.065 2.491 32.180 1026 HD2 ARG 22 HD2 ARG 22 95.702 3.164 34.621 1027 HD3 ARG 22 HD1 ARG 22 96.348 3.443 33.004 1028 HE ARG 22 HE ARG 22 93.856 4.628 32.906 1029 HH11 ARG 22 HH21 ARG 22 96.596 4.774 34.993 1030 HH12 ARG 22 HH22 ARG 22 96.345 6.432 35.427 1031 HH21 ARG 22 HH11 ARG 22 93.514 6.794 33.457 1032 HH22 ARG 22 HH12 ARG 22 94.600 7.575 34.557 1033 H ASP 23 HN ASP 23 92.398 -1.498 34.529 1034 HA ASP 23 HA ASP 23 90.680 -0.741 36.770 1035 HB2 ASP 23 HB2 ASP 23 89.090 -0.954 34.820 1036 HB3 ASP 23 HB1 ASP 23 89.560 -2.650 34.701 1037 H VAL 24 HN VAL 24 93.186 -2.390 35.737 1038 HA VAL 24 HA VAL 24 92.756 -5.095 36.566 1039 HB VAL 24 HB VAL 24 95.220 -5.217 36.732 1040 HG11 VAL 24 HG11 VAL 24 95.687 -4.730 34.433 1041 HG12 VAL 24 HG12 VAL 24 94.445 -3.479 34.378 1042 HG13 VAL 24 HG13 VAL 24 93.982 -5.176 34.504 1043 HG21 VAL 24 HG21 VAL 24 94.984 -2.206 36.474 1044 HG22 VAL 24 HG22 VAL 24 96.491 -3.084 36.212 1045 HG23 VAL 24 HG23 VAL 24 95.718 -3.112 37.797 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 120.334 12.038 41.482 2 H2 GLY 1 HT2 GLY 1 119.821 13.654 41.372 3 H3 GLY 1 HT3 GLY 1 119.499 12.753 42.776 4 HA2 GLY 1 HA2 GLY 1 121.931 14.225 41.916 5 HA3 GLY 1 HA1 GLY 1 121.401 13.676 43.531 6 H ILE 2 HN ILE 2 121.034 10.967 43.198 7 HA ILE 2 HA ILE 2 123.717 10.040 43.493 8 HB ILE 2 HB ILE 2 123.548 11.500 45.531 9 HG12 ILE 2 HG12 ILE 2 123.612 8.616 46.428 10 HG13 ILE 2 HG11 ILE 2 124.866 9.255 45.369 11 HG21 ILE 2 HG21 ILE 2 121.649 9.536 46.779 12 HG22 ILE 2 HG22 ILE 2 120.985 10.799 45.746 13 HG23 ILE 2 HG23 ILE 2 121.929 11.231 47.169 14 HD11 ILE 2 HD11 ILE 2 125.327 9.372 47.889 15 HD12 ILE 2 HD12 ILE 2 124.089 10.626 47.948 16 HD13 ILE 2 HD13 ILE 2 125.544 10.870 46.983 17 HA PRO 3 HA PRO 3 119.843 7.233 43.229 18 HB2 PRO 3 HB2 PRO 3 120.686 6.259 40.689 19 HB3 PRO 3 HB1 PRO 3 119.343 7.368 40.989 20 HG2 PRO 3 HG2 PRO 3 122.043 7.968 39.916 21 HG3 PRO 3 HG1 PRO 3 120.548 8.908 39.769 22 HD2 PRO 3 HD2 PRO 3 122.695 9.589 41.432 23 HD3 PRO 3 HD1 PRO 3 121.024 10.167 41.619 24 H GLU 4 HN GLU 4 122.490 6.073 41.240 25 HA GLU 4 HA GLU 4 124.070 4.332 41.677 26 HB2 GLU 4 HB2 GLU 4 124.033 5.574 44.107 27 HB3 GLU 4 HB1 GLU 4 123.255 4.062 44.565 28 HG2 GLU 4 HG2 GLU 4 125.941 4.321 43.177 29 HG3 GLU 4 HG1 GLU 4 125.690 3.907 44.873 30 H PHE 5 HN PHE 5 120.865 4.574 42.535 31 HA PHE 5 HA PHE 5 120.185 1.722 42.619 32 HB2 PHE 5 HB2 PHE 5 118.913 4.411 43.171 33 HB3 PHE 5 HB1 PHE 5 117.828 3.121 42.599 34 HD1 PHE 5 HD2 PHE 5 117.542 1.033 43.911 35 HD2 PHE 5 HD1 PHE 5 119.930 4.297 45.360 36 HE1 PHE 5 HE2 PHE 5 117.492 0.058 46.191 37 HE2 PHE 5 HE1 PHE 5 119.879 3.321 47.639 38 HZ PHE 5 HZ PHE 5 118.661 1.202 48.055 39 H PHE 6 HN PHE 6 121.431 3.450 40.465 40 HA PHE 6 HA PHE 6 121.251 3.959 38.227 41 HB2 PHE 6 HB2 PHE 6 120.330 2.122 36.804 42 HB3 PHE 6 HB1 PHE 6 121.535 1.575 37.968 43 HD1 PHE 6 HD1 PHE 6 120.873 0.303 39.980 44 HD2 PHE 6 HD2 PHE 6 117.994 1.454 37.005 45 HE1 PHE 6 HE1 PHE 6 119.249 -1.318 40.921 46 HE2 PHE 6 HE2 PHE 6 116.371 -0.160 37.952 47 HZ PHE 6 HZ PHE 6 116.998 -1.547 39.908 48 H GLN 7 HN GLN 7 119.027 3.145 36.496 49 HA GLN 7 HA GLN 7 116.839 3.838 35.920 50 HB2 GLN 7 HB2 GLN 7 116.492 3.840 38.595 51 HB3 GLN 7 HB1 GLN 7 116.572 5.586 38.365 52 HG2 GLN 7 HG2 GLN 7 114.783 5.419 36.648 53 HG3 GLN 7 HG1 GLN 7 114.670 3.687 36.960 54 HE21 GLN 7 HE21 GLN 7 114.355 3.183 39.458 55 HE22 GLN 7 HE22 GLN 7 113.252 4.185 40.271 56 H PHE 8 HN PHE 8 119.607 5.389 36.742 57 HA PHE 8 HA PHE 8 119.095 7.552 34.833 58 HB2 PHE 8 HB2 PHE 8 119.824 8.016 37.725 59 HB3 PHE 8 HB1 PHE 8 120.240 9.190 36.477 60 HD1 PHE 8 HD2 PHE 8 118.371 10.113 35.000 61 HD2 PHE 8 HD1 PHE 8 117.626 7.925 38.621 62 HE1 PHE 8 HE2 PHE 8 116.066 11.022 35.074 63 HE2 PHE 8 HE1 PHE 8 115.319 8.835 38.695 64 HZ PHE 8 HZ PHE 8 114.540 10.384 36.922 65 H THR 9 HN THR 9 121.267 5.873 36.971 66 HA THR 9 HA THR 9 123.610 6.566 35.282 67 HB THR 9 HB THR 9 123.480 4.724 37.694 68 HG1 THR 9 HG1 THR 9 124.584 7.043 38.285 69 HG21 THR 9 HG21 THR 9 125.513 4.395 36.494 70 HG22 THR 9 HG22 THR 9 125.924 5.471 37.828 71 HG23 THR 9 HG23 THR 9 125.708 6.124 36.205 72 H VAL 10 HN VAL 10 121.039 4.626 35.165 73 HA VAL 10 HA VAL 10 121.763 1.996 34.790 74 HB VAL 10 HB VAL 10 119.461 2.830 34.545 75 HG11 VAL 10 HG11 VAL 10 120.237 3.777 31.786 76 HG12 VAL 10 HG12 VAL 10 120.231 4.856 33.179 77 HG13 VAL 10 HG13 VAL 10 118.737 4.077 32.659 78 HG21 VAL 10 HG21 VAL 10 118.792 1.421 32.641 79 HG22 VAL 10 HG22 VAL 10 120.052 0.626 33.582 80 HG23 VAL 10 HG23 VAL 10 120.452 1.405 32.055 81 H GLY 11 HN GLY 11 122.106 4.633 32.461 82 HA2 GLY 11 HA2 GLY 11 124.443 4.318 31.269 83 HA3 GLY 11 HA1 GLY 11 123.656 2.891 30.608 84 HA PRO 12 HA PRO 12 121.874 5.516 27.477 85 HB2 PRO 12 HB2 PRO 12 119.385 4.247 27.140 86 HB3 PRO 12 HB1 PRO 12 120.895 3.743 26.365 87 HG2 PRO 12 HG2 PRO 12 119.481 2.520 28.682 88 HG3 PRO 12 HG1 PRO 12 120.590 1.768 27.525 89 HD2 PRO 12 HD2 PRO 12 121.254 2.470 30.158 90 HD3 PRO 12 HD1 PRO 12 122.420 2.171 28.854 91 H LEU 13 HN LEU 13 121.524 6.241 30.284 92 HA LEU 13 HA LEU 13 120.134 7.429 31.760 93 HB2 LEU 13 HB2 LEU 13 118.911 9.153 29.718 94 HB3 LEU 13 HB1 LEU 13 120.055 9.578 30.982 95 HG LEU 13 HG LEU 13 120.810 8.321 28.324 96 HD11 LEU 13 HD11 LEU 13 121.758 10.628 27.906 97 HD12 LEU 13 HD12 LEU 13 120.842 11.176 29.309 98 HD13 LEU 13 HD13 LEU 13 119.997 10.530 27.903 99 HD21 LEU 13 HD21 LEU 13 123.057 8.548 28.996 100 HD22 LEU 13 HD22 LEU 13 122.298 8.067 30.510 101 HD23 LEU 13 HD23 LEU 13 122.675 9.760 30.218 102 H GLY 14 HN GLY 14 118.950 5.096 30.372 103 HA2 GLY 14 HA2 GLY 14 116.859 4.013 30.426 104 HA3 GLY 14 HA1 GLY 14 116.215 5.426 31.271 105 H GLU 15 HN GLU 15 116.808 7.431 29.521 106 HA GLU 15 HA GLU 15 115.780 8.535 27.726 107 HB2 GLU 15 HB2 GLU 15 117.626 7.042 26.738 108 HB3 GLU 15 HB1 GLU 15 116.319 5.958 26.253 109 HG2 GLU 15 HG2 GLU 15 116.792 7.418 24.382 110 HG3 GLU 15 HG1 GLU 15 115.252 7.930 25.063 111 H GLY 16 HN GLY 16 114.285 6.298 29.377 112 HA2 GLY 16 HA2 GLY 16 112.131 5.453 29.502 113 HA3 GLY 16 HA1 GLY 16 111.676 6.842 28.519 114 H GLY 17 HN GLY 17 111.467 3.590 28.622 115 HA2 GLY 17 HA2 GLY 17 110.694 2.052 27.041 116 HA3 GLY 17 HA1 GLY 17 110.598 3.365 25.883 117 H ALA 18 HN ALA 18 113.151 4.171 25.570 118 HA ALA 18 HA ALA 18 114.279 2.319 23.802 119 HB1 ALA 18 HB1 ALA 18 116.349 3.897 25.183 120 HB2 ALA 18 HB2 ALA 18 114.958 4.864 24.703 121 HB3 ALA 18 HB3 ALA 18 115.849 3.946 23.492 122 H HIS 19 HN HIS 19 114.044 1.917 27.123 123 HA HIS 19 HA HIS 19 116.493 0.264 27.334 124 HB2 HIS 19 HB2 HIS 19 116.049 1.706 29.220 125 HB3 HIS 19 HB1 HIS 19 114.396 1.108 29.350 126 HD1 HIS 19 HD1 HIS 19 114.075 -1.329 30.277 127 HD2 HIS 19 HD2 HIS 19 118.019 0.020 30.355 128 HE1 HIS 19 HE1 HIS 19 115.355 -2.942 31.752 129 H LYS 20 HN LYS 20 113.180 -0.143 26.540 130 HA LYS 20 HA LYS 20 113.458 -3.104 26.949 131 HB2 LYS 20 HB2 LYS 20 111.036 -3.191 27.507 132 HB3 LYS 20 HB1 LYS 20 111.983 -2.311 28.701 133 HG2 LYS 20 HG2 LYS 20 110.371 -0.697 28.454 134 HG3 LYS 20 HG1 LYS 20 111.279 -0.251 27.016 135 HD2 LYS 20 HD2 LYS 20 109.819 -1.802 25.683 136 HD3 LYS 20 HD1 LYS 20 108.870 -2.092 27.139 137 HE2 LYS 20 HE2 LYS 20 107.736 -0.371 25.912 138 HE3 LYS 20 HE1 LYS 20 108.515 0.411 27.286 139 HZ1 LYS 20 HZ1 LYS 20 110.459 0.626 25.551 140 HZ2 LYS 20 HZ2 LYS 20 109.205 1.770 25.625 141 HZ3 LYS 20 HZ3 LYS 20 109.177 0.550 24.443 142 H VAL 21 HN VAL 21 113.420 -0.906 24.629 143 HA VAL 21 HA VAL 21 111.344 -2.189 22.923 144 HB VAL 21 HB VAL 21 113.151 0.213 22.496 145 HG11 VAL 21 HG11 VAL 21 111.697 0.497 20.405 146 HG12 VAL 21 HG12 VAL 21 111.213 -1.183 20.632 147 HG13 VAL 21 HG13 VAL 21 112.905 -0.786 20.332 148 HG21 VAL 21 HG21 VAL 21 110.180 -0.172 22.953 149 HG22 VAL 21 HG22 VAL 21 110.865 1.332 22.340 150 HG23 VAL 21 HG23 VAL 21 111.315 0.747 23.937 151 H ARG 22 HN ARG 22 111.957 -4.009 21.942 152 HA ARG 22 HA ARG 22 114.783 -4.275 20.965 153 HB2 ARG 22 HB2 ARG 22 114.228 -5.971 22.616 154 HB3 ARG 22 HB1 ARG 22 112.732 -6.358 21.771 155 HG2 ARG 22 HG2 ARG 22 114.579 -8.000 21.321 156 HG3 ARG 22 HG1 ARG 22 113.984 -7.225 19.854 157 HD2 ARG 22 HD2 ARG 22 115.889 -5.863 19.653 158 HD3 ARG 22 HD1 ARG 22 116.327 -6.055 21.351 159 HE ARG 22 HE ARG 22 116.522 -8.621 20.331 160 HH11 ARG 22 HH21 ARG 22 117.736 -5.501 19.513 161 HH12 ARG 22 HH22 ARG 22 119.204 -6.105 18.821 162 HH21 ARG 22 HH11 ARG 22 118.435 -9.431 19.433 163 HH22 ARG 22 HH12 ARG 22 119.600 -8.330 18.775 164 H ALA 23 HN ALA 23 114.956 -4.103 18.795 165 HA ALA 23 HA ALA 23 112.669 -5.017 17.071 166 HB1 ALA 23 HB1 ALA 23 114.466 -2.614 16.601 167 HB2 ALA 23 HB2 ALA 23 112.792 -2.532 17.150 168 HB3 ALA 23 HB3 ALA 23 113.163 -3.160 15.544 169 H GLY 24 HN GLY 24 113.409 -6.782 16.007 170 HA2 GLY 24 HA2 GLY 24 116.001 -6.618 14.587 171 HA3 GLY 24 HA1 GLY 24 115.840 -7.911 15.779 172 H GLY 25 HN GLY 25 115.771 -7.561 12.599 173 HA2 GLY 25 HA2 GLY 25 114.318 -9.968 12.100 174 HA3 GLY 25 HA1 GLY 25 113.286 -8.594 11.701 175 H THR 26 HN THR 26 113.945 -10.218 9.635 176 HA THR 26 HA THR 26 116.380 -9.327 8.286 177 HB THR 26 HB THR 26 115.303 -10.574 6.322 178 HG1 THR 26 HG1 THR 26 113.182 -10.520 6.880 179 HG21 THR 26 HG21 THR 26 115.743 -11.975 8.972 180 HG22 THR 26 HG22 THR 26 116.961 -11.647 7.739 181 HG23 THR 26 HG23 THR 26 115.663 -12.796 7.413 182 H GLY 27 HN GLY 27 113.021 -8.385 8.375 183 HA2 GLY 27 HA2 GLY 27 113.030 -6.855 5.923 184 HA3 GLY 27 HA1 GLY 27 111.851 -6.703 7.227 185 H LEU 28 HN LEU 28 114.466 -6.395 8.962 186 HA LEU 28 HA LEU 28 114.437 -3.444 8.837 187 HB2 LEU 28 HB2 LEU 28 115.549 -5.503 10.739 188 HB3 LEU 28 HB1 LEU 28 116.093 -3.832 10.839 189 HG LEU 28 HG LEU 28 113.134 -4.422 10.764 190 HD11 LEU 28 HD11 LEU 28 114.090 -5.877 12.534 191 HD12 LEU 28 HD12 LEU 28 113.106 -4.580 13.213 192 HD13 LEU 28 HD13 LEU 28 114.865 -4.466 13.256 193 HD21 LEU 28 HD21 LEU 28 114.852 -2.258 12.032 194 HD22 LEU 28 HD22 LEU 28 113.098 -2.354 12.178 195 HD23 LEU 28 HD23 LEU 28 113.836 -2.080 10.602 196 H GLU 29 HN GLU 29 116.301 -6.048 7.644 197 HA GLU 29 HA GLU 29 118.804 -4.499 7.454 198 HB2 GLU 29 HB2 GLU 29 118.202 -7.153 6.137 199 HB3 GLU 29 HB1 GLU 29 119.775 -6.492 6.585 200 HG2 GLU 29 HG2 GLU 29 119.113 -6.603 8.982 201 HG3 GLU 29 HG1 GLU 29 117.586 -7.341 8.503 202 H ARG 30 HN ARG 30 116.738 -6.173 5.026 203 HA ARG 30 HA ARG 30 116.980 -3.792 3.262 204 HB2 ARG 30 HB2 ARG 30 117.725 -6.545 2.247 205 HB3 ARG 30 HB1 ARG 30 117.893 -5.005 1.407 206 HG2 ARG 30 HG2 ARG 30 119.520 -4.286 3.183 207 HG3 ARG 30 HG1 ARG 30 119.437 -5.917 3.850 208 HD2 ARG 30 HD2 ARG 30 120.061 -6.737 1.497 209 HD3 ARG 30 HD1 ARG 30 120.484 -5.060 1.149 210 HE ARG 30 HE ARG 30 121.852 -5.609 3.493 211 HH11 ARG 30 HH21 ARG 30 121.559 -7.051 0.373 212 HH12 ARG 30 HH22 ARG 30 123.165 -7.699 0.375 213 HH21 ARG 30 HH11 ARG 30 123.952 -6.446 3.512 214 HH22 ARG 30 HH12 ARG 30 124.520 -7.356 2.153 215 H GLY 31 HN GLY 31 115.757 -4.402 1.089 216 HA2 GLY 31 HA2 GLY 31 113.491 -6.250 1.516 217 HA3 GLY 31 HA1 GLY 31 113.081 -4.539 1.337 218 H VAL 32 HN VAL 32 112.067 -6.069 -0.653 219 HA VAL 32 HA VAL 32 113.881 -5.463 -2.948 220 HB VAL 32 HB VAL 32 112.393 -8.019 -2.404 221 HG11 VAL 32 HG11 VAL 32 111.861 -7.554 -4.691 222 HG12 VAL 32 HG12 VAL 32 113.204 -8.692 -4.724 223 HG13 VAL 32 HG13 VAL 32 113.491 -6.981 -5.020 224 HG21 VAL 32 HG21 VAL 32 115.242 -7.681 -3.318 225 HG22 VAL 32 HG22 VAL 32 114.505 -9.059 -2.507 226 HG23 VAL 32 HG23 VAL 32 114.809 -7.571 -1.613 227 H ALA 33 HN ALA 33 112.875 -4.960 -4.907 228 HA ALA 33 HA ALA 33 110.721 -3.244 -4.889 229 HB1 ALA 33 HB1 ALA 33 110.562 -4.684 -7.386 230 HB2 ALA 33 HB2 ALA 33 112.244 -4.603 -6.890 231 HB3 ALA 33 HB3 ALA 33 111.317 -3.121 -7.077 232 H GLY 34 HN GLY 34 108.738 -3.566 -4.076 233 HA2 GLY 34 HA2 GLY 34 106.616 -4.459 -3.722 234 HA3 GLY 34 HA1 GLY 34 106.781 -5.111 -5.345 235 H VAL 35 HN VAL 35 108.373 -5.867 -2.225 236 HA VAL 35 HA VAL 35 107.462 -8.684 -2.585 237 HB VAL 35 HB VAL 35 110.182 -7.611 -1.904 238 HG11 VAL 35 HG11 VAL 35 109.849 -9.126 -0.084 239 HG12 VAL 35 HG12 VAL 35 110.760 -10.030 -1.292 240 HG13 VAL 35 HG13 VAL 35 109.027 -10.295 -1.116 241 HG21 VAL 35 HG21 VAL 35 109.680 -8.219 -4.237 242 HG22 VAL 35 HG22 VAL 35 109.176 -9.826 -3.718 243 HG23 VAL 35 HG23 VAL 35 110.861 -9.338 -3.556 244 HA PRO 36 HA PRO 36 105.747 -7.685 1.464 245 HB2 PRO 36 HB2 PRO 36 105.483 -10.484 2.179 246 HB3 PRO 36 HB1 PRO 36 104.204 -9.359 1.703 247 HG2 PRO 36 HG2 PRO 36 105.324 -11.523 0.137 248 HG3 PRO 36 HG1 PRO 36 104.024 -10.414 -0.321 249 HD2 PRO 36 HD2 PRO 36 106.719 -10.457 -1.336 250 HD3 PRO 36 HD1 PRO 36 105.431 -9.301 -1.739 251 H ALA 37 HN ALA 37 107.193 -7.019 2.999 252 HA ALA 37 HA ALA 37 109.268 -8.994 3.944 253 HB1 ALA 37 HB1 ALA 37 110.344 -7.287 2.545 254 HB2 ALA 37 HB2 ALA 37 110.803 -7.065 4.233 255 HB3 ALA 37 HB3 ALA 37 109.594 -6.010 3.502 256 H GLU 38 HN GLU 38 109.743 -8.864 6.214 257 HA GLU 38 HA GLU 38 108.281 -6.886 7.825 258 HB2 GLU 38 HB2 GLU 38 106.871 -8.403 8.996 259 HB3 GLU 38 HB1 GLU 38 106.673 -8.826 7.295 260 HG2 GLU 38 HG2 GLU 38 108.591 -10.535 7.732 261 HG3 GLU 38 HG1 GLU 38 108.226 -10.275 9.443 262 H PHE 39 HN PHE 39 108.736 -7.076 10.112 263 HA PHE 39 HA PHE 39 111.129 -8.692 10.809 264 HB2 PHE 39 HB2 PHE 39 111.881 -6.557 12.137 265 HB3 PHE 39 HB1 PHE 39 112.255 -6.666 10.420 266 HD1 PHE 39 HD2 PHE 39 110.432 -5.700 8.798 267 HD2 PHE 39 HD1 PHE 39 110.781 -4.638 12.936 268 HE1 PHE 39 HE2 PHE 39 109.185 -3.603 8.362 269 HE2 PHE 39 HE1 PHE 39 109.544 -2.533 12.495 270 HZ PHE 39 HZ PHE 39 108.744 -2.018 10.211 271 H SER 40 HN SER 40 111.410 -8.109 13.371 272 HA SER 40 HA SER 40 108.657 -8.403 14.548 273 HB2 SER 40 HB2 SER 40 109.550 -9.980 16.123 274 HB3 SER 40 HB1 SER 40 110.095 -10.487 14.527 275 HG SER 40 HG SER 40 111.764 -10.441 16.151 276 H ILE 41 HN ILE 41 108.259 -7.328 16.486 277 HA ILE 41 HA ILE 41 110.446 -5.741 17.727 278 HB ILE 41 HB ILE 41 107.876 -4.624 16.570 279 HG12 ILE 41 HG12 ILE 41 110.739 -3.630 16.417 280 HG13 ILE 41 HG11 ILE 41 110.026 -4.709 15.220 281 HG21 ILE 41 HG21 ILE 41 108.652 -2.470 17.761 282 HG22 ILE 41 HG22 ILE 41 109.649 -3.523 18.764 283 HG23 ILE 41 HG23 ILE 41 107.895 -3.702 18.769 284 HD11 ILE 41 HD11 ILE 41 109.961 -2.161 14.746 285 HD12 ILE 41 HD12 ILE 41 108.679 -2.109 15.952 286 HD13 ILE 41 HD13 ILE 41 108.479 -3.084 14.496 287 H TRP 42 HN TRP 42 110.375 -6.317 19.822 288 HA TRP 42 HA TRP 42 107.718 -6.927 21.084 289 HB2 TRP 42 HB2 TRP 42 108.853 -8.931 21.341 290 HB3 TRP 42 HB1 TRP 42 110.432 -8.162 21.277 291 HD1 TRP 42 HD1 TRP 42 111.218 -6.853 23.558 292 HE1 TRP 42 HE1 TRP 42 110.724 -7.416 26.025 293 HE3 TRP 42 HE3 TRP 42 107.182 -9.932 22.973 294 HZ2 TRP 42 HZ2 TRP 42 108.867 -8.966 27.548 295 HZ3 TRP 42 HZ3 TRP 42 106.074 -10.937 24.949 296 HH2 TRP 42 HH2 TRP 42 106.910 -10.458 27.233 297 H THR 43 HN THR 43 107.103 -5.579 22.695 298 HA THR 43 HA THR 43 109.147 -4.021 24.193 299 HB THR 43 HB THR 43 108.185 -1.913 23.696 300 HG1 THR 43 HG1 THR 43 106.107 -1.861 23.555 301 HG21 THR 43 HG21 THR 43 107.908 -3.455 21.105 302 HG22 THR 43 HG22 THR 43 109.456 -2.966 21.791 303 HG23 THR 43 HG23 THR 43 108.289 -1.743 21.290 304 H ARG 44 HN ARG 44 106.398 -2.469 24.807 305 HA ARG 44 HA ARG 44 104.876 -2.527 26.579 306 HB2 ARG 44 HB2 ARG 44 104.004 -4.401 25.109 307 HB3 ARG 44 HB1 ARG 44 104.888 -5.523 26.141 308 HG2 ARG 44 HG2 ARG 44 103.614 -4.846 28.084 309 HG3 ARG 44 HG1 ARG 44 102.862 -3.533 27.195 310 HD2 ARG 44 HD2 ARG 44 101.235 -4.906 26.401 311 HD3 ARG 44 HD1 ARG 44 102.410 -6.064 25.797 312 HE ARG 44 HE ARG 44 100.754 -6.394 28.093 313 HH11 ARG 44 HH21 ARG 44 104.083 -6.677 27.225 314 HH12 ARG 44 HH22 ARG 44 104.449 -7.788 28.500 315 HH21 ARG 44 HH11 ARG 44 101.215 -7.841 29.743 316 HH22 ARG 44 HH12 ARG 44 102.828 -8.447 29.923 317 H GLU 45 HN GLU 45 106.670 -1.923 28.026 318 HA GLU 45 HA GLU 45 106.923 -3.857 30.210 319 HB2 GLU 45 HB2 GLU 45 108.885 -4.143 28.413 320 HB3 GLU 45 HB1 GLU 45 109.553 -2.745 29.254 321 HG2 GLU 45 HG2 GLU 45 110.441 -4.680 30.354 322 HG3 GLU 45 HG1 GLU 45 109.199 -4.028 31.424 323 H ALA 46 HN ALA 46 108.248 -0.776 28.930 324 HA ALA 46 HA ALA 46 108.623 0.441 31.480 325 HB1 ALA 46 HB1 ALA 46 109.481 1.302 29.236 326 HB2 ALA 46 HB2 ALA 46 108.802 2.525 30.307 327 HB3 ALA 46 HB3 ALA 46 107.853 1.914 28.952 328 H GLY 47 HN GLY 47 105.884 0.587 29.210 329 HA2 GLY 47 HA2 GLY 47 103.750 0.343 30.834 330 HA3 GLY 47 HA1 GLY 47 104.252 1.988 31.227 331 H ALA 48 HN ALA 48 101.908 2.204 30.255 332 HA ALA 48 HA ALA 48 101.374 1.911 27.506 333 HB1 ALA 48 HB1 ALA 48 100.477 4.238 29.232 334 HB2 ALA 48 HB2 ALA 48 99.723 2.643 29.263 335 HB3 ALA 48 HB3 ALA 48 99.671 3.616 27.792 336 H GLY 49 HN GLY 49 101.377 3.633 25.807 337 HA2 GLY 49 HA2 GLY 49 102.825 6.059 26.017 338 HA3 GLY 49 HA1 GLY 49 103.974 4.812 25.533 339 H GLY 50 HN GLY 50 104.173 5.994 23.482 340 HA2 GLY 50 HA2 GLY 50 102.101 5.115 21.543 341 HA3 GLY 50 HA1 GLY 50 102.482 6.836 21.604 342 H LEU 51 HN LEU 51 103.119 4.181 19.865 343 HA LEU 51 HA LEU 51 106.013 4.771 19.399 344 HB2 LEU 51 HB2 LEU 51 105.200 2.382 19.728 345 HB3 LEU 51 HB1 LEU 51 104.306 2.558 18.223 346 HG LEU 51 HG LEU 51 106.636 3.314 17.237 347 HD11 LEU 51 HD11 LEU 51 107.433 1.751 19.714 348 HD12 LEU 51 HD12 LEU 51 107.892 3.403 19.310 349 HD13 LEU 51 HD13 LEU 51 108.508 2.061 18.353 350 HD21 LEU 51 HD21 LEU 51 106.091 0.421 17.979 351 HD22 LEU 51 HD22 LEU 51 107.143 0.971 16.675 352 HD23 LEU 51 HD23 LEU 51 105.406 1.264 16.590 353 H SER 52 HN SER 52 106.031 6.584 18.094 354 HA SER 52 HA SER 52 104.161 6.831 15.838 355 HB2 SER 52 HB2 SER 52 105.007 9.018 15.582 356 HB3 SER 52 HB1 SER 52 105.055 8.754 17.323 357 HG SER 52 HG SER 52 107.089 9.108 15.532 358 H ILE 53 HN ILE 53 104.770 6.516 13.624 359 HA ILE 53 HA ILE 53 107.613 5.673 13.170 360 HB ILE 53 HB ILE 53 105.155 4.379 11.966 361 HG12 ILE 53 HG12 ILE 53 107.138 3.211 13.938 362 HG13 ILE 53 HG11 ILE 53 105.594 3.910 14.428 363 HG21 ILE 53 HG21 ILE 53 106.955 2.687 11.260 364 HG22 ILE 53 HG22 ILE 53 108.128 3.939 11.665 365 HG23 ILE 53 HG23 ILE 53 106.935 4.225 10.399 366 HD11 ILE 53 HD11 ILE 53 105.450 1.445 14.144 367 HD12 ILE 53 HD12 ILE 53 105.918 1.630 12.453 368 HD13 ILE 53 HD13 ILE 53 104.390 2.302 13.025 369 H ALA 54 HN ALA 54 108.460 7.155 11.821 370 HA ALA 54 HA ALA 54 106.717 8.416 9.740 371 HB1 ALA 54 HB1 ALA 54 108.273 10.230 9.709 372 HB2 ALA 54 HB2 ALA 54 109.483 9.303 10.595 373 HB3 ALA 54 HB3 ALA 54 108.021 9.854 11.414 374 H VAL 55 HN VAL 55 106.855 7.204 7.908 375 HA VAL 55 HA VAL 55 109.489 6.040 7.125 376 HB VAL 55 HB VAL 55 107.792 5.061 5.255 377 HG11 VAL 55 HG11 VAL 55 109.160 3.704 6.794 378 HG12 VAL 55 HG12 VAL 55 107.517 3.069 6.694 379 HG13 VAL 55 HG13 VAL 55 108.014 4.014 8.098 380 HG21 VAL 55 HG21 VAL 55 105.940 6.458 6.421 381 HG22 VAL 55 HG22 VAL 55 105.997 5.228 7.683 382 HG23 VAL 55 HG23 VAL 55 105.581 4.779 6.030 383 H GLU 56 HN GLU 56 110.467 6.611 5.199 384 HA GLU 56 HA GLU 56 109.094 8.548 3.409 385 HB2 GLU 56 HB2 GLU 56 110.257 10.111 4.739 386 HB3 GLU 56 HB1 GLU 56 111.643 9.051 4.953 387 HG2 GLU 56 HG2 GLU 56 112.372 9.416 2.695 388 HG3 GLU 56 HG1 GLU 56 110.859 10.184 2.265 389 H GLY 57 HN GLY 57 109.840 8.343 1.245 390 HA2 GLY 57 HA2 GLY 57 112.159 7.176 0.290 391 HA3 GLY 57 HA1 GLY 57 111.113 5.803 0.644 392 HA PRO 58 HA PRO 58 110.202 7.462 -3.630 393 HB2 PRO 58 HB2 PRO 58 110.416 4.791 -4.705 394 HB3 PRO 58 HB1 PRO 58 111.505 6.166 -4.940 395 HG2 PRO 58 HG2 PRO 58 111.993 3.779 -3.377 396 HG3 PRO 58 HG1 PRO 58 113.089 5.144 -3.636 397 HD2 PRO 58 HD2 PRO 58 111.562 4.497 -1.238 398 HD3 PRO 58 HD1 PRO 58 112.756 5.788 -1.464 399 H SER 59 HN SER 59 109.020 4.628 -1.857 400 HA SER 59 HA SER 59 106.310 5.117 -3.070 401 HB2 SER 59 HB2 SER 59 106.160 2.949 -3.729 402 HB3 SER 59 HB1 SER 59 107.894 2.849 -3.440 403 HG SER 59 HG SER 59 107.482 2.097 -1.383 404 H LYS 60 HN LYS 60 104.644 3.793 -1.631 405 HA LYS 60 HA LYS 60 104.971 4.869 1.108 406 HB2 LYS 60 HB2 LYS 60 102.585 3.498 -0.174 407 HB3 LYS 60 HB1 LYS 60 102.584 4.381 1.349 408 HG2 LYS 60 HG2 LYS 60 103.444 5.725 -1.219 409 HG3 LYS 60 HG1 LYS 60 101.741 5.604 -0.790 410 HD2 LYS 60 HD2 LYS 60 102.336 6.667 1.443 411 HD3 LYS 60 HD1 LYS 60 103.938 6.980 0.777 412 HE2 LYS 60 HE2 LYS 60 103.027 8.372 -0.963 413 HE3 LYS 60 HE1 LYS 60 101.378 7.895 -0.559 414 HZ1 LYS 60 HZ1 LYS 60 103.218 9.639 0.941 415 HZ2 LYS 60 HZ2 LYS 60 101.953 8.837 1.742 416 HZ3 LYS 60 HZ3 LYS 60 101.611 9.926 0.483 417 H ALA 61 HN ALA 61 105.915 3.503 2.572 418 HA ALA 61 HA ALA 61 106.144 0.667 2.166 419 HB1 ALA 61 HB1 ALA 61 107.756 1.793 3.576 420 HB2 ALA 61 HB2 ALA 61 106.863 0.657 4.586 421 HB3 ALA 61 HB3 ALA 61 106.482 2.378 4.647 422 H GLU 62 HN GLU 62 104.234 -0.475 2.019 423 HA GLU 62 HA GLU 62 101.854 0.155 3.489 424 HB2 GLU 62 HB2 GLU 62 102.641 -2.544 2.360 425 HB3 GLU 62 HB1 GLU 62 101.008 -1.970 2.693 426 HG2 GLU 62 HG2 GLU 62 101.371 -0.133 1.028 427 HG3 GLU 62 HG1 GLU 62 102.927 -0.861 0.625 428 H ILE 63 HN ILE 63 103.072 0.414 5.624 429 HA ILE 63 HA ILE 63 104.168 -1.775 7.061 430 HB ILE 63 HB ILE 63 102.560 0.480 8.296 431 HG12 ILE 63 HG12 ILE 63 105.206 1.310 8.397 432 HG13 ILE 63 HG11 ILE 63 105.156 0.543 6.814 433 HG21 ILE 63 HG21 ILE 63 104.014 0.127 10.201 434 HG22 ILE 63 HG22 ILE 63 104.985 -1.035 9.296 435 HG23 ILE 63 HG23 ILE 63 103.322 -1.426 9.734 436 HD11 ILE 63 HD11 ILE 63 102.939 1.963 6.533 437 HD12 ILE 63 HD12 ILE 63 104.513 2.720 6.299 438 HD13 ILE 63 HD13 ILE 63 103.652 2.935 7.819 439 H ALA 64 HN ALA 64 103.189 -3.249 8.584 440 HA ALA 64 HA ALA 64 100.239 -3.262 8.766 441 HB1 ALA 64 HB1 ALA 64 100.341 -4.584 6.832 442 HB2 ALA 64 HB2 ALA 64 100.361 -5.797 8.112 443 HB3 ALA 64 HB3 ALA 64 101.862 -5.334 7.309 444 H PHE 65 HN PHE 65 99.705 -3.832 10.822 445 HA PHE 65 HA PHE 65 101.810 -4.887 12.600 446 HB2 PHE 65 HB2 PHE 65 100.117 -4.523 14.380 447 HB3 PHE 65 HB1 PHE 65 100.369 -3.071 13.410 448 HD1 PHE 65 HD1 PHE 65 98.681 -2.312 11.803 449 HD2 PHE 65 HD2 PHE 65 98.053 -5.813 14.211 450 HE1 PHE 65 HE1 PHE 65 96.272 -2.285 11.214 451 HE2 PHE 65 HE2 PHE 65 95.644 -5.786 13.623 452 HZ PHE 65 HZ PHE 65 94.753 -4.022 12.124 453 H GLU 66 HN GLU 66 101.945 -7.002 13.212 454 HA GLU 66 HA GLU 66 99.556 -8.765 12.920 455 HB2 GLU 66 HB2 GLU 66 100.976 -8.953 10.847 456 HB3 GLU 66 HB1 GLU 66 102.303 -9.508 11.868 457 HG2 GLU 66 HG2 GLU 66 100.833 -11.362 12.690 458 HG3 GLU 66 HG1 GLU 66 99.601 -10.845 11.539 459 H ASP 67 HN ASP 67 99.304 -9.415 15.007 460 HA ASP 67 HA ASP 67 101.675 -9.883 16.719 461 HB2 ASP 67 HB2 ASP 67 99.960 -10.287 18.491 462 HB3 ASP 67 HB1 ASP 67 99.780 -8.711 17.718 463 H ARG 68 HN ARG 68 102.636 -11.835 16.315 464 HA ARG 68 HA ARG 68 100.923 -14.218 15.766 465 HB2 ARG 68 HB2 ARG 68 103.876 -13.647 15.439 466 HB3 ARG 68 HB1 ARG 68 103.220 -15.280 15.316 467 HG2 ARG 68 HG2 ARG 68 101.672 -14.511 13.537 468 HG3 ARG 68 HG1 ARG 68 102.379 -12.898 13.636 469 HD2 ARG 68 HD2 ARG 68 104.073 -15.343 13.107 470 HD3 ARG 68 HD1 ARG 68 103.294 -14.450 11.800 471 HE ARG 68 HE ARG 68 104.623 -12.487 13.226 472 HH11 ARG 68 HH21 ARG 68 105.433 -15.524 11.808 473 HH12 ARG 68 HH22 ARG 68 107.067 -15.072 11.453 474 HH21 ARG 68 HH11 ARG 68 106.752 -11.880 12.771 475 HH22 ARG 68 HH12 ARG 68 107.814 -13.009 11.997 476 H LYS 69 HN LYS 69 102.752 -12.716 18.257 477 HA LYS 69 HA LYS 69 102.607 -15.215 19.922 478 HB2 LYS 69 HB2 LYS 69 104.576 -12.941 20.280 479 HB3 LYS 69 HB1 LYS 69 104.600 -14.522 21.060 480 HG2 LYS 69 HG2 LYS 69 104.824 -15.533 18.732 481 HG3 LYS 69 HG1 LYS 69 105.119 -13.895 18.147 482 HD2 LYS 69 HD2 LYS 69 107.051 -13.667 19.608 483 HD3 LYS 69 HD1 LYS 69 106.721 -15.235 20.344 484 HE2 LYS 69 HE2 LYS 69 107.013 -16.294 18.091 485 HE3 LYS 69 HE1 LYS 69 107.496 -14.720 17.459 486 HZ1 LYS 69 HZ1 LYS 69 109.013 -15.052 19.705 487 HZ2 LYS 69 HZ2 LYS 69 109.538 -15.254 18.102 488 HZ3 LYS 69 HZ3 LYS 69 109.002 -16.594 18.999 489 H ASP 70 HN ASP 70 101.268 -12.227 19.426 490 HA ASP 70 HA ASP 70 99.760 -11.003 20.751 491 HB2 ASP 70 HB2 ASP 70 99.584 -13.457 21.858 492 HB3 ASP 70 HB1 ASP 70 100.343 -12.627 23.210 493 H GLY 71 HN GLY 71 102.980 -11.764 21.718 494 HA2 GLY 71 HA2 GLY 71 103.138 -9.264 23.371 495 HA3 GLY 71 HA1 GLY 71 104.166 -10.675 23.605 496 H SER 72 HN SER 72 104.377 -11.014 20.614 497 HA SER 72 HA SER 72 106.576 -9.043 20.229 498 HB2 SER 72 HB2 SER 72 107.227 -11.317 19.791 499 HB3 SER 72 HB1 SER 72 105.801 -11.598 18.795 500 HG SER 72 HG SER 72 106.640 -10.315 17.230 501 H CYS 73 HN CYS 73 106.145 -7.243 19.052 502 HA CYS 73 HA CYS 73 103.664 -7.076 17.485 503 HB2 CYS 73 HB2 CYS 73 105.868 -5.011 17.718 504 HB3 CYS 73 HB1 CYS 73 104.197 -4.740 17.226 505 HG CYS 73 HG CYS 73 104.712 -4.230 19.874 506 H GLY 74 HN GLY 74 103.757 -8.149 15.560 507 HA2 GLY 74 HA2 GLY 74 106.211 -8.156 13.939 508 HA3 GLY 74 HA1 GLY 74 104.703 -8.981 13.543 509 H VAL 75 HN VAL 75 106.640 -6.439 12.684 510 HA VAL 75 HA VAL 75 104.369 -4.788 11.596 511 HB VAL 75 HB VAL 75 107.310 -4.111 11.878 512 HG11 VAL 75 HG11 VAL 75 104.879 -2.458 11.147 513 HG12 VAL 75 HG12 VAL 75 106.220 -2.872 10.078 514 HG13 VAL 75 HG13 VAL 75 106.485 -1.796 11.450 515 HG21 VAL 75 HG21 VAL 75 106.426 -4.252 14.088 516 HG22 VAL 75 HG22 VAL 75 104.893 -3.529 13.599 517 HG23 VAL 75 HG23 VAL 75 106.351 -2.539 13.672 518 H SER 76 HN SER 76 103.871 -5.829 9.681 519 HA SER 76 HA SER 76 106.045 -6.605 7.838 520 HB2 SER 76 HB2 SER 76 104.426 -8.228 7.588 521 HB3 SER 76 HB1 SER 76 103.131 -7.139 8.071 522 HG SER 76 HG SER 76 103.284 -7.823 5.764 523 H TYR 77 HN TYR 77 106.692 -5.366 6.139 524 HA TYR 77 HA TYR 77 104.935 -3.107 5.293 525 HB2 TYR 77 HB2 TYR 77 106.670 -1.526 5.396 526 HB3 TYR 77 HB1 TYR 77 106.871 -2.447 6.881 527 HD1 TYR 77 HD2 TYR 77 108.340 -4.725 6.460 528 HD2 TYR 77 HD1 TYR 77 108.646 -1.065 4.232 529 HE1 TYR 77 HE2 TYR 77 110.647 -5.323 5.787 530 HE2 TYR 77 HE1 TYR 77 110.954 -1.667 3.561 531 HH TYR 77 HH TYR 77 112.536 -3.226 3.614 532 H VAL 78 HN VAL 78 104.609 -3.084 3.161 533 HA VAL 78 HA VAL 78 106.447 -4.705 1.427 534 HB VAL 78 HB VAL 78 103.695 -3.742 0.651 535 HG11 VAL 78 HG11 VAL 78 105.025 -4.655 -1.148 536 HG12 VAL 78 HG12 VAL 78 103.797 -5.845 -0.720 537 HG13 VAL 78 HG13 VAL 78 105.459 -6.062 -0.179 538 HG21 VAL 78 HG21 VAL 78 103.136 -4.872 2.630 539 HG22 VAL 78 HG22 VAL 78 104.450 -6.033 2.458 540 HG23 VAL 78 HG23 VAL 78 103.027 -6.152 1.424 541 H VAL 79 HN VAL 79 107.976 -3.279 0.671 542 HA VAL 79 HA VAL 79 107.278 -0.528 -0.067 543 HB VAL 79 HB VAL 79 109.722 -0.636 -0.999 544 HG11 VAL 79 HG11 VAL 79 110.578 -0.669 1.463 545 HG12 VAL 79 HG12 VAL 79 108.895 -0.928 1.904 546 HG13 VAL 79 HG13 VAL 79 109.364 0.534 1.040 547 HG21 VAL 79 HG21 VAL 79 109.834 -3.079 0.789 548 HG22 VAL 79 HG22 VAL 79 111.048 -2.489 -0.341 549 HG23 VAL 79 HG23 VAL 79 109.572 -3.230 -0.949 550 H GLN 80 HN GLN 80 107.880 0.232 -2.369 551 HA GLN 80 HA GLN 80 106.750 -1.741 -4.304 552 HB2 GLN 80 HB2 GLN 80 105.799 0.657 -3.902 553 HB3 GLN 80 HB1 GLN 80 107.165 1.187 -4.882 554 HG2 GLN 80 HG2 GLN 80 105.346 0.866 -6.402 555 HG3 GLN 80 HG1 GLN 80 106.414 -0.522 -6.621 556 HE21 GLN 80 HE21 GLN 80 105.272 -2.454 -6.703 557 HE22 GLN 80 HE22 GLN 80 103.834 -2.778 -5.862 558 H GLU 81 HN GLU 81 109.469 0.631 -4.058 559 HA GLU 81 HA GLU 81 110.981 -1.136 -5.884 560 HB2 GLU 81 HB2 GLU 81 110.340 1.757 -6.427 561 HB3 GLU 81 HB1 GLU 81 111.673 0.937 -7.228 562 HG2 GLU 81 HG2 GLU 81 108.780 0.024 -7.318 563 HG3 GLU 81 HG1 GLU 81 109.590 0.929 -8.588 564 HA PRO 82 HA PRO 82 114.697 -0.506 -3.579 565 HB2 PRO 82 HB2 PRO 82 115.791 0.581 -6.139 566 HB3 PRO 82 HB1 PRO 82 116.507 -0.597 -5.021 567 HG2 PRO 82 HG2 PRO 82 115.254 -1.369 -7.324 568 HG3 PRO 82 HG1 PRO 82 115.267 -2.333 -5.861 569 HD2 PRO 82 HD2 PRO 82 112.983 -0.955 -7.065 570 HD3 PRO 82 HD1 PRO 82 113.014 -2.199 -5.805 571 H GLY 83 HN GLY 83 116.274 1.136 -2.986 572 HA2 GLY 83 HA2 GLY 83 116.674 3.710 -3.458 573 HA3 GLY 83 HA1 GLY 83 114.994 3.845 -2.937 574 H ASP 84 HN ASP 84 116.364 5.263 -1.351 575 HA ASP 84 HA ASP 84 117.406 3.644 0.924 576 HB2 ASP 84 HB2 ASP 84 118.044 5.984 1.781 577 HB3 ASP 84 HB1 ASP 84 118.914 5.403 0.362 578 H TYR 85 HN TYR 85 115.309 2.937 1.624 579 HA TYR 85 HA TYR 85 113.211 4.835 2.235 580 HB2 TYR 85 HB2 TYR 85 113.694 1.921 2.486 581 HB3 TYR 85 HB1 TYR 85 112.612 2.580 3.715 582 HD1 TYR 85 HD2 TYR 85 110.608 3.974 2.928 583 HD2 TYR 85 HD1 TYR 85 112.958 1.542 0.282 584 HE1 TYR 85 HE2 TYR 85 108.771 4.010 1.264 585 HE2 TYR 85 HE1 TYR 85 111.125 1.570 -1.381 586 HH TYR 85 HH TYR 85 108.001 3.084 -0.643 587 H GLU 86 HN GLU 86 112.985 6.001 4.059 588 HA GLU 86 HA GLU 86 114.957 5.575 6.270 589 HB2 GLU 86 HB2 GLU 86 113.577 8.118 6.518 590 HB3 GLU 86 HB1 GLU 86 115.286 7.835 6.217 591 HG2 GLU 86 HG2 GLU 86 113.241 7.732 3.990 592 HG3 GLU 86 HG1 GLU 86 114.012 9.230 4.471 593 H VAL 87 HN VAL 87 114.174 4.928 8.204 594 HA VAL 87 HA VAL 87 111.233 5.199 8.725 595 HB VAL 87 HB VAL 87 112.106 2.863 8.122 596 HG11 VAL 87 HG11 VAL 87 113.147 2.895 10.958 597 HG12 VAL 87 HG12 VAL 87 114.196 3.179 9.569 598 HG13 VAL 87 HG13 VAL 87 113.354 1.639 9.737 599 HG21 VAL 87 HG21 VAL 87 110.707 1.800 9.845 600 HG22 VAL 87 HG22 VAL 87 109.954 3.292 9.280 601 HG23 VAL 87 HG23 VAL 87 110.795 3.261 10.830 602 H SER 88 HN SER 88 110.688 5.852 10.829 603 HA SER 88 HA SER 88 112.908 6.118 12.813 604 HB2 SER 88 HB2 SER 88 112.538 8.403 13.186 605 HB3 SER 88 HB1 SER 88 112.392 8.282 11.435 606 HG SER 88 HG SER 88 110.047 7.729 12.656 607 H ILE 89 HN ILE 89 112.178 4.792 14.380 608 HA ILE 89 HA ILE 89 109.313 5.030 15.232 609 HB ILE 89 HB ILE 89 109.354 2.769 15.841 610 HG12 ILE 89 HG12 ILE 89 112.363 3.073 15.868 611 HG13 ILE 89 HG11 ILE 89 111.312 2.622 17.204 612 HG21 ILE 89 HG21 ILE 89 111.298 2.776 13.530 613 HG22 ILE 89 HG22 ILE 89 109.614 3.263 13.342 614 HG23 ILE 89 HG23 ILE 89 110.005 1.623 13.859 615 HD11 ILE 89 HD11 ILE 89 112.200 0.551 16.589 616 HD12 ILE 89 HD12 ILE 89 112.216 0.953 14.873 617 HD13 ILE 89 HD13 ILE 89 110.692 0.573 15.676 618 H LYS 90 HN LYS 90 108.887 5.619 17.317 619 HA LYS 90 HA LYS 90 111.075 5.629 19.326 620 HB2 LYS 90 HB2 LYS 90 110.467 7.909 19.987 621 HB3 LYS 90 HB1 LYS 90 111.027 7.898 18.328 622 HG2 LYS 90 HG2 LYS 90 108.348 7.476 17.927 623 HG3 LYS 90 HG1 LYS 90 108.285 8.406 19.411 624 HD2 LYS 90 HD2 LYS 90 108.193 10.048 17.717 625 HD3 LYS 90 HD1 LYS 90 109.878 10.068 18.232 626 HE2 LYS 90 HE2 LYS 90 109.145 8.206 15.997 627 HE3 LYS 90 HE1 LYS 90 109.219 9.930 15.638 628 HZ1 LYS 90 HZ1 LYS 90 111.391 9.575 15.407 629 HZ2 LYS 90 HZ2 LYS 90 111.348 8.087 16.226 630 HZ3 LYS 90 HZ3 LYS 90 111.448 9.540 17.101 631 H PHE 91 HN PHE 91 110.224 4.643 21.126 632 HA PHE 91 HA PHE 91 107.296 4.368 21.355 633 HB2 PHE 91 HB2 PHE 91 108.888 2.544 22.062 634 HB3 PHE 91 HB1 PHE 91 109.406 3.578 23.387 635 HD1 PHE 91 HD1 PHE 91 106.241 2.318 21.822 636 HD2 PHE 91 HD2 PHE 91 108.297 3.353 25.448 637 HE1 PHE 91 HE1 PHE 91 104.283 1.571 23.145 638 HE2 PHE 91 HE2 PHE 91 106.337 2.603 26.774 639 HZ PHE 91 HZ PHE 91 104.331 1.714 25.620 640 H ASN 92 HN ASN 92 106.399 6.349 21.765 641 HA ASN 92 HA ASN 92 105.731 8.173 23.061 642 HB2 ASN 92 HB2 ASN 92 106.193 6.380 24.951 643 HB3 ASN 92 HB1 ASN 92 107.609 7.375 25.282 644 HD21 ASN 92 HD21 ASN 92 105.171 7.052 26.989 645 HD22 ASN 92 HD22 ASN 92 104.528 8.613 27.173 646 H ASP 93 HN ASP 93 107.851 8.405 21.191 647 HA ASP 93 HA ASP 93 109.304 10.110 20.528 648 HB2 ASP 93 HB2 ASP 93 109.374 11.293 23.287 649 HB3 ASP 93 HB1 ASP 93 109.487 12.077 21.714 650 H GLU 94 HN GLU 94 110.058 7.582 22.305 651 HA GLU 94 HA GLU 94 112.820 8.531 22.995 652 HB2 GLU 94 HB2 GLU 94 113.122 6.496 24.235 653 HB3 GLU 94 HB1 GLU 94 111.590 7.208 24.720 654 HG2 GLU 94 HG2 GLU 94 110.775 5.110 24.370 655 HG3 GLU 94 HG1 GLU 94 110.747 5.590 22.683 656 H HIS 95 HN HIS 95 113.707 8.716 20.989 657 HA HIS 95 HA HIS 95 113.354 6.781 18.887 658 HB2 HIS 95 HB2 HIS 95 115.469 8.039 17.973 659 HB3 HIS 95 HB1 HIS 95 113.944 8.911 18.110 660 HD1 HIS 95 HD1 HIS 95 115.501 11.092 18.315 661 HD2 HIS 95 HD2 HIS 95 115.704 8.436 21.523 662 HE1 HIS 95 HE1 HIS 95 116.571 12.358 20.229 663 H ILE 96 HN ILE 96 114.050 4.738 19.215 664 HA ILE 96 HA ILE 96 116.094 3.876 20.929 665 HB ILE 96 HB ILE 96 116.255 1.881 19.321 666 HG12 ILE 96 HG12 ILE 96 113.942 3.262 17.945 667 HG13 ILE 96 HG11 ILE 96 115.594 3.394 17.342 668 HG21 ILE 96 HG21 ILE 96 114.747 1.683 21.148 669 HG22 ILE 96 HG22 ILE 96 113.788 1.286 19.724 670 HG23 ILE 96 HG23 ILE 96 113.642 2.878 20.467 671 HD11 ILE 96 HD11 ILE 96 114.300 1.541 16.263 672 HD12 ILE 96 HD12 ILE 96 114.171 0.765 17.841 673 HD13 ILE 96 HD13 ILE 96 115.753 0.982 17.092 674 HA PRO 97 HA PRO 97 119.852 5.297 19.022 675 HB2 PRO 97 HB2 PRO 97 121.375 2.872 19.384 676 HB3 PRO 97 HB1 PRO 97 121.393 4.314 20.405 677 HG2 PRO 97 HG2 PRO 97 120.138 1.722 20.947 678 HG3 PRO 97 HG1 PRO 97 120.371 3.086 22.049 679 HD2 PRO 97 HD2 PRO 97 117.900 2.256 20.907 680 HD3 PRO 97 HD1 PRO 97 118.201 3.769 21.785 681 H ASP 98 HN ASP 98 118.531 5.113 16.992 682 HA ASP 98 HA ASP 98 119.917 3.764 14.887 683 HB2 ASP 98 HB2 ASP 98 117.591 2.348 16.130 684 HB3 ASP 98 HB1 ASP 98 117.687 2.327 14.369 685 H SER 99 HN SER 99 116.538 4.548 15.691 686 HA SER 99 HA SER 99 115.872 5.562 13.176 687 HB2 SER 99 HB2 SER 99 114.837 6.106 15.940 688 HB3 SER 99 HB1 SER 99 114.159 6.965 14.561 689 HG SER 99 HG SER 99 113.647 4.498 15.398 690 HA PRO 100 HA PRO 100 115.151 6.972 11.801 691 HB2 PRO 100 HB2 PRO 100 115.854 8.848 9.897 692 HB3 PRO 100 HB1 PRO 100 114.586 9.101 11.106 693 HG2 PRO 100 HG2 PRO 100 117.247 10.370 10.941 694 HG3 PRO 100 HG1 PRO 100 115.839 10.860 11.897 695 HD2 PRO 100 HD2 PRO 100 118.203 9.430 12.811 696 HD3 PRO 100 HD1 PRO 100 116.815 9.972 13.777 697 H PHE 101 HN PHE 101 116.237 5.055 10.903 698 HA PHE 101 HA PHE 101 118.923 5.533 9.625 699 HB2 PHE 101 HB2 PHE 101 119.103 3.012 9.609 700 HB3 PHE 101 HB1 PHE 101 119.128 3.762 11.200 701 HD1 PHE 101 HD1 PHE 101 117.120 3.722 12.595 702 HD2 PHE 101 HD2 PHE 101 117.316 1.512 8.959 703 HE1 PHE 101 HE1 PHE 101 115.253 2.344 13.387 704 HE2 PHE 101 HE2 PHE 101 115.410 0.111 9.718 705 HZ PHE 101 HZ PHE 101 114.371 0.524 11.934 706 H VAL 102 HN VAL 102 119.312 4.080 7.669 707 HA VAL 102 HA VAL 102 117.053 4.506 5.796 708 HB VAL 102 HB VAL 102 119.237 5.385 5.141 709 HG11 VAL 102 HG11 VAL 102 121.128 3.852 4.743 710 HG12 VAL 102 HG12 VAL 102 120.167 2.502 5.339 711 HG13 VAL 102 HG13 VAL 102 120.629 3.805 6.433 712 HG21 VAL 102 HG21 VAL 102 119.343 4.432 2.939 713 HG22 VAL 102 HG22 VAL 102 117.654 4.355 3.439 714 HG23 VAL 102 HG23 VAL 102 118.658 2.908 3.499 715 H VAL 103 HN VAL 103 116.362 2.818 4.376 716 HA VAL 103 HA VAL 103 117.029 0.020 5.237 717 HB VAL 103 HB VAL 103 114.319 1.194 4.567 718 HG11 VAL 103 HG11 VAL 103 115.266 -1.655 4.917 719 HG12 VAL 103 HG12 VAL 103 114.333 -0.975 3.584 720 HG13 VAL 103 HG13 VAL 103 113.581 -1.197 5.162 721 HG21 VAL 103 HG21 VAL 103 113.759 0.596 6.849 722 HG22 VAL 103 HG22 VAL 103 115.237 1.558 6.884 723 HG23 VAL 103 HG23 VAL 103 115.319 -0.194 7.069 724 HA PRO 104 HA PRO 104 117.869 0.757 0.742 725 HB2 PRO 104 HB2 PRO 104 119.710 -1.506 0.866 726 HB3 PRO 104 HB1 PRO 104 120.074 0.198 0.564 727 HG2 PRO 104 HG2 PRO 104 120.676 -1.253 2.938 728 HG3 PRO 104 HG1 PRO 104 120.804 0.498 2.717 729 HD2 PRO 104 HD2 PRO 104 118.795 -1.013 4.232 730 HD3 PRO 104 HD1 PRO 104 119.095 0.737 4.234 731 H VAL 105 HN VAL 105 116.228 -0.013 -0.467 732 HA VAL 105 HA VAL 105 115.428 -2.877 -0.256 733 HB VAL 105 HB VAL 105 114.135 -0.424 -1.485 734 HG11 VAL 105 HG11 VAL 105 112.284 -1.811 -2.201 735 HG12 VAL 105 HG12 VAL 105 113.013 -3.242 -1.481 736 HG13 VAL 105 HG13 VAL 105 113.740 -2.507 -2.905 737 HG21 VAL 105 HG21 VAL 105 113.153 -2.311 0.649 738 HG22 VAL 105 HG22 VAL 105 112.493 -0.739 0.210 739 HG23 VAL 105 HG23 VAL 105 114.065 -0.843 0.998 740 H ALA 106 HN ALA 106 115.822 -4.278 -1.966 741 HA ALA 106 HA ALA 106 117.468 -3.232 -4.261 742 HB1 ALA 106 HB1 ALA 106 118.759 -5.177 -4.088 743 HB2 ALA 106 HB2 ALA 106 117.534 -6.016 -3.145 744 HB3 ALA 106 HB3 ALA 106 118.466 -4.709 -2.420 745 H SER 107 HN SER 107 116.611 -3.537 -6.288 746 HA SER 107 HA SER 107 114.375 -5.464 -6.660 747 HB2 SER 107 HB2 SER 107 113.972 -3.293 -7.685 748 HB3 SER 107 HB1 SER 107 115.542 -3.330 -8.482 749 HG SER 107 HG SER 107 114.754 -4.621 -9.951 750 H LEU 108 HN LEU 108 115.372 -7.397 -6.741 751 HA LEU 108 HA LEU 108 116.530 -9.204 -7.688 752 HB2 LEU 108 HB2 LEU 108 117.199 -7.430 -10.048 753 HB3 LEU 108 HB1 LEU 108 117.048 -9.181 -10.007 754 HG LEU 108 HG LEU 108 114.808 -7.161 -9.722 755 HD11 LEU 108 HD11 LEU 108 115.645 -7.698 -12.023 756 HD12 LEU 108 HD12 LEU 108 113.971 -8.187 -11.756 757 HD13 LEU 108 HD13 LEU 108 115.258 -9.392 -11.722 758 HD21 LEU 108 HD21 LEU 108 114.261 -8.892 -8.180 759 HD22 LEU 108 HD22 LEU 108 114.898 -10.146 -9.243 760 HD23 LEU 108 HD23 LEU 108 113.398 -9.317 -9.657 761 H SER 109 HN SER 109 117.995 -6.083 -7.316 762 HA SER 109 HA SER 109 120.729 -6.921 -7.722 763 HB2 SER 109 HB2 SER 109 119.896 -4.532 -7.773 764 HB3 SER 109 HB1 SER 109 119.802 -4.617 -6.022 765 HG SER 109 HG SER 109 122.142 -5.456 -7.313 766 H ASP 110 HN ASP 110 118.474 -7.022 -5.038 767 HA ASP 110 HA ASP 110 118.736 -7.954 -2.880 768 HB2 ASP 110 HB2 ASP 110 121.043 -9.496 -4.085 769 HB3 ASP 110 HB1 ASP 110 119.968 -9.992 -2.777 770 H ASP 111 HN ASP 111 120.592 -5.770 -4.102 771 HA ASP 111 HA ASP 111 122.005 -5.167 -1.676 772 HB2 ASP 111 HB2 ASP 111 123.479 -6.978 -2.476 773 HB3 ASP 111 HB1 ASP 111 123.680 -6.137 -4.013 774 H ALA 112 HN ALA 112 121.347 -4.562 -5.107 775 HA ALA 112 HA ALA 112 121.435 -2.518 -6.296 776 HB1 ALA 112 HB1 ALA 112 121.467 -1.123 -3.618 777 HB2 ALA 112 HB2 ALA 112 120.014 -1.938 -4.197 778 HB3 ALA 112 HB3 ALA 112 120.706 -0.606 -5.123 779 H ARG 113 HN ARG 113 122.828 -0.439 -6.479 780 HA ARG 113 HA ARG 113 125.614 -1.256 -6.049 781 HB2 ARG 113 HB2 ARG 113 124.191 0.890 -7.589 782 HB3 ARG 113 HB1 ARG 113 125.882 1.155 -7.181 783 HG2 ARG 113 HG2 ARG 113 126.590 -0.781 -8.363 784 HG3 ARG 113 HG1 ARG 113 124.951 -1.420 -8.455 785 HD2 ARG 113 HD2 ARG 113 125.861 1.130 -9.817 786 HD3 ARG 113 HD1 ARG 113 125.753 -0.436 -10.614 787 HE ARG 113 HE ARG 113 123.231 -0.072 -9.520 788 HH11 ARG 113 HH21 ARG 113 125.367 1.721 -11.545 789 HH12 ARG 113 HH22 ARG 113 124.095 2.489 -12.435 790 HH21 ARG 113 HH11 ARG 113 121.554 0.922 -10.674 791 HH22 ARG 113 HH12 ARG 113 121.938 2.038 -11.942 792 H ARG 114 HN ARG 114 126.474 -0.924 -4.100 793 HA ARG 114 HA ARG 114 125.533 1.115 -2.240 794 HB2 ARG 114 HB2 ARG 114 126.592 -1.209 -1.758 795 HB3 ARG 114 HB1 ARG 114 128.132 -0.400 -2.045 796 HG2 ARG 114 HG2 ARG 114 127.179 1.374 -0.322 797 HG3 ARG 114 HG1 ARG 114 126.132 0.050 0.164 798 HD2 ARG 114 HD2 ARG 114 129.133 0.214 0.286 799 HD3 ARG 114 HD1 ARG 114 128.010 -0.157 1.589 800 HE ARG 114 HE ARG 114 129.273 -2.047 -0.155 801 HH11 ARG 114 HH21 ARG 114 126.173 -1.333 1.188 802 HH12 ARG 114 HH22 ARG 114 125.538 -2.911 0.874 803 HH21 ARG 114 HH11 ARG 114 128.464 -4.100 -0.545 804 HH22 ARG 114 HH12 ARG 114 126.836 -4.479 -0.092 805 H LEU 115 HN LEU 115 127.135 1.491 -4.967 806 HA LEU 115 HA LEU 115 128.916 3.690 -3.962 807 HB2 LEU 115 HB2 LEU 115 129.357 2.063 -6.480 808 HB3 LEU 115 HB1 LEU 115 130.460 3.231 -5.756 809 HG LEU 115 HG LEU 115 129.565 0.668 -4.400 810 HD11 LEU 115 HD11 LEU 115 130.901 0.080 -6.323 811 HD12 LEU 115 HD12 LEU 115 131.930 -0.058 -4.898 812 HD13 LEU 115 HD13 LEU 115 132.074 1.345 -5.956 813 HD21 LEU 115 HD21 LEU 115 131.549 2.854 -3.730 814 HD22 LEU 115 HD22 LEU 115 131.674 1.245 -3.021 815 HD23 LEU 115 HD23 LEU 115 130.240 2.225 -2.730 816 H THR 116 HN THR 116 126.558 2.627 -6.322 817 HA THR 116 HA THR 116 126.515 5.340 -7.574 818 HB THR 116 HB THR 116 125.030 2.885 -8.526 819 HG1 THR 116 HG1 THR 116 126.951 3.111 -10.110 820 HG21 THR 116 HG21 THR 116 125.949 5.392 -9.955 821 HG22 THR 116 HG22 THR 116 124.313 5.123 -9.353 822 HG23 THR 116 HG23 THR 116 124.959 4.102 -10.638 823 H VAL 117 HN VAL 117 123.989 2.913 -7.073 824 HA VAL 117 HA VAL 117 122.009 4.869 -6.346 825 HB VAL 117 HB VAL 117 122.232 1.885 -5.858 826 HG11 VAL 117 HG11 VAL 117 119.698 2.125 -5.438 827 HG12 VAL 117 HG12 VAL 117 120.022 3.842 -5.198 828 HG13 VAL 117 HG13 VAL 117 120.771 2.646 -4.139 829 HG21 VAL 117 HG21 VAL 117 120.726 1.671 -7.708 830 HG22 VAL 117 HG22 VAL 117 121.971 2.810 -8.218 831 HG23 VAL 117 HG23 VAL 117 120.387 3.401 -7.717 832 H THR 118 HN THR 118 124.742 3.674 -4.919 833 HA THR 118 HA THR 118 125.541 3.476 -2.738 834 HB THR 118 HB THR 118 125.990 5.756 -3.305 835 HG1 THR 118 HG1 THR 118 125.037 6.425 -0.891 836 HG21 THR 118 HG21 THR 118 123.133 6.261 -2.435 837 HG22 THR 118 HG22 THR 118 123.851 6.569 -4.015 838 HG23 THR 118 HG23 THR 118 124.320 7.546 -2.627 839 H SER 119 HN SER 119 123.545 1.900 -2.531 840 HA SER 119 HA SER 119 122.124 0.950 -0.942 841 HB2 SER 119 HB2 SER 119 122.395 1.598 1.264 842 HB3 SER 119 HB1 SER 119 123.798 2.406 0.569 843 HG SER 119 HG SER 119 122.504 3.805 1.856 844 H1 MET 1 HT1 MET 1 125.316 12.950 -12.886 845 H2 MET 1 HT2 MET 1 124.050 12.173 -12.059 846 H3 MET 1 HT3 MET 1 125.257 11.256 -12.826 847 HA MET 1 HA MET 1 125.913 11.149 -10.634 848 HB2 MET 1 HB2 MET 1 127.234 13.542 -11.936 849 HB3 MET 1 HB1 MET 1 127.814 12.819 -10.436 850 HG2 MET 1 HG2 MET 1 128.014 10.627 -11.612 851 HG3 MET 1 HG1 MET 1 127.546 11.422 -13.115 852 HE1 MET 1 HE1 MET 1 130.200 13.725 -14.097 853 HE2 MET 1 HE2 MET 1 129.299 14.411 -12.747 854 HE3 MET 1 HE3 MET 1 128.465 13.417 -13.940 855 H ALA 2 HN ALA 2 126.005 12.101 -8.502 856 HA ALA 2 HA ALA 2 125.172 13.409 -6.750 857 HB1 ALA 2 HB1 ALA 2 126.309 15.202 -8.268 858 HB2 ALA 2 HB2 ALA 2 125.174 15.741 -7.031 859 HB3 ALA 2 HB3 ALA 2 124.660 15.641 -8.714 860 H SER 3 HN SER 3 123.358 12.548 -9.447 861 HA SER 3 HA SER 3 121.047 12.478 -9.882 862 HB2 SER 3 HB2 SER 3 120.862 12.258 -6.872 863 HB3 SER 3 HB1 SER 3 119.771 11.570 -8.071 864 HG SER 3 HG SER 3 121.550 10.291 -8.790 865 H LYS 4 HN LYS 4 119.043 13.316 -7.826 866 HA LYS 4 HA LYS 4 119.430 16.236 -7.625 867 HB2 LYS 4 HB2 LYS 4 117.347 14.925 -9.373 868 HB3 LYS 4 HB1 LYS 4 117.157 16.567 -8.759 869 HG2 LYS 4 HG2 LYS 4 119.395 17.130 -9.770 870 HG3 LYS 4 HG1 LYS 4 119.401 15.531 -10.515 871 HD2 LYS 4 HD2 LYS 4 117.428 16.033 -11.795 872 HD3 LYS 4 HD1 LYS 4 117.165 17.534 -10.904 873 HE2 LYS 4 HE2 LYS 4 118.179 18.079 -13.043 874 HE3 LYS 4 HE1 LYS 4 119.364 18.368 -11.770 875 HZ1 LYS 4 HZ1 LYS 4 120.615 16.599 -12.396 876 HZ2 LYS 4 HZ2 LYS 4 119.946 16.980 -13.910 877 HZ3 LYS 4 HZ3 LYS 4 119.296 15.712 -12.986 878 HA PRO 5 HA PRO 5 117.201 14.380 -4.041 879 HB2 PRO 5 HB2 PRO 5 117.793 16.848 -2.586 880 HB3 PRO 5 HB1 PRO 5 118.387 15.212 -2.266 881 HG2 PRO 5 HG2 PRO 5 119.904 17.374 -3.333 882 HG3 PRO 5 HG1 PRO 5 120.412 15.683 -3.234 883 HD2 PRO 5 HD2 PRO 5 119.613 17.210 -5.600 884 HD3 PRO 5 HD1 PRO 5 120.345 15.592 -5.528 885 H GLU 6 HN GLU 6 115.126 14.564 -4.922 886 HA GLU 6 HA GLU 6 113.786 17.246 -4.725 887 HB2 GLU 6 HB2 GLU 6 112.190 16.339 -6.417 888 HB3 GLU 6 HB1 GLU 6 113.841 16.428 -7.030 889 HG2 GLU 6 HG2 GLU 6 114.156 14.028 -6.453 890 HG3 GLU 6 HG1 GLU 6 112.472 13.955 -5.935 891 H LYS 7 HN LYS 7 114.161 15.294 -2.572 892 HA LYS 7 HA LYS 7 112.900 14.298 -0.861 893 HB2 LYS 7 HB2 LYS 7 110.520 15.746 -2.034 894 HB3 LYS 7 HB1 LYS 7 110.816 15.319 -0.349 895 HG2 LYS 7 HG2 LYS 7 112.403 17.332 -1.974 896 HG3 LYS 7 HG1 LYS 7 111.236 17.714 -0.710 897 HD2 LYS 7 HD2 LYS 7 112.687 16.254 0.837 898 HD3 LYS 7 HD1 LYS 7 113.918 16.356 -0.421 899 HE2 LYS 7 HE2 LYS 7 114.296 18.130 1.210 900 HE3 LYS 7 HE1 LYS 7 113.771 18.845 -0.314 901 HZ1 LYS 7 HZ1 LYS 7 112.661 19.373 2.063 902 HZ2 LYS 7 HZ2 LYS 7 111.638 18.134 1.509 903 HZ3 LYS 7 HZ3 LYS 7 111.854 19.541 0.580 904 H ARG 8 HN ARG 8 112.677 12.122 -1.201 905 HA ARG 8 HA ARG 8 111.255 10.973 -3.440 906 HB2 ARG 8 HB2 ARG 8 111.764 9.561 -0.812 907 HB3 ARG 8 HB1 ARG 8 111.733 8.878 -2.440 908 HG2 ARG 8 HG2 ARG 8 113.720 10.375 -2.958 909 HG3 ARG 8 HG1 ARG 8 113.836 10.685 -1.233 910 HD2 ARG 8 HD2 ARG 8 113.689 7.929 -1.293 911 HD3 ARG 8 HD1 ARG 8 114.597 8.263 -2.762 912 HE ARG 8 HE ARG 8 115.690 8.307 -0.178 913 HH11 ARG 8 HH21 ARG 8 115.395 10.496 -2.839 914 HH12 ARG 8 HH22 ARG 8 116.750 11.454 -2.359 915 HH21 ARG 8 HH11 ARG 8 117.457 9.547 0.439 916 HH22 ARG 8 HH12 ARG 8 117.918 10.917 -0.515 917 H VAL 9 HN VAL 9 109.295 9.452 -2.974 918 HA VAL 9 HA VAL 9 107.086 10.950 -2.086 919 HB VAL 9 HB VAL 9 107.567 7.973 -2.254 920 HG11 VAL 9 HG11 VAL 9 105.076 9.444 -1.374 921 HG12 VAL 9 HG12 VAL 9 105.906 8.129 -0.542 922 HG13 VAL 9 HG13 VAL 9 105.025 7.810 -2.036 923 HG21 VAL 9 HG21 VAL 9 105.841 9.889 -3.846 924 HG22 VAL 9 HG22 VAL 9 106.040 8.167 -4.174 925 HG23 VAL 9 HG23 VAL 9 107.409 9.263 -4.355 926 H ALA 10 HN ALA 10 105.835 10.709 -0.036 927 HA ALA 10 HA ALA 10 107.568 9.943 2.300 928 HB1 ALA 10 HB1 ALA 10 106.797 11.891 3.498 929 HB2 ALA 10 HB2 ALA 10 105.687 12.313 2.194 930 HB3 ALA 10 HB3 ALA 10 107.428 12.428 1.941 931 H SER 11 HN SER 11 106.506 9.117 4.097 932 HA SER 11 HA SER 11 103.559 8.669 3.900 933 HB2 SER 11 HB2 SER 11 104.302 6.594 3.064 934 HB3 SER 11 HB1 SER 11 105.719 6.574 4.111 935 HG SER 11 HG SER 11 103.237 6.689 5.353 936 H SER 12 HN SER 12 102.561 8.525 5.962 937 HA SER 12 HA SER 12 104.306 8.592 8.365 938 HB2 SER 12 HB2 SER 12 102.286 10.767 7.748 939 HB3 SER 12 HB1 SER 12 103.251 10.634 9.215 940 HG SER 12 HG SER 12 103.988 11.360 6.620 941 H VAL 13 HN VAL 13 103.426 7.214 9.784 942 HA VAL 13 HA VAL 13 100.642 7.282 10.525 943 HB VAL 13 HB VAL 13 100.378 6.077 8.417 944 HG11 VAL 13 HG11 VAL 13 102.736 5.251 8.326 945 HG12 VAL 13 HG12 VAL 13 101.546 3.997 7.975 946 HG13 VAL 13 HG13 VAL 13 102.321 4.059 9.558 947 HG21 VAL 13 HG21 VAL 13 99.106 4.276 9.234 948 HG22 VAL 13 HG22 VAL 13 99.173 5.364 10.618 949 HG23 VAL 13 HG23 VAL 13 100.231 3.953 10.552 950 H PHE 14 HN PHE 14 100.204 5.374 12.096 951 HA PHE 14 HA PHE 14 102.411 3.883 13.153 952 HB2 PHE 14 HB2 PHE 14 102.893 5.092 15.139 953 HB3 PHE 14 HB1 PHE 14 103.146 6.177 13.804 954 HD1 PHE 14 HD2 PHE 14 100.978 7.582 13.097 955 HD2 PHE 14 HD1 PHE 14 101.666 5.868 16.973 956 HE1 PHE 14 HE2 PHE 14 99.391 9.194 14.093 957 HE2 PHE 14 HE1 PHE 14 100.080 7.483 17.971 958 HZ PHE 14 HZ PHE 14 98.936 9.148 16.531 959 H ILE 15 HN ILE 15 101.818 3.808 15.848 960 HA ILE 15 HA ILE 15 98.918 3.286 16.136 961 HB ILE 15 HB ILE 15 99.705 0.997 17.203 962 HG12 ILE 15 HG12 ILE 15 101.821 1.336 15.073 963 HG13 ILE 15 HG11 ILE 15 102.145 1.671 16.774 964 HG21 ILE 15 HG21 ILE 15 99.620 1.381 14.195 965 HG22 ILE 15 HG22 ILE 15 98.205 1.227 15.238 966 HG23 ILE 15 HG23 ILE 15 99.318 -0.129 15.056 967 HD11 ILE 15 HD11 ILE 15 101.468 -0.622 17.365 968 HD12 ILE 15 HD12 ILE 15 102.781 -0.643 16.188 969 HD13 ILE 15 HD13 ILE 15 101.127 -0.964 15.669 970 H THR 16 HN THR 16 98.384 2.912 18.466 971 HA THR 16 HA THR 16 100.497 3.919 20.346 972 HB THR 16 HB THR 16 97.577 4.705 20.471 973 HG1 THR 16 HG1 THR 16 98.252 5.726 18.698 974 HG21 THR 16 HG21 THR 16 99.970 6.074 21.697 975 HG22 THR 16 HG22 THR 16 99.124 4.769 22.528 976 HG23 THR 16 HG23 THR 16 98.269 6.257 22.122 977 H LEU 17 HN LEU 17 100.515 2.934 22.356 978 HA LEU 17 HA LEU 17 98.698 0.584 22.683 979 HB2 LEU 17 HB2 LEU 17 101.147 1.239 24.335 980 HB3 LEU 17 HB1 LEU 17 100.338 -0.317 24.165 981 HG LEU 17 HG LEU 17 101.936 1.158 22.055 982 HD11 LEU 17 HD11 LEU 17 102.291 -1.662 23.086 983 HD12 LEU 17 HD12 LEU 17 103.057 -0.284 23.875 984 HD13 LEU 17 HD13 LEU 17 103.448 -0.669 22.199 985 HD21 LEU 17 HD21 LEU 17 100.108 0.234 20.846 986 HD22 LEU 17 HD22 LEU 17 100.069 -1.214 21.851 987 HD23 LEU 17 HD23 LEU 17 101.384 -0.975 20.700 988 H ALA 18 HN ALA 18 97.096 0.685 24.157 989 HA ALA 18 HA ALA 18 97.359 2.312 26.596 990 HB1 ALA 18 HB1 ALA 18 95.445 3.704 26.175 991 HB2 ALA 18 HB2 ALA 18 95.089 2.850 24.674 992 HB3 ALA 18 HB3 ALA 18 96.526 3.866 24.791 993 HA PRO 19 HA PRO 19 95.019 -1.652 27.046 994 HB2 PRO 19 HB2 PRO 19 95.691 -1.552 29.889 995 HB3 PRO 19 HB1 PRO 19 96.209 -2.734 28.677 996 HG2 PRO 19 HG2 PRO 19 97.836 -0.717 29.864 997 HG3 PRO 19 HG1 PRO 19 98.269 -1.747 28.491 998 HD2 PRO 19 HD2 PRO 19 97.578 1.098 28.488 999 HD3 PRO 19 HD1 PRO 19 98.242 0.124 27.159 1000 HA PRO 20 HA PRO 20 91.220 -0.073 28.599 1001 HB2 PRO 20 HB2 PRO 20 90.600 -2.118 30.546 1002 HB3 PRO 20 HB1 PRO 20 89.991 -1.978 28.891 1003 HG2 PRO 20 HG2 PRO 20 91.973 -3.853 29.923 1004 HG3 PRO 20 HG1 PRO 20 91.252 -3.801 28.308 1005 HD2 PRO 20 HD2 PRO 20 93.932 -3.075 29.010 1006 HD3 PRO 20 HD1 PRO 20 93.144 -2.861 27.433 1007 H ARG 21 HN ARG 21 93.764 -0.789 30.859 1008 HA ARG 21 HA ARG 21 92.565 0.262 33.236 1009 HB2 ARG 21 HB2 ARG 21 95.480 0.245 32.389 1010 HB3 ARG 21 HB1 ARG 21 94.902 0.586 34.022 1011 HG2 ARG 21 HG2 ARG 21 93.688 -1.710 33.838 1012 HG3 ARG 21 HG1 ARG 21 94.781 -2.010 32.487 1013 HD2 ARG 21 HD2 ARG 21 95.912 -2.903 34.370 1014 HD3 ARG 21 HD1 ARG 21 96.675 -1.335 34.105 1015 HE ARG 21 HE ARG 21 94.627 -0.785 35.891 1016 HH11 ARG 21 HH21 ARG 21 97.274 -2.990 35.711 1017 HH12 ARG 21 HH22 ARG 21 97.497 -3.067 37.426 1018 HH21 ARG 21 HH11 ARG 21 94.904 -0.878 38.133 1019 HH22 ARG 21 HH12 ARG 21 96.157 -1.873 38.797 1020 H ARG 22 HN ARG 22 95.104 2.217 33.267 1021 HA ARG 22 HA ARG 22 95.356 4.540 33.077 1022 HB2 ARG 22 HB2 ARG 22 95.184 3.772 30.604 1023 HB3 ARG 22 HB1 ARG 22 93.537 4.398 30.667 1024 HG2 ARG 22 HG2 ARG 22 94.469 6.594 31.458 1025 HG3 ARG 22 HG1 ARG 22 96.089 5.948 31.200 1026 HD2 ARG 22 HD2 ARG 22 95.742 5.740 28.851 1027 HD3 ARG 22 HD1 ARG 22 94.003 5.974 29.011 1028 HE ARG 22 HE ARG 22 95.092 8.323 30.011 1029 HH11 ARG 22 HH21 ARG 22 95.367 6.454 27.127 1030 HH12 ARG 22 HH22 ARG 22 95.671 7.823 26.110 1031 HH21 ARG 22 HH11 ARG 22 95.489 10.122 28.698 1032 HH22 ARG 22 HH12 ARG 22 95.739 9.899 26.999 1033 H ASP 23 HN ASP 23 93.323 3.655 34.817 1034 HA ASP 23 HA ASP 23 90.899 5.230 34.281 1035 HB2 ASP 23 HB2 ASP 23 90.347 4.470 36.675 1036 HB3 ASP 23 HB1 ASP 23 90.509 3.199 35.461 1037 H VAL 24 HN VAL 24 93.170 5.204 37.057 1038 HA VAL 24 HA VAL 24 92.442 7.734 38.074 1039 HB VAL 24 HB VAL 24 93.893 6.100 39.268 1040 HG11 VAL 24 HG11 VAL 24 96.118 7.108 37.482 1041 HG12 VAL 24 HG12 VAL 24 95.259 5.600 37.168 1042 HG13 VAL 24 HG13 VAL 24 96.185 5.794 38.657 1043 HG21 VAL 24 HG21 VAL 24 95.314 8.750 38.882 1044 HG22 VAL 24 HG22 VAL 24 95.296 7.743 40.330 1045 HG23 VAL 24 HG23 VAL 24 93.830 8.580 39.821 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 121.146 10.212 46.998 2 H2 GLY 1 HT2 GLY 1 120.529 10.902 45.574 3 H3 GLY 1 HT3 GLY 1 122.208 10.794 45.808 4 HA2 GLY 1 HA2 GLY 1 120.396 8.350 45.751 5 HA3 GLY 1 HA1 GLY 1 121.263 9.026 44.342 6 H ILE 2 HN ILE 2 121.707 6.511 44.766 7 HA ILE 2 HA ILE 2 124.404 6.813 43.783 8 HB ILE 2 HB ILE 2 125.144 5.037 45.675 9 HG12 ILE 2 HG12 ILE 2 124.172 5.611 47.861 10 HG13 ILE 2 HG11 ILE 2 123.071 6.749 47.092 11 HG21 ILE 2 HG21 ILE 2 126.075 7.410 45.178 12 HG22 ILE 2 HG22 ILE 2 126.331 6.728 46.778 13 HG23 ILE 2 HG23 ILE 2 125.067 7.925 46.530 14 HD11 ILE 2 HD11 ILE 2 121.916 4.989 45.945 15 HD12 ILE 2 HD12 ILE 2 122.096 4.454 47.614 16 HD13 ILE 2 HD13 ILE 2 123.161 3.812 46.364 17 HA PRO 3 HA PRO 3 121.486 3.113 42.800 18 HB2 PRO 3 HB2 PRO 3 121.426 3.925 40.051 19 HB3 PRO 3 HB1 PRO 3 120.086 3.981 41.204 20 HG2 PRO 3 HG2 PRO 3 121.753 6.207 40.202 21 HG3 PRO 3 HG1 PRO 3 120.175 6.270 41.004 22 HD2 PRO 3 HD2 PRO 3 122.604 7.009 42.198 23 HD3 PRO 3 HD1 PRO 3 121.113 6.582 43.069 24 H GLU 4 HN GLU 4 123.298 4.285 40.026 25 HA GLU 4 HA GLU 4 125.266 3.384 39.015 26 HB2 GLU 4 HB2 GLU 4 125.932 3.191 41.650 27 HB3 GLU 4 HB1 GLU 4 125.775 1.474 41.289 28 HG2 GLU 4 HG2 GLU 4 128.068 2.057 40.883 29 HG3 GLU 4 HG1 GLU 4 127.311 1.864 39.301 30 H PHE 5 HN PHE 5 122.712 1.832 40.457 31 HA PHE 5 HA PHE 5 122.818 -0.710 38.996 32 HB2 PHE 5 HB2 PHE 5 121.271 0.586 41.253 33 HB3 PHE 5 HB1 PHE 5 120.401 -0.617 40.269 34 HD1 PHE 5 HD1 PHE 5 124.035 -0.560 41.126 35 HD2 PHE 5 HD2 PHE 5 120.241 -2.482 41.736 36 HE1 PHE 5 HE1 PHE 5 125.160 -2.389 42.366 37 HE2 PHE 5 HE2 PHE 5 121.367 -4.310 42.977 38 HZ PHE 5 HZ PHE 5 123.826 -4.264 43.292 39 H PHE 6 HN PHE 6 122.666 2.163 38.071 40 HA PHE 6 HA PHE 6 121.504 3.551 36.653 41 HB2 PHE 6 HB2 PHE 6 120.542 2.407 34.638 42 HB3 PHE 6 HB1 PHE 6 122.207 1.950 34.992 43 HD1 PHE 6 HD2 PHE 6 122.750 -0.257 35.924 44 HD2 PHE 6 HD1 PHE 6 118.709 0.810 34.927 45 HE1 PHE 6 HE2 PHE 6 122.087 -2.642 36.055 46 HE2 PHE 6 HE1 PHE 6 118.048 -1.575 35.059 47 HZ PHE 6 HZ PHE 6 119.736 -3.301 35.622 48 H GLN 7 HN GLN 7 119.040 2.881 35.250 49 HA GLN 7 HA GLN 7 116.700 2.742 35.625 50 HB2 GLN 7 HB2 GLN 7 117.439 1.354 37.813 51 HB3 GLN 7 HB1 GLN 7 117.013 2.859 38.624 52 HG2 GLN 7 HG2 GLN 7 114.798 2.776 37.393 53 HG3 GLN 7 HG1 GLN 7 115.231 1.145 36.877 54 HE21 GLN 7 HE21 GLN 7 113.040 2.017 38.772 55 HE22 GLN 7 HE22 GLN 7 113.342 1.173 40.213 56 H PHE 8 HN PHE 8 119.104 4.717 36.686 57 HA PHE 8 HA PHE 8 117.433 7.093 36.418 58 HB2 PHE 8 HB2 PHE 8 117.315 6.596 38.866 59 HB3 PHE 8 HB1 PHE 8 119.077 6.668 38.928 60 HD1 PHE 8 HD2 PHE 8 120.264 8.807 38.429 61 HD2 PHE 8 HD1 PHE 8 115.985 8.593 38.742 62 HE1 PHE 8 HE2 PHE 8 120.158 11.273 38.664 63 HE2 PHE 8 HE1 PHE 8 115.879 11.059 38.977 64 HZ PHE 8 HZ PHE 8 117.965 12.400 38.939 65 H THR 9 HN THR 9 120.539 5.634 36.970 66 HA THR 9 HA THR 9 121.939 7.952 35.740 67 HB THR 9 HB THR 9 123.015 5.329 36.837 68 HG1 THR 9 HG1 THR 9 123.481 7.757 38.087 69 HG21 THR 9 HG21 THR 9 124.306 7.811 35.718 70 HG22 THR 9 HG22 THR 9 124.670 6.119 35.373 71 HG23 THR 9 HG23 THR 9 125.151 6.827 36.913 72 H VAL 10 HN VAL 10 120.126 5.475 34.806 73 HA VAL 10 HA VAL 10 121.416 3.872 32.979 74 HB VAL 10 HB VAL 10 118.970 3.842 33.465 75 HG11 VAL 10 HG11 VAL 10 118.735 6.040 31.407 76 HG12 VAL 10 HG12 VAL 10 118.773 6.378 33.137 77 HG13 VAL 10 HG13 VAL 10 117.479 5.392 32.459 78 HG21 VAL 10 HG21 VAL 10 119.822 3.963 30.557 79 HG22 VAL 10 HG22 VAL 10 118.270 3.328 31.099 80 HG23 VAL 10 HG23 VAL 10 119.766 2.536 31.591 81 H GLY 11 HN GLY 11 120.325 7.199 32.450 82 HA2 GLY 11 HA2 GLY 11 122.137 8.550 31.185 83 HA3 GLY 11 HA1 GLY 11 121.955 7.333 29.932 84 HA PRO 12 HA PRO 12 118.609 9.702 28.245 85 HB2 PRO 12 HB2 PRO 12 116.864 7.633 27.462 86 HB3 PRO 12 HB1 PRO 12 118.233 8.227 26.512 87 HG2 PRO 12 HG2 PRO 12 118.014 5.731 28.115 88 HG3 PRO 12 HG1 PRO 12 119.058 6.082 26.730 89 HD2 PRO 12 HD2 PRO 12 119.914 5.988 29.399 90 HD3 PRO 12 HD1 PRO 12 120.784 6.788 28.072 91 H LEU 13 HN LEU 13 118.573 9.093 31.116 92 HA LEU 13 HA LEU 13 117.136 8.818 32.963 93 HB2 LEU 13 HB2 LEU 13 114.945 10.450 32.322 94 HB3 LEU 13 HB1 LEU 13 116.437 10.987 33.072 95 HG LEU 13 HG LEU 13 115.941 10.918 30.080 96 HD11 LEU 13 HD11 LEU 13 115.902 13.431 30.393 97 HD12 LEU 13 HD12 LEU 13 115.770 13.133 32.126 98 HD13 LEU 13 HD13 LEU 13 114.505 12.567 31.035 99 HD21 LEU 13 HD21 LEU 13 118.182 11.255 29.901 100 HD22 LEU 13 HD22 LEU 13 118.373 11.178 31.647 101 HD23 LEU 13 HD23 LEU 13 118.045 12.720 30.863 102 H GLY 14 HN GLY 14 116.823 6.826 30.911 103 HA2 GLY 14 HA2 GLY 14 115.392 4.981 30.583 104 HA3 GLY 14 HA1 GLY 14 114.288 5.692 31.763 105 H GLU 15 HN GLU 15 113.920 8.203 30.532 106 HA GLU 15 HA GLU 15 112.425 9.169 29.001 107 HB2 GLU 15 HB2 GLU 15 114.522 8.521 27.618 108 HB3 GLU 15 HB1 GLU 15 113.532 7.197 27.005 109 HG2 GLU 15 HG2 GLU 15 113.307 9.036 25.458 110 HG3 GLU 15 HG1 GLU 15 111.795 8.935 26.356 111 H GLY 16 HN GLY 16 111.989 6.263 30.248 112 HA2 GLY 16 HA2 GLY 16 110.219 4.751 30.305 113 HA3 GLY 16 HA1 GLY 16 109.250 6.025 29.565 114 H GLY 17 HN GLY 17 110.303 2.933 29.109 115 HA2 GLY 17 HA2 GLY 17 109.707 1.626 27.183 116 HA3 GLY 17 HA1 GLY 17 109.715 3.080 26.201 117 H ALA 18 HN ALA 18 112.063 4.179 26.434 118 HA ALA 18 HA ALA 18 113.826 2.723 24.853 119 HB1 ALA 18 HB1 ALA 18 115.356 4.435 25.207 120 HB2 ALA 18 HB2 ALA 18 115.039 4.510 26.942 121 HB3 ALA 18 HB3 ALA 18 113.896 5.215 25.808 122 H HIS 19 HN HIS 19 113.051 2.081 28.099 123 HA HIS 19 HA HIS 19 115.611 0.661 28.618 124 HB2 HIS 19 HB2 HIS 19 114.805 2.053 30.427 125 HB3 HIS 19 HB1 HIS 19 113.221 1.280 30.370 126 HD1 HIS 19 HD1 HIS 19 112.921 -0.572 32.007 127 HD2 HIS 19 HD2 HIS 19 116.940 -0.034 31.037 128 HE1 HIS 19 HE1 HIS 19 114.226 -2.219 33.421 129 H LYS 20 HN LYS 20 112.567 -0.051 27.307 130 HA LYS 20 HA LYS 20 113.083 -2.955 27.698 131 HB2 LYS 20 HB2 LYS 20 110.724 -3.356 28.315 132 HB3 LYS 20 HB1 LYS 20 111.557 -2.365 29.509 133 HG2 LYS 20 HG2 LYS 20 109.797 -0.920 29.284 134 HG3 LYS 20 HG1 LYS 20 110.563 -0.432 27.776 135 HD2 LYS 20 HD2 LYS 20 109.255 -2.369 26.688 136 HD3 LYS 20 HD1 LYS 20 108.320 -2.413 28.182 137 HE2 LYS 20 HE2 LYS 20 107.065 -0.970 26.816 138 HE3 LYS 20 HE1 LYS 20 108.009 0.142 27.803 139 HZ1 LYS 20 HZ1 LYS 20 108.543 0.987 25.803 140 HZ2 LYS 20 HZ2 LYS 20 108.209 -0.455 24.969 141 HZ3 LYS 20 HZ3 LYS 20 109.686 -0.266 25.786 142 H VAL 21 HN VAL 21 112.586 -0.537 25.578 143 HA VAL 21 HA VAL 21 110.639 -1.840 23.824 144 HB VAL 21 HB VAL 21 111.075 0.659 23.864 145 HG11 VAL 21 HG11 VAL 21 113.656 0.205 23.880 146 HG12 VAL 21 HG12 VAL 21 113.035 1.577 22.966 147 HG13 VAL 21 HG13 VAL 21 113.475 0.092 22.128 148 HG21 VAL 21 HG21 VAL 21 109.901 -0.437 21.994 149 HG22 VAL 21 HG22 VAL 21 111.447 -0.776 21.215 150 HG23 VAL 21 HG23 VAL 21 110.903 0.891 21.407 151 H ARG 22 HN ARG 22 111.125 -3.636 22.790 152 HA ARG 22 HA ARG 22 113.960 -4.184 22.000 153 HB2 ARG 22 HB2 ARG 22 112.859 -5.763 23.585 154 HB3 ARG 22 HB1 ARG 22 111.618 -6.066 22.378 155 HG2 ARG 22 HG2 ARG 22 113.093 -7.855 22.012 156 HG3 ARG 22 HG1 ARG 22 113.654 -6.691 20.820 157 HD2 ARG 22 HD2 ARG 22 115.529 -7.689 22.109 158 HD3 ARG 22 HD1 ARG 22 115.430 -5.946 22.339 159 HE ARG 22 HE ARG 22 113.929 -6.980 24.429 160 HH11 ARG 22 HH21 ARG 22 117.096 -7.435 23.148 161 HH12 ARG 22 HH22 ARG 22 117.805 -7.823 24.680 162 HH21 ARG 22 HH11 ARG 22 114.835 -7.484 26.437 163 HH22 ARG 22 HH12 ARG 22 116.524 -7.851 26.543 164 H ALA 23 HN ALA 23 114.418 -4.579 19.869 165 HA ALA 23 HA ALA 23 112.224 -4.994 17.925 166 HB1 ALA 23 HB1 ALA 23 112.615 -2.492 18.148 167 HB2 ALA 23 HB2 ALA 23 112.855 -3.137 16.524 168 HB3 ALA 23 HB3 ALA 23 114.248 -2.769 17.541 169 H GLY 24 HN GLY 24 112.942 -6.803 16.915 170 HA2 GLY 24 HA2 GLY 24 115.696 -6.815 15.796 171 HA3 GLY 24 HA1 GLY 24 115.264 -8.134 16.884 172 H GLY 25 HN GLY 25 115.666 -7.689 13.759 173 HA2 GLY 25 HA2 GLY 25 114.051 -9.899 12.964 174 HA3 GLY 25 HA1 GLY 25 113.227 -8.412 12.505 175 H THR 26 HN THR 26 113.914 -9.951 10.434 176 HA THR 26 HA THR 26 116.595 -9.324 9.439 177 HB THR 26 HB THR 26 115.593 -10.314 7.280 178 HG1 THR 26 HG1 THR 26 113.663 -11.660 8.352 179 HG21 THR 26 HG21 THR 26 116.992 -11.649 8.748 180 HG22 THR 26 HG22 THR 26 115.613 -12.626 8.244 181 HG23 THR 26 HG23 THR 26 115.644 -11.909 9.855 182 H GLY 27 HN GLY 27 113.444 -7.889 9.351 183 HA2 GLY 27 HA2 GLY 27 113.788 -6.310 6.961 184 HA3 GLY 27 HA1 GLY 27 112.633 -5.978 8.257 185 H LEU 28 HN LEU 28 115.107 -6.187 10.102 186 HA LEU 28 HA LEU 28 115.771 -3.297 9.942 187 HB2 LEU 28 HB2 LEU 28 116.754 -5.187 12.080 188 HB3 LEU 28 HB1 LEU 28 116.404 -3.464 12.195 189 HG LEU 28 HG LEU 28 114.393 -5.709 11.919 190 HD11 LEU 28 HD11 LEU 28 115.488 -5.149 14.181 191 HD12 LEU 28 HD12 LEU 28 113.726 -5.141 14.128 192 HD13 LEU 28 HD13 LEU 28 114.617 -3.619 14.092 193 HD21 LEU 28 HD21 LEU 28 113.488 -3.930 10.627 194 HD22 LEU 28 HD22 LEU 28 114.105 -2.706 11.732 195 HD23 LEU 28 HD23 LEU 28 112.760 -3.728 12.217 196 H GLU 29 HN GLU 29 116.850 -5.277 8.013 197 HA GLU 29 HA GLU 29 119.740 -4.695 8.452 198 HB2 GLU 29 HB2 GLU 29 118.898 -7.404 7.432 199 HB3 GLU 29 HB1 GLU 29 120.425 -6.920 8.172 200 HG2 GLU 29 HG2 GLU 29 119.123 -6.507 10.318 201 HG3 GLU 29 HG1 GLU 29 117.750 -7.290 9.537 202 H ARG 30 HN ARG 30 117.244 -5.903 6.185 203 HA ARG 30 HA ARG 30 118.056 -4.081 4.120 204 HB2 ARG 30 HB2 ARG 30 118.917 -5.921 2.536 205 HB3 ARG 30 HB1 ARG 30 120.022 -5.378 3.799 206 HG2 ARG 30 HG2 ARG 30 119.508 -7.285 5.177 207 HG3 ARG 30 HG1 ARG 30 118.193 -7.771 4.109 208 HD2 ARG 30 HD2 ARG 30 121.032 -7.550 3.106 209 HD3 ARG 30 HD1 ARG 30 120.435 -9.025 3.864 210 HE ARG 30 HE ARG 30 118.531 -8.457 1.933 211 HH11 ARG 30 HH21 ARG 30 121.956 -8.822 2.046 212 HH12 ARG 30 HH22 ARG 30 122.079 -9.432 0.430 213 HH21 ARG 30 HH11 ARG 30 118.669 -9.252 -0.179 214 HH22 ARG 30 HH12 ARG 30 120.218 -9.675 -0.831 215 H GLY 31 HN GLY 31 117.014 -4.777 1.939 216 HA2 GLY 31 HA2 GLY 31 114.756 -6.661 2.226 217 HA3 GLY 31 HA1 GLY 31 114.333 -4.968 1.957 218 H VAL 32 HN VAL 32 113.496 -6.541 -0.038 219 HA VAL 32 HA VAL 32 115.463 -5.997 -2.226 220 HB VAL 32 HB VAL 32 113.965 -8.553 -1.669 221 HG11 VAL 32 HG11 VAL 32 115.216 -7.608 -4.258 222 HG12 VAL 32 HG12 VAL 32 113.567 -8.165 -4.011 223 HG13 VAL 32 HG13 VAL 32 114.905 -9.306 -3.913 224 HG21 VAL 32 HG21 VAL 32 116.307 -8.068 -0.749 225 HG22 VAL 32 HG22 VAL 32 116.860 -8.155 -2.420 226 HG23 VAL 32 HG23 VAL 32 116.114 -9.561 -1.666 227 H ALA 33 HN ALA 33 114.567 -5.561 -4.249 228 HA ALA 33 HA ALA 33 112.382 -3.888 -4.426 229 HB1 ALA 33 HB1 ALA 33 112.869 -3.866 -6.663 230 HB2 ALA 33 HB2 ALA 33 112.706 -5.616 -6.818 231 HB3 ALA 33 HB3 ALA 33 114.199 -4.924 -6.202 232 H GLY 34 HN GLY 34 110.342 -4.183 -3.905 233 HA2 GLY 34 HA2 GLY 34 108.218 -5.106 -3.684 234 HA3 GLY 34 HA1 GLY 34 108.551 -5.851 -5.242 235 H VAL 35 HN VAL 35 109.906 -6.385 -1.971 236 HA VAL 35 HA VAL 35 109.058 -9.234 -2.216 237 HB VAL 35 HB VAL 35 111.709 -8.063 -1.431 238 HG11 VAL 35 HG11 VAL 35 112.286 -10.398 -0.567 239 HG12 VAL 35 HG12 VAL 35 110.551 -10.696 -0.488 240 HG13 VAL 35 HG13 VAL 35 111.271 -9.420 0.492 241 HG21 VAL 35 HG21 VAL 35 110.857 -10.449 -3.102 242 HG22 VAL 35 HG22 VAL 35 112.520 -9.917 -2.873 243 HG23 VAL 35 HG23 VAL 35 111.374 -8.885 -3.728 244 HA PRO 36 HA PRO 36 106.965 -8.036 1.584 245 HB2 PRO 36 HB2 PRO 36 106.819 -10.804 2.483 246 HB3 PRO 36 HB1 PRO 36 105.510 -9.775 1.886 247 HG2 PRO 36 HG2 PRO 36 106.780 -11.964 0.503 248 HG3 PRO 36 HG1 PRO 36 105.499 -10.905 -0.105 249 HD2 PRO 36 HD2 PRO 36 108.272 -10.946 -0.909 250 HD3 PRO 36 HD1 PRO 36 106.989 -9.861 -1.490 251 H ALA 37 HN ALA 37 108.127 -7.207 3.241 252 HA ALA 37 HA ALA 37 110.257 -8.907 4.517 253 HB1 ALA 37 HB1 ALA 37 111.320 -7.174 3.121 254 HB2 ALA 37 HB2 ALA 37 111.584 -6.838 4.832 255 HB3 ALA 37 HB3 ALA 37 110.370 -5.929 3.931 256 H GLU 38 HN GLU 38 110.348 -8.714 6.798 257 HA GLU 38 HA GLU 38 108.603 -6.728 8.108 258 HB2 GLU 38 HB2 GLU 38 107.175 -8.283 9.206 259 HB3 GLU 38 HB1 GLU 38 107.197 -8.801 7.520 260 HG2 GLU 38 HG2 GLU 38 109.167 -10.341 8.263 261 HG3 GLU 38 HG1 GLU 38 108.585 -10.031 9.904 262 H PHE 39 HN PHE 39 108.784 -6.813 10.462 263 HA PHE 39 HA PHE 39 111.174 -8.223 11.489 264 HB2 PHE 39 HB2 PHE 39 111.706 -6.019 12.776 265 HB3 PHE 39 HB1 PHE 39 112.228 -6.152 11.100 266 HD1 PHE 39 HD2 PHE 39 110.506 -5.327 9.310 267 HD2 PHE 39 HD1 PHE 39 110.457 -4.135 13.425 268 HE1 PHE 39 HE2 PHE 39 109.210 -3.301 8.701 269 HE2 PHE 39 HE1 PHE 39 109.170 -2.102 12.820 270 HZ PHE 39 HZ PHE 39 108.546 -1.686 10.459 271 H SER 40 HN SER 40 111.170 -7.657 13.996 272 HA SER 40 HA SER 40 108.328 -7.935 14.929 273 HB2 SER 40 HB2 SER 40 110.841 -9.324 15.885 274 HB3 SER 40 HB1 SER 40 109.319 -9.353 16.772 275 HG SER 40 HG SER 40 109.435 -10.036 14.038 276 H ILE 41 HN ILE 41 107.733 -6.773 16.719 277 HA ILE 41 HA ILE 41 109.806 -5.234 18.216 278 HB ILE 41 HB ILE 41 107.333 -4.099 16.870 279 HG12 ILE 41 HG12 ILE 41 110.217 -3.166 16.837 280 HG13 ILE 41 HG11 ILE 41 109.542 -4.255 15.626 281 HG21 ILE 41 HG21 ILE 41 109.041 -2.990 19.110 282 HG22 ILE 41 HG22 ILE 41 107.287 -3.167 19.072 283 HG23 ILE 41 HG23 ILE 41 108.072 -1.953 18.064 284 HD11 ILE 41 HD11 ILE 41 109.544 -1.722 15.091 285 HD12 ILE 41 HD12 ILE 41 108.222 -1.611 16.251 286 HD13 ILE 41 HD13 ILE 41 108.048 -2.614 14.811 287 H TRP 42 HN TRP 42 109.493 -5.588 20.333 288 HA TRP 42 HA TRP 42 106.724 -6.185 21.333 289 HB2 TRP 42 HB2 TRP 42 107.708 -8.303 21.440 290 HB3 TRP 42 HB1 TRP 42 109.317 -7.654 21.723 291 HD1 TRP 42 HD1 TRP 42 105.988 -7.250 23.676 292 HE1 TRP 42 HE1 TRP 42 106.453 -7.781 26.157 293 HE3 TRP 42 HE3 TRP 42 110.939 -8.469 23.406 294 HZ2 TRP 42 HZ2 TRP 42 108.635 -8.614 27.807 295 HZ3 TRP 42 HZ3 TRP 42 112.185 -9.127 25.445 296 HH2 TRP 42 HH2 TRP 42 111.040 -9.201 27.643 297 H THR 43 HN THR 43 106.135 -4.770 22.887 298 HA THR 43 HA THR 43 108.140 -3.686 24.773 299 HB THR 43 HB THR 43 108.366 -1.930 23.245 300 HG1 THR 43 HG1 THR 43 106.100 -0.752 24.183 301 HG21 THR 43 HG21 THR 43 106.351 -1.036 21.975 302 HG22 THR 43 HG22 THR 43 105.460 -2.434 22.578 303 HG23 THR 43 HG23 THR 43 106.862 -2.666 21.535 304 H ARG 44 HN ARG 44 107.173 -3.970 26.726 305 HA ARG 44 HA ARG 44 104.566 -2.882 27.307 306 HB2 ARG 44 HB2 ARG 44 103.587 -5.199 27.925 307 HB3 ARG 44 HB1 ARG 44 103.599 -4.747 26.220 308 HG2 ARG 44 HG2 ARG 44 105.503 -6.098 25.765 309 HG3 ARG 44 HG1 ARG 44 105.859 -6.307 27.480 310 HD2 ARG 44 HD2 ARG 44 103.286 -7.288 26.229 311 HD3 ARG 44 HD1 ARG 44 104.732 -8.292 26.328 312 HE ARG 44 HE ARG 44 104.364 -7.391 28.926 313 HH11 ARG 44 HH21 ARG 44 102.461 -8.975 26.526 314 HH12 ARG 44 HH22 ARG 44 101.508 -9.856 27.673 315 HH21 ARG 44 HH11 ARG 44 103.130 -8.533 30.437 316 HH22 ARG 44 HH12 ARG 44 101.886 -9.605 29.887 317 H GLU 45 HN GLU 45 106.347 -2.067 28.814 318 HA GLU 45 HA GLU 45 106.162 -3.567 31.337 319 HB2 GLU 45 HB2 GLU 45 108.255 -4.368 30.005 320 HB3 GLU 45 HB1 GLU 45 108.931 -2.790 30.405 321 HG2 GLU 45 HG2 GLU 45 108.432 -3.266 32.826 322 HG3 GLU 45 HG1 GLU 45 107.962 -4.900 32.355 323 H ALA 46 HN ALA 46 107.630 -0.780 29.639 324 HA ALA 46 HA ALA 46 107.879 0.825 32.012 325 HB1 ALA 46 HB1 ALA 46 109.012 1.221 29.741 326 HB2 ALA 46 HB2 ALA 46 108.375 2.645 30.560 327 HB3 ALA 46 HB3 ALA 46 107.479 1.921 29.225 328 H GLY 47 HN GLY 47 105.478 0.954 29.363 329 HA2 GLY 47 HA2 GLY 47 103.126 1.003 30.715 330 HA3 GLY 47 HA1 GLY 47 103.724 2.635 31.017 331 H ALA 48 HN ALA 48 101.348 1.976 29.493 332 HA ALA 48 HA ALA 48 101.691 1.943 26.701 333 HB1 ALA 48 HB1 ALA 48 99.589 3.634 28.063 334 HB2 ALA 48 HB2 ALA 48 99.508 1.872 28.067 335 HB3 ALA 48 HB3 ALA 48 99.466 2.753 26.539 336 H GLY 49 HN GLY 49 101.636 3.716 25.151 337 HA2 GLY 49 HA2 GLY 49 102.046 6.457 25.956 338 HA3 GLY 49 HA1 GLY 49 103.578 5.696 25.516 339 H GLY 50 HN GLY 50 104.102 5.726 23.371 340 HA2 GLY 50 HA2 GLY 50 102.003 5.527 21.329 341 HA3 GLY 50 HA1 GLY 50 102.827 7.087 21.376 342 H LEU 51 HN LEU 51 102.982 5.376 19.143 343 HA LEU 51 HA LEU 51 105.916 4.836 19.107 344 HB2 LEU 51 HB2 LEU 51 104.628 2.672 19.499 345 HB3 LEU 51 HB1 LEU 51 103.869 2.935 17.931 346 HG LEU 51 HG LEU 51 106.355 3.179 17.069 347 HD11 LEU 51 HD11 LEU 51 107.886 1.658 18.353 348 HD12 LEU 51 HD12 LEU 51 106.692 1.609 19.647 349 HD13 LEU 51 HD13 LEU 51 107.477 3.131 19.228 350 HD21 LEU 51 HD21 LEU 51 105.196 0.493 17.887 351 HD22 LEU 51 HD22 LEU 51 106.429 0.745 16.651 352 HD23 LEU 51 HD23 LEU 51 104.799 1.375 16.412 353 H SER 52 HN SER 52 106.271 6.613 17.790 354 HA SER 52 HA SER 52 104.622 7.031 15.384 355 HB2 SER 52 HB2 SER 52 107.122 8.505 16.222 356 HB3 SER 52 HB1 SER 52 105.892 9.049 15.086 357 HG SER 52 HG SER 52 105.238 8.379 17.747 358 H ILE 53 HN ILE 53 105.373 6.632 13.238 359 HA ILE 53 HA ILE 53 108.127 5.511 12.985 360 HB ILE 53 HB ILE 53 105.774 4.282 11.546 361 HG12 ILE 53 HG12 ILE 53 106.917 3.510 14.250 362 HG13 ILE 53 HG11 ILE 53 105.277 4.074 13.930 363 HG21 ILE 53 HG21 ILE 53 108.391 3.021 12.371 364 HG22 ILE 53 HG22 ILE 53 108.239 3.944 10.876 365 HG23 ILE 53 HG23 ILE 53 107.268 2.492 11.119 366 HD11 ILE 53 HD11 ILE 53 105.099 1.705 14.053 367 HD12 ILE 53 HD12 ILE 53 106.549 1.469 13.077 368 HD13 ILE 53 HD13 ILE 53 105.072 2.078 12.329 369 H ALA 54 HN ALA 54 108.925 7.243 11.798 370 HA ALA 54 HA ALA 54 107.364 8.214 9.454 371 HB1 ALA 54 HB1 ALA 54 108.451 9.791 11.177 372 HB2 ALA 54 HB2 ALA 54 108.776 10.127 9.476 373 HB3 ALA 54 HB3 ALA 54 109.993 9.319 10.463 374 H VAL 55 HN VAL 55 107.727 6.881 7.741 375 HA VAL 55 HA VAL 55 110.467 5.822 7.271 376 HB VAL 55 HB VAL 55 108.232 5.131 5.401 377 HG11 VAL 55 HG11 VAL 55 110.588 4.159 5.384 378 HG12 VAL 55 HG12 VAL 55 109.276 2.981 5.416 379 HG13 VAL 55 HG13 VAL 55 110.170 3.344 6.892 380 HG21 VAL 55 HG21 VAL 55 107.429 3.404 7.091 381 HG22 VAL 55 HG22 VAL 55 106.977 5.069 7.455 382 HG23 VAL 55 HG23 VAL 55 108.312 4.308 8.321 383 H GLU 56 HN GLU 56 111.615 6.292 5.349 384 HA GLU 56 HA GLU 56 110.358 8.190 3.429 385 HB2 GLU 56 HB2 GLU 56 111.578 9.561 5.125 386 HB3 GLU 56 HB1 GLU 56 113.046 8.683 4.752 387 HG2 GLU 56 HG2 GLU 56 113.221 10.619 3.424 388 HG3 GLU 56 HG1 GLU 56 112.627 9.410 2.293 389 H GLY 57 HN GLY 57 111.028 7.751 1.334 390 HA2 GLY 57 HA2 GLY 57 113.464 6.551 0.562 391 HA3 GLY 57 HA1 GLY 57 112.337 5.236 0.871 392 HA PRO 58 HA PRO 58 111.880 6.786 -3.527 393 HB2 PRO 58 HB2 PRO 58 111.861 3.982 -4.345 394 HB3 PRO 58 HB1 PRO 58 113.024 5.252 -4.759 395 HG2 PRO 58 HG2 PRO 58 113.468 3.045 -2.996 396 HG3 PRO 58 HG1 PRO 58 114.553 4.415 -3.271 397 HD2 PRO 58 HD2 PRO 58 112.876 3.866 -0.931 398 HD3 PRO 58 HD1 PRO 58 114.137 5.098 -1.123 399 H SER 59 HN SER 59 110.312 4.107 -1.768 400 HA SER 59 HA SER 59 107.697 5.010 -2.914 401 HB2 SER 59 HB2 SER 59 108.457 2.098 -2.649 402 HB3 SER 59 HB1 SER 59 107.021 2.769 -3.416 403 HG SER 59 HG SER 59 109.406 3.750 -4.375 404 H LYS 60 HN LYS 60 105.847 4.215 -1.631 405 HA LYS 60 HA LYS 60 106.487 4.315 1.236 406 HB2 LYS 60 HB2 LYS 60 103.710 3.934 0.126 407 HB3 LYS 60 HB1 LYS 60 104.219 4.815 1.568 408 HG2 LYS 60 HG2 LYS 60 105.381 6.463 0.054 409 HG3 LYS 60 HG1 LYS 60 104.638 5.638 -1.316 410 HD2 LYS 60 HD2 LYS 60 102.404 6.103 -0.414 411 HD3 LYS 60 HD1 LYS 60 103.121 6.887 0.994 412 HE2 LYS 60 HE2 LYS 60 102.350 8.440 -0.893 413 HE3 LYS 60 HE1 LYS 60 104.002 8.670 -0.319 414 HZ1 LYS 60 HZ1 LYS 60 103.947 8.631 -2.716 415 HZ2 LYS 60 HZ2 LYS 60 103.176 7.117 -2.713 416 HZ3 LYS 60 HZ3 LYS 60 104.771 7.262 -2.146 417 H ALA 61 HN ALA 61 107.390 2.314 1.761 418 HA ALA 61 HA ALA 61 106.612 -0.221 0.868 419 HB1 ALA 61 HB1 ALA 61 107.444 0.485 3.696 420 HB2 ALA 61 HB2 ALA 61 108.564 0.236 2.355 421 HB3 ALA 61 HB3 ALA 61 107.566 -1.100 2.931 422 H GLU 62 HN GLU 62 104.870 -1.545 1.278 423 HA GLU 62 HA GLU 62 102.530 -0.404 2.537 424 HB2 GLU 62 HB2 GLU 62 103.174 -3.184 1.528 425 HB3 GLU 62 HB1 GLU 62 101.609 -2.758 2.220 426 HG2 GLU 62 HG2 GLU 62 101.550 -2.555 -0.231 427 HG3 GLU 62 HG1 GLU 62 101.353 -0.973 0.525 428 H ILE 63 HN ILE 63 103.309 0.061 4.692 429 HA ILE 63 HA ILE 63 104.437 -1.832 6.485 430 HB ILE 63 HB ILE 63 104.222 0.693 6.800 431 HG12 ILE 63 HG12 ILE 63 103.218 -0.962 9.132 432 HG13 ILE 63 HG11 ILE 63 104.900 -0.948 8.599 433 HG21 ILE 63 HG21 ILE 63 102.202 1.602 7.679 434 HG22 ILE 63 HG22 ILE 63 101.498 0.003 7.914 435 HG23 ILE 63 HG23 ILE 63 101.719 0.637 6.284 436 HD11 ILE 63 HD11 ILE 63 103.308 1.466 9.510 437 HD12 ILE 63 HD12 ILE 63 104.971 1.509 8.924 438 HD13 ILE 63 HD13 ILE 63 104.584 0.663 10.424 439 H ALA 64 HN ALA 64 103.391 -3.202 8.108 440 HA ALA 64 HA ALA 64 100.449 -3.444 7.943 441 HB1 ALA 64 HB1 ALA 64 102.379 -5.524 6.955 442 HB2 ALA 64 HB2 ALA 64 100.873 -4.977 6.225 443 HB3 ALA 64 HB3 ALA 64 100.834 -6.024 7.643 444 H PHE 65 HN PHE 65 99.893 -3.417 10.067 445 HA PHE 65 HA PHE 65 101.752 -4.517 12.095 446 HB2 PHE 65 HB2 PHE 65 100.008 -3.607 13.695 447 HB3 PHE 65 HB1 PHE 65 100.761 -2.395 12.658 448 HD1 PHE 65 HD1 PHE 65 99.553 -1.587 10.605 449 HD2 PHE 65 HD2 PHE 65 97.671 -4.091 13.545 450 HE1 PHE 65 HE1 PHE 65 97.325 -0.963 9.712 451 HE2 PHE 65 HE2 PHE 65 95.443 -3.466 12.651 452 HZ PHE 65 HZ PHE 65 95.271 -1.903 10.735 453 H GLU 66 HN GLU 66 101.517 -6.566 12.851 454 HA GLU 66 HA GLU 66 98.806 -7.814 12.871 455 HB2 GLU 66 HB2 GLU 66 100.051 -8.481 10.768 456 HB3 GLU 66 HB1 GLU 66 101.259 -9.240 11.806 457 HG2 GLU 66 HG2 GLU 66 99.580 -10.719 12.762 458 HG3 GLU 66 HG1 GLU 66 98.301 -9.901 11.863 459 H ASP 67 HN ASP 67 98.615 -8.070 15.064 460 HA ASP 67 HA ASP 67 100.930 -8.856 16.700 461 HB2 ASP 67 HB2 ASP 67 99.238 -8.827 18.561 462 HB3 ASP 67 HB1 ASP 67 99.341 -7.303 17.678 463 H ARG 68 HN ARG 68 101.507 -10.972 16.225 464 HA ARG 68 HA ARG 68 99.407 -13.052 16.031 465 HB2 ARG 68 HB2 ARG 68 101.538 -12.870 14.545 466 HB3 ARG 68 HB1 ARG 68 102.389 -13.540 15.935 467 HG2 ARG 68 HG2 ARG 68 101.824 -15.455 14.709 468 HG3 ARG 68 HG1 ARG 68 100.534 -15.371 15.904 469 HD2 ARG 68 HD2 ARG 68 99.524 -13.816 13.826 470 HD3 ARG 68 HD1 ARG 68 100.378 -15.091 12.965 471 HE ARG 68 HE ARG 68 97.849 -15.395 14.135 472 HH11 ARG 68 HH21 ARG 68 100.949 -16.897 14.407 473 HH12 ARG 68 HH22 ARG 68 100.311 -18.392 14.994 474 HH21 ARG 68 HH11 ARG 68 97.014 -17.340 14.882 475 HH22 ARG 68 HH12 ARG 68 98.089 -18.646 15.257 476 H LYS 69 HN LYS 69 101.290 -11.612 18.441 477 HA LYS 69 HA LYS 69 100.925 -13.987 20.248 478 HB2 LYS 69 HB2 LYS 69 103.121 -11.895 20.372 479 HB3 LYS 69 HB1 LYS 69 102.940 -13.280 21.444 480 HG2 LYS 69 HG2 LYS 69 103.125 -13.739 18.470 481 HG3 LYS 69 HG1 LYS 69 104.595 -13.414 19.382 482 HD2 LYS 69 HD2 LYS 69 102.677 -15.508 20.396 483 HD3 LYS 69 HD1 LYS 69 103.760 -15.905 19.066 484 HE2 LYS 69 HE2 LYS 69 105.693 -15.174 20.461 485 HE3 LYS 69 HE1 LYS 69 104.586 -14.886 21.802 486 HZ1 LYS 69 HZ1 LYS 69 105.795 -17.150 21.592 487 HZ2 LYS 69 HZ2 LYS 69 104.582 -17.498 20.455 488 HZ3 LYS 69 HZ3 LYS 69 104.165 -17.111 22.056 489 H ASP 70 HN ASP 70 99.855 -10.931 19.563 490 HA ASP 70 HA ASP 70 98.487 -9.479 20.809 491 HB2 ASP 70 HB2 ASP 70 98.018 -11.858 21.992 492 HB3 ASP 70 HB1 ASP 70 98.840 -11.070 23.334 493 H GLY 71 HN GLY 71 101.639 -10.395 21.597 494 HA2 GLY 71 HA2 GLY 71 102.039 -7.896 23.205 495 HA3 GLY 71 HA1 GLY 71 102.825 -9.413 23.637 496 H SER 72 HN SER 72 103.169 -10.079 20.719 497 HA SER 72 HA SER 72 105.643 -8.478 20.308 498 HB2 SER 72 HB2 SER 72 105.625 -11.028 20.200 499 HB3 SER 72 HB1 SER 72 104.688 -10.873 18.717 500 HG SER 72 HG SER 72 106.387 -9.768 17.791 501 H CYS 73 HN CYS 73 105.243 -6.624 19.176 502 HA CYS 73 HA CYS 73 103.045 -6.467 17.251 503 HB2 CYS 73 HB2 CYS 73 103.654 -4.513 18.619 504 HB3 CYS 73 HB1 CYS 73 105.258 -4.492 17.887 505 HG CYS 73 HG CYS 73 104.105 -2.958 16.278 506 H GLY 74 HN GLY 74 103.372 -7.625 15.394 507 HA2 GLY 74 HA2 GLY 74 106.042 -7.627 14.101 508 HA3 GLY 74 HA1 GLY 74 104.655 -8.603 13.615 509 H VAL 75 HN VAL 75 106.487 -5.977 12.753 510 HA VAL 75 HA VAL 75 104.228 -4.610 11.301 511 HB VAL 75 HB VAL 75 107.057 -3.707 11.878 512 HG11 VAL 75 HG11 VAL 75 106.371 -2.736 9.796 513 HG12 VAL 75 HG12 VAL 75 106.119 -1.498 11.027 514 HG13 VAL 75 HG13 VAL 75 104.748 -2.421 10.410 515 HG21 VAL 75 HG21 VAL 75 106.042 -2.171 13.442 516 HG22 VAL 75 HG22 VAL 75 105.429 -3.782 13.814 517 HG23 VAL 75 HG23 VAL 75 104.422 -2.640 12.924 518 H SER 76 HN SER 76 103.974 -5.761 9.423 519 HA SER 76 HA SER 76 106.345 -6.607 7.884 520 HB2 SER 76 HB2 SER 76 104.853 -8.271 7.407 521 HB3 SER 76 HB1 SER 76 103.495 -7.300 7.964 522 HG SER 76 HG SER 76 103.721 -6.150 5.915 523 H TYR 77 HN TYR 77 107.173 -5.455 6.228 524 HA TYR 77 HA TYR 77 105.518 -3.283 5.012 525 HB2 TYR 77 HB2 TYR 77 107.280 -1.700 5.175 526 HB3 TYR 77 HB1 TYR 77 107.211 -2.455 6.762 527 HD1 TYR 77 HD2 TYR 77 108.688 -4.759 6.861 528 HD2 TYR 77 HD1 TYR 77 109.427 -1.399 4.292 529 HE1 TYR 77 HE2 TYR 77 111.051 -5.445 6.644 530 HE2 TYR 77 HE1 TYR 77 111.799 -2.082 4.087 531 HH TYR 77 HH TYR 77 113.439 -3.521 5.666 532 H VAL 78 HN VAL 78 105.459 -3.480 2.846 533 HA VAL 78 HA VAL 78 107.434 -5.291 1.526 534 HB VAL 78 HB VAL 78 104.933 -4.121 0.300 535 HG11 VAL 78 HG11 VAL 78 105.097 -6.111 -1.135 536 HG12 VAL 78 HG12 VAL 78 106.520 -6.646 -0.242 537 HG13 VAL 78 HG13 VAL 78 106.588 -5.173 -1.207 538 HG21 VAL 78 HG21 VAL 78 103.941 -6.409 0.946 539 HG22 VAL 78 HG22 VAL 78 104.093 -5.217 2.235 540 HG23 VAL 78 HG23 VAL 78 105.267 -6.524 2.102 541 H VAL 79 HN VAL 79 109.209 -4.062 0.977 542 HA VAL 79 HA VAL 79 109.023 -1.300 0.177 543 HB VAL 79 HB VAL 79 111.408 -1.629 -0.553 544 HG11 VAL 79 HG11 VAL 79 111.154 -0.992 1.716 545 HG12 VAL 79 HG12 VAL 79 112.170 -2.430 1.801 546 HG13 VAL 79 HG13 VAL 79 110.451 -2.545 2.167 547 HG21 VAL 79 HG21 VAL 79 110.855 -4.482 0.337 548 HG22 VAL 79 HG22 VAL 79 112.436 -3.836 -0.101 549 HG23 VAL 79 HG23 VAL 79 111.168 -3.965 -1.320 550 H GLN 80 HN GLN 80 109.597 -0.497 -2.025 551 HA GLN 80 HA GLN 80 108.361 -2.237 -4.113 552 HB2 GLN 80 HB2 GLN 80 107.561 0.159 -3.621 553 HB3 GLN 80 HB1 GLN 80 109.053 0.687 -4.399 554 HG2 GLN 80 HG2 GLN 80 107.421 0.655 -6.134 555 HG3 GLN 80 HG1 GLN 80 108.380 -0.807 -6.368 556 HE21 GLN 80 HE21 GLN 80 106.123 -1.300 -7.530 557 HE22 GLN 80 HE22 GLN 80 104.980 -2.100 -6.565 558 H GLU 81 HN GLU 81 111.223 -0.087 -3.700 559 HA GLU 81 HA GLU 81 112.750 -1.917 -5.386 560 HB2 GLU 81 HB2 GLU 81 113.430 0.369 -6.736 561 HB3 GLU 81 HB1 GLU 81 112.225 -0.788 -7.299 562 HG2 GLU 81 HG2 GLU 81 110.446 0.460 -6.271 563 HG3 GLU 81 HG1 GLU 81 111.594 1.556 -5.502 564 HA PRO 82 HA PRO 82 116.330 -1.018 -3.022 565 HB2 PRO 82 HB2 PRO 82 117.593 -0.110 -5.570 566 HB3 PRO 82 HB1 PRO 82 118.213 -1.232 -4.342 567 HG2 PRO 82 HG2 PRO 82 117.110 -2.114 -6.688 568 HG3 PRO 82 HG1 PRO 82 117.018 -3.003 -5.178 569 HD2 PRO 82 HD2 PRO 82 114.827 -1.652 -6.588 570 HD3 PRO 82 HD1 PRO 82 114.761 -2.856 -5.293 571 H GLY 83 HN GLY 83 117.748 0.646 -2.349 572 HA2 GLY 83 HA2 GLY 83 118.171 3.212 -2.993 573 HA3 GLY 83 HA1 GLY 83 116.474 3.326 -2.523 574 H ASP 84 HN ASP 84 117.322 4.770 -0.808 575 HA ASP 84 HA ASP 84 118.539 3.278 1.495 576 HB2 ASP 84 HB2 ASP 84 118.405 6.278 1.096 577 HB3 ASP 84 HB1 ASP 84 119.362 5.396 2.286 578 H TYR 85 HN TYR 85 116.502 2.455 2.251 579 HA TYR 85 HA TYR 85 114.299 4.301 2.774 580 HB2 TYR 85 HB2 TYR 85 114.817 1.388 3.065 581 HB3 TYR 85 HB1 TYR 85 113.691 2.057 4.243 582 HD1 TYR 85 HD2 TYR 85 111.664 3.309 3.430 583 HD2 TYR 85 HD1 TYR 85 114.200 1.063 0.793 584 HE1 TYR 85 HE2 TYR 85 109.872 3.295 1.724 585 HE2 TYR 85 HE1 TYR 85 112.410 1.043 -0.919 586 HH TYR 85 HH TYR 85 110.413 2.415 -1.503 587 H GLU 86 HN GLU 86 114.055 5.484 4.561 588 HA GLU 86 HA GLU 86 115.901 5.018 6.883 589 HB2 GLU 86 HB2 GLU 86 114.666 7.672 6.876 590 HB3 GLU 86 HB1 GLU 86 116.375 7.255 6.841 591 HG2 GLU 86 HG2 GLU 86 114.636 7.166 4.362 592 HG3 GLU 86 HG1 GLU 86 115.509 8.610 4.857 593 H VAL 87 HN VAL 87 114.943 4.517 8.789 594 HA VAL 87 HA VAL 87 111.996 4.997 9.075 595 HB VAL 87 HB VAL 87 112.697 2.616 8.645 596 HG11 VAL 87 HG11 VAL 87 114.815 2.864 10.053 597 HG12 VAL 87 HG12 VAL 87 113.879 1.394 10.327 598 HG13 VAL 87 HG13 VAL 87 113.774 2.733 11.470 599 HG21 VAL 87 HG21 VAL 87 111.333 3.402 11.230 600 HG22 VAL 87 HG22 VAL 87 111.366 1.740 10.643 601 HG23 VAL 87 HG23 VAL 87 110.574 2.996 9.691 602 H SER 88 HN SER 88 111.347 5.893 10.958 603 HA SER 88 HA SER 88 113.354 6.286 13.137 604 HB2 SER 88 HB2 SER 88 113.074 8.402 11.974 605 HB3 SER 88 HB1 SER 88 111.322 8.255 12.071 606 HG SER 88 HG SER 88 112.603 9.549 13.734 607 H ILE 89 HN ILE 89 112.601 4.830 14.639 608 HA ILE 89 HA ILE 89 109.682 4.901 15.312 609 HB ILE 89 HB ILE 89 109.776 2.643 15.813 610 HG12 ILE 89 HG12 ILE 89 112.731 3.052 16.347 611 HG13 ILE 89 HG11 ILE 89 111.488 2.612 17.513 612 HG21 ILE 89 HG21 ILE 89 110.807 1.552 13.982 613 HG22 ILE 89 HG22 ILE 89 112.109 2.738 13.904 614 HG23 ILE 89 HG23 ILE 89 110.479 3.184 13.401 615 HD11 ILE 89 HD11 ILE 89 112.491 0.542 17.091 616 HD12 ILE 89 HD12 ILE 89 112.769 0.908 15.390 617 HD13 ILE 89 HD13 ILE 89 111.144 0.519 15.955 618 H LYS 90 HN LYS 90 109.089 5.578 17.310 619 HA LYS 90 HA LYS 90 111.105 5.666 19.478 620 HB2 LYS 90 HB2 LYS 90 110.475 7.940 20.037 621 HB3 LYS 90 HB1 LYS 90 111.039 7.901 18.381 622 HG2 LYS 90 HG2 LYS 90 108.393 7.448 17.947 623 HG3 LYS 90 HG1 LYS 90 108.278 8.358 19.444 624 HD2 LYS 90 HD2 LYS 90 108.165 9.986 17.706 625 HD3 LYS 90 HD1 LYS 90 109.797 10.105 18.355 626 HE2 LYS 90 HE2 LYS 90 109.435 8.193 16.091 627 HE3 LYS 90 HE1 LYS 90 109.306 9.906 15.699 628 HZ1 LYS 90 HZ1 LYS 90 111.485 10.106 15.853 629 HZ2 LYS 90 HZ2 LYS 90 111.616 8.433 16.120 630 HZ3 LYS 90 HZ3 LYS 90 111.483 9.498 17.436 631 H PHE 91 HN PHE 91 110.215 4.822 21.350 632 HA PHE 91 HA PHE 91 107.312 4.306 21.404 633 HB2 PHE 91 HB2 PHE 91 109.055 2.695 22.317 634 HB3 PHE 91 HB1 PHE 91 109.317 3.845 23.630 635 HD1 PHE 91 HD1 PHE 91 106.783 1.674 21.994 636 HD2 PHE 91 HD2 PHE 91 107.749 4.061 25.433 637 HE1 PHE 91 HE1 PHE 91 104.803 0.770 23.180 638 HE2 PHE 91 HE2 PHE 91 105.769 3.149 26.623 639 HZ PHE 91 HZ PHE 91 104.297 1.504 25.492 640 H ASN 92 HN ASN 92 106.343 6.363 21.580 641 HA ASN 92 HA ASN 92 105.491 8.195 22.765 642 HB2 ASN 92 HB2 ASN 92 105.767 6.395 24.718 643 HB3 ASN 92 HB1 ASN 92 107.073 7.463 25.226 644 HD21 ASN 92 HD21 ASN 92 106.446 9.201 26.517 645 HD22 ASN 92 HD22 ASN 92 104.865 9.809 26.628 646 H ASP 93 HN ASP 93 107.858 8.298 21.205 647 HA ASP 93 HA ASP 93 109.342 10.028 20.641 648 HB2 ASP 93 HB2 ASP 93 109.269 11.163 23.426 649 HB3 ASP 93 HB1 ASP 93 109.571 11.967 21.890 650 H GLU 94 HN GLU 94 109.862 7.442 22.357 651 HA GLU 94 HA GLU 94 112.543 8.199 23.405 652 HB2 GLU 94 HB2 GLU 94 112.221 6.510 24.886 653 HB3 GLU 94 HB1 GLU 94 110.612 6.333 24.239 654 HG2 GLU 94 HG2 GLU 94 111.734 4.181 24.287 655 HG3 GLU 94 HG1 GLU 94 111.462 4.639 22.626 656 H HIS 95 HN HIS 95 113.609 8.683 21.473 657 HA HIS 95 HA HIS 95 113.469 7.022 19.135 658 HB2 HIS 95 HB2 HIS 95 115.433 8.324 18.366 659 HB3 HIS 95 HB1 HIS 95 114.181 9.373 19.029 660 HD1 HIS 95 HD1 HIS 95 117.716 8.590 19.354 661 HD2 HIS 95 HD2 HIS 95 114.759 10.082 21.885 662 HE1 HIS 95 HE1 HIS 95 118.919 9.653 21.313 663 H ILE 96 HN ILE 96 113.886 4.846 19.855 664 HA ILE 96 HA ILE 96 116.029 3.907 21.374 665 HB ILE 96 HB ILE 96 114.244 2.457 20.520 666 HG12 ILE 96 HG12 ILE 96 117.036 1.656 19.621 667 HG13 ILE 96 HG11 ILE 96 116.212 1.220 21.118 668 HG21 ILE 96 HG21 ILE 96 115.523 2.818 17.798 669 HG22 ILE 96 HG22 ILE 96 114.048 3.620 18.335 670 HG23 ILE 96 HG23 ILE 96 114.080 1.873 18.162 671 HD11 ILE 96 HD11 ILE 96 115.548 0.286 18.323 672 HD12 ILE 96 HD12 ILE 96 114.479 0.039 19.703 673 HD13 ILE 96 HD13 ILE 96 116.085 -0.692 19.689 674 HA PRO 97 HA PRO 97 119.701 5.369 19.304 675 HB2 PRO 97 HB2 PRO 97 120.860 2.643 19.517 676 HB3 PRO 97 HB1 PRO 97 121.471 4.178 20.156 677 HG2 PRO 97 HG2 PRO 97 120.178 2.166 21.668 678 HG3 PRO 97 HG1 PRO 97 120.471 3.829 22.199 679 HD2 PRO 97 HD2 PRO 97 117.929 2.604 21.554 680 HD3 PRO 97 HD1 PRO 97 118.217 4.257 22.116 681 H ASP 98 HN ASP 98 118.410 2.193 18.261 682 HA ASP 98 HA ASP 98 119.628 1.998 15.733 683 HB2 ASP 98 HB2 ASP 98 116.739 1.386 16.413 684 HB3 ASP 98 HB1 ASP 98 117.601 0.802 14.986 685 H SER 99 HN SER 99 116.386 3.404 16.194 686 HA SER 99 HA SER 99 116.502 4.700 13.655 687 HB2 SER 99 HB2 SER 99 114.547 6.063 15.031 688 HB3 SER 99 HB1 SER 99 114.298 4.506 14.239 689 HG SER 99 HG SER 99 114.961 5.037 16.937 690 HA PRO 100 HA PRO 100 115.808 6.458 12.586 691 HB2 PRO 100 HB2 PRO 100 117.034 8.485 11.115 692 HB3 PRO 100 HB1 PRO 100 115.580 8.701 12.101 693 HG2 PRO 100 HG2 PRO 100 118.306 9.698 12.614 694 HG3 PRO 100 HG1 PRO 100 116.787 10.173 13.388 695 HD2 PRO 100 HD2 PRO 100 118.840 8.417 14.449 696 HD3 PRO 100 HD1 PRO 100 117.322 8.908 15.228 697 H PHE 101 HN PHE 101 116.798 4.531 11.614 698 HA PHE 101 HA PHE 101 119.608 4.932 10.559 699 HB2 PHE 101 HB2 PHE 101 120.093 2.610 10.827 700 HB3 PHE 101 HB1 PHE 101 119.486 3.208 12.357 701 HD1 PHE 101 HD1 PHE 101 117.157 2.655 13.062 702 HD2 PHE 101 HD2 PHE 101 118.939 0.919 9.590 703 HE1 PHE 101 HE1 PHE 101 115.455 0.882 13.106 704 HE2 PHE 101 HE2 PHE 101 117.225 -0.868 9.615 705 HZ PHE 101 HZ PHE 101 115.479 -0.886 11.368 706 H VAL 102 HN VAL 102 120.120 3.543 8.630 707 HA VAL 102 HA VAL 102 117.933 3.900 6.670 708 HB VAL 102 HB VAL 102 120.104 4.884 6.151 709 HG11 VAL 102 HG11 VAL 102 121.476 3.276 7.455 710 HG12 VAL 102 HG12 VAL 102 122.074 3.462 5.807 711 HG13 VAL 102 HG13 VAL 102 121.141 2.033 6.249 712 HG21 VAL 102 HG21 VAL 102 119.692 2.452 4.392 713 HG22 VAL 102 HG22 VAL 102 120.337 4.023 3.920 714 HG23 VAL 102 HG23 VAL 102 118.633 3.861 4.344 715 H VAL 103 HN VAL 103 117.226 2.280 5.279 716 HA VAL 103 HA VAL 103 117.954 -0.543 6.000 717 HB VAL 103 HB VAL 103 115.287 0.644 5.192 718 HG11 VAL 103 HG11 VAL 103 116.241 -2.216 5.404 719 HG12 VAL 103 HG12 VAL 103 115.336 -1.458 4.095 720 HG13 VAL 103 HG13 VAL 103 114.542 -1.803 5.629 721 HG21 VAL 103 HG21 VAL 103 114.567 0.079 7.381 722 HG22 VAL 103 HG22 VAL 103 116.162 0.793 7.617 723 HG23 VAL 103 HG23 VAL 103 115.964 -0.960 7.661 724 HA PRO 104 HA PRO 104 119.031 0.361 1.580 725 HB2 PRO 104 HB2 PRO 104 120.967 -1.807 1.716 726 HB3 PRO 104 HB1 PRO 104 121.271 -0.073 1.546 727 HG2 PRO 104 HG2 PRO 104 121.757 -1.668 3.870 728 HG3 PRO 104 HG1 PRO 104 121.888 0.092 3.747 729 HD2 PRO 104 HD2 PRO 104 119.811 -1.491 5.073 730 HD3 PRO 104 HD1 PRO 104 120.073 0.264 5.143 731 H VAL 105 HN VAL 105 117.488 -0.462 0.254 732 HA VAL 105 HA VAL 105 116.782 -3.358 0.385 733 HB VAL 105 HB VAL 105 115.522 -0.952 -0.968 734 HG11 VAL 105 HG11 VAL 105 114.585 -3.834 -1.046 735 HG12 VAL 105 HG12 VAL 105 115.252 -2.966 -2.421 736 HG13 VAL 105 HG13 VAL 105 113.725 -2.454 -1.714 737 HG21 VAL 105 HG21 VAL 105 113.771 -1.230 0.606 738 HG22 VAL 105 HG22 VAL 105 115.266 -1.372 1.530 739 HG23 VAL 105 HG23 VAL 105 114.361 -2.818 1.088 740 H ALA 106 HN ALA 106 117.190 -4.716 -1.459 741 HA ALA 106 HA ALA 106 118.767 -3.491 -3.711 742 HB1 ALA 106 HB1 ALA 106 120.580 -4.813 -3.321 743 HB2 ALA 106 HB2 ALA 106 119.608 -6.180 -2.765 744 HB3 ALA 106 HB3 ALA 106 119.946 -4.835 -1.679 745 H SER 107 HN SER 107 118.270 -4.263 -5.704 746 HA SER 107 HA SER 107 116.138 -6.302 -5.967 747 HB2 SER 107 HB2 SER 107 115.936 -5.541 -8.249 748 HB3 SER 107 HB1 SER 107 116.082 -4.101 -7.251 749 HG SER 107 HG SER 107 117.807 -3.648 -8.341 750 H LEU 108 HN LEU 108 117.700 -7.932 -5.223 751 HA LEU 108 HA LEU 108 119.144 -9.739 -5.652 752 HB2 LEU 108 HB2 LEU 108 118.968 -9.015 -8.591 753 HB3 LEU 108 HB1 LEU 108 119.274 -10.594 -7.876 754 HG LEU 108 HG LEU 108 116.673 -9.055 -7.614 755 HD11 LEU 108 HD11 LEU 108 115.768 -10.751 -9.141 756 HD12 LEU 108 HD12 LEU 108 117.357 -11.505 -9.267 757 HD13 LEU 108 HD13 LEU 108 117.097 -9.885 -9.913 758 HD21 LEU 108 HD21 LEU 108 116.913 -10.456 -5.703 759 HD22 LEU 108 HD22 LEU 108 117.634 -11.757 -6.650 760 HD23 LEU 108 HD23 LEU 108 115.919 -11.387 -6.822 761 H SER 109 HN SER 109 119.764 -6.634 -5.916 762 HA SER 109 HA SER 109 122.489 -6.763 -7.056 763 HB2 SER 109 HB2 SER 109 120.916 -4.842 -7.498 764 HB3 SER 109 HB1 SER 109 121.080 -4.413 -5.798 765 HG SER 109 HG SER 109 122.678 -3.762 -7.768 766 H ASP 110 HN ASP 110 120.855 -6.867 -4.011 767 HA ASP 110 HA ASP 110 121.657 -6.769 -1.795 768 HB2 ASP 110 HB2 ASP 110 123.468 -8.270 -1.351 769 HB3 ASP 110 HB1 ASP 110 122.624 -8.936 -2.746 770 H ASP 111 HN ASP 111 122.422 -4.649 -3.814 771 HA ASP 111 HA ASP 111 123.980 -2.988 -2.072 772 HB2 ASP 111 HB2 ASP 111 125.732 -4.597 -3.047 773 HB3 ASP 111 HB1 ASP 111 125.436 -3.806 -4.595 774 H ALA 112 HN ALA 112 122.622 -3.682 -5.271 775 HA ALA 112 HA ALA 112 121.653 -2.212 -6.839 776 HB1 ALA 112 HB1 ALA 112 121.603 -0.097 -4.687 777 HB2 ALA 112 HB2 ALA 112 120.530 -1.493 -4.604 778 HB3 ALA 112 HB3 ALA 112 120.437 -0.391 -5.977 779 H ARG 113 HN ARG 113 121.960 0.397 -7.469 780 HA ARG 113 HA ARG 113 124.714 1.285 -7.071 781 HB2 ARG 113 HB2 ARG 113 124.360 -0.563 -9.109 782 HB3 ARG 113 HB1 ARG 113 124.185 0.949 -9.981 783 HG2 ARG 113 HG2 ARG 113 126.496 0.582 -10.090 784 HG3 ARG 113 HG1 ARG 113 126.360 1.658 -8.701 785 HD2 ARG 113 HD2 ARG 113 126.464 -0.250 -7.172 786 HD3 ARG 113 HD1 ARG 113 126.484 -1.370 -8.534 787 HE ARG 113 HE ARG 113 128.662 0.286 -8.994 788 HH11 ARG 113 HH21 ARG 113 127.493 -1.668 -6.405 789 HH12 ARG 113 HH22 ARG 113 129.071 -2.030 -5.790 790 HH21 ARG 113 HH11 ARG 113 130.728 -0.173 -8.204 791 HH22 ARG 113 HH12 ARG 113 130.902 -1.183 -6.808 792 H ARG 114 HN ARG 114 124.805 2.884 -9.442 793 HA ARG 114 HA ARG 114 122.362 4.577 -9.333 794 HB2 ARG 114 HB2 ARG 114 124.054 5.387 -7.609 795 HB3 ARG 114 HB1 ARG 114 125.151 5.717 -8.947 796 HG2 ARG 114 HG2 ARG 114 123.677 7.343 -9.890 797 HG3 ARG 114 HG1 ARG 114 122.352 6.860 -8.841 798 HD2 ARG 114 HD2 ARG 114 124.917 8.240 -8.029 799 HD3 ARG 114 HD1 ARG 114 123.301 8.930 -7.982 800 HE ARG 114 HE ARG 114 124.564 7.375 -5.922 801 HH11 ARG 114 HH21 ARG 114 121.525 7.692 -7.537 802 HH12 ARG 114 HH22 ARG 114 120.651 6.840 -6.310 803 HH21 ARG 114 HH11 ARG 114 123.431 6.289 -4.325 804 HH22 ARG 114 HH12 ARG 114 121.724 6.053 -4.496 805 H LEU 115 HN LEU 115 124.604 2.936 -11.032 806 HA LEU 115 HA LEU 115 124.305 4.656 -13.469 807 HB2 LEU 115 HB2 LEU 115 126.587 3.363 -14.077 808 HB3 LEU 115 HB1 LEU 115 126.596 4.895 -13.208 809 HG LEU 115 HG LEU 115 126.358 2.366 -11.596 810 HD11 LEU 115 HD11 LEU 115 128.916 2.359 -11.502 811 HD12 LEU 115 HD12 LEU 115 128.870 3.344 -12.964 812 HD13 LEU 115 HD13 LEU 115 128.187 1.718 -12.974 813 HD21 LEU 115 HD21 LEU 115 126.346 4.872 -10.780 814 HD22 LEU 115 HD22 LEU 115 128.089 4.767 -11.004 815 HD23 LEU 115 HD23 LEU 115 127.277 3.677 -9.880 816 H THR 116 HN THR 116 124.299 1.482 -12.009 817 HA THR 116 HA THR 116 123.568 0.212 -14.617 818 HB THR 116 HB THR 116 124.388 -1.032 -11.973 819 HG1 THR 116 HG1 THR 116 126.288 -0.677 -12.756 820 HG21 THR 116 HG21 THR 116 124.514 -3.118 -13.433 821 HG22 THR 116 HG22 THR 116 123.603 -2.213 -14.643 822 HG23 THR 116 HG23 THR 116 122.890 -2.539 -13.063 823 H VAL 117 HN VAL 117 122.742 -0.642 -11.301 824 HA VAL 117 HA VAL 117 119.986 -1.177 -11.918 825 HB VAL 117 HB VAL 117 121.420 -0.530 -9.326 826 HG11 VAL 117 HG11 VAL 117 119.301 -1.581 -8.302 827 HG12 VAL 117 HG12 VAL 117 118.540 -1.280 -9.865 828 HG13 VAL 117 HG13 VAL 117 119.154 0.069 -8.908 829 HG21 VAL 117 HG21 VAL 117 122.115 -2.643 -10.254 830 HG22 VAL 117 HG22 VAL 117 120.450 -3.093 -10.621 831 HG23 VAL 117 HG23 VAL 117 120.990 -3.001 -8.945 832 H THR 118 HN THR 118 121.823 1.576 -11.755 833 HA THR 118 HA THR 118 121.409 3.843 -11.379 834 HB THR 118 HB THR 118 120.812 3.555 -13.673 835 HG1 THR 118 HG1 THR 118 119.250 5.180 -12.046 836 HG21 THR 118 HG21 THR 118 119.268 1.718 -13.598 837 HG22 THR 118 HG22 THR 118 118.397 3.087 -14.284 838 HG23 THR 118 HG23 THR 118 118.133 2.630 -12.605 839 H SER 119 HN SER 119 120.777 2.999 -9.089 840 HA SER 119 HA SER 119 119.542 3.619 -7.211 841 HB2 SER 119 HB2 SER 119 118.148 5.463 -7.354 842 HB3 SER 119 HB1 SER 119 118.973 5.627 -8.903 843 HG SER 119 HG SER 119 117.213 4.981 -9.918 844 H1 MET 1 HT1 MET 1 125.664 19.421 -7.281 845 H2 MET 1 HT2 MET 1 125.954 18.679 -5.780 846 H3 MET 1 HT3 MET 1 124.414 18.589 -6.492 847 HA MET 1 HA MET 1 126.901 17.348 -7.538 848 HB2 MET 1 HB2 MET 1 124.370 16.085 -6.441 849 HB3 MET 1 HB1 MET 1 125.826 15.240 -6.970 850 HG2 MET 1 HG2 MET 1 127.126 16.308 -5.190 851 HG3 MET 1 HG1 MET 1 125.711 17.230 -4.683 852 HE1 MET 1 HE1 MET 1 127.846 14.568 -3.605 853 HE2 MET 1 HE2 MET 1 126.835 14.144 -2.226 854 HE3 MET 1 HE3 MET 1 127.157 15.838 -2.584 855 H ALA 2 HN ALA 2 125.268 15.285 -8.767 856 HA ALA 2 HA ALA 2 124.722 16.566 -11.283 857 HB1 ALA 2 HB1 ALA 2 123.717 13.857 -10.372 858 HB2 ALA 2 HB2 ALA 2 125.358 14.137 -10.953 859 HB3 ALA 2 HB3 ALA 2 123.986 14.396 -12.030 860 H SER 3 HN SER 3 122.205 15.054 -11.809 861 HA SER 3 HA SER 3 120.356 17.157 -11.027 862 HB2 SER 3 HB2 SER 3 120.204 15.889 -13.189 863 HB3 SER 3 HB1 SER 3 119.738 14.461 -12.270 864 HG SER 3 HG SER 3 118.400 16.964 -12.163 865 H LYS 4 HN LYS 4 118.544 16.926 -9.612 866 HA LYS 4 HA LYS 4 118.188 14.468 -8.066 867 HB2 LYS 4 HB2 LYS 4 120.167 15.630 -6.995 868 HB3 LYS 4 HB1 LYS 4 119.078 16.959 -6.595 869 HG2 LYS 4 HG2 LYS 4 117.653 15.452 -5.303 870 HG3 LYS 4 HG1 LYS 4 118.655 14.074 -5.763 871 HD2 LYS 4 HD2 LYS 4 120.615 15.282 -4.687 872 HD3 LYS 4 HD1 LYS 4 119.445 16.431 -4.035 873 HE2 LYS 4 HE2 LYS 4 119.491 13.439 -3.543 874 HE3 LYS 4 HE1 LYS 4 119.878 14.699 -2.371 875 HZ1 LYS 4 HZ1 LYS 4 117.334 13.694 -3.160 876 HZ2 LYS 4 HZ2 LYS 4 117.415 15.379 -3.361 877 HZ3 LYS 4 HZ3 LYS 4 117.738 14.685 -1.844 878 HA PRO 5 HA PRO 5 114.581 17.411 -8.637 879 HB2 PRO 5 HB2 PRO 5 112.981 15.168 -9.521 880 HB3 PRO 5 HB1 PRO 5 113.521 16.556 -10.476 881 HG2 PRO 5 HG2 PRO 5 114.481 13.833 -10.638 882 HG3 PRO 5 HG1 PRO 5 115.023 15.227 -11.583 883 HD2 PRO 5 HD2 PRO 5 116.425 13.887 -9.422 884 HD3 PRO 5 HD1 PRO 5 116.992 15.247 -10.412 885 H GLU 6 HN GLU 6 114.211 17.636 -6.416 886 HA GLU 6 HA GLU 6 113.262 17.190 -4.320 887 HB2 GLU 6 HB2 GLU 6 111.302 16.741 -5.954 888 HB3 GLU 6 HB1 GLU 6 111.637 15.033 -5.676 889 HG2 GLU 6 HG2 GLU 6 109.965 15.639 -4.080 890 HG3 GLU 6 HG1 GLU 6 111.478 15.547 -3.178 891 H LYS 7 HN LYS 7 113.296 15.593 -2.575 892 HA LYS 7 HA LYS 7 115.534 13.812 -2.711 893 HB2 LYS 7 HB2 LYS 7 113.281 13.587 -0.707 894 HB3 LYS 7 HB1 LYS 7 114.989 13.209 -0.476 895 HG2 LYS 7 HG2 LYS 7 115.467 15.671 -0.928 896 HG3 LYS 7 HG1 LYS 7 113.729 15.940 -0.799 897 HD2 LYS 7 HD2 LYS 7 113.854 14.760 1.465 898 HD3 LYS 7 HD1 LYS 7 115.607 14.906 1.332 899 HE2 LYS 7 HE2 LYS 7 114.849 16.818 2.573 900 HE3 LYS 7 HE1 LYS 7 115.267 17.392 0.958 901 HZ1 LYS 7 HZ1 LYS 7 112.954 17.297 0.337 902 HZ2 LYS 7 HZ2 LYS 7 113.128 18.255 1.730 903 HZ3 LYS 7 HZ3 LYS 7 112.529 16.671 1.855 904 H ARG 8 HN ARG 8 113.600 11.771 -1.168 905 HA ARG 8 HA ARG 8 113.137 10.116 -3.603 906 HB2 ARG 8 HB2 ARG 8 112.927 9.258 -0.705 907 HB3 ARG 8 HB1 ARG 8 113.170 8.240 -2.127 908 HG2 ARG 8 HG2 ARG 8 115.368 9.345 -2.507 909 HG3 ARG 8 HG1 ARG 8 115.133 10.273 -1.034 910 HD2 ARG 8 HD2 ARG 8 115.002 7.270 -1.008 911 HD3 ARG 8 HD1 ARG 8 116.548 8.093 -0.907 912 HE ARG 8 HE ARG 8 114.615 7.745 1.217 913 HH11 ARG 8 HH21 ARG 8 116.789 10.088 -0.095 914 HH12 ARG 8 HH22 ARG 8 116.816 11.044 1.349 915 HH21 ARG 8 HH11 ARG 8 114.654 8.972 3.087 916 HH22 ARG 8 HH12 ARG 8 115.612 10.414 3.145 917 H VAL 9 HN VAL 9 111.231 8.982 -1.117 918 HA VAL 9 HA VAL 9 108.854 10.577 -2.017 919 HB VAL 9 HB VAL 9 109.313 7.850 -2.497 920 HG11 VAL 9 HG11 VAL 9 107.184 8.058 -0.353 921 HG12 VAL 9 HG12 VAL 9 108.794 7.396 -0.073 922 HG13 VAL 9 HG13 VAL 9 107.699 6.606 -1.202 923 HG21 VAL 9 HG21 VAL 9 107.801 9.245 -3.794 924 HG22 VAL 9 HG22 VAL 9 106.707 9.390 -2.419 925 HG23 VAL 9 HG23 VAL 9 106.922 7.831 -3.214 926 H ALA 10 HN ALA 10 107.037 10.316 -0.346 927 HA ALA 10 HA ALA 10 108.227 10.562 2.406 928 HB1 ALA 10 HB1 ALA 10 107.286 12.663 1.420 929 HB2 ALA 10 HB2 ALA 10 106.467 12.158 2.899 930 HB3 ALA 10 HB3 ALA 10 105.714 11.869 1.330 931 H SER 11 HN SER 11 107.365 9.320 4.017 932 HA SER 11 HA SER 11 104.716 8.044 3.641 933 HB2 SER 11 HB2 SER 11 107.329 6.547 3.781 934 HB3 SER 11 HB1 SER 11 105.832 5.801 4.339 935 HG SER 11 HG SER 11 104.968 6.408 2.235 936 H SER 12 HN SER 12 104.259 9.489 5.447 937 HA SER 12 HA SER 12 105.560 8.768 8.038 938 HB2 SER 12 HB2 SER 12 105.511 11.132 7.695 939 HB3 SER 12 HB1 SER 12 103.837 11.091 7.149 940 HG SER 12 HG SER 12 104.099 11.773 9.352 941 H VAL 13 HN VAL 13 104.517 7.214 9.179 942 HA VAL 13 HA VAL 13 101.621 7.388 9.584 943 HB VAL 13 HB VAL 13 101.627 6.072 7.558 944 HG11 VAL 13 HG11 VAL 13 103.698 4.369 8.967 945 HG12 VAL 13 HG12 VAL 13 103.971 5.392 7.556 946 HG13 VAL 13 HG13 VAL 13 102.946 3.962 7.425 947 HG21 VAL 13 HG21 VAL 13 100.469 4.141 8.307 948 HG22 VAL 13 HG22 VAL 13 100.237 5.322 9.596 949 HG23 VAL 13 HG23 VAL 13 101.431 4.037 9.781 950 H PHE 14 HN PHE 14 100.920 5.739 11.228 951 HA PHE 14 HA PHE 14 102.793 4.142 12.661 952 HB2 PHE 14 HB2 PHE 14 103.254 5.438 14.579 953 HB3 PHE 14 HB1 PHE 14 103.726 6.409 13.218 954 HD1 PHE 14 HD2 PHE 14 101.729 7.932 12.236 955 HD2 PHE 14 HD1 PHE 14 102.026 6.487 16.272 956 HE1 PHE 14 HE2 PHE 14 100.238 9.755 13.001 957 HE2 PHE 14 HE1 PHE 14 100.541 8.313 17.036 958 HZ PHE 14 HZ PHE 14 99.641 9.948 15.401 959 H ILE 15 HN ILE 15 101.923 4.345 15.254 960 HA ILE 15 HA ILE 15 98.974 4.190 15.257 961 HB ILE 15 HB ILE 15 99.175 2.000 16.488 962 HG12 ILE 15 HG12 ILE 15 101.615 2.185 16.972 963 HG13 ILE 15 HG11 ILE 15 101.168 0.653 16.239 964 HG21 ILE 15 HG21 ILE 15 98.392 2.133 14.163 965 HG22 ILE 15 HG22 ILE 15 99.304 0.651 14.446 966 HG23 ILE 15 HG23 ILE 15 100.058 2.002 13.599 967 HD11 ILE 15 HD11 ILE 15 102.920 1.076 14.850 968 HD12 ILE 15 HD12 ILE 15 102.915 2.799 15.208 969 HD13 ILE 15 HD13 ILE 15 101.807 2.148 14.008 970 H THR 16 HN THR 16 98.137 4.282 17.470 971 HA THR 16 HA THR 16 100.111 5.448 19.410 972 HB THR 16 HB THR 16 97.102 5.788 19.228 973 HG1 THR 16 HG1 THR 16 99.057 7.781 18.910 974 HG21 THR 16 HG21 THR 16 97.703 5.975 21.523 975 HG22 THR 16 HG22 THR 16 97.628 7.632 20.924 976 HG23 THR 16 HG23 THR 16 99.190 6.842 21.139 977 H LEU 17 HN LEU 17 99.779 4.907 21.692 978 HA LEU 17 HA LEU 17 98.306 2.340 22.175 979 HB2 LEU 17 HB2 LEU 17 101.058 3.010 23.263 980 HB3 LEU 17 HB1 LEU 17 100.168 1.510 23.508 981 HG LEU 17 HG LEU 17 100.970 2.524 20.768 982 HD11 LEU 17 HD11 LEU 17 103.028 2.154 21.936 983 HD12 LEU 17 HD12 LEU 17 102.752 0.718 20.950 984 HD13 LEU 17 HD13 LEU 17 102.415 0.678 22.681 985 HD21 LEU 17 HD21 LEU 17 100.696 0.006 20.295 986 HD22 LEU 17 HD22 LEU 17 99.216 0.917 20.580 987 HD23 LEU 17 HD23 LEU 17 99.891 -0.089 21.860 988 H ALA 18 HN ALA 18 96.689 3.103 23.478 989 HA ALA 18 HA ALA 18 97.432 4.172 26.108 990 HB1 ALA 18 HB1 ALA 18 95.770 5.811 24.175 991 HB2 ALA 18 HB2 ALA 18 97.370 6.230 24.787 992 HB3 ALA 18 HB3 ALA 18 95.991 6.182 25.885 993 HA PRO 19 HA PRO 19 93.663 1.472 25.817 994 HB2 PRO 19 HB2 PRO 19 94.512 0.088 28.206 995 HB3 PRO 19 HB1 PRO 19 94.474 -0.540 26.553 996 HG2 PRO 19 HG2 PRO 19 96.808 0.164 28.107 997 HG3 PRO 19 HG1 PRO 19 96.763 -0.444 26.446 998 HD2 PRO 19 HD2 PRO 19 97.316 2.266 27.352 999 HD3 PRO 19 HD1 PRO 19 97.385 1.633 25.693 1000 HA PRO 20 HA PRO 20 91.379 3.693 28.875 1001 HB2 PRO 20 HB2 PRO 20 89.840 1.572 30.021 1002 HB3 PRO 20 HB1 PRO 20 89.374 2.600 28.660 1003 HG2 PRO 20 HG2 PRO 20 90.260 -0.209 28.617 1004 HG3 PRO 20 HG1 PRO 20 89.477 0.727 27.334 1005 HD2 PRO 20 HD2 PRO 20 92.219 -0.031 27.419 1006 HD3 PRO 20 HD1 PRO 20 91.481 1.140 26.305 1007 H ARG 21 HN ARG 21 93.359 4.027 30.185 1008 HA ARG 21 HA ARG 21 93.684 2.184 32.513 1009 HB2 ARG 21 HB2 ARG 21 95.662 2.964 31.060 1010 HB3 ARG 21 HB1 ARG 21 95.451 4.539 31.824 1011 HG2 ARG 21 HG2 ARG 21 95.627 3.402 34.061 1012 HG3 ARG 21 HG1 ARG 21 96.030 1.908 33.214 1013 HD2 ARG 21 HD2 ARG 21 98.112 2.938 33.835 1014 HD3 ARG 21 HD1 ARG 21 97.922 3.173 32.097 1015 HE ARG 21 HE ARG 21 96.804 5.457 33.185 1016 HH11 ARG 21 HH21 ARG 21 99.784 3.748 33.490 1017 HH12 ARG 21 HH22 ARG 21 100.720 5.169 33.814 1018 HH21 ARG 21 HH11 ARG 21 98.008 7.321 33.610 1019 HH22 ARG 21 HH12 ARG 21 99.713 7.192 33.885 1020 H ARG 22 HN ARG 22 91.860 2.881 33.747 1021 HA ARG 22 HA ARG 22 91.268 5.630 34.304 1022 HB2 ARG 22 HB2 ARG 22 90.606 3.043 35.723 1023 HB3 ARG 22 HB1 ARG 22 90.067 4.606 36.339 1024 HG2 ARG 22 HG2 ARG 22 88.982 5.074 34.159 1025 HG3 ARG 22 HG1 ARG 22 89.472 3.481 33.586 1026 HD2 ARG 22 HD2 ARG 22 88.208 2.865 35.977 1027 HD3 ARG 22 HD1 ARG 22 87.242 4.216 35.391 1028 HE ARG 22 HE ARG 22 87.032 1.585 34.438 1029 HH11 ARG 22 HH21 ARG 22 87.675 4.713 33.117 1030 HH12 ARG 22 HH22 ARG 22 87.161 4.281 31.525 1031 HH21 ARG 22 HH11 ARG 22 86.348 1.026 32.374 1032 HH22 ARG 22 HH12 ARG 22 86.404 2.204 31.105 1033 H ASP 23 HN ASP 23 91.669 3.953 37.246 1034 HA ASP 23 HA ASP 23 94.392 4.702 37.838 1035 HB2 ASP 23 HB2 ASP 23 93.179 6.951 37.735 1036 HB3 ASP 23 HB1 ASP 23 92.295 6.429 39.169 1037 H VAL 24 HN VAL 24 95.018 3.876 39.878 1038 HA VAL 24 HA VAL 24 93.257 1.857 40.992 1039 HB VAL 24 HB VAL 24 95.118 1.630 42.701 1040 HG11 VAL 24 HG11 VAL 24 95.189 0.224 40.760 1041 HG12 VAL 24 HG12 VAL 24 96.810 0.893 40.948 1042 HG13 VAL 24 HG13 VAL 24 95.716 1.558 39.735 1043 HG21 VAL 24 HG21 VAL 24 96.501 3.661 40.926 1044 HG22 VAL 24 HG22 VAL 24 97.133 2.921 42.397 1045 HG23 VAL 24 HG23 VAL 24 95.795 4.065 42.491 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 112.562 13.063 43.008 2 H2 GLY 1 HT2 GLY 1 111.610 11.781 42.430 3 H3 GLY 1 HT3 GLY 1 112.373 12.834 41.337 4 HA2 GLY 1 HA2 GLY 1 113.336 10.380 42.571 5 HA3 GLY 1 HA1 GLY 1 114.116 11.446 41.370 6 H ILE 2 HN ILE 2 115.798 10.156 42.798 7 HA ILE 2 HA ILE 2 117.671 12.309 42.664 8 HB ILE 2 HB ILE 2 116.457 12.957 44.753 9 HG12 ILE 2 HG12 ILE 2 119.198 11.990 45.574 10 HG13 ILE 2 HG11 ILE 2 119.033 13.229 44.330 11 HG21 ILE 2 HG21 ILE 2 116.246 11.570 46.607 12 HG22 ILE 2 HG22 ILE 2 117.627 10.573 46.163 13 HG23 ILE 2 HG23 ILE 2 116.098 10.391 45.305 14 HD11 ILE 2 HD11 ILE 2 119.298 14.264 46.542 15 HD12 ILE 2 HD12 ILE 2 117.899 13.371 47.141 16 HD13 ILE 2 HD13 ILE 2 117.692 14.603 45.896 17 HA PRO 3 HA PRO 3 118.824 7.658 42.813 18 HB2 PRO 3 HB2 PRO 3 119.842 7.831 40.151 19 HB3 PRO 3 HB1 PRO 3 118.366 7.000 40.663 20 HG2 PRO 3 HG2 PRO 3 118.641 9.588 39.256 21 HG3 PRO 3 HG1 PRO 3 117.221 8.537 39.390 22 HD2 PRO 3 HD2 PRO 3 117.547 10.973 40.749 23 HD3 PRO 3 HD1 PRO 3 116.408 9.684 41.193 24 H GLU 4 HN GLU 4 120.708 9.557 40.524 25 HA GLU 4 HA GLU 4 122.949 10.346 40.699 26 HB2 GLU 4 HB2 GLU 4 122.018 10.962 43.183 27 HB3 GLU 4 HB1 GLU 4 123.121 9.664 43.633 28 HG2 GLU 4 HG2 GLU 4 123.886 12.083 41.967 29 HG3 GLU 4 HG1 GLU 4 124.222 11.895 43.689 30 H PHE 5 HN PHE 5 122.004 7.701 42.781 31 HA PHE 5 HA PHE 5 124.175 5.939 42.644 32 HB2 PHE 5 HB2 PHE 5 121.167 5.803 42.966 33 HB3 PHE 5 HB1 PHE 5 122.028 4.274 42.658 34 HD1 PHE 5 HD1 PHE 5 124.335 4.070 44.091 35 HD2 PHE 5 HD2 PHE 5 120.875 6.359 45.216 36 HE1 PHE 5 HE1 PHE 5 125.040 3.972 46.466 37 HE2 PHE 5 HE2 PHE 5 121.582 6.259 47.590 38 HZ PHE 5 HZ PHE 5 123.664 5.065 48.215 39 H PHE 6 HN PHE 6 121.758 6.929 40.412 40 HA PHE 6 HA PHE 6 122.111 6.930 38.037 41 HB2 PHE 6 HB2 PHE 6 123.172 5.250 36.835 42 HB3 PHE 6 HB1 PHE 6 124.139 5.389 38.284 43 HD1 PHE 6 HD2 PHE 6 121.701 3.763 39.906 44 HD2 PHE 6 HD1 PHE 6 124.192 3.046 36.465 45 HE1 PHE 6 HE2 PHE 6 121.428 1.339 40.210 46 HE2 PHE 6 HE1 PHE 6 123.906 0.609 36.787 47 HZ PHE 6 HZ PHE 6 122.525 -0.245 38.656 48 H GLN 7 HN GLN 7 121.416 4.438 36.655 49 HA GLN 7 HA GLN 7 119.496 3.119 36.187 50 HB2 GLN 7 HB2 GLN 7 119.161 3.268 38.853 51 HB3 GLN 7 HB1 GLN 7 117.888 4.399 38.399 52 HG2 GLN 7 HG2 GLN 7 116.972 2.652 36.846 53 HG3 GLN 7 HG1 GLN 7 118.163 1.520 37.489 54 HE21 GLN 7 HE21 GLN 7 117.057 0.152 38.906 55 HE22 GLN 7 HE22 GLN 7 115.959 0.668 40.092 56 H PHE 8 HN PHE 8 120.081 6.281 36.440 57 HA PHE 8 HA PHE 8 118.182 6.995 34.346 58 HB2 PHE 8 HB2 PHE 8 117.017 7.474 36.577 59 HB3 PHE 8 HB1 PHE 8 118.273 8.681 36.855 60 HD1 PHE 8 HD1 PHE 8 118.594 10.532 35.135 61 HD2 PHE 8 HD2 PHE 8 115.160 7.951 35.173 62 HE1 PHE 8 HE1 PHE 8 117.356 12.158 33.731 63 HE2 PHE 8 HE2 PHE 8 113.922 9.578 33.769 64 HZ PHE 8 HZ PHE 8 115.020 11.682 33.049 65 H THR 9 HN THR 9 120.720 7.913 36.556 66 HA THR 9 HA THR 9 121.777 9.950 34.701 67 HB THR 9 HB THR 9 123.182 8.797 37.128 68 HG1 THR 9 HG1 THR 9 121.270 9.467 37.942 69 HG21 THR 9 HG21 THR 9 124.137 11.113 37.185 70 HG22 THR 9 HG22 THR 9 123.282 11.457 35.681 71 HG23 THR 9 HG23 THR 9 124.544 10.226 35.717 72 H VAL 10 HN VAL 10 121.553 6.738 34.781 73 HA VAL 10 HA VAL 10 123.911 5.421 34.464 74 HB VAL 10 HB VAL 10 121.721 4.395 34.098 75 HG11 VAL 10 HG11 VAL 10 121.156 4.781 31.361 76 HG12 VAL 10 HG12 VAL 10 121.470 6.392 31.987 77 HG13 VAL 10 HG13 VAL 10 120.228 5.398 32.723 78 HG21 VAL 10 HG21 VAL 10 123.745 3.247 33.295 79 HG22 VAL 10 HG22 VAL 10 123.590 4.051 31.735 80 HG23 VAL 10 HG23 VAL 10 122.369 2.890 32.253 81 H GLY 11 HN GLY 11 122.621 7.847 32.330 82 HA2 GLY 11 HA2 GLY 11 124.624 9.094 31.187 83 HA3 GLY 11 HA1 GLY 11 124.918 7.532 30.429 84 HA PRO 12 HA PRO 12 121.875 8.402 27.334 85 HB2 PRO 12 HB2 PRO 12 120.438 5.995 27.240 86 HB3 PRO 12 HB1 PRO 12 121.997 6.268 26.448 87 HG2 PRO 12 HG2 PRO 12 121.405 4.771 28.956 88 HG3 PRO 12 HG1 PRO 12 122.732 4.547 27.807 89 HD2 PRO 12 HD2 PRO 12 122.977 5.787 30.302 90 HD3 PRO 12 HD1 PRO 12 124.112 5.991 28.952 91 H LEU 13 HN LEU 13 121.255 9.212 29.990 92 HA LEU 13 HA LEU 13 119.495 9.523 31.553 93 HB2 LEU 13 HB2 LEU 13 117.645 10.859 30.342 94 HB3 LEU 13 HB1 LEU 13 119.279 11.506 30.324 95 HG LEU 13 HG LEU 13 118.459 9.705 28.057 96 HD11 LEU 13 HD11 LEU 13 117.553 11.681 26.839 97 HD12 LEU 13 HD12 LEU 13 117.622 12.599 28.344 98 HD13 LEU 13 HD13 LEU 13 116.552 11.203 28.210 99 HD21 LEU 13 HD21 LEU 13 120.179 12.198 28.292 100 HD22 LEU 13 HD22 LEU 13 119.897 11.318 26.792 101 HD23 LEU 13 HD23 LEU 13 120.762 10.545 28.115 102 H GLY 14 HN GLY 14 119.388 6.835 30.691 103 HA2 GLY 14 HA2 GLY 14 117.893 5.035 30.870 104 HA3 GLY 14 HA1 GLY 14 116.647 6.196 31.351 105 H GLU 15 HN GLU 15 116.828 7.859 29.032 106 HA GLU 15 HA GLU 15 115.902 8.061 26.912 107 HB2 GLU 15 HB2 GLU 15 117.822 6.392 26.468 108 HB3 GLU 15 HB1 GLU 15 116.566 5.156 26.456 109 HG2 GLU 15 HG2 GLU 15 115.347 6.518 24.719 110 HG3 GLU 15 HG1 GLU 15 116.754 7.579 24.649 111 H GLY 16 HN GLY 16 114.814 5.858 29.226 112 HA2 GLY 16 HA2 GLY 16 112.547 5.449 29.736 113 HA3 GLY 16 HA1 GLY 16 112.093 5.975 28.114 114 H GLY 17 HN GLY 17 110.832 4.145 27.641 115 HA2 GLY 17 HA2 GLY 17 111.679 1.445 28.092 116 HA3 GLY 17 HA1 GLY 17 110.372 1.936 27.023 117 H ALA 18 HN ALA 18 112.874 3.686 25.845 118 HA ALA 18 HA ALA 18 113.167 2.259 23.473 119 HB1 ALA 18 HB1 ALA 18 115.620 3.366 23.560 120 HB2 ALA 18 HB2 ALA 18 114.889 4.234 24.909 121 HB3 ALA 18 HB3 ALA 18 114.174 4.340 23.301 122 H HIS 19 HN HIS 19 114.221 1.295 26.541 123 HA HIS 19 HA HIS 19 116.325 -0.505 25.467 124 HB2 HIS 19 HB2 HIS 19 116.907 0.675 27.507 125 HB3 HIS 19 HB1 HIS 19 115.425 0.131 28.292 126 HD1 HIS 19 HD1 HIS 19 115.532 -2.068 29.503 127 HD2 HIS 19 HD2 HIS 19 118.733 -1.583 26.876 128 HE1 HIS 19 HE1 HIS 19 117.082 -4.034 29.890 129 H LYS 20 HN LYS 20 113.180 -0.645 27.181 130 HA LYS 20 HA LYS 20 113.175 -3.570 27.119 131 HB2 LYS 20 HB2 LYS 20 110.966 -3.417 28.115 132 HB3 LYS 20 HB1 LYS 20 112.038 -2.278 28.922 133 HG2 LYS 20 HG2 LYS 20 110.344 -0.775 28.543 134 HG3 LYS 20 HG1 LYS 20 111.035 -0.677 26.935 135 HD2 LYS 20 HD2 LYS 20 109.464 -2.692 26.380 136 HD3 LYS 20 HD1 LYS 20 108.616 -2.223 27.845 137 HE2 LYS 20 HE2 LYS 20 108.798 0.212 26.676 138 HE3 LYS 20 HE1 LYS 20 108.789 -0.799 25.232 139 HZ1 LYS 20 HZ1 LYS 20 106.782 -0.846 27.419 140 HZ2 LYS 20 HZ2 LYS 20 106.784 -1.884 26.074 141 HZ3 LYS 20 HZ3 LYS 20 106.554 -0.215 25.861 142 H VAL 21 HN VAL 21 112.074 -1.010 25.017 143 HA VAL 21 HA VAL 21 110.145 -2.609 23.583 144 HB VAL 21 HB VAL 21 110.435 -0.031 23.546 145 HG11 VAL 21 HG11 VAL 21 111.942 0.928 22.007 146 HG12 VAL 21 HG12 VAL 21 112.256 -0.610 21.210 147 HG13 VAL 21 HG13 VAL 21 112.906 -0.303 22.822 148 HG21 VAL 21 HG21 VAL 21 109.707 0.010 21.075 149 HG22 VAL 21 HG22 VAL 21 108.754 -0.994 22.168 150 HG23 VAL 21 HG23 VAL 21 109.944 -1.738 21.099 151 H ARG 22 HN ARG 22 110.626 -4.383 22.517 152 HA ARG 22 HA ARG 22 113.358 -4.781 21.418 153 HB2 ARG 22 HB2 ARG 22 112.326 -6.503 22.899 154 HB3 ARG 22 HB1 ARG 22 111.032 -6.696 21.724 155 HG2 ARG 22 HG2 ARG 22 112.459 -8.432 21.083 156 HG3 ARG 22 HG1 ARG 22 113.049 -7.146 20.037 157 HD2 ARG 22 HD2 ARG 22 115.015 -8.021 20.995 158 HD3 ARG 22 HD1 ARG 22 114.682 -6.604 21.987 159 HE ARG 22 HE ARG 22 113.375 -8.648 23.316 160 HH11 ARG 22 HH21 ARG 22 116.550 -8.094 22.091 161 HH12 ARG 22 HH22 ARG 22 117.330 -9.048 23.307 162 HH21 ARG 22 HH11 ARG 22 114.376 -9.897 24.913 163 HH22 ARG 22 HH12 ARG 22 116.100 -10.069 24.905 164 H ALA 23 HN ALA 23 113.724 -4.878 19.243 165 HA ALA 23 HA ALA 23 111.457 -5.185 17.358 166 HB1 ALA 23 HB1 ALA 23 111.617 -2.748 17.695 167 HB2 ALA 23 HB2 ALA 23 112.156 -3.181 16.073 168 HB3 ALA 23 HB3 ALA 23 113.340 -2.801 17.323 169 H GLY 24 HN GLY 24 112.191 -6.847 16.127 170 HA2 GLY 24 HA2 GLY 24 114.726 -6.595 14.702 171 HA3 GLY 24 HA1 GLY 24 114.734 -7.879 15.912 172 H GLY 25 HN GLY 25 114.594 -7.738 12.789 173 HA2 GLY 25 HA2 GLY 25 113.162 -10.182 12.435 174 HA3 GLY 25 HA1 GLY 25 112.126 -8.843 11.938 175 H THR 26 HN THR 26 112.755 -10.533 9.960 176 HA THR 26 HA THR 26 115.224 -9.816 8.590 177 HB THR 26 HB THR 26 112.784 -11.158 7.410 178 HG1 THR 26 HG1 THR 26 113.429 -12.981 8.319 179 HG21 THR 26 HG21 THR 26 114.476 -10.474 5.789 180 HG22 THR 26 HG22 THR 26 114.509 -12.228 5.968 181 HG23 THR 26 HG23 THR 26 115.741 -11.238 6.751 182 H GLY 27 HN GLY 27 112.053 -8.479 8.807 183 HA2 GLY 27 HA2 GLY 27 112.029 -7.168 6.221 184 HA3 GLY 27 HA1 GLY 27 110.984 -6.785 7.589 185 H LEU 28 HN LEU 28 113.540 -6.559 9.256 186 HA LEU 28 HA LEU 28 113.962 -3.684 8.705 187 HB2 LEU 28 HB2 LEU 28 115.087 -5.445 10.906 188 HB3 LEU 28 HB1 LEU 28 115.154 -3.692 10.845 189 HG LEU 28 HG LEU 28 112.668 -5.399 11.087 190 HD11 LEU 28 HD11 LEU 28 112.477 -4.505 13.284 191 HD12 LEU 28 HD12 LEU 28 113.698 -3.272 12.970 192 HD13 LEU 28 HD13 LEU 28 114.171 -4.964 13.117 193 HD21 LEU 28 HD21 LEU 28 113.046 -2.470 10.488 194 HD22 LEU 28 HD22 LEU 28 111.645 -2.989 11.421 195 HD23 LEU 28 HD23 LEU 28 111.894 -3.605 9.790 196 H GLU 29 HN GLU 29 115.453 -6.662 7.980 197 HA GLU 29 HA GLU 29 118.178 -5.578 7.839 198 HB2 GLU 29 HB2 GLU 29 117.053 -8.205 6.823 199 HB3 GLU 29 HB1 GLU 29 118.764 -7.794 6.963 200 HG2 GLU 29 HG2 GLU 29 118.294 -7.347 9.448 201 HG3 GLU 29 HG1 GLU 29 116.752 -8.160 9.189 202 H ARG 30 HN ARG 30 116.026 -7.044 5.342 203 HA ARG 30 HA ARG 30 116.808 -4.859 3.484 204 HB2 ARG 30 HB2 ARG 30 117.223 -7.775 2.766 205 HB3 ARG 30 HB1 ARG 30 117.592 -6.376 1.760 206 HG2 ARG 30 HG2 ARG 30 119.204 -5.620 3.553 207 HG3 ARG 30 HG1 ARG 30 118.940 -7.170 4.354 208 HD2 ARG 30 HD2 ARG 30 119.566 -8.249 2.105 209 HD3 ARG 30 HD1 ARG 30 120.168 -6.656 1.643 210 HE ARG 30 HE ARG 30 121.383 -7.130 4.084 211 HH11 ARG 30 HH21 ARG 30 121.053 -8.806 1.090 212 HH12 ARG 30 HH22 ARG 30 122.585 -9.605 1.215 213 HH21 ARG 30 HH11 ARG 30 123.385 -8.165 4.267 214 HH22 ARG 30 HH12 ARG 30 123.906 -9.243 3.014 215 H GLY 31 HN GLY 31 115.560 -5.004 1.419 216 HA2 GLY 31 HA2 GLY 31 113.075 -6.640 1.562 217 HA3 GLY 31 HA1 GLY 31 112.909 -4.886 1.430 218 H VAL 32 HN VAL 32 111.897 -6.388 -0.670 219 HA VAL 32 HA VAL 32 113.881 -5.793 -2.831 220 HB VAL 32 HB VAL 32 112.278 -8.312 -2.427 221 HG11 VAL 32 HG11 VAL 32 113.234 -8.966 -4.705 222 HG12 VAL 32 HG12 VAL 32 113.572 -7.254 -4.947 223 HG13 VAL 32 HG13 VAL 32 111.914 -7.800 -4.738 224 HG21 VAL 32 HG21 VAL 32 115.194 -8.000 -3.130 225 HG22 VAL 32 HG22 VAL 32 114.380 -9.411 -2.462 226 HG23 VAL 32 HG23 VAL 32 114.628 -7.982 -1.461 227 H ALA 33 HN ALA 33 113.031 -5.183 -4.820 228 HA ALA 33 HA ALA 33 110.977 -3.397 -5.000 229 HB1 ALA 33 HB1 ALA 33 112.047 -3.508 -7.032 230 HB2 ALA 33 HB2 ALA 33 110.698 -4.550 -7.466 231 HB3 ALA 33 HB3 ALA 33 112.229 -5.256 -6.949 232 H GLY 34 HN GLY 34 108.955 -3.513 -4.310 233 HA2 GLY 34 HA2 GLY 34 106.782 -4.245 -3.938 234 HA3 GLY 34 HA1 GLY 34 106.924 -4.950 -5.544 235 H VAL 35 HN VAL 35 108.456 -5.752 -2.416 236 HA VAL 35 HA VAL 35 107.311 -8.496 -2.683 237 HB VAL 35 HB VAL 35 110.104 -7.645 -1.956 238 HG11 VAL 35 HG11 VAL 35 110.424 -10.128 -1.395 239 HG12 VAL 35 HG12 VAL 35 108.667 -10.220 -1.274 240 HG13 VAL 35 HG13 VAL 35 109.571 -9.164 -0.189 241 HG21 VAL 35 HG21 VAL 35 108.924 -9.683 -3.875 242 HG22 VAL 35 HG22 VAL 35 110.648 -9.427 -3.629 243 HG23 VAL 35 HG23 VAL 35 109.654 -8.141 -4.314 244 HA PRO 36 HA PRO 36 105.743 -6.731 1.227 245 HB2 PRO 36 HB2 PRO 36 104.299 -9.260 1.610 246 HB3 PRO 36 HB1 PRO 36 103.641 -7.634 1.377 247 HG2 PRO 36 HG2 PRO 36 103.615 -9.727 -0.537 248 HG3 PRO 36 HG1 PRO 36 103.238 -8.025 -0.848 249 HD2 PRO 36 HD2 PRO 36 105.614 -9.541 -1.643 250 HD3 PRO 36 HD1 PRO 36 105.125 -7.907 -2.148 251 H ALA 37 HN ALA 37 106.541 -6.978 3.293 252 HA ALA 37 HA ALA 37 107.755 -9.580 4.073 253 HB1 ALA 37 HB1 ALA 37 109.693 -8.624 3.131 254 HB2 ALA 37 HB2 ALA 37 109.832 -8.217 4.840 255 HB3 ALA 37 HB3 ALA 37 109.273 -7.005 3.686 256 H GLU 38 HN GLU 38 108.658 -9.288 6.459 257 HA GLU 38 HA GLU 38 107.182 -7.238 7.980 258 HB2 GLU 38 HB2 GLU 38 105.797 -8.712 9.224 259 HB3 GLU 38 HB1 GLU 38 105.605 -9.232 7.548 260 HG2 GLU 38 HG2 GLU 38 107.562 -10.878 8.095 261 HG3 GLU 38 HG1 GLU 38 107.160 -10.538 9.783 262 H PHE 39 HN PHE 39 107.596 -7.393 10.300 263 HA PHE 39 HA PHE 39 109.947 -8.987 11.099 264 HB2 PHE 39 HB2 PHE 39 110.892 -6.871 12.241 265 HB3 PHE 39 HB1 PHE 39 111.168 -7.067 10.516 266 HD1 PHE 39 HD2 PHE 39 109.280 -6.001 8.962 267 HD2 PHE 39 HD1 PHE 39 110.080 -4.813 13.005 268 HE1 PHE 39 HE2 PHE 39 108.227 -3.810 8.519 269 HE2 PHE 39 HE1 PHE 39 109.040 -2.611 12.555 270 HZ PHE 39 HZ PHE 39 108.108 -2.108 10.316 271 H SER 40 HN SER 40 110.258 -8.131 13.645 272 HA SER 40 HA SER 40 107.485 -8.375 14.788 273 HB2 SER 40 HB2 SER 40 110.071 -9.510 15.876 274 HB3 SER 40 HB1 SER 40 108.472 -9.704 16.588 275 HG SER 40 HG SER 40 109.640 -11.033 14.528 276 H ILE 41 HN ILE 41 107.053 -7.328 16.755 277 HA ILE 41 HA ILE 41 109.100 -5.479 17.870 278 HB ILE 41 HB ILE 41 106.331 -4.638 16.939 279 HG12 ILE 41 HG12 ILE 41 109.081 -3.548 16.253 280 HG13 ILE 41 HG11 ILE 41 108.175 -4.666 15.231 281 HG21 ILE 41 HG21 ILE 41 108.359 -3.292 18.744 282 HG22 ILE 41 HG22 ILE 41 106.653 -3.593 19.067 283 HG23 ILE 41 HG23 ILE 41 107.121 -2.373 17.890 284 HD11 ILE 41 HD11 ILE 41 107.205 -1.930 16.112 285 HD12 ILE 41 HD12 ILE 41 106.336 -3.043 15.057 286 HD13 ILE 41 HD13 ILE 41 107.847 -2.313 14.518 287 H TRP 42 HN TRP 42 109.117 -6.828 19.726 288 HA TRP 42 HA TRP 42 106.539 -7.242 21.160 289 HB2 TRP 42 HB2 TRP 42 107.839 -9.228 21.086 290 HB3 TRP 42 HB1 TRP 42 109.327 -8.366 21.456 291 HD1 TRP 42 HD1 TRP 42 105.934 -8.255 23.308 292 HE1 TRP 42 HE1 TRP 42 106.344 -8.864 25.779 293 HE3 TRP 42 HE3 TRP 42 110.927 -9.314 23.139 294 HZ2 TRP 42 HZ2 TRP 42 108.504 -9.691 27.462 295 HZ3 TRP 42 HZ3 TRP 42 112.135 -10.008 25.189 296 HH2 TRP 42 HH2 TRP 42 110.931 -10.198 27.348 297 H THR 43 HN THR 43 106.117 -6.232 23.133 298 HA THR 43 HA THR 43 108.195 -4.747 24.554 299 HB THR 43 HB THR 43 107.892 -2.980 23.060 300 HG1 THR 43 HG1 THR 43 106.350 -1.551 24.089 301 HG21 THR 43 HG21 THR 43 105.579 -2.403 22.169 302 HG22 THR 43 HG22 THR 43 105.022 -3.917 22.883 303 HG23 THR 43 HG23 THR 43 106.246 -3.938 21.613 304 H ARG 44 HN ARG 44 107.635 -4.734 26.688 305 HA ARG 44 HA ARG 44 104.946 -4.302 27.630 306 HB2 ARG 44 HB2 ARG 44 104.695 -6.629 26.767 307 HB3 ARG 44 HB1 ARG 44 105.988 -7.143 27.850 308 HG2 ARG 44 HG2 ARG 44 104.702 -6.607 29.794 309 HG3 ARG 44 HG1 ARG 44 103.498 -5.740 28.840 310 HD2 ARG 44 HD2 ARG 44 102.849 -7.840 27.731 311 HD3 ARG 44 HD1 ARG 44 104.063 -8.715 28.663 312 HE ARG 44 HE ARG 44 102.509 -7.478 30.596 313 HH11 ARG 44 HH21 ARG 44 101.966 -9.518 27.870 314 HH12 ARG 44 HH22 ARG 44 100.566 -10.278 28.549 315 HH21 ARG 44 HH11 ARG 44 100.684 -8.459 31.500 316 HH22 ARG 44 HH12 ARG 44 99.840 -9.679 30.605 317 H GLU 45 HN GLU 45 106.489 -2.800 28.773 318 HA GLU 45 HA GLU 45 107.107 -3.852 31.405 319 HB2 GLU 45 HB2 GLU 45 109.094 -4.516 29.854 320 HB3 GLU 45 HB1 GLU 45 109.514 -2.804 29.911 321 HG2 GLU 45 HG2 GLU 45 110.736 -3.838 31.687 322 HG3 GLU 45 HG1 GLU 45 109.391 -2.992 32.453 323 H ALA 46 HN ALA 46 108.085 -1.184 29.206 324 HA ALA 46 HA ALA 46 108.247 0.814 31.212 325 HB1 ALA 46 HB1 ALA 46 107.969 2.434 29.376 326 HB2 ALA 46 HB2 ALA 46 107.410 1.141 28.315 327 HB3 ALA 46 HB3 ALA 46 109.073 1.145 28.901 328 H GLY 47 HN GLY 47 105.556 0.217 28.938 329 HA2 GLY 47 HA2 GLY 47 103.339 -0.017 30.353 330 HA3 GLY 47 HA1 GLY 47 103.723 1.648 30.798 331 H ALA 48 HN ALA 48 101.658 2.200 29.711 332 HA ALA 48 HA ALA 48 101.230 1.748 26.913 333 HB1 ALA 48 HB1 ALA 48 99.505 2.522 28.622 334 HB2 ALA 48 HB2 ALA 48 99.478 3.377 27.080 335 HB3 ALA 48 HB3 ALA 48 100.223 4.128 28.491 336 H GLY 49 HN GLY 49 101.284 3.520 25.231 337 HA2 GLY 49 HA2 GLY 49 102.730 5.927 25.503 338 HA3 GLY 49 HA1 GLY 49 103.908 4.683 25.086 339 H GLY 50 HN GLY 50 103.796 6.505 23.215 340 HA2 GLY 50 HA2 GLY 50 101.930 5.485 21.089 341 HA3 GLY 50 HA1 GLY 50 102.494 7.153 21.177 342 H LEU 51 HN LEU 51 102.933 4.450 19.443 343 HA LEU 51 HA LEU 51 105.894 4.722 19.147 344 HB2 LEU 51 HB2 LEU 51 104.818 2.437 19.388 345 HB3 LEU 51 HB1 LEU 51 104.019 2.727 17.847 346 HG LEU 51 HG LEU 51 106.448 3.217 16.963 347 HD11 LEU 51 HD11 LEU 51 106.983 1.619 19.486 348 HD12 LEU 51 HD12 LEU 51 107.639 3.201 19.070 349 HD13 LEU 51 HD13 LEU 51 108.133 1.777 18.161 350 HD21 LEU 51 HD21 LEU 51 105.544 0.414 17.697 351 HD22 LEU 51 HD22 LEU 51 106.751 0.806 16.472 352 HD23 LEU 51 HD23 LEU 51 105.074 1.304 16.248 353 H SER 52 HN SER 52 106.209 6.530 17.886 354 HA SER 52 HA SER 52 104.530 6.997 15.509 355 HB2 SER 52 HB2 SER 52 106.761 8.518 16.842 356 HB3 SER 52 HB1 SER 52 106.138 8.985 15.262 357 HG SER 52 HG SER 52 104.001 8.818 16.433 358 H ILE 53 HN ILE 53 105.272 6.659 13.347 359 HA ILE 53 HA ILE 53 108.084 5.641 13.073 360 HB ILE 53 HB ILE 53 105.594 4.474 11.795 361 HG12 ILE 53 HG12 ILE 53 107.538 3.184 13.728 362 HG13 ILE 53 HG11 ILE 53 106.034 3.946 14.247 363 HG21 ILE 53 HG21 ILE 53 108.546 3.908 11.480 364 HG22 ILE 53 HG22 ILE 53 107.372 4.285 10.220 365 HG23 ILE 53 HG23 ILE 53 107.312 2.727 11.043 366 HD11 ILE 53 HD11 ILE 53 106.138 1.773 12.143 367 HD12 ILE 53 HD12 ILE 53 104.711 2.407 12.964 368 HD13 ILE 53 HD13 ILE 53 105.887 1.441 13.857 369 H ALA 54 HN ALA 54 109.010 7.252 11.887 370 HA ALA 54 HA ALA 54 107.460 8.524 9.685 371 HB1 ALA 54 HB1 ALA 54 109.313 10.162 9.652 372 HB2 ALA 54 HB2 ALA 54 110.150 9.239 10.899 373 HB3 ALA 54 HB3 ALA 54 108.616 10.026 11.266 374 H VAL 55 HN VAL 55 107.608 7.269 7.883 375 HA VAL 55 HA VAL 55 110.207 5.986 7.196 376 HB VAL 55 HB VAL 55 108.573 5.088 5.262 377 HG11 VAL 55 HG11 VAL 55 108.040 3.163 6.705 378 HG12 VAL 55 HG12 VAL 55 108.452 4.109 8.135 379 HG13 VAL 55 HG13 VAL 55 109.703 3.690 6.965 380 HG21 VAL 55 HG21 VAL 55 106.286 4.992 5.875 381 HG22 VAL 55 HG22 VAL 55 106.752 6.657 6.215 382 HG23 VAL 55 HG23 VAL 55 106.617 5.495 7.533 383 H GLU 56 HN GLU 56 111.319 6.533 5.343 384 HA GLU 56 HA GLU 56 110.135 8.516 3.485 385 HB2 GLU 56 HB2 GLU 56 111.249 10.116 4.750 386 HB3 GLU 56 HB1 GLU 56 112.487 8.992 5.283 387 HG2 GLU 56 HG2 GLU 56 113.629 9.121 3.167 388 HG3 GLU 56 HG1 GLU 56 112.278 9.961 2.423 389 H GLY 57 HN GLY 57 110.932 8.302 1.383 390 HA2 GLY 57 HA2 GLY 57 113.263 7.092 0.485 391 HA3 GLY 57 HA1 GLY 57 112.158 5.748 0.773 392 HA PRO 58 HA PRO 58 111.593 7.517 -3.543 393 HB2 PRO 58 HB2 PRO 58 111.416 4.702 -4.378 394 HB3 PRO 58 HB1 PRO 58 112.522 5.978 -4.901 395 HG2 PRO 58 HG2 PRO 58 113.188 3.779 -3.235 396 HG3 PRO 58 HG1 PRO 58 114.201 5.200 -3.534 397 HD2 PRO 58 HD2 PRO 58 112.692 4.510 -1.110 398 HD3 PRO 58 HD1 PRO 58 113.914 5.778 -1.331 399 H SER 59 HN SER 59 109.938 5.094 -1.624 400 HA SER 59 HA SER 59 107.357 6.073 -2.767 401 HB2 SER 59 HB2 SER 59 107.786 3.116 -2.386 402 HB3 SER 59 HB1 SER 59 106.534 3.940 -3.310 403 HG SER 59 HG SER 59 108.068 4.522 -4.819 404 H LYS 60 HN LYS 60 105.475 5.166 -1.434 405 HA LYS 60 HA LYS 60 106.162 5.500 1.425 406 HB2 LYS 60 HB2 LYS 60 103.404 5.112 0.238 407 HB3 LYS 60 HB1 LYS 60 103.828 5.863 1.775 408 HG2 LYS 60 HG2 LYS 60 104.954 7.705 0.570 409 HG3 LYS 60 HG1 LYS 60 104.545 6.948 -0.967 410 HD2 LYS 60 HD2 LYS 60 102.796 8.476 -0.767 411 HD3 LYS 60 HD1 LYS 60 102.069 7.052 -0.027 412 HE2 LYS 60 HE2 LYS 60 102.879 7.929 2.214 413 HE3 LYS 60 HE1 LYS 60 103.331 9.418 1.387 414 HZ1 LYS 60 HZ1 LYS 60 100.865 8.805 2.397 415 HZ2 LYS 60 HZ2 LYS 60 100.685 8.591 0.722 416 HZ3 LYS 60 HZ3 LYS 60 101.228 10.079 1.338 417 H ALA 61 HN ALA 61 106.978 3.537 2.175 418 HA ALA 61 HA ALA 61 106.030 0.969 1.357 419 HB1 ALA 61 HB1 ALA 61 107.114 0.210 3.548 420 HB2 ALA 61 HB2 ALA 61 107.509 1.907 3.823 421 HB3 ALA 61 HB3 ALA 61 108.167 1.064 2.420 422 H GLU 62 HN GLU 62 104.458 -0.385 2.251 423 HA GLU 62 HA GLU 62 102.343 0.949 3.769 424 HB2 GLU 62 HB2 GLU 62 102.004 -0.766 1.894 425 HB3 GLU 62 HB1 GLU 62 102.501 -1.987 3.061 426 HG2 GLU 62 HG2 GLU 62 100.638 -1.537 4.481 427 HG3 GLU 62 HG1 GLU 62 100.257 -0.038 3.633 428 H ILE 63 HN ILE 63 101.393 -0.372 5.694 429 HA ILE 63 HA ILE 63 103.423 -1.771 7.332 430 HB ILE 63 HB ILE 63 101.956 0.667 8.388 431 HG12 ILE 63 HG12 ILE 63 104.800 0.376 7.366 432 HG13 ILE 63 HG11 ILE 63 103.554 1.462 6.751 433 HG21 ILE 63 HG21 ILE 63 104.345 -0.797 9.531 434 HG22 ILE 63 HG22 ILE 63 102.684 -1.205 9.960 435 HG23 ILE 63 HG23 ILE 63 103.322 0.393 10.335 436 HD11 ILE 63 HD11 ILE 63 103.511 2.465 9.127 437 HD12 ILE 63 HD12 ILE 63 104.903 2.846 8.113 438 HD13 ILE 63 HD13 ILE 63 105.039 1.618 9.372 439 H ALA 64 HN ALA 64 102.363 -3.279 8.776 440 HA ALA 64 HA ALA 64 99.464 -2.911 9.187 441 HB1 ALA 64 HB1 ALA 64 100.650 -5.118 7.536 442 HB2 ALA 64 HB2 ALA 64 99.241 -4.121 7.193 443 HB3 ALA 64 HB3 ALA 64 99.149 -5.384 8.420 444 H PHE 65 HN PHE 65 99.340 -3.142 11.362 445 HA PHE 65 HA PHE 65 101.168 -4.928 12.809 446 HB2 PHE 65 HB2 PHE 65 100.152 -3.998 14.817 447 HB3 PHE 65 HB1 PHE 65 100.551 -2.688 13.705 448 HD1 PHE 65 HD1 PHE 65 98.779 -1.569 12.385 449 HD2 PHE 65 HD2 PHE 65 97.858 -4.572 15.314 450 HE1 PHE 65 HE1 PHE 65 96.403 -0.859 12.366 451 HE2 PHE 65 HE2 PHE 65 95.482 -3.863 15.295 452 HZ PHE 65 HZ PHE 65 94.754 -2.006 13.821 453 H GLU 66 HN GLU 66 100.699 -7.004 13.229 454 HA GLU 66 HA GLU 66 97.862 -7.817 13.649 455 HB2 GLU 66 HB2 GLU 66 98.448 -8.287 11.263 456 HB3 GLU 66 HB1 GLU 66 99.785 -9.294 11.821 457 HG2 GLU 66 HG2 GLU 66 98.239 -10.782 12.977 458 HG3 GLU 66 HG1 GLU 66 96.878 -9.741 12.557 459 H ASP 67 HN ASP 67 97.832 -8.828 15.593 460 HA ASP 67 HA ASP 67 100.271 -9.736 16.876 461 HB2 ASP 67 HB2 ASP 67 98.771 -10.471 18.689 462 HB3 ASP 67 HB1 ASP 67 98.364 -8.835 18.168 463 H ARG 68 HN ARG 68 101.255 -11.594 16.265 464 HA ARG 68 HA ARG 68 99.573 -13.899 15.342 465 HB2 ARG 68 HB2 ARG 68 101.395 -12.893 13.828 466 HB3 ARG 68 HB1 ARG 68 102.556 -13.589 14.960 467 HG2 ARG 68 HG2 ARG 68 101.550 -15.823 14.610 468 HG3 ARG 68 HG1 ARG 68 100.412 -15.123 13.458 469 HD2 ARG 68 HD2 ARG 68 102.243 -16.081 12.200 470 HD3 ARG 68 HD1 ARG 68 102.384 -14.325 12.109 471 HE ARG 68 HE ARG 68 103.946 -14.993 14.294 472 HH11 ARG 68 HH21 ARG 68 103.704 -15.982 11.000 473 HH12 ARG 68 HH22 ARG 68 105.388 -16.358 10.851 474 HH21 ARG 68 HH11 ARG 68 106.146 -15.476 14.118 475 HH22 ARG 68 HH12 ARG 68 106.771 -16.071 12.616 476 H LYS 69 HN LYS 69 101.516 -12.766 17.912 477 HA LYS 69 HA LYS 69 101.773 -15.550 19.016 478 HB2 LYS 69 HB2 LYS 69 103.556 -13.188 19.665 479 HB3 LYS 69 HB1 LYS 69 103.795 -14.871 20.128 480 HG2 LYS 69 HG2 LYS 69 103.807 -15.359 17.573 481 HG3 LYS 69 HG1 LYS 69 104.055 -13.623 17.393 482 HD2 LYS 69 HD2 LYS 69 106.264 -14.361 17.476 483 HD3 LYS 69 HD1 LYS 69 105.978 -14.015 19.179 484 HE2 LYS 69 HE2 LYS 69 106.919 -16.160 19.260 485 HE3 LYS 69 HE1 LYS 69 105.195 -16.523 19.284 486 HZ1 LYS 69 HZ1 LYS 69 106.683 -17.765 17.633 487 HZ2 LYS 69 HZ2 LYS 69 106.657 -16.325 16.731 488 HZ3 LYS 69 HZ3 LYS 69 105.208 -17.145 17.071 489 H ASP 70 HN ASP 70 100.188 -12.630 19.302 490 HA ASP 70 HA ASP 70 98.725 -11.867 20.979 491 HB2 ASP 70 HB2 ASP 70 98.786 -14.517 21.479 492 HB3 ASP 70 HB1 ASP 70 99.604 -13.971 22.936 493 H GLY 71 HN GLY 71 102.061 -12.529 21.477 494 HA2 GLY 71 HA2 GLY 71 102.196 -10.475 23.662 495 HA3 GLY 71 HA1 GLY 71 103.301 -11.840 23.538 496 H SER 72 HN SER 72 103.800 -11.767 20.755 497 HA SER 72 HA SER 72 105.521 -9.342 20.624 498 HB2 SER 72 HB2 SER 72 105.468 -11.713 18.738 499 HB3 SER 72 HB1 SER 72 106.737 -10.503 18.899 500 HG SER 72 HG SER 72 107.483 -12.059 20.169 501 H CYS 73 HN CYS 73 104.930 -7.646 19.363 502 HA CYS 73 HA CYS 73 102.525 -7.861 17.689 503 HB2 CYS 73 HB2 CYS 73 103.180 -5.840 19.134 504 HB3 CYS 73 HB1 CYS 73 104.366 -5.472 17.883 505 HG CYS 73 HG CYS 73 102.441 -4.325 16.797 506 H GLY 74 HN GLY 74 102.626 -8.502 15.606 507 HA2 GLY 74 HA2 GLY 74 105.232 -8.359 14.160 508 HA3 GLY 74 HA1 GLY 74 103.861 -9.367 13.704 509 H VAL 75 HN VAL 75 105.507 -6.611 12.886 510 HA VAL 75 HA VAL 75 103.103 -5.279 11.690 511 HB VAL 75 HB VAL 75 104.260 -3.673 12.936 512 HG11 VAL 75 HG11 VAL 75 106.788 -4.902 11.832 513 HG12 VAL 75 HG12 VAL 75 106.210 -4.966 13.497 514 HG13 VAL 75 HG13 VAL 75 106.733 -3.435 12.803 515 HG21 VAL 75 HG21 VAL 75 105.026 -2.100 11.346 516 HG22 VAL 75 HG22 VAL 75 103.924 -3.126 10.427 517 HG23 VAL 75 HG23 VAL 75 105.667 -3.351 10.280 518 H SER 76 HN SER 76 102.711 -6.210 9.768 519 HA SER 76 HA SER 76 104.916 -7.007 8.005 520 HB2 SER 76 HB2 SER 76 102.607 -8.202 8.274 521 HB3 SER 76 HB1 SER 76 102.017 -6.948 7.192 522 HG SER 76 HG SER 76 104.373 -8.052 6.373 523 H TYR 77 HN TYR 77 105.814 -5.665 6.579 524 HA TYR 77 HA TYR 77 104.276 -3.217 5.744 525 HB2 TYR 77 HB2 TYR 77 106.200 -1.898 6.046 526 HB3 TYR 77 HB1 TYR 77 106.348 -3.027 7.376 527 HD1 TYR 77 HD2 TYR 77 107.576 -5.349 6.619 528 HD2 TYR 77 HD1 TYR 77 108.135 -1.493 4.808 529 HE1 TYR 77 HE2 TYR 77 109.780 -6.068 5.755 530 HE2 TYR 77 HE1 TYR 77 110.344 -2.217 3.952 531 HH TYR 77 HH TYR 77 112.008 -4.752 5.073 532 H VAL 78 HN VAL 78 105.303 -2.329 3.604 533 HA VAL 78 HA VAL 78 106.312 -4.543 1.865 534 HB VAL 78 HB VAL 78 103.968 -2.770 1.157 535 HG11 VAL 78 HG11 VAL 78 103.777 -4.581 -0.682 536 HG12 VAL 78 HG12 VAL 78 105.443 -4.978 -0.265 537 HG13 VAL 78 HG13 VAL 78 105.043 -3.366 -0.851 538 HG21 VAL 78 HG21 VAL 78 104.110 -5.546 2.305 539 HG22 VAL 78 HG22 VAL 78 102.791 -5.124 1.218 540 HG23 VAL 78 HG23 VAL 78 103.019 -4.230 2.718 541 H VAL 79 HN VAL 79 107.684 -3.821 0.241 542 HA VAL 79 HA VAL 79 108.268 -0.875 0.187 543 HB VAL 79 HB VAL 79 110.497 -1.510 -0.619 544 HG11 VAL 79 HG11 VAL 79 109.490 -2.890 1.879 545 HG12 VAL 79 HG12 VAL 79 110.357 -1.359 1.758 546 HG13 VAL 79 HG13 VAL 79 111.198 -2.877 1.443 547 HG21 VAL 79 HG21 VAL 79 110.081 -3.489 -1.878 548 HG22 VAL 79 HG22 VAL 79 109.300 -4.288 -0.513 549 HG23 VAL 79 HG23 VAL 79 111.043 -4.023 -0.499 550 H GLN 80 HN GLN 80 108.562 0.117 -1.881 551 HA GLN 80 HA GLN 80 107.126 -1.290 -4.076 552 HB2 GLN 80 HB2 GLN 80 106.585 1.107 -3.276 553 HB3 GLN 80 HB1 GLN 80 108.063 1.578 -4.113 554 HG2 GLN 80 HG2 GLN 80 106.325 1.870 -5.714 555 HG3 GLN 80 HG1 GLN 80 107.113 0.355 -6.158 556 HE21 GLN 80 HE21 GLN 80 104.457 1.412 -3.937 557 HE22 GLN 80 HE22 GLN 80 103.428 0.119 -4.325 558 H GLU 81 HN GLU 81 110.221 0.465 -3.530 559 HA GLU 81 HA GLU 81 111.491 -1.270 -5.485 560 HB2 GLU 81 HB2 GLU 81 112.293 1.143 -6.608 561 HB3 GLU 81 HB1 GLU 81 111.096 0.046 -7.294 562 HG2 GLU 81 HG2 GLU 81 109.295 1.224 -6.328 563 HG3 GLU 81 HG1 GLU 81 110.355 2.118 -5.239 564 HA PRO 82 HA PRO 82 115.233 -0.892 -3.232 565 HB2 PRO 82 HB2 PRO 82 116.429 0.146 -5.767 566 HB3 PRO 82 HB1 PRO 82 117.038 -1.109 -4.666 567 HG2 PRO 82 HG2 PRO 82 115.754 -1.754 -6.993 568 HG3 PRO 82 HG1 PRO 82 115.650 -2.720 -5.532 569 HD2 PRO 82 HD2 PRO 82 113.531 -1.090 -6.751 570 HD3 PRO 82 HD1 PRO 82 113.413 -2.386 -5.550 571 H GLY 83 HN GLY 83 116.699 0.590 -2.365 572 HA2 GLY 83 HA2 GLY 83 117.358 3.152 -2.809 573 HA3 GLY 83 HA1 GLY 83 115.666 3.375 -2.357 574 H ASP 84 HN ASP 84 117.595 4.516 -0.799 575 HA ASP 84 HA ASP 84 118.137 2.777 1.514 576 HB2 ASP 84 HB2 ASP 84 118.791 5.662 0.859 577 HB3 ASP 84 HB1 ASP 84 119.101 4.964 2.447 578 H TYR 85 HN TYR 85 115.913 2.386 2.051 579 HA TYR 85 HA TYR 85 114.068 4.528 2.601 580 HB2 TYR 85 HB2 TYR 85 114.187 1.585 2.847 581 HB3 TYR 85 HB1 TYR 85 113.148 2.353 4.051 582 HD1 TYR 85 HD2 TYR 85 111.186 3.660 3.347 583 HD2 TYR 85 HD1 TYR 85 113.661 1.609 0.503 584 HE1 TYR 85 HE2 TYR 85 109.422 3.911 1.633 585 HE2 TYR 85 HE1 TYR 85 111.900 1.857 -1.217 586 HH TYR 85 HH TYR 85 109.203 2.171 -1.050 587 H GLU 86 HN GLU 86 113.820 5.664 4.461 588 HA GLU 86 HA GLU 86 115.629 4.967 6.758 589 HB2 GLU 86 HB2 GLU 86 114.845 7.637 7.139 590 HB3 GLU 86 HB1 GLU 86 116.389 7.111 6.481 591 HG2 GLU 86 HG2 GLU 86 113.994 7.409 4.679 592 HG3 GLU 86 HG1 GLU 86 114.950 8.814 5.109 593 H VAL 87 HN VAL 87 114.640 4.410 8.616 594 HA VAL 87 HA VAL 87 111.749 5.127 8.987 595 HB VAL 87 HB VAL 87 112.270 2.700 8.428 596 HG11 VAL 87 HG11 VAL 87 113.318 1.313 10.041 597 HG12 VAL 87 HG12 VAL 87 113.274 2.575 11.272 598 HG13 VAL 87 HG13 VAL 87 114.369 2.721 9.897 599 HG21 VAL 87 HG21 VAL 87 111.018 3.241 11.138 600 HG22 VAL 87 HG22 VAL 87 110.695 1.855 10.096 601 HG23 VAL 87 HG23 VAL 87 110.199 3.471 9.593 602 H SER 88 HN SER 88 111.177 5.871 11.004 603 HA SER 88 HA SER 88 113.284 5.946 13.129 604 HB2 SER 88 HB2 SER 88 111.374 8.230 12.631 605 HB3 SER 88 HB1 SER 88 112.847 8.229 13.598 606 HG SER 88 HG SER 88 113.754 8.908 11.831 607 H ILE 89 HN ILE 89 112.369 4.384 14.391 608 HA ILE 89 HA ILE 89 109.518 4.714 15.219 609 HB ILE 89 HB ILE 89 109.509 2.420 15.703 610 HG12 ILE 89 HG12 ILE 89 112.512 2.702 15.853 611 HG13 ILE 89 HG11 ILE 89 111.410 2.136 17.100 612 HG21 ILE 89 HG21 ILE 89 110.193 1.387 13.668 613 HG22 ILE 89 HG22 ILE 89 111.509 2.539 13.443 614 HG23 ILE 89 HG23 ILE 89 109.836 3.062 13.246 615 HD11 ILE 89 HD11 ILE 89 112.403 0.147 16.316 616 HD12 ILE 89 HD12 ILE 89 112.352 0.677 14.635 617 HD13 ILE 89 HD13 ILE 89 110.865 0.203 15.456 618 H LYS 90 HN LYS 90 109.055 5.298 17.269 619 HA LYS 90 HA LYS 90 111.101 5.084 19.413 620 HB2 LYS 90 HB2 LYS 90 110.641 7.400 20.079 621 HB3 LYS 90 HB1 LYS 90 111.283 7.379 18.450 622 HG2 LYS 90 HG2 LYS 90 108.661 7.184 17.837 623 HG3 LYS 90 HG1 LYS 90 108.490 7.965 19.395 624 HD2 LYS 90 HD2 LYS 90 108.675 9.857 18.067 625 HD3 LYS 90 HD1 LYS 90 110.386 9.588 18.392 626 HE2 LYS 90 HE2 LYS 90 108.937 8.451 15.983 627 HE3 LYS 90 HE1 LYS 90 109.835 9.970 15.955 628 HZ1 LYS 90 HZ1 LYS 90 111.692 8.471 16.987 629 HZ2 LYS 90 HZ2 LYS 90 111.448 8.517 15.306 630 HZ3 LYS 90 HZ3 LYS 90 110.830 7.226 16.222 631 H PHE 91 HN PHE 91 110.029 4.249 21.230 632 HA PHE 91 HA PHE 91 107.064 4.181 21.119 633 HB2 PHE 91 HB2 PHE 91 108.283 2.169 21.850 634 HB3 PHE 91 HB1 PHE 91 108.972 3.067 23.192 635 HD1 PHE 91 HD1 PHE 91 105.663 2.262 21.645 636 HD2 PHE 91 HD2 PHE 91 107.842 3.069 25.259 637 HE1 PHE 91 HE1 PHE 91 103.625 1.796 22.976 638 HE2 PHE 91 HE2 PHE 91 105.800 2.603 26.591 639 HZ PHE 91 HZ PHE 91 103.693 1.968 25.447 640 H ASN 92 HN ASN 92 106.240 6.177 21.586 641 HA ASN 92 HA ASN 92 105.575 7.956 22.957 642 HB2 ASN 92 HB2 ASN 92 105.969 6.059 24.795 643 HB3 ASN 92 HB1 ASN 92 107.363 7.054 25.209 644 HD21 ASN 92 HD21 ASN 92 106.840 8.447 26.888 645 HD22 ASN 92 HD22 ASN 92 105.350 9.238 27.076 646 H ASP 93 HN ASP 93 107.867 7.992 21.190 647 HA ASP 93 HA ASP 93 109.391 9.655 20.564 648 HB2 ASP 93 HB2 ASP 93 109.397 10.870 23.307 649 HB3 ASP 93 HB1 ASP 93 109.635 11.622 21.731 650 H GLU 94 HN GLU 94 109.973 7.096 22.371 651 HA GLU 94 HA GLU 94 112.744 7.949 23.160 652 HB2 GLU 94 HB2 GLU 94 112.884 5.900 24.418 653 HB3 GLU 94 HB1 GLU 94 111.390 6.719 24.852 654 HG2 GLU 94 HG2 GLU 94 110.425 5.185 22.872 655 HG3 GLU 94 HG1 GLU 94 111.793 4.182 23.316 656 H HIS 95 HN HIS 95 113.693 8.052 21.157 657 HA HIS 95 HA HIS 95 113.326 6.017 19.135 658 HB2 HIS 95 HB2 HIS 95 115.326 7.210 18.075 659 HB3 HIS 95 HB1 HIS 95 113.894 8.199 18.362 660 HD1 HIS 95 HD1 HIS 95 117.459 7.891 19.248 661 HD2 HIS 95 HD2 HIS 95 114.124 9.891 20.753 662 HE1 HIS 95 HE1 HIS 95 118.338 9.648 20.846 663 H ILE 96 HN ILE 96 114.109 4.020 19.398 664 HA ILE 96 HA ILE 96 116.220 3.304 21.195 665 HB ILE 96 HB ILE 96 116.268 1.286 19.255 666 HG12 ILE 96 HG12 ILE 96 114.470 2.722 18.070 667 HG13 ILE 96 HG11 ILE 96 114.119 1.014 18.302 668 HG21 ILE 96 HG21 ILE 96 114.376 0.260 20.742 669 HG22 ILE 96 HG22 ILE 96 114.592 1.710 21.718 670 HG23 ILE 96 HG23 ILE 96 115.938 0.604 21.474 671 HD11 ILE 96 HD11 ILE 96 112.399 3.012 18.999 672 HD12 ILE 96 HD12 ILE 96 113.235 2.786 20.527 673 HD13 ILE 96 HD13 ILE 96 112.409 1.428 19.764 674 HA PRO 97 HA PRO 97 119.925 4.521 19.143 675 HB2 PRO 97 HB2 PRO 97 121.097 1.829 19.049 676 HB3 PRO 97 HB1 PRO 97 121.588 3.214 20.035 677 HG2 PRO 97 HG2 PRO 97 120.171 0.873 20.923 678 HG3 PRO 97 HG1 PRO 97 120.579 2.303 21.882 679 HD2 PRO 97 HD2 PRO 97 117.965 1.508 20.969 680 HD3 PRO 97 HD1 PRO 97 118.389 2.978 21.868 681 H ASP 98 HN ASP 98 118.093 1.780 18.022 682 HA ASP 98 HA ASP 98 119.231 1.422 15.431 683 HB2 ASP 98 HB2 ASP 98 116.316 1.169 16.207 684 HB3 ASP 98 HB1 ASP 98 117.113 0.396 14.835 685 H SER 99 HN SER 99 116.231 3.186 16.202 686 HA SER 99 HA SER 99 116.202 4.488 13.684 687 HB2 SER 99 HB2 SER 99 114.592 6.099 15.028 688 HB3 SER 99 HB1 SER 99 114.114 4.433 14.712 689 HG SER 99 HG SER 99 115.661 4.690 16.940 690 HA PRO 100 HA PRO 100 115.899 6.227 12.504 691 HB2 PRO 100 HB2 PRO 100 117.357 7.998 10.933 692 HB3 PRO 100 HB1 PRO 100 115.994 8.466 11.960 693 HG2 PRO 100 HG2 PRO 100 118.862 9.040 12.343 694 HG3 PRO 100 HG1 PRO 100 117.465 9.779 13.141 695 HD2 PRO 100 HD2 PRO 100 119.251 7.755 14.211 696 HD3 PRO 100 HD1 PRO 100 117.863 8.515 15.016 697 H PHE 101 HN PHE 101 116.532 4.212 11.441 698 HA PHE 101 HA PHE 101 119.383 4.108 10.442 699 HB2 PHE 101 HB2 PHE 101 119.356 1.693 10.612 700 HB3 PHE 101 HB1 PHE 101 118.998 2.402 12.177 701 HD1 PHE 101 HD1 PHE 101 116.695 2.356 13.051 702 HD2 PHE 101 HD2 PHE 101 117.730 0.356 9.426 703 HE1 PHE 101 HE1 PHE 101 114.656 1.012 13.252 704 HE2 PHE 101 HE2 PHE 101 115.657 -0.999 9.595 705 HZ PHE 101 HZ PHE 101 114.115 -0.671 11.510 706 H VAL 102 HN VAL 102 119.679 2.790 8.466 707 HA VAL 102 HA VAL 102 117.568 3.511 6.532 708 HB VAL 102 HB VAL 102 119.861 4.145 6.003 709 HG11 VAL 102 HG11 VAL 102 120.440 1.168 6.125 710 HG12 VAL 102 HG12 VAL 102 120.999 2.371 7.287 711 HG13 VAL 102 HG13 VAL 102 121.580 2.416 5.623 712 HG21 VAL 102 HG21 VAL 102 119.075 1.813 4.234 713 HG22 VAL 102 HG22 VAL 102 119.978 3.253 3.771 714 HG23 VAL 102 HG23 VAL 102 118.267 3.380 4.182 715 H VAL 103 HN VAL 103 116.725 2.016 5.015 716 HA VAL 103 HA VAL 103 116.968 -0.886 5.739 717 HB VAL 103 HB VAL 103 114.516 0.706 4.955 718 HG11 VAL 103 HG11 VAL 103 114.247 -1.340 3.789 719 HG12 VAL 103 HG12 VAL 103 113.408 -1.615 5.313 720 HG13 VAL 103 HG13 VAL 103 115.027 -2.270 5.068 721 HG21 VAL 103 HG21 VAL 103 115.371 0.663 7.377 722 HG22 VAL 103 HG22 VAL 103 114.963 -1.054 7.370 723 HG23 VAL 103 HG23 VAL 103 113.701 0.153 7.125 724 HA PRO 104 HA PRO 104 118.210 -0.084 1.353 725 HB2 PRO 104 HB2 PRO 104 119.815 -2.503 1.451 726 HB3 PRO 104 HB1 PRO 104 120.366 -0.825 1.346 727 HG2 PRO 104 HG2 PRO 104 120.568 -2.551 3.622 728 HG3 PRO 104 HG1 PRO 104 120.969 -0.829 3.556 729 HD2 PRO 104 HD2 PRO 104 118.652 -2.114 4.804 730 HD3 PRO 104 HD1 PRO 104 119.176 -0.421 4.931 731 H VAL 105 HN VAL 105 116.571 -0.641 0.013 732 HA VAL 105 HA VAL 105 115.521 -3.438 0.017 733 HB VAL 105 HB VAL 105 114.506 -0.822 -1.149 734 HG11 VAL 105 HG11 VAL 105 113.175 -3.538 -1.331 735 HG12 VAL 105 HG12 VAL 105 114.002 -2.775 -2.681 736 HG13 VAL 105 HG13 VAL 105 112.569 -2.025 -1.988 737 HG21 VAL 105 HG21 VAL 105 114.129 -1.045 1.220 738 HG22 VAL 105 HG22 VAL 105 113.518 -2.684 1.011 739 HG23 VAL 105 HG23 VAL 105 112.597 -1.316 0.392 740 H ALA 106 HN ALA 106 115.818 -4.731 -1.881 741 HA ALA 106 HA ALA 106 117.516 -3.532 -4.063 742 HB1 ALA 106 HB1 ALA 106 118.538 -5.142 -2.190 743 HB2 ALA 106 HB2 ALA 106 119.085 -5.196 -3.861 744 HB3 ALA 106 HB3 ALA 106 117.921 -6.386 -3.276 745 H SER 107 HN SER 107 116.853 -3.966 -6.091 746 HA SER 107 HA SER 107 114.534 -5.769 -6.512 747 HB2 SER 107 HB2 SER 107 114.519 -4.722 -8.798 748 HB3 SER 107 HB1 SER 107 114.333 -3.549 -7.500 749 HG SER 107 HG SER 107 116.886 -3.752 -7.809 750 H LEU 108 HN LEU 108 115.601 -7.744 -6.378 751 HA LEU 108 HA LEU 108 116.889 -9.563 -7.129 752 HB2 LEU 108 HB2 LEU 108 116.373 -8.025 -9.684 753 HB3 LEU 108 HB1 LEU 108 117.338 -9.499 -9.684 754 HG LEU 108 HG LEU 108 115.495 -10.772 -8.749 755 HD11 LEU 108 HD11 LEU 108 114.452 -9.249 -7.254 756 HD12 LEU 108 HD12 LEU 108 113.248 -9.531 -8.511 757 HD13 LEU 108 HD13 LEU 108 114.203 -8.048 -8.522 758 HD21 LEU 108 HD21 LEU 108 115.462 -10.525 -11.172 759 HD22 LEU 108 HD22 LEU 108 114.644 -8.968 -11.037 760 HD23 LEU 108 HD23 LEU 108 113.804 -10.448 -10.576 761 H SER 109 HN SER 109 118.004 -6.671 -6.561 762 HA SER 109 HA SER 109 120.725 -6.984 -7.722 763 HB2 SER 109 HB2 SER 109 119.462 -4.782 -7.807 764 HB3 SER 109 HB1 SER 109 119.686 -4.698 -6.063 765 HG SER 109 HG SER 109 121.591 -4.655 -8.137 766 H ASP 110 HN ASP 110 118.949 -7.166 -4.710 767 HA ASP 110 HA ASP 110 119.681 -7.742 -2.543 768 HB2 ASP 110 HB2 ASP 110 122.056 -8.987 -3.951 769 HB3 ASP 110 HB1 ASP 110 121.321 -9.481 -2.426 770 H ASP 111 HN ASP 111 120.907 -5.443 -4.285 771 HA ASP 111 HA ASP 111 122.508 -4.303 -2.172 772 HB2 ASP 111 HB2 ASP 111 124.610 -4.129 -3.572 773 HB3 ASP 111 HB1 ASP 111 124.251 -5.756 -2.993 774 H ALA 112 HN ALA 112 121.335 -4.248 -5.528 775 HA ALA 112 HA ALA 112 120.864 -2.383 -6.918 776 HB1 ALA 112 HB1 ALA 112 119.144 -1.999 -5.249 777 HB2 ALA 112 HB2 ALA 112 119.859 -0.444 -5.673 778 HB3 ALA 112 HB3 ALA 112 120.309 -1.239 -4.165 779 H ARG 113 HN ARG 113 121.334 0.296 -6.772 780 HA ARG 113 HA ARG 113 123.990 0.838 -5.677 781 HB2 ARG 113 HB2 ARG 113 124.020 -0.398 -8.130 782 HB3 ARG 113 HB1 ARG 113 123.956 1.283 -8.633 783 HG2 ARG 113 HG2 ARG 113 125.933 1.787 -7.252 784 HG3 ARG 113 HG1 ARG 113 125.986 0.113 -6.701 785 HD2 ARG 113 HD2 ARG 113 126.168 -0.560 -9.151 786 HD3 ARG 113 HD1 ARG 113 126.430 1.147 -9.509 787 HE ARG 113 HE ARG 113 128.290 0.596 -7.531 788 HH11 ARG 113 HH21 ARG 113 127.402 -0.751 -10.577 789 HH12 ARG 113 HH22 ARG 113 128.999 -1.309 -10.948 790 HH21 ARG 113 HH11 ARG 113 130.383 -0.125 -7.997 791 HH22 ARG 113 HH12 ARG 113 130.687 -0.954 -9.487 792 H ARG 114 HN ARG 114 124.602 3.004 -7.369 793 HA ARG 114 HA ARG 114 122.224 4.791 -7.319 794 HB2 ARG 114 HB2 ARG 114 123.460 4.992 -5.114 795 HB3 ARG 114 HB1 ARG 114 124.876 5.519 -6.023 796 HG2 ARG 114 HG2 ARG 114 123.800 7.500 -6.769 797 HG3 ARG 114 HG1 ARG 114 122.204 6.900 -6.320 798 HD2 ARG 114 HD2 ARG 114 122.953 8.541 -4.672 799 HD3 ARG 114 HD1 ARG 114 122.896 6.942 -3.929 800 HE ARG 114 HE ARG 114 125.506 7.157 -4.830 801 HH11 ARG 114 HH21 ARG 114 123.364 9.034 -2.890 802 HH12 ARG 114 HH22 ARG 114 124.624 9.702 -1.907 803 HH21 ARG 114 HH11 ARG 114 127.166 8.016 -3.558 804 HH22 ARG 114 HH12 ARG 114 126.778 9.124 -2.285 805 H LEU 115 HN LEU 115 124.738 3.479 -8.890 806 HA LEU 115 HA LEU 115 125.057 5.801 -10.759 807 HB2 LEU 115 HB2 LEU 115 127.215 3.773 -10.101 808 HB3 LEU 115 HB1 LEU 115 127.380 5.209 -11.108 809 HG LEU 115 HG LEU 115 126.636 5.309 -8.170 810 HD11 LEU 115 HD11 LEU 115 128.858 4.363 -8.329 811 HD12 LEU 115 HD12 LEU 115 129.018 6.056 -7.862 812 HD13 LEU 115 HD13 LEU 115 129.333 5.567 -9.527 813 HD21 LEU 115 HD21 LEU 115 125.973 7.329 -9.258 814 HD22 LEU 115 HD22 LEU 115 127.430 7.365 -10.249 815 HD23 LEU 115 HD23 LEU 115 127.530 7.696 -8.521 816 H THR 116 HN THR 116 124.687 2.361 -10.259 817 HA THR 116 HA THR 116 124.623 1.864 -13.202 818 HB THR 116 HB THR 116 124.622 -0.082 -10.872 819 HG1 THR 116 HG1 THR 116 126.583 1.232 -11.545 820 HG21 THR 116 HG21 THR 116 124.671 -0.456 -13.873 821 HG22 THR 116 HG22 THR 116 123.491 -1.091 -12.726 822 HG23 THR 116 HG23 THR 116 125.136 -1.726 -12.742 823 H VAL 117 HN VAL 117 122.881 0.303 -10.562 824 HA VAL 117 HA VAL 117 120.385 0.244 -11.986 825 HB VAL 117 HB VAL 117 121.073 0.069 -9.037 826 HG11 VAL 117 HG11 VAL 117 118.710 -0.947 -8.902 827 HG12 VAL 117 HG12 VAL 117 118.423 -0.195 -10.472 828 HG13 VAL 117 HG13 VAL 117 118.808 0.806 -9.071 829 HG21 VAL 117 HG21 VAL 117 120.801 -2.300 -9.323 830 HG22 VAL 117 HG22 VAL 117 121.817 -1.754 -10.657 831 HG23 VAL 117 HG23 VAL 117 120.107 -2.091 -10.930 832 H THR 118 HN THR 118 122.213 2.650 -10.615 833 HA THR 118 HA THR 118 121.800 4.786 -9.769 834 HB THR 118 HB THR 118 121.857 5.137 -12.133 835 HG1 THR 118 HG1 THR 118 120.448 6.941 -12.246 836 HG21 THR 118 HG21 THR 118 118.947 4.293 -12.080 837 HG22 THR 118 HG22 THR 118 120.274 3.530 -12.955 838 HG23 THR 118 HG23 THR 118 119.690 5.116 -13.448 839 H SER 119 HN SER 119 120.520 3.480 -8.033 840 HA SER 119 HA SER 119 118.831 3.739 -6.448 841 HB2 SER 119 HB2 SER 119 117.623 5.715 -6.430 842 HB3 SER 119 HB1 SER 119 118.863 6.164 -7.600 843 HG SER 119 HG SER 119 116.183 5.417 -7.999 844 H1 MET 1 HT1 MET 1 130.666 13.760 -9.896 845 H2 MET 1 HT2 MET 1 129.499 12.551 -9.648 846 H3 MET 1 HT3 MET 1 131.141 12.136 -9.781 847 HA MET 1 HA MET 1 131.205 12.168 -7.578 848 HB2 MET 1 HB2 MET 1 131.557 14.846 -8.591 849 HB3 MET 1 HB1 MET 1 130.743 14.971 -7.035 850 HG2 MET 1 HG2 MET 1 133.266 13.353 -7.502 851 HG3 MET 1 HG1 MET 1 133.247 14.996 -6.864 852 HE1 MET 1 HE1 MET 1 134.116 13.082 -3.690 853 HE2 MET 1 HE2 MET 1 134.620 14.166 -4.984 854 HE3 MET 1 HE3 MET 1 134.540 12.431 -5.279 855 H ALA 2 HN ALA 2 130.008 13.134 -5.479 856 HA ALA 2 HA ALA 2 127.230 12.300 -5.752 857 HB1 ALA 2 HB1 ALA 2 128.653 13.541 -3.376 858 HB2 ALA 2 HB2 ALA 2 128.572 11.812 -3.715 859 HB3 ALA 2 HB3 ALA 2 127.100 12.707 -3.336 860 H SER 3 HN SER 3 125.807 13.696 -6.686 861 HA SER 3 HA SER 3 126.135 16.624 -6.286 862 HB2 SER 3 HB2 SER 3 124.439 16.826 -8.047 863 HB3 SER 3 HB1 SER 3 125.731 15.751 -8.573 864 HG SER 3 HG SER 3 123.648 14.553 -7.206 865 H LYS 4 HN LYS 4 123.074 16.659 -6.865 866 HA LYS 4 HA LYS 4 121.791 15.620 -4.504 867 HB2 LYS 4 HB2 LYS 4 123.241 17.515 -3.573 868 HB3 LYS 4 HB1 LYS 4 122.216 18.615 -4.489 869 HG2 LYS 4 HG2 LYS 4 121.111 18.608 -2.434 870 HG3 LYS 4 HG1 LYS 4 120.244 17.328 -3.277 871 HD2 LYS 4 HD2 LYS 4 121.627 15.627 -2.188 872 HD3 LYS 4 HD1 LYS 4 122.601 16.880 -1.416 873 HE2 LYS 4 HE2 LYS 4 121.006 16.137 0.219 874 HE3 LYS 4 HE1 LYS 4 120.469 17.723 -0.333 875 HZ1 LYS 4 HZ1 LYS 4 119.210 15.160 -0.630 876 HZ2 LYS 4 HZ2 LYS 4 119.299 16.026 -2.088 877 HZ3 LYS 4 HZ3 LYS 4 118.539 16.713 -0.733 878 HA PRO 5 HA PRO 5 119.281 17.085 -8.176 879 HB2 PRO 5 HB2 PRO 5 117.856 14.550 -8.036 880 HB3 PRO 5 HB1 PRO 5 118.886 15.155 -9.340 881 HG2 PRO 5 HG2 PRO 5 119.512 13.052 -7.490 882 HG3 PRO 5 HG1 PRO 5 120.583 13.748 -8.714 883 HD2 PRO 5 HD2 PRO 5 120.679 14.112 -5.822 884 HD3 PRO 5 HD1 PRO 5 121.835 14.692 -7.039 885 H GLU 6 HN GLU 6 117.512 14.752 -6.137 886 HA GLU 6 HA GLU 6 116.165 16.937 -4.680 887 HB2 GLU 6 HB2 GLU 6 114.688 15.092 -6.583 888 HB3 GLU 6 HB1 GLU 6 113.902 16.123 -5.387 889 HG2 GLU 6 HG2 GLU 6 115.145 18.081 -6.462 890 HG3 GLU 6 HG1 GLU 6 115.545 16.978 -7.778 891 H LYS 7 HN LYS 7 114.507 15.934 -3.120 892 HA LYS 7 HA LYS 7 115.793 13.689 -1.772 893 HB2 LYS 7 HB2 LYS 7 113.242 15.224 -1.190 894 HB3 LYS 7 HB1 LYS 7 113.894 13.962 -0.143 895 HG2 LYS 7 HG2 LYS 7 116.070 15.313 -0.114 896 HG3 LYS 7 HG1 LYS 7 115.143 16.627 -0.839 897 HD2 LYS 7 HD2 LYS 7 113.495 16.354 1.091 898 HD3 LYS 7 HD1 LYS 7 114.702 15.314 1.851 899 HE2 LYS 7 HE2 LYS 7 116.360 17.223 1.537 900 HE3 LYS 7 HE1 LYS 7 114.980 18.235 1.113 901 HZ1 LYS 7 HZ1 LYS 7 115.180 16.684 3.634 902 HZ2 LYS 7 HZ2 LYS 7 114.006 17.844 3.232 903 HZ3 LYS 7 HZ3 LYS 7 115.617 18.317 3.495 904 H ARG 8 HN ARG 8 114.058 11.965 -0.885 905 HA ARG 8 HA ARG 8 112.852 10.749 -3.330 906 HB2 ARG 8 HB2 ARG 8 112.954 9.260 -0.727 907 HB3 ARG 8 HB1 ARG 8 113.267 8.686 -2.367 908 HG2 ARG 8 HG2 ARG 8 115.366 10.293 -2.198 909 HG3 ARG 8 HG1 ARG 8 115.112 10.114 -0.466 910 HD2 ARG 8 HD2 ARG 8 115.306 7.687 -0.660 911 HD3 ARG 8 HD1 ARG 8 115.439 7.817 -2.414 912 HE ARG 8 HE ARG 8 117.479 9.445 -1.441 913 HH11 ARG 8 HH21 ARG 8 116.472 6.173 -1.101 914 HH12 ARG 8 HH22 ARG 8 118.073 5.577 -0.821 915 HH21 ARG 8 HH11 ARG 8 119.570 8.685 -1.081 916 HH22 ARG 8 HH12 ARG 8 119.826 6.994 -0.810 917 H VAL 9 HN VAL 9 110.730 9.514 -2.830 918 HA VAL 9 HA VAL 9 108.723 11.341 -2.048 919 HB VAL 9 HB VAL 9 108.814 8.332 -2.222 920 HG11 VAL 9 HG11 VAL 9 107.156 8.666 -0.528 921 HG12 VAL 9 HG12 VAL 9 106.259 8.487 -2.036 922 HG13 VAL 9 HG13 VAL 9 106.511 10.090 -1.344 923 HG21 VAL 9 HG21 VAL 9 107.535 8.656 -4.216 924 HG22 VAL 9 HG22 VAL 9 108.822 9.861 -4.261 925 HG23 VAL 9 HG23 VAL 9 107.187 10.334 -3.799 926 H ALA 10 HN ALA 10 107.369 11.266 -0.062 927 HA ALA 10 HA ALA 10 108.928 10.385 2.357 928 HB1 ALA 10 HB1 ALA 10 107.965 12.358 3.508 929 HB2 ALA 10 HB2 ALA 10 107.205 12.854 1.996 930 HB3 ALA 10 HB3 ALA 10 108.963 12.826 2.131 931 H SER 11 HN SER 11 107.704 9.611 4.112 932 HA SER 11 HA SER 11 104.769 9.296 3.744 933 HB2 SER 11 HB2 SER 11 105.424 7.233 2.815 934 HB3 SER 11 HB1 SER 11 106.790 7.064 3.910 935 HG SER 11 HG SER 11 105.005 7.059 5.584 936 H SER 12 HN SER 12 103.692 9.326 5.710 937 HA SER 12 HA SER 12 105.292 9.059 8.217 938 HB2 SER 12 HB2 SER 12 103.388 11.358 7.689 939 HB3 SER 12 HB1 SER 12 104.384 11.113 9.122 940 HG SER 12 HG SER 12 105.738 11.077 6.717 941 H VAL 13 HN VAL 13 104.256 7.511 9.347 942 HA VAL 13 HA VAL 13 101.401 7.743 9.895 943 HB VAL 13 HB VAL 13 101.232 6.590 7.791 944 HG11 VAL 13 HG11 VAL 13 103.393 4.802 8.922 945 HG12 VAL 13 HG12 VAL 13 103.482 5.813 7.481 946 HG13 VAL 13 HG13 VAL 13 102.449 4.384 7.493 947 HG21 VAL 13 HG21 VAL 13 99.940 5.718 9.843 948 HG22 VAL 13 HG22 VAL 13 101.096 4.386 9.853 949 HG23 VAL 13 HG23 VAL 13 100.052 4.639 8.454 950 H PHE 14 HN PHE 14 100.725 5.957 11.443 951 HA PHE 14 HA PHE 14 102.672 4.267 12.674 952 HB2 PHE 14 HB2 PHE 14 103.139 5.435 14.683 953 HB3 PHE 14 HB1 PHE 14 103.607 6.472 13.369 954 HD1 PHE 14 HD2 PHE 14 101.628 8.084 12.500 955 HD2 PHE 14 HD1 PHE 14 101.917 6.384 16.434 956 HE1 PHE 14 HE2 PHE 14 100.170 9.872 13.380 957 HE2 PHE 14 HE1 PHE 14 100.462 8.181 17.315 958 HZ PHE 14 HZ PHE 14 99.581 9.926 15.789 959 H ILE 15 HN ILE 15 101.902 4.224 15.288 960 HA ILE 15 HA ILE 15 98.957 4.094 15.436 961 HB ILE 15 HB ILE 15 99.351 1.677 16.415 962 HG12 ILE 15 HG12 ILE 15 101.616 1.804 14.419 963 HG13 ILE 15 HG11 ILE 15 101.877 1.986 16.154 964 HG21 ILE 15 HG21 ILE 15 98.020 2.216 14.383 965 HG22 ILE 15 HG22 ILE 15 98.916 0.707 14.209 966 HG23 ILE 15 HG23 ILE 15 99.503 2.176 13.429 967 HD11 ILE 15 HD11 ILE 15 102.184 -0.369 15.369 968 HD12 ILE 15 HD12 ILE 15 100.492 -0.387 14.873 969 HD13 ILE 15 HD13 ILE 15 100.909 -0.208 16.578 970 H THR 16 HN THR 16 98.366 3.419 17.787 971 HA THR 16 HA THR 16 100.507 4.212 19.730 972 HB THR 16 HB THR 16 98.915 5.642 20.914 973 HG1 THR 16 HG1 THR 16 97.112 4.282 19.921 974 HG21 THR 16 HG21 THR 16 98.816 7.456 19.339 975 HG22 THR 16 HG22 THR 16 98.851 6.342 17.971 976 HG23 THR 16 HG23 THR 16 100.281 6.540 18.984 977 H LEU 17 HN LEU 17 100.621 2.806 21.396 978 HA LEU 17 HA LEU 17 98.512 0.743 21.674 979 HB2 LEU 17 HB2 LEU 17 101.051 0.956 23.305 980 HB3 LEU 17 HB1 LEU 17 100.094 -0.484 22.954 981 HG LEU 17 HG LEU 17 101.730 1.121 20.968 982 HD11 LEU 17 HD11 LEU 17 102.012 -1.768 21.834 983 HD12 LEU 17 HD12 LEU 17 102.930 -0.449 22.560 984 HD13 LEU 17 HD13 LEU 17 103.134 -0.829 20.850 985 HD21 LEU 17 HD21 LEU 17 99.788 -1.175 20.634 986 HD22 LEU 17 HD22 LEU 17 101.057 -0.854 19.452 987 HD23 LEU 17 HD23 LEU 17 99.820 0.362 19.769 988 H ALA 18 HN ALA 18 97.120 0.660 23.409 989 HA ALA 18 HA ALA 18 97.602 2.443 25.748 990 HB1 ALA 18 HB1 ALA 18 95.143 2.480 23.981 991 HB2 ALA 18 HB2 ALA 18 96.232 3.824 24.328 992 HB3 ALA 18 HB3 ALA 18 95.189 3.182 25.598 993 HA PRO 19 HA PRO 19 95.975 -1.867 26.614 994 HB2 PRO 19 HB2 PRO 19 97.909 -1.995 28.788 995 HB3 PRO 19 HB1 PRO 19 97.834 -2.999 27.333 996 HG2 PRO 19 HG2 PRO 19 99.750 -0.936 27.907 997 HG3 PRO 19 HG1 PRO 19 99.598 -1.866 26.409 998 HD2 PRO 19 HD2 PRO 19 98.891 0.921 26.873 999 HD3 PRO 19 HD1 PRO 19 98.850 0.021 25.343 1000 HA PRO 20 HA PRO 20 93.403 -0.603 29.948 1001 HB2 PRO 20 HB2 PRO 20 93.936 -2.766 31.807 1002 HB3 PRO 20 HB1 PRO 20 92.543 -2.573 30.734 1003 HG2 PRO 20 HG2 PRO 20 94.781 -4.409 30.440 1004 HG3 PRO 20 HG1 PRO 20 93.340 -4.275 29.421 1005 HD2 PRO 20 HD2 PRO 20 96.008 -3.475 28.737 1006 HD3 PRO 20 HD1 PRO 20 94.533 -3.203 27.787 1007 H ARG 21 HN ARG 21 94.106 1.159 31.086 1008 HA ARG 21 HA ARG 21 96.632 1.561 32.230 1009 HB2 ARG 21 HB2 ARG 21 94.064 2.667 33.398 1010 HB3 ARG 21 HB1 ARG 21 95.668 3.401 33.440 1011 HG2 ARG 21 HG2 ARG 21 95.617 3.537 30.940 1012 HG3 ARG 21 HG1 ARG 21 93.957 2.942 30.979 1013 HD2 ARG 21 HD2 ARG 21 93.256 4.869 32.304 1014 HD3 ARG 21 HD1 ARG 21 94.920 5.449 32.387 1015 HE ARG 21 HE ARG 21 94.421 5.256 29.668 1016 HH11 ARG 21 HH21 ARG 21 92.908 6.735 32.389 1017 HH12 ARG 21 HH22 ARG 21 92.253 8.053 31.476 1018 HH21 ARG 21 HH11 ARG 21 93.574 6.968 28.460 1019 HH22 ARG 21 HH12 ARG 21 92.630 8.185 29.253 1020 H ARG 22 HN ARG 22 94.235 -0.611 33.241 1021 HA ARG 22 HA ARG 22 93.986 -1.920 35.168 1022 HB2 ARG 22 HB2 ARG 22 96.399 -2.392 34.360 1023 HB3 ARG 22 HB1 ARG 22 96.910 -1.353 35.689 1024 HG2 ARG 22 HG2 ARG 22 95.772 -2.795 37.304 1025 HG3 ARG 22 HG1 ARG 22 95.124 -3.788 35.999 1026 HD2 ARG 22 HD2 ARG 22 97.089 -4.876 36.973 1027 HD3 ARG 22 HD1 ARG 22 97.441 -4.372 35.320 1028 HE ARG 22 HE ARG 22 98.293 -2.232 36.860 1029 HH11 ARG 22 HH21 ARG 22 98.818 -5.640 36.796 1030 HH12 ARG 22 HH22 ARG 22 100.431 -5.538 37.418 1031 HH21 ARG 22 HH11 ARG 22 100.398 -2.079 37.673 1032 HH22 ARG 22 HH12 ARG 22 101.326 -3.522 37.914 1033 H ASP 23 HN ASP 23 96.251 -1.055 37.332 1034 HA ASP 23 HA ASP 23 94.351 0.675 38.805 1035 HB2 ASP 23 HB2 ASP 23 96.904 -0.757 39.572 1036 HB3 ASP 23 HB1 ASP 23 96.075 0.357 40.660 1037 H VAL 24 HN VAL 24 95.568 2.456 40.171 1038 HA VAL 24 HA VAL 24 97.896 3.697 39.008 1039 HB VAL 24 HB VAL 24 96.311 4.216 37.197 1040 HG11 VAL 24 HG11 VAL 24 94.293 4.106 38.759 1041 HG12 VAL 24 HG12 VAL 24 94.280 5.418 37.581 1042 HG13 VAL 24 HG13 VAL 24 94.710 5.745 39.260 1043 HG21 VAL 24 HG21 VAL 24 96.703 6.585 37.116 1044 HG22 VAL 24 HG22 VAL 24 98.060 5.886 38.000 1045 HG23 VAL 24 HG23 VAL 24 96.762 6.697 38.875 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 119.937 12.688 45.521 2 H2 GLY 1 HT2 GLY 1 118.573 12.931 44.538 3 H3 GLY 1 HT3 GLY 1 120.080 13.562 44.073 4 HA2 GLY 1 HA2 GLY 1 118.928 10.834 43.785 5 HA3 GLY 1 HA1 GLY 1 120.244 11.654 42.898 6 H ILE 2 HN ILE 2 120.452 9.002 43.764 7 HA ILE 2 HA ILE 2 123.269 9.162 43.347 8 HB ILE 2 HB ILE 2 123.074 10.018 45.736 9 HG12 ILE 2 HG12 ILE 2 124.759 8.148 46.601 10 HG13 ILE 2 HG11 ILE 2 124.658 7.577 44.939 11 HG21 ILE 2 HG21 ILE 2 122.130 8.774 47.427 12 HG22 ILE 2 HG22 ILE 2 122.591 7.234 46.713 13 HG23 ILE 2 HG23 ILE 2 121.186 8.104 46.099 14 HD11 ILE 2 HD11 ILE 2 126.540 9.173 45.295 15 HD12 ILE 2 HD12 ILE 2 125.373 10.414 45.746 16 HD13 ILE 2 HD13 ILE 2 125.379 9.762 44.108 17 HA PRO 3 HA PRO 3 120.632 5.173 42.978 18 HB2 PRO 3 HB2 PRO 3 121.177 5.096 40.172 19 HB3 PRO 3 HB1 PRO 3 119.626 5.464 40.938 20 HG2 PRO 3 HG2 PRO 3 121.543 7.320 39.664 21 HG3 PRO 3 HG1 PRO 3 119.834 7.575 40.051 22 HD2 PRO 3 HD2 PRO 3 121.984 8.731 41.440 23 HD3 PRO 3 HD1 PRO 3 120.323 8.569 42.049 24 H GLU 4 HN GLU 4 123.027 5.527 40.430 25 HA GLU 4 HA GLU 4 125.146 4.454 40.184 26 HB2 GLU 4 HB2 GLU 4 125.244 5.079 42.826 27 HB3 GLU 4 HB1 GLU 4 125.088 3.331 42.982 28 HG2 GLU 4 HG2 GLU 4 127.045 3.004 41.538 29 HG3 GLU 4 HG1 GLU 4 127.192 4.748 41.318 30 H PHE 5 HN PHE 5 122.306 3.297 41.455 31 HA PHE 5 HA PHE 5 122.650 0.445 40.886 32 HB2 PHE 5 HB2 PHE 5 121.353 0.864 42.844 33 HB3 PHE 5 HB1 PHE 5 120.588 2.304 42.144 34 HD1 PHE 5 HD2 PHE 5 120.817 -1.432 41.746 35 HD2 PHE 5 HD1 PHE 5 118.450 2.106 41.171 36 HE1 PHE 5 HE2 PHE 5 118.899 -2.831 41.031 37 HE2 PHE 5 HE1 PHE 5 116.532 0.707 40.455 38 HZ PHE 5 HZ PHE 5 116.757 -1.762 40.385 39 H PHE 6 HN PHE 6 122.766 2.915 39.128 40 HA PHE 6 HA PHE 6 121.995 3.754 37.134 41 HB2 PHE 6 HB2 PHE 6 121.505 2.033 35.389 42 HB3 PHE 6 HB1 PHE 6 123.019 1.753 36.246 43 HD1 PHE 6 HD2 PHE 6 123.231 -0.065 37.892 44 HD2 PHE 6 HD1 PHE 6 119.599 0.529 35.675 45 HE1 PHE 6 HE2 PHE 6 122.459 -2.328 38.547 46 HE2 PHE 6 HE1 PHE 6 118.829 -1.733 36.331 47 HZ PHE 6 HZ PHE 6 120.258 -3.162 37.767 48 H GLN 7 HN GLN 7 119.902 2.595 35.477 49 HA GLN 7 HA GLN 7 117.537 2.495 35.327 50 HB2 GLN 7 HB2 GLN 7 117.721 1.819 37.934 51 HB3 GLN 7 HB1 GLN 7 117.149 3.470 38.155 52 HG2 GLN 7 HG2 GLN 7 115.786 1.390 36.414 53 HG3 GLN 7 HG1 GLN 7 115.280 1.829 38.045 54 HE21 GLN 7 HE21 GLN 7 115.027 4.395 38.283 55 HE22 GLN 7 HE22 GLN 7 114.204 5.152 37.005 56 H PHE 8 HN PHE 8 119.700 4.765 36.283 57 HA PHE 8 HA PHE 8 118.226 6.913 34.979 58 HB2 PHE 8 HB2 PHE 8 117.530 7.131 37.374 59 HB3 PHE 8 HB1 PHE 8 119.232 7.284 37.811 60 HD1 PHE 8 HD2 PHE 8 120.552 9.250 37.084 61 HD2 PHE 8 HD1 PHE 8 116.340 8.939 36.300 62 HE1 PHE 8 HE2 PHE 8 120.469 11.674 36.570 63 HE2 PHE 8 HE1 PHE 8 116.257 11.364 35.786 64 HZ PHE 8 HZ PHE 8 118.321 12.731 35.921 65 H THR 9 HN THR 9 121.062 5.768 36.637 66 HA THR 9 HA THR 9 122.801 7.680 35.170 67 HB THR 9 HB THR 9 123.621 5.443 37.052 68 HG1 THR 9 HG1 THR 9 122.287 7.693 37.585 69 HG21 THR 9 HG21 THR 9 125.580 7.038 37.386 70 HG22 THR 9 HG22 THR 9 124.965 7.941 36.002 71 HG23 THR 9 HG23 THR 9 125.485 6.268 35.803 72 H VAL 10 HN VAL 10 121.153 4.975 34.584 73 HA VAL 10 HA VAL 10 122.737 2.967 33.584 74 HB VAL 10 HB VAL 10 120.282 2.933 33.474 75 HG11 VAL 10 HG11 VAL 10 120.083 5.335 32.750 76 HG12 VAL 10 HG12 VAL 10 119.061 4.220 31.845 77 HG13 VAL 10 HG13 VAL 10 120.551 4.826 31.130 78 HG21 VAL 10 HG21 VAL 10 120.053 1.856 31.299 79 HG22 VAL 10 HG22 VAL 10 121.624 1.443 31.983 80 HG23 VAL 10 HG23 VAL 10 121.508 2.658 30.713 81 H GLY 11 HN GLY 11 122.100 6.091 32.080 82 HA2 GLY 11 HA2 GLY 11 124.313 6.853 30.877 83 HA3 GLY 11 HA1 GLY 11 123.972 5.475 29.836 84 HA PRO 12 HA PRO 12 121.231 8.096 27.486 85 HB2 PRO 12 HB2 PRO 12 119.242 6.224 26.819 86 HB3 PRO 12 HB1 PRO 12 120.769 6.430 25.949 87 HG2 PRO 12 HG2 PRO 12 119.990 4.311 27.895 88 HG3 PRO 12 HG1 PRO 12 121.152 4.233 26.563 89 HD2 PRO 12 HD2 PRO 12 121.851 4.438 29.255 90 HD3 PRO 12 HD1 PRO 12 122.904 4.895 27.901 91 H LEU 13 HN LEU 13 120.953 8.047 30.325 92 HA LEU 13 HA LEU 13 119.416 8.172 32.116 93 HB2 LEU 13 HB2 LEU 13 117.826 10.174 31.625 94 HB3 LEU 13 HB1 LEU 13 119.559 10.457 31.674 95 HG LEU 13 HG LEU 13 118.299 9.783 29.027 96 HD11 LEU 13 HD11 LEU 13 117.921 12.249 28.677 97 HD12 LEU 13 HD12 LEU 13 118.135 12.460 30.415 98 HD13 LEU 13 HD13 LEU 13 116.797 11.488 29.803 99 HD21 LEU 13 HD21 LEU 13 120.047 11.408 28.245 100 HD22 LEU 13 HD22 LEU 13 120.732 10.030 29.099 101 HD23 LEU 13 HD23 LEU 13 120.577 11.583 29.916 102 H GLY 14 HN GLY 14 118.663 6.039 30.416 103 HA2 GLY 14 HA2 GLY 14 116.837 4.583 30.209 104 HA3 GLY 14 HA1 GLY 14 115.934 5.677 31.256 105 H GLU 15 HN GLU 15 116.215 8.019 29.628 106 HA GLU 15 HA GLU 15 115.026 9.090 27.919 107 HB2 GLU 15 HB2 GLU 15 116.731 7.632 26.644 108 HB3 GLU 15 HB1 GLU 15 115.382 6.543 26.344 109 HG2 GLU 15 HG2 GLU 15 114.140 8.301 25.214 110 HG3 GLU 15 HG1 GLU 15 115.369 9.491 25.641 111 H GLY 16 HN GLY 16 113.849 6.614 29.633 112 HA2 GLY 16 HA2 GLY 16 111.707 5.779 30.000 113 HA3 GLY 16 HA1 GLY 16 111.123 7.185 29.117 114 H GLY 17 HN GLY 17 110.692 4.048 29.124 115 HA2 GLY 17 HA2 GLY 17 109.798 2.586 27.527 116 HA3 GLY 17 HA1 GLY 17 109.836 3.910 26.372 117 H ALA 18 HN ALA 18 112.397 4.513 26.070 118 HA ALA 18 HA ALA 18 113.463 2.654 24.303 119 HB1 ALA 18 HB1 ALA 18 115.426 3.924 24.295 120 HB2 ALA 18 HB2 ALA 18 115.357 4.232 26.030 121 HB3 ALA 18 HB3 ALA 18 114.263 5.078 24.941 122 H HIS 19 HN HIS 19 113.233 2.295 27.673 123 HA HIS 19 HA HIS 19 115.519 0.443 27.858 124 HB2 HIS 19 HB2 HIS 19 115.144 1.856 29.773 125 HB3 HIS 19 HB1 HIS 19 113.447 1.388 29.854 126 HD1 HIS 19 HD1 HIS 19 113.230 -0.007 31.919 127 HD2 HIS 19 HD2 HIS 19 116.631 -1.020 29.730 128 HE1 HIS 19 HE1 HIS 19 114.258 -2.010 33.078 129 H LYS 20 HN LYS 20 111.949 0.275 28.020 130 HA LYS 20 HA LYS 20 112.102 -2.686 28.154 131 HB2 LYS 20 HB2 LYS 20 109.642 -2.550 28.412 132 HB3 LYS 20 HB1 LYS 20 110.494 -1.583 29.612 133 HG2 LYS 20 HG2 LYS 20 109.061 0.088 28.962 134 HG3 LYS 20 HG1 LYS 20 110.166 0.281 27.605 135 HD2 LYS 20 HD2 LYS 20 108.772 -1.258 26.254 136 HD3 LYS 20 HD1 LYS 20 107.683 -1.472 27.619 137 HE2 LYS 20 HE2 LYS 20 107.831 1.318 27.321 138 HE3 LYS 20 HE1 LYS 20 107.767 0.708 25.669 139 HZ1 LYS 20 HZ1 LYS 20 105.878 0.069 27.865 140 HZ2 LYS 20 HZ2 LYS 20 105.849 -0.655 26.328 141 HZ3 LYS 20 HZ3 LYS 20 105.558 1.011 26.492 142 H VAL 21 HN VAL 21 111.941 -0.309 25.731 143 HA VAL 21 HA VAL 21 110.263 -1.885 23.903 144 HB VAL 21 HB VAL 21 111.930 0.612 23.475 145 HG11 VAL 21 HG11 VAL 21 110.115 -0.950 21.621 146 HG12 VAL 21 HG12 VAL 21 111.798 -0.499 21.352 147 HG13 VAL 21 HG13 VAL 21 110.540 0.738 21.338 148 HG21 VAL 21 HG21 VAL 21 109.966 0.941 24.905 149 HG22 VAL 21 HG22 VAL 21 108.946 0.115 23.729 150 HG23 VAL 21 HG23 VAL 21 109.675 1.669 23.326 151 H ARG 22 HN ARG 22 111.065 -3.683 23.057 152 HA ARG 22 HA ARG 22 113.967 -3.854 22.360 153 HB2 ARG 22 HB2 ARG 22 113.148 -5.650 23.803 154 HB3 ARG 22 HB1 ARG 22 111.818 -5.970 22.693 155 HG2 ARG 22 HG2 ARG 22 113.683 -7.596 22.419 156 HG3 ARG 22 HG1 ARG 22 113.403 -6.667 20.950 157 HD2 ARG 22 HD2 ARG 22 115.342 -5.377 21.247 158 HD3 ARG 22 HD1 ARG 22 115.420 -5.710 22.977 159 HE ARG 22 HE ARG 22 115.764 -8.197 21.796 160 HH11 ARG 22 HH21 ARG 22 117.200 -5.072 21.541 161 HH12 ARG 22 HH22 ARG 22 118.768 -5.681 21.126 162 HH21 ARG 22 HH11 ARG 22 117.803 -9.008 21.255 163 HH22 ARG 22 HH12 ARG 22 119.109 -7.908 20.966 164 H ALA 23 HN ALA 23 114.552 -4.142 20.201 165 HA ALA 23 HA ALA 23 112.369 -4.522 18.196 166 HB1 ALA 23 HB1 ALA 23 113.484 -2.718 16.804 167 HB2 ALA 23 HB2 ALA 23 114.405 -2.278 18.242 168 HB3 ALA 23 HB3 ALA 23 112.648 -2.132 18.242 169 H GLY 24 HN GLY 24 112.978 -6.319 17.153 170 HA2 GLY 24 HA2 GLY 24 115.629 -6.445 15.884 171 HA3 GLY 24 HA1 GLY 24 115.318 -7.709 17.077 172 H GLY 25 HN GLY 25 115.374 -7.393 13.893 173 HA2 GLY 25 HA2 GLY 25 113.709 -9.654 13.369 174 HA3 GLY 25 HA1 GLY 25 112.827 -8.192 12.927 175 H THR 26 HN THR 26 113.469 -9.995 10.941 176 HA THR 26 HA THR 26 115.981 -9.337 9.639 177 HB THR 26 HB THR 26 113.518 -10.536 8.349 178 HG1 THR 26 HG1 THR 26 114.721 -12.529 8.951 179 HG21 THR 26 HG21 THR 26 115.081 -11.510 6.811 180 HG22 THR 26 HG22 THR 26 116.455 -11.009 7.796 181 HG23 THR 26 HG23 THR 26 115.496 -9.801 6.940 182 H GLY 27 HN GLY 27 112.723 -8.052 9.582 183 HA2 GLY 27 HA2 GLY 27 113.011 -6.554 7.125 184 HA3 GLY 27 HA1 GLY 27 111.793 -6.267 8.369 185 H LEU 28 HN LEU 28 114.045 -6.097 10.398 186 HA LEU 28 HA LEU 28 114.421 -3.216 10.186 187 HB2 LEU 28 HB2 LEU 28 115.306 -5.337 12.145 188 HB3 LEU 28 HB1 LEU 28 115.888 -3.682 12.277 189 HG LEU 28 HG LEU 28 112.929 -4.246 12.052 190 HD11 LEU 28 HD11 LEU 28 113.696 -5.618 13.919 191 HD12 LEU 28 HD12 LEU 28 112.834 -4.212 14.541 192 HD13 LEU 28 HD13 LEU 28 114.596 -4.257 14.585 193 HD21 LEU 28 HD21 LEU 28 114.622 -1.997 13.188 194 HD22 LEU 28 HD22 LEU 28 112.891 -2.130 13.477 195 HD23 LEU 28 HD23 LEU 28 113.492 -1.918 11.837 196 H GLU 29 HN GLU 29 116.023 -5.911 8.940 197 HA GLU 29 HA GLU 29 118.705 -4.660 8.944 198 HB2 GLU 29 HB2 GLU 29 117.774 -7.217 7.604 199 HB3 GLU 29 HB1 GLU 29 119.443 -6.718 7.885 200 HG2 GLU 29 HG2 GLU 29 118.865 -6.657 10.373 201 HG3 GLU 29 HG1 GLU 29 117.370 -7.487 9.947 202 H ARG 30 HN ARG 30 116.322 -5.776 6.489 203 HA ARG 30 HA ARG 30 116.788 -3.433 4.857 204 HB2 ARG 30 HB2 ARG 30 117.720 -4.892 2.887 205 HB3 ARG 30 HB1 ARG 30 118.830 -4.320 4.129 206 HG2 ARG 30 HG2 ARG 30 119.206 -6.703 3.654 207 HG3 ARG 30 HG1 ARG 30 118.650 -6.481 5.303 208 HD2 ARG 30 HD2 ARG 30 116.497 -7.289 4.821 209 HD3 ARG 30 HD1 ARG 30 116.668 -7.032 3.088 210 HE ARG 30 HE ARG 30 117.337 -9.415 4.583 211 HH11 ARG 30 HH21 ARG 30 118.515 -7.430 2.010 212 HH12 ARG 30 HH22 ARG 30 119.560 -8.660 1.382 213 HH21 ARG 30 HH11 ARG 30 118.680 -11.009 3.769 214 HH22 ARG 30 HH12 ARG 30 119.653 -10.680 2.374 215 H GLY 31 HN GLY 31 116.019 -4.324 2.373 216 HA2 GLY 31 HA2 GLY 31 113.702 -6.123 2.653 217 HA3 GLY 31 HA1 GLY 31 113.314 -4.438 2.296 218 H VAL 32 HN VAL 32 112.508 -6.008 0.322 219 HA VAL 32 HA VAL 32 114.591 -5.653 -1.791 220 HB VAL 32 HB VAL 32 112.933 -8.102 -1.221 221 HG11 VAL 32 HG11 VAL 32 113.928 -9.005 -3.368 222 HG12 VAL 32 HG12 VAL 32 114.405 -7.357 -3.761 223 HG13 VAL 32 HG13 VAL 32 112.703 -7.764 -3.604 224 HG21 VAL 32 HG21 VAL 32 115.893 -7.579 -1.547 225 HG22 VAL 32 HG22 VAL 32 115.189 -9.188 -1.403 226 HG23 VAL 32 HG23 VAL 32 115.051 -8.042 -0.070 227 H ALA 33 HN ALA 33 113.812 -5.234 -3.873 228 HA ALA 33 HA ALA 33 111.800 -3.438 -4.264 229 HB1 ALA 33 HB1 ALA 33 111.649 -5.041 -6.604 230 HB2 ALA 33 HB2 ALA 33 113.271 -5.270 -5.969 231 HB3 ALA 33 HB3 ALA 33 112.700 -3.651 -6.343 232 H GLY 34 HN GLY 34 109.735 -3.499 -3.602 233 HA2 GLY 34 HA2 GLY 34 107.535 -4.200 -3.284 234 HA3 GLY 34 HA1 GLY 34 107.746 -5.019 -4.825 235 H VAL 35 HN VAL 35 109.118 -5.590 -1.569 236 HA VAL 35 HA VAL 35 107.993 -8.353 -1.709 237 HB VAL 35 HB VAL 35 110.743 -7.446 -0.898 238 HG11 VAL 35 HG11 VAL 35 111.038 -9.911 -0.227 239 HG12 VAL 35 HG12 VAL 35 109.277 -9.993 -0.178 240 HG13 VAL 35 HG13 VAL 35 110.138 -8.895 0.900 241 HG21 VAL 35 HG21 VAL 35 111.375 -9.298 -2.463 242 HG22 VAL 35 HG22 VAL 35 110.424 -8.038 -3.251 243 HG23 VAL 35 HG23 VAL 35 109.665 -9.560 -2.793 244 HA PRO 36 HA PRO 36 106.329 -6.417 2.098 245 HB2 PRO 36 HB2 PRO 36 104.752 -8.854 2.487 246 HB3 PRO 36 HB1 PRO 36 104.180 -7.215 2.139 247 HG2 PRO 36 HG2 PRO 36 104.174 -9.414 0.331 248 HG3 PRO 36 HG1 PRO 36 103.844 -7.723 -0.072 249 HD2 PRO 36 HD2 PRO 36 106.219 -9.315 -0.702 250 HD3 PRO 36 HD1 PRO 36 105.787 -7.696 -1.296 251 H ALA 37 HN ALA 37 107.282 -6.636 4.093 252 HA ALA 37 HA ALA 37 108.255 -9.324 4.954 253 HB1 ALA 37 HB1 ALA 37 110.419 -8.179 5.682 254 HB2 ALA 37 HB2 ALA 37 109.943 -6.827 4.655 255 HB3 ALA 37 HB3 ALA 37 110.230 -8.415 3.944 256 H GLU 38 HN GLU 38 109.477 -8.612 7.310 257 HA GLU 38 HA GLU 38 108.017 -6.581 8.737 258 HB2 GLU 38 HB2 GLU 38 106.520 -7.899 10.043 259 HB3 GLU 38 HB1 GLU 38 106.276 -8.423 8.377 260 HG2 GLU 38 HG2 GLU 38 108.052 -10.237 8.901 261 HG3 GLU 38 HG1 GLU 38 107.766 -9.831 10.596 262 H PHE 39 HN PHE 39 108.401 -6.664 11.074 263 HA PHE 39 HA PHE 39 110.722 -8.329 11.896 264 HB2 PHE 39 HB2 PHE 39 111.571 -6.178 13.106 265 HB3 PHE 39 HB1 PHE 39 111.928 -6.368 11.393 266 HD1 PHE 39 HD2 PHE 39 110.124 -5.387 9.747 267 HD2 PHE 39 HD1 PHE 39 110.580 -4.180 13.837 268 HE1 PHE 39 HE2 PHE 39 108.974 -3.250 9.241 269 HE2 PHE 39 HE1 PHE 39 109.437 -2.038 13.330 270 HZ PHE 39 HZ PHE 39 108.633 -1.574 11.033 271 H SER 40 HN SER 40 110.992 -7.590 14.432 272 HA SER 40 HA SER 40 108.212 -7.706 15.576 273 HB2 SER 40 HB2 SER 40 109.344 -9.873 15.765 274 HB3 SER 40 HB1 SER 40 110.724 -9.103 16.542 275 HG SER 40 HG SER 40 108.539 -8.337 17.822 276 H ILE 41 HN ILE 41 107.849 -6.567 17.484 277 HA ILE 41 HA ILE 41 110.075 -5.017 18.674 278 HB ILE 41 HB ILE 41 107.570 -3.821 17.457 279 HG12 ILE 41 HG12 ILE 41 110.477 -2.968 17.298 280 HG13 ILE 41 HG11 ILE 41 109.724 -4.049 16.129 281 HG21 ILE 41 HG21 ILE 41 108.424 -1.670 18.582 282 HG22 ILE 41 HG22 ILE 41 109.386 -2.723 19.618 283 HG23 ILE 41 HG23 ILE 41 107.627 -2.837 19.636 284 HD11 ILE 41 HD11 ILE 41 108.270 -2.379 15.332 285 HD12 ILE 41 HD12 ILE 41 109.786 -1.515 15.578 286 HD13 ILE 41 HD13 ILE 41 108.490 -1.370 16.761 287 H TRP 42 HN TRP 42 109.889 -6.159 20.585 288 HA TRP 42 HA TRP 42 107.243 -6.553 21.828 289 HB2 TRP 42 HB2 TRP 42 108.551 -8.422 22.248 290 HB3 TRP 42 HB1 TRP 42 110.043 -7.494 22.284 291 HD1 TRP 42 HD1 TRP 42 110.401 -5.950 24.567 292 HE1 TRP 42 HE1 TRP 42 109.774 -6.508 27.004 293 HE3 TRP 42 HE3 TRP 42 106.969 -9.647 23.772 294 HZ2 TRP 42 HZ2 TRP 42 108.046 -8.285 28.428 295 HZ3 TRP 42 HZ3 TRP 42 105.851 -10.755 25.686 296 HH2 TRP 42 HH2 TRP 42 106.384 -10.079 28.010 297 H THR 43 HN THR 43 106.568 -5.496 23.725 298 HA THR 43 HA THR 43 108.271 -3.676 25.198 299 HB THR 43 HB THR 43 108.027 -2.212 23.311 300 HG1 THR 43 HG1 THR 43 106.099 -0.874 24.422 301 HG21 THR 43 HG21 THR 43 105.635 -1.626 22.554 302 HG22 THR 43 HG22 THR 43 105.143 -3.097 23.394 303 HG23 THR 43 HG23 THR 43 106.281 -3.187 22.050 304 H ARG 44 HN ARG 44 105.422 -2.109 25.221 305 HA ARG 44 HA ARG 44 103.615 -2.091 26.711 306 HB2 ARG 44 HB2 ARG 44 103.133 -4.176 25.284 307 HB3 ARG 44 HB1 ARG 44 103.765 -5.109 26.640 308 HG2 ARG 44 HG2 ARG 44 102.101 -4.094 28.137 309 HG3 ARG 44 HG1 ARG 44 101.479 -3.124 26.802 310 HD2 ARG 44 HD2 ARG 44 100.858 -5.166 25.584 311 HD3 ARG 44 HD1 ARG 44 101.513 -6.156 26.889 312 HE ARG 44 HE ARG 44 99.658 -4.535 28.157 313 HH11 ARG 44 HH21 ARG 44 99.684 -6.648 25.432 314 HH12 ARG 44 HH22 ARG 44 98.024 -7.112 25.609 315 HH21 ARG 44 HH11 ARG 44 97.491 -5.127 28.402 316 HH22 ARG 44 HH12 ARG 44 96.783 -6.251 27.290 317 H GLU 45 HN GLU 45 105.207 -1.299 28.343 318 HA GLU 45 HA GLU 45 105.090 -2.966 30.737 319 HB2 GLU 45 HB2 GLU 45 107.186 -3.693 29.389 320 HB3 GLU 45 HB1 GLU 45 107.855 -2.129 29.854 321 HG2 GLU 45 HG2 GLU 45 107.404 -2.691 32.246 322 HG3 GLU 45 HG1 GLU 45 106.870 -4.293 31.735 323 H ALA 46 HN ALA 46 106.589 -0.095 29.227 324 HA ALA 46 HA ALA 46 106.893 1.404 31.639 325 HB1 ALA 46 HB1 ALA 46 107.976 2.080 29.534 326 HB2 ALA 46 HB2 ALA 46 106.971 3.387 30.156 327 HB3 ALA 46 HB3 ALA 46 106.397 2.396 28.817 328 H GLY 47 HN GLY 47 104.331 1.614 29.156 329 HA2 GLY 47 HA2 GLY 47 102.065 1.514 30.653 330 HA3 GLY 47 HA1 GLY 47 102.638 3.147 31.000 331 H ALA 48 HN ALA 48 100.288 3.210 29.809 332 HA ALA 48 HA ALA 48 100.088 2.913 27.015 333 HB1 ALA 48 HB1 ALA 48 98.857 5.105 28.717 334 HB2 ALA 48 HB2 ALA 48 98.173 3.497 28.480 335 HB3 ALA 48 HB3 ALA 48 98.306 4.609 27.117 336 H GLY 49 HN GLY 49 100.608 4.281 25.263 337 HA2 GLY 49 HA2 GLY 49 101.763 6.920 25.696 338 HA3 GLY 49 HA1 GLY 49 102.976 5.714 25.264 339 H GLY 50 HN GLY 50 103.213 7.144 23.310 340 HA2 GLY 50 HA2 GLY 50 101.326 6.245 21.170 341 HA3 GLY 50 HA1 GLY 50 101.725 7.957 21.314 342 H LEU 51 HN LEU 51 102.567 5.154 19.740 343 HA LEU 51 HA LEU 51 105.454 5.803 19.478 344 HB2 LEU 51 HB2 LEU 51 104.803 3.431 19.657 345 HB3 LEU 51 HB1 LEU 51 103.761 3.603 18.246 346 HG LEU 51 HG LEU 51 105.732 4.171 16.860 347 HD11 LEU 51 HD11 LEU 51 107.323 5.168 18.234 348 HD12 LEU 51 HD12 LEU 51 108.002 3.552 18.075 349 HD13 LEU 51 HD13 LEU 51 107.109 3.991 19.529 350 HD21 LEU 51 HD21 LEU 51 105.021 1.823 17.046 351 HD22 LEU 51 HD22 LEU 51 106.029 1.619 18.479 352 HD23 LEU 51 HD23 LEU 51 106.777 1.921 16.911 353 H SER 52 HN SER 52 105.825 7.488 18.129 354 HA SER 52 HA SER 52 104.081 7.918 15.762 355 HB2 SER 52 HB2 SER 52 106.268 9.542 17.062 356 HB3 SER 52 HB1 SER 52 105.571 9.978 15.505 357 HG SER 52 HG SER 52 104.449 11.015 17.157 358 H ILE 53 HN ILE 53 104.872 7.630 13.591 359 HA ILE 53 HA ILE 53 107.714 6.714 13.340 360 HB ILE 53 HB ILE 53 105.280 5.407 12.093 361 HG12 ILE 53 HG12 ILE 53 107.293 4.265 14.053 362 HG13 ILE 53 HG11 ILE 53 105.738 4.933 14.546 363 HG21 ILE 53 HG21 ILE 53 108.257 4.964 11.783 364 HG22 ILE 53 HG22 ILE 53 107.074 5.297 10.519 365 HG23 ILE 53 HG23 ILE 53 107.066 3.739 11.344 366 HD11 ILE 53 HD11 ILE 53 104.533 3.287 13.281 367 HD12 ILE 53 HD12 ILE 53 105.761 2.419 14.202 368 HD13 ILE 53 HD13 ILE 53 106.006 2.734 12.485 369 H ALA 54 HN ALA 54 108.687 8.082 11.964 370 HA ALA 54 HA ALA 54 107.106 9.312 9.735 371 HB1 ALA 54 HB1 ALA 54 109.813 10.177 10.792 372 HB2 ALA 54 HB2 ALA 54 108.293 10.827 11.404 373 HB3 ALA 54 HB3 ALA 54 108.743 11.077 9.717 374 H VAL 55 HN VAL 55 107.368 8.053 7.946 375 HA VAL 55 HA VAL 55 109.987 6.722 7.470 376 HB VAL 55 HB VAL 55 108.466 5.690 5.536 377 HG11 VAL 55 HG11 VAL 55 107.779 3.908 7.102 378 HG12 VAL 55 HG12 VAL 55 108.151 4.963 8.465 379 HG13 VAL 55 HG13 VAL 55 109.443 4.408 7.401 380 HG21 VAL 55 HG21 VAL 55 106.375 6.326 7.623 381 HG22 VAL 55 HG22 VAL 55 106.141 5.672 6.002 382 HG23 VAL 55 HG23 VAL 55 106.617 7.356 6.212 383 H GLU 56 HN GLU 56 111.194 7.114 5.624 384 HA GLU 56 HA GLU 56 110.142 9.044 3.617 385 HB2 GLU 56 HB2 GLU 56 111.458 10.375 5.257 386 HB3 GLU 56 HB1 GLU 56 112.827 9.314 5.014 387 HG2 GLU 56 HG2 GLU 56 113.363 11.046 3.547 388 HG3 GLU 56 HG1 GLU 56 112.520 9.960 2.461 389 H GLY 57 HN GLY 57 110.949 8.565 1.522 390 HA2 GLY 57 HA2 GLY 57 113.212 7.003 0.921 391 HA3 GLY 57 HA1 GLY 57 111.896 5.867 1.171 392 HA PRO 58 HA PRO 58 111.840 7.443 -3.238 393 HB2 PRO 58 HB2 PRO 58 111.617 4.686 -4.128 394 HB3 PRO 58 HB1 PRO 58 112.952 5.818 -4.392 395 HG2 PRO 58 HG2 PRO 58 112.937 3.530 -2.647 396 HG3 PRO 58 HG1 PRO 58 114.237 4.710 -2.858 397 HD2 PRO 58 HD2 PRO 58 112.409 4.430 -0.597 398 HD3 PRO 58 HD1 PRO 58 113.813 5.505 -0.751 399 H SER 59 HN SER 59 110.030 4.953 -1.490 400 HA SER 59 HA SER 59 107.512 5.981 -2.750 401 HB2 SER 59 HB2 SER 59 108.234 3.063 -2.380 402 HB3 SER 59 HB1 SER 59 106.677 3.666 -2.941 403 HG SER 59 HG SER 59 108.820 4.700 -4.298 404 H LYS 60 HN LYS 60 105.598 5.527 -1.448 405 HA LYS 60 HA LYS 60 106.144 5.816 1.393 406 HB2 LYS 60 HB2 LYS 60 103.419 5.272 0.211 407 HB3 LYS 60 HB1 LYS 60 103.833 6.243 1.625 408 HG2 LYS 60 HG2 LYS 60 105.042 7.831 0.077 409 HG3 LYS 60 HG1 LYS 60 104.376 6.919 -1.277 410 HD2 LYS 60 HD2 LYS 60 102.076 7.328 -0.288 411 HD3 LYS 60 HD1 LYS 60 102.843 8.449 0.837 412 HE2 LYS 60 HE2 LYS 60 102.081 9.784 -0.993 413 HE3 LYS 60 HE1 LYS 60 103.824 9.623 -1.205 414 HZ1 LYS 60 HZ1 LYS 60 101.643 8.372 -2.718 415 HZ2 LYS 60 HZ2 LYS 60 103.120 7.544 -2.579 416 HZ3 LYS 60 HZ3 LYS 60 103.072 9.090 -3.282 417 H ALA 61 HN ALA 61 107.108 3.868 2.086 418 HA ALA 61 HA ALA 61 106.104 1.266 1.461 419 HB1 ALA 61 HB1 ALA 61 107.665 2.190 3.893 420 HB2 ALA 61 HB2 ALA 61 108.366 1.635 2.372 421 HB3 ALA 61 HB3 ALA 61 107.461 0.512 3.388 422 H GLU 62 HN GLU 62 104.472 0.058 2.413 423 HA GLU 62 HA GLU 62 102.635 1.480 4.180 424 HB2 GLU 62 HB2 GLU 62 102.509 -1.426 3.342 425 HB3 GLU 62 HB1 GLU 62 101.195 -0.450 3.987 426 HG2 GLU 62 HG2 GLU 62 102.638 0.273 1.427 427 HG3 GLU 62 HG1 GLU 62 101.198 -0.744 1.455 428 H ILE 63 HN ILE 63 101.771 0.174 6.135 429 HA ILE 63 HA ILE 63 103.939 -1.248 7.581 430 HB ILE 63 HB ILE 63 102.408 1.164 8.618 431 HG12 ILE 63 HG12 ILE 63 104.971 1.775 9.095 432 HG13 ILE 63 HG11 ILE 63 105.262 0.650 7.773 433 HG21 ILE 63 HG21 ILE 63 103.866 0.718 10.684 434 HG22 ILE 63 HG22 ILE 63 104.136 -0.887 10.008 435 HG23 ILE 63 HG23 ILE 63 102.503 -0.372 10.430 436 HD11 ILE 63 HD11 ILE 63 104.058 3.356 7.731 437 HD12 ILE 63 HD12 ILE 63 103.260 2.176 6.693 438 HD13 ILE 63 HD13 ILE 63 104.977 2.515 6.487 439 H ALA 64 HN ALA 64 103.068 -2.705 9.255 440 HA ALA 64 HA ALA 64 100.123 -2.788 9.534 441 HB1 ALA 64 HB1 ALA 64 101.726 -4.772 7.973 442 HB2 ALA 64 HB2 ALA 64 100.080 -4.211 7.703 443 HB3 ALA 64 HB3 ALA 64 100.409 -5.396 8.967 444 H PHE 65 HN PHE 65 99.794 -3.079 11.670 445 HA PHE 65 HA PHE 65 101.934 -4.208 13.354 446 HB2 PHE 65 HB2 PHE 65 100.473 -3.563 15.224 447 HB3 PHE 65 HB1 PHE 65 100.653 -2.218 14.096 448 HD1 PHE 65 HD2 PHE 65 98.373 -4.833 15.349 449 HD2 PHE 65 HD1 PHE 65 98.809 -1.496 12.679 450 HE1 PHE 65 HE2 PHE 65 95.915 -4.768 15.029 451 HE2 PHE 65 HE1 PHE 65 96.351 -1.431 12.360 452 HZ PHE 65 HZ PHE 65 94.904 -3.067 13.535 453 H GLU 66 HN GLU 66 101.852 -6.205 14.350 454 HA GLU 66 HA GLU 66 99.363 -7.833 14.122 455 HB2 GLU 66 HB2 GLU 66 100.949 -8.316 12.182 456 HB3 GLU 66 HB1 GLU 66 102.086 -8.934 13.381 457 HG2 GLU 66 HG2 GLU 66 100.483 -10.603 14.120 458 HG3 GLU 66 HG1 GLU 66 99.239 -9.926 13.068 459 H ASP 67 HN ASP 67 98.942 -8.631 16.116 460 HA ASP 67 HA ASP 67 101.000 -8.559 18.198 461 HB2 ASP 67 HB2 ASP 67 99.162 -9.429 19.653 462 HB3 ASP 67 HB1 ASP 67 98.711 -7.959 18.787 463 H ARG 68 HN ARG 68 102.519 -10.146 17.431 464 HA ARG 68 HA ARG 68 101.544 -12.963 17.268 465 HB2 ARG 68 HB2 ARG 68 104.295 -11.820 16.678 466 HB3 ARG 68 HB1 ARG 68 103.750 -13.464 16.343 467 HG2 ARG 68 HG2 ARG 68 101.882 -12.361 14.937 468 HG3 ARG 68 HG1 ARG 68 102.856 -10.893 15.036 469 HD2 ARG 68 HD2 ARG 68 103.481 -13.491 13.664 470 HD3 ARG 68 HD1 ARG 68 103.688 -11.842 13.073 471 HE ARG 68 HE ARG 68 105.458 -12.006 15.196 472 HH11 ARG 68 HH21 ARG 68 104.796 -13.825 12.342 473 HH12 ARG 68 HH22 ARG 68 106.433 -14.352 12.138 474 HH21 ARG 68 HH11 ARG 68 107.600 -12.686 14.946 475 HH22 ARG 68 HH12 ARG 68 108.020 -13.707 13.612 476 H LYS 69 HN LYS 69 102.856 -14.605 18.486 477 HA LYS 69 HA LYS 69 103.725 -15.426 20.453 478 HB2 LYS 69 HB2 LYS 69 105.045 -12.753 20.889 479 HB3 LYS 69 HB1 LYS 69 105.630 -14.369 21.268 480 HG2 LYS 69 HG2 LYS 69 105.526 -14.746 18.671 481 HG3 LYS 69 HG1 LYS 69 105.542 -12.985 18.602 482 HD2 LYS 69 HD2 LYS 69 107.637 -12.925 19.872 483 HD3 LYS 69 HD1 LYS 69 107.604 -14.680 20.043 484 HE2 LYS 69 HE2 LYS 69 107.571 -13.349 17.331 485 HE3 LYS 69 HE1 LYS 69 109.079 -13.729 18.162 486 HZ1 LYS 69 HZ1 LYS 69 106.985 -15.584 17.212 487 HZ2 LYS 69 HZ2 LYS 69 108.108 -16.051 18.399 488 HZ3 LYS 69 HZ3 LYS 69 108.643 -15.588 16.854 489 H ASP 70 HN ASP 70 101.412 -13.219 20.235 490 HA ASP 70 HA ASP 70 99.839 -12.359 21.759 491 HB2 ASP 70 HB2 ASP 70 100.139 -14.849 22.399 492 HB3 ASP 70 HB1 ASP 70 101.044 -14.252 23.768 493 H GLY 71 HN GLY 71 103.042 -11.860 22.042 494 HA2 GLY 71 HA2 GLY 71 102.657 -9.862 24.205 495 HA3 GLY 71 HA1 GLY 71 103.917 -11.078 24.408 496 H SER 72 HN SER 72 104.566 -11.131 21.523 497 HA SER 72 HA SER 72 106.214 -8.651 21.461 498 HB2 SER 72 HB2 SER 72 107.205 -10.977 21.097 499 HB3 SER 72 HB1 SER 72 106.340 -11.004 19.562 500 HG SER 72 HG SER 72 107.555 -9.343 18.842 501 H CYS 73 HN CYS 73 105.699 -7.004 20.087 502 HA CYS 73 HA CYS 73 103.319 -7.234 18.413 503 HB2 CYS 73 HB2 CYS 73 104.109 -5.143 19.690 504 HB3 CYS 73 HB1 CYS 73 105.287 -4.939 18.393 505 HG CYS 73 HG CYS 73 102.709 -5.269 17.019 506 H GLY 74 HN GLY 74 103.291 -6.959 16.105 507 HA2 GLY 74 HA2 GLY 74 105.891 -7.559 14.725 508 HA3 GLY 74 HA1 GLY 74 104.395 -8.378 14.289 509 H VAL 75 HN VAL 75 106.362 -5.770 13.599 510 HA VAL 75 HA VAL 75 104.153 -4.151 12.374 511 HB VAL 75 HB VAL 75 107.099 -3.489 12.618 512 HG11 VAL 75 HG11 VAL 75 105.811 -2.276 10.865 513 HG12 VAL 75 HG12 VAL 75 106.344 -1.206 12.161 514 HG13 VAL 75 HG13 VAL 75 104.669 -1.753 12.103 515 HG21 VAL 75 HG21 VAL 75 104.751 -2.996 14.457 516 HG22 VAL 75 HG22 VAL 75 106.151 -1.923 14.460 517 HG23 VAL 75 HG23 VAL 75 106.347 -3.630 14.860 518 H SER 76 HN SER 76 103.656 -5.208 10.478 519 HA SER 76 HA SER 76 105.801 -6.148 8.701 520 HB2 SER 76 HB2 SER 76 104.092 -7.589 8.212 521 HB3 SER 76 HB1 SER 76 102.902 -6.521 8.943 522 HG SER 76 HG SER 76 104.066 -6.248 6.362 523 H TYR 77 HN TYR 77 105.771 -5.357 6.363 524 HA TYR 77 HA TYR 77 104.613 -2.725 5.834 525 HB2 TYR 77 HB2 TYR 77 106.722 -1.487 5.722 526 HB3 TYR 77 HB1 TYR 77 106.555 -2.172 7.337 527 HD1 TYR 77 HD2 TYR 77 107.608 -4.549 7.686 528 HD2 TYR 77 HD1 TYR 77 108.686 -1.881 4.500 529 HE1 TYR 77 HE2 TYR 77 109.743 -5.768 7.387 530 HE2 TYR 77 HE1 TYR 77 110.825 -3.099 4.204 531 HH TYR 77 HH TYR 77 112.329 -4.556 5.681 532 H VAL 78 HN VAL 78 105.510 -1.896 3.627 533 HA VAL 78 HA VAL 78 106.665 -4.113 1.985 534 HB VAL 78 HB VAL 78 104.094 -4.141 1.907 535 HG11 VAL 78 HG11 VAL 78 104.392 -1.847 -0.027 536 HG12 VAL 78 HG12 VAL 78 104.096 -1.535 1.680 537 HG13 VAL 78 HG13 VAL 78 102.933 -2.469 0.745 538 HG21 VAL 78 HG21 VAL 78 104.146 -4.384 -0.638 539 HG22 VAL 78 HG22 VAL 78 105.324 -5.350 0.251 540 HG23 VAL 78 HG23 VAL 78 105.830 -3.867 -0.557 541 H VAL 79 HN VAL 79 108.392 -3.258 1.019 542 HA VAL 79 HA VAL 79 108.525 -0.350 0.474 543 HB VAL 79 HB VAL 79 110.886 -0.991 -0.276 544 HG11 VAL 79 HG11 VAL 79 109.753 -1.286 2.502 545 HG12 VAL 79 HG12 VAL 79 110.864 -0.072 1.871 546 HG13 VAL 79 HG13 VAL 79 111.449 -1.689 2.251 547 HG21 VAL 79 HG21 VAL 79 110.214 -3.609 1.098 548 HG22 VAL 79 HG22 VAL 79 111.676 -3.200 0.203 549 HG23 VAL 79 HG23 VAL 79 110.153 -3.425 -0.655 550 H GLN 80 HN GLN 80 108.964 0.453 -1.699 551 HA GLN 80 HA GLN 80 107.719 -1.261 -3.772 552 HB2 GLN 80 HB2 GLN 80 107.115 1.218 -3.284 553 HB3 GLN 80 HB1 GLN 80 108.597 1.598 -4.162 554 HG2 GLN 80 HG2 GLN 80 107.691 0.086 -6.029 555 HG3 GLN 80 HG1 GLN 80 106.146 0.154 -5.183 556 HE21 GLN 80 HE21 GLN 80 104.980 2.182 -5.182 557 HE22 GLN 80 HE22 GLN 80 105.447 3.490 -6.157 558 H GLU 81 HN GLU 81 110.736 0.683 -3.380 559 HA GLU 81 HA GLU 81 112.093 -1.261 -5.127 560 HB2 GLU 81 HB2 GLU 81 111.819 1.665 -5.850 561 HB3 GLU 81 HB1 GLU 81 112.962 0.581 -6.627 562 HG2 GLU 81 HG2 GLU 81 109.939 0.325 -6.644 563 HG3 GLU 81 HG1 GLU 81 110.966 0.768 -7.999 564 HA PRO 82 HA PRO 82 115.745 -0.717 -2.692 565 HB2 PRO 82 HB2 PRO 82 117.051 0.015 -5.277 566 HB3 PRO 82 HB1 PRO 82 117.600 -1.112 -4.018 567 HG2 PRO 82 HG2 PRO 82 116.393 -1.998 -6.312 568 HG3 PRO 82 HG1 PRO 82 116.237 -2.806 -4.762 569 HD2 PRO 82 HD2 PRO 82 114.164 -1.339 -6.220 570 HD3 PRO 82 HD1 PRO 82 114.007 -2.467 -4.867 571 H GLY 83 HN GLY 83 117.176 0.839 -1.918 572 HA2 GLY 83 HA2 GLY 83 117.878 3.342 -2.623 573 HA3 GLY 83 HA1 GLY 83 116.180 3.610 -2.223 574 H ASP 84 HN ASP 84 116.907 4.971 -0.445 575 HA ASP 84 HA ASP 84 117.973 3.426 1.903 576 HB2 ASP 84 HB2 ASP 84 118.175 6.387 1.272 577 HB3 ASP 84 HB1 ASP 84 118.769 5.619 2.744 578 H TYR 85 HN TYR 85 115.899 2.780 2.667 579 HA TYR 85 HA TYR 85 113.805 4.789 3.073 580 HB2 TYR 85 HB2 TYR 85 114.101 1.853 3.423 581 HB3 TYR 85 HB1 TYR 85 113.024 2.616 4.589 582 HD1 TYR 85 HD2 TYR 85 111.103 4.011 3.754 583 HD2 TYR 85 HD1 TYR 85 113.467 1.545 1.155 584 HE1 TYR 85 HE2 TYR 85 109.323 4.121 2.040 585 HE2 TYR 85 HE1 TYR 85 111.693 1.649 -0.567 586 HH TYR 85 HH TYR 85 108.549 2.924 0.115 587 H GLU 86 HN GLU 86 113.584 6.022 4.847 588 HA GLU 86 HA GLU 86 115.362 5.480 7.210 589 HB2 GLU 86 HB2 GLU 86 114.318 8.212 7.121 590 HB3 GLU 86 HB1 GLU 86 115.994 7.674 7.122 591 HG2 GLU 86 HG2 GLU 86 114.273 7.663 4.622 592 HG3 GLU 86 HG1 GLU 86 115.277 9.032 5.094 593 H VAL 87 HN VAL 87 114.337 5.048 9.093 594 HA VAL 87 HA VAL 87 111.448 5.814 9.364 595 HB VAL 87 HB VAL 87 111.955 3.357 8.892 596 HG11 VAL 87 HG11 VAL 87 112.800 3.308 11.790 597 HG12 VAL 87 HG12 VAL 87 113.971 3.380 10.473 598 HG13 VAL 87 HG13 VAL 87 112.880 2.001 10.609 599 HG21 VAL 87 HG21 VAL 87 110.395 2.613 10.776 600 HG22 VAL 87 HG22 VAL 87 109.808 3.939 9.772 601 HG23 VAL 87 HG23 VAL 87 110.479 4.272 11.368 602 H SER 88 HN SER 88 110.878 6.717 11.296 603 HA SER 88 HA SER 88 112.925 6.804 13.482 604 HB2 SER 88 HB2 SER 88 112.517 9.115 13.842 605 HB3 SER 88 HB1 SER 88 112.669 8.961 12.094 606 HG SER 88 HG SER 88 110.806 10.176 12.857 607 H ILE 89 HN ILE 89 111.925 5.282 14.767 608 HA ILE 89 HA ILE 89 109.076 5.777 15.532 609 HB ILE 89 HB ILE 89 108.852 3.503 15.906 610 HG12 ILE 89 HG12 ILE 89 111.845 3.442 16.379 611 HG13 ILE 89 HG11 ILE 89 110.577 3.137 17.561 612 HG21 ILE 89 HG21 ILE 89 109.708 2.381 13.998 613 HG22 ILE 89 HG22 ILE 89 111.142 3.407 13.947 614 HG23 ILE 89 HG23 ILE 89 109.567 4.072 13.517 615 HD11 ILE 89 HD11 ILE 89 109.907 1.221 15.811 616 HD12 ILE 89 HD12 ILE 89 111.133 0.954 17.046 617 HD13 ILE 89 HD13 ILE 89 111.618 1.351 15.399 618 H LYS 90 HN LYS 90 108.582 6.352 17.586 619 HA LYS 90 HA LYS 90 110.625 6.099 19.731 620 HB2 LYS 90 HB2 LYS 90 110.192 8.418 20.407 621 HB3 LYS 90 HB1 LYS 90 110.845 8.382 18.782 622 HG2 LYS 90 HG2 LYS 90 108.208 8.228 18.170 623 HG3 LYS 90 HG1 LYS 90 108.072 9.054 19.711 624 HD2 LYS 90 HD2 LYS 90 108.309 10.906 18.337 625 HD3 LYS 90 HD1 LYS 90 110.014 10.587 18.649 626 HE2 LYS 90 HE2 LYS 90 108.473 9.493 16.278 627 HE3 LYS 90 HE1 LYS 90 109.507 10.922 16.218 628 HZ1 LYS 90 HZ1 LYS 90 110.286 8.115 16.727 629 HZ2 LYS 90 HZ2 LYS 90 111.302 9.414 17.138 630 HZ3 LYS 90 HZ3 LYS 90 110.852 9.162 15.519 631 H PHE 91 HN PHE 91 109.581 5.186 21.485 632 HA PHE 91 HA PHE 91 106.634 5.140 21.517 633 HB2 PHE 91 HB2 PHE 91 108.022 3.194 22.298 634 HB3 PHE 91 HB1 PHE 91 108.565 4.179 23.653 635 HD1 PHE 91 HD1 PHE 91 105.368 3.212 21.941 636 HD2 PHE 91 HD2 PHE 91 107.362 4.019 25.662 637 HE1 PHE 91 HE1 PHE 91 103.300 2.633 23.178 638 HE2 PHE 91 HE2 PHE 91 105.290 3.436 26.897 639 HZ PHE 91 HZ PHE 91 103.260 2.744 25.653 640 H ASN 92 HN ASN 92 105.828 7.178 21.940 641 HA ASN 92 HA ASN 92 105.232 9.020 23.256 642 HB2 ASN 92 HB2 ASN 92 105.481 7.147 25.114 643 HB3 ASN 92 HB1 ASN 92 106.942 8.036 25.538 644 HD21 ASN 92 HD21 ASN 92 104.817 7.970 27.385 645 HD22 ASN 92 HD22 ASN 92 104.102 9.508 27.476 646 H ASP 93 HN ASP 93 107.484 9.067 21.509 647 HA ASP 93 HA ASP 93 109.085 10.673 20.928 648 HB2 ASP 93 HB2 ASP 93 109.093 11.841 23.692 649 HB3 ASP 93 HB1 ASP 93 109.358 12.616 22.132 650 H GLU 94 HN GLU 94 109.591 8.081 22.677 651 HA GLU 94 HA GLU 94 112.374 8.839 23.524 652 HB2 GLU 94 HB2 GLU 94 112.463 6.737 24.735 653 HB3 GLU 94 HB1 GLU 94 111.010 7.608 25.202 654 HG2 GLU 94 HG2 GLU 94 109.951 5.628 24.791 655 HG3 GLU 94 HG1 GLU 94 110.058 6.107 23.103 656 H HIS 95 HN HIS 95 113.507 8.858 21.636 657 HA HIS 95 HA HIS 95 113.060 7.003 19.480 658 HB2 HIS 95 HB2 HIS 95 115.571 8.610 20.020 659 HB3 HIS 95 HB1 HIS 95 115.010 7.995 18.465 660 HD1 HIS 95 HD1 HIS 95 113.413 9.446 17.162 661 HD2 HIS 95 HD2 HIS 95 113.813 10.711 21.114 662 HE1 HIS 95 HE1 HIS 95 112.155 11.637 17.344 663 H ILE 96 HN ILE 96 113.358 4.863 19.906 664 HA ILE 96 HA ILE 96 115.090 3.697 21.778 665 HB ILE 96 HB ILE 96 115.075 1.694 20.158 666 HG12 ILE 96 HG12 ILE 96 113.128 3.423 18.623 667 HG13 ILE 96 HG11 ILE 96 114.824 3.288 18.154 668 HG21 ILE 96 HG21 ILE 96 112.565 3.088 21.099 669 HG22 ILE 96 HG22 ILE 96 113.413 1.742 21.860 670 HG23 ILE 96 HG23 ILE 96 112.526 1.489 20.358 671 HD11 ILE 96 HD11 ILE 96 113.366 1.656 16.952 672 HD12 ILE 96 HD12 ILE 96 112.950 0.932 18.506 673 HD13 ILE 96 HD13 ILE 96 114.610 0.869 17.921 674 HA PRO 97 HA PRO 97 119.198 4.438 20.223 675 HB2 PRO 97 HB2 PRO 97 120.268 1.802 20.678 676 HB3 PRO 97 HB1 PRO 97 120.406 3.211 21.734 677 HG2 PRO 97 HG2 PRO 97 118.707 0.844 22.069 678 HG3 PRO 97 HG1 PRO 97 119.049 2.133 23.234 679 HD2 PRO 97 HD2 PRO 97 116.602 1.739 21.841 680 HD3 PRO 97 HD1 PRO 97 117.055 3.165 22.793 681 H ASP 98 HN ASP 98 117.672 4.246 18.164 682 HA ASP 98 HA ASP 98 119.140 2.755 16.130 683 HB2 ASP 98 HB2 ASP 98 116.272 2.054 16.788 684 HB3 ASP 98 HB1 ASP 98 117.086 1.581 15.297 685 H SER 99 HN SER 99 115.950 4.212 16.682 686 HA SER 99 HA SER 99 115.819 5.358 14.099 687 HB2 SER 99 HB2 SER 99 113.721 5.311 15.065 688 HB3 SER 99 HB1 SER 99 114.356 5.664 16.667 689 HG SER 99 HG SER 99 114.744 7.698 14.886 690 HA PRO 100 HA PRO 100 115.361 7.003 12.819 691 HB2 PRO 100 HB2 PRO 100 116.662 8.782 11.126 692 HB3 PRO 100 HB1 PRO 100 115.277 9.207 12.142 693 HG2 PRO 100 HG2 PRO 100 118.097 10.016 12.451 694 HG3 PRO 100 HG1 PRO 100 116.655 10.699 13.218 695 HD2 PRO 100 HD2 PRO 100 118.594 8.889 14.394 696 HD3 PRO 100 HD1 PRO 100 117.154 9.586 15.163 697 H PHE 101 HN PHE 101 116.171 4.955 11.943 698 HA PHE 101 HA PHE 101 119.028 4.984 10.965 699 HB2 PHE 101 HB2 PHE 101 118.968 2.521 11.074 700 HB3 PHE 101 HB1 PHE 101 118.724 3.269 12.646 701 HD1 PHE 101 HD1 PHE 101 116.567 3.212 13.711 702 HD2 PHE 101 HD2 PHE 101 117.142 1.312 9.944 703 HE1 PHE 101 HE1 PHE 101 114.512 1.953 14.092 704 HE2 PHE 101 HE2 PHE 101 115.037 0.035 10.287 705 HZ PHE 101 HZ PHE 101 113.715 0.354 12.360 706 H VAL 102 HN VAL 102 119.473 3.779 8.996 707 HA VAL 102 HA VAL 102 117.356 4.271 6.993 708 HB VAL 102 HB VAL 102 119.600 5.122 6.526 709 HG11 VAL 102 HG11 VAL 102 120.844 3.437 7.852 710 HG12 VAL 102 HG12 VAL 102 121.484 3.579 6.216 711 HG13 VAL 102 HG13 VAL 102 120.455 2.214 6.644 712 HG21 VAL 102 HG21 VAL 102 118.125 4.222 4.673 713 HG22 VAL 102 HG22 VAL 102 119.054 2.726 4.752 714 HG23 VAL 102 HG23 VAL 102 119.848 4.233 4.299 715 H VAL 103 HN VAL 103 116.603 2.664 5.575 716 HA VAL 103 HA VAL 103 117.169 -0.185 6.341 717 HB VAL 103 HB VAL 103 114.557 1.135 5.558 718 HG11 VAL 103 HG11 VAL 103 113.688 -1.268 5.985 719 HG12 VAL 103 HG12 VAL 103 115.362 -1.775 5.762 720 HG13 VAL 103 HG13 VAL 103 114.501 -0.972 4.450 721 HG21 VAL 103 HG21 VAL 103 115.512 -0.326 8.037 722 HG22 VAL 103 HG22 VAL 103 113.855 0.217 7.775 723 HG23 VAL 103 HG23 VAL 103 115.159 1.397 7.910 724 HA PRO 104 HA PRO 104 118.282 0.662 1.930 725 HB2 PRO 104 HB2 PRO 104 120.161 -1.548 2.062 726 HB3 PRO 104 HB1 PRO 104 120.512 0.180 1.920 727 HG2 PRO 104 HG2 PRO 104 120.924 -1.469 4.228 728 HG3 PRO 104 HG1 PRO 104 121.133 0.285 4.123 729 HD2 PRO 104 HD2 PRO 104 118.985 -1.217 5.424 730 HD3 PRO 104 HD1 PRO 104 119.312 0.526 5.502 731 H VAL 105 HN VAL 105 116.697 -0.118 0.630 732 HA VAL 105 HA VAL 105 115.882 -2.971 0.797 733 HB VAL 105 HB VAL 105 114.816 -0.556 -0.701 734 HG11 VAL 105 HG11 VAL 105 114.512 -2.568 -2.126 735 HG12 VAL 105 HG12 VAL 105 112.973 -2.030 -1.462 736 HG13 VAL 105 HG13 VAL 105 113.799 -3.415 -0.760 737 HG21 VAL 105 HG21 VAL 105 114.410 -0.861 1.777 738 HG22 VAL 105 HG22 VAL 105 113.502 -2.313 1.362 739 HG23 VAL 105 HG23 VAL 105 112.962 -0.739 0.779 740 H ALA 106 HN ALA 106 116.315 -4.426 -0.957 741 HA ALA 106 HA ALA 106 118.122 -3.384 -3.132 742 HB1 ALA 106 HB1 ALA 106 119.014 -4.801 -0.999 743 HB2 ALA 106 HB2 ALA 106 119.764 -4.887 -2.588 744 HB3 ALA 106 HB3 ALA 106 118.617 -6.129 -2.087 745 H SER 107 HN SER 107 117.530 -4.014 -5.141 746 HA SER 107 HA SER 107 115.385 -6.042 -5.459 747 HB2 SER 107 HB2 SER 107 115.303 -5.194 -7.806 748 HB3 SER 107 HB1 SER 107 115.055 -3.908 -6.631 749 HG SER 107 HG SER 107 116.914 -4.089 -8.510 750 H LEU 108 HN LEU 108 116.610 -7.891 -5.120 751 HA LEU 108 HA LEU 108 118.062 -9.654 -5.673 752 HB2 LEU 108 HB2 LEU 108 117.468 -8.403 -8.362 753 HB3 LEU 108 HB1 LEU 108 118.579 -9.763 -8.226 754 HG LEU 108 HG LEU 108 116.846 -11.125 -7.177 755 HD11 LEU 108 HD11 LEU 108 115.265 -8.552 -7.320 756 HD12 LEU 108 HD12 LEU 108 115.600 -9.546 -5.902 757 HD13 LEU 108 HD13 LEU 108 114.482 -10.121 -7.137 758 HD21 LEU 108 HD21 LEU 108 116.973 -10.861 -9.711 759 HD22 LEU 108 HD22 LEU 108 115.620 -9.738 -9.575 760 HD23 LEU 108 HD23 LEU 108 115.422 -11.421 -9.086 761 H SER 109 HN SER 109 118.931 -6.637 -5.355 762 HA SER 109 HA SER 109 121.708 -6.862 -6.408 763 HB2 SER 109 HB2 SER 109 121.875 -4.532 -6.136 764 HB3 SER 109 HB1 SER 109 120.256 -4.790 -6.775 765 HG SER 109 HG SER 109 119.418 -4.491 -4.761 766 H ASP 110 HN ASP 110 119.842 -6.909 -3.456 767 HA ASP 110 HA ASP 110 120.535 -7.116 -1.206 768 HB2 ASP 110 HB2 ASP 110 121.412 -9.249 -2.312 769 HB3 ASP 110 HB1 ASP 110 122.979 -8.443 -2.404 770 H ASP 111 HN ASP 111 121.657 -4.940 -3.098 771 HA ASP 111 HA ASP 111 123.164 -3.507 -1.130 772 HB2 ASP 111 HB2 ASP 111 124.963 -5.051 -1.685 773 HB3 ASP 111 HB1 ASP 111 124.735 -4.750 -3.408 774 H ALA 112 HN ALA 112 122.029 -3.907 -4.456 775 HA ALA 112 HA ALA 112 121.485 -2.263 -6.059 776 HB1 ALA 112 HB1 ALA 112 121.476 -0.277 -3.782 777 HB2 ALA 112 HB2 ALA 112 120.191 -1.471 -3.968 778 HB3 ALA 112 HB3 ALA 112 120.480 -0.282 -5.237 779 H ARG 113 HN ARG 113 123.480 -2.203 -7.166 780 HA ARG 113 HA ARG 113 125.847 -0.938 -6.274 781 HB2 ARG 113 HB2 ARG 113 124.708 -1.696 -8.945 782 HB3 ARG 113 HB1 ARG 113 126.109 -0.632 -8.929 783 HG2 ARG 113 HG2 ARG 113 126.776 -3.006 -9.069 784 HG3 ARG 113 HG1 ARG 113 127.365 -2.255 -7.594 785 HD2 ARG 113 HD2 ARG 113 125.788 -3.346 -6.248 786 HD3 ARG 113 HD1 ARG 113 124.702 -3.682 -7.591 787 HE ARG 113 HE ARG 113 126.830 -5.366 -6.598 788 HH11 ARG 113 HH21 ARG 113 125.415 -4.285 -9.560 789 HH12 ARG 113 HH22 ARG 113 126.095 -5.576 -10.493 790 HH21 ARG 113 HH11 ARG 113 127.701 -7.041 -7.798 791 HH22 ARG 113 HH12 ARG 113 127.383 -7.134 -9.498 792 H ARG 114 HN ARG 114 126.602 0.992 -8.021 793 HA ARG 114 HA ARG 114 124.582 3.195 -7.787 794 HB2 ARG 114 HB2 ARG 114 126.445 3.126 -5.964 795 HB3 ARG 114 HB1 ARG 114 127.530 3.622 -7.262 796 HG2 ARG 114 HG2 ARG 114 125.683 5.468 -7.699 797 HG3 ARG 114 HG1 ARG 114 125.230 5.130 -6.035 798 HD2 ARG 114 HD2 ARG 114 127.824 6.220 -7.095 799 HD3 ARG 114 HD1 ARG 114 126.794 6.890 -5.836 800 HE ARG 114 HE ARG 114 128.988 5.088 -5.453 801 HH11 ARG 114 HH21 ARG 114 125.717 5.536 -4.443 802 HH12 ARG 114 HH22 ARG 114 125.876 4.511 -3.060 803 HH21 ARG 114 HH11 ARG 114 129.206 3.772 -3.649 804 HH22 ARG 114 HH12 ARG 114 127.847 3.521 -2.605 805 H LEU 115 HN LEU 115 126.431 1.356 -9.740 806 HA LEU 115 HA LEU 115 126.744 3.505 -11.814 807 HB2 LEU 115 HB2 LEU 115 128.525 1.066 -11.539 808 HB3 LEU 115 HB1 LEU 115 128.761 2.449 -12.604 809 HG LEU 115 HG LEU 115 128.744 2.642 -9.576 810 HD11 LEU 115 HD11 LEU 115 130.656 1.328 -10.128 811 HD12 LEU 115 HD12 LEU 115 131.252 2.978 -9.943 812 HD13 LEU 115 HD13 LEU 115 131.004 2.305 -11.554 813 HD21 LEU 115 HD21 LEU 115 129.405 4.547 -11.835 814 HD22 LEU 115 HD22 LEU 115 129.963 4.820 -10.185 815 HD23 LEU 115 HD23 LEU 115 128.238 4.769 -10.534 816 H THR 116 HN THR 116 125.770 0.275 -10.983 817 HA THR 116 HA THR 116 124.883 -0.268 -13.788 818 HB THR 116 HB THR 116 125.219 -2.170 -11.446 819 HG1 THR 116 HG1 THR 116 127.140 -1.277 -12.528 820 HG21 THR 116 HG21 THR 116 123.446 -2.893 -12.962 821 HG22 THR 116 HG22 THR 116 124.864 -3.917 -13.183 822 HG23 THR 116 HG23 THR 116 124.503 -2.648 -14.352 823 H VAL 117 HN VAL 117 123.717 -1.504 -10.698 824 HA VAL 117 HA VAL 117 120.948 -1.178 -11.383 825 HB VAL 117 HB VAL 117 122.387 -1.411 -8.724 826 HG11 VAL 117 HG11 VAL 117 119.437 -1.266 -9.373 827 HG12 VAL 117 HG12 VAL 117 120.340 -0.325 -8.185 828 HG13 VAL 117 HG13 VAL 117 120.027 -2.037 -7.899 829 HG21 VAL 117 HG21 VAL 117 121.384 -3.712 -8.790 830 HG22 VAL 117 HG22 VAL 117 122.527 -3.415 -10.100 831 HG23 VAL 117 HG23 VAL 117 120.792 -3.363 -10.414 832 H THR 118 HN THR 118 123.417 0.932 -10.710 833 HA THR 118 HA THR 118 123.582 3.117 -9.921 834 HB THR 118 HB THR 118 123.012 3.439 -12.217 835 HG1 THR 118 HG1 THR 118 122.855 5.421 -11.573 836 HG21 THR 118 HG21 THR 118 120.145 3.038 -11.319 837 HG22 THR 118 HG22 THR 118 121.053 2.068 -12.476 838 HG23 THR 118 HG23 THR 118 120.585 3.716 -12.883 839 H SER 119 HN SER 119 122.697 2.096 -7.804 840 HA SER 119 HA SER 119 121.555 2.613 -5.840 841 HB2 SER 119 HB2 SER 119 120.766 4.777 -5.591 842 HB3 SER 119 HB1 SER 119 121.702 4.994 -7.068 843 HG SER 119 HG SER 119 119.910 5.293 -8.128 844 H1 MET 1 HT1 MET 1 126.304 16.774 -13.012 845 H2 MET 1 HT2 MET 1 127.109 16.581 -11.528 846 H3 MET 1 HT3 MET 1 126.660 18.131 -12.058 847 HA MET 1 HA MET 1 124.868 15.936 -11.182 848 HB2 MET 1 HB2 MET 1 125.346 18.751 -10.158 849 HB3 MET 1 HB1 MET 1 124.175 17.608 -9.499 850 HG2 MET 1 HG2 MET 1 126.123 16.008 -9.137 851 HG3 MET 1 HG1 MET 1 127.191 17.362 -9.510 852 HE1 MET 1 HE1 MET 1 126.355 19.876 -8.352 853 HE2 MET 1 HE2 MET 1 127.898 19.081 -8.051 854 HE3 MET 1 HE3 MET 1 126.992 19.769 -6.706 855 H ALA 2 HN ALA 2 124.829 16.981 -13.886 856 HA ALA 2 HA ALA 2 122.802 19.048 -14.086 857 HB1 ALA 2 HB1 ALA 2 124.506 18.460 -15.878 858 HB2 ALA 2 HB2 ALA 2 122.845 18.610 -16.451 859 HB3 ALA 2 HB3 ALA 2 123.551 17.013 -16.203 860 H SER 3 HN SER 3 122.530 16.061 -12.850 861 HA SER 3 HA SER 3 119.647 15.978 -13.258 862 HB2 SER 3 HB2 SER 3 119.510 13.876 -14.416 863 HB3 SER 3 HB1 SER 3 120.603 14.894 -15.347 864 HG SER 3 HG SER 3 121.295 12.657 -14.838 865 H LYS 4 HN LYS 4 119.106 13.411 -12.422 866 HA LYS 4 HA LYS 4 118.941 12.215 -10.401 867 HB2 LYS 4 HB2 LYS 4 121.943 12.635 -10.471 868 HB3 LYS 4 HB1 LYS 4 121.099 11.417 -9.518 869 HG2 LYS 4 HG2 LYS 4 120.701 11.542 -12.508 870 HG3 LYS 4 HG1 LYS 4 122.116 10.737 -11.836 871 HD2 LYS 4 HD2 LYS 4 120.591 9.331 -10.428 872 HD3 LYS 4 HD1 LYS 4 119.216 10.070 -11.247 873 HE2 LYS 4 HE2 LYS 4 121.433 8.720 -12.792 874 HE3 LYS 4 HE1 LYS 4 120.050 7.818 -12.174 875 HZ1 LYS 4 HZ1 LYS 4 119.833 10.224 -13.897 876 HZ2 LYS 4 HZ2 LYS 4 118.569 9.198 -13.409 877 HZ3 LYS 4 HZ3 LYS 4 119.764 8.632 -14.476 878 HA PRO 5 HA PRO 5 119.395 16.213 -8.015 879 HB2 PRO 5 HB2 PRO 5 116.633 15.942 -7.185 880 HB3 PRO 5 HB1 PRO 5 117.327 17.170 -8.251 881 HG2 PRO 5 HG2 PRO 5 115.604 14.977 -8.998 882 HG3 PRO 5 HG1 PRO 5 116.330 16.188 -10.064 883 HD2 PRO 5 HD2 PRO 5 117.072 13.391 -9.764 884 HD3 PRO 5 HD1 PRO 5 117.732 14.581 -10.904 885 H GLU 6 HN GLU 6 117.737 16.108 -5.617 886 HA GLU 6 HA GLU 6 118.680 13.582 -4.298 887 HB2 GLU 6 HB2 GLU 6 120.210 15.495 -3.777 888 HB3 GLU 6 HB1 GLU 6 118.832 16.369 -3.106 889 HG2 GLU 6 HG2 GLU 6 118.496 14.659 -1.418 890 HG3 GLU 6 HG1 GLU 6 119.738 13.640 -2.146 891 H LYS 7 HN LYS 7 116.386 12.979 -4.648 892 HA LYS 7 HA LYS 7 114.766 13.729 -2.325 893 HB2 LYS 7 HB2 LYS 7 112.781 14.284 -3.871 894 HB3 LYS 7 HB1 LYS 7 114.026 15.522 -3.692 895 HG2 LYS 7 HG2 LYS 7 115.031 14.946 -5.793 896 HG3 LYS 7 HG1 LYS 7 114.065 13.481 -5.927 897 HD2 LYS 7 HD2 LYS 7 112.998 15.024 -7.374 898 HD3 LYS 7 HD1 LYS 7 112.008 15.037 -5.918 899 HE2 LYS 7 HE2 LYS 7 112.490 17.330 -6.776 900 HE3 LYS 7 HE1 LYS 7 113.103 17.079 -5.144 901 HZ1 LYS 7 HZ1 LYS 7 114.871 16.478 -7.400 902 HZ2 LYS 7 HZ2 LYS 7 115.253 17.059 -5.850 903 HZ3 LYS 7 HZ3 LYS 7 114.598 18.107 -7.016 904 H ARG 8 HN ARG 8 113.408 12.042 -1.770 905 HA ARG 8 HA ARG 8 113.253 9.728 -3.673 906 HB2 ARG 8 HB2 ARG 8 112.864 9.408 -0.711 907 HB3 ARG 8 HB1 ARG 8 113.582 8.288 -1.870 908 HG2 ARG 8 HG2 ARG 8 115.482 10.025 -2.088 909 HG3 ARG 8 HG1 ARG 8 114.807 10.757 -0.635 910 HD2 ARG 8 HD2 ARG 8 114.993 8.031 0.007 911 HD3 ARG 8 HD1 ARG 8 116.462 8.348 -0.889 912 HE ARG 8 HE ARG 8 116.060 9.059 1.795 913 HH11 ARG 8 HH21 ARG 8 116.849 10.667 -1.158 914 HH12 ARG 8 HH22 ARG 8 117.665 11.975 -0.374 915 HH21 ARG 8 HH11 ARG 8 117.125 10.752 2.822 916 HH22 ARG 8 HH12 ARG 8 117.823 12.023 1.876 917 H VAL 9 HN VAL 9 111.483 10.554 -0.721 918 HA VAL 9 HA VAL 9 109.127 11.509 -1.942 919 HB VAL 9 HB VAL 9 109.375 8.729 -2.336 920 HG11 VAL 9 HG11 VAL 9 108.748 8.401 0.080 921 HG12 VAL 9 HG12 VAL 9 107.614 7.683 -1.058 922 HG13 VAL 9 HG13 VAL 9 107.218 9.203 -0.267 923 HG21 VAL 9 HG21 VAL 9 106.944 10.527 -2.409 924 HG22 VAL 9 HG22 VAL 9 106.984 8.899 -3.087 925 HG23 VAL 9 HG23 VAL 9 108.033 10.154 -3.746 926 H ALA 10 HN ALA 10 107.280 11.449 -0.281 927 HA ALA 10 HA ALA 10 108.453 11.574 2.490 928 HB1 ALA 10 HB1 ALA 10 106.244 13.306 1.355 929 HB2 ALA 10 HB2 ALA 10 107.934 13.800 1.462 930 HB3 ALA 10 HB3 ALA 10 107.016 13.472 2.932 931 H SER 11 HN SER 11 107.365 10.533 4.084 932 HA SER 11 HA SER 11 104.525 9.777 3.697 933 HB2 SER 11 HB2 SER 11 106.792 7.792 3.918 934 HB3 SER 11 HB1 SER 11 105.147 7.376 4.396 935 HG SER 11 HG SER 11 105.549 8.624 1.928 936 H SER 12 HN SER 12 103.452 9.689 5.661 937 HA SER 12 HA SER 12 105.044 9.504 8.166 938 HB2 SER 12 HB2 SER 12 104.280 11.559 9.055 939 HB3 SER 12 HB1 SER 12 104.748 11.954 7.403 940 HG SER 12 HG SER 12 102.621 11.936 6.808 941 H VAL 13 HN VAL 13 104.010 8.176 9.532 942 HA VAL 13 HA VAL 13 101.151 8.254 9.972 943 HB VAL 13 HB VAL 13 101.124 6.991 7.885 944 HG11 VAL 13 HG11 VAL 13 102.384 4.980 7.552 945 HG12 VAL 13 HG12 VAL 13 102.912 4.963 9.235 946 HG13 VAL 13 HG13 VAL 13 103.519 6.199 8.132 947 HG21 VAL 13 HG21 VAL 13 99.805 5.181 8.606 948 HG22 VAL 13 HG22 VAL 13 99.706 6.305 9.960 949 HG23 VAL 13 HG23 VAL 13 100.788 4.914 10.044 950 H PHE 14 HN PHE 14 100.561 6.367 11.540 951 HA PHE 14 HA PHE 14 102.656 4.942 12.862 952 HB2 PHE 14 HB2 PHE 14 102.963 6.202 14.837 953 HB3 PHE 14 HB1 PHE 14 103.292 7.270 13.509 954 HD1 PHE 14 HD2 PHE 14 101.109 8.567 12.592 955 HD2 PHE 14 HD1 PHE 14 101.634 7.044 16.574 956 HE1 PHE 14 HE2 PHE 14 99.426 10.175 13.434 957 HE2 PHE 14 HE1 PHE 14 99.966 8.659 17.414 958 HZ PHE 14 HZ PHE 14 98.852 10.225 15.846 959 H ILE 15 HN ILE 15 101.897 4.695 15.386 960 HA ILE 15 HA ILE 15 98.966 4.235 15.520 961 HB ILE 15 HB ILE 15 100.814 2.032 16.452 962 HG12 ILE 15 HG12 ILE 15 101.425 2.508 14.049 963 HG13 ILE 15 HG11 ILE 15 100.755 0.909 14.320 964 HG21 ILE 15 HG21 ILE 15 98.490 1.860 17.085 965 HG22 ILE 15 HG22 ILE 15 98.809 0.651 15.844 966 HG23 ILE 15 HG23 ILE 15 97.963 2.139 15.425 967 HD11 ILE 15 HD11 ILE 15 98.649 2.847 13.701 968 HD12 ILE 15 HD12 ILE 15 99.019 1.304 12.941 969 HD13 ILE 15 HD13 ILE 15 99.868 2.759 12.432 970 H THR 16 HN THR 16 98.464 3.473 17.904 971 HA THR 16 HA THR 16 100.446 4.531 19.855 972 HB THR 16 HB THR 16 99.181 6.503 19.555 973 HG1 THR 16 HG1 THR 16 99.163 6.204 21.692 974 HG21 THR 16 HG21 THR 16 96.627 6.378 19.558 975 HG22 THR 16 HG22 THR 16 96.813 4.638 19.337 976 HG23 THR 16 HG23 THR 16 97.433 5.754 18.120 977 H LEU 17 HN LEU 17 100.269 3.563 21.896 978 HA LEU 17 HA LEU 17 98.459 1.195 22.015 979 HB2 LEU 17 HB2 LEU 17 100.706 1.918 23.914 980 HB3 LEU 17 HB1 LEU 17 99.927 0.349 23.721 981 HG LEU 17 HG LEU 17 101.696 1.768 21.710 982 HD11 LEU 17 HD11 LEU 17 102.021 -0.993 22.897 983 HD12 LEU 17 HD12 LEU 17 102.674 0.438 23.695 984 HD13 LEU 17 HD13 LEU 17 103.232 -0.003 22.082 985 HD21 LEU 17 HD21 LEU 17 99.880 -0.635 21.443 986 HD22 LEU 17 HD22 LEU 17 101.316 -0.466 20.432 987 HD23 LEU 17 HD23 LEU 17 100.041 0.748 20.360 988 H ALA 18 HN ALA 18 96.865 1.016 23.541 989 HA ALA 18 HA ALA 18 96.733 2.714 25.901 990 HB1 ALA 18 HB1 ALA 18 94.545 3.784 25.171 991 HB2 ALA 18 HB2 ALA 18 94.940 3.269 23.531 992 HB3 ALA 18 HB3 ALA 18 95.992 4.404 24.377 993 HA PRO 19 HA PRO 19 94.522 -1.379 25.904 994 HB2 PRO 19 HB2 PRO 19 95.306 -1.615 28.707 995 HB3 PRO 19 HB1 PRO 19 95.787 -2.634 27.343 996 HG2 PRO 19 HG2 PRO 19 97.435 -0.741 28.709 997 HG3 PRO 19 HG1 PRO 19 97.839 -1.620 27.227 998 HD2 PRO 19 HD2 PRO 19 97.151 1.205 27.531 999 HD3 PRO 19 HD1 PRO 19 97.751 0.369 26.083 1000 HA PRO 20 HA PRO 20 90.813 0.028 27.799 1001 HB2 PRO 20 HB2 PRO 20 90.230 -2.227 29.500 1002 HB3 PRO 20 HB1 PRO 20 89.586 -1.901 27.885 1003 HG2 PRO 20 HG2 PRO 20 91.597 -3.876 28.663 1004 HG3 PRO 20 HG1 PRO 20 90.811 -3.670 27.091 1005 HD2 PRO 20 HD2 PRO 20 93.517 -3.014 27.742 1006 HD3 PRO 20 HD1 PRO 20 92.659 -2.627 26.236 1007 H ARG 21 HN ARG 21 92.519 -1.852 30.344 1008 HA ARG 21 HA ARG 21 92.528 0.598 32.062 1009 HB2 ARG 21 HB2 ARG 21 90.610 -1.049 32.585 1010 HB3 ARG 21 HB1 ARG 21 91.868 -2.142 33.158 1011 HG2 ARG 21 HG2 ARG 21 92.651 -0.446 34.748 1012 HG3 ARG 21 HG1 ARG 21 91.438 0.686 34.165 1013 HD2 ARG 21 HD2 ARG 21 90.978 -1.928 35.606 1014 HD3 ARG 21 HD1 ARG 21 90.566 -0.319 36.181 1015 HE ARG 21 HE ARG 21 88.933 -2.033 34.549 1016 HH11 ARG 21 HH21 ARG 21 89.917 1.270 34.797 1017 HH12 ARG 21 HH22 ARG 21 88.624 1.854 33.805 1018 HH21 ARG 21 HH11 ARG 21 87.248 -1.278 33.280 1019 HH22 ARG 21 HH12 ARG 21 87.114 0.418 32.955 1020 H ARG 22 HN ARG 22 94.126 0.414 33.839 1021 HA ARG 22 HA ARG 22 96.668 -0.455 32.946 1022 HB2 ARG 22 HB2 ARG 22 95.761 -0.098 35.819 1023 HB3 ARG 22 HB1 ARG 22 97.425 -0.057 35.237 1024 HG2 ARG 22 HG2 ARG 22 97.049 1.960 34.010 1025 HG3 ARG 22 HG1 ARG 22 95.301 1.838 34.210 1026 HD2 ARG 22 HD2 ARG 22 96.131 3.495 35.776 1027 HD3 ARG 22 HD1 ARG 22 95.627 2.073 36.689 1028 HE ARG 22 HE ARG 22 98.325 1.640 36.214 1029 HH11 ARG 22 HH21 ARG 22 96.383 4.160 37.545 1030 HH12 ARG 22 HH22 ARG 22 97.610 4.709 38.638 1031 HH21 ARG 22 HH11 ARG 22 99.937 2.343 37.635 1032 HH22 ARG 22 HH12 ARG 22 99.621 3.682 38.688 1033 H ASP 23 HN ASP 23 97.776 -1.938 35.051 1034 HA ASP 23 HA ASP 23 98.240 -4.222 35.413 1035 HB2 ASP 23 HB2 ASP 23 96.528 -5.313 36.735 1036 HB3 ASP 23 HB1 ASP 23 96.554 -3.605 37.169 1037 H VAL 24 HN VAL 24 95.749 -6.111 35.183 1038 HA VAL 24 HA VAL 24 95.494 -6.294 32.238 1039 HB VAL 24 HB VAL 24 96.666 -8.537 33.916 1040 HG11 VAL 24 HG11 VAL 24 95.913 -8.333 30.988 1041 HG12 VAL 24 HG12 VAL 24 95.243 -9.441 32.185 1042 HG13 VAL 24 HG13 VAL 24 96.914 -9.624 31.652 1043 HG21 VAL 24 HG21 VAL 24 97.845 -6.666 31.847 1044 HG22 VAL 24 HG22 VAL 24 98.611 -8.188 32.298 1045 HG23 VAL 24 HG23 VAL 24 98.388 -6.921 33.505 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 120.853 10.352 48.182 2 H2 GLY 1 HT2 GLY 1 120.614 11.366 46.840 3 H3 GLY 1 HT3 GLY 1 122.184 10.880 47.270 4 HA2 GLY 1 HA2 GLY 1 119.935 9.021 46.368 5 HA3 GLY 1 HA1 GLY 1 121.352 9.555 45.420 6 H ILE 2 HN ILE 2 120.928 6.922 45.640 7 HA ILE 2 HA ILE 2 123.710 6.452 45.213 8 HB ILE 2 HB ILE 2 123.703 6.679 47.713 9 HG12 ILE 2 HG12 ILE 2 124.212 3.778 47.042 10 HG13 ILE 2 HG11 ILE 2 125.207 5.047 46.329 11 HG21 ILE 2 HG21 ILE 2 121.297 5.565 47.770 12 HG22 ILE 2 HG22 ILE 2 122.411 5.356 49.119 13 HG23 ILE 2 HG23 ILE 2 122.222 4.072 47.930 14 HD11 ILE 2 HD11 ILE 2 124.733 4.743 49.307 15 HD12 ILE 2 HD12 ILE 2 125.868 5.840 48.519 16 HD13 ILE 2 HD13 ILE 2 126.141 4.098 48.463 17 HA PRO 3 HA PRO 3 120.188 3.495 43.873 18 HB2 PRO 3 HB2 PRO 3 120.745 4.044 41.130 19 HB3 PRO 3 HB1 PRO 3 119.333 4.589 42.042 20 HG2 PRO 3 HG2 PRO 3 121.717 6.140 41.216 21 HG3 PRO 3 HG1 PRO 3 120.116 6.726 41.700 22 HD2 PRO 3 HD2 PRO 3 122.427 6.891 43.286 23 HD3 PRO 3 HD1 PRO 3 120.756 6.998 43.880 24 H GLU 4 HN GLU 4 122.616 3.930 41.380 25 HA GLU 4 HA GLU 4 124.434 2.508 40.764 26 HB2 GLU 4 HB2 GLU 4 124.661 2.425 43.473 27 HB3 GLU 4 HB1 GLU 4 124.124 0.768 43.206 28 HG2 GLU 4 HG2 GLU 4 125.964 0.451 41.571 29 HG3 GLU 4 HG1 GLU 4 126.519 2.094 41.896 30 H PHE 5 HN PHE 5 121.407 1.706 41.898 31 HA PHE 5 HA PHE 5 121.108 -0.920 40.635 32 HB2 PHE 5 HB2 PHE 5 119.595 0.938 42.486 33 HB3 PHE 5 HB1 PHE 5 118.623 -0.148 41.461 34 HD1 PHE 5 HD1 PHE 5 121.974 -0.714 43.032 35 HD2 PHE 5 HD2 PHE 5 117.828 -1.833 42.916 36 HE1 PHE 5 HE1 PHE 5 122.436 -2.588 44.589 37 HE2 PHE 5 HE2 PHE 5 118.291 -3.707 44.473 38 HZ PHE 5 HZ PHE 5 120.594 -4.085 45.309 39 H PHE 6 HN PHE 6 121.753 1.851 39.528 40 HA PHE 6 HA PHE 6 121.151 3.298 37.842 41 HB2 PHE 6 HB2 PHE 6 120.351 2.176 35.754 42 HB3 PHE 6 HB1 PHE 6 121.799 1.445 36.442 43 HD1 PHE 6 HD2 PHE 6 121.698 -0.728 37.605 44 HD2 PHE 6 HD1 PHE 6 118.221 0.980 35.747 45 HE1 PHE 6 HE2 PHE 6 120.548 -2.922 37.734 46 HE2 PHE 6 HE1 PHE 6 117.075 -1.212 35.876 47 HZ PHE 6 HZ PHE 6 118.237 -3.163 36.869 48 H GLN 7 HN GLN 7 118.876 2.936 36.043 49 HA GLN 7 HA GLN 7 116.543 3.318 35.971 50 HB2 GLN 7 HB2 GLN 7 116.605 1.952 38.306 51 HB3 GLN 7 HB1 GLN 7 116.312 3.559 38.968 52 HG2 GLN 7 HG2 GLN 7 114.636 2.226 36.818 53 HG3 GLN 7 HG1 GLN 7 114.193 2.357 38.520 54 HE21 GLN 7 HE21 GLN 7 113.576 3.798 35.608 55 HE22 GLN 7 HE22 GLN 7 113.246 5.379 36.130 56 H PHE 8 HN PHE 8 119.072 4.843 37.420 57 HA PHE 8 HA PHE 8 117.965 7.482 36.821 58 HB2 PHE 8 HB2 PHE 8 117.392 7.216 39.214 59 HB3 PHE 8 HB1 PHE 8 119.078 6.831 39.564 60 HD1 PHE 8 HD1 PHE 8 116.792 9.496 38.342 61 HD2 PHE 8 HD2 PHE 8 120.737 8.544 39.751 62 HE1 PHE 8 HE1 PHE 8 117.310 11.914 38.528 63 HE2 PHE 8 HE2 PHE 8 121.254 10.963 39.938 64 HZ PHE 8 HZ PHE 8 119.540 12.648 39.326 65 H THR 9 HN THR 9 120.612 5.482 37.855 66 HA THR 9 HA THR 9 122.596 7.416 36.768 67 HB THR 9 HB THR 9 123.018 4.702 38.069 68 HG1 THR 9 HG1 THR 9 123.359 5.815 39.935 69 HG21 THR 9 HG21 THR 9 124.848 6.924 37.179 70 HG22 THR 9 HG22 THR 9 124.982 5.191 36.878 71 HG23 THR 9 HG23 THR 9 125.325 5.836 38.482 72 H VAL 10 HN VAL 10 120.478 5.267 35.675 73 HA VAL 10 HA VAL 10 121.692 3.334 34.132 74 HB VAL 10 HB VAL 10 119.235 3.768 34.268 75 HG11 VAL 10 HG11 VAL 10 119.682 5.798 32.077 76 HG12 VAL 10 HG12 VAL 10 119.536 6.261 33.772 77 HG13 VAL 10 HG13 VAL 10 118.196 5.455 32.959 78 HG21 VAL 10 HG21 VAL 10 120.542 3.429 31.560 79 HG22 VAL 10 HG22 VAL 10 118.804 3.264 31.793 80 HG23 VAL 10 HG23 VAL 10 119.913 2.177 32.628 81 H GLY 11 HN GLY 11 121.286 6.748 33.290 82 HA2 GLY 11 HA2 GLY 11 123.432 7.721 32.246 83 HA3 GLY 11 HA1 GLY 11 123.271 6.435 31.059 84 HA PRO 12 HA PRO 12 120.552 9.055 28.721 85 HB2 PRO 12 HB2 PRO 12 118.680 7.169 27.807 86 HB3 PRO 12 HB1 PRO 12 120.258 7.469 27.064 87 HG2 PRO 12 HG2 PRO 12 119.411 5.213 28.815 88 HG3 PRO 12 HG1 PRO 12 120.674 5.254 27.577 89 HD2 PRO 12 HD2 PRO 12 121.146 5.323 30.334 90 HD3 PRO 12 HD1 PRO 12 122.293 5.865 29.091 91 H LEU 13 HN LEU 13 120.065 8.790 31.552 92 HA LEU 13 HA LEU 13 118.391 8.769 33.220 93 HB2 LEU 13 HB2 LEU 13 116.663 10.702 32.551 94 HB3 LEU 13 HB1 LEU 13 118.324 11.069 32.991 95 HG LEU 13 HG LEU 13 117.512 10.591 30.122 96 HD11 LEU 13 HD11 LEU 13 117.454 13.160 31.710 97 HD12 LEU 13 HD12 LEU 13 116.119 12.402 30.842 98 HD13 LEU 13 HD13 LEU 13 117.463 13.109 29.947 99 HD21 LEU 13 HD21 LEU 13 119.694 11.013 29.666 100 HD22 LEU 13 HD22 LEU 13 120.028 10.967 31.393 101 HD23 LEU 13 HD23 LEU 13 119.671 12.500 30.607 102 H GLY 14 HN GLY 14 117.956 6.700 31.348 103 HA2 GLY 14 HA2 GLY 14 116.274 5.115 30.917 104 HA3 GLY 14 HA1 GLY 14 115.184 6.090 31.905 105 H GLU 15 HN GLU 15 115.410 8.513 30.439 106 HA GLU 15 HA GLU 15 114.256 9.571 28.692 107 HB2 GLU 15 HB2 GLU 15 116.267 8.760 27.491 108 HB3 GLU 15 HB1 GLU 15 115.429 7.257 27.126 109 HG2 GLU 15 HG2 GLU 15 113.930 8.293 25.645 110 HG3 GLU 15 HG1 GLU 15 114.181 9.889 26.351 111 H GLY 16 HN GLY 16 113.215 6.845 30.031 112 HA2 GLY 16 HA2 GLY 16 111.206 5.679 30.005 113 HA3 GLY 16 HA1 GLY 16 110.546 7.060 29.135 114 H GLY 17 HN GLY 17 110.605 3.903 28.885 115 HA2 GLY 17 HA2 GLY 17 110.202 2.448 27.102 116 HA3 GLY 17 HA1 GLY 17 110.106 3.854 26.057 117 H ALA 18 HN ALA 18 112.506 4.926 26.092 118 HA ALA 18 HA ALA 18 114.078 3.593 24.272 119 HB1 ALA 18 HB1 ALA 18 115.686 5.216 24.661 120 HB2 ALA 18 HB2 ALA 18 115.583 5.052 26.414 121 HB3 ALA 18 HB3 ALA 18 114.343 5.945 25.541 122 H HIS 19 HN HIS 19 113.677 2.677 27.554 123 HA HIS 19 HA HIS 19 116.194 1.120 27.602 124 HB2 HIS 19 HB2 HIS 19 115.671 2.263 29.638 125 HB3 HIS 19 HB1 HIS 19 114.016 1.657 29.629 126 HD1 HIS 19 HD1 HIS 19 113.841 -1.079 29.852 127 HD2 HIS 19 HD2 HIS 19 117.432 0.664 31.058 128 HE1 HIS 19 HE1 HIS 19 115.024 -2.796 31.290 129 H LYS 20 HN LYS 20 112.672 0.513 27.714 130 HA LYS 20 HA LYS 20 113.153 -2.404 27.592 131 HB2 LYS 20 HB2 LYS 20 110.739 -2.588 27.874 132 HB3 LYS 20 HB1 LYS 20 111.396 -1.465 29.060 133 HG2 LYS 20 HG2 LYS 20 109.755 -0.043 28.325 134 HG3 LYS 20 HG1 LYS 20 110.841 0.253 26.969 135 HD2 LYS 20 HD2 LYS 20 109.684 -1.809 25.877 136 HD3 LYS 20 HD1 LYS 20 108.444 -1.574 27.104 137 HE2 LYS 20 HE2 LYS 20 108.142 0.761 26.343 138 HE3 LYS 20 HE1 LYS 20 109.361 0.505 25.098 139 HZ1 LYS 20 HZ1 LYS 20 106.615 -0.417 25.219 140 HZ2 LYS 20 HZ2 LYS 20 107.739 -1.557 24.649 141 HZ3 LYS 20 HZ3 LYS 20 107.581 -0.053 23.873 142 H VAL 21 HN VAL 21 111.883 0.172 25.495 143 HA VAL 21 HA VAL 21 110.709 -1.326 23.474 144 HB VAL 21 HB VAL 21 110.998 1.212 23.583 145 HG11 VAL 21 HG11 VAL 21 112.925 2.243 22.755 146 HG12 VAL 21 HG12 VAL 21 113.465 0.800 21.903 147 HG13 VAL 21 HG13 VAL 21 113.604 0.892 23.660 148 HG21 VAL 21 HG21 VAL 21 109.953 0.013 21.680 149 HG22 VAL 21 HG22 VAL 21 111.541 -0.169 20.935 150 HG23 VAL 21 HG23 VAL 21 110.842 1.437 21.140 151 H ARG 22 HN ARG 22 111.444 -3.155 22.606 152 HA ARG 22 HA ARG 22 114.335 -3.325 21.792 153 HB2 ARG 22 HB2 ARG 22 113.867 -4.923 23.552 154 HB3 ARG 22 HB1 ARG 22 112.405 -5.466 22.732 155 HG2 ARG 22 HG2 ARG 22 114.375 -7.011 22.436 156 HG3 ARG 22 HG1 ARG 22 113.709 -6.424 20.914 157 HD2 ARG 22 HD2 ARG 22 115.503 -4.943 20.561 158 HD3 ARG 22 HD1 ARG 22 115.976 -4.958 22.261 159 HE ARG 22 HE ARG 22 116.335 -7.583 21.454 160 HH11 ARG 22 HH21 ARG 22 117.324 -4.470 20.354 161 HH12 ARG 22 HH22 ARG 22 118.827 -5.031 19.701 162 HH21 ARG 22 HH11 ARG 22 118.291 -8.335 20.608 163 HH22 ARG 22 HH12 ARG 22 119.374 -7.220 19.843 164 H ALA 23 HN ALA 23 114.612 -3.424 19.624 165 HA ALA 23 HA ALA 23 112.391 -4.518 17.922 166 HB1 ALA 23 HB1 ALA 23 114.203 -2.185 17.230 167 HB2 ALA 23 HB2 ALA 23 112.543 -2.016 17.802 168 HB3 ALA 23 HB3 ALA 23 112.868 -2.807 16.260 169 H GLY 24 HN GLY 24 113.135 -6.334 16.980 170 HA2 GLY 24 HA2 GLY 24 115.820 -6.316 15.714 171 HA3 GLY 24 HA1 GLY 24 115.511 -7.563 16.925 172 H GLY 25 HN GLY 25 115.649 -7.262 13.717 173 HA2 GLY 25 HA2 GLY 25 114.165 -9.637 13.178 174 HA3 GLY 25 HA1 GLY 25 113.181 -8.249 12.726 175 H THR 26 HN THR 26 113.931 -9.960 10.729 176 HA THR 26 HA THR 26 116.398 -9.172 9.457 177 HB THR 26 HB THR 26 115.470 -10.421 7.497 178 HG1 THR 26 HG1 THR 26 113.276 -10.853 9.238 179 HG21 THR 26 HG21 THR 26 115.546 -12.588 8.554 180 HG22 THR 26 HG22 THR 26 115.088 -11.899 10.112 181 HG23 THR 26 HG23 THR 26 116.668 -11.535 9.417 182 H GLY 27 HN GLY 27 113.357 -7.689 9.745 183 HA2 GLY 27 HA2 GLY 27 113.200 -6.400 7.170 184 HA3 GLY 27 HA1 GLY 27 112.396 -5.847 8.642 185 H LEU 28 HN LEU 28 115.198 -6.033 9.899 186 HA LEU 28 HA LEU 28 115.958 -3.238 9.299 187 HB2 LEU 28 HB2 LEU 28 117.098 -5.218 11.298 188 HB3 LEU 28 HB1 LEU 28 117.438 -3.493 11.242 189 HG LEU 28 HG LEU 28 114.623 -4.553 11.557 190 HD11 LEU 28 HD11 LEU 28 114.989 -3.995 14.023 191 HD12 LEU 28 HD12 LEU 28 116.717 -3.999 13.667 192 HD13 LEU 28 HD13 LEU 28 115.766 -5.467 13.440 193 HD21 LEU 28 HD21 LEU 28 115.991 -1.890 12.046 194 HD22 LEU 28 HD22 LEU 28 114.393 -2.267 12.684 195 HD23 LEU 28 HD23 LEU 28 114.659 -2.235 10.943 196 H GLU 29 HN GLU 29 116.754 -6.376 8.325 197 HA GLU 29 HA GLU 29 119.588 -5.875 7.794 198 HB2 GLU 29 HB2 GLU 29 117.755 -8.128 6.929 199 HB3 GLU 29 HB1 GLU 29 119.508 -8.105 6.726 200 HG2 GLU 29 HG2 GLU 29 118.232 -7.714 9.442 201 HG3 GLU 29 HG1 GLU 29 118.579 -9.321 8.811 202 H ARG 30 HN ARG 30 116.798 -6.620 5.640 203 HA ARG 30 HA ARG 30 117.396 -4.446 3.848 204 HB2 ARG 30 HB2 ARG 30 118.193 -5.838 1.922 205 HB3 ARG 30 HB1 ARG 30 119.350 -5.767 3.251 206 HG2 ARG 30 HG2 ARG 30 118.552 -7.942 4.081 207 HG3 ARG 30 HG1 ARG 30 117.369 -8.014 2.775 208 HD2 ARG 30 HD2 ARG 30 119.361 -7.770 1.172 209 HD3 ARG 30 HD1 ARG 30 120.381 -8.124 2.567 210 HE ARG 30 HE ARG 30 118.520 -10.177 2.572 211 HH11 ARG 30 HH21 ARG 30 120.705 -8.784 0.296 212 HH12 ARG 30 HH22 ARG 30 120.968 -10.267 -0.559 213 HH21 ARG 30 HH11 ARG 30 118.852 -12.122 1.466 214 HH22 ARG 30 HH12 ARG 30 119.919 -12.156 0.103 215 H GLY 31 HN GLY 31 116.246 -4.986 1.586 216 HA2 GLY 31 HA2 GLY 31 113.924 -6.789 1.926 217 HA3 GLY 31 HA1 GLY 31 113.576 -5.068 1.727 218 H VAL 32 HN VAL 32 112.544 -6.486 -0.263 219 HA VAL 32 HA VAL 32 114.422 -6.005 -2.542 220 HB VAL 32 HB VAL 32 112.805 -8.478 -1.952 221 HG11 VAL 32 HG11 VAL 32 113.884 -7.515 -4.609 222 HG12 VAL 32 HG12 VAL 32 112.238 -8.014 -4.235 223 HG13 VAL 32 HG13 VAL 32 113.530 -9.211 -4.289 224 HG21 VAL 32 HG21 VAL 32 115.648 -8.241 -2.931 225 HG22 VAL 32 HG22 VAL 32 114.877 -9.615 -2.143 226 HG23 VAL 32 HG23 VAL 32 115.241 -8.160 -1.218 227 H ALA 33 HN ALA 33 113.453 -5.333 -4.452 228 HA ALA 33 HA ALA 33 111.377 -3.557 -4.421 229 HB1 ALA 33 HB1 ALA 33 112.963 -4.690 -6.371 230 HB2 ALA 33 HB2 ALA 33 111.741 -3.459 -6.673 231 HB3 ALA 33 HB3 ALA 33 111.356 -5.164 -6.904 232 H GLY 34 HN GLY 34 109.349 -3.768 -3.712 233 HA2 GLY 34 HA2 GLY 34 107.165 -4.544 -3.461 234 HA3 GLY 34 HA1 GLY 34 107.400 -5.340 -5.011 235 H VAL 35 HN VAL 35 108.966 -5.926 -1.850 236 HA VAL 35 HA VAL 35 107.819 -8.682 -1.915 237 HB VAL 35 HB VAL 35 110.647 -7.786 -1.405 238 HG11 VAL 35 HG11 VAL 35 110.217 -9.143 0.527 239 HG12 VAL 35 HG12 VAL 35 111.046 -10.182 -0.630 240 HG13 VAL 35 HG13 VAL 35 109.302 -10.314 -0.421 241 HG21 VAL 35 HG21 VAL 35 111.110 -9.690 -2.947 242 HG22 VAL 35 HG22 VAL 35 110.033 -8.500 -3.675 243 HG23 VAL 35 HG23 VAL 35 109.380 -10.009 -3.041 244 HA PRO 36 HA PRO 36 106.267 -7.155 2.025 245 HB2 PRO 36 HB2 PRO 36 105.916 -9.874 3.028 246 HB3 PRO 36 HB1 PRO 36 104.673 -8.710 2.545 247 HG2 PRO 36 HG2 PRO 36 105.519 -11.056 1.101 248 HG3 PRO 36 HG1 PRO 36 104.322 -9.855 0.593 249 HD2 PRO 36 HD2 PRO 36 106.976 -10.255 -0.477 250 HD3 PRO 36 HD1 PRO 36 105.778 -9.039 -0.969 251 H ALA 37 HN ALA 37 107.658 -6.421 3.538 252 HA ALA 37 HA ALA 37 109.800 -8.265 4.583 253 HB1 ALA 37 HB1 ALA 37 110.810 -6.462 3.282 254 HB2 ALA 37 HB2 ALA 37 111.118 -6.173 4.994 255 HB3 ALA 37 HB3 ALA 37 109.864 -5.258 4.157 256 H GLU 38 HN GLU 38 110.196 -8.081 6.896 257 HA GLU 38 HA GLU 38 108.525 -6.250 8.455 258 HB2 GLU 38 HB2 GLU 38 107.110 -7.846 9.506 259 HB3 GLU 38 HB1 GLU 38 107.028 -8.235 7.788 260 HG2 GLU 38 HG2 GLU 38 108.989 -9.878 8.311 261 HG3 GLU 38 HG1 GLU 38 108.494 -9.681 9.998 262 H PHE 39 HN PHE 39 108.786 -6.589 10.788 263 HA PHE 39 HA PHE 39 111.191 -8.123 11.576 264 HB2 PHE 39 HB2 PHE 39 111.822 -6.067 13.044 265 HB3 PHE 39 HB1 PHE 39 112.267 -6.037 11.341 266 HD1 PHE 39 HD2 PHE 39 110.514 -4.991 9.718 267 HD2 PHE 39 HD1 PHE 39 110.603 -4.265 13.941 268 HE1 PHE 39 HE2 PHE 39 109.240 -2.889 9.379 269 HE2 PHE 39 HE1 PHE 39 109.329 -2.164 13.607 270 HZ PHE 39 HZ PHE 39 108.647 -1.476 11.325 271 H SER 40 HN SER 40 111.285 -7.686 14.162 272 HA SER 40 HA SER 40 108.472 -7.965 15.176 273 HB2 SER 40 HB2 SER 40 110.858 -9.570 16.126 274 HB3 SER 40 HB1 SER 40 109.176 -9.777 16.606 275 HG SER 40 HG SER 40 108.857 -10.894 14.857 276 H ILE 41 HN ILE 41 108.035 -6.813 16.981 277 HA ILE 41 HA ILE 41 110.306 -5.575 18.508 278 HB ILE 41 HB ILE 41 107.645 -4.380 17.663 279 HG12 ILE 41 HG12 ILE 41 110.467 -3.328 17.323 280 HG13 ILE 41 HG11 ILE 41 109.651 -4.303 16.102 281 HG21 ILE 41 HG21 ILE 41 109.644 -3.485 19.754 282 HG22 ILE 41 HG22 ILE 41 107.905 -3.712 19.941 283 HG23 ILE 41 HG23 ILE 41 108.520 -2.361 18.988 284 HD11 ILE 41 HD11 ILE 41 109.507 -1.718 15.895 285 HD12 ILE 41 HD12 ILE 41 108.346 -1.820 17.217 286 HD13 ILE 41 HD13 ILE 41 108.023 -2.647 15.693 287 H TRP 42 HN TRP 42 109.982 -5.575 20.801 288 HA TRP 42 HA TRP 42 107.401 -6.525 21.848 289 HB2 TRP 42 HB2 TRP 42 108.091 -8.601 22.684 290 HB3 TRP 42 HB1 TRP 42 108.879 -8.551 21.111 291 HD1 TRP 42 HD1 TRP 42 111.527 -8.041 21.076 292 HE1 TRP 42 HE1 TRP 42 113.338 -8.414 22.874 293 HE3 TRP 42 HE3 TRP 42 108.573 -8.608 25.200 294 HZ2 TRP 42 HZ2 TRP 42 113.510 -8.888 25.690 295 HZ3 TRP 42 HZ3 TRP 42 109.583 -9.019 27.425 296 HH2 TRP 42 HH2 TRP 42 112.046 -9.160 27.675 297 H THR 43 HN THR 43 107.857 -7.042 24.356 298 HA THR 43 HA THR 43 108.627 -6.269 26.441 299 HB THR 43 HB THR 43 110.358 -4.133 25.230 300 HG1 THR 43 HG1 THR 43 111.763 -6.346 25.282 301 HG21 THR 43 HG21 THR 43 111.733 -4.557 27.085 302 HG22 THR 43 HG22 THR 43 111.126 -6.201 27.280 303 HG23 THR 43 HG23 THR 43 110.118 -4.829 27.739 304 H ARG 44 HN ARG 44 106.917 -5.244 27.315 305 HA ARG 44 HA ARG 44 106.363 -2.410 26.503 306 HB2 ARG 44 HB2 ARG 44 103.906 -3.018 27.011 307 HB3 ARG 44 HB1 ARG 44 104.577 -3.600 25.487 308 HG2 ARG 44 HG2 ARG 44 105.016 -5.789 26.464 309 HG3 ARG 44 HG1 ARG 44 104.469 -5.228 28.043 310 HD2 ARG 44 HD2 ARG 44 102.296 -4.614 26.430 311 HD3 ARG 44 HD1 ARG 44 102.870 -6.117 25.714 312 HE ARG 44 HE ARG 44 101.346 -5.965 28.062 313 HH11 ARG 44 HH21 ARG 44 104.416 -7.243 27.121 314 HH12 ARG 44 HH22 ARG 44 104.467 -8.398 28.405 315 HH21 ARG 44 HH11 ARG 44 101.403 -7.474 29.723 316 HH22 ARG 44 HH12 ARG 44 102.765 -8.535 29.870 317 H GLU 45 HN GLU 45 107.977 -2.712 28.589 318 HA GLU 45 HA GLU 45 106.413 -2.992 31.085 319 HB2 GLU 45 HB2 GLU 45 108.804 -3.869 30.738 320 HB3 GLU 45 HB1 GLU 45 109.317 -2.185 30.852 321 HG2 GLU 45 HG2 GLU 45 108.177 -2.020 33.062 322 HG3 GLU 45 HG1 GLU 45 107.774 -3.734 32.955 323 H ALA 46 HN ALA 46 107.395 -0.490 28.938 324 HA ALA 46 HA ALA 46 107.638 1.664 30.828 325 HB1 ALA 46 HB1 ALA 46 106.737 1.736 27.933 326 HB2 ALA 46 HB2 ALA 46 108.406 1.859 28.486 327 HB3 ALA 46 HB3 ALA 46 107.250 3.131 28.880 328 H GLY 47 HN GLY 47 104.949 1.070 28.554 329 HA2 GLY 47 HA2 GLY 47 102.706 0.730 29.864 330 HA3 GLY 47 HA1 GLY 47 103.088 2.313 30.539 331 H ALA 48 HN ALA 48 101.010 2.950 29.505 332 HA ALA 48 HA ALA 48 100.486 2.882 26.739 333 HB1 ALA 48 HB1 ALA 48 99.842 5.245 28.518 334 HB2 ALA 48 HB2 ALA 48 98.954 3.724 28.601 335 HB3 ALA 48 HB3 ALA 48 98.941 4.672 27.114 336 H GLY 49 HN GLY 49 101.001 4.316 25.027 337 HA2 GLY 49 HA2 GLY 49 102.556 6.709 25.379 338 HA3 GLY 49 HA1 GLY 49 103.607 5.367 24.924 339 H GLY 50 HN GLY 50 103.871 6.885 22.974 340 HA2 GLY 50 HA2 GLY 50 101.896 6.067 20.878 341 HA3 GLY 50 HA1 GLY 50 102.369 7.763 21.017 342 H LEU 51 HN LEU 51 103.098 4.880 19.477 343 HA LEU 51 HA LEU 51 105.984 5.504 19.139 344 HB2 LEU 51 HB2 LEU 51 105.158 3.130 19.473 345 HB3 LEU 51 HB1 LEU 51 104.365 3.260 17.905 346 HG LEU 51 HG LEU 51 106.762 3.996 17.062 347 HD11 LEU 51 HD11 LEU 51 108.558 2.801 18.331 348 HD12 LEU 51 HD12 LEU 51 107.391 2.467 19.608 349 HD13 LEU 51 HD13 LEU 51 107.847 4.130 19.243 350 HD21 LEU 51 HD21 LEU 51 107.293 1.654 16.569 351 HD22 LEU 51 HD22 LEU 51 105.557 1.916 16.406 352 HD23 LEU 51 HD23 LEU 51 106.197 1.116 17.841 353 H SER 52 HN SER 52 106.027 7.339 17.823 354 HA SER 52 HA SER 52 104.356 7.497 15.416 355 HB2 SER 52 HB2 SER 52 106.653 9.313 16.114 356 HB3 SER 52 HB1 SER 52 105.238 9.678 15.135 357 HG SER 52 HG SER 52 105.407 9.259 17.933 358 H ILE 53 HN ILE 53 105.146 7.157 13.252 359 HA ILE 53 HA ILE 53 108.021 6.351 13.044 360 HB ILE 53 HB ILE 53 105.711 4.924 11.703 361 HG12 ILE 53 HG12 ILE 53 107.472 3.896 13.944 362 HG13 ILE 53 HG11 ILE 53 105.881 4.599 14.223 363 HG21 ILE 53 HG21 ILE 53 107.624 4.689 10.342 364 HG22 ILE 53 HG22 ILE 53 107.615 3.224 11.320 365 HG23 ILE 53 HG23 ILE 53 108.705 4.549 11.725 366 HD11 ILE 53 HD11 ILE 53 104.927 2.912 12.624 367 HD12 ILE 53 HD12 ILE 53 105.620 2.198 14.079 368 HD13 ILE 53 HD13 ILE 53 106.515 2.147 12.561 369 H ALA 54 HN ALA 54 108.996 7.539 11.505 370 HA ALA 54 HA ALA 54 107.346 8.674 9.264 371 HB1 ALA 54 HB1 ALA 54 108.310 10.378 10.822 372 HB2 ALA 54 HB2 ALA 54 108.952 10.515 9.186 373 HB3 ALA 54 HB3 ALA 54 109.920 9.761 10.452 374 H VAL 55 HN VAL 55 107.748 7.436 7.483 375 HA VAL 55 HA VAL 55 110.478 6.283 7.126 376 HB VAL 55 HB VAL 55 108.220 5.577 5.279 377 HG11 VAL 55 HG11 VAL 55 109.311 3.471 5.201 378 HG12 VAL 55 HG12 VAL 55 110.196 3.780 6.696 379 HG13 VAL 55 HG13 VAL 55 110.617 4.656 5.225 380 HG21 VAL 55 HG21 VAL 55 107.417 3.889 6.943 381 HG22 VAL 55 HG22 VAL 55 107.100 5.547 7.451 382 HG23 VAL 55 HG23 VAL 55 108.441 4.647 8.160 383 H GLU 56 HN GLU 56 111.619 6.592 5.169 384 HA GLU 56 HA GLU 56 110.470 8.490 3.200 385 HB2 GLU 56 HB2 GLU 56 111.787 9.863 4.795 386 HB3 GLU 56 HB1 GLU 56 113.197 8.866 4.468 387 HG2 GLU 56 HG2 GLU 56 113.398 10.794 3.065 388 HG3 GLU 56 HG1 GLU 56 112.917 9.478 2.005 389 H GLY 57 HN GLY 57 111.069 8.015 1.153 390 HA2 GLY 57 HA2 GLY 57 113.408 6.700 0.295 391 HA3 GLY 57 HA1 GLY 57 112.209 5.441 0.601 392 HA PRO 58 HA PRO 58 111.659 7.293 -3.691 393 HB2 PRO 58 HB2 PRO 58 111.599 4.582 -4.734 394 HB3 PRO 58 HB1 PRO 58 112.762 5.871 -5.033 395 HG2 PRO 58 HG2 PRO 58 113.174 3.496 -3.463 396 HG3 PRO 58 HG1 PRO 58 114.325 4.814 -3.728 397 HD2 PRO 58 HD2 PRO 58 112.800 4.220 -1.314 398 HD3 PRO 58 HD1 PRO 58 114.040 5.469 -1.553 399 H SER 59 HN SER 59 110.172 4.924 -1.707 400 HA SER 59 HA SER 59 107.528 5.670 -2.836 401 HB2 SER 59 HB2 SER 59 106.941 3.607 -3.657 402 HB3 SER 59 HB1 SER 59 108.685 3.423 -3.827 403 HG SER 59 HG SER 59 108.632 2.530 -1.659 404 H LYS 60 HN LYS 60 105.729 4.767 -1.482 405 HA LYS 60 HA LYS 60 106.461 4.996 1.372 406 HB2 LYS 60 HB2 LYS 60 103.652 4.604 0.345 407 HB3 LYS 60 HB1 LYS 60 104.204 5.507 1.757 408 HG2 LYS 60 HG2 LYS 60 105.303 7.147 0.211 409 HG3 LYS 60 HG1 LYS 60 104.582 6.283 -1.148 410 HD2 LYS 60 HD2 LYS 60 102.325 6.672 -0.128 411 HD3 LYS 60 HD1 LYS 60 103.100 7.666 1.106 412 HE2 LYS 60 HE2 LYS 60 103.802 9.286 -0.488 413 HE3 LYS 60 HE1 LYS 60 103.465 8.211 -1.844 414 HZ1 LYS 60 HZ1 LYS 60 101.782 10.040 -1.279 415 HZ2 LYS 60 HZ2 LYS 60 101.312 9.024 -0.002 416 HZ3 LYS 60 HZ3 LYS 60 101.198 8.483 -1.609 417 H ALA 61 HN ALA 61 106.687 3.226 2.643 418 HA ALA 61 HA ALA 61 106.081 0.568 1.555 419 HB1 ALA 61 HB1 ALA 61 108.102 1.213 3.032 420 HB2 ALA 61 HB2 ALA 61 107.264 -0.290 3.417 421 HB3 ALA 61 HB3 ALA 61 106.969 1.157 4.383 422 H GLU 62 HN GLU 62 104.436 -0.813 2.291 423 HA GLU 62 HA GLU 62 102.195 0.517 3.672 424 HB2 GLU 62 HB2 GLU 62 101.915 -1.001 1.654 425 HB3 GLU 62 HB1 GLU 62 102.344 -2.348 2.708 426 HG2 GLU 62 HG2 GLU 62 99.946 -2.224 2.699 427 HG3 GLU 62 HG1 GLU 62 100.480 -1.590 4.256 428 H ILE 63 HN ILE 63 102.991 0.713 5.817 429 HA ILE 63 HA ILE 63 104.195 -1.345 7.362 430 HB ILE 63 HB ILE 63 102.290 0.668 8.571 431 HG12 ILE 63 HG12 ILE 63 103.495 1.989 6.959 432 HG13 ILE 63 HG11 ILE 63 104.232 2.282 8.529 433 HG21 ILE 63 HG21 ILE 63 104.970 -0.485 9.399 434 HG22 ILE 63 HG22 ILE 63 103.397 -0.877 10.094 435 HG23 ILE 63 HG23 ILE 63 104.078 0.735 10.307 436 HD11 ILE 63 HD11 ILE 63 105.280 0.616 6.250 437 HD12 ILE 63 HD12 ILE 63 105.872 0.389 7.896 438 HD13 ILE 63 HD13 ILE 63 106.069 1.948 7.094 439 H ALA 64 HN ALA 64 103.183 -2.762 9.016 440 HA ALA 64 HA ALA 64 100.252 -3.070 8.828 441 HB1 ALA 64 HB1 ALA 64 101.932 -4.647 7.212 442 HB2 ALA 64 HB2 ALA 64 100.234 -4.961 7.559 443 HB3 ALA 64 HB3 ALA 64 101.487 -5.709 8.548 444 H PHE 65 HN PHE 65 99.680 -3.096 10.944 445 HA PHE 65 HA PHE 65 101.556 -4.153 12.976 446 HB2 PHE 65 HB2 PHE 65 99.699 -3.381 14.555 447 HB3 PHE 65 HB1 PHE 65 100.475 -2.112 13.607 448 HD1 PHE 65 HD1 PHE 65 99.332 -1.112 11.660 449 HD2 PHE 65 HD2 PHE 65 97.405 -4.043 14.138 450 HE1 PHE 65 HE1 PHE 65 97.139 -0.498 10.679 451 HE2 PHE 65 HE2 PHE 65 95.211 -3.429 13.157 452 HZ PHE 65 HZ PHE 65 95.078 -1.656 11.428 453 H GLU 66 HN GLU 66 101.464 -6.287 13.495 454 HA GLU 66 HA GLU 66 98.800 -7.632 13.600 455 HB2 GLU 66 HB2 GLU 66 99.715 -8.202 11.405 456 HB3 GLU 66 HB1 GLU 66 101.241 -8.691 12.143 457 HG2 GLU 66 HG2 GLU 66 100.214 -10.543 13.264 458 HG3 GLU 66 HG1 GLU 66 98.594 -9.960 12.876 459 H ASP 67 HN ASP 67 98.745 -8.094 15.757 460 HA ASP 67 HA ASP 67 101.161 -8.855 17.224 461 HB2 ASP 67 HB2 ASP 67 99.595 -9.140 19.133 462 HB3 ASP 67 HB1 ASP 67 99.390 -7.572 18.350 463 H ARG 68 HN ARG 68 101.897 -10.921 17.413 464 HA ARG 68 HA ARG 68 100.086 -13.160 16.563 465 HB2 ARG 68 HB2 ARG 68 103.115 -13.008 16.592 466 HB3 ARG 68 HB1 ARG 68 102.161 -14.391 16.052 467 HG2 ARG 68 HG2 ARG 68 101.218 -13.139 14.232 468 HG3 ARG 68 HG1 ARG 68 101.874 -11.626 14.855 469 HD2 ARG 68 HD2 ARG 68 103.529 -13.972 13.880 470 HD3 ARG 68 HD1 ARG 68 103.223 -12.495 12.968 471 HE ARG 68 HE ARG 68 104.301 -11.601 15.367 472 HH11 ARG 68 HH21 ARG 68 105.163 -13.841 12.896 473 HH12 ARG 68 HH22 ARG 68 106.868 -13.623 13.106 474 HH21 ARG 68 HH11 ARG 68 106.524 -11.301 15.659 475 HH22 ARG 68 HH12 ARG 68 107.639 -12.183 14.669 476 H LYS 69 HN LYS 69 102.341 -12.049 19.028 477 HA LYS 69 HA LYS 69 101.538 -14.363 20.769 478 HB2 LYS 69 HB2 LYS 69 104.029 -12.679 21.131 479 HB3 LYS 69 HB1 LYS 69 103.667 -14.264 21.819 480 HG2 LYS 69 HG2 LYS 69 104.098 -13.702 18.868 481 HG3 LYS 69 HG1 LYS 69 105.280 -14.436 19.948 482 HD2 LYS 69 HD2 LYS 69 103.496 -16.205 20.457 483 HD3 LYS 69 HD1 LYS 69 102.619 -15.565 19.067 484 HE2 LYS 69 HE2 LYS 69 103.937 -17.370 18.223 485 HE3 LYS 69 HE1 LYS 69 104.768 -15.895 17.728 486 HZ1 LYS 69 HZ1 LYS 69 106.441 -17.207 18.618 487 HZ2 LYS 69 HZ2 LYS 69 105.472 -17.771 19.895 488 HZ3 LYS 69 HZ3 LYS 69 106.048 -16.172 19.903 489 H ASP 70 HN ASP 70 100.886 -11.216 20.201 490 HA ASP 70 HA ASP 70 99.781 -9.613 21.517 491 HB2 ASP 70 HB2 ASP 70 99.125 -11.888 22.793 492 HB3 ASP 70 HB1 ASP 70 100.161 -11.206 24.037 493 H GLY 71 HN GLY 71 102.676 -11.176 22.767 494 HA2 GLY 71 HA2 GLY 71 103.505 -8.711 24.181 495 HA3 GLY 71 HA1 GLY 71 104.324 -10.268 24.243 496 H SER 72 HN SER 72 104.359 -10.685 21.376 497 HA SER 72 HA SER 72 106.595 -8.842 20.704 498 HB2 SER 72 HB2 SER 72 105.642 -11.422 19.429 499 HB3 SER 72 HB1 SER 72 107.011 -10.474 18.855 500 HG SER 72 HG SER 72 108.012 -11.743 20.240 501 H CYS 73 HN CYS 73 105.848 -6.997 19.738 502 HA CYS 73 HA CYS 73 103.456 -7.037 18.042 503 HB2 CYS 73 HB2 CYS 73 105.454 -4.783 18.369 504 HB3 CYS 73 HB1 CYS 73 103.776 -4.661 17.841 505 HG CYS 73 HG CYS 73 103.763 -4.083 20.369 506 H GLY 74 HN GLY 74 103.533 -7.642 15.947 507 HA2 GLY 74 HA2 GLY 74 106.138 -7.633 14.511 508 HA3 GLY 74 HA1 GLY 74 104.695 -8.525 14.025 509 H VAL 75 HN VAL 75 106.548 -6.020 13.124 510 HA VAL 75 HA VAL 75 104.247 -4.422 11.996 511 HB VAL 75 HB VAL 75 107.114 -3.552 12.440 512 HG11 VAL 75 HG11 VAL 75 104.604 -1.991 11.763 513 HG12 VAL 75 HG12 VAL 75 105.895 -2.375 10.625 514 HG13 VAL 75 HG13 VAL 75 106.214 -1.309 11.993 515 HG21 VAL 75 HG21 VAL 75 104.604 -3.110 14.075 516 HG22 VAL 75 HG22 VAL 75 106.075 -2.159 14.277 517 HG23 VAL 75 HG23 VAL 75 106.094 -3.893 14.599 518 H SER 76 HN SER 76 103.932 -5.382 10.016 519 HA SER 76 HA SER 76 106.275 -6.058 8.343 520 HB2 SER 76 HB2 SER 76 104.138 -7.526 8.655 521 HB3 SER 76 HB1 SER 76 103.419 -6.427 7.485 522 HG SER 76 HG SER 76 104.585 -8.399 6.707 523 H TYR 77 HN TYR 77 106.959 -4.828 6.723 524 HA TYR 77 HA TYR 77 105.188 -2.639 5.700 525 HB2 TYR 77 HB2 TYR 77 107.100 -1.164 5.584 526 HB3 TYR 77 HB1 TYR 77 107.032 -1.814 7.220 527 HD1 TYR 77 HD2 TYR 77 108.369 -4.086 7.580 528 HD2 TYR 77 HD1 TYR 77 109.139 -1.264 4.434 529 HE1 TYR 77 HE2 TYR 77 110.657 -4.997 7.324 530 HE2 TYR 77 HE1 TYR 77 111.431 -2.175 4.183 531 HH TYR 77 HH TYR 77 112.955 -3.566 5.011 532 H VAL 78 HN VAL 78 104.970 -2.709 3.499 533 HA VAL 78 HA VAL 78 106.665 -4.655 1.998 534 HB VAL 78 HB VAL 78 104.167 -3.254 1.039 535 HG11 VAL 78 HG11 VAL 78 105.507 -4.299 -0.707 536 HG12 VAL 78 HG12 VAL 78 104.059 -5.269 -0.436 537 HG13 VAL 78 HG13 VAL 78 105.608 -5.793 0.226 538 HG21 VAL 78 HG21 VAL 78 103.075 -5.495 1.675 539 HG22 VAL 78 HG22 VAL 78 103.443 -4.393 3.001 540 HG23 VAL 78 HG23 VAL 78 104.497 -5.770 2.682 541 H VAL 79 HN VAL 79 108.424 -3.695 1.103 542 HA VAL 79 HA VAL 79 108.432 -0.862 0.436 543 HB VAL 79 HB VAL 79 110.717 -1.444 -0.541 544 HG11 VAL 79 HG11 VAL 79 110.842 -0.631 1.656 545 HG12 VAL 79 HG12 VAL 79 111.554 -2.231 1.854 546 HG13 VAL 79 HG13 VAL 79 109.879 -1.952 2.317 547 HG21 VAL 79 HG21 VAL 79 111.575 -3.666 -0.210 548 HG22 VAL 79 HG22 VAL 79 110.008 -3.852 -0.997 549 HG23 VAL 79 HG23 VAL 79 110.164 -4.142 0.736 550 H GLN 80 HN GLN 80 108.820 -0.054 -1.790 551 HA GLN 80 HA GLN 80 107.379 -1.727 -3.797 552 HB2 GLN 80 HB2 GLN 80 106.695 0.697 -3.178 553 HB3 GLN 80 HB1 GLN 80 108.100 1.182 -4.126 554 HG2 GLN 80 HG2 GLN 80 107.161 -0.272 -6.007 555 HG3 GLN 80 HG1 GLN 80 105.672 -0.352 -5.064 556 HE21 GLN 80 HE21 GLN 80 104.236 1.391 -5.281 557 HE22 GLN 80 HE22 GLN 80 104.618 2.861 -6.039 558 H GLU 81 HN GLU 81 110.314 0.355 -3.543 559 HA GLU 81 HA GLU 81 111.611 -1.432 -5.499 560 HB2 GLU 81 HB2 GLU 81 111.174 1.522 -5.949 561 HB3 GLU 81 HB1 GLU 81 112.377 0.600 -6.840 562 HG2 GLU 81 HG2 GLU 81 109.399 0.017 -6.795 563 HG3 GLU 81 HG1 GLU 81 110.271 0.795 -8.108 564 HA PRO 82 HA PRO 82 115.379 -1.048 -3.236 565 HB2 PRO 82 HB2 PRO 82 116.568 -0.045 -5.778 566 HB3 PRO 82 HB1 PRO 82 117.150 -1.306 -4.678 567 HG2 PRO 82 HG2 PRO 82 115.843 -1.877 -7.025 568 HG3 PRO 82 HG1 PRO 82 115.810 -2.917 -5.607 569 HD2 PRO 82 HD2 PRO 82 113.600 -1.357 -6.717 570 HD3 PRO 82 HD1 PRO 82 113.564 -2.616 -5.479 571 H GLY 83 HN GLY 83 117.002 0.492 -2.594 572 HA2 GLY 83 HA2 GLY 83 117.586 3.033 -3.065 573 HA3 GLY 83 HA1 GLY 83 115.911 3.269 -2.557 574 H ASP 84 HN ASP 84 117.449 4.557 -0.938 575 HA ASP 84 HA ASP 84 118.278 2.803 1.323 576 HB2 ASP 84 HB2 ASP 84 118.689 5.775 0.846 577 HB3 ASP 84 HB1 ASP 84 119.302 4.874 2.232 578 H TYR 85 HN TYR 85 116.169 2.287 2.062 579 HA TYR 85 HA TYR 85 114.215 4.358 2.597 580 HB2 TYR 85 HB2 TYR 85 114.440 1.420 2.846 581 HB3 TYR 85 HB1 TYR 85 113.411 2.156 4.077 582 HD1 TYR 85 HD2 TYR 85 111.369 3.363 3.432 583 HD2 TYR 85 HD1 TYR 85 113.863 1.464 0.500 584 HE1 TYR 85 HE2 TYR 85 109.555 3.569 1.759 585 HE2 TYR 85 HE1 TYR 85 112.052 1.668 -1.177 586 HH TYR 85 HH TYR 85 109.753 3.612 -1.165 587 H GLU 86 HN GLU 86 113.962 5.502 4.435 588 HA GLU 86 HA GLU 86 115.773 4.873 6.753 589 HB2 GLU 86 HB2 GLU 86 114.895 7.638 6.814 590 HB3 GLU 86 HB1 GLU 86 116.535 7.027 6.643 591 HG2 GLU 86 HG2 GLU 86 114.676 7.148 4.257 592 HG3 GLU 86 HG1 GLU 86 115.588 8.559 4.766 593 H VAL 87 HN VAL 87 114.688 4.356 8.584 594 HA VAL 87 HA VAL 87 111.841 5.276 8.880 595 HB VAL 87 HB VAL 87 112.236 2.796 8.395 596 HG11 VAL 87 HG11 VAL 87 113.103 2.708 11.283 597 HG12 VAL 87 HG12 VAL 87 114.266 2.736 9.957 598 HG13 VAL 87 HG13 VAL 87 113.122 1.401 10.099 599 HG21 VAL 87 HG21 VAL 87 110.121 3.447 9.290 600 HG22 VAL 87 HG22 VAL 87 110.817 3.784 10.875 601 HG23 VAL 87 HG23 VAL 87 110.671 2.119 10.313 602 H SER 88 HN SER 88 111.333 6.218 10.834 603 HA SER 88 HA SER 88 113.383 6.108 13.022 604 HB2 SER 88 HB2 SER 88 113.060 8.489 13.433 605 HB3 SER 88 HB1 SER 88 113.553 8.255 11.759 606 HG SER 88 HG SER 88 110.831 8.311 12.503 607 H ILE 89 HN ILE 89 112.411 5.123 14.688 608 HA ILE 89 HA ILE 89 109.511 5.673 15.202 609 HB ILE 89 HB ILE 89 109.315 3.511 16.116 610 HG12 ILE 89 HG12 ILE 89 112.339 3.565 16.294 611 HG13 ILE 89 HG11 ILE 89 111.189 3.414 17.617 612 HG21 ILE 89 HG21 ILE 89 111.391 3.090 13.961 613 HG22 ILE 89 HG22 ILE 89 109.765 3.663 13.601 614 HG23 ILE 89 HG23 ILE 89 109.996 2.079 14.337 615 HD11 ILE 89 HD11 ILE 89 110.433 1.225 16.533 616 HD12 ILE 89 HD12 ILE 89 112.038 1.214 17.262 617 HD13 ILE 89 HD13 ILE 89 111.866 1.349 15.513 618 H LYS 90 HN LYS 90 108.899 6.354 17.270 619 HA LYS 90 HA LYS 90 110.977 6.587 19.351 620 HB2 LYS 90 HB2 LYS 90 110.263 8.886 19.844 621 HB3 LYS 90 HB1 LYS 90 110.965 8.770 18.246 622 HG2 LYS 90 HG2 LYS 90 108.231 8.272 17.803 623 HG3 LYS 90 HG1 LYS 90 108.224 9.533 19.035 624 HD2 LYS 90 HD2 LYS 90 108.273 10.715 16.977 625 HD3 LYS 90 HD1 LYS 90 109.940 10.752 17.544 626 HE2 LYS 90 HE2 LYS 90 109.917 8.389 16.134 627 HE3 LYS 90 HE1 LYS 90 108.808 9.375 15.180 628 HZ1 LYS 90 HZ1 LYS 90 111.587 9.503 15.243 629 HZ2 LYS 90 HZ2 LYS 90 111.013 10.943 15.938 630 HZ3 LYS 90 HZ3 LYS 90 110.518 10.495 14.376 631 H PHE 91 HN PHE 91 110.156 5.748 21.237 632 HA PHE 91 HA PHE 91 107.265 5.227 21.393 633 HB2 PHE 91 HB2 PHE 91 109.141 3.741 22.371 634 HB3 PHE 91 HB1 PHE 91 109.236 4.928 23.673 635 HD1 PHE 91 HD1 PHE 91 106.635 2.999 21.766 636 HD2 PHE 91 HD2 PHE 91 107.892 4.566 25.566 637 HE1 PHE 91 HE1 PHE 91 104.668 1.951 22.850 638 HE2 PHE 91 HE2 PHE 91 105.919 3.513 26.649 639 HZ PHE 91 HZ PHE 91 104.311 2.208 25.289 640 H ASN 92 HN ASN 92 106.290 7.277 21.444 641 HA ASN 92 HA ASN 92 105.450 9.191 22.489 642 HB2 ASN 92 HB2 ASN 92 105.546 7.484 24.513 643 HB3 ASN 92 HB1 ASN 92 106.898 8.483 25.041 644 HD21 ASN 92 HD21 ASN 92 103.514 8.217 25.157 645 HD22 ASN 92 HD22 ASN 92 103.159 9.804 25.643 646 H ASP 93 HN ASP 93 107.893 9.211 21.041 647 HA ASP 93 HA ASP 93 109.368 10.961 20.487 648 HB2 ASP 93 HB2 ASP 93 109.358 12.025 23.303 649 HB3 ASP 93 HB1 ASP 93 109.698 12.858 21.791 650 H GLU 94 HN GLU 94 109.854 8.327 22.244 651 HA GLU 94 HA GLU 94 112.568 9.003 23.211 652 HB2 GLU 94 HB2 GLU 94 112.028 7.329 24.670 653 HB3 GLU 94 HB1 GLU 94 110.587 6.954 23.756 654 HG2 GLU 94 HG2 GLU 94 112.119 5.025 24.038 655 HG3 GLU 94 HG1 GLU 94 111.798 5.385 22.368 656 H HIS 95 HN HIS 95 113.474 9.625 21.199 657 HA HIS 95 HA HIS 95 113.295 8.022 18.828 658 HB2 HIS 95 HB2 HIS 95 114.029 10.539 19.235 659 HB3 HIS 95 HB1 HIS 95 115.643 9.846 19.344 660 HD1 HIS 95 HD1 HIS 95 116.787 9.967 17.142 661 HD2 HIS 95 HD2 HIS 95 112.701 9.274 16.693 662 HE1 HIS 95 HE1 HIS 95 116.357 9.803 14.651 663 H ILE 96 HN ILE 96 113.914 5.844 19.270 664 HA ILE 96 HA ILE 96 115.940 4.736 20.708 665 HB ILE 96 HB ILE 96 115.724 3.896 17.811 666 HG12 ILE 96 HG12 ILE 96 113.426 4.396 18.384 667 HG13 ILE 96 HG11 ILE 96 113.640 2.651 18.398 668 HG21 ILE 96 HG21 ILE 96 117.152 2.510 19.132 669 HG22 ILE 96 HG22 ILE 96 115.643 1.624 18.930 670 HG23 ILE 96 HG23 ILE 96 115.984 2.441 20.453 671 HD11 ILE 96 HD11 ILE 96 114.193 3.195 21.002 672 HD12 ILE 96 HD12 ILE 96 112.575 2.830 20.409 673 HD13 ILE 96 HD13 ILE 96 113.068 4.501 20.636 674 HA PRO 97 HA PRO 97 119.680 6.792 19.259 675 HB2 PRO 97 HB2 PRO 97 121.328 4.438 19.770 676 HB3 PRO 97 HB1 PRO 97 121.273 5.955 20.679 677 HG2 PRO 97 HG2 PRO 97 120.180 3.398 21.466 678 HG3 PRO 97 HG1 PRO 97 120.110 4.922 22.362 679 HD2 PRO 97 HD2 PRO 97 117.936 3.589 21.027 680 HD3 PRO 97 HD1 PRO 97 117.890 5.157 21.856 681 H ASP 98 HN ASP 98 118.197 4.047 18.004 682 HA ASP 98 HA ASP 98 120.084 3.591 15.783 683 HB2 ASP 98 HB2 ASP 98 117.442 2.396 16.613 684 HB3 ASP 98 HB1 ASP 98 118.139 2.045 15.029 685 H SER 99 HN SER 99 116.769 4.822 16.187 686 HA SER 99 HA SER 99 116.239 5.336 13.513 687 HB2 SER 99 HB2 SER 99 114.804 7.267 14.447 688 HB3 SER 99 HB1 SER 99 114.461 5.641 15.034 689 HG SER 99 HG SER 99 116.369 7.224 16.351 690 HA PRO 100 HA PRO 100 115.804 6.441 11.795 691 HB2 PRO 100 HB2 PRO 100 116.857 7.572 9.505 692 HB3 PRO 100 HB1 PRO 100 115.659 8.368 10.536 693 HG2 PRO 100 HG2 PRO 100 118.517 9.029 10.189 694 HG3 PRO 100 HG1 PRO 100 117.226 10.013 10.896 695 HD2 PRO 100 HD2 PRO 100 119.263 8.481 12.296 696 HD3 PRO 100 HD1 PRO 100 117.991 9.501 13.000 697 H PHE 101 HN PHE 101 116.511 4.163 11.486 698 HA PHE 101 HA PHE 101 119.297 3.723 10.591 699 HB2 PHE 101 HB2 PHE 101 118.131 1.228 10.301 700 HB3 PHE 101 HB1 PHE 101 118.911 1.802 11.766 701 HD1 PHE 101 HD1 PHE 101 117.321 3.367 13.212 702 HD2 PHE 101 HD2 PHE 101 115.996 0.297 10.575 703 HE1 PHE 101 HE1 PHE 101 115.234 3.187 14.527 704 HE2 PHE 101 HE2 PHE 101 113.892 0.092 11.873 705 HZ PHE 101 HZ PHE 101 113.504 1.538 13.848 706 H VAL 102 HN VAL 102 119.789 2.532 8.596 707 HA VAL 102 HA VAL 102 118.011 3.422 6.378 708 HB VAL 102 HB VAL 102 120.405 4.052 6.287 709 HG11 VAL 102 HG11 VAL 102 121.183 1.991 7.526 710 HG12 VAL 102 HG12 VAL 102 122.131 2.381 6.092 711 HG13 VAL 102 HG13 VAL 102 120.941 1.082 6.035 712 HG21 VAL 102 HG21 VAL 102 119.693 1.957 4.212 713 HG22 VAL 102 HG22 VAL 102 120.811 3.303 4.004 714 HG23 VAL 102 HG23 VAL 102 119.086 3.612 4.201 715 H VAL 103 HN VAL 103 117.010 1.966 5.040 716 HA VAL 103 HA VAL 103 117.433 -0.963 5.573 717 HB VAL 103 HB VAL 103 114.906 0.582 4.948 718 HG11 VAL 103 HG11 VAL 103 115.521 -2.376 4.855 719 HG12 VAL 103 HG12 VAL 103 114.624 -1.403 3.691 720 HG13 VAL 103 HG13 VAL 103 113.897 -1.809 5.242 721 HG21 VAL 103 HG21 VAL 103 114.192 -0.496 7.107 722 HG22 VAL 103 HG22 VAL 103 115.532 0.637 7.291 723 HG23 VAL 103 HG23 VAL 103 115.839 -1.100 7.292 724 HA PRO 104 HA PRO 104 118.486 0.016 1.171 725 HB2 PRO 104 HB2 PRO 104 120.303 -2.241 1.167 726 HB3 PRO 104 HB1 PRO 104 120.706 -0.519 1.117 727 HG2 PRO 104 HG2 PRO 104 121.094 -2.314 3.324 728 HG3 PRO 104 HG1 PRO 104 121.380 -0.568 3.305 729 HD2 PRO 104 HD2 PRO 104 119.188 -2.039 4.571 730 HD3 PRO 104 HD1 PRO 104 119.598 -0.320 4.732 731 H VAL 105 HN VAL 105 116.799 -0.686 -0.054 732 HA VAL 105 HA VAL 105 115.984 -3.552 0.006 733 HB VAL 105 HB VAL 105 114.748 -1.047 -1.170 734 HG11 VAL 105 HG11 VAL 105 113.669 -3.878 -1.256 735 HG12 VAL 105 HG12 VAL 105 114.272 -2.995 -2.652 736 HG13 VAL 105 HG13 VAL 105 112.827 -2.440 -1.816 737 HG21 VAL 105 HG21 VAL 105 114.674 -1.578 1.345 738 HG22 VAL 105 HG22 VAL 105 113.585 -2.891 0.899 739 HG23 VAL 105 HG23 VAL 105 113.150 -1.221 0.537 740 H ALA 106 HN ALA 106 116.151 -4.830 -1.952 741 HA ALA 106 HA ALA 106 117.612 -3.570 -4.260 742 HB1 ALA 106 HB1 ALA 106 119.396 -4.983 -4.102 743 HB2 ALA 106 HB2 ALA 106 118.453 -6.291 -3.379 744 HB3 ALA 106 HB3 ALA 106 118.964 -4.921 -2.396 745 H SER 107 HN SER 107 116.916 -4.268 -6.236 746 HA SER 107 HA SER 107 114.722 -6.237 -6.380 747 HB2 SER 107 HB2 SER 107 116.048 -4.788 -8.693 748 HB3 SER 107 HB1 SER 107 114.450 -5.526 -8.662 749 HG SER 107 HG SER 107 114.556 -3.804 -6.674 750 H LEU 108 HN LEU 108 116.708 -7.612 -5.507 751 HA LEU 108 HA LEU 108 117.812 -9.652 -5.999 752 HB2 LEU 108 HB2 LEU 108 116.388 -9.442 -8.283 753 HB3 LEU 108 HB1 LEU 108 117.974 -9.056 -8.945 754 HG LEU 108 HG LEU 108 118.750 -11.205 -7.626 755 HD11 LEU 108 HD11 LEU 108 116.937 -12.927 -7.560 756 HD12 LEU 108 HD12 LEU 108 115.765 -11.665 -7.933 757 HD13 LEU 108 HD13 LEU 108 116.664 -11.614 -6.418 758 HD21 LEU 108 HD21 LEU 108 117.101 -11.228 -10.170 759 HD22 LEU 108 HD22 LEU 108 118.035 -12.617 -9.612 760 HD23 LEU 108 HD23 LEU 108 118.856 -11.113 -10.031 761 H SER 109 HN SER 109 118.545 -6.495 -6.803 762 HA SER 109 HA SER 109 121.287 -6.782 -7.680 763 HB2 SER 109 HB2 SER 109 119.897 -4.743 -8.047 764 HB3 SER 109 HB1 SER 109 119.973 -4.434 -6.315 765 HG SER 109 HG SER 109 122.297 -4.866 -7.868 766 H ASP 110 HN ASP 110 119.668 -6.999 -4.654 767 HA ASP 110 HA ASP 110 120.465 -7.136 -2.446 768 HB2 ASP 110 HB2 ASP 110 122.204 -8.708 -2.122 769 HB3 ASP 110 HB1 ASP 110 121.495 -9.184 -3.661 770 H ASP 111 HN ASP 111 121.311 -4.896 -4.368 771 HA ASP 111 HA ASP 111 122.833 -3.359 -2.449 772 HB2 ASP 111 HB2 ASP 111 124.176 -4.449 -4.930 773 HB3 ASP 111 HB1 ASP 111 124.705 -2.930 -4.207 774 H ALA 112 HN ALA 112 121.536 -3.791 -5.731 775 HA ALA 112 HA ALA 112 120.784 -2.164 -7.289 776 HB1 ALA 112 HB1 ALA 112 119.105 -0.611 -6.170 777 HB2 ALA 112 HB2 ALA 112 119.571 -1.364 -4.644 778 HB3 ALA 112 HB3 ALA 112 118.844 -2.337 -5.923 779 H ARG 113 HN ARG 113 122.897 -1.181 -7.735 780 HA ARG 113 HA ARG 113 123.743 1.136 -6.188 781 HB2 ARG 113 HB2 ARG 113 124.660 -0.249 -8.693 782 HB3 ARG 113 HB1 ARG 113 125.241 1.381 -8.370 783 HG2 ARG 113 HG2 ARG 113 126.108 0.676 -6.191 784 HG3 ARG 113 HG1 ARG 113 125.463 -0.947 -6.440 785 HD2 ARG 113 HD2 ARG 113 126.968 -1.372 -8.247 786 HD3 ARG 113 HD1 ARG 113 127.434 0.326 -8.348 787 HE ARG 113 HE ARG 113 128.165 -0.386 -5.781 788 HH11 ARG 113 HH21 ARG 113 128.691 -1.632 -8.953 789 HH12 ARG 113 HH22 ARG 113 130.252 -2.284 -8.583 790 HH21 ARG 113 HH11 ARG 113 130.199 -1.232 -5.278 791 HH22 ARG 113 HH12 ARG 113 131.105 -2.059 -6.500 792 H ARG 114 HN ARG 114 123.356 3.277 -6.648 793 HA ARG 114 HA ARG 114 121.204 3.862 -8.592 794 HB2 ARG 114 HB2 ARG 114 121.293 4.775 -6.210 795 HB3 ARG 114 HB1 ARG 114 122.650 5.768 -6.739 796 HG2 ARG 114 HG2 ARG 114 121.306 6.998 -8.260 797 HG3 ARG 114 HG1 ARG 114 120.008 5.806 -8.211 798 HD2 ARG 114 HD2 ARG 114 119.589 6.384 -5.838 799 HD3 ARG 114 HD1 ARG 114 120.860 7.603 -5.922 800 HE ARG 114 HE ARG 114 119.148 8.268 -8.005 801 HH11 ARG 114 HH21 ARG 114 118.883 7.685 -4.618 802 HH12 ARG 114 HH22 ARG 114 117.548 8.765 -4.401 803 HH21 ARG 114 HH11 ARG 114 117.402 9.678 -7.743 804 HH22 ARG 114 HH12 ARG 114 116.709 9.895 -6.171 805 H LEU 115 HN LEU 115 124.402 3.493 -8.867 806 HA LEU 115 HA LEU 115 124.732 5.702 -10.882 807 HB2 LEU 115 HB2 LEU 115 126.929 4.468 -9.204 808 HB3 LEU 115 HB1 LEU 115 127.066 5.838 -10.303 809 HG LEU 115 HG LEU 115 124.988 6.633 -8.595 810 HD11 LEU 115 HD11 LEU 115 125.838 6.288 -6.314 811 HD12 LEU 115 HD12 LEU 115 127.141 5.277 -6.940 812 HD13 LEU 115 HD13 LEU 115 125.465 4.743 -7.078 813 HD21 LEU 115 HD21 LEU 115 127.949 7.210 -8.286 814 HD22 LEU 115 HD22 LEU 115 126.625 8.211 -7.687 815 HD23 LEU 115 HD23 LEU 115 126.867 8.013 -9.424 816 H THR 116 HN THR 116 125.140 2.337 -10.088 817 HA THR 116 HA THR 116 126.272 1.783 -12.808 818 HB THR 116 HB THR 116 126.276 -0.012 -10.364 819 HG1 THR 116 HG1 THR 116 127.632 2.002 -10.435 820 HG21 THR 116 HG21 THR 116 126.349 -1.293 -12.404 821 HG22 THR 116 HG22 THR 116 127.986 -1.247 -11.750 822 HG23 THR 116 HG23 THR 116 127.547 -0.205 -13.104 823 H VAL 117 HN VAL 117 124.497 -0.233 -10.514 824 HA VAL 117 HA VAL 117 122.782 -1.353 -12.533 825 HB VAL 117 HB VAL 117 122.555 -1.124 -9.517 826 HG11 VAL 117 HG11 VAL 117 120.778 -2.965 -9.856 827 HG12 VAL 117 HG12 VAL 117 120.716 -2.428 -11.535 828 HG13 VAL 117 HG13 VAL 117 120.293 -1.312 -10.237 829 HG21 VAL 117 HG21 VAL 117 123.012 -3.591 -9.671 830 HG22 VAL 117 HG22 VAL 117 124.336 -2.597 -10.279 831 HG23 VAL 117 HG23 VAL 117 123.242 -3.396 -11.409 832 H THR 118 HN THR 118 123.082 1.646 -11.173 833 HA THR 118 HA THR 118 121.684 3.482 -10.836 834 HB THR 118 HB THR 118 122.301 3.686 -13.135 835 HG1 THR 118 HG1 THR 118 120.316 4.656 -13.938 836 HG21 THR 118 HG21 THR 118 120.793 2.708 -14.923 837 HG22 THR 118 HG22 THR 118 120.038 1.741 -13.661 838 HG23 THR 118 HG23 THR 118 121.749 1.527 -14.032 839 H SER 119 HN SER 119 120.517 1.832 -9.291 840 HA SER 119 HA SER 119 118.456 1.489 -8.250 841 HB2 SER 119 HB2 SER 119 116.664 2.820 -8.865 842 HB3 SER 119 HB1 SER 119 117.936 3.661 -9.748 843 HG SER 119 HG SER 119 115.819 2.733 -10.796 844 H1 MET 1 HT1 MET 1 125.246 14.409 -11.746 845 H2 MET 1 HT2 MET 1 126.463 13.848 -12.791 846 H3 MET 1 HT3 MET 1 124.827 13.612 -13.183 847 HA MET 1 HA MET 1 125.937 16.327 -12.835 848 HB2 MET 1 HB2 MET 1 126.282 16.389 -15.280 849 HB3 MET 1 HB1 MET 1 127.312 15.169 -14.529 850 HG2 MET 1 HG2 MET 1 125.466 13.484 -15.050 851 HG3 MET 1 HG1 MET 1 124.742 14.733 -16.062 852 HE1 MET 1 HE1 MET 1 125.006 12.387 -17.245 853 HE2 MET 1 HE2 MET 1 126.502 11.573 -16.795 854 HE3 MET 1 HE3 MET 1 126.273 12.127 -18.452 855 H ALA 2 HN ALA 2 123.324 14.632 -12.493 856 HA ALA 2 HA ALA 2 121.524 16.719 -13.319 857 HB1 ALA 2 HB1 ALA 2 121.655 14.218 -15.020 858 HB2 ALA 2 HB2 ALA 2 121.791 15.893 -15.555 859 HB3 ALA 2 HB3 ALA 2 120.243 15.274 -14.980 860 H SER 3 HN SER 3 119.471 16.407 -12.373 861 HA SER 3 HA SER 3 118.039 15.546 -10.717 862 HB2 SER 3 HB2 SER 3 117.276 13.312 -11.134 863 HB3 SER 3 HB1 SER 3 117.686 13.993 -12.705 864 HG SER 3 HG SER 3 119.834 12.856 -11.501 865 H LYS 4 HN LYS 4 119.782 16.154 -9.123 866 HA LYS 4 HA LYS 4 121.679 14.258 -8.172 867 HB2 LYS 4 HB2 LYS 4 120.357 16.372 -6.461 868 HB3 LYS 4 HB1 LYS 4 121.998 15.744 -6.325 869 HG2 LYS 4 HG2 LYS 4 122.471 16.689 -8.611 870 HG3 LYS 4 HG1 LYS 4 120.885 17.459 -8.560 871 HD2 LYS 4 HD2 LYS 4 121.618 18.505 -6.346 872 HD3 LYS 4 HD1 LYS 4 123.249 17.962 -6.743 873 HE2 LYS 4 HE2 LYS 4 121.530 19.751 -8.489 874 HE3 LYS 4 HE1 LYS 4 122.870 20.296 -7.480 875 HZ1 LYS 4 HZ1 LYS 4 122.926 19.054 -10.050 876 HZ2 LYS 4 HZ2 LYS 4 123.904 18.228 -8.933 877 HZ3 LYS 4 HZ3 LYS 4 124.155 19.882 -9.226 878 HA PRO 5 HA PRO 5 119.084 11.374 -5.998 879 HB2 PRO 5 HB2 PRO 5 120.778 11.114 -3.668 880 HB3 PRO 5 HB1 PRO 5 120.664 10.015 -5.050 881 HG2 PRO 5 HG2 PRO 5 122.801 11.905 -4.421 882 HG3 PRO 5 HG1 PRO 5 122.758 10.682 -5.700 883 HD2 PRO 5 HD2 PRO 5 122.548 13.508 -6.050 884 HD3 PRO 5 HD1 PRO 5 122.281 12.260 -7.286 885 H GLU 6 HN GLU 6 118.853 11.200 -3.141 886 HA GLU 6 HA GLU 6 117.779 12.238 -1.336 887 HB2 GLU 6 HB2 GLU 6 119.715 13.988 -1.994 888 HB3 GLU 6 HB1 GLU 6 118.331 14.983 -2.432 889 HG2 GLU 6 HG2 GLU 6 117.396 14.683 -0.163 890 HG3 GLU 6 HG1 GLU 6 118.772 13.671 0.272 891 H LYS 7 HN LYS 7 115.971 14.115 -1.032 892 HA LYS 7 HA LYS 7 113.760 14.679 -1.571 893 HB2 LYS 7 HB2 LYS 7 114.933 14.870 -4.365 894 HB3 LYS 7 HB1 LYS 7 113.428 15.603 -3.825 895 HG2 LYS 7 HG2 LYS 7 115.980 16.233 -2.350 896 HG3 LYS 7 HG1 LYS 7 115.653 17.037 -3.880 897 HD2 LYS 7 HD2 LYS 7 113.720 17.005 -1.540 898 HD3 LYS 7 HD1 LYS 7 114.849 18.315 -1.866 899 HE2 LYS 7 HE2 LYS 7 113.075 19.182 -3.046 900 HE3 LYS 7 HE1 LYS 7 113.636 18.096 -4.315 901 HZ1 LYS 7 HZ1 LYS 7 111.250 17.987 -2.752 902 HZ2 LYS 7 HZ2 LYS 7 112.103 16.519 -2.698 903 HZ3 LYS 7 HZ3 LYS 7 111.634 17.178 -4.192 904 H ARG 8 HN ARG 8 113.640 12.133 -1.146 905 HA ARG 8 HA ARG 8 112.718 10.702 -3.599 906 HB2 ARG 8 HB2 ARG 8 112.983 9.623 -0.781 907 HB3 ARG 8 HB1 ARG 8 112.871 8.705 -2.281 908 HG2 ARG 8 HG2 ARG 8 115.046 9.509 -3.006 909 HG3 ARG 8 HG1 ARG 8 115.154 10.584 -1.613 910 HD2 ARG 8 HD2 ARG 8 114.881 8.433 -0.187 911 HD3 ARG 8 HD1 ARG 8 115.302 7.580 -1.669 912 HE ARG 8 HE ARG 8 117.302 9.453 -1.474 913 HH11 ARG 8 HH21 ARG 8 115.883 7.155 0.659 914 HH12 ARG 8 HH22 ARG 8 117.352 6.852 1.526 915 HH21 ARG 8 HH11 ARG 8 119.231 9.074 -0.356 916 HH22 ARG 8 HH12 ARG 8 119.248 7.938 0.951 917 H VAL 9 HN VAL 9 110.712 9.224 -2.996 918 HA VAL 9 HA VAL 9 108.464 10.882 -2.579 919 HB VAL 9 HB VAL 9 108.925 7.920 -2.280 920 HG11 VAL 9 HG11 VAL 9 107.119 8.285 -0.757 921 HG12 VAL 9 HG12 VAL 9 106.366 7.768 -2.265 922 HG13 VAL 9 HG13 VAL 9 106.371 9.476 -1.823 923 HG21 VAL 9 HG21 VAL 9 108.967 8.789 -4.549 924 HG22 VAL 9 HG22 VAL 9 107.445 9.641 -4.286 925 HG23 VAL 9 HG23 VAL 9 107.474 7.878 -4.319 926 H ALA 10 HN ALA 10 107.025 10.949 -0.666 927 HA ALA 10 HA ALA 10 108.541 10.672 1.919 928 HB1 ALA 10 HB1 ALA 10 108.068 13.022 1.239 929 HB2 ALA 10 HB2 ALA 10 107.255 12.575 2.739 930 HB3 ALA 10 HB3 ALA 10 106.345 12.644 1.229 931 H SER 11 HN SER 11 107.502 9.669 3.627 932 HA SER 11 HA SER 11 104.631 8.922 3.311 933 HB2 SER 11 HB2 SER 11 106.083 7.054 2.418 934 HB3 SER 11 HB1 SER 11 106.769 6.901 4.030 935 HG SER 11 HG SER 11 103.992 6.790 3.458 936 H SER 12 HN SER 12 103.559 8.937 5.262 937 HA SER 12 HA SER 12 105.154 8.942 7.784 938 HB2 SER 12 HB2 SER 12 104.922 11.279 7.433 939 HB3 SER 12 HB1 SER 12 103.278 11.108 6.823 940 HG SER 12 HG SER 12 103.969 10.295 9.436 941 H VAL 13 HN VAL 13 104.205 7.642 9.254 942 HA VAL 13 HA VAL 13 101.343 7.467 9.623 943 HB VAL 13 HB VAL 13 101.483 6.113 7.604 944 HG11 VAL 13 HG11 VAL 13 103.483 4.418 9.106 945 HG12 VAL 13 HG12 VAL 13 103.910 5.579 7.849 946 HG13 VAL 13 HG13 VAL 13 102.925 4.175 7.452 947 HG21 VAL 13 HG21 VAL 13 101.309 4.123 9.863 948 HG22 VAL 13 HG22 VAL 13 100.341 4.207 8.392 949 HG23 VAL 13 HG23 VAL 13 100.090 5.386 9.678 950 H PHE 14 HN PHE 14 100.850 5.702 11.288 951 HA PHE 14 HA PHE 14 102.967 4.403 12.699 952 HB2 PHE 14 HB2 PHE 14 103.211 5.757 14.623 953 HB3 PHE 14 HB1 PHE 14 103.555 6.766 13.250 954 HD1 PHE 14 HD2 PHE 14 101.372 7.994 12.240 955 HD2 PHE 14 HD1 PHE 14 101.840 6.644 16.293 956 HE1 PHE 14 HE2 PHE 14 99.650 9.607 12.978 957 HE2 PHE 14 HE1 PHE 14 100.124 8.266 17.030 958 HZ PHE 14 HZ PHE 14 99.021 9.747 15.373 959 H ILE 15 HN ILE 15 102.162 4.385 15.269 960 HA ILE 15 HA ILE 15 99.261 3.896 15.431 961 HB ILE 15 HB ILE 15 99.956 1.583 16.508 962 HG12 ILE 15 HG12 ILE 15 102.162 1.918 14.468 963 HG13 ILE 15 HG11 ILE 15 102.419 2.173 16.194 964 HG21 ILE 15 HG21 ILE 15 98.537 1.876 14.483 965 HG22 ILE 15 HG22 ILE 15 99.602 0.476 14.356 966 HG23 ILE 15 HG23 ILE 15 100.000 1.966 13.502 967 HD11 ILE 15 HD11 ILE 15 101.457 -0.382 14.876 968 HD12 ILE 15 HD12 ILE 15 101.562 -0.137 16.619 969 HD13 ILE 15 HD13 ILE 15 103.027 -0.119 15.637 970 H THR 16 HN THR 16 98.793 3.179 17.828 971 HA THR 16 HA THR 16 100.846 4.193 19.732 972 HB THR 16 HB THR 16 99.333 5.753 20.772 973 HG1 THR 16 HG1 THR 16 97.497 4.233 19.922 974 HG21 THR 16 HG21 THR 16 99.074 6.107 17.776 975 HG22 THR 16 HG22 THR 16 100.532 6.487 18.692 976 HG23 THR 16 HG23 THR 16 99.040 7.376 19.001 977 H LEU 17 HN LEU 17 100.618 3.334 21.822 978 HA LEU 17 HA LEU 17 98.765 1.005 22.017 979 HB2 LEU 17 HB2 LEU 17 100.954 1.743 23.970 980 HB3 LEU 17 HB1 LEU 17 100.217 0.163 23.701 981 HG LEU 17 HG LEU 17 102.019 1.672 21.786 982 HD11 LEU 17 HD11 LEU 17 103.579 -0.112 22.166 983 HD12 LEU 17 HD12 LEU 17 102.382 -1.055 23.053 984 HD13 LEU 17 HD13 LEU 17 103.037 0.424 23.757 985 HD21 LEU 17 HD21 LEU 17 101.777 -0.532 20.465 986 HD22 LEU 17 HD22 LEU 17 100.413 0.585 20.407 987 HD23 LEU 17 HD23 LEU 17 100.350 -0.830 21.458 988 H ALA 18 HN ALA 18 97.046 1.044 23.406 989 HA ALA 18 HA ALA 18 96.991 2.972 25.652 990 HB1 ALA 18 HB1 ALA 18 96.051 4.344 23.922 991 HB2 ALA 18 HB2 ALA 18 94.701 3.765 24.899 992 HB3 ALA 18 HB3 ALA 18 95.043 3.020 23.338 993 HA PRO 19 HA PRO 19 95.025 -1.238 26.268 994 HB2 PRO 19 HB2 PRO 19 96.385 -1.311 28.846 995 HB3 PRO 19 HB1 PRO 19 96.609 -2.390 27.463 996 HG2 PRO 19 HG2 PRO 19 98.432 -0.372 28.380 997 HG3 PRO 19 HG1 PRO 19 98.585 -1.364 26.922 998 HD2 PRO 19 HD2 PRO 19 97.911 1.465 27.111 999 HD3 PRO 19 HD1 PRO 19 98.196 0.502 25.647 1000 HA PRO 20 HA PRO 20 91.804 0.262 28.863 1001 HB2 PRO 20 HB2 PRO 20 91.854 -1.787 30.927 1002 HB3 PRO 20 HB1 PRO 20 90.724 -1.628 29.575 1003 HG2 PRO 20 HG2 PRO 20 92.874 -3.550 29.862 1004 HG3 PRO 20 HG1 PRO 20 91.724 -3.402 28.526 1005 HD2 PRO 20 HD2 PRO 20 94.523 -2.728 28.494 1006 HD3 PRO 20 HD1 PRO 20 93.346 -2.501 27.185 1007 H ARG 21 HN ARG 21 91.520 0.064 31.714 1008 HA ARG 21 HA ARG 21 94.040 1.194 32.823 1009 HB2 ARG 21 HB2 ARG 21 92.683 3.087 33.826 1010 HB3 ARG 21 HB1 ARG 21 92.928 3.195 32.086 1011 HG2 ARG 21 HG2 ARG 21 90.471 1.746 33.026 1012 HG3 ARG 21 HG1 ARG 21 90.490 3.497 33.212 1013 HD2 ARG 21 HD2 ARG 21 91.267 2.255 30.578 1014 HD3 ARG 21 HD1 ARG 21 89.569 2.489 30.990 1015 HE ARG 21 HE ARG 21 90.713 4.958 31.498 1016 HH11 ARG 21 HH21 ARG 21 90.622 2.735 28.864 1017 HH12 ARG 21 HH22 ARG 21 90.742 3.964 27.649 1018 HH21 ARG 21 HH11 ARG 21 90.871 6.575 29.928 1019 HH22 ARG 21 HH12 ARG 21 90.881 6.138 28.252 1020 H ARG 22 HN ARG 22 92.956 2.046 35.268 1021 HA ARG 22 HA ARG 22 91.355 -0.184 36.358 1022 HB2 ARG 22 HB2 ARG 22 93.040 -0.790 38.035 1023 HB3 ARG 22 HB1 ARG 22 93.694 -1.021 36.413 1024 HG2 ARG 22 HG2 ARG 22 94.573 1.440 36.700 1025 HG3 ARG 22 HG1 ARG 22 94.330 1.136 38.420 1026 HD2 ARG 22 HD2 ARG 22 96.173 -0.298 36.509 1027 HD3 ARG 22 HD1 ARG 22 96.575 0.502 38.028 1028 HE ARG 22 HE ARG 22 94.832 -1.517 38.782 1029 HH11 ARG 22 HH21 ARG 22 97.741 -1.271 36.947 1030 HH12 ARG 22 HH22 ARG 22 98.299 -2.855 37.369 1031 HH21 ARG 22 HH11 ARG 22 95.544 -3.587 39.345 1032 HH22 ARG 22 HH12 ARG 22 97.055 -4.167 38.727 1033 H ASP 23 HN ASP 23 89.923 0.778 37.703 1034 HA ASP 23 HA ASP 23 90.683 2.580 39.801 1035 HB2 ASP 23 HB2 ASP 23 89.428 4.595 38.885 1036 HB3 ASP 23 HB1 ASP 23 90.976 4.260 38.109 1037 H VAL 24 HN VAL 24 89.170 2.148 41.327 1038 HA VAL 24 HA VAL 24 86.334 2.291 40.780 1039 HB VAL 24 HB VAL 24 86.848 0.062 39.791 1040 HG11 VAL 24 HG11 VAL 24 88.773 -0.358 41.406 1041 HG12 VAL 24 HG12 VAL 24 87.692 -1.728 41.145 1042 HG13 VAL 24 HG13 VAL 24 87.555 -0.764 42.616 1043 HG21 VAL 24 HG21 VAL 24 85.080 -1.132 40.940 1044 HG22 VAL 24 HG22 VAL 24 84.661 0.581 40.942 1045 HG23 VAL 24 HG23 VAL 24 85.315 -0.168 42.398 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 114.985 11.444 45.584 2 H2 GLY 1 HT2 GLY 1 116.147 12.283 44.673 3 H3 GLY 1 HT3 GLY 1 116.564 11.620 46.180 4 HA2 GLY 1 HA2 GLY 1 115.422 9.543 44.511 5 HA3 GLY 1 HA1 GLY 1 116.844 10.353 43.796 6 H ILE 2 HN ILE 2 116.949 7.709 44.678 7 HA ILE 2 HA ILE 2 119.794 7.882 44.655 8 HB ILE 2 HB ILE 2 119.380 8.756 46.962 9 HG12 ILE 2 HG12 ILE 2 120.543 5.989 47.280 10 HG13 ILE 2 HG11 ILE 2 121.356 7.166 46.251 11 HG21 ILE 2 HG21 ILE 2 118.190 7.597 48.590 12 HG22 ILE 2 HG22 ILE 2 118.416 6.036 47.810 13 HG23 ILE 2 HG23 ILE 2 117.258 7.190 47.151 14 HD11 ILE 2 HD11 ILE 2 120.592 7.639 49.148 15 HD12 ILE 2 HD12 ILE 2 121.499 8.742 48.113 16 HD13 ILE 2 HD13 ILE 2 122.206 7.198 48.592 17 HA PRO 3 HA PRO 3 117.282 3.869 43.956 18 HB2 PRO 3 HB2 PRO 3 118.083 3.786 41.227 19 HB3 PRO 3 HB1 PRO 3 116.475 4.209 41.831 20 HG2 PRO 3 HG2 PRO 3 118.591 5.998 40.774 21 HG3 PRO 3 HG1 PRO 3 116.849 6.289 40.916 22 HD2 PRO 3 HD2 PRO 3 118.799 7.435 42.576 23 HD3 PRO 3 HD1 PRO 3 117.072 7.288 42.962 24 H GLU 4 HN GLU 4 119.884 4.238 41.632 25 HA GLU 4 HA GLU 4 122.043 3.215 41.592 26 HB2 GLU 4 HB2 GLU 4 121.898 3.890 44.221 27 HB3 GLU 4 HB1 GLU 4 121.772 2.141 44.397 28 HG2 GLU 4 HG2 GLU 4 123.836 1.975 42.901 29 HG3 GLU 4 HG1 GLU 4 124.016 3.716 43.118 30 H PHE 5 HN PHE 5 119.136 2.003 42.665 31 HA PHE 5 HA PHE 5 119.601 -0.848 42.165 32 HB2 PHE 5 HB2 PHE 5 117.470 0.977 43.312 33 HB3 PHE 5 HB1 PHE 5 116.928 -0.555 42.584 34 HD1 PHE 5 HD1 PHE 5 118.338 -2.697 43.309 35 HD2 PHE 5 HD2 PHE 5 118.092 0.950 45.568 36 HE1 PHE 5 HE1 PHE 5 119.005 -3.921 45.360 37 HE2 PHE 5 HE2 PHE 5 118.759 -0.275 47.617 38 HZ PHE 5 HZ PHE 5 119.216 -2.711 47.513 39 H PHE 6 HN PHE 6 119.815 1.569 40.363 40 HA PHE 6 HA PHE 6 119.171 2.353 38.302 41 HB2 PHE 6 HB2 PHE 6 118.794 0.567 36.578 42 HB3 PHE 6 HB1 PHE 6 120.268 0.357 37.517 43 HD1 PHE 6 HD1 PHE 6 120.452 -1.404 39.219 44 HD2 PHE 6 HD2 PHE 6 116.904 -0.967 36.835 45 HE1 PHE 6 HE1 PHE 6 119.706 -3.665 39.912 46 HE2 PHE 6 HE2 PHE 6 116.158 -3.224 37.532 47 HZ PHE 6 HZ PHE 6 117.559 -4.574 39.070 48 H GLN 7 HN GLN 7 117.195 1.104 36.553 49 HA GLN 7 HA GLN 7 114.846 0.944 36.268 50 HB2 GLN 7 HB2 GLN 7 114.853 0.421 38.905 51 HB3 GLN 7 HB1 GLN 7 114.286 2.087 39.005 52 HG2 GLN 7 HG2 GLN 7 112.468 1.540 37.398 53 HG3 GLN 7 HG1 GLN 7 113.009 -0.139 37.389 54 HE21 GLN 7 HE21 GLN 7 110.415 1.077 38.429 55 HE22 GLN 7 HE22 GLN 7 110.314 0.556 40.041 56 H PHE 8 HN PHE 8 116.908 3.321 37.240 57 HA PHE 8 HA PHE 8 115.471 5.351 35.707 58 HB2 PHE 8 HB2 PHE 8 114.746 5.565 38.174 59 HB3 PHE 8 HB1 PHE 8 116.405 6.074 38.487 60 HD1 PHE 8 HD1 PHE 8 113.393 6.847 36.419 61 HD2 PHE 8 HD2 PHE 8 117.095 8.299 38.044 62 HE1 PHE 8 HE1 PHE 8 112.827 9.139 35.660 63 HE2 PHE 8 HE2 PHE 8 116.528 10.591 37.285 64 HZ PHE 8 HZ PHE 8 114.395 11.011 36.094 65 H THR 9 HN THR 9 118.238 4.367 37.566 66 HA THR 9 HA THR 9 120.012 6.221 36.061 67 HB THR 9 HB THR 9 120.705 4.178 38.201 68 HG1 THR 9 HG1 THR 9 120.904 6.392 39.334 69 HG21 THR 9 HG21 THR 9 122.680 5.827 38.446 70 HG22 THR 9 HG22 THR 9 122.198 6.434 36.862 71 HG23 THR 9 HG23 THR 9 122.688 4.750 37.051 72 H VAL 10 HN VAL 10 118.454 3.455 35.582 73 HA VAL 10 HA VAL 10 120.145 1.408 34.861 74 HB VAL 10 HB VAL 10 117.616 1.501 34.593 75 HG11 VAL 10 HG11 VAL 10 116.680 2.327 32.551 76 HG12 VAL 10 HG12 VAL 10 118.273 2.576 31.835 77 HG13 VAL 10 HG13 VAL 10 117.726 3.611 33.155 78 HG21 VAL 10 HG21 VAL 10 117.670 -0.025 32.567 79 HG22 VAL 10 HG22 VAL 10 118.803 -0.455 33.848 80 HG23 VAL 10 HG23 VAL 10 119.380 0.375 32.403 81 H GLY 11 HN GLY 11 119.430 4.302 32.975 82 HA2 GLY 11 HA2 GLY 11 121.683 3.619 31.109 83 HA3 GLY 11 HA1 GLY 11 120.269 4.571 30.662 84 HA PRO 12 HA PRO 12 123.682 7.419 31.945 85 HB2 PRO 12 HB2 PRO 12 123.564 8.913 29.569 86 HB3 PRO 12 HB1 PRO 12 124.785 7.688 29.947 87 HG2 PRO 12 HG2 PRO 12 122.523 7.500 28.073 88 HG3 PRO 12 HG1 PRO 12 123.920 6.424 28.231 89 HD2 PRO 12 HD2 PRO 12 121.234 5.917 29.110 90 HD3 PRO 12 HD1 PRO 12 122.657 4.895 29.397 91 H LEU 13 HN LEU 13 120.609 7.344 31.361 92 HA LEU 13 HA LEU 13 119.755 9.455 32.949 93 HB2 LEU 13 HB2 LEU 13 118.949 11.021 30.983 94 HB3 LEU 13 HB1 LEU 13 120.580 11.185 31.606 95 HG LEU 13 HG LEU 13 121.001 9.286 29.609 96 HD11 LEU 13 HD11 LEU 13 119.008 11.227 28.422 97 HD12 LEU 13 HD12 LEU 13 118.531 9.631 28.989 98 HD13 LEU 13 HD13 LEU 13 119.707 9.783 27.688 99 HD21 LEU 13 HD21 LEU 13 122.372 11.258 29.835 100 HD22 LEU 13 HD22 LEU 13 121.019 12.317 29.434 101 HD23 LEU 13 HD23 LEU 13 121.712 11.266 28.199 102 H GLY 14 HN GLY 14 119.198 6.780 31.791 103 HA2 GLY 14 HA2 GLY 14 117.211 5.503 31.607 104 HA3 GLY 14 HA1 GLY 14 116.283 7.002 31.722 105 H GLU 15 HN GLU 15 117.459 8.433 29.636 106 HA GLU 15 HA GLU 15 117.104 8.755 27.333 107 HB2 GLU 15 HB2 GLU 15 118.988 6.980 27.481 108 HB3 GLU 15 HB1 GLU 15 117.735 5.813 27.052 109 HG2 GLU 15 HG2 GLU 15 117.258 7.032 24.986 110 HG3 GLU 15 HG1 GLU 15 118.405 8.293 25.435 111 H GLY 16 HN GLY 16 115.048 7.366 29.229 112 HA2 GLY 16 HA2 GLY 16 112.774 6.873 28.993 113 HA3 GLY 16 HA1 GLY 16 112.928 7.189 27.261 114 H GLY 17 HN GLY 17 111.514 5.214 27.108 115 HA2 GLY 17 HA2 GLY 17 112.532 2.641 27.907 116 HA3 GLY 17 HA1 GLY 17 111.225 2.911 26.758 117 H ALA 18 HN ALA 18 113.613 4.756 25.494 118 HA ALA 18 HA ALA 18 114.111 3.148 23.266 119 HB1 ALA 18 HB1 ALA 18 114.865 5.361 23.048 120 HB2 ALA 18 HB2 ALA 18 116.377 4.466 23.181 121 HB3 ALA 18 HB3 ALA 18 115.727 5.315 24.584 122 H HIS 19 HN HIS 19 115.155 2.621 26.445 123 HA HIS 19 HA HIS 19 117.436 0.909 25.618 124 HB2 HIS 19 HB2 HIS 19 117.812 2.336 27.563 125 HB3 HIS 19 HB1 HIS 19 116.369 1.695 28.348 126 HD1 HIS 19 HD1 HIS 19 118.359 -0.799 26.498 127 HD2 HIS 19 HD2 HIS 19 118.209 0.674 30.394 128 HE1 HIS 19 HE1 HIS 19 119.656 -2.435 27.933 129 H LYS 20 HN LYS 20 114.303 0.672 27.342 130 HA LYS 20 HA LYS 20 114.492 -2.245 27.460 131 HB2 LYS 20 HB2 LYS 20 112.327 -2.171 28.518 132 HB3 LYS 20 HB1 LYS 20 113.289 -0.854 29.178 133 HG2 LYS 20 HG2 LYS 20 111.467 0.447 28.682 134 HG3 LYS 20 HG1 LYS 20 112.087 0.408 27.039 135 HD2 LYS 20 HD2 LYS 20 110.696 -1.693 26.673 136 HD3 LYS 20 HD1 LYS 20 109.959 -1.384 28.239 137 HE2 LYS 20 HE2 LYS 20 109.767 1.088 26.918 138 HE3 LYS 20 HE1 LYS 20 109.401 -0.101 25.671 139 HZ1 LYS 20 HZ1 LYS 20 107.517 0.723 27.166 140 HZ2 LYS 20 HZ2 LYS 20 108.183 -0.301 28.348 141 HZ3 LYS 20 HZ3 LYS 20 107.635 -0.944 26.874 142 H VAL 21 HN VAL 21 113.174 0.143 25.277 143 HA VAL 21 HA VAL 21 111.315 -1.548 23.889 144 HB VAL 21 HB VAL 21 112.947 0.822 22.908 145 HG11 VAL 21 HG11 VAL 21 111.079 0.883 21.144 146 HG12 VAL 21 HG12 VAL 21 110.724 -0.776 21.625 147 HG13 VAL 21 HG13 VAL 21 112.303 -0.372 20.954 148 HG21 VAL 21 HG21 VAL 21 111.032 2.142 23.392 149 HG22 VAL 21 HG22 VAL 21 111.209 1.093 24.798 150 HG23 VAL 21 HG23 VAL 21 109.998 0.725 23.569 151 H ARG 22 HN ARG 22 111.857 -3.425 23.021 152 HA ARG 22 HA ARG 22 114.566 -3.798 21.838 153 HB2 ARG 22 HB2 ARG 22 113.746 -5.410 23.550 154 HB3 ARG 22 HB1 ARG 22 112.390 -5.791 22.497 155 HG2 ARG 22 HG2 ARG 22 113.876 -7.506 21.918 156 HG3 ARG 22 HG1 ARG 22 114.318 -6.301 20.719 157 HD2 ARG 22 HD2 ARG 22 116.363 -7.098 21.690 158 HD3 ARG 22 HD1 ARG 22 116.090 -5.485 22.348 159 HE ARG 22 HE ARG 22 114.892 -7.162 24.198 160 HH11 ARG 22 HH21 ARG 22 117.975 -6.905 22.675 161 HH12 ARG 22 HH22 ARG 22 118.843 -7.563 24.022 162 HH21 ARG 22 HH11 ARG 22 116.007 -8.022 25.964 163 HH22 ARG 22 HH12 ARG 22 117.728 -8.196 25.884 164 H ALA 23 HN ALA 23 114.808 -4.157 19.672 165 HA ALA 23 HA ALA 23 112.451 -4.769 17.988 166 HB1 ALA 23 HB1 ALA 23 114.224 -2.364 17.451 167 HB2 ALA 23 HB2 ALA 23 112.596 -2.265 18.124 168 HB3 ALA 23 HB3 ALA 23 112.840 -2.887 16.491 169 H GLY 24 HN GLY 24 113.200 -6.530 16.905 170 HA2 GLY 24 HA2 GLY 24 115.773 -6.312 15.446 171 HA3 GLY 24 HA1 GLY 24 115.651 -7.617 16.626 172 H GLY 25 HN GLY 25 115.598 -7.310 13.475 173 HA2 GLY 25 HA2 GLY 25 114.124 -9.704 12.991 174 HA3 GLY 25 HA1 GLY 25 113.118 -8.326 12.562 175 H THR 26 HN THR 26 113.669 -9.892 10.503 176 HA THR 26 HA THR 26 116.141 -9.218 9.149 177 HB THR 26 HB THR 26 113.648 -10.406 7.925 178 HG1 THR 26 HG1 THR 26 115.190 -11.362 9.873 179 HG21 THR 26 HG21 THR 26 115.338 -11.487 6.437 180 HG22 THR 26 HG22 THR 26 116.596 -10.550 7.243 181 HG23 THR 26 HG23 THR 26 115.341 -9.728 6.315 182 H GLY 27 HN GLY 27 113.051 -7.741 9.470 183 HA2 GLY 27 HA2 GLY 27 112.993 -6.344 6.949 184 HA3 GLY 27 HA1 GLY 27 112.101 -5.882 8.399 185 H LEU 28 HN LEU 28 114.717 -5.935 9.910 186 HA LEU 28 HA LEU 28 115.416 -3.125 9.400 187 HB2 LEU 28 HB2 LEU 28 116.811 -4.936 11.372 188 HB3 LEU 28 HB1 LEU 28 116.504 -3.204 11.481 189 HG LEU 28 HG LEU 28 114.461 -5.426 11.715 190 HD11 LEU 28 HD11 LEU 28 114.256 -4.756 13.985 191 HD12 LEU 28 HD12 LEU 28 115.131 -3.250 13.705 192 HD13 LEU 28 HD13 LEU 28 115.994 -4.788 13.685 193 HD21 LEU 28 HD21 LEU 28 113.344 -3.676 10.543 194 HD22 LEU 28 HD22 LEU 28 114.160 -2.425 11.477 195 HD23 LEU 28 HD23 LEU 28 112.922 -3.424 12.236 196 H GLU 29 HN GLU 29 116.393 -6.105 8.225 197 HA GLU 29 HA GLU 29 119.244 -5.430 7.916 198 HB2 GLU 29 HB2 GLU 29 117.606 -7.768 6.901 199 HB3 GLU 29 HB1 GLU 29 119.362 -7.629 6.788 200 HG2 GLU 29 HG2 GLU 29 117.962 -7.372 9.455 201 HG3 GLU 29 HG1 GLU 29 118.364 -8.952 8.798 202 H ARG 30 HN ARG 30 116.555 -6.207 5.656 203 HA ARG 30 HA ARG 30 117.130 -3.992 3.920 204 HB2 ARG 30 HB2 ARG 30 118.006 -5.401 1.987 205 HB3 ARG 30 HB1 ARG 30 119.149 -5.130 3.301 206 HG2 ARG 30 HG2 ARG 30 118.607 -7.324 4.258 207 HG3 ARG 30 HG1 ARG 30 117.414 -7.597 2.988 208 HD2 ARG 30 HD2 ARG 30 119.121 -7.608 1.284 209 HD3 ARG 30 HD1 ARG 30 120.347 -7.081 2.437 210 HE ARG 30 HE ARG 30 119.402 -9.456 3.511 211 HH11 ARG 30 HH21 ARG 30 120.651 -8.399 0.477 212 HH12 ARG 30 HH22 ARG 30 121.355 -9.931 0.081 213 HH21 ARG 30 HH11 ARG 30 120.315 -11.463 3.014 214 HH22 ARG 30 HH12 ARG 30 121.165 -11.666 1.518 215 H GLY 31 HN GLY 31 116.129 -4.677 1.549 216 HA2 GLY 31 HA2 GLY 31 113.840 -6.522 1.900 217 HA3 GLY 31 HA1 GLY 31 113.456 -4.826 1.600 218 H VAL 32 HN VAL 32 112.526 -6.381 -0.316 219 HA VAL 32 HA VAL 32 114.420 -5.959 -2.581 220 HB VAL 32 HB VAL 32 112.897 -8.471 -1.900 221 HG11 VAL 32 HG11 VAL 32 112.340 -8.145 -4.200 222 HG12 VAL 32 HG12 VAL 32 113.697 -9.271 -4.190 223 HG13 VAL 32 HG13 VAL 32 113.963 -7.573 -4.579 224 HG21 VAL 32 HG21 VAL 32 115.743 -8.145 -2.846 225 HG22 VAL 32 HG22 VAL 32 115.021 -9.524 -2.019 226 HG23 VAL 32 HG23 VAL 32 115.303 -8.020 -1.143 227 H ALA 33 HN ALA 33 113.461 -5.422 -4.536 228 HA ALA 33 HA ALA 33 111.354 -3.708 -4.660 229 HB1 ALA 33 HB1 ALA 33 111.469 -5.685 -6.910 230 HB2 ALA 33 HB2 ALA 33 112.922 -4.773 -6.535 231 HB3 ALA 33 HB3 ALA 33 111.443 -3.921 -6.962 232 H GLY 34 HN GLY 34 109.396 -3.974 -3.666 233 HA2 GLY 34 HA2 GLY 34 107.236 -4.779 -3.311 234 HA3 GLY 34 HA1 GLY 34 107.406 -5.609 -4.849 235 H VAL 35 HN VAL 35 108.851 -5.999 -1.571 236 HA VAL 35 HA VAL 35 108.051 -8.877 -1.732 237 HB VAL 35 HB VAL 35 110.574 -8.322 -1.977 238 HG11 VAL 35 HG11 VAL 35 110.529 -6.711 0.003 239 HG12 VAL 35 HG12 VAL 35 111.809 -7.922 0.044 240 HG13 VAL 35 HG13 VAL 35 110.381 -8.129 1.043 241 HG21 VAL 35 HG21 VAL 35 109.653 -10.582 -1.553 242 HG22 VAL 35 HG22 VAL 35 109.647 -10.245 0.178 243 HG23 VAL 35 HG23 VAL 35 111.175 -10.334 -0.698 244 HA PRO 36 HA PRO 36 106.003 -7.628 2.097 245 HB2 PRO 36 HB2 PRO 36 105.578 -10.326 2.989 246 HB3 PRO 36 HB1 PRO 36 104.407 -9.280 2.173 247 HG2 PRO 36 HG2 PRO 36 105.837 -11.586 1.082 248 HG3 PRO 36 HG1 PRO 36 104.527 -10.654 0.342 249 HD2 PRO 36 HD2 PRO 36 107.304 -10.596 -0.381 250 HD3 PRO 36 HD1 PRO 36 106.006 -9.558 -1.016 251 H ALA 37 HN ALA 37 107.201 -7.033 3.897 252 HA ALA 37 HA ALA 37 109.227 -8.982 4.962 253 HB1 ALA 37 HB1 ALA 37 109.618 -6.095 4.178 254 HB2 ALA 37 HB2 ALA 37 110.610 -7.492 3.764 255 HB3 ALA 37 HB3 ALA 37 110.641 -6.846 5.405 256 H GLU 38 HN GLU 38 109.806 -8.508 7.238 257 HA GLU 38 HA GLU 38 108.155 -6.606 8.706 258 HB2 GLU 38 HB2 GLU 38 106.776 -8.133 9.904 259 HB3 GLU 38 HB1 GLU 38 106.647 -8.630 8.217 260 HG2 GLU 38 HG2 GLU 38 108.610 -10.242 8.764 261 HG3 GLU 38 HG1 GLU 38 108.207 -9.926 10.456 262 H PHE 39 HN PHE 39 108.496 -6.820 11.069 263 HA PHE 39 HA PHE 39 110.939 -8.299 11.842 264 HB2 PHE 39 HB2 PHE 39 111.623 -6.138 13.159 265 HB3 PHE 39 HB1 PHE 39 112.043 -6.265 11.456 266 HD1 PHE 39 HD2 PHE 39 110.292 -5.323 9.774 267 HD2 PHE 39 HD1 PHE 39 110.458 -4.235 13.912 268 HE1 PHE 39 HE2 PHE 39 109.056 -3.233 9.267 269 HE2 PHE 39 HE1 PHE 39 109.226 -2.139 13.410 270 HZ PHE 39 HZ PHE 39 108.525 -1.639 11.087 271 H SER 40 HN SER 40 111.160 -7.757 14.371 272 HA SER 40 HA SER 40 108.400 -7.989 15.540 273 HB2 SER 40 HB2 SER 40 110.857 -9.400 16.594 274 HB3 SER 40 HB1 SER 40 109.173 -9.691 17.019 275 HG SER 40 HG SER 40 108.994 -10.921 15.327 276 H ILE 41 HN ILE 41 108.006 -6.788 17.346 277 HA ILE 41 HA ILE 41 110.288 -5.428 18.721 278 HB ILE 41 HB ILE 41 107.776 -4.138 17.610 279 HG12 ILE 41 HG12 ILE 41 110.693 -3.369 17.309 280 HG13 ILE 41 HG11 ILE 41 109.848 -4.413 16.166 281 HG21 ILE 41 HG21 ILE 41 108.763 -2.048 18.737 282 HG22 ILE 41 HG22 ILE 41 109.744 -3.157 19.693 283 HG23 ILE 41 HG23 ILE 41 107.985 -3.216 19.804 284 HD11 ILE 41 HD11 ILE 41 108.757 -1.698 16.919 285 HD12 ILE 41 HD12 ILE 41 108.361 -2.688 15.514 286 HD13 ILE 41 HD13 ILE 41 109.932 -1.893 15.619 287 H TRP 42 HN TRP 42 110.142 -5.961 20.847 288 HA TRP 42 HA TRP 42 107.403 -6.314 22.046 289 HB2 TRP 42 HB2 TRP 42 108.159 -8.104 23.361 290 HB3 TRP 42 HB1 TRP 42 108.957 -8.397 21.821 291 HD1 TRP 42 HD1 TRP 42 111.497 -8.630 21.868 292 HE1 TRP 42 HE1 TRP 42 113.345 -8.207 23.615 293 HE3 TRP 42 HE3 TRP 42 108.747 -6.398 25.555 294 HZ2 TRP 42 HZ2 TRP 42 113.624 -7.072 26.223 295 HZ3 TRP 42 HZ3 TRP 42 109.830 -5.657 27.654 296 HH2 TRP 42 HH2 TRP 42 112.263 -5.992 27.995 297 H THR 43 HN THR 43 106.986 -5.144 23.889 298 HA THR 43 HA THR 43 109.225 -3.840 25.334 299 HB THR 43 HB THR 43 108.902 -1.995 23.970 300 HG1 THR 43 HG1 THR 43 107.122 -0.708 24.955 301 HG21 THR 43 HG21 THR 43 106.574 -1.453 23.036 302 HG22 THR 43 HG22 THR 43 106.095 -3.050 23.611 303 HG23 THR 43 HG23 THR 43 107.366 -2.894 22.398 304 H ARG 44 HN ARG 44 108.747 -3.585 27.496 305 HA ARG 44 HA ARG 44 106.075 -3.299 28.523 306 HB2 ARG 44 HB2 ARG 44 106.048 -5.724 27.821 307 HB3 ARG 44 HB1 ARG 44 107.340 -6.016 28.984 308 HG2 ARG 44 HG2 ARG 44 105.953 -5.465 30.832 309 HG3 ARG 44 HG1 ARG 44 104.741 -4.706 29.801 310 HD2 ARG 44 HD2 ARG 44 104.229 -6.907 28.794 311 HD3 ARG 44 HD1 ARG 44 105.418 -7.661 29.857 312 HE ARG 44 HE ARG 44 103.732 -6.343 31.607 313 HH11 ARG 44 HH21 ARG 44 103.363 -8.572 29.002 314 HH12 ARG 44 HH22 ARG 44 101.950 -9.321 29.668 315 HH21 ARG 44 HH11 ARG 44 101.890 -7.306 32.491 316 HH22 ARG 44 HH12 ARG 44 101.116 -8.604 31.644 317 H GLU 45 HN GLU 45 107.851 -1.636 29.288 318 HA GLU 45 HA GLU 45 108.488 -2.356 32.055 319 HB2 GLU 45 HB2 GLU 45 110.452 -3.121 30.495 320 HB3 GLU 45 HB1 GLU 45 110.825 -1.401 30.397 321 HG2 GLU 45 HG2 GLU 45 112.118 -2.249 32.221 322 HG3 GLU 45 HG1 GLU 45 110.769 -1.375 32.949 323 H ALA 46 HN ALA 46 109.265 0.064 29.514 324 HA ALA 46 HA ALA 46 109.449 2.291 31.265 325 HB1 ALA 46 HB1 ALA 46 109.052 3.676 29.286 326 HB2 ALA 46 HB2 ALA 46 108.423 2.280 28.412 327 HB3 ALA 46 HB3 ALA 46 110.126 2.342 28.868 328 H GLY 47 HN GLY 47 106.675 1.343 29.226 329 HA2 GLY 47 HA2 GLY 47 104.518 1.184 30.707 330 HA3 GLY 47 HA1 GLY 47 104.874 2.882 31.043 331 H ALA 48 HN ALA 48 102.498 2.582 29.889 332 HA ALA 48 HA ALA 48 102.303 2.284 27.095 333 HB1 ALA 48 HB1 ALA 48 100.774 4.374 28.659 334 HB2 ALA 48 HB2 ALA 48 100.409 2.652 28.776 335 HB3 ALA 48 HB3 ALA 48 100.242 3.486 27.231 336 H GLY 49 HN GLY 49 102.053 4.068 25.448 337 HA2 GLY 49 HA2 GLY 49 103.038 6.705 25.877 338 HA3 GLY 49 HA1 GLY 49 104.383 5.700 25.339 339 H GLY 50 HN GLY 50 104.559 6.754 23.308 340 HA2 GLY 50 HA2 GLY 50 102.490 5.924 21.336 341 HA3 GLY 50 HA1 GLY 50 102.911 7.635 21.422 342 H LEU 51 HN LEU 51 103.487 5.039 19.610 343 HA LEU 51 HA LEU 51 106.409 5.543 19.207 344 HB2 LEU 51 HB2 LEU 51 105.566 3.179 19.526 345 HB3 LEU 51 HB1 LEU 51 104.648 3.369 18.035 346 HG LEU 51 HG LEU 51 106.978 4.055 17.000 347 HD11 LEU 51 HD11 LEU 51 108.847 2.798 18.091 348 HD12 LEU 51 HD12 LEU 51 107.789 2.482 19.465 349 HD13 LEU 51 HD13 LEU 51 108.255 4.136 19.072 350 HD21 LEU 51 HD21 LEU 51 107.411 1.700 16.447 351 HD22 LEU 51 HD22 LEU 51 105.678 2.023 16.414 352 HD23 LEU 51 HD23 LEU 51 106.392 1.184 17.791 353 H SER 52 HN SER 52 106.527 7.337 17.890 354 HA SER 52 HA SER 52 104.701 7.652 15.599 355 HB2 SER 52 HB2 SER 52 105.233 9.729 16.560 356 HB3 SER 52 HB1 SER 52 106.918 9.284 16.812 357 HG SER 52 HG SER 52 106.342 10.742 14.971 358 H ILE 53 HN ILE 53 105.358 7.297 13.383 359 HA ILE 53 HA ILE 53 108.174 6.335 13.011 360 HB ILE 53 HB ILE 53 105.675 5.049 11.887 361 HG12 ILE 53 HG12 ILE 53 107.734 3.886 13.780 362 HG13 ILE 53 HG11 ILE 53 106.230 4.620 14.335 363 HG21 ILE 53 HG21 ILE 53 107.374 4.851 10.242 364 HG22 ILE 53 HG22 ILE 53 107.417 3.327 11.127 365 HG23 ILE 53 HG23 ILE 53 108.623 4.571 11.454 366 HD11 ILE 53 HD11 ILE 53 106.032 2.153 14.098 367 HD12 ILE 53 HD12 ILE 53 106.407 2.308 12.382 368 HD13 ILE 53 HD13 ILE 53 104.926 3.015 13.029 369 H ALA 54 HN ALA 54 109.122 7.578 11.502 370 HA ALA 54 HA ALA 54 107.423 8.851 9.380 371 HB1 ALA 54 HB1 ALA 54 108.837 10.282 11.011 372 HB2 ALA 54 HB2 ALA 54 108.995 10.618 9.288 373 HB3 ALA 54 HB3 ALA 54 110.234 9.679 10.120 374 H VAL 55 HN VAL 55 107.503 7.494 7.626 375 HA VAL 55 HA VAL 55 110.079 6.160 6.946 376 HB VAL 55 HB VAL 55 108.367 5.204 5.080 377 HG11 VAL 55 HG11 VAL 55 109.578 3.828 6.718 378 HG12 VAL 55 HG12 VAL 55 107.889 3.328 6.631 379 HG13 VAL 55 HG13 VAL 55 108.448 4.313 7.982 380 HG21 VAL 55 HG21 VAL 55 106.540 5.680 7.445 381 HG22 VAL 55 HG22 VAL 55 106.118 5.090 5.837 382 HG23 VAL 55 HG23 VAL 55 106.581 6.774 6.064 383 H GLU 56 HN GLU 56 111.142 6.568 5.026 384 HA GLU 56 HA GLU 56 109.981 8.552 3.136 385 HB2 GLU 56 HB2 GLU 56 111.239 10.054 4.439 386 HB3 GLU 56 HB1 GLU 56 112.510 8.881 4.753 387 HG2 GLU 56 HG2 GLU 56 113.400 9.111 2.550 388 HG3 GLU 56 HG1 GLU 56 111.961 9.931 1.976 389 H GLY 57 HN GLY 57 110.684 8.175 1.006 390 HA2 GLY 57 HA2 GLY 57 112.940 6.826 0.107 391 HA3 GLY 57 HA1 GLY 57 111.789 5.545 0.492 392 HA PRO 58 HA PRO 58 111.078 7.138 -3.851 393 HB2 PRO 58 HB2 PRO 58 110.940 4.374 -4.733 394 HB3 PRO 58 HB1 PRO 58 112.134 5.610 -5.142 395 HG2 PRO 58 HG2 PRO 58 112.532 3.325 -3.450 396 HG3 PRO 58 HG1 PRO 58 113.689 4.625 -3.777 397 HD2 PRO 58 HD2 PRO 58 112.133 4.155 -1.344 398 HD3 PRO 58 HD1 PRO 58 113.432 5.331 -1.611 399 H SER 59 HN SER 59 109.574 4.591 -1.920 400 HA SER 59 HA SER 59 106.914 5.504 -2.941 401 HB2 SER 59 HB2 SER 59 107.582 2.577 -2.612 402 HB3 SER 59 HB1 SER 59 106.154 3.286 -3.363 403 HG SER 59 HG SER 59 107.305 3.791 -5.108 404 H LYS 60 HN LYS 60 105.195 5.145 -1.443 405 HA LYS 60 HA LYS 60 106.055 5.190 1.332 406 HB2 LYS 60 HB2 LYS 60 103.605 5.328 1.820 407 HB3 LYS 60 HB1 LYS 60 104.145 6.541 0.662 408 HG2 LYS 60 HG2 LYS 60 103.454 4.753 -1.139 409 HG3 LYS 60 HG1 LYS 60 102.507 4.059 0.175 410 HD2 LYS 60 HD2 LYS 60 102.321 6.943 -0.742 411 HD3 LYS 60 HD1 LYS 60 101.186 5.667 -1.186 412 HE2 LYS 60 HE2 LYS 60 100.863 5.283 1.325 413 HE3 LYS 60 HE1 LYS 60 101.711 6.811 1.562 414 HZ1 LYS 60 HZ1 LYS 60 99.818 7.248 -0.411 415 HZ2 LYS 60 HZ2 LYS 60 99.804 7.837 1.182 416 HZ3 LYS 60 HZ3 LYS 60 99.025 6.375 0.807 417 H ALA 61 HN ALA 61 106.756 3.297 2.202 418 HA ALA 61 HA ALA 61 105.775 0.722 1.318 419 HB1 ALA 61 HB1 ALA 61 107.382 1.475 3.778 420 HB2 ALA 61 HB2 ALA 61 108.046 0.972 2.224 421 HB3 ALA 61 HB3 ALA 61 107.124 -0.171 3.201 422 H GLU 62 HN GLU 62 104.135 -0.526 2.203 423 HA GLU 62 HA GLU 62 102.266 0.799 3.971 424 HB2 GLU 62 HB2 GLU 62 102.326 -2.138 3.234 425 HB3 GLU 62 HB1 GLU 62 100.948 -1.229 3.846 426 HG2 GLU 62 HG2 GLU 62 100.841 0.116 1.852 427 HG3 GLU 62 HG1 GLU 62 102.363 -0.543 1.258 428 H ILE 63 HN ILE 63 101.478 -0.509 5.980 429 HA ILE 63 HA ILE 63 103.727 -1.742 7.475 430 HB ILE 63 HB ILE 63 102.205 0.755 8.269 431 HG12 ILE 63 HG12 ILE 63 105.154 0.085 8.468 432 HG13 ILE 63 HG11 ILE 63 104.438 0.832 7.041 433 HG21 ILE 63 HG21 ILE 63 103.388 0.426 10.519 434 HG22 ILE 63 HG22 ILE 63 103.635 -1.250 10.031 435 HG23 ILE 63 HG23 ILE 63 101.999 -0.619 10.217 436 HD11 ILE 63 HD11 ILE 63 103.830 2.787 8.227 437 HD12 ILE 63 HD12 ILE 63 105.455 2.414 8.800 438 HD13 ILE 63 HD13 ILE 63 104.055 2.009 9.794 439 H ALA 64 HN ALA 64 102.913 -3.119 9.251 440 HA ALA 64 HA ALA 64 99.971 -3.344 9.477 441 HB1 ALA 64 HB1 ALA 64 99.810 -5.581 8.742 442 HB2 ALA 64 HB2 ALA 64 101.557 -5.815 8.792 443 HB3 ALA 64 HB3 ALA 64 100.838 -4.809 7.535 444 H PHE 65 HN PHE 65 99.686 -3.345 11.653 445 HA PHE 65 HA PHE 65 101.781 -4.431 13.428 446 HB2 PHE 65 HB2 PHE 65 100.391 -3.550 15.241 447 HB3 PHE 65 HB1 PHE 65 100.584 -2.317 13.994 448 HD1 PHE 65 HD1 PHE 65 98.740 -1.901 12.351 449 HD2 PHE 65 HD2 PHE 65 98.247 -4.499 15.736 450 HE1 PHE 65 HE1 PHE 65 96.277 -1.784 12.083 451 HE2 PHE 65 HE2 PHE 65 95.784 -4.381 15.468 452 HZ PHE 65 HZ PHE 65 94.799 -3.024 13.642 453 H GLU 66 HN GLU 66 101.701 -6.471 14.268 454 HA GLU 66 HA GLU 66 99.078 -7.888 14.407 455 HB2 GLU 66 HB2 GLU 66 100.252 -8.496 12.259 456 HB3 GLU 66 HB1 GLU 66 101.576 -9.139 13.231 457 HG2 GLU 66 HG2 GLU 66 99.975 -10.667 14.363 458 HG3 GLU 66 HG1 GLU 66 98.688 -10.060 13.320 459 H ASP 67 HN ASP 67 98.874 -8.723 16.409 460 HA ASP 67 HA ASP 67 101.219 -8.898 18.179 461 HB2 ASP 67 HB2 ASP 67 99.403 -9.716 19.820 462 HB3 ASP 67 HB1 ASP 67 99.273 -8.053 19.247 463 H ARG 68 HN ARG 68 102.432 -10.728 18.236 464 HA ARG 68 HA ARG 68 101.261 -13.278 17.256 465 HB2 ARG 68 HB2 ARG 68 103.520 -12.392 16.454 466 HB3 ARG 68 HB1 ARG 68 104.128 -12.768 18.067 467 HG2 ARG 68 HG2 ARG 68 103.192 -15.122 17.714 468 HG3 ARG 68 HG1 ARG 68 102.993 -14.682 16.019 469 HD2 ARG 68 HD2 ARG 68 105.611 -13.890 16.537 470 HD3 ARG 68 HD1 ARG 68 105.465 -15.361 17.493 471 HE ARG 68 HE ARG 68 105.861 -15.309 14.717 472 HH11 ARG 68 HH21 ARG 68 103.530 -16.607 16.913 473 HH12 ARG 68 HH22 ARG 68 103.017 -17.850 15.827 474 HH21 ARG 68 HH11 ARG 68 105.206 -16.927 13.308 475 HH22 ARG 68 HH12 ARG 68 103.966 -18.035 13.792 476 H LYS 69 HN LYS 69 102.817 -11.891 20.106 477 HA LYS 69 HA LYS 69 101.879 -14.253 21.710 478 HB2 LYS 69 HB2 LYS 69 104.243 -12.478 22.385 479 HB3 LYS 69 HB1 LYS 69 103.807 -14.031 23.103 480 HG2 LYS 69 HG2 LYS 69 104.247 -15.165 20.958 481 HG3 LYS 69 HG1 LYS 69 104.659 -13.620 20.220 482 HD2 LYS 69 HD2 LYS 69 106.774 -14.444 20.784 483 HD3 LYS 69 HD1 LYS 69 106.402 -13.441 22.183 484 HE2 LYS 69 HE2 LYS 69 107.283 -15.665 22.847 485 HE3 LYS 69 HE1 LYS 69 105.636 -15.423 23.423 486 HZ1 LYS 69 HZ1 LYS 69 105.737 -16.557 20.796 487 HZ2 LYS 69 HZ2 LYS 69 104.892 -17.085 22.172 488 HZ3 LYS 69 HZ3 LYS 69 106.516 -17.530 21.946 489 H ASP 70 HN ASP 70 100.961 -11.307 20.989 490 HA ASP 70 HA ASP 70 99.587 -9.779 22.141 491 HB2 ASP 70 HB2 ASP 70 99.229 -12.028 23.601 492 HB3 ASP 70 HB1 ASP 70 100.073 -11.067 24.808 493 H GLY 71 HN GLY 71 102.683 -10.783 23.419 494 HA2 GLY 71 HA2 GLY 71 103.132 -8.092 24.619 495 HA3 GLY 71 HA1 GLY 71 104.085 -9.532 24.959 496 H SER 72 HN SER 72 104.102 -10.197 22.009 497 HA SER 72 HA SER 72 106.404 -8.443 21.315 498 HB2 SER 72 HB2 SER 72 106.950 -10.144 19.666 499 HB3 SER 72 HB1 SER 72 106.632 -10.937 21.206 500 HG SER 72 HG SER 72 104.857 -11.787 20.406 501 H CYS 73 HN CYS 73 105.924 -6.685 20.091 502 HA CYS 73 HA CYS 73 103.473 -6.626 18.458 503 HB2 CYS 73 HB2 CYS 73 105.641 -4.518 18.659 504 HB3 CYS 73 HB1 CYS 73 103.979 -4.297 18.112 505 HG CYS 73 HG CYS 73 103.493 -5.223 20.754 506 H GLY 74 HN GLY 74 103.504 -7.438 16.436 507 HA2 GLY 74 HA2 GLY 74 106.079 -7.579 14.937 508 HA3 GLY 74 HA1 GLY 74 104.624 -8.507 14.567 509 H VAL 75 HN VAL 75 106.448 -5.985 13.496 510 HA VAL 75 HA VAL 75 104.103 -4.506 12.315 511 HB VAL 75 HB VAL 75 106.987 -3.612 12.449 512 HG11 VAL 75 HG11 VAL 75 105.432 -2.575 10.751 513 HG12 VAL 75 HG12 VAL 75 106.078 -1.433 11.929 514 HG13 VAL 75 HG13 VAL 75 104.427 -2.032 12.094 515 HG21 VAL 75 HG21 VAL 75 106.203 -3.889 14.729 516 HG22 VAL 75 HG22 VAL 75 104.678 -3.092 14.343 517 HG23 VAL 75 HG23 VAL 75 106.181 -2.168 14.346 518 H SER 76 HN SER 76 103.660 -5.585 10.422 519 HA SER 76 HA SER 76 105.886 -6.422 8.661 520 HB2 SER 76 HB2 SER 76 104.409 -8.028 7.997 521 HB3 SER 76 HB1 SER 76 103.257 -7.382 9.157 522 HG SER 76 HG SER 76 102.953 -7.427 6.615 523 H TYR 77 HN TYR 77 106.285 -5.461 6.650 524 HA TYR 77 HA TYR 77 104.560 -3.167 5.822 525 HB2 TYR 77 HB2 TYR 77 106.519 -1.705 5.589 526 HB3 TYR 77 HB1 TYR 77 106.449 -2.293 7.248 527 HD1 TYR 77 HD2 TYR 77 107.773 -4.525 7.715 528 HD2 TYR 77 HD1 TYR 77 108.506 -1.929 4.373 529 HE1 TYR 77 HE2 TYR 77 110.030 -5.497 7.452 530 HE2 TYR 77 HE1 TYR 77 110.771 -2.900 4.116 531 HH TYR 77 HH TYR 77 112.451 -4.105 5.785 532 H VAL 78 HN VAL 78 105.390 -2.366 3.559 533 HA VAL 78 HA VAL 78 106.715 -4.574 2.034 534 HB VAL 78 HB VAL 78 104.143 -4.792 1.995 535 HG11 VAL 78 HG11 VAL 78 102.872 -3.297 0.701 536 HG12 VAL 78 HG12 VAL 78 104.294 -2.611 -0.084 537 HG13 VAL 78 HG13 VAL 78 103.944 -2.226 1.598 538 HG21 VAL 78 HG21 VAL 78 104.175 -5.353 -0.432 539 HG22 VAL 78 HG22 VAL 78 105.604 -5.954 0.409 540 HG23 VAL 78 HG23 VAL 78 105.713 -4.503 -0.587 541 H VAL 79 HN VAL 79 108.317 -3.677 0.889 542 HA VAL 79 HA VAL 79 108.283 -0.786 0.277 543 HB VAL 79 HB VAL 79 110.587 -1.328 -0.674 544 HG11 VAL 79 HG11 VAL 79 111.442 -2.011 1.746 545 HG12 VAL 79 HG12 VAL 79 109.757 -1.781 2.196 546 HG13 VAL 79 HG13 VAL 79 110.673 -0.445 1.500 547 HG21 VAL 79 HG21 VAL 79 111.510 -3.511 -0.284 548 HG22 VAL 79 HG22 VAL 79 109.946 -3.772 -1.053 549 HG23 VAL 79 HG23 VAL 79 110.122 -4.000 0.687 550 H GLN 80 HN GLN 80 108.507 -0.005 -1.952 551 HA GLN 80 HA GLN 80 107.149 -1.815 -3.880 552 HB2 GLN 80 HB2 GLN 80 106.444 0.639 -3.364 553 HB3 GLN 80 HB1 GLN 80 107.807 1.083 -4.390 554 HG2 GLN 80 HG2 GLN 80 106.856 -0.397 -6.186 555 HG3 GLN 80 HG1 GLN 80 105.436 -0.637 -5.170 556 HE21 GLN 80 HE21 GLN 80 103.987 0.508 -6.621 557 HE22 GLN 80 HE22 GLN 80 104.090 2.187 -6.846 558 H GLU 81 HN GLU 81 110.076 0.291 -3.758 559 HA GLU 81 HA GLU 81 111.361 -1.578 -5.642 560 HB2 GLU 81 HB2 GLU 81 110.896 1.347 -6.268 561 HB3 GLU 81 HB1 GLU 81 112.040 0.351 -7.152 562 HG2 GLU 81 HG2 GLU 81 109.048 -0.105 -6.956 563 HG3 GLU 81 HG1 GLU 81 109.928 0.465 -8.366 564 HA PRO 82 HA PRO 82 115.165 -0.947 -3.484 565 HB2 PRO 82 HB2 PRO 82 116.282 -0.088 -6.114 566 HB3 PRO 82 HB1 PRO 82 116.918 -1.264 -4.948 567 HG2 PRO 82 HG2 PRO 82 115.578 -2.015 -7.226 568 HG3 PRO 82 HG1 PRO 82 115.595 -2.958 -5.744 569 HD2 PRO 82 HD2 PRO 82 113.331 -1.525 -6.908 570 HD3 PRO 82 HD1 PRO 82 113.348 -2.704 -5.593 571 H GLY 83 HN GLY 83 116.739 0.675 -2.961 572 HA2 GLY 83 HA2 GLY 83 117.226 3.204 -3.636 573 HA3 GLY 83 HA1 GLY 83 115.562 3.410 -3.082 574 H ASP 84 HN ASP 84 116.613 4.842 -1.456 575 HA ASP 84 HA ASP 84 117.866 3.329 0.808 576 HB2 ASP 84 HB2 ASP 84 117.813 6.330 0.406 577 HB3 ASP 84 HB1 ASP 84 118.827 5.407 1.516 578 H TYR 85 HN TYR 85 115.878 2.591 1.714 579 HA TYR 85 HA TYR 85 113.743 4.501 2.300 580 HB2 TYR 85 HB2 TYR 85 114.204 1.583 2.595 581 HB3 TYR 85 HB1 TYR 85 113.167 2.285 3.835 582 HD1 TYR 85 HD2 TYR 85 111.075 3.451 3.195 583 HD2 TYR 85 HD1 TYR 85 113.496 1.391 0.310 584 HE1 TYR 85 HE2 TYR 85 109.187 3.475 1.599 585 HE2 TYR 85 HE1 TYR 85 111.610 1.414 -1.293 586 HH TYR 85 HH TYR 85 109.281 3.261 -1.366 587 H GLU 86 HN GLU 86 113.574 5.686 4.102 588 HA GLU 86 HA GLU 86 115.517 5.203 6.346 589 HB2 GLU 86 HB2 GLU 86 114.505 7.901 6.450 590 HB3 GLU 86 HB1 GLU 86 116.151 7.384 6.113 591 HG2 GLU 86 HG2 GLU 86 114.054 7.393 3.935 592 HG3 GLU 86 HG1 GLU 86 114.946 8.848 4.339 593 H VAL 87 HN VAL 87 114.635 4.778 8.285 594 HA VAL 87 HA VAL 87 111.739 5.418 8.735 595 HB VAL 87 HB VAL 87 112.315 2.977 8.336 596 HG11 VAL 87 HG11 VAL 87 113.486 3.106 11.117 597 HG12 VAL 87 HG12 VAL 87 114.493 3.179 9.670 598 HG13 VAL 87 HG13 VAL 87 113.505 1.752 9.987 599 HG21 VAL 87 HG21 VAL 87 110.909 2.208 10.219 600 HG22 VAL 87 HG22 VAL 87 110.274 3.700 9.526 601 HG23 VAL 87 HG23 VAL 87 111.174 3.745 11.042 602 H SER 88 HN SER 88 111.250 6.331 10.703 603 HA SER 88 HA SER 88 113.444 6.620 12.715 604 HB2 SER 88 HB2 SER 88 113.074 8.931 12.950 605 HB3 SER 88 HB1 SER 88 113.003 8.693 11.206 606 HG SER 88 HG SER 88 111.234 9.918 11.990 607 H ILE 89 HN ILE 89 112.619 5.272 14.250 608 HA ILE 89 HA ILE 89 109.788 5.699 15.108 609 HB ILE 89 HB ILE 89 109.679 3.445 15.698 610 HG12 ILE 89 HG12 ILE 89 112.700 3.559 15.789 611 HG13 ILE 89 HG11 ILE 89 111.594 3.177 17.103 612 HG21 ILE 89 HG21 ILE 89 111.674 3.330 13.433 613 HG22 ILE 89 HG22 ILE 89 110.031 3.927 13.205 614 HG23 ILE 89 HG23 ILE 89 110.299 2.265 13.726 615 HD11 ILE 89 HD11 ILE 89 112.421 1.064 16.464 616 HD12 ILE 89 HD12 ILE 89 112.367 1.461 14.747 617 HD13 ILE 89 HD13 ILE 89 110.870 1.162 15.631 618 H LYS 90 HN LYS 90 109.380 6.326 17.166 619 HA LYS 90 HA LYS 90 111.543 6.249 19.204 620 HB2 LYS 90 HB2 LYS 90 110.985 8.548 19.859 621 HB3 LYS 90 HB1 LYS 90 111.556 8.523 18.203 622 HG2 LYS 90 HG2 LYS 90 108.872 8.161 17.783 623 HG3 LYS 90 HG1 LYS 90 108.819 9.097 19.263 624 HD2 LYS 90 HD2 LYS 90 108.781 10.730 17.550 625 HD3 LYS 90 HD1 LYS 90 110.458 10.719 18.095 626 HE2 LYS 90 HE2 LYS 90 109.753 8.837 15.878 627 HE3 LYS 90 HE1 LYS 90 109.816 10.552 15.483 628 HZ1 LYS 90 HZ1 LYS 90 111.984 10.034 15.206 629 HZ2 LYS 90 HZ2 LYS 90 111.958 8.765 16.335 630 HZ3 LYS 90 HZ3 LYS 90 112.031 10.377 16.866 631 H PHE 91 HN PHE 91 110.621 5.274 21.006 632 HA PHE 91 HA PHE 91 107.671 5.113 21.120 633 HB2 PHE 91 HB2 PHE 91 109.011 3.154 21.780 634 HB3 PHE 91 HB1 PHE 91 109.749 4.087 23.070 635 HD1 PHE 91 HD1 PHE 91 106.416 3.042 21.751 636 HD2 PHE 91 HD2 PHE 91 108.720 4.162 25.199 637 HE1 PHE 91 HE1 PHE 91 104.488 2.504 23.213 638 HE2 PHE 91 HE2 PHE 91 106.790 3.623 26.662 639 HZ PHE 91 HZ PHE 91 104.674 2.794 25.666 640 H ASN 92 HN ASN 92 106.839 7.098 21.579 641 HA ASN 92 HA ASN 92 106.194 8.883 22.940 642 HB2 ASN 92 HB2 ASN 92 106.665 7.009 24.777 643 HB3 ASN 92 HB1 ASN 92 108.055 8.027 25.149 644 HD21 ASN 92 HD21 ASN 92 106.326 10.437 24.170 645 HD22 ASN 92 HD22 ASN 92 105.346 10.780 25.513 646 H ASP 93 HN ASP 93 108.393 9.026 21.083 647 HA ASP 93 HA ASP 93 109.860 10.729 20.444 648 HB2 ASP 93 HB2 ASP 93 109.950 11.886 23.212 649 HB3 ASP 93 HB1 ASP 93 110.089 12.680 21.646 650 H GLU 94 HN GLU 94 110.579 8.151 22.205 651 HA GLU 94 HA GLU 94 113.367 9.067 22.863 652 HB2 GLU 94 HB2 GLU 94 113.619 7.026 24.115 653 HB3 GLU 94 HB1 GLU 94 112.119 7.802 24.611 654 HG2 GLU 94 HG2 GLU 94 111.103 6.251 22.677 655 HG3 GLU 94 HG1 GLU 94 112.524 5.287 23.038 656 H HIS 95 HN HIS 95 114.268 9.181 20.863 657 HA HIS 95 HA HIS 95 113.811 7.276 18.765 658 HB2 HIS 95 HB2 HIS 95 115.905 8.399 17.780 659 HB3 HIS 95 HB1 HIS 95 114.516 9.437 18.097 660 HD1 HIS 95 HD1 HIS 95 116.339 8.333 21.106 661 HD2 HIS 95 HD2 HIS 95 116.474 11.581 18.497 662 HE1 HIS 95 HE1 HIS 95 117.711 10.123 22.260 663 H ILE 96 HN ILE 96 114.437 5.216 18.922 664 HA ILE 96 HA ILE 96 116.458 4.172 20.607 665 HB ILE 96 HB ILE 96 115.450 3.101 17.945 666 HG12 ILE 96 HG12 ILE 96 114.461 2.754 20.790 667 HG13 ILE 96 HG11 ILE 96 113.606 3.535 19.461 668 HG21 ILE 96 HG21 ILE 96 116.171 0.930 18.673 669 HG22 ILE 96 HG22 ILE 96 116.582 1.533 20.275 670 HG23 ILE 96 HG23 ILE 96 117.546 2.009 18.875 671 HD11 ILE 96 HD11 ILE 96 112.636 1.409 19.467 672 HD12 ILE 96 HD12 ILE 96 114.149 0.612 19.899 673 HD13 ILE 96 HD13 ILE 96 113.907 1.215 18.260 674 HA PRO 97 HA PRO 97 120.197 5.727 18.695 675 HB2 PRO 97 HB2 PRO 97 121.396 3.024 18.924 676 HB3 PRO 97 HB1 PRO 97 121.935 4.553 19.635 677 HG2 PRO 97 HG2 PRO 97 120.607 2.462 21.017 678 HG3 PRO 97 HG1 PRO 97 120.866 4.104 21.622 679 HD2 PRO 97 HD2 PRO 97 118.359 2.889 20.833 680 HD3 PRO 97 HD1 PRO 97 118.615 4.526 21.461 681 H ASP 98 HN ASP 98 118.466 2.922 17.609 682 HA ASP 98 HA ASP 98 119.834 2.535 15.087 683 HB2 ASP 98 HB2 ASP 98 117.004 1.897 15.956 684 HB3 ASP 98 HB1 ASP 98 117.710 1.380 14.421 685 H SER 99 HN SER 99 116.594 3.853 15.631 686 HA SER 99 HA SER 99 116.445 5.101 13.122 687 HB2 SER 99 HB2 SER 99 114.732 6.613 14.599 688 HB3 SER 99 HB1 SER 99 114.354 4.971 14.080 689 HG SER 99 HG SER 99 115.759 4.654 16.216 690 HA PRO 100 HA PRO 100 115.844 6.802 11.950 691 HB2 PRO 100 HB2 PRO 100 117.071 8.643 10.255 692 HB3 PRO 100 HB1 PRO 100 115.703 9.013 11.314 693 HG2 PRO 100 HG2 PRO 100 118.507 9.884 11.571 694 HG3 PRO 100 HG1 PRO 100 117.072 10.501 12.405 695 HD2 PRO 100 HD2 PRO 100 119.099 8.709 13.457 696 HD3 PRO 100 HD1 PRO 100 117.668 9.343 14.295 697 H PHE 101 HN PHE 101 116.652 4.769 11.049 698 HA PHE 101 HA PHE 101 119.436 4.876 9.881 699 HB2 PHE 101 HB2 PHE 101 119.555 2.450 10.103 700 HB3 PHE 101 HB1 PHE 101 119.270 3.208 11.663 701 HD1 PHE 101 HD2 PHE 101 117.796 1.119 8.996 702 HD2 PHE 101 HD1 PHE 101 117.160 2.957 12.791 703 HE1 PHE 101 HE2 PHE 101 115.811 -0.320 9.382 704 HE2 PHE 101 HE1 PHE 101 115.213 1.535 13.202 705 HZ PHE 101 HZ PHE 101 114.513 -0.114 11.481 706 H VAL 102 HN VAL 102 119.774 3.580 7.917 707 HA VAL 102 HA VAL 102 117.517 4.015 6.061 708 HB VAL 102 HB VAL 102 119.707 4.891 5.426 709 HG11 VAL 102 HG11 VAL 102 121.591 3.382 5.011 710 HG12 VAL 102 HG12 VAL 102 120.615 1.998 5.499 711 HG13 VAL 102 HG13 VAL 102 121.058 3.225 6.684 712 HG21 VAL 102 HG21 VAL 102 119.115 2.464 3.714 713 HG22 VAL 102 HG22 VAL 102 119.781 4.013 3.196 714 HG23 VAL 102 HG23 VAL 102 118.097 3.904 3.708 715 H VAL 103 HN VAL 103 116.828 2.388 4.577 716 HA VAL 103 HA VAL 103 117.426 -0.444 5.363 717 HB VAL 103 HB VAL 103 114.761 0.834 4.712 718 HG11 VAL 103 HG11 VAL 103 115.620 -2.061 4.836 719 HG12 VAL 103 HG12 VAL 103 114.656 -1.257 3.599 720 HG13 VAL 103 HG13 VAL 103 113.955 -1.591 5.179 721 HG21 VAL 103 HG21 VAL 103 115.764 0.948 7.069 722 HG22 VAL 103 HG22 VAL 103 115.577 -0.805 7.116 723 HG23 VAL 103 HG23 VAL 103 114.159 0.228 6.941 724 HA PRO 104 HA PRO 104 118.290 0.355 0.883 725 HB2 PRO 104 HB2 PRO 104 120.160 -1.868 0.937 726 HB3 PRO 104 HB1 PRO 104 120.512 -0.145 0.749 727 HG2 PRO 104 HG2 PRO 104 121.054 -1.759 3.052 728 HG3 PRO 104 HG1 PRO 104 121.253 -0.006 2.912 729 HD2 PRO 104 HD2 PRO 104 119.182 -1.494 4.351 730 HD3 PRO 104 HD1 PRO 104 119.518 0.250 4.394 731 H VAL 105 HN VAL 105 116.625 -0.433 -0.319 732 HA VAL 105 HA VAL 105 115.870 -3.315 -0.125 733 HB VAL 105 HB VAL 105 114.567 -0.890 -1.394 734 HG11 VAL 105 HG11 VAL 105 113.577 -3.754 -1.369 735 HG12 VAL 105 HG12 VAL 105 114.133 -2.895 -2.799 736 HG13 VAL 105 HG13 VAL 105 112.676 -2.366 -1.964 737 HG21 VAL 105 HG21 VAL 105 114.514 -1.329 1.145 738 HG22 VAL 105 HG22 VAL 105 113.447 -2.674 0.747 739 HG23 VAL 105 HG23 VAL 105 112.982 -1.027 0.328 740 H ALA 106 HN ALA 106 116.140 -4.678 -1.998 741 HA ALA 106 HA ALA 106 117.527 -3.455 -4.373 742 HB1 ALA 106 HB1 ALA 106 118.455 -6.108 -3.363 743 HB2 ALA 106 HB2 ALA 106 118.936 -4.669 -2.468 744 HB3 ALA 106 HB3 ALA 106 119.355 -4.821 -4.170 745 H SER 107 HN SER 107 116.802 -4.209 -6.306 746 HA SER 107 HA SER 107 114.701 -6.269 -6.374 747 HB2 SER 107 HB2 SER 107 114.316 -5.573 -8.616 748 HB3 SER 107 HB1 SER 107 114.735 -4.088 -7.775 749 HG SER 107 HG SER 107 115.856 -4.551 -9.827 750 H LEU 108 HN LEU 108 116.597 -7.665 -5.505 751 HA LEU 108 HA LEU 108 117.778 -9.661 -5.968 752 HB2 LEU 108 HB2 LEU 108 116.341 -9.474 -8.257 753 HB3 LEU 108 HB1 LEU 108 117.930 -9.102 -8.921 754 HG LEU 108 HG LEU 108 118.688 -11.236 -7.550 755 HD11 LEU 108 HD11 LEU 108 117.013 -12.879 -7.170 756 HD12 LEU 108 HD12 LEU 108 115.809 -11.984 -8.095 757 HD13 LEU 108 HD13 LEU 108 116.330 -11.390 -6.521 758 HD21 LEU 108 HD21 LEU 108 117.036 -11.417 -10.092 759 HD22 LEU 108 HD22 LEU 108 118.159 -12.652 -9.521 760 HD23 LEU 108 HD23 LEU 108 118.763 -11.066 -10.001 761 H SER 109 HN SER 109 118.448 -6.503 -6.935 762 HA SER 109 HA SER 109 121.187 -6.746 -7.778 763 HB2 SER 109 HB2 SER 109 119.726 -4.740 -8.131 764 HB3 SER 109 HB1 SER 109 119.866 -4.404 -6.410 765 HG SER 109 HG SER 109 122.092 -4.769 -8.131 766 H ASP 110 HN ASP 110 119.589 -6.845 -4.702 767 HA ASP 110 HA ASP 110 120.449 -7.040 -2.514 768 HB2 ASP 110 HB2 ASP 110 122.886 -8.122 -3.966 769 HB3 ASP 110 HB1 ASP 110 122.428 -8.436 -2.292 770 H ASP 111 HN ASP 111 121.279 -4.809 -4.531 771 HA ASP 111 HA ASP 111 122.758 -3.204 -2.634 772 HB2 ASP 111 HB2 ASP 111 124.168 -4.401 -5.023 773 HB3 ASP 111 HB1 ASP 111 124.671 -2.838 -4.380 774 H ALA 112 HN ALA 112 121.425 -3.721 -5.884 775 HA ALA 112 HA ALA 112 120.478 -2.172 -7.381 776 HB1 ALA 112 HB1 ALA 112 119.177 -1.786 -5.177 777 HB2 ALA 112 HB2 ALA 112 119.091 -0.525 -6.406 778 HB3 ALA 112 HB3 ALA 112 120.154 -0.328 -5.012 779 H ARG 113 HN ARG 113 122.650 -1.827 -8.321 780 HA ARG 113 HA ARG 113 124.387 0.266 -7.401 781 HB2 ARG 113 HB2 ARG 113 124.157 -1.474 -9.799 782 HB3 ARG 113 HB1 ARG 113 124.952 0.069 -10.102 783 HG2 ARG 113 HG2 ARG 113 126.546 -0.360 -8.303 784 HG3 ARG 113 HG1 ARG 113 125.732 -1.868 -7.897 785 HD2 ARG 113 HD2 ARG 113 126.183 -2.440 -10.442 786 HD3 ARG 113 HD1 ARG 113 127.443 -1.219 -10.288 787 HE ARG 113 HE ARG 113 127.614 -3.905 -9.369 788 HH11 ARG 113 HH21 ARG 113 128.193 -0.697 -8.224 789 HH12 ARG 113 HH22 ARG 113 129.190 -1.215 -6.911 790 HH21 ARG 113 HH11 ARG 113 128.930 -4.579 -7.682 791 HH22 ARG 113 HH12 ARG 113 129.617 -3.404 -6.610 792 H ARG 114 HN ARG 114 124.847 1.935 -9.546 793 HA ARG 114 HA ARG 114 122.247 3.301 -10.113 794 HB2 ARG 114 HB2 ARG 114 123.412 4.261 -8.054 795 HB3 ARG 114 HB1 ARG 114 124.726 4.739 -9.130 796 HG2 ARG 114 HG2 ARG 114 123.334 6.240 -10.341 797 HG3 ARG 114 HG1 ARG 114 121.860 5.545 -9.669 798 HD2 ARG 114 HD2 ARG 114 123.961 7.073 -8.105 799 HD3 ARG 114 HD1 ARG 114 122.387 7.700 -8.594 800 HE ARG 114 HE ARG 114 121.768 5.404 -7.174 801 HH11 ARG 114 HH21 ARG 114 123.656 8.240 -6.642 802 HH12 ARG 114 HH22 ARG 114 123.386 8.260 -4.931 803 HH21 ARG 114 HH11 ARG 114 121.407 5.413 -4.943 804 HH22 ARG 114 HH12 ARG 114 122.113 6.659 -3.969 805 H LEU 115 HN LEU 115 124.935 1.936 -11.307 806 HA LEU 115 HA LEU 115 125.074 3.763 -13.688 807 HB2 LEU 115 HB2 LEU 115 127.360 2.077 -12.633 808 HB3 LEU 115 HB1 LEU 115 127.427 3.290 -13.908 809 HG LEU 115 HG LEU 115 126.691 3.909 -11.031 810 HD11 LEU 115 HD11 LEU 115 128.967 4.811 -10.828 811 HD12 LEU 115 HD12 LEU 115 129.331 4.291 -12.474 812 HD13 LEU 115 HD13 LEU 115 129.020 3.092 -11.219 813 HD21 LEU 115 HD21 LEU 115 125.827 5.606 -12.471 814 HD22 LEU 115 HD22 LEU 115 127.262 5.575 -13.495 815 HD23 LEU 115 HD23 LEU 115 127.354 6.249 -11.869 816 H THR 116 HN THR 116 124.958 0.520 -12.416 817 HA THR 116 HA THR 116 124.860 -0.630 -15.176 818 HB THR 116 HB THR 116 125.185 -2.063 -12.525 819 HG1 THR 116 HG1 THR 116 127.080 -1.333 -14.502 820 HG21 THR 116 HG21 THR 116 125.970 -3.910 -14.077 821 HG22 THR 116 HG22 THR 116 125.353 -2.940 -15.414 822 HG23 THR 116 HG23 THR 116 124.250 -3.533 -14.172 823 H VAL 117 HN VAL 117 123.483 -1.651 -12.090 824 HA VAL 117 HA VAL 117 120.955 -2.397 -13.260 825 HB VAL 117 HB VAL 117 121.832 -1.808 -10.419 826 HG11 VAL 117 HG11 VAL 117 119.507 -1.398 -10.331 827 HG12 VAL 117 HG12 VAL 117 119.637 -3.097 -9.883 828 HG13 VAL 117 HG13 VAL 117 119.148 -2.651 -11.519 829 HG21 VAL 117 HG21 VAL 117 121.124 -4.419 -11.794 830 HG22 VAL 117 HG22 VAL 117 121.783 -4.232 -10.168 831 HG23 VAL 117 HG23 VAL 117 122.771 -3.827 -11.572 832 H THR 118 HN THR 118 122.465 0.470 -12.797 833 HA THR 118 HA THR 118 121.820 2.666 -12.325 834 HB THR 118 HB THR 118 121.685 2.183 -14.782 835 HG1 THR 118 HG1 THR 118 121.265 4.269 -13.562 836 HG21 THR 118 HG21 THR 118 119.325 0.933 -14.311 837 HG22 THR 118 HG22 THR 118 119.714 1.663 -15.861 838 HG23 THR 118 HG23 THR 118 118.725 2.541 -14.700 839 H SER 119 HN SER 119 120.850 1.961 -10.244 840 HA SER 119 HA SER 119 119.122 2.048 -8.685 841 HB2 SER 119 HB2 SER 119 118.839 4.325 -8.906 842 HB3 SER 119 HB1 SER 119 118.669 4.223 -10.656 843 HG SER 119 HG SER 119 116.651 4.638 -10.035 844 H1 MET 1 HT1 MET 1 124.028 21.888 -15.199 845 H2 MET 1 HT2 MET 1 123.801 20.511 -14.229 846 H3 MET 1 HT3 MET 1 124.911 20.475 -15.515 847 HA MET 1 HA MET 1 126.323 22.068 -14.417 848 HB2 MET 1 HB2 MET 1 124.392 23.235 -13.286 849 HB3 MET 1 HB1 MET 1 124.335 21.898 -12.136 850 HG2 MET 1 HG2 MET 1 126.582 22.360 -11.379 851 HG3 MET 1 HG1 MET 1 126.819 23.550 -12.659 852 HE1 MET 1 HE1 MET 1 127.656 24.439 -10.084 853 HE2 MET 1 HE2 MET 1 126.628 23.378 -9.123 854 HE3 MET 1 HE3 MET 1 126.515 25.124 -8.918 855 H ALA 2 HN ALA 2 124.531 19.869 -12.217 856 HA ALA 2 HA ALA 2 126.723 17.921 -12.312 857 HB1 ALA 2 HB1 ALA 2 127.486 19.700 -10.681 858 HB2 ALA 2 HB2 ALA 2 127.355 18.082 -9.990 859 HB3 ALA 2 HB3 ALA 2 126.098 19.279 -9.677 860 H SER 3 HN SER 3 126.027 15.891 -11.608 861 HA SER 3 HA SER 3 123.193 15.443 -11.450 862 HB2 SER 3 HB2 SER 3 123.946 13.106 -10.707 863 HB3 SER 3 HB1 SER 3 124.523 13.648 -12.280 864 HG SER 3 HG SER 3 126.061 14.288 -10.047 865 H LYS 4 HN LYS 4 122.648 16.938 -9.675 866 HA LYS 4 HA LYS 4 123.670 16.439 -7.012 867 HB2 LYS 4 HB2 LYS 4 121.503 17.911 -6.477 868 HB3 LYS 4 HB1 LYS 4 122.925 18.638 -7.224 869 HG2 LYS 4 HG2 LYS 4 121.958 18.588 -9.387 870 HG3 LYS 4 HG1 LYS 4 120.702 17.453 -8.890 871 HD2 LYS 4 HD2 LYS 4 119.699 19.168 -7.444 872 HD3 LYS 4 HD1 LYS 4 120.972 20.305 -7.890 873 HE2 LYS 4 HE2 LYS 4 120.249 19.992 -10.306 874 HE3 LYS 4 HE1 LYS 4 118.844 19.124 -9.689 875 HZ1 LYS 4 HZ1 LYS 4 118.564 21.584 -10.104 876 HZ2 LYS 4 HZ2 LYS 4 119.559 21.837 -8.749 877 HZ3 LYS 4 HZ3 LYS 4 118.078 21.021 -8.580 878 HA PRO 5 HA PRO 5 121.067 13.097 -5.734 879 HB2 PRO 5 HB2 PRO 5 120.142 14.322 -3.264 880 HB3 PRO 5 HB1 PRO 5 121.376 13.070 -3.465 881 HG2 PRO 5 HG2 PRO 5 121.774 15.886 -2.851 882 HG3 PRO 5 HG1 PRO 5 122.995 14.610 -2.956 883 HD2 PRO 5 HD2 PRO 5 122.601 16.744 -4.817 884 HD3 PRO 5 HD1 PRO 5 123.682 15.350 -5.008 885 H GLU 6 HN GLU 6 118.644 12.918 -4.649 886 HA GLU 6 HA GLU 6 116.880 15.084 -5.613 887 HB2 GLU 6 HB2 GLU 6 117.345 13.509 -7.567 888 HB3 GLU 6 HB1 GLU 6 116.501 12.263 -6.646 889 HG2 GLU 6 HG2 GLU 6 114.486 13.643 -6.559 890 HG3 GLU 6 HG1 GLU 6 115.322 14.956 -7.390 891 H LYS 7 HN LYS 7 115.197 15.266 -4.209 892 HA LYS 7 HA LYS 7 114.961 13.652 -1.890 893 HB2 LYS 7 HB2 LYS 7 112.730 14.729 -1.613 894 HB3 LYS 7 HB1 LYS 7 113.992 15.900 -1.996 895 HG2 LYS 7 HG2 LYS 7 113.318 15.662 -4.434 896 HG3 LYS 7 HG1 LYS 7 111.917 14.748 -3.878 897 HD2 LYS 7 HD2 LYS 7 112.616 17.593 -3.086 898 HD3 LYS 7 HD1 LYS 7 111.321 17.114 -4.182 899 HE2 LYS 7 HE2 LYS 7 111.522 16.684 -1.206 900 HE3 LYS 7 HE1 LYS 7 110.209 17.413 -2.128 901 HZ1 LYS 7 HZ1 LYS 7 110.962 14.553 -1.984 902 HZ2 LYS 7 HZ2 LYS 7 109.927 15.164 -3.186 903 HZ3 LYS 7 HZ3 LYS 7 109.488 15.268 -1.548 904 H ARG 8 HN ARG 8 113.734 11.825 -1.428 905 HA ARG 8 HA ARG 8 112.544 10.418 -3.770 906 HB2 ARG 8 HB2 ARG 8 112.938 9.335 -0.965 907 HB3 ARG 8 HB1 ARG 8 112.690 8.427 -2.454 908 HG2 ARG 8 HG2 ARG 8 114.849 8.997 -3.282 909 HG3 ARG 8 HG1 ARG 8 115.095 10.204 -2.030 910 HD2 ARG 8 HD2 ARG 8 114.678 7.287 -1.406 911 HD3 ARG 8 HD1 ARG 8 116.280 7.952 -1.688 912 HE ARG 8 HE ARG 8 114.713 8.126 0.735 913 HH11 ARG 8 HH21 ARG 8 116.785 10.033 -1.268 914 HH12 ARG 8 HH22 ARG 8 117.114 11.193 -0.025 915 HH21 ARG 8 HH11 ARG 8 115.144 9.617 2.346 916 HH22 ARG 8 HH12 ARG 8 116.189 10.959 2.014 917 H VAL 9 HN VAL 9 110.418 9.227 -3.240 918 HA VAL 9 HA VAL 9 108.408 11.068 -2.514 919 HB VAL 9 HB VAL 9 108.486 8.052 -2.551 920 HG11 VAL 9 HG11 VAL 9 105.937 8.230 -2.375 921 HG12 VAL 9 HG12 VAL 9 106.196 9.864 -1.762 922 HG13 VAL 9 HG13 VAL 9 106.834 8.479 -0.876 923 HG21 VAL 9 HG21 VAL 9 107.052 10.119 -4.241 924 HG22 VAL 9 HG22 VAL 9 107.016 8.376 -4.502 925 HG23 VAL 9 HG23 VAL 9 108.525 9.266 -4.700 926 H ALA 10 HN ALA 10 107.054 11.075 -0.524 927 HA ALA 10 HA ALA 10 108.649 10.359 1.927 928 HB1 ALA 10 HB1 ALA 10 108.439 12.824 1.407 929 HB2 ALA 10 HB2 ALA 10 107.803 12.345 2.981 930 HB3 ALA 10 HB3 ALA 10 106.699 12.656 1.641 931 H SER 11 HN SER 11 107.503 9.583 3.713 932 HA SER 11 HA SER 11 104.575 9.117 3.427 933 HB2 SER 11 HB2 SER 11 105.368 7.045 2.588 934 HB3 SER 11 HB1 SER 11 106.698 6.989 3.739 935 HG SER 11 HG SER 11 104.664 7.118 5.260 936 H SER 12 HN SER 12 103.527 9.104 5.446 937 HA SER 12 HA SER 12 105.206 9.073 7.903 938 HB2 SER 12 HB2 SER 12 104.004 11.147 8.703 939 HB3 SER 12 HB1 SER 12 105.140 11.424 7.386 940 HG SER 12 HG SER 12 102.378 10.914 6.995 941 H VAL 13 HN VAL 13 104.220 7.889 9.429 942 HA VAL 13 HA VAL 13 101.409 7.997 10.011 943 HB VAL 13 HB VAL 13 101.248 6.686 7.944 944 HG11 VAL 13 HG11 VAL 13 103.570 5.784 8.034 945 HG12 VAL 13 HG12 VAL 13 102.363 4.537 7.716 946 HG13 VAL 13 HG13 VAL 13 103.061 4.699 9.328 947 HG21 VAL 13 HG21 VAL 13 100.893 4.697 10.181 948 HG22 VAL 13 HG22 VAL 13 99.860 4.984 8.783 949 HG23 VAL 13 HG23 VAL 13 99.887 6.145 10.109 950 H PHE 14 HN PHE 14 100.874 6.145 11.639 951 HA PHE 14 HA PHE 14 103.004 4.685 12.861 952 HB2 PHE 14 HB2 PHE 14 103.451 5.963 14.806 953 HB3 PHE 14 HB1 PHE 14 103.753 6.999 13.444 954 HD1 PHE 14 HD2 PHE 14 101.586 8.371 12.619 955 HD2 PHE 14 HD1 PHE 14 102.227 6.856 16.587 956 HE1 PHE 14 HE2 PHE 14 99.994 10.036 13.514 957 HE2 PHE 14 HE1 PHE 14 100.638 8.527 17.483 958 HZ PHE 14 HZ PHE 14 99.515 10.119 15.947 959 H ILE 15 HN ILE 15 102.360 4.608 15.471 960 HA ILE 15 HA ILE 15 99.447 4.256 15.789 961 HB ILE 15 HB ILE 15 100.083 1.900 16.782 962 HG12 ILE 15 HG12 ILE 15 102.230 2.155 14.671 963 HG13 ILE 15 HG11 ILE 15 102.562 2.410 16.385 964 HG21 ILE 15 HG21 ILE 15 98.615 2.285 14.811 965 HG22 ILE 15 HG22 ILE 15 99.623 0.851 14.615 966 HG23 ILE 15 HG23 ILE 15 100.048 2.347 13.784 967 HD11 ILE 15 HD11 ILE 15 103.005 0.057 15.590 968 HD12 ILE 15 HD12 ILE 15 101.276 -0.102 15.283 969 HD13 ILE 15 HD13 ILE 15 101.858 0.164 16.926 970 H THR 16 HN THR 16 99.104 3.510 18.219 971 HA THR 16 HA THR 16 101.324 4.412 19.983 972 HB THR 16 HB THR 16 100.137 6.480 19.609 973 HG1 THR 16 HG1 THR 16 98.856 6.129 21.901 974 HG21 THR 16 HG21 THR 16 97.663 4.840 20.205 975 HG22 THR 16 HG22 THR 16 98.069 5.642 18.687 976 HG23 THR 16 HG23 THR 16 97.674 6.602 20.113 977 H LEU 17 HN LEU 17 101.167 3.606 22.103 978 HA LEU 17 HA LEU 17 99.184 1.397 22.448 979 HB2 LEU 17 HB2 LEU 17 101.607 1.934 24.177 980 HB3 LEU 17 HB1 LEU 17 100.719 0.423 23.978 981 HG LEU 17 HG LEU 17 102.443 1.800 21.899 982 HD11 LEU 17 HD11 LEU 17 102.701 -0.969 23.091 983 HD12 LEU 17 HD12 LEU 17 103.524 0.437 23.767 984 HD13 LEU 17 HD13 LEU 17 103.889 -0.094 22.125 985 HD21 LEU 17 HD21 LEU 17 100.544 -0.549 21.727 986 HD22 LEU 17 HD22 LEU 17 101.888 -0.363 20.601 987 HD23 LEU 17 HD23 LEU 17 100.628 0.866 20.678 988 H ALA 18 HN ALA 18 97.545 1.678 23.875 989 HA ALA 18 HA ALA 18 97.879 3.367 26.259 990 HB1 ALA 18 HB1 ALA 18 95.941 4.809 25.700 991 HB2 ALA 18 HB2 ALA 18 95.869 4.069 24.101 992 HB3 ALA 18 HB3 ALA 18 97.271 5.033 24.564 993 HA PRO 19 HA PRO 19 95.084 -0.349 26.515 994 HB2 PRO 19 HB2 PRO 19 96.231 -0.895 29.128 995 HB3 PRO 19 HB1 PRO 19 96.373 -1.863 27.654 996 HG2 PRO 19 HG2 PRO 19 98.430 -0.272 28.884 997 HG3 PRO 19 HG1 PRO 19 98.536 -1.162 27.358 998 HD2 PRO 19 HD2 PRO 19 98.326 1.718 27.753 999 HD3 PRO 19 HD1 PRO 19 98.571 0.837 26.230 1000 HA PRO 20 HA PRO 20 92.055 1.575 29.066 1001 HB2 PRO 20 HB2 PRO 20 91.389 -0.647 30.786 1002 HB3 PRO 20 HB1 PRO 20 90.535 -0.117 29.330 1003 HG2 PRO 20 HG2 PRO 20 92.264 -2.452 29.660 1004 HG3 PRO 20 HG1 PRO 20 91.263 -2.015 28.268 1005 HD2 PRO 20 HD2 PRO 20 94.115 -1.877 28.420 1006 HD3 PRO 20 HD1 PRO 20 93.085 -1.246 27.117 1007 H ARG 21 HN ARG 21 91.857 2.590 31.138 1008 HA ARG 21 HA ARG 21 94.300 2.497 32.770 1009 HB2 ARG 21 HB2 ARG 21 91.862 4.238 32.604 1010 HB3 ARG 21 HB1 ARG 21 92.718 4.206 34.143 1011 HG2 ARG 21 HG2 ARG 21 93.606 6.015 32.813 1012 HG3 ARG 21 HG1 ARG 21 94.835 4.762 32.914 1013 HD2 ARG 21 HD2 ARG 21 94.039 3.891 30.702 1014 HD3 ARG 21 HD1 ARG 21 92.954 5.270 30.581 1015 HE ARG 21 HE ARG 21 95.763 5.214 29.947 1016 HH11 ARG 21 HH21 ARG 21 93.412 7.202 31.517 1017 HH12 ARG 21 HH22 ARG 21 94.399 8.623 31.454 1018 HH21 ARG 21 HH11 ARG 21 97.034 7.054 29.851 1019 HH22 ARG 21 HH12 ARG 21 96.441 8.541 30.511 1020 H ARG 22 HN ARG 22 94.093 0.308 33.595 1021 HA ARG 22 HA ARG 22 91.925 -0.865 34.881 1022 HB2 ARG 22 HB2 ARG 22 94.811 -0.962 35.811 1023 HB3 ARG 22 HB1 ARG 22 93.554 -2.126 36.229 1024 HG2 ARG 22 HG2 ARG 22 93.263 -2.567 33.756 1025 HG3 ARG 22 HG1 ARG 22 94.667 -1.554 33.469 1026 HD2 ARG 22 HD2 ARG 22 96.082 -3.255 33.982 1027 HD3 ARG 22 HD1 ARG 22 95.293 -3.533 35.527 1028 HE ARG 22 HE ARG 22 95.099 -5.196 33.224 1029 HH11 ARG 22 HH21 ARG 22 93.001 -3.655 35.494 1030 HH12 ARG 22 HH22 ARG 22 91.707 -4.776 35.244 1031 HH21 ARG 22 HH11 ARG 22 93.429 -6.656 32.899 1032 HH22 ARG 22 HH12 ARG 22 91.948 -6.472 33.778 1033 H ASP 23 HN ASP 23 94.368 1.239 36.444 1034 HA ASP 23 HA ASP 23 94.249 2.441 38.458 1035 HB2 ASP 23 HB2 ASP 23 92.540 3.646 37.088 1036 HB3 ASP 23 HB1 ASP 23 91.305 2.567 37.739 1037 H VAL 24 HN VAL 24 91.104 1.946 39.454 1038 HA VAL 24 HA VAL 24 91.935 0.257 41.660 1039 HB VAL 24 HB VAL 24 89.530 0.313 42.283 1040 HG11 VAL 24 HG11 VAL 24 90.480 3.033 41.347 1041 HG12 VAL 24 HG12 VAL 24 91.124 2.220 42.773 1042 HG13 VAL 24 HG13 VAL 24 89.422 2.681 42.714 1043 HG21 VAL 24 HG21 VAL 24 88.024 1.719 40.829 1044 HG22 VAL 24 HG22 VAL 24 88.513 0.197 40.085 1045 HG23 VAL 24 HG23 VAL 24 89.287 1.704 39.599 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 124.607 12.995 42.296 2 H2 GLY 1 HT2 GLY 1 126.053 12.174 42.643 3 H3 GLY 1 HT3 GLY 1 125.037 12.681 43.908 4 HA2 GLY 1 HA2 GLY 1 123.238 11.168 43.273 5 HA3 GLY 1 HA1 GLY 1 124.334 10.610 41.977 6 H ILE 2 HN ILE 2 123.353 8.820 43.773 7 HA ILE 2 HA ILE 2 125.788 7.241 43.359 8 HB ILE 2 HB ILE 2 124.510 7.195 46.111 9 HG12 ILE 2 HG12 ILE 2 126.622 8.518 46.818 10 HG13 ILE 2 HG11 ILE 2 126.729 9.014 45.140 11 HG21 ILE 2 HG21 ILE 2 127.341 6.506 45.316 12 HG22 ILE 2 HG22 ILE 2 126.028 5.345 45.135 13 HG23 ILE 2 HG23 ILE 2 126.435 5.973 46.731 14 HD11 ILE 2 HD11 ILE 2 125.268 10.674 45.607 15 HD12 ILE 2 HD12 ILE 2 125.035 10.048 47.235 16 HD13 ILE 2 HD13 ILE 2 124.023 9.463 45.918 17 HA PRO 3 HA PRO 3 121.294 5.467 43.154 18 HB2 PRO 3 HB2 PRO 3 121.585 5.007 40.335 19 HB3 PRO 3 HB1 PRO 3 120.488 6.152 41.119 20 HG2 PRO 3 HG2 PRO 3 123.016 6.701 39.701 21 HG3 PRO 3 HG1 PRO 3 121.728 7.828 40.155 22 HD2 PRO 3 HD2 PRO 3 124.248 7.681 41.394 23 HD3 PRO 3 HD1 PRO 3 122.792 8.440 42.081 24 H GLU 4 HN GLU 4 123.401 4.393 40.551 25 HA GLU 4 HA GLU 4 124.610 2.343 40.330 26 HB2 GLU 4 HB2 GLU 4 125.072 2.912 42.959 27 HB3 GLU 4 HB1 GLU 4 124.051 1.491 43.165 28 HG2 GLU 4 HG2 GLU 4 125.567 0.269 41.559 29 HG3 GLU 4 HG1 GLU 4 126.640 1.669 41.599 30 H PHE 5 HN PHE 5 121.638 2.888 41.746 31 HA PHE 5 HA PHE 5 120.389 0.287 41.275 32 HB2 PHE 5 HB2 PHE 5 119.769 2.961 42.560 33 HB3 PHE 5 HB1 PHE 5 118.389 2.034 41.917 34 HD1 PHE 5 HD2 PHE 5 118.136 -0.427 42.656 35 HD2 PHE 5 HD1 PHE 5 120.708 2.382 44.644 36 HE1 PHE 5 HE2 PHE 5 118.164 -1.876 44.668 37 HE2 PHE 5 HE1 PHE 5 120.737 0.932 46.655 38 HZ PHE 5 HZ PHE 5 119.464 -1.197 46.668 39 H PHE 6 HN PHE 6 121.723 2.292 39.394 40 HA PHE 6 HA PHE 6 121.401 3.357 37.381 41 HB2 PHE 6 HB2 PHE 6 120.040 2.061 35.729 42 HB3 PHE 6 HB1 PHE 6 121.257 1.095 36.559 43 HD1 PHE 6 HD1 PHE 6 120.624 -0.530 38.299 44 HD2 PHE 6 HD2 PHE 6 117.658 1.694 36.127 45 HE1 PHE 6 HE1 PHE 6 118.871 -2.097 39.085 46 HE2 PHE 6 HE2 PHE 6 115.906 0.131 36.919 47 HZ PHE 6 HZ PHE 6 116.512 -1.766 38.397 48 H GLN 7 HN GLN 7 118.924 3.315 35.831 49 HA GLN 7 HA GLN 7 116.860 4.425 35.681 50 HB2 GLN 7 HB2 GLN 7 115.559 4.644 37.554 51 HB3 GLN 7 HB1 GLN 7 116.852 3.841 38.416 52 HG2 GLN 7 HG2 GLN 7 116.419 5.789 39.690 53 HG3 GLN 7 HG1 GLN 7 117.838 6.241 38.756 54 HE21 GLN 7 HE21 GLN 7 116.982 8.528 39.131 55 HE22 GLN 7 HE22 GLN 7 115.795 9.120 38.072 56 H PHE 8 HN PHE 8 119.867 5.345 36.592 57 HA PHE 8 HA PHE 8 119.590 7.935 35.265 58 HB2 PHE 8 HB2 PHE 8 119.232 8.627 37.572 59 HB3 PHE 8 HB1 PHE 8 120.619 7.676 38.100 60 HD1 PHE 8 HD1 PHE 8 119.560 10.672 36.198 61 HD2 PHE 8 HD2 PHE 8 122.878 8.464 37.801 62 HE1 PHE 8 HE1 PHE 8 121.055 12.601 35.759 63 HE2 PHE 8 HE2 PHE 8 124.373 10.393 37.362 64 HZ PHE 8 HZ PHE 8 123.462 12.461 36.341 65 H THR 9 HN THR 9 121.568 5.525 36.806 66 HA THR 9 HA THR 9 123.928 6.308 35.170 67 HB THR 9 HB THR 9 123.632 4.044 37.176 68 HG1 THR 9 HG1 THR 9 125.083 5.836 38.254 69 HG21 THR 9 HG21 THR 9 125.967 5.325 35.756 70 HG22 THR 9 HG22 THR 9 125.529 3.618 35.827 71 HG23 THR 9 HG23 THR 9 126.181 4.420 37.254 72 H VAL 10 HN VAL 10 121.124 4.776 34.807 73 HA VAL 10 HA VAL 10 121.498 2.217 33.848 74 HB VAL 10 HB VAL 10 119.315 3.413 33.943 75 HG11 VAL 10 HG11 VAL 10 118.678 4.984 32.282 76 HG12 VAL 10 HG12 VAL 10 120.067 4.598 31.268 77 HG13 VAL 10 HG13 VAL 10 120.295 5.481 32.778 78 HG21 VAL 10 HG21 VAL 10 120.053 2.146 31.286 79 HG22 VAL 10 HG22 VAL 10 118.401 2.417 31.839 80 HG23 VAL 10 HG23 VAL 10 119.454 1.309 32.718 81 H GLY 11 HN GLY 11 122.037 5.238 32.086 82 HA2 GLY 11 HA2 GLY 11 124.233 5.087 30.714 83 HA3 GLY 11 HA1 GLY 11 123.444 3.739 29.910 84 HA PRO 12 HA PRO 12 121.550 6.680 27.161 85 HB2 PRO 12 HB2 PRO 12 119.066 5.436 26.735 86 HB3 PRO 12 HB1 PRO 12 120.563 5.025 25.884 87 HG2 PRO 12 HG2 PRO 12 119.197 3.555 28.083 88 HG3 PRO 12 HG1 PRO 12 120.285 2.937 26.832 89 HD2 PRO 12 HD2 PRO 12 120.996 3.360 29.516 90 HD3 PRO 12 HD1 PRO 12 122.137 3.197 28.163 91 H LEU 13 HN LEU 13 121.254 7.090 30.042 92 HA LEU 13 HA LEU 13 119.884 8.101 31.656 93 HB2 LEU 13 HB2 LEU 13 118.499 10.058 30.105 94 HB3 LEU 13 HB1 LEU 13 119.979 10.285 31.019 95 HG LEU 13 HG LEU 13 119.794 9.422 28.116 96 HD11 LEU 13 HD11 LEU 13 120.655 12.003 29.441 97 HD12 LEU 13 HD12 LEU 13 119.220 11.757 28.444 98 HD13 LEU 13 HD13 LEU 13 120.825 11.650 27.721 99 HD21 LEU 13 HD21 LEU 13 122.435 10.276 28.789 100 HD22 LEU 13 HD22 LEU 13 121.917 8.650 28.366 101 HD23 LEU 13 HD23 LEU 13 121.960 9.142 30.055 102 H GLY 14 HN GLY 14 118.758 5.826 30.208 103 HA2 GLY 14 HA2 GLY 14 116.723 4.646 30.305 104 HA3 GLY 14 HA1 GLY 14 116.029 6.020 31.169 105 H GLU 15 HN GLU 15 116.533 8.040 29.319 106 HA GLU 15 HA GLU 15 115.430 9.040 27.500 107 HB2 GLU 15 HB2 GLU 15 117.145 7.399 26.479 108 HB3 GLU 15 HB1 GLU 15 115.760 6.365 26.154 109 HG2 GLU 15 HG2 GLU 15 116.137 7.689 24.174 110 HG3 GLU 15 HG1 GLU 15 114.700 8.343 24.955 111 H GLY 16 HN GLY 16 114.027 6.843 29.362 112 HA2 GLY 16 HA2 GLY 16 111.863 6.066 29.661 113 HA3 GLY 16 HA1 GLY 16 111.372 7.447 28.689 114 H GLY 17 HN GLY 17 111.191 4.170 28.864 115 HA2 GLY 17 HA2 GLY 17 110.259 2.620 27.376 116 HA3 GLY 17 HA1 GLY 17 110.084 3.918 26.207 117 H ALA 18 HN ALA 18 112.515 4.719 25.606 118 HA ALA 18 HA ALA 18 113.565 2.784 23.867 119 HB1 ALA 18 HB1 ALA 18 114.902 4.527 23.275 120 HB2 ALA 18 HB2 ALA 18 115.744 4.458 24.822 121 HB3 ALA 18 HB3 ALA 18 114.274 5.417 24.659 122 H HIS 19 HN HIS 19 113.671 2.700 27.238 123 HA HIS 19 HA HIS 19 116.175 1.117 27.338 124 HB2 HIS 19 HB2 HIS 19 115.895 2.731 29.116 125 HB3 HIS 19 HB1 HIS 19 114.287 2.112 29.490 126 HD1 HIS 19 HD1 HIS 19 114.374 0.762 31.576 127 HD2 HIS 19 HD2 HIS 19 117.807 0.218 29.274 128 HE1 HIS 19 HE1 HIS 19 115.799 -0.934 32.805 129 H LYS 20 HN LYS 20 112.854 0.536 26.863 130 HA LYS 20 HA LYS 20 113.251 -2.344 27.601 131 HB2 LYS 20 HB2 LYS 20 110.962 -2.450 28.469 132 HB3 LYS 20 HB1 LYS 20 111.904 -1.264 29.364 133 HG2 LYS 20 HG2 LYS 20 110.117 0.121 28.972 134 HG3 LYS 20 HG1 LYS 20 110.844 0.335 27.386 135 HD2 LYS 20 HD2 LYS 20 109.457 -1.652 26.601 136 HD3 LYS 20 HD1 LYS 20 108.630 -1.588 28.150 137 HE2 LYS 20 HE2 LYS 20 108.268 0.946 27.541 138 HE3 LYS 20 HE1 LYS 20 108.567 0.393 25.896 139 HZ1 LYS 20 HZ1 LYS 20 106.840 -1.442 27.011 140 HZ2 LYS 20 HZ2 LYS 20 106.470 -0.263 25.845 141 HZ3 LYS 20 HZ3 LYS 20 106.251 0.073 27.496 142 H VAL 21 HN VAL 21 112.685 -0.229 25.148 143 HA VAL 21 HA VAL 21 110.649 -1.857 23.751 144 HB VAL 21 HB VAL 21 112.211 0.613 22.944 145 HG11 VAL 21 HG11 VAL 21 110.513 0.630 21.028 146 HG12 VAL 21 HG12 VAL 21 110.190 -1.056 21.432 147 HG13 VAL 21 HG13 VAL 21 111.801 -0.569 20.907 148 HG21 VAL 21 HG21 VAL 21 109.977 1.668 23.099 149 HG22 VAL 21 HG22 VAL 21 110.458 0.959 24.637 150 HG23 VAL 21 HG23 VAL 21 109.291 0.128 23.610 151 H ARG 22 HN ARG 22 111.304 -3.700 22.848 152 HA ARG 22 HA ARG 22 114.090 -3.954 21.837 153 HB2 ARG 22 HB2 ARG 22 113.328 -5.735 23.312 154 HB3 ARG 22 HB1 ARG 22 111.896 -5.985 22.318 155 HG2 ARG 22 HG2 ARG 22 113.684 -7.673 21.874 156 HG3 ARG 22 HG1 ARG 22 113.277 -6.741 20.443 157 HD2 ARG 22 HD2 ARG 22 115.259 -5.505 20.518 158 HD3 ARG 22 HD1 ARG 22 115.511 -5.787 22.235 159 HE ARG 22 HE ARG 22 116.519 -7.367 20.034 160 HH11 ARG 22 HH21 ARG 22 115.136 -7.710 23.182 161 HH12 ARG 22 HH22 ARG 22 115.717 -9.329 23.390 162 HH21 ARG 22 HH11 ARG 22 117.277 -9.457 20.302 163 HH22 ARG 22 HH12 ARG 22 116.926 -10.314 21.765 164 H ALA 23 HN ALA 23 114.507 -4.016 19.680 165 HA ALA 23 HA ALA 23 112.268 -4.504 17.766 166 HB1 ALA 23 HB1 ALA 23 113.050 -2.590 16.389 167 HB2 ALA 23 HB2 ALA 23 114.208 -2.170 17.651 168 HB3 ALA 23 HB3 ALA 23 112.477 -2.059 17.970 169 H GLY 24 HN GLY 24 112.981 -6.250 16.633 170 HA2 GLY 24 HA2 GLY 24 115.633 -6.127 15.348 171 HA3 GLY 24 HA1 GLY 24 115.439 -7.425 16.529 172 H GLY 25 HN GLY 25 115.437 -7.030 13.336 173 HA2 GLY 25 HA2 GLY 25 114.042 -9.456 12.791 174 HA3 GLY 25 HA1 GLY 25 112.980 -8.106 12.407 175 H THR 26 HN THR 26 113.472 -9.462 10.255 176 HA THR 26 HA THR 26 115.972 -8.710 8.931 177 HB THR 26 HB THR 26 114.752 -9.719 6.908 178 HG1 THR 26 HG1 THR 26 112.926 -10.986 7.561 179 HG21 THR 26 HG21 THR 26 115.026 -12.020 7.777 180 HG22 THR 26 HG22 THR 26 115.108 -11.380 9.418 181 HG23 THR 26 HG23 THR 26 116.371 -10.984 8.252 182 H GLY 27 HN GLY 27 112.895 -7.288 9.403 183 HA2 GLY 27 HA2 GLY 27 112.849 -5.726 6.948 184 HA3 GLY 27 HA1 GLY 27 111.809 -5.478 8.351 185 H LEU 28 HN LEU 28 114.683 -5.581 9.764 186 HA LEU 28 HA LEU 28 115.038 -2.613 9.617 187 HB2 LEU 28 HB2 LEU 28 116.239 -4.567 11.600 188 HB3 LEU 28 HB1 LEU 28 116.185 -2.813 11.734 189 HG LEU 28 HG LEU 28 113.832 -4.718 11.824 190 HD11 LEU 28 HD11 LEU 28 115.323 -4.333 13.876 191 HD12 LEU 28 HD12 LEU 28 113.603 -4.014 14.091 192 HD13 LEU 28 HD13 LEU 28 114.726 -2.674 13.866 193 HD21 LEU 28 HD21 LEU 28 112.958 -2.865 10.657 194 HD22 LEU 28 HD22 LEU 28 113.983 -1.717 11.516 195 HD23 LEU 28 HD23 LEU 28 112.611 -2.458 12.336 196 H GLU 29 HN GLU 29 116.257 -5.322 8.197 197 HA GLU 29 HA GLU 29 119.078 -4.343 8.146 198 HB2 GLU 29 HB2 GLU 29 118.032 -6.906 6.935 199 HB3 GLU 29 HB1 GLU 29 119.686 -6.514 7.409 200 HG2 GLU 29 HG2 GLU 29 118.952 -6.402 9.789 201 HG3 GLU 29 HG1 GLU 29 117.332 -6.875 9.288 202 H ARG 30 HN ARG 30 116.404 -5.280 5.942 203 HA ARG 30 HA ARG 30 117.024 -3.193 4.076 204 HB2 ARG 30 HB2 ARG 30 117.808 -4.811 2.211 205 HB3 ARG 30 HB1 ARG 30 118.991 -4.344 3.431 206 HG2 ARG 30 HG2 ARG 30 118.779 -6.409 4.589 207 HG3 ARG 30 HG1 ARG 30 117.295 -6.827 3.731 208 HD2 ARG 30 HD2 ARG 30 118.550 -7.025 1.625 209 HD3 ARG 30 HD1 ARG 30 120.038 -6.574 2.459 210 HE ARG 30 HE ARG 30 119.122 -8.764 3.886 211 HH11 ARG 30 HH21 ARG 30 119.779 -8.030 0.582 212 HH12 ARG 30 HH22 ARG 30 120.228 -9.652 0.173 213 HH21 ARG 30 HH11 ARG 30 119.704 -10.886 3.370 214 HH22 ARG 30 HH12 ARG 30 120.186 -11.269 1.751 215 H GLY 31 HN GLY 31 115.858 -3.648 1.886 216 HA2 GLY 31 HA2 GLY 31 113.609 -5.577 2.161 217 HA3 GLY 31 HA1 GLY 31 113.216 -3.868 1.930 218 H VAL 32 HN VAL 32 112.332 -5.447 -0.080 219 HA VAL 32 HA VAL 32 114.259 -4.847 -2.284 220 HB VAL 32 HB VAL 32 112.795 -7.416 -1.757 221 HG11 VAL 32 HG11 VAL 32 112.332 -7.015 -4.070 222 HG12 VAL 32 HG12 VAL 32 113.692 -8.131 -4.032 223 HG13 VAL 32 HG13 VAL 32 113.961 -6.424 -4.360 224 HG21 VAL 32 HG21 VAL 32 115.192 -6.884 -0.909 225 HG22 VAL 32 HG22 VAL 32 115.665 -7.095 -2.593 226 HG23 VAL 32 HG23 VAL 32 114.912 -8.423 -1.718 227 H ALA 33 HN ALA 33 113.342 -4.323 -4.271 228 HA ALA 33 HA ALA 33 111.144 -2.683 -4.376 229 HB1 ALA 33 HB1 ALA 33 111.371 -4.417 -6.780 230 HB2 ALA 33 HB2 ALA 33 112.870 -3.688 -6.235 231 HB3 ALA 33 HB3 ALA 33 111.500 -2.662 -6.640 232 H GLY 34 HN GLY 34 109.131 -2.978 -3.740 233 HA2 GLY 34 HA2 GLY 34 106.999 -3.867 -3.487 234 HA3 GLY 34 HA1 GLY 34 107.289 -4.650 -5.033 235 H VAL 35 HN VAL 35 108.814 -5.163 -1.834 236 HA VAL 35 HA VAL 35 107.843 -7.986 -1.954 237 HB VAL 35 HB VAL 35 110.578 -6.930 -1.280 238 HG11 VAL 35 HG11 VAL 35 110.152 -8.412 0.544 239 HG12 VAL 35 HG12 VAL 35 111.047 -9.373 -0.633 240 HG13 VAL 35 HG13 VAL 35 109.299 -9.558 -0.491 241 HG21 VAL 35 HG21 VAL 35 109.539 -9.129 -3.099 242 HG22 VAL 35 HG22 VAL 35 111.237 -8.707 -2.896 243 HG23 VAL 35 HG23 VAL 35 110.119 -7.549 -3.619 244 HA PRO 36 HA PRO 36 106.219 -6.361 1.975 245 HB2 PRO 36 HB2 PRO 36 105.180 -8.985 2.657 246 HB3 PRO 36 HB1 PRO 36 104.274 -7.549 2.160 247 HG2 PRO 36 HG2 PRO 36 104.755 -9.929 0.608 248 HG3 PRO 36 HG1 PRO 36 103.900 -8.466 0.096 249 HD2 PRO 36 HD2 PRO 36 106.537 -9.367 -0.718 250 HD3 PRO 36 HD1 PRO 36 105.651 -7.929 -1.276 251 H ALA 37 HN ALA 37 107.486 -6.180 3.750 252 HA ALA 37 HA ALA 37 109.094 -8.554 4.653 253 HB1 ALA 37 HB1 ALA 37 109.930 -5.660 4.343 254 HB2 ALA 37 HB2 ALA 37 110.700 -7.091 3.659 255 HB3 ALA 37 HB3 ALA 37 110.800 -6.780 5.391 256 H GLU 38 HN GLU 38 109.863 -8.042 7.051 257 HA GLU 38 HA GLU 38 108.088 -6.281 8.541 258 HB2 GLU 38 HB2 GLU 38 106.735 -7.879 9.646 259 HB3 GLU 38 HB1 GLU 38 106.711 -8.390 7.958 260 HG2 GLU 38 HG2 GLU 38 108.727 -9.893 8.606 261 HG3 GLU 38 HG1 GLU 38 108.232 -9.591 10.276 262 H PHE 39 HN PHE 39 108.341 -6.664 10.932 263 HA PHE 39 HA PHE 39 110.759 -8.047 11.784 264 HB2 PHE 39 HB2 PHE 39 111.886 -6.062 12.688 265 HB3 PHE 39 HB1 PHE 39 111.708 -5.920 10.943 266 HD1 PHE 39 HD2 PHE 39 109.440 -4.753 10.163 267 HD2 PHE 39 HD1 PHE 39 111.275 -4.228 14.005 268 HE1 PHE 39 HE2 PHE 39 108.248 -2.598 10.434 269 HE2 PHE 39 HE1 PHE 39 110.092 -2.068 14.272 270 HZ PHE 39 HZ PHE 39 108.577 -1.253 12.488 271 H SER 40 HN SER 40 110.989 -7.710 14.210 272 HA SER 40 HA SER 40 108.255 -7.719 15.387 273 HB2 SER 40 HB2 SER 40 110.834 -8.698 16.625 274 HB3 SER 40 HB1 SER 40 109.194 -9.026 17.176 275 HG SER 40 HG SER 40 108.861 -10.304 15.433 276 H ILE 41 HN ILE 41 107.786 -6.584 17.279 277 HA ILE 41 HA ILE 41 109.779 -4.640 18.330 278 HB ILE 41 HB ILE 41 106.939 -3.828 17.657 279 HG12 ILE 41 HG12 ILE 41 109.497 -3.422 16.083 280 HG13 ILE 41 HG11 ILE 41 108.038 -4.250 15.542 281 HG21 ILE 41 HG21 ILE 41 109.368 -2.108 18.194 282 HG22 ILE 41 HG22 ILE 41 108.295 -2.652 19.483 283 HG23 ILE 41 HG23 ILE 41 107.673 -1.622 18.195 284 HD11 ILE 41 HD11 ILE 41 107.713 -2.165 14.570 285 HD12 ILE 41 HD12 ILE 41 108.538 -1.312 15.869 286 HD13 ILE 41 HD13 ILE 41 106.896 -1.911 16.109 287 H TRP 42 HN TRP 42 109.795 -6.009 20.215 288 HA TRP 42 HA TRP 42 107.228 -6.421 21.642 289 HB2 TRP 42 HB2 TRP 42 108.597 -8.338 21.732 290 HB3 TRP 42 HB1 TRP 42 110.057 -7.397 21.992 291 HD1 TRP 42 HD1 TRP 42 106.745 -7.202 23.966 292 HE1 TRP 42 HE1 TRP 42 107.260 -7.668 26.448 293 HE3 TRP 42 HE3 TRP 42 111.722 -8.298 23.646 294 HZ2 TRP 42 HZ2 TRP 42 109.487 -8.408 28.083 295 HZ3 TRP 42 HZ3 TRP 42 113.015 -8.880 25.679 296 HH2 TRP 42 HH2 TRP 42 111.905 -8.937 27.895 297 H THR 43 HN THR 43 106.602 -5.162 23.360 298 HA THR 43 HA THR 43 108.543 -3.615 24.906 299 HB THR 43 HB THR 43 108.415 -2.055 23.116 300 HG1 THR 43 HG1 THR 43 106.334 -0.921 24.492 301 HG21 THR 43 HG21 THR 43 106.518 -3.095 21.931 302 HG22 THR 43 HG22 THR 43 106.286 -1.356 22.096 303 HG23 THR 43 HG23 THR 43 105.412 -2.465 23.150 304 H ARG 44 HN ARG 44 107.757 -3.484 26.957 305 HA ARG 44 HA ARG 44 105.076 -2.803 27.642 306 HB2 ARG 44 HB2 ARG 44 104.472 -5.111 28.628 307 HB3 ARG 44 HB1 ARG 44 104.304 -4.914 26.885 308 HG2 ARG 44 HG2 ARG 44 106.264 -6.136 26.426 309 HG3 ARG 44 HG1 ARG 44 106.881 -5.947 28.067 310 HD2 ARG 44 HD2 ARG 44 105.968 -8.249 27.562 311 HD3 ARG 44 HD1 ARG 44 105.215 -7.457 28.945 312 HE ARG 44 HE ARG 44 103.584 -6.754 26.823 313 HH11 ARG 44 HH21 ARG 44 104.869 -9.678 28.121 314 HH12 ARG 44 HH22 ARG 44 103.510 -10.642 27.649 315 HH21 ARG 44 HH11 ARG 44 101.800 -7.996 26.200 316 HH22 ARG 44 HH12 ARG 44 101.773 -9.689 26.561 317 H GLU 45 HN GLU 45 106.676 -1.533 28.947 318 HA GLU 45 HA GLU 45 106.976 -2.753 31.592 319 HB2 GLU 45 HB2 GLU 45 109.055 -3.397 30.183 320 HB3 GLU 45 HB1 GLU 45 109.502 -1.697 30.311 321 HG2 GLU 45 HG2 GLU 45 109.385 -1.851 32.775 322 HG3 GLU 45 HG1 GLU 45 108.964 -3.559 32.643 323 H ALA 46 HN ALA 46 108.090 0.016 29.586 324 HA ALA 46 HA ALA 46 108.179 1.877 31.741 325 HB1 ALA 46 HB1 ALA 46 109.081 2.181 29.352 326 HB2 ALA 46 HB2 ALA 46 108.322 3.585 30.098 327 HB3 ALA 46 HB3 ALA 46 107.433 2.629 28.913 328 H GLY 47 HN GLY 47 105.594 1.220 29.371 329 HA2 GLY 47 HA2 GLY 47 103.362 1.129 30.848 330 HA3 GLY 47 HA1 GLY 47 103.714 2.855 30.968 331 H ALA 48 HN ALA 48 101.364 1.865 29.710 332 HA ALA 48 HA ALA 48 101.490 1.524 26.917 333 HB1 ALA 48 HB1 ALA 48 99.411 1.351 28.307 334 HB2 ALA 48 HB2 ALA 48 99.192 2.329 26.855 335 HB3 ALA 48 HB3 ALA 48 99.388 3.111 28.424 336 H GLY 49 HN GLY 49 101.031 3.159 25.205 337 HA2 GLY 49 HA2 GLY 49 101.323 5.974 25.697 338 HA3 GLY 49 HA1 GLY 49 102.872 5.292 25.202 339 H GLY 50 HN GLY 50 103.162 5.763 23.080 340 HA2 GLY 50 HA2 GLY 50 101.195 4.804 21.125 341 HA3 GLY 50 HA1 GLY 50 101.405 6.555 21.146 342 H LEU 51 HN LEU 51 102.352 3.966 19.469 343 HA LEU 51 HA LEU 51 105.212 4.760 19.168 344 HB2 LEU 51 HB2 LEU 51 104.525 2.324 19.399 345 HB3 LEU 51 HB1 LEU 51 103.722 2.480 17.840 346 HG LEU 51 HG LEU 51 106.046 3.382 17.009 347 HD11 LEU 51 HD11 LEU 51 107.195 3.567 19.125 348 HD12 LEU 51 HD12 LEU 51 107.926 2.229 18.245 349 HD13 LEU 51 HD13 LEU 51 106.791 1.904 19.553 350 HD21 LEU 51 HD21 LEU 51 105.008 1.251 16.295 351 HD22 LEU 51 HD22 LEU 51 105.667 0.457 17.726 352 HD23 LEU 51 HD23 LEU 51 106.753 1.082 16.485 353 H SER 52 HN SER 52 105.205 6.622 17.903 354 HA SER 52 HA SER 52 103.495 6.735 15.552 355 HB2 SER 52 HB2 SER 52 103.612 8.858 16.502 356 HB3 SER 52 HB1 SER 52 105.293 8.645 16.980 357 HG SER 52 HG SER 52 104.208 9.552 14.619 358 H ILE 53 HN ILE 53 104.314 6.604 13.371 359 HA ILE 53 HA ILE 53 107.250 6.049 13.116 360 HB ILE 53 HB ILE 53 104.999 4.473 11.830 361 HG12 ILE 53 HG12 ILE 53 107.117 3.577 13.809 362 HG13 ILE 53 HG11 ILE 53 105.473 4.017 14.273 363 HG21 ILE 53 HG21 ILE 53 106.831 4.636 10.283 364 HG22 ILE 53 HG22 ILE 53 106.957 3.052 11.048 365 HG23 ILE 53 HG23 ILE 53 108.014 4.366 11.563 366 HD11 ILE 53 HD11 ILE 53 106.122 1.883 12.223 367 HD12 ILE 53 HD12 ILE 53 104.542 2.245 12.919 368 HD13 ILE 53 HD13 ILE 53 105.810 1.543 13.925 369 H ALA 54 HN ALA 54 107.888 7.805 11.944 370 HA ALA 54 HA ALA 54 106.182 8.779 9.708 371 HB1 ALA 54 HB1 ALA 54 107.634 10.719 9.686 372 HB2 ALA 54 HB2 ALA 54 108.785 9.930 10.764 373 HB3 ALA 54 HB3 ALA 54 107.195 10.400 11.364 374 H VAL 55 HN VAL 55 106.525 7.513 7.939 375 HA VAL 55 HA VAL 55 109.260 6.536 7.333 376 HB VAL 55 HB VAL 55 107.803 5.522 5.311 377 HG11 VAL 55 HG11 VAL 55 108.923 4.071 6.846 378 HG12 VAL 55 HG12 VAL 55 107.227 3.589 6.882 379 HG13 VAL 55 HG13 VAL 55 107.892 4.573 8.186 380 HG21 VAL 55 HG21 VAL 55 105.723 5.697 7.501 381 HG22 VAL 55 HG22 VAL 55 105.512 5.208 5.820 382 HG23 VAL 55 HG23 VAL 55 105.803 6.901 6.214 383 H GLU 56 HN GLU 56 110.378 7.125 5.488 384 HA GLU 56 HA GLU 56 109.147 9.102 3.641 385 HB2 GLU 56 HB2 GLU 56 110.225 10.626 5.085 386 HB3 GLU 56 HB1 GLU 56 111.583 9.549 5.372 387 HG2 GLU 56 HG2 GLU 56 112.468 9.953 3.174 388 HG3 GLU 56 HG1 GLU 56 110.997 10.754 2.664 389 H GLY 57 HN GLY 57 110.038 8.928 1.527 390 HA2 GLY 57 HA2 GLY 57 112.402 7.766 0.699 391 HA3 GLY 57 HA1 GLY 57 111.344 6.388 0.990 392 HA PRO 58 HA PRO 58 110.754 7.993 -3.363 393 HB2 PRO 58 HB2 PRO 58 110.768 5.190 -4.203 394 HB3 PRO 58 HB1 PRO 58 111.873 6.503 -4.630 395 HG2 PRO 58 HG2 PRO 58 112.456 4.297 -2.923 396 HG3 PRO 58 HG1 PRO 58 113.474 5.722 -3.180 397 HD2 PRO 58 HD2 PRO 58 111.829 5.046 -0.839 398 HD3 PRO 58 HD1 PRO 58 113.065 6.311 -1.000 399 H SER 59 HN SER 59 109.190 5.404 -1.526 400 HA SER 59 HA SER 59 106.591 6.254 -2.733 401 HB2 SER 59 HB2 SER 59 107.532 4.196 -3.914 402 HB3 SER 59 HB1 SER 59 107.306 3.339 -2.391 403 HG SER 59 HG SER 59 105.191 4.863 -3.405 404 H LYS 60 HN LYS 60 104.734 5.571 -1.440 405 HA LYS 60 HA LYS 60 105.308 5.763 1.415 406 HB2 LYS 60 HB2 LYS 60 102.634 5.189 0.113 407 HB3 LYS 60 HB1 LYS 60 102.927 5.910 1.696 408 HG2 LYS 60 HG2 LYS 60 104.024 7.848 0.574 409 HG3 LYS 60 HG1 LYS 60 103.611 7.142 -0.989 410 HD2 LYS 60 HD2 LYS 60 101.192 7.157 -0.259 411 HD3 LYS 60 HD1 LYS 60 101.691 8.082 1.158 412 HE2 LYS 60 HE2 LYS 60 102.648 9.819 -0.332 413 HE3 LYS 60 HE1 LYS 60 102.089 8.907 -1.733 414 HZ1 LYS 60 HZ1 LYS 60 100.099 9.814 -1.511 415 HZ2 LYS 60 HZ2 LYS 60 100.659 10.742 -0.203 416 HZ3 LYS 60 HZ3 LYS 60 99.958 9.219 0.070 417 H ALA 61 HN ALA 61 106.054 3.945 2.415 418 HA ALA 61 HA ALA 61 105.370 1.282 1.464 419 HB1 ALA 61 HB1 ALA 61 106.714 2.128 4.048 420 HB2 ALA 61 HB2 ALA 61 107.554 1.792 2.534 421 HB3 ALA 61 HB3 ALA 61 106.697 0.499 3.373 422 H GLU 62 HN GLU 62 103.914 -0.164 2.388 423 HA GLU 62 HA GLU 62 101.787 1.011 4.020 424 HB2 GLU 62 HB2 GLU 62 101.564 -0.750 2.089 425 HB3 GLU 62 HB1 GLU 62 101.989 -1.924 3.333 426 HG2 GLU 62 HG2 GLU 62 100.076 -1.308 4.669 427 HG3 GLU 62 HG1 GLU 62 99.716 0.064 3.620 428 H ILE 63 HN ILE 63 101.010 -0.442 5.950 429 HA ILE 63 HA ILE 63 103.294 -1.603 7.464 430 HB ILE 63 HB ILE 63 101.445 0.610 8.430 431 HG12 ILE 63 HG12 ILE 63 103.771 1.554 9.105 432 HG13 ILE 63 HG11 ILE 63 104.438 0.334 8.028 433 HG21 ILE 63 HG21 ILE 63 102.773 0.263 10.613 434 HG22 ILE 63 HG22 ILE 63 103.195 -1.316 9.953 435 HG23 ILE 63 HG23 ILE 63 101.506 -0.908 10.246 436 HD11 ILE 63 HD11 ILE 63 104.051 1.671 6.263 437 HD12 ILE 63 HD12 ILE 63 103.419 2.903 7.347 438 HD13 ILE 63 HD13 ILE 63 102.326 1.725 6.628 439 H ALA 64 HN ALA 64 102.541 -3.110 9.160 440 HA ALA 64 HA ALA 64 99.637 -3.646 9.247 441 HB1 ALA 64 HB1 ALA 64 100.357 -6.188 8.786 442 HB2 ALA 64 HB2 ALA 64 101.634 -5.392 7.866 443 HB3 ALA 64 HB3 ALA 64 99.946 -5.095 7.463 444 H PHE 65 HN PHE 65 99.286 -3.784 11.407 445 HA PHE 65 HA PHE 65 101.436 -4.809 13.184 446 HB2 PHE 65 HB2 PHE 65 99.943 -4.009 15.008 447 HB3 PHE 65 HB1 PHE 65 100.321 -2.732 13.852 448 HD1 PHE 65 HD1 PHE 65 98.644 -2.011 12.174 449 HD2 PHE 65 HD2 PHE 65 97.706 -4.899 15.212 450 HE1 PHE 65 HE1 PHE 65 96.225 -1.692 11.731 451 HE2 PHE 65 HE2 PHE 65 95.287 -4.581 14.768 452 HZ PHE 65 HZ PHE 65 94.547 -2.977 13.028 453 H GLU 66 HN GLU 66 101.422 -6.940 13.711 454 HA GLU 66 HA GLU 66 98.805 -8.316 14.115 455 HB2 GLU 66 HB2 GLU 66 99.607 -8.788 11.785 456 HB3 GLU 66 HB1 GLU 66 101.072 -9.488 12.476 457 HG2 GLU 66 HG2 GLU 66 99.733 -11.146 13.692 458 HG3 GLU 66 HG1 GLU 66 98.250 -10.432 13.058 459 H ASP 67 HN ASP 67 99.063 -8.671 16.299 460 HA ASP 67 HA ASP 67 101.658 -9.561 17.376 461 HB2 ASP 67 HB2 ASP 67 100.463 -9.555 19.551 462 HB3 ASP 67 HB1 ASP 67 100.265 -8.022 18.700 463 H ARG 68 HN ARG 68 102.097 -11.661 16.747 464 HA ARG 68 HA ARG 68 99.937 -13.711 17.002 465 HB2 ARG 68 HB2 ARG 68 101.854 -15.126 15.852 466 HB3 ARG 68 HB1 ARG 68 100.905 -13.988 14.896 467 HG2 ARG 68 HG2 ARG 68 102.625 -12.305 15.051 468 HG3 ARG 68 HG1 ARG 68 103.534 -13.269 16.213 469 HD2 ARG 68 HD2 ARG 68 104.581 -13.561 14.060 470 HD3 ARG 68 HD1 ARG 68 103.736 -15.060 14.447 471 HE ARG 68 HE ARG 68 101.872 -13.609 13.000 472 HH11 ARG 68 HH21 ARG 68 105.148 -14.597 12.578 473 HH12 ARG 68 HH22 ARG 68 105.032 -14.709 10.854 474 HH21 ARG 68 HH11 ARG 68 101.701 -13.750 10.750 475 HH22 ARG 68 HH12 ARG 68 103.080 -14.230 9.819 476 H LYS 69 HN LYS 69 102.128 -12.384 18.997 477 HA LYS 69 HA LYS 69 102.800 -14.988 20.344 478 HB2 LYS 69 HB2 LYS 69 104.271 -12.360 20.657 479 HB3 LYS 69 HB1 LYS 69 104.771 -13.944 21.243 480 HG2 LYS 69 HG2 LYS 69 104.483 -13.153 18.331 481 HG3 LYS 69 HG1 LYS 69 106.006 -13.333 19.200 482 HD2 LYS 69 HD2 LYS 69 105.181 -15.740 19.728 483 HD3 LYS 69 HD1 LYS 69 104.023 -15.472 18.424 484 HE2 LYS 69 HE2 LYS 69 105.893 -14.927 16.891 485 HE3 LYS 69 HE1 LYS 69 107.038 -15.256 18.192 486 HZ1 LYS 69 HZ1 LYS 69 106.539 -17.495 18.185 487 HZ2 LYS 69 HZ2 LYS 69 106.471 -17.117 16.530 488 HZ3 LYS 69 HZ3 LYS 69 105.037 -17.279 17.428 489 H ASP 70 HN ASP 70 100.832 -12.305 20.480 490 HA ASP 70 HA ASP 70 99.413 -11.529 22.182 491 HB2 ASP 70 HB2 ASP 70 99.697 -14.126 22.790 492 HB3 ASP 70 HB1 ASP 70 100.561 -13.468 24.172 493 H GLY 71 HN GLY 71 102.668 -11.303 22.114 494 HA2 GLY 71 HA2 GLY 71 102.678 -9.279 24.275 495 HA3 GLY 71 HA1 GLY 71 103.814 -10.619 24.433 496 H SER 72 HN SER 72 104.325 -10.856 21.577 497 HA SER 72 HA SER 72 106.157 -8.531 21.276 498 HB2 SER 72 HB2 SER 72 106.019 -10.989 19.519 499 HB3 SER 72 HB1 SER 72 107.364 -9.869 19.712 500 HG SER 72 HG SER 72 106.497 -11.949 21.340 501 H CYS 73 HN CYS 73 105.610 -6.903 19.908 502 HA CYS 73 HA CYS 73 103.226 -7.226 18.186 503 HB2 CYS 73 HB2 CYS 73 103.703 -5.165 19.614 504 HB3 CYS 73 HB1 CYS 73 104.968 -4.771 18.452 505 HG CYS 73 HG CYS 73 102.001 -4.378 17.998 506 H GLY 74 HN GLY 74 103.356 -7.699 16.061 507 HA2 GLY 74 HA2 GLY 74 106.024 -7.552 14.710 508 HA3 GLY 74 HA1 GLY 74 104.698 -8.606 14.225 509 H VAL 75 HN VAL 75 106.281 -5.822 13.407 510 HA VAL 75 HA VAL 75 103.851 -4.542 12.173 511 HB VAL 75 HB VAL 75 106.649 -3.404 12.465 512 HG11 VAL 75 HG11 VAL 75 105.607 -1.304 11.919 513 HG12 VAL 75 HG12 VAL 75 103.997 -2.015 12.014 514 HG13 VAL 75 HG13 VAL 75 105.084 -2.465 10.699 515 HG21 VAL 75 HG21 VAL 75 105.411 -2.020 14.295 516 HG22 VAL 75 HG22 VAL 75 105.910 -3.663 14.700 517 HG23 VAL 75 HG23 VAL 75 104.230 -3.330 14.280 518 H SER 76 HN SER 76 103.528 -5.484 10.230 519 HA SER 76 HA SER 76 105.837 -6.120 8.478 520 HB2 SER 76 HB2 SER 76 104.444 -7.935 8.221 521 HB3 SER 76 HB1 SER 76 103.027 -7.030 8.730 522 HG SER 76 HG SER 76 103.225 -7.703 6.421 523 H TYR 77 HN TYR 77 106.223 -5.005 6.579 524 HA TYR 77 HA TYR 77 104.264 -2.887 5.761 525 HB2 TYR 77 HB2 TYR 77 106.155 -1.303 5.470 526 HB3 TYR 77 HB1 TYR 77 106.022 -1.812 7.153 527 HD1 TYR 77 HD1 TYR 77 107.869 -2.301 3.977 528 HD2 TYR 77 HD2 TYR 77 107.771 -3.082 8.197 529 HE1 TYR 77 HE1 TYR 77 110.209 -3.114 3.879 530 HE2 TYR 77 HE2 TYR 77 110.111 -3.894 8.099 531 HH TYR 77 HH TYR 77 112.179 -3.328 6.302 532 H VAL 78 HN VAL 78 105.047 -1.957 3.539 533 HA VAL 78 HA VAL 78 106.458 -4.052 1.925 534 HB VAL 78 HB VAL 78 103.923 -4.343 1.808 535 HG11 VAL 78 HG11 VAL 78 103.972 -1.940 -0.014 536 HG12 VAL 78 HG12 VAL 78 103.639 -1.752 1.704 537 HG13 VAL 78 HG13 VAL 78 102.587 -2.754 0.712 538 HG21 VAL 78 HG21 VAL 78 105.548 -5.164 0.080 539 HG22 VAL 78 HG22 VAL 78 105.321 -3.650 -0.794 540 HG23 VAL 78 HG23 VAL 78 103.967 -4.761 -0.588 541 H VAL 79 HN VAL 79 108.066 -3.085 0.859 542 HA VAL 79 HA VAL 79 107.996 -0.163 0.396 543 HB VAL 79 HB VAL 79 110.361 -0.640 -0.478 544 HG11 VAL 79 HG11 VAL 79 109.440 -1.197 2.350 545 HG12 VAL 79 HG12 VAL 79 110.207 0.256 1.709 546 HG13 VAL 79 HG13 VAL 79 111.153 -1.214 1.935 547 HG21 VAL 79 HG21 VAL 79 109.916 -3.308 0.885 548 HG22 VAL 79 HG22 VAL 79 111.312 -2.794 -0.062 549 HG23 VAL 79 HG23 VAL 79 109.773 -3.110 -0.862 550 H GLN 80 HN GLN 80 108.614 0.646 -1.823 551 HA GLN 80 HA GLN 80 107.255 -1.015 -3.909 552 HB2 GLN 80 HB2 GLN 80 106.482 1.359 -3.332 553 HB3 GLN 80 HB1 GLN 80 107.961 1.910 -4.117 554 HG2 GLN 80 HG2 GLN 80 106.285 1.944 -5.816 555 HG3 GLN 80 HG1 GLN 80 107.252 0.503 -6.131 556 HE21 GLN 80 HE21 GLN 80 104.322 1.437 -4.228 557 HE22 GLN 80 HE22 GLN 80 103.481 -0.003 -4.548 558 H GLU 81 HN GLU 81 110.170 1.069 -3.530 559 HA GLU 81 HA GLU 81 111.602 -0.722 -5.336 560 HB2 GLU 81 HB2 GLU 81 112.250 1.558 -6.679 561 HB3 GLU 81 HB1 GLU 81 110.963 0.464 -7.184 562 HG2 GLU 81 HG2 GLU 81 109.306 1.763 -6.027 563 HG3 GLU 81 HG1 GLU 81 110.543 2.789 -5.300 564 HA PRO 82 HA PRO 82 115.304 0.087 -3.136 565 HB2 PRO 82 HB2 PRO 82 116.433 1.086 -5.711 566 HB3 PRO 82 HB1 PRO 82 117.119 -0.075 -4.555 567 HG2 PRO 82 HG2 PRO 82 115.888 -0.881 -6.867 568 HG3 PRO 82 HG1 PRO 82 115.884 -1.818 -5.388 569 HD2 PRO 82 HD2 PRO 82 113.614 -0.437 -6.630 570 HD3 PRO 82 HD1 PRO 82 113.627 -1.678 -5.366 571 H GLY 83 HN GLY 83 116.659 1.708 -2.356 572 HA2 GLY 83 HA2 GLY 83 117.109 4.295 -2.948 573 HA3 GLY 83 HA1 GLY 83 115.408 4.410 -2.495 574 H ASP 84 HN ASP 84 116.277 5.835 -0.772 575 HA ASP 84 HA ASP 84 117.448 4.315 1.534 576 HB2 ASP 84 HB2 ASP 84 117.445 7.279 0.882 577 HB3 ASP 84 HB1 ASP 84 118.057 6.593 2.388 578 H TYR 85 HN TYR 85 115.379 3.504 2.235 579 HA TYR 85 HA TYR 85 113.188 5.351 2.759 580 HB2 TYR 85 HB2 TYR 85 113.692 2.437 3.022 581 HB3 TYR 85 HB1 TYR 85 112.589 3.089 4.230 582 HD1 TYR 85 HD2 TYR 85 110.508 4.249 3.517 583 HD2 TYR 85 HD1 TYR 85 113.076 2.253 0.714 584 HE1 TYR 85 HE2 TYR 85 108.686 4.260 1.842 585 HE2 TYR 85 HE1 TYR 85 111.255 2.261 -0.965 586 HH TYR 85 HH TYR 85 109.178 3.651 -1.415 587 H GLU 86 HN GLU 86 112.909 6.515 4.565 588 HA GLU 86 HA GLU 86 114.775 6.072 6.875 589 HB2 GLU 86 HB2 GLU 86 113.460 8.653 7.028 590 HB3 GLU 86 HB1 GLU 86 115.173 8.320 6.814 591 HG2 GLU 86 HG2 GLU 86 113.239 8.245 4.490 592 HG3 GLU 86 HG1 GLU 86 114.028 9.729 4.992 593 H VAL 87 HN VAL 87 113.884 5.427 8.738 594 HA VAL 87 HA VAL 87 110.922 5.731 9.103 595 HB VAL 87 HB VAL 87 111.773 3.404 8.575 596 HG11 VAL 87 HG11 VAL 87 112.852 3.492 11.398 597 HG12 VAL 87 HG12 VAL 87 113.877 3.719 9.981 598 HG13 VAL 87 HG13 VAL 87 113.020 2.196 10.215 599 HG21 VAL 87 HG21 VAL 87 110.404 3.971 11.215 600 HG22 VAL 87 HG22 VAL 87 110.473 2.371 10.478 601 HG23 VAL 87 HG23 VAL 87 109.630 3.684 9.657 602 H SER 88 HN SER 88 110.306 6.645 10.992 603 HA SER 88 HA SER 88 112.344 6.984 13.163 604 HB2 SER 88 HB2 SER 88 110.152 8.959 12.521 605 HB3 SER 88 HB1 SER 88 111.543 9.195 13.575 606 HG SER 88 HG SER 88 111.458 8.967 10.754 607 H ILE 89 HN ILE 89 111.602 5.285 14.414 608 HA ILE 89 HA ILE 89 108.736 5.308 15.222 609 HB ILE 89 HB ILE 89 108.970 3.052 15.743 610 HG12 ILE 89 HG12 ILE 89 111.915 3.649 16.081 611 HG13 ILE 89 HG11 ILE 89 110.783 3.067 17.296 612 HG21 ILE 89 HG21 ILE 89 109.939 2.038 13.818 613 HG22 ILE 89 HG22 ILE 89 111.116 3.340 13.640 614 HG23 ILE 89 HG23 ILE 89 109.412 3.639 13.301 615 HD11 ILE 89 HD11 ILE 89 110.515 0.985 15.798 616 HD12 ILE 89 HD12 ILE 89 112.025 1.142 16.696 617 HD13 ILE 89 HD13 ILE 89 111.974 1.543 14.979 618 H LYS 90 HN LYS 90 108.150 5.868 17.277 619 HA LYS 90 HA LYS 90 110.227 6.093 19.389 620 HB2 LYS 90 HB2 LYS 90 109.338 8.279 20.029 621 HB3 LYS 90 HB1 LYS 90 109.924 8.346 18.378 622 HG2 LYS 90 HG2 LYS 90 107.323 7.611 17.923 623 HG3 LYS 90 HG1 LYS 90 107.120 8.524 19.410 624 HD2 LYS 90 HD2 LYS 90 106.892 10.170 17.743 625 HD3 LYS 90 HD1 LYS 90 108.574 10.341 18.238 626 HE2 LYS 90 HE2 LYS 90 108.613 8.360 16.216 627 HE3 LYS 90 HE1 LYS 90 107.525 9.613 15.619 628 HZ1 LYS 90 HZ1 LYS 90 109.623 10.970 16.746 629 HZ2 LYS 90 HZ2 LYS 90 109.331 10.749 15.087 630 HZ3 LYS 90 HZ3 LYS 90 110.352 9.678 15.923 631 H PHE 91 HN PHE 91 109.440 4.971 21.135 632 HA PHE 91 HA PHE 91 106.562 4.344 21.248 633 HB2 PHE 91 HB2 PHE 91 108.226 2.652 21.933 634 HB3 PHE 91 HB1 PHE 91 108.788 3.719 23.217 635 HD1 PHE 91 HD1 PHE 91 105.933 1.704 21.995 636 HD2 PHE 91 HD2 PHE 91 107.516 4.019 25.248 637 HE1 PHE 91 HE1 PHE 91 104.131 0.860 23.473 638 HE2 PHE 91 HE2 PHE 91 105.714 3.172 26.727 639 HZ PHE 91 HZ PHE 91 104.021 1.592 25.839 640 H ASN 92 HN ASN 92 105.430 6.196 21.695 641 HA ASN 92 HA ASN 92 104.526 7.882 23.033 642 HB2 ASN 92 HB2 ASN 92 105.187 6.085 24.874 643 HB3 ASN 92 HB1 ASN 92 106.441 7.256 25.276 644 HD21 ASN 92 HD21 ASN 92 105.664 8.324 27.113 645 HD22 ASN 92 HD22 ASN 92 104.120 9.017 27.245 646 H ASP 93 HN ASP 93 106.734 8.346 21.239 647 HA ASP 93 HA ASP 93 107.962 10.249 20.644 648 HB2 ASP 93 HB2 ASP 93 107.836 11.365 23.430 649 HB3 ASP 93 HB1 ASP 93 107.909 12.196 21.880 650 H GLU 94 HN GLU 94 108.964 7.772 22.342 651 HA GLU 94 HA GLU 94 111.593 9.001 23.118 652 HB2 GLU 94 HB2 GLU 94 112.061 6.996 24.360 653 HB3 GLU 94 HB1 GLU 94 110.456 7.553 24.811 654 HG2 GLU 94 HG2 GLU 94 109.848 5.383 24.427 655 HG3 GLU 94 HG1 GLU 94 109.827 5.870 22.741 656 H HIS 95 HN HIS 95 112.522 9.269 21.137 657 HA HIS 95 HA HIS 95 112.367 7.393 18.991 658 HB2 HIS 95 HB2 HIS 95 114.144 8.722 17.958 659 HB3 HIS 95 HB1 HIS 95 112.932 9.776 18.682 660 HD1 HIS 95 HD1 HIS 95 115.866 10.720 18.220 661 HD2 HIS 95 HD2 HIS 95 114.457 9.164 21.823 662 HE1 HIS 95 HE1 HIS 95 117.408 11.587 20.030 663 H ILE 96 HN ILE 96 113.140 5.376 19.130 664 HA ILE 96 HA ILE 96 115.087 4.357 20.864 665 HB ILE 96 HB ILE 96 114.876 3.381 18.004 666 HG12 ILE 96 HG12 ILE 96 112.584 3.815 18.560 667 HG13 ILE 96 HG11 ILE 96 112.839 2.087 18.778 668 HG21 ILE 96 HG21 ILE 96 114.872 1.156 19.207 669 HG22 ILE 96 HG22 ILE 96 115.203 2.035 20.697 670 HG23 ILE 96 HG23 ILE 96 116.362 2.082 19.364 671 HD11 ILE 96 HD11 ILE 96 112.493 4.222 20.860 672 HD12 ILE 96 HD12 ILE 96 113.384 2.754 21.262 673 HD13 ILE 96 HD13 ILE 96 111.704 2.653 20.739 674 HA PRO 97 HA PRO 97 118.834 6.469 19.583 675 HB2 PRO 97 HB2 PRO 97 120.311 3.906 19.765 676 HB3 PRO 97 HB1 PRO 97 120.559 5.407 20.673 677 HG2 PRO 97 HG2 PRO 97 119.332 3.048 21.668 678 HG3 PRO 97 HG1 PRO 97 119.313 4.637 22.446 679 HD2 PRO 97 HD2 PRO 97 117.094 3.247 21.206 680 HD3 PRO 97 HD1 PRO 97 117.066 4.821 22.019 681 H ASP 98 HN ASP 98 117.456 3.719 18.071 682 HA ASP 98 HA ASP 98 119.171 3.690 15.702 683 HB2 ASP 98 HB2 ASP 98 116.400 2.545 16.127 684 HB3 ASP 98 HB1 ASP 98 117.484 2.158 14.786 685 H SER 99 HN SER 99 115.722 4.413 16.059 686 HA SER 99 HA SER 99 115.486 5.740 13.613 687 HB2 SER 99 HB2 SER 99 113.550 6.970 15.124 688 HB3 SER 99 HB1 SER 99 113.386 5.348 14.454 689 HG SER 99 HG SER 99 113.161 5.841 16.886 690 HA PRO 100 HA PRO 100 114.662 7.392 12.486 691 HB2 PRO 100 HB2 PRO 100 115.687 9.423 10.869 692 HB3 PRO 100 HB1 PRO 100 114.257 9.582 11.899 693 HG2 PRO 100 HG2 PRO 100 116.915 10.800 12.257 694 HG3 PRO 100 HG1 PRO 100 115.394 11.197 13.071 695 HD2 PRO 100 HD2 PRO 100 117.615 9.653 14.123 696 HD3 PRO 100 HD1 PRO 100 116.095 10.067 14.942 697 H PHE 101 HN PHE 101 115.764 5.479 11.613 698 HA PHE 101 HA PHE 101 118.523 5.952 10.494 699 HB2 PHE 101 HB2 PHE 101 118.839 3.508 10.570 700 HB3 PHE 101 HB1 PHE 101 118.551 4.194 12.162 701 HD1 PHE 101 HD2 PHE 101 117.105 2.120 9.452 702 HD2 PHE 101 HD1 PHE 101 116.534 3.726 13.354 703 HE1 PHE 101 HE2 PHE 101 115.232 0.541 9.853 704 HE2 PHE 101 HE1 PHE 101 114.699 2.172 13.782 705 HZ PHE 101 HZ PHE 101 114.020 0.565 12.013 706 H VAL 102 HN VAL 102 119.023 4.620 8.523 707 HA VAL 102 HA VAL 102 116.812 4.990 6.595 708 HB VAL 102 HB VAL 102 118.973 5.976 6.042 709 HG11 VAL 102 HG11 VAL 102 120.011 3.127 6.141 710 HG12 VAL 102 HG12 VAL 102 120.376 4.387 7.319 711 HG13 VAL 102 HG13 VAL 102 120.936 4.546 5.654 712 HG21 VAL 102 HG21 VAL 102 117.482 4.973 4.252 713 HG22 VAL 102 HG22 VAL 102 118.517 3.545 4.291 714 HG23 VAL 102 HG23 VAL 102 119.184 5.104 3.807 715 H VAL 103 HN VAL 103 116.212 3.348 5.104 716 HA VAL 103 HA VAL 103 116.925 0.536 5.871 717 HB VAL 103 HB VAL 103 114.222 1.694 5.147 718 HG11 VAL 103 HG11 VAL 103 113.511 -0.760 5.575 719 HG12 VAL 103 HG12 VAL 103 115.209 -1.159 5.316 720 HG13 VAL 103 HG13 VAL 103 114.274 -0.404 4.027 721 HG21 VAL 103 HG21 VAL 103 115.141 1.849 7.536 722 HG22 VAL 103 HG22 VAL 103 115.036 0.089 7.575 723 HG23 VAL 103 HG23 VAL 103 113.578 1.054 7.353 724 HA PRO 104 HA PRO 104 117.892 1.467 1.438 725 HB2 PRO 104 HB2 PRO 104 119.844 -0.692 1.526 726 HB3 PRO 104 HB1 PRO 104 120.133 1.044 1.347 727 HG2 PRO 104 HG2 PRO 104 120.689 -0.542 3.659 728 HG3 PRO 104 HG1 PRO 104 120.793 1.220 3.536 729 HD2 PRO 104 HD2 PRO 104 118.766 -0.395 4.901 730 HD3 PRO 104 HD1 PRO 104 119.009 1.362 4.975 731 H VAL 105 HN VAL 105 116.305 0.638 0.157 732 HA VAL 105 HA VAL 105 115.599 -2.241 0.331 733 HB VAL 105 HB VAL 105 114.385 0.126 -1.113 734 HG11 VAL 105 HG11 VAL 105 114.157 -1.827 -2.603 735 HG12 VAL 105 HG12 VAL 105 112.605 -1.444 -1.869 736 HG13 VAL 105 HG13 VAL 105 113.560 -2.787 -1.258 737 HG21 VAL 105 HG21 VAL 105 112.555 -0.192 0.379 738 HG22 VAL 105 HG22 VAL 105 114.015 -0.278 1.366 739 HG23 VAL 105 HG23 VAL 105 113.175 -1.758 0.904 740 H ALA 106 HN ALA 106 116.067 -3.675 -1.350 741 HA ALA 106 HA ALA 106 117.890 -2.669 -3.526 742 HB1 ALA 106 HB1 ALA 106 118.085 -5.493 -2.623 743 HB2 ALA 106 HB2 ALA 106 118.560 -4.277 -1.444 744 HB3 ALA 106 HB3 ALA 106 119.362 -4.339 -3.006 745 H SER 107 HN SER 107 117.183 -3.087 -5.580 746 HA SER 107 HA SER 107 114.862 -4.869 -6.009 747 HB2 SER 107 HB2 SER 107 114.723 -2.851 -7.296 748 HB3 SER 107 HB1 SER 107 116.409 -2.958 -7.786 749 HG SER 107 HG SER 107 114.893 -5.151 -8.437 750 H LEU 108 HN LEU 108 116.157 -6.729 -5.380 751 HA LEU 108 HA LEU 108 117.216 -8.730 -6.005 752 HB2 LEU 108 HB2 LEU 108 116.241 -7.767 -8.399 753 HB3 LEU 108 HB1 LEU 108 117.965 -7.793 -8.741 754 HG LEU 108 HG LEU 108 116.447 -10.170 -7.614 755 HD11 LEU 108 HD11 LEU 108 116.428 -11.050 -9.885 756 HD12 LEU 108 HD12 LEU 108 117.242 -9.602 -10.479 757 HD13 LEU 108 HD13 LEU 108 115.600 -9.493 -9.845 758 HD21 LEU 108 HD21 LEU 108 118.806 -10.348 -7.186 759 HD22 LEU 108 HD22 LEU 108 119.209 -9.764 -8.800 760 HD23 LEU 108 HD23 LEU 108 118.482 -11.357 -8.594 761 H SER 109 HN SER 109 118.445 -5.642 -6.002 762 HA SER 109 HA SER 109 121.247 -6.245 -6.554 763 HB2 SER 109 HB2 SER 109 120.229 -3.842 -5.071 764 HB3 SER 109 HB1 SER 109 121.657 -3.991 -6.089 765 HG SER 109 HG SER 109 119.260 -3.195 -6.791 766 H ASP 110 HN ASP 110 119.096 -6.443 -3.864 767 HA ASP 110 HA ASP 110 119.480 -7.027 -1.609 768 HB2 ASP 110 HB2 ASP 110 121.763 -8.421 -3.030 769 HB3 ASP 110 HB1 ASP 110 121.398 -8.663 -1.322 770 H ASP 111 HN ASP 111 121.138 -4.732 -3.067 771 HA ASP 111 HA ASP 111 122.278 -3.657 -0.688 772 HB2 ASP 111 HB2 ASP 111 124.724 -3.814 -1.500 773 HB3 ASP 111 HB1 ASP 111 124.023 -5.259 -0.776 774 H ALA 112 HN ALA 112 121.906 -3.625 -4.195 775 HA ALA 112 HA ALA 112 122.114 -1.794 -5.701 776 HB1 ALA 112 HB1 ALA 112 120.360 -0.974 -4.039 777 HB2 ALA 112 HB2 ALA 112 121.240 0.291 -4.897 778 HB3 ALA 112 HB3 ALA 112 121.663 -0.102 -3.231 779 H ARG 113 HN ARG 113 124.479 -2.399 -5.746 780 HA ARG 113 HA ARG 113 126.463 -1.238 -4.141 781 HB2 ARG 113 HB2 ARG 113 126.477 -2.862 -6.359 782 HB3 ARG 113 HB1 ARG 113 127.126 -1.383 -7.045 783 HG2 ARG 113 HG2 ARG 113 128.989 -2.692 -6.248 784 HG3 ARG 113 HG1 ARG 113 128.799 -1.321 -5.159 785 HD2 ARG 113 HD2 ARG 113 127.271 -3.747 -4.364 786 HD3 ARG 113 HD1 ARG 113 129.024 -3.914 -4.302 787 HE ARG 113 HE ARG 113 128.546 -1.495 -3.037 788 HH11 ARG 113 HH21 ARG 113 127.414 -4.740 -2.760 789 HH12 ARG 113 HH22 ARG 113 127.147 -4.642 -1.051 790 HH21 ARG 113 HH11 ARG 113 128.204 -1.349 -0.805 791 HH22 ARG 113 HH12 ARG 113 127.594 -2.723 0.055 792 H ARG 114 HN ARG 114 128.144 0.312 -5.563 793 HA ARG 114 HA ARG 114 126.603 2.753 -6.372 794 HB2 ARG 114 HB2 ARG 114 127.591 2.745 -3.956 795 HB3 ARG 114 HB1 ARG 114 129.158 2.874 -4.754 796 HG2 ARG 114 HG2 ARG 114 128.140 4.859 -6.040 797 HG3 ARG 114 HG1 ARG 114 126.845 4.820 -4.851 798 HD2 ARG 114 HD2 ARG 114 128.933 4.781 -3.155 799 HD3 ARG 114 HD1 ARG 114 129.715 5.604 -4.503 800 HE ARG 114 HE ARG 114 127.940 6.816 -2.666 801 HH11 ARG 114 HH21 ARG 114 128.330 6.520 -6.086 802 HH12 ARG 114 HH22 ARG 114 127.317 7.873 -6.443 803 HH21 ARG 114 HH11 ARG 114 126.644 8.591 -3.126 804 HH22 ARG 114 HH12 ARG 114 126.373 9.049 -4.774 805 H LEU 115 HN LEU 115 128.666 0.397 -7.251 806 HA LEU 115 HA LEU 115 130.127 2.125 -9.225 807 HB2 LEU 115 HB2 LEU 115 131.206 -0.417 -7.972 808 HB3 LEU 115 HB1 LEU 115 132.066 0.686 -9.043 809 HG LEU 115 HG LEU 115 130.972 1.494 -6.331 810 HD11 LEU 115 HD11 LEU 115 133.699 0.487 -7.165 811 HD12 LEU 115 HD12 LEU 115 132.657 -0.138 -5.886 812 HD13 LEU 115 HD13 LEU 115 133.443 1.429 -5.696 813 HD21 LEU 115 HD21 LEU 115 131.284 3.432 -7.685 814 HD22 LEU 115 HD22 LEU 115 132.772 2.800 -8.387 815 HD23 LEU 115 HD23 LEU 115 132.744 3.327 -6.706 816 H THR 116 HN THR 116 128.411 -0.845 -8.526 817 HA THR 116 HA THR 116 128.603 -1.701 -11.378 818 HB THR 116 HB THR 116 127.357 -3.760 -10.284 819 HG1 THR 116 HG1 THR 116 127.382 -3.817 -8.183 820 HG21 THR 116 HG21 THR 116 129.564 -4.737 -9.639 821 HG22 THR 116 HG22 THR 116 130.277 -3.131 -9.790 822 HG23 THR 116 HG23 THR 116 129.600 -3.932 -11.208 823 H VAL 117 HN VAL 117 126.056 -2.207 -8.994 824 HA VAL 117 HA VAL 117 123.937 -1.598 -10.832 825 HB VAL 117 HB VAL 117 124.088 -1.575 -7.803 826 HG11 VAL 117 HG11 VAL 117 122.251 -0.149 -8.321 827 HG12 VAL 117 HG12 VAL 117 121.525 -1.730 -8.030 828 HG13 VAL 117 HG13 VAL 117 121.753 -1.155 -9.682 829 HG21 VAL 117 HG21 VAL 117 123.126 -3.567 -9.871 830 HG22 VAL 117 HG22 VAL 117 122.667 -3.682 -8.173 831 HG23 VAL 117 HG23 VAL 117 124.364 -3.795 -8.636 832 H THR 118 HN THR 118 126.288 0.217 -9.351 833 HA THR 118 HA THR 118 126.546 2.463 -8.775 834 HB THR 118 HB THR 118 127.052 2.433 -11.109 835 HG1 THR 118 HG1 THR 118 126.759 4.547 -11.445 836 HG21 THR 118 HG21 THR 118 124.056 2.643 -11.511 837 HG22 THR 118 HG22 THR 118 125.130 1.361 -12.068 838 HG23 THR 118 HG23 THR 118 125.226 2.966 -12.786 839 H SER 119 HN SER 119 124.669 1.931 -7.187 840 HA SER 119 HA SER 119 122.976 2.959 -5.958 841 HB2 SER 119 HB2 SER 119 122.568 5.210 -6.314 842 HB3 SER 119 HB1 SER 119 124.034 5.044 -7.278 843 HG SER 119 HG SER 119 122.722 5.839 -8.753 844 H1 MET 1 HT1 MET 1 118.739 11.701 -14.888 845 H2 MET 1 HT2 MET 1 119.180 12.192 -16.453 846 H3 MET 1 HT3 MET 1 118.404 13.281 -15.406 847 HA MET 1 HA MET 1 121.179 12.668 -15.653 848 HB2 MET 1 HB2 MET 1 119.594 14.747 -14.111 849 HB3 MET 1 HB1 MET 1 121.340 14.788 -14.363 850 HG2 MET 1 HG2 MET 1 119.334 14.689 -16.630 851 HG3 MET 1 HG1 MET 1 120.015 16.189 -16.000 852 HE1 MET 1 HE1 MET 1 122.030 16.137 -19.175 853 HE2 MET 1 HE2 MET 1 120.906 16.964 -18.100 854 HE3 MET 1 HE3 MET 1 120.354 15.584 -19.047 855 H ALA 2 HN ALA 2 121.023 10.522 -14.453 856 HA ALA 2 HA ALA 2 120.392 10.344 -11.692 857 HB1 ALA 2 HB1 ALA 2 122.624 8.799 -13.028 858 HB2 ALA 2 HB2 ALA 2 120.922 8.435 -13.318 859 HB3 ALA 2 HB3 ALA 2 121.592 8.281 -11.694 860 H SER 3 HN SER 3 121.340 11.380 -10.005 861 HA SER 3 HA SER 3 124.250 11.593 -9.827 862 HB2 SER 3 HB2 SER 3 122.534 14.059 -10.209 863 HB3 SER 3 HB1 SER 3 124.158 14.113 -9.529 864 HG SER 3 HG SER 3 124.177 12.618 -11.742 865 H LYS 4 HN LYS 4 121.213 12.974 -8.516 866 HA LYS 4 HA LYS 4 121.565 11.720 -5.953 867 HB2 LYS 4 HB2 LYS 4 121.926 13.946 -4.708 868 HB3 LYS 4 HB1 LYS 4 123.331 13.239 -5.507 869 HG2 LYS 4 HG2 LYS 4 123.102 14.724 -7.392 870 HG3 LYS 4 HG1 LYS 4 121.548 15.314 -6.804 871 HD2 LYS 4 HD2 LYS 4 122.641 16.283 -4.829 872 HD3 LYS 4 HD1 LYS 4 124.199 15.661 -5.373 873 HE2 LYS 4 HE2 LYS 4 122.474 17.653 -6.874 874 HE3 LYS 4 HE1 LYS 4 123.948 18.036 -5.984 875 HZ1 LYS 4 HZ1 LYS 4 123.647 16.460 -8.461 876 HZ2 LYS 4 HZ2 LYS 4 125.019 16.283 -7.474 877 HZ3 LYS 4 HZ3 LYS 4 124.655 17.792 -8.166 878 HA PRO 5 HA PRO 5 117.440 13.606 -7.177 879 HB2 PRO 5 HB2 PRO 5 116.204 11.042 -6.645 880 HB3 PRO 5 HB1 PRO 5 116.362 11.866 -8.202 881 HG2 PRO 5 HG2 PRO 5 117.803 9.526 -7.298 882 HG3 PRO 5 HG1 PRO 5 117.956 10.356 -8.854 883 HD2 PRO 5 HD2 PRO 5 119.832 10.374 -6.643 884 HD3 PRO 5 HD1 PRO 5 119.996 11.180 -8.215 885 H GLU 6 HN GLU 6 117.320 14.811 -5.260 886 HA GLU 6 HA GLU 6 117.148 13.466 -2.652 887 HB2 GLU 6 HB2 GLU 6 116.651 16.397 -3.196 888 HB3 GLU 6 HB1 GLU 6 117.228 15.645 -1.709 889 HG2 GLU 6 HG2 GLU 6 119.300 14.947 -2.916 890 HG3 GLU 6 HG1 GLU 6 118.731 15.827 -4.335 891 H LYS 7 HN LYS 7 115.294 15.385 -1.522 892 HA LYS 7 HA LYS 7 113.040 15.116 -0.837 893 HB2 LYS 7 HB2 LYS 7 111.547 16.080 -2.709 894 HB3 LYS 7 HB1 LYS 7 112.852 17.093 -2.098 895 HG2 LYS 7 HG2 LYS 7 114.266 16.499 -3.985 896 HG3 LYS 7 HG1 LYS 7 113.061 15.350 -4.569 897 HD2 LYS 7 HD2 LYS 7 111.530 17.072 -5.135 898 HD3 LYS 7 HD1 LYS 7 112.406 18.274 -4.186 899 HE2 LYS 7 HE2 LYS 7 113.621 16.881 -6.582 900 HE3 LYS 7 HE1 LYS 7 112.752 18.410 -6.705 901 HZ1 LYS 7 HZ1 LYS 7 114.672 19.372 -6.195 902 HZ2 LYS 7 HZ2 LYS 7 115.396 17.899 -5.756 903 HZ3 LYS 7 HZ3 LYS 7 114.479 18.771 -4.621 904 H ARG 8 HN ARG 8 113.043 12.735 -0.691 905 HA ARG 8 HA ARG 8 111.901 11.258 -2.983 906 HB2 ARG 8 HB2 ARG 8 112.275 10.137 -0.201 907 HB3 ARG 8 HB1 ARG 8 112.379 9.307 -1.756 908 HG2 ARG 8 HG2 ARG 8 114.382 10.867 -2.227 909 HG3 ARG 8 HG1 ARG 8 114.380 11.184 -0.497 910 HD2 ARG 8 HD2 ARG 8 114.258 8.441 -0.521 911 HD3 ARG 8 HD1 ARG 8 115.217 8.740 -1.966 912 HE ARG 8 HE ARG 8 116.208 8.862 0.664 913 HH11 ARG 8 HH21 ARG 8 116.066 10.908 -2.117 914 HH12 ARG 8 HH22 ARG 8 117.380 11.906 -1.603 915 HH21 ARG 8 HH11 ARG 8 117.928 10.146 1.326 916 HH22 ARG 8 HH12 ARG 8 118.438 11.472 0.335 917 H VAL 9 HN VAL 9 109.822 10.095 -2.707 918 HA VAL 9 HA VAL 9 107.692 11.696 -1.866 919 HB VAL 9 HB VAL 9 107.979 8.702 -2.109 920 HG11 VAL 9 HG11 VAL 9 105.546 10.304 -1.287 921 HG12 VAL 9 HG12 VAL 9 106.244 8.903 -0.473 922 HG13 VAL 9 HG13 VAL 9 105.418 8.704 -2.018 923 HG21 VAL 9 HG21 VAL 9 108.010 10.074 -4.162 924 HG22 VAL 9 HG22 VAL 9 106.460 10.782 -3.707 925 HG23 VAL 9 HG23 VAL 9 106.567 9.064 -4.092 926 H ALA 10 HN ALA 10 106.281 11.483 0.067 927 HA ALA 10 HA ALA 10 107.805 10.641 2.520 928 HB1 ALA 10 HB1 ALA 10 106.754 12.531 3.688 929 HB2 ALA 10 HB2 ALA 10 105.934 13.004 2.200 930 HB3 ALA 10 HB3 ALA 10 107.692 13.098 2.306 931 H SER 11 HN SER 11 106.532 9.862 4.274 932 HA SER 11 HA SER 11 103.645 9.370 3.793 933 HB2 SER 11 HB2 SER 11 104.369 7.356 2.847 934 HB3 SER 11 HB1 SER 11 105.770 7.246 3.907 935 HG SER 11 HG SER 11 104.025 5.799 4.451 936 H SER 12 HN SER 12 102.502 9.027 5.754 937 HA SER 12 HA SER 12 104.076 8.895 8.274 938 HB2 SER 12 HB2 SER 12 102.716 10.808 9.195 939 HB3 SER 12 HB1 SER 12 103.864 11.275 7.943 940 HG SER 12 HG SER 12 102.170 12.066 6.987 941 H VAL 13 HN VAL 13 103.116 7.488 9.618 942 HA VAL 13 HA VAL 13 100.284 7.369 10.092 943 HB VAL 13 HB VAL 13 100.281 6.279 7.895 944 HG11 VAL 13 HG11 VAL 13 101.592 4.368 7.380 945 HG12 VAL 13 HG12 VAL 13 102.046 4.131 9.067 946 HG13 VAL 13 HG13 VAL 13 102.707 5.490 8.159 947 HG21 VAL 13 HG21 VAL 13 98.958 4.435 8.490 948 HG22 VAL 13 HG22 VAL 13 98.890 5.424 9.946 949 HG23 VAL 13 HG23 VAL 13 99.968 4.029 9.876 950 H PHE 14 HN PHE 14 99.851 5.225 11.464 951 HA PHE 14 HA PHE 14 101.983 3.784 12.607 952 HB2 PHE 14 HB2 PHE 14 101.928 5.226 14.872 953 HB3 PHE 14 HB1 PHE 14 103.070 5.534 13.594 954 HD1 PHE 14 HD2 PHE 14 99.419 6.337 13.683 955 HD2 PHE 14 HD1 PHE 14 103.415 7.908 13.713 956 HE1 PHE 14 HE2 PHE 14 98.554 8.638 13.541 957 HE2 PHE 14 HE1 PHE 14 102.551 10.171 13.623 958 HZ PHE 14 HZ PHE 14 100.100 10.569 13.511 959 H ILE 15 HN ILE 15 101.341 3.567 15.280 960 HA ILE 15 HA ILE 15 98.412 2.984 15.376 961 HB ILE 15 HB ILE 15 99.152 0.812 16.583 962 HG12 ILE 15 HG12 ILE 15 101.636 1.256 14.918 963 HG13 ILE 15 HG11 ILE 15 101.577 1.621 16.642 964 HG21 ILE 15 HG21 ILE 15 98.051 0.660 14.458 965 HG22 ILE 15 HG22 ILE 15 99.496 -0.344 14.340 966 HG23 ILE 15 HG23 ILE 15 99.476 1.260 13.609 967 HD11 ILE 15 HD11 ILE 15 102.462 -0.677 16.125 968 HD12 ILE 15 HD12 ILE 15 100.877 -1.083 15.467 969 HD13 ILE 15 HD13 ILE 15 101.046 -0.680 17.176 970 H THR 16 HN THR 16 97.537 3.375 17.407 971 HA THR 16 HA THR 16 99.355 4.600 19.414 972 HB THR 16 HB THR 16 97.281 5.393 20.471 973 HG1 THR 16 HG1 THR 16 95.330 4.911 19.143 974 HG21 THR 16 HG21 THR 16 96.435 6.770 18.571 975 HG22 THR 16 HG22 THR 16 97.358 5.754 17.463 976 HG23 THR 16 HG23 THR 16 98.196 6.743 18.659 977 H LEU 17 HN LEU 17 99.892 3.563 21.287 978 HA LEU 17 HA LEU 17 98.746 0.867 21.774 979 HB2 LEU 17 HB2 LEU 17 101.130 2.367 22.876 980 HB3 LEU 17 HB1 LEU 17 100.570 0.860 23.595 981 HG LEU 17 HG LEU 17 102.405 0.551 21.909 982 HD11 LEU 17 HD11 LEU 17 100.370 -1.110 22.384 983 HD12 LEU 17 HD12 LEU 17 101.548 -1.446 21.120 984 HD13 LEU 17 HD13 LEU 17 99.985 -0.752 20.699 985 HD21 LEU 17 HD21 LEU 17 102.071 1.021 19.610 986 HD22 LEU 17 HD22 LEU 17 101.463 2.452 20.441 987 HD23 LEU 17 HD23 LEU 17 100.335 1.246 19.821 988 H ALA 18 HN ALA 18 96.850 0.984 22.893 989 HA ALA 18 HA ALA 18 96.864 2.268 25.547 990 HB1 ALA 18 HB1 ALA 18 96.152 4.052 23.946 991 HB2 ALA 18 HB2 ALA 18 94.911 3.638 25.128 992 HB3 ALA 18 HB3 ALA 18 94.794 3.030 23.477 993 HA PRO 19 HA PRO 19 94.603 -1.759 25.255 994 HB2 PRO 19 HB2 PRO 19 95.058 -2.041 28.130 995 HB3 PRO 19 HB1 PRO 19 95.685 -3.044 26.814 996 HG2 PRO 19 HG2 PRO 19 97.181 -1.187 28.380 997 HG3 PRO 19 HG1 PRO 19 97.738 -2.029 26.927 998 HD2 PRO 19 HD2 PRO 19 97.014 0.788 27.233 999 HD3 PRO 19 HD1 PRO 19 97.774 -0.007 25.836 1000 HA PRO 20 HA PRO 20 90.693 -0.388 26.723 1001 HB2 PRO 20 HB2 PRO 20 89.868 -2.697 28.228 1002 HB3 PRO 20 HB1 PRO 20 89.478 -2.319 26.545 1003 HG2 PRO 20 HG2 PRO 20 91.371 -4.312 27.568 1004 HG3 PRO 20 HG1 PRO 20 90.789 -4.091 25.911 1005 HD2 PRO 20 HD2 PRO 20 93.388 -3.438 26.889 1006 HD3 PRO 20 HD1 PRO 20 92.709 -3.002 25.307 1007 H ARG 21 HN ARG 21 91.329 -2.513 29.504 1008 HA ARG 21 HA ARG 21 90.592 -0.563 31.429 1009 HB2 ARG 21 HB2 ARG 21 91.883 -2.062 33.047 1010 HB3 ARG 21 HB1 ARG 21 90.586 -2.833 32.140 1011 HG2 ARG 21 HG2 ARG 21 93.240 -2.904 30.783 1012 HG3 ARG 21 HG1 ARG 21 93.169 -3.809 32.292 1013 HD2 ARG 21 HD2 ARG 21 91.474 -5.240 31.506 1014 HD3 ARG 21 HD1 ARG 21 91.019 -4.141 30.204 1015 HE ARG 21 HE ARG 21 93.615 -4.801 29.571 1016 HH11 ARG 21 HH21 ARG 21 90.760 -6.543 30.404 1017 HH12 ARG 21 HH22 ARG 21 91.157 -7.922 29.433 1018 HH21 ARG 21 HH11 ARG 21 94.151 -6.591 28.297 1019 HH22 ARG 21 HH12 ARG 21 93.076 -7.948 28.239 1020 H ARG 22 HN ARG 22 92.116 0.318 33.137 1021 HA ARG 22 HA ARG 22 94.178 1.894 31.868 1022 HB2 ARG 22 HB2 ARG 22 93.882 1.479 34.849 1023 HB3 ARG 22 HB1 ARG 22 94.476 2.906 34.002 1024 HG2 ARG 22 HG2 ARG 22 91.631 1.851 33.953 1025 HG3 ARG 22 HG1 ARG 22 92.184 3.276 34.819 1026 HD2 ARG 22 HD2 ARG 22 92.068 2.861 31.831 1027 HD3 ARG 22 HD1 ARG 22 91.189 4.055 32.773 1028 HE ARG 22 HE ARG 22 93.820 4.350 31.648 1029 HH11 ARG 22 HH21 ARG 22 92.073 4.995 34.560 1030 HH12 ARG 22 HH22 ARG 22 93.220 6.159 35.130 1031 HH21 ARG 22 HH11 ARG 22 95.295 5.873 32.376 1032 HH22 ARG 22 HH12 ARG 22 95.033 6.660 33.896 1033 H ASP 23 HN ASP 23 95.610 1.113 34.721 1034 HA ASP 23 HA ASP 23 97.055 -1.282 33.712 1035 HB2 ASP 23 HB2 ASP 23 99.237 -0.050 34.363 1036 HB3 ASP 23 HB1 ASP 23 98.482 0.393 32.832 1037 H VAL 24 HN VAL 24 98.228 0.888 36.220 1038 HA VAL 24 HA VAL 24 98.592 0.467 38.501 1039 HB VAL 24 HB VAL 24 95.896 -0.906 38.358 1040 HG11 VAL 24 HG11 VAL 24 96.968 -1.112 40.513 1041 HG12 VAL 24 HG12 VAL 24 95.716 0.120 40.658 1042 HG13 VAL 24 HG13 VAL 24 97.407 0.596 40.515 1043 HG21 VAL 24 HG21 VAL 24 96.630 2.029 38.311 1044 HG22 VAL 24 HG22 VAL 24 95.065 1.475 38.907 1045 HG23 VAL 24 HG23 VAL 24 95.533 1.160 37.237 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 119.911 12.650 43.325 2 H2 GLY 1 HT2 GLY 1 121.529 12.664 42.811 3 H3 GLY 1 HT3 GLY 1 121.153 12.286 44.423 4 HA2 GLY 1 HA2 GLY 1 119.792 10.293 43.608 5 HA3 GLY 1 HA1 GLY 1 120.700 10.602 42.102 6 H ILE 2 HN ILE 2 120.964 8.194 43.118 7 HA ILE 2 HA ILE 2 123.570 7.984 41.971 8 HB ILE 2 HB ILE 2 124.104 8.958 44.257 9 HG12 ILE 2 HG12 ILE 2 125.744 6.927 44.797 10 HG13 ILE 2 HG11 ILE 2 125.154 6.312 43.256 11 HG21 ILE 2 HG21 ILE 2 123.583 6.293 45.517 12 HG22 ILE 2 HG22 ILE 2 122.183 7.328 45.239 13 HG23 ILE 2 HG23 ILE 2 123.525 7.906 46.223 14 HD11 ILE 2 HD11 ILE 2 126.367 9.062 43.672 15 HD12 ILE 2 HD12 ILE 2 125.856 8.374 42.131 16 HD13 ILE 2 HD13 ILE 2 127.219 7.673 43.000 17 HA PRO 3 HA PRO 3 120.479 4.344 42.542 18 HB2 PRO 3 HB2 PRO 3 120.492 4.100 39.662 19 HB3 PRO 3 HB1 PRO 3 119.130 4.526 40.704 20 HG2 PRO 3 HG2 PRO 3 120.720 6.288 38.983 21 HG3 PRO 3 HG1 PRO 3 119.210 6.646 39.833 22 HD2 PRO 3 HD2 PRO 3 121.760 7.655 40.522 23 HD3 PRO 3 HD1 PRO 3 120.308 7.677 41.547 24 H GLU 4 HN GLU 4 122.406 4.308 39.587 25 HA GLU 4 HA GLU 4 124.309 2.974 39.048 26 HB2 GLU 4 HB2 GLU 4 124.916 3.635 41.615 27 HB3 GLU 4 HB1 GLU 4 124.585 1.921 41.859 28 HG2 GLU 4 HG2 GLU 4 126.548 3.069 39.849 29 HG3 GLU 4 HG1 GLU 4 126.973 2.292 41.375 30 H PHE 5 HN PHE 5 121.571 2.237 40.744 31 HA PHE 5 HA PHE 5 121.473 -0.657 40.286 32 HB2 PHE 5 HB2 PHE 5 120.016 1.480 41.842 33 HB3 PHE 5 HB1 PHE 5 118.995 0.167 41.206 34 HD1 PHE 5 HD2 PHE 5 121.877 0.952 43.403 35 HD2 PHE 5 HD1 PHE 5 119.135 -2.080 42.083 36 HE1 PHE 5 HE2 PHE 5 122.623 -0.526 45.248 37 HE2 PHE 5 HE1 PHE 5 119.881 -3.558 43.929 38 HZ PHE 5 HZ PHE 5 121.625 -2.781 45.512 39 H PHE 6 HN PHE 6 121.655 1.734 38.419 40 HA PHE 6 HA PHE 6 120.731 2.605 36.508 41 HB2 PHE 6 HB2 PHE 6 119.851 0.910 34.904 42 HB3 PHE 6 HB1 PHE 6 121.417 0.476 35.587 43 HD1 PHE 6 HD1 PHE 6 121.620 -1.309 37.270 44 HD2 PHE 6 HD2 PHE 6 117.837 -0.358 35.469 45 HE1 PHE 6 HE1 PHE 6 120.684 -3.449 38.102 46 HE2 PHE 6 HE2 PHE 6 116.901 -2.493 36.307 47 HZ PHE 6 HZ PHE 6 118.324 -4.040 37.622 48 H GLN 7 HN GLN 7 118.351 1.673 35.145 49 HA GLN 7 HA GLN 7 115.990 1.847 35.264 50 HB2 GLN 7 HB2 GLN 7 116.396 1.113 37.829 51 HB3 GLN 7 HB1 GLN 7 116.039 2.814 38.122 52 HG2 GLN 7 HG2 GLN 7 113.943 1.674 38.248 53 HG3 GLN 7 HG1 GLN 7 113.955 2.488 36.683 54 HE21 GLN 7 HE21 GLN 7 115.549 -0.581 37.697 55 HE22 GLN 7 HE22 GLN 7 114.790 -1.537 36.517 56 H PHE 8 HN PHE 8 118.484 3.845 35.959 57 HA PHE 8 HA PHE 8 117.140 6.160 34.833 58 HB2 PHE 8 HB2 PHE 8 116.690 6.427 37.277 59 HB3 PHE 8 HB1 PHE 8 118.429 6.367 37.569 60 HD1 PHE 8 HD1 PHE 8 115.666 8.345 36.133 61 HD2 PHE 8 HD2 PHE 8 119.883 8.217 36.942 62 HE1 PHE 8 HE1 PHE 8 115.832 10.772 35.652 63 HE2 PHE 8 HE2 PHE 8 120.049 10.644 36.462 64 HZ PHE 8 HZ PHE 8 118.023 11.922 35.816 65 H THR 9 HN THR 9 119.981 4.677 36.191 66 HA THR 9 HA THR 9 121.767 6.434 34.592 67 HB THR 9 HB THR 9 122.553 4.047 36.293 68 HG1 THR 9 HG1 THR 9 122.887 5.601 37.944 69 HG21 THR 9 HG21 THR 9 124.672 5.416 36.487 70 HG22 THR 9 HG22 THR 9 124.000 6.503 35.273 71 HG23 THR 9 HG23 THR 9 124.327 4.819 34.864 72 H VAL 10 HN VAL 10 119.777 3.942 34.119 73 HA VAL 10 HA VAL 10 120.974 1.801 32.908 74 HB VAL 10 HB VAL 10 118.552 2.060 32.978 75 HG11 VAL 10 HG11 VAL 10 118.868 4.110 30.773 76 HG12 VAL 10 HG12 VAL 10 118.602 4.528 32.465 77 HG13 VAL 10 HG13 VAL 10 117.374 3.628 31.574 78 HG21 VAL 10 HG21 VAL 10 119.655 0.609 31.210 79 HG22 VAL 10 HG22 VAL 10 119.409 1.936 30.076 80 HG23 VAL 10 HG23 VAL 10 118.021 1.143 30.819 81 H GLY 11 HN GLY 11 120.676 5.048 31.592 82 HA2 GLY 11 HA2 GLY 11 122.898 5.491 30.223 83 HA3 GLY 11 HA1 GLY 11 122.197 4.297 29.142 84 HA PRO 12 HA PRO 12 119.897 7.616 27.259 85 HB2 PRO 12 HB2 PRO 12 117.553 6.239 26.547 86 HB3 PRO 12 HB1 PRO 12 119.052 6.241 25.606 87 HG2 PRO 12 HG2 PRO 12 117.949 4.104 27.361 88 HG3 PRO 12 HG1 PRO 12 119.045 3.962 25.979 89 HD2 PRO 12 HD2 PRO 12 119.818 3.759 28.669 90 HD3 PRO 12 HD1 PRO 12 120.911 4.092 27.309 91 H LEU 13 HN LEU 13 119.674 7.243 30.145 92 HA LEU 13 HA LEU 13 118.277 7.649 31.976 93 HB2 LEU 13 HB2 LEU 13 116.587 9.726 30.961 94 HB3 LEU 13 HB1 LEU 13 118.043 9.912 31.923 95 HG LEU 13 HG LEU 13 117.896 9.803 28.894 96 HD11 LEU 13 HD11 LEU 13 118.675 12.161 29.110 97 HD12 LEU 13 HD12 LEU 13 118.483 12.028 30.858 98 HD13 LEU 13 HD13 LEU 13 117.076 11.892 29.804 99 HD21 LEU 13 HD21 LEU 13 120.095 9.237 28.941 100 HD22 LEU 13 HD22 LEU 13 120.133 9.286 30.701 101 HD23 LEU 13 HD23 LEU 13 120.442 10.750 29.771 102 H GLY 14 HN GLY 14 117.344 5.726 29.937 103 HA2 GLY 14 HA2 GLY 14 115.478 4.314 29.731 104 HA3 GLY 14 HA1 GLY 14 114.723 5.222 31.042 105 H GLU 15 HN GLU 15 114.848 7.797 29.836 106 HA GLU 15 HA GLU 15 113.370 9.114 28.572 107 HB2 GLU 15 HB2 GLU 15 115.118 8.360 26.905 108 HB3 GLU 15 HB1 GLU 15 114.010 7.078 26.428 109 HG2 GLU 15 HG2 GLU 15 112.447 8.581 25.516 110 HG3 GLU 15 HG1 GLU 15 113.076 9.946 26.436 111 H GLY 16 HN GLY 16 112.447 6.435 29.850 112 HA2 GLY 16 HA2 GLY 16 110.383 5.394 30.147 113 HA3 GLY 16 HA1 GLY 16 109.668 6.711 29.215 114 H GLY 17 HN GLY 17 110.211 3.427 29.216 115 HA2 GLY 17 HA2 GLY 17 109.393 1.938 27.536 116 HA3 GLY 17 HA1 GLY 17 109.467 3.237 26.356 117 H ALA 18 HN ALA 18 111.981 4.092 26.410 118 HA ALA 18 HA ALA 18 113.487 2.442 24.813 119 HB1 ALA 18 HB1 ALA 18 113.961 4.846 25.847 120 HB2 ALA 18 HB2 ALA 18 115.278 3.874 25.195 121 HB3 ALA 18 HB3 ALA 18 114.999 3.934 26.936 122 H HIS 19 HN HIS 19 112.851 1.909 28.144 123 HA HIS 19 HA HIS 19 115.141 0.117 28.519 124 HB2 HIS 19 HB2 HIS 19 114.449 1.345 30.453 125 HB3 HIS 19 HB1 HIS 19 112.763 0.887 30.223 126 HD1 HIS 19 HD1 HIS 19 115.849 -1.353 30.218 127 HD2 HIS 19 HD2 HIS 19 112.322 -0.817 32.375 128 HE1 HIS 19 HE1 HIS 19 115.741 -3.246 31.897 129 H LYS 20 HN LYS 20 111.615 -0.189 28.056 130 HA LYS 20 HA LYS 20 111.898 -3.158 27.962 131 HB2 LYS 20 HB2 LYS 20 109.463 -3.187 28.078 132 HB3 LYS 20 HB1 LYS 20 110.112 -2.184 29.368 133 HG2 LYS 20 HG2 LYS 20 108.659 -0.584 28.628 134 HG3 LYS 20 HG1 LYS 20 109.794 -0.338 27.304 135 HD2 LYS 20 HD2 LYS 20 108.514 -2.244 26.118 136 HD3 LYS 20 HD1 LYS 20 107.275 -2.004 27.343 137 HE2 LYS 20 HE2 LYS 20 107.888 0.596 26.359 138 HE3 LYS 20 HE1 LYS 20 107.758 -0.445 24.944 139 HZ1 LYS 20 HZ1 LYS 20 105.600 -1.008 25.446 140 HZ2 LYS 20 HZ2 LYS 20 105.651 0.623 25.921 141 HZ3 LYS 20 HZ3 LYS 20 105.748 -0.609 27.088 142 H VAL 21 HN VAL 21 111.169 -0.396 25.901 143 HA VAL 21 HA VAL 21 109.939 -1.680 23.728 144 HB VAL 21 HB VAL 21 112.033 0.516 23.645 145 HG11 VAL 21 HG11 VAL 21 110.102 -0.569 21.587 146 HG12 VAL 21 HG12 VAL 21 111.844 -0.339 21.433 147 HG13 VAL 21 HG13 VAL 21 110.771 1.059 21.473 148 HG21 VAL 21 HG21 VAL 21 109.846 0.822 25.011 149 HG22 VAL 21 HG22 VAL 21 109.031 0.823 23.447 150 HG23 VAL 21 HG23 VAL 21 110.239 2.055 23.813 151 H ARG 22 HN ARG 22 110.560 -3.513 22.820 152 HA ARG 22 HA ARG 22 113.467 -3.963 22.223 153 HB2 ARG 22 HB2 ARG 22 112.582 -5.528 23.901 154 HB3 ARG 22 HB1 ARG 22 111.267 -5.959 22.811 155 HG2 ARG 22 HG2 ARG 22 113.072 -7.644 22.725 156 HG3 ARG 22 HG1 ARG 22 112.910 -6.841 21.173 157 HD2 ARG 22 HD2 ARG 22 114.918 -5.709 21.390 158 HD3 ARG 22 HD1 ARG 22 114.831 -5.630 23.144 159 HE ARG 22 HE ARG 22 116.205 -7.608 21.554 160 HH11 ARG 22 HH21 ARG 22 114.188 -7.344 24.346 161 HH12 ARG 22 HH22 ARG 22 114.683 -8.871 24.996 162 HH21 ARG 22 HH11 ARG 22 116.855 -9.581 22.393 163 HH22 ARG 22 HH12 ARG 22 116.190 -10.134 23.893 164 H ALA 23 HN ALA 23 113.972 -4.396 20.116 165 HA ALA 23 HA ALA 23 111.820 -5.142 18.206 166 HB1 ALA 23 HB1 ALA 23 111.856 -2.718 18.044 167 HB2 ALA 23 HB2 ALA 23 112.649 -3.378 16.614 168 HB3 ALA 23 HB3 ALA 23 113.615 -2.712 17.929 169 H GLY 24 HN GLY 24 112.644 -6.970 17.313 170 HA2 GLY 24 HA2 GLY 24 115.392 -6.896 16.195 171 HA3 GLY 24 HA1 GLY 24 115.050 -8.144 17.395 172 H GLY 25 HN GLY 25 115.266 -7.718 14.166 173 HA2 GLY 25 HA2 GLY 25 114.058 -10.207 13.505 174 HA3 GLY 25 HA1 GLY 25 112.925 -8.927 13.091 175 H THR 26 HN THR 26 113.684 -10.253 10.949 176 HA THR 26 HA THR 26 116.160 -9.313 9.776 177 HB THR 26 HB THR 26 113.816 -10.531 8.311 178 HG1 THR 26 HG1 THR 26 114.214 -12.303 9.327 179 HG21 THR 26 HG21 THR 26 115.573 -9.670 6.874 180 HG22 THR 26 HG22 THR 26 115.669 -11.431 6.888 181 HG23 THR 26 HG23 THR 26 116.808 -10.478 7.839 182 H GLY 27 HN GLY 27 113.070 -7.950 10.172 183 HA2 GLY 27 HA2 GLY 27 112.905 -6.423 7.731 184 HA3 GLY 27 HA1 GLY 27 112.057 -6.045 9.234 185 H LEU 28 HN LEU 28 114.861 -6.249 10.510 186 HA LEU 28 HA LEU 28 115.522 -3.379 10.164 187 HB2 LEU 28 HB2 LEU 28 116.813 -5.355 12.058 188 HB3 LEU 28 HB1 LEU 28 116.723 -3.600 12.208 189 HG LEU 28 HG LEU 28 114.400 -5.538 12.392 190 HD11 LEU 28 HD11 LEU 28 115.501 -3.635 14.475 191 HD12 LEU 28 HD12 LEU 28 115.983 -5.328 14.368 192 HD13 LEU 28 HD13 LEU 28 114.304 -4.908 14.709 193 HD21 LEU 28 HD21 LEU 28 113.192 -3.360 13.080 194 HD22 LEU 28 HD22 LEU 28 113.525 -3.581 11.363 195 HD23 LEU 28 HD23 LEU 28 114.547 -2.516 12.330 196 H GLU 29 HN GLU 29 116.484 -6.394 8.977 197 HA GLU 29 HA GLU 29 119.326 -5.753 8.666 198 HB2 GLU 29 HB2 GLU 29 117.639 -7.998 7.528 199 HB3 GLU 29 HB1 GLU 29 119.398 -7.896 7.431 200 HG2 GLU 29 HG2 GLU 29 117.960 -7.755 10.088 201 HG3 GLU 29 HG1 GLU 29 118.400 -9.297 9.365 202 H ARG 30 HN ARG 30 116.611 -6.292 6.361 203 HA ARG 30 HA ARG 30 117.298 -4.022 4.746 204 HB2 ARG 30 HB2 ARG 30 118.124 -5.403 2.741 205 HB3 ARG 30 HB1 ARG 30 119.275 -5.157 4.053 206 HG2 ARG 30 HG2 ARG 30 118.906 -7.354 4.920 207 HG3 ARG 30 HG1 ARG 30 117.485 -7.590 3.903 208 HD2 ARG 30 HD2 ARG 30 119.345 -8.800 2.916 209 HD3 ARG 30 HD1 ARG 30 118.970 -7.417 1.888 210 HE ARG 30 HE ARG 30 120.925 -6.458 3.602 211 HH11 ARG 30 HH21 ARG 30 120.546 -9.156 1.491 212 HH12 ARG 30 HH22 ARG 30 122.233 -9.269 1.115 213 HH21 ARG 30 HH11 ARG 30 123.131 -6.589 3.124 214 HH22 ARG 30 HH12 ARG 30 123.697 -7.816 2.040 215 H GLY 31 HN GLY 31 116.310 -4.507 2.342 216 HA2 GLY 31 HA2 GLY 31 113.917 -6.257 2.561 217 HA3 GLY 31 HA1 GLY 31 113.655 -4.536 2.269 218 H VAL 32 HN VAL 32 112.735 -6.113 0.297 219 HA VAL 32 HA VAL 32 114.746 -5.715 -1.879 220 HB VAL 32 HB VAL 32 113.127 -8.181 -1.265 221 HG11 VAL 32 HG11 VAL 32 112.712 -7.833 -3.608 222 HG12 VAL 32 HG12 VAL 32 114.004 -9.026 -3.505 223 HG13 VAL 32 HG13 VAL 32 114.381 -7.350 -3.892 224 HG21 VAL 32 HG21 VAL 32 116.025 -7.949 -2.068 225 HG22 VAL 32 HG22 VAL 32 115.222 -9.290 -1.256 226 HG23 VAL 32 HG23 VAL 32 115.506 -7.780 -0.392 227 H ALA 33 HN ALA 33 113.887 -5.203 -3.898 228 HA ALA 33 HA ALA 33 111.832 -3.423 -4.118 229 HB1 ALA 33 HB1 ALA 33 112.121 -3.579 -6.397 230 HB2 ALA 33 HB2 ALA 33 112.010 -5.341 -6.403 231 HB3 ALA 33 HB3 ALA 33 113.499 -4.556 -5.901 232 H GLY 34 HN GLY 34 109.777 -3.573 -3.426 233 HA2 GLY 34 HA2 GLY 34 107.579 -4.318 -3.193 234 HA3 GLY 34 HA1 GLY 34 107.845 -5.174 -4.704 235 H VAL 35 HN VAL 35 109.303 -5.651 -1.472 236 HA VAL 35 HA VAL 35 108.153 -8.406 -1.487 237 HB VAL 35 HB VAL 35 110.951 -7.497 -0.856 238 HG11 VAL 35 HG11 VAL 35 111.282 -9.916 -0.071 239 HG12 VAL 35 HG12 VAL 35 109.527 -10.001 0.074 240 HG13 VAL 35 HG13 VAL 35 110.437 -8.847 1.048 241 HG21 VAL 35 HG21 VAL 35 111.494 -9.403 -2.368 242 HG22 VAL 35 HG22 VAL 35 110.459 -8.212 -3.156 243 HG23 VAL 35 HG23 VAL 35 109.771 -9.719 -2.556 244 HA PRO 36 HA PRO 36 106.529 -6.731 2.378 245 HB2 PRO 36 HB2 PRO 36 105.904 -9.375 3.392 246 HB3 PRO 36 HB1 PRO 36 104.785 -8.162 2.754 247 HG2 PRO 36 HG2 PRO 36 105.644 -10.616 1.478 248 HG3 PRO 36 HG1 PRO 36 104.504 -9.413 0.859 249 HD2 PRO 36 HD2 PRO 36 107.192 -9.910 -0.057 250 HD3 PRO 36 HD1 PRO 36 106.061 -8.665 -0.637 251 H ALA 37 HN ALA 37 108.073 -6.065 3.791 252 HA ALA 37 HA ALA 37 110.022 -8.072 4.884 253 HB1 ALA 37 HB1 ALA 37 111.249 -5.920 5.592 254 HB2 ALA 37 HB2 ALA 37 110.133 -5.070 4.525 255 HB3 ALA 37 HB3 ALA 37 111.228 -6.284 3.867 256 H GLU 38 HN GLU 38 110.389 -7.965 7.246 257 HA GLU 38 HA GLU 38 108.642 -6.266 8.837 258 HB2 GLU 38 HB2 GLU 38 107.093 -7.860 9.633 259 HB3 GLU 38 HB1 GLU 38 107.180 -8.188 7.903 260 HG2 GLU 38 HG2 GLU 38 109.014 -9.908 8.523 261 HG3 GLU 38 HG1 GLU 38 108.420 -9.740 10.178 262 H PHE 39 HN PHE 39 108.699 -6.896 11.151 263 HA PHE 39 HA PHE 39 110.904 -8.599 12.015 264 HB2 PHE 39 HB2 PHE 39 112.044 -6.794 13.315 265 HB3 PHE 39 HB1 PHE 39 112.195 -6.584 11.575 266 HD1 PHE 39 HD2 PHE 39 110.285 -5.133 10.465 267 HD2 PHE 39 HD1 PHE 39 111.374 -4.962 14.607 268 HE1 PHE 39 HE2 PHE 39 109.305 -2.862 10.622 269 HE2 PHE 39 HE1 PHE 39 110.402 -2.689 14.771 270 HZ PHE 39 HZ PHE 39 109.366 -1.637 12.778 271 H SER 40 HN SER 40 110.996 -8.451 14.502 272 HA SER 40 HA SER 40 108.169 -8.438 15.452 273 HB2 SER 40 HB2 SER 40 108.925 -9.901 17.214 274 HB3 SER 40 HB1 SER 40 109.593 -10.498 15.697 275 HG SER 40 HG SER 40 111.454 -9.056 16.325 276 H ILE 41 HN ILE 41 107.593 -7.414 17.415 277 HA ILE 41 HA ILE 41 109.594 -5.646 18.716 278 HB ILE 41 HB ILE 41 106.892 -4.586 17.860 279 HG12 ILE 41 HG12 ILE 41 109.593 -4.299 16.511 280 HG13 ILE 41 HG11 ILE 41 108.134 -5.004 15.818 281 HG21 ILE 41 HG21 ILE 41 108.183 -3.608 19.842 282 HG22 ILE 41 HG22 ILE 41 107.746 -2.473 18.566 283 HG23 ILE 41 HG23 ILE 41 109.394 -3.093 18.668 284 HD11 ILE 41 HD11 ILE 41 107.078 -2.645 16.368 285 HD12 ILE 41 HD12 ILE 41 108.067 -2.847 14.926 286 HD13 ILE 41 HD13 ILE 41 108.761 -2.117 16.370 287 H TRP 42 HN TRP 42 109.456 -6.581 20.720 288 HA TRP 42 HA TRP 42 106.741 -7.142 21.857 289 HB2 TRP 42 HB2 TRP 42 107.962 -9.092 22.188 290 HB3 TRP 42 HB1 TRP 42 109.492 -8.237 22.289 291 HD1 TRP 42 HD1 TRP 42 110.054 -7.007 24.637 292 HE1 TRP 42 HE1 TRP 42 109.305 -7.567 27.040 293 HE3 TRP 42 HE3 TRP 42 106.067 -10.040 23.636 294 HZ2 TRP 42 HZ2 TRP 42 107.284 -9.098 28.362 295 HZ3 TRP 42 HZ3 TRP 42 104.750 -11.034 25.486 296 HH2 TRP 42 HH2 TRP 42 105.352 -10.568 27.844 297 H THR 43 HN THR 43 106.539 -6.552 24.244 298 HA THR 43 HA THR 43 108.243 -4.317 25.133 299 HB THR 43 HB THR 43 106.230 -2.824 25.432 300 HG1 THR 43 HG1 THR 43 104.441 -3.893 25.182 301 HG21 THR 43 HG21 THR 43 106.618 -3.576 22.534 302 HG22 THR 43 HG22 THR 43 107.862 -2.736 23.458 303 HG23 THR 43 HG23 THR 43 106.288 -1.982 23.210 304 H ARG 44 HN ARG 44 108.411 -4.381 27.330 305 HA ARG 44 HA ARG 44 106.968 -6.411 28.808 306 HB2 ARG 44 HB2 ARG 44 109.335 -5.615 29.300 307 HB3 ARG 44 HB1 ARG 44 108.618 -4.168 29.999 308 HG2 ARG 44 HG2 ARG 44 107.234 -5.680 31.482 309 HG3 ARG 44 HG1 ARG 44 108.210 -7.028 30.897 310 HD2 ARG 44 HD2 ARG 44 109.258 -4.562 32.319 311 HD3 ARG 44 HD1 ARG 44 109.125 -6.179 33.011 312 HE ARG 44 HE ARG 44 110.684 -6.560 30.757 313 HH11 ARG 44 HH21 ARG 44 110.732 -4.475 33.502 314 HH12 ARG 44 HH22 ARG 44 112.459 -4.349 33.543 315 HH21 ARG 44 HH11 ARG 44 112.939 -6.406 30.794 316 HH22 ARG 44 HH12 ARG 44 113.708 -5.441 32.009 317 H GLU 45 HN GLU 45 107.211 -3.084 30.081 318 HA GLU 45 HA GLU 45 104.422 -2.476 29.703 319 HB2 GLU 45 HB2 GLU 45 104.357 -4.380 31.411 320 HB3 GLU 45 HB1 GLU 45 105.130 -3.262 32.534 321 HG2 GLU 45 HG2 GLU 45 103.254 -1.628 32.011 322 HG3 GLU 45 HG1 GLU 45 102.442 -2.958 31.186 323 H ALA 46 HN ALA 46 106.231 -0.665 29.163 324 HA ALA 46 HA ALA 46 107.168 0.859 31.452 325 HB1 ALA 46 HB1 ALA 46 107.222 2.694 29.433 326 HB2 ALA 46 HB2 ALA 46 107.162 1.205 28.493 327 HB3 ALA 46 HB3 ALA 46 108.471 1.469 29.644 328 H GLY 47 HN GLY 47 104.544 1.387 29.083 329 HA2 GLY 47 HA2 GLY 47 102.467 2.067 30.701 330 HA3 GLY 47 HA1 GLY 47 103.437 3.541 30.743 331 H ALA 48 HN ALA 48 100.926 3.742 29.670 332 HA ALA 48 HA ALA 48 100.584 3.209 26.922 333 HB1 ALA 48 HB1 ALA 48 99.679 5.705 28.391 334 HB2 ALA 48 HB2 ALA 48 98.833 4.159 28.436 335 HB3 ALA 48 HB3 ALA 48 98.975 5.042 26.917 336 H GLY 49 HN GLY 49 101.200 4.311 25.038 337 HA2 GLY 49 HA2 GLY 49 102.625 6.850 25.152 338 HA3 GLY 49 HA1 GLY 49 103.693 5.486 24.818 339 H GLY 50 HN GLY 50 103.930 6.801 22.728 340 HA2 GLY 50 HA2 GLY 50 101.941 5.775 20.739 341 HA3 GLY 50 HA1 GLY 50 102.402 7.479 20.712 342 H LEU 51 HN LEU 51 103.091 4.529 19.366 343 HA LEU 51 HA LEU 51 105.994 4.968 19.038 344 HB2 LEU 51 HB2 LEU 51 104.879 2.668 19.267 345 HB3 LEU 51 HB1 LEU 51 104.264 2.921 17.635 346 HG LEU 51 HG LEU 51 106.785 3.443 17.052 347 HD11 LEU 51 HD11 LEU 51 107.012 1.829 19.614 348 HD12 LEU 51 HD12 LEU 51 107.694 3.424 19.304 349 HD13 LEU 51 HD13 LEU 51 108.320 2.018 18.449 350 HD21 LEU 51 HD21 LEU 51 105.579 1.541 16.124 351 HD22 LEU 51 HD22 LEU 51 105.741 0.654 17.640 352 HD23 LEU 51 HD23 LEU 51 107.168 0.996 16.662 353 H SER 52 HN SER 52 106.270 6.797 17.770 354 HA SER 52 HA SER 52 104.656 7.229 15.367 355 HB2 SER 52 HB2 SER 52 107.120 8.733 16.251 356 HB3 SER 52 HB1 SER 52 105.868 9.288 15.143 357 HG SER 52 HG SER 52 105.927 9.250 17.885 358 H ILE 53 HN ILE 53 105.392 6.867 13.211 359 HA ILE 53 HA ILE 53 108.161 5.738 12.956 360 HB ILE 53 HB ILE 53 105.664 4.730 11.556 361 HG12 ILE 53 HG12 ILE 53 107.353 3.340 13.655 362 HG13 ILE 53 HG11 ILE 53 105.860 4.199 14.032 363 HG21 ILE 53 HG21 ILE 53 107.603 4.442 10.154 364 HG22 ILE 53 HG22 ILE 53 107.255 2.877 10.889 365 HG23 ILE 53 HG23 ILE 53 108.570 3.872 11.515 366 HD11 ILE 53 HD11 ILE 53 104.687 2.745 12.338 367 HD12 ILE 53 HD12 ILE 53 105.305 1.866 13.736 368 HD13 ILE 53 HD13 ILE 53 106.173 1.805 12.202 369 H ALA 54 HN ALA 54 109.224 7.226 11.740 370 HA ALA 54 HA ALA 54 107.766 8.669 9.575 371 HB1 ALA 54 HB1 ALA 54 109.453 10.321 9.699 372 HB2 ALA 54 HB2 ALA 54 110.588 9.233 10.499 373 HB3 ALA 54 HB3 ALA 54 109.195 9.859 11.381 374 H VAL 55 HN VAL 55 107.836 7.458 7.736 375 HA VAL 55 HA VAL 55 110.371 6.051 7.015 376 HB VAL 55 HB VAL 55 108.641 5.171 5.151 377 HG11 VAL 55 HG11 VAL 55 109.795 3.717 6.742 378 HG12 VAL 55 HG12 VAL 55 108.085 3.289 6.689 379 HG13 VAL 55 HG13 VAL 55 108.716 4.235 8.037 380 HG21 VAL 55 HG21 VAL 55 106.886 6.766 6.145 381 HG22 VAL 55 HG22 VAL 55 106.816 5.658 7.514 382 HG23 VAL 55 HG23 VAL 55 106.384 5.095 5.899 383 H GLU 56 HN GLU 56 111.542 6.714 5.250 384 HA GLU 56 HA GLU 56 110.285 8.641 3.343 385 HB2 GLU 56 HB2 GLU 56 111.424 10.172 4.731 386 HB3 GLU 56 HB1 GLU 56 112.771 9.080 5.002 387 HG2 GLU 56 HG2 GLU 56 113.596 9.422 2.753 388 HG3 GLU 56 HG1 GLU 56 112.129 10.269 2.296 389 H GLY 57 HN GLY 57 110.986 8.313 1.237 390 HA2 GLY 57 HA2 GLY 57 113.360 7.152 0.342 391 HA3 GLY 57 HA1 GLY 57 112.280 5.796 0.667 392 HA PRO 58 HA PRO 58 111.555 7.458 -3.643 393 HB2 PRO 58 HB2 PRO 58 111.527 4.683 -4.544 394 HB3 PRO 58 HB1 PRO 58 112.647 5.986 -4.968 395 HG2 PRO 58 HG2 PRO 58 113.211 3.725 -3.307 396 HG3 PRO 58 HG1 PRO 58 114.269 5.114 -3.599 397 HD2 PRO 58 HD2 PRO 58 112.723 4.478 -1.190 398 HD3 PRO 58 HD1 PRO 58 113.959 5.733 -1.412 399 H SER 59 HN SER 59 110.109 4.815 -1.782 400 HA SER 59 HA SER 59 107.437 5.635 -2.876 401 HB2 SER 59 HB2 SER 59 108.188 3.593 -4.060 402 HB3 SER 59 HB1 SER 59 108.372 2.777 -2.508 403 HG SER 59 HG SER 59 106.228 2.859 -3.933 404 H LYS 60 HN LYS 60 105.657 5.103 -1.471 405 HA LYS 60 HA LYS 60 106.371 5.335 1.357 406 HB2 LYS 60 HB2 LYS 60 103.579 4.896 0.281 407 HB3 LYS 60 HB1 LYS 60 104.072 5.757 1.739 408 HG2 LYS 60 HG2 LYS 60 105.124 7.510 0.349 409 HG3 LYS 60 HG1 LYS 60 104.636 6.647 -1.107 410 HD2 LYS 60 HD2 LYS 60 102.919 8.226 -0.878 411 HD3 LYS 60 HD1 LYS 60 102.221 6.802 -0.111 412 HE2 LYS 60 HE2 LYS 60 102.764 7.647 2.095 413 HE3 LYS 60 HE1 LYS 60 103.681 8.986 1.407 414 HZ1 LYS 60 HZ1 LYS 60 100.940 8.733 0.496 415 HZ2 LYS 60 HZ2 LYS 60 101.828 10.122 0.908 416 HZ3 LYS 60 HZ3 LYS 60 101.129 9.164 2.125 417 H ALA 61 HN ALA 61 106.671 3.593 2.663 418 HA ALA 61 HA ALA 61 105.955 0.911 1.679 419 HB1 ALA 61 HB1 ALA 61 107.393 1.882 4.160 420 HB2 ALA 61 HB2 ALA 61 108.105 1.100 2.747 421 HB3 ALA 61 HB3 ALA 61 107.065 0.181 3.835 422 H GLU 62 HN GLU 62 104.384 -0.449 2.651 423 HA GLU 62 HA GLU 62 102.404 0.998 4.341 424 HB2 GLU 62 HB2 GLU 62 102.177 -1.624 2.850 425 HB3 GLU 62 HB1 GLU 62 100.907 -0.932 3.846 426 HG2 GLU 62 HG2 GLU 62 100.530 -0.341 1.502 427 HG3 GLU 62 HG1 GLU 62 100.923 1.106 2.431 428 H ILE 63 HN ILE 63 103.092 0.899 6.408 429 HA ILE 63 HA ILE 63 104.361 -1.307 7.709 430 HB ILE 63 HB ILE 63 102.905 1.181 8.585 431 HG12 ILE 63 HG12 ILE 63 105.115 1.646 9.630 432 HG13 ILE 63 HG11 ILE 63 105.700 0.090 9.041 433 HG21 ILE 63 HG21 ILE 63 103.615 0.486 10.983 434 HG22 ILE 63 HG22 ILE 63 103.638 -1.154 10.341 435 HG23 ILE 63 HG23 ILE 63 102.145 -0.224 10.319 436 HD11 ILE 63 HD11 ILE 63 104.530 2.172 7.189 437 HD12 ILE 63 HD12 ILE 63 105.497 0.760 6.764 438 HD13 ILE 63 HD13 ILE 63 106.248 2.127 7.587 439 H ALA 64 HN ALA 64 103.369 -2.811 9.286 440 HA ALA 64 HA ALA 64 100.413 -3.117 9.046 441 HB1 ALA 64 HB1 ALA 64 102.141 -5.567 8.830 442 HB2 ALA 64 HB2 ALA 64 101.828 -4.602 7.389 443 HB3 ALA 64 HB3 ALA 64 100.485 -5.320 8.278 444 H PHE 65 HN PHE 65 99.746 -4.994 10.639 445 HA PHE 65 HA PHE 65 101.533 -5.146 13.005 446 HB2 PHE 65 HB2 PHE 65 99.649 -4.437 14.499 447 HB3 PHE 65 HB1 PHE 65 100.229 -3.138 13.455 448 HD1 PHE 65 HD1 PHE 65 98.947 -2.510 11.405 449 HD2 PHE 65 HD2 PHE 65 97.433 -5.334 14.266 450 HE1 PHE 65 HE1 PHE 65 96.672 -2.259 10.449 451 HE2 PHE 65 HE2 PHE 65 95.159 -5.082 13.311 452 HZ PHE 65 HZ PHE 65 94.778 -3.545 11.402 453 H GLU 66 HN GLU 66 101.577 -7.292 13.437 454 HA GLU 66 HA GLU 66 99.002 -8.798 13.503 455 HB2 GLU 66 HB2 GLU 66 100.085 -9.206 11.287 456 HB3 GLU 66 HB1 GLU 66 101.511 -9.812 12.131 457 HG2 GLU 66 HG2 GLU 66 100.184 -11.581 13.173 458 HG3 GLU 66 HG1 GLU 66 98.716 -10.951 12.424 459 H ASP 67 HN ASP 67 98.876 -9.929 15.374 460 HA ASP 67 HA ASP 67 101.205 -10.058 17.150 461 HB2 ASP 67 HB2 ASP 67 99.605 -11.128 18.728 462 HB3 ASP 67 HB1 ASP 67 98.988 -9.602 18.094 463 H ARG 68 HN ARG 68 102.650 -11.703 17.041 464 HA ARG 68 HA ARG 68 101.838 -14.264 15.738 465 HB2 ARG 68 HB2 ARG 68 103.878 -13.070 14.919 466 HB3 ARG 68 HB1 ARG 68 104.602 -13.284 16.514 467 HG2 ARG 68 HG2 ARG 68 104.433 -15.716 16.299 468 HG3 ARG 68 HG1 ARG 68 103.634 -15.543 14.738 469 HD2 ARG 68 HD2 ARG 68 105.958 -14.050 14.389 470 HD3 ARG 68 HD1 ARG 68 106.514 -15.388 15.389 471 HE ARG 68 HE ARG 68 106.064 -15.561 12.629 472 HH11 ARG 68 HH21 ARG 68 104.901 -17.145 15.473 473 HH12 ARG 68 HH22 ARG 68 104.461 -18.591 14.636 474 HH21 ARG 68 HH11 ARG 68 105.504 -17.441 11.541 475 HH22 ARG 68 HH12 ARG 68 104.807 -18.763 12.416 476 H LYS 69 HN LYS 69 102.728 -12.900 18.814 477 HA LYS 69 HA LYS 69 102.647 -15.644 20.041 478 HB2 LYS 69 HB2 LYS 69 104.223 -13.239 21.014 479 HB3 LYS 69 HB1 LYS 69 104.221 -14.848 21.732 480 HG2 LYS 69 HG2 LYS 69 104.993 -14.526 18.833 481 HG3 LYS 69 HG1 LYS 69 106.168 -14.155 20.091 482 HD2 LYS 69 HD2 LYS 69 106.022 -16.388 20.994 483 HD3 LYS 69 HD1 LYS 69 104.664 -16.782 19.941 484 HE2 LYS 69 HE2 LYS 69 106.895 -17.667 19.144 485 HE3 LYS 69 HE1 LYS 69 106.049 -16.653 17.975 486 HZ1 LYS 69 HZ1 LYS 69 107.578 -15.038 18.136 487 HZ2 LYS 69 HZ2 LYS 69 108.586 -16.281 18.708 488 HZ3 LYS 69 HZ3 LYS 69 107.801 -15.247 19.805 489 H ASP 70 HN ASP 70 100.849 -12.992 19.626 490 HA ASP 70 HA ASP 70 98.982 -12.184 20.809 491 HB2 ASP 70 HB2 ASP 70 99.141 -14.731 21.680 492 HB3 ASP 70 HB1 ASP 70 99.551 -13.928 23.191 493 H GLY 71 HN GLY 71 102.164 -12.268 21.958 494 HA2 GLY 71 HA2 GLY 71 101.622 -10.006 23.848 495 HA3 GLY 71 HA1 GLY 71 102.808 -11.262 24.195 496 H SER 72 HN SER 72 103.601 -11.378 21.308 497 HA SER 72 HA SER 72 105.444 -9.040 21.365 498 HB2 SER 72 HB2 SER 72 106.494 -11.217 21.032 499 HB3 SER 72 HB1 SER 72 105.413 -11.569 19.686 500 HG SER 72 HG SER 72 107.179 -10.775 18.715 501 H CYS 73 HN CYS 73 105.256 -7.390 19.882 502 HA CYS 73 HA CYS 73 102.934 -7.512 18.023 503 HB2 CYS 73 HB2 CYS 73 103.305 -5.526 19.526 504 HB3 CYS 73 HB1 CYS 73 104.765 -5.170 18.608 505 HG CYS 73 HG CYS 73 102.122 -4.260 17.757 506 H GLY 74 HN GLY 74 103.211 -7.918 15.894 507 HA2 GLY 74 HA2 GLY 74 105.983 -7.894 14.777 508 HA3 GLY 74 HA1 GLY 74 104.621 -8.798 14.116 509 H VAL 75 HN VAL 75 106.513 -6.180 13.549 510 HA VAL 75 HA VAL 75 104.346 -4.570 12.236 511 HB VAL 75 HB VAL 75 107.196 -3.934 13.052 512 HG11 VAL 75 HG11 VAL 75 106.995 -2.832 10.966 513 HG12 VAL 75 HG12 VAL 75 106.556 -1.598 12.147 514 HG13 VAL 75 HG13 VAL 75 105.303 -2.443 11.243 515 HG21 VAL 75 HG21 VAL 75 105.632 -3.720 14.869 516 HG22 VAL 75 HG22 VAL 75 104.458 -2.897 13.841 517 HG23 VAL 75 HG23 VAL 75 105.957 -2.087 14.287 518 H SER 76 HN SER 76 104.072 -4.974 10.125 519 HA SER 76 HA SER 76 106.404 -5.976 8.523 520 HB2 SER 76 HB2 SER 76 105.002 -7.518 7.581 521 HB3 SER 76 HB1 SER 76 103.882 -7.124 8.877 522 HG SER 76 HG SER 76 102.922 -6.890 6.823 523 H TYR 77 HN TYR 77 107.161 -4.581 7.042 524 HA TYR 77 HA TYR 77 105.336 -2.450 5.966 525 HB2 TYR 77 HB2 TYR 77 107.266 -0.957 5.867 526 HB3 TYR 77 HB1 TYR 77 107.074 -1.545 7.517 527 HD1 TYR 77 HD2 TYR 77 108.580 -3.301 8.414 528 HD2 TYR 77 HD1 TYR 77 109.158 -1.597 4.515 529 HE1 TYR 77 HE2 TYR 77 110.883 -4.217 8.354 530 HE2 TYR 77 HE1 TYR 77 111.462 -2.512 4.455 531 HH TYR 77 HH TYR 77 112.609 -4.683 5.767 532 H VAL 78 HN VAL 78 105.194 -2.433 3.742 533 HA VAL 78 HA VAL 78 107.072 -4.264 2.259 534 HB VAL 78 HB VAL 78 104.571 -4.695 2.169 535 HG11 VAL 78 HG11 VAL 78 103.111 -3.206 1.122 536 HG12 VAL 78 HG12 VAL 78 104.399 -2.404 0.223 537 HG13 VAL 78 HG13 VAL 78 104.194 -2.086 1.942 538 HG21 VAL 78 HG21 VAL 78 105.877 -4.011 -0.484 539 HG22 VAL 78 HG22 VAL 78 104.609 -5.206 -0.208 540 HG23 VAL 78 HG23 VAL 78 106.226 -5.471 0.441 541 H VAL 79 HN VAL 79 108.661 -3.226 1.197 542 HA VAL 79 HA VAL 79 108.339 -0.370 0.501 543 HB VAL 79 HB VAL 79 110.800 -0.811 -0.345 544 HG11 VAL 79 HG11 VAL 79 110.710 0.524 1.563 545 HG12 VAL 79 HG12 VAL 79 111.466 -0.908 2.258 546 HG13 VAL 79 HG13 VAL 79 109.741 -0.636 2.468 547 HG21 VAL 79 HG21 VAL 79 110.328 -3.358 -0.150 548 HG22 VAL 79 HG22 VAL 79 110.538 -3.127 1.586 549 HG23 VAL 79 HG23 VAL 79 111.861 -2.763 0.483 550 H GLN 80 HN GLN 80 108.926 0.332 -1.759 551 HA GLN 80 HA GLN 80 107.747 -1.568 -3.718 552 HB2 GLN 80 HB2 GLN 80 107.007 0.910 -3.386 553 HB3 GLN 80 HB1 GLN 80 108.460 1.301 -4.303 554 HG2 GLN 80 HG2 GLN 80 106.721 1.132 -5.923 555 HG3 GLN 80 HG1 GLN 80 107.634 -0.373 -6.054 556 HE21 GLN 80 HE21 GLN 80 106.038 -0.600 -3.149 557 HE22 GLN 80 HE22 GLN 80 104.630 -1.398 -3.661 558 H GLU 81 HN GLU 81 110.606 0.646 -3.527 559 HA GLU 81 HA GLU 81 112.062 -1.322 -5.195 560 HB2 GLU 81 HB2 GLU 81 111.672 1.590 -5.884 561 HB3 GLU 81 HB1 GLU 81 112.911 0.594 -6.637 562 HG2 GLU 81 HG2 GLU 81 109.936 -0.003 -6.686 563 HG3 GLU 81 HG1 GLU 81 110.847 0.716 -8.008 564 HA PRO 82 HA PRO 82 115.700 -0.797 -2.740 565 HB2 PRO 82 HB2 PRO 82 116.989 0.045 -5.305 566 HB3 PRO 82 HB1 PRO 82 117.561 -1.109 -4.086 567 HG2 PRO 82 HG2 PRO 82 116.375 -1.933 -6.404 568 HG3 PRO 82 HG1 PRO 82 116.235 -2.810 -4.887 569 HD2 PRO 82 HD2 PRO 82 114.131 -1.328 -6.292 570 HD3 PRO 82 HD1 PRO 82 113.992 -2.498 -4.975 571 H GLY 83 HN GLY 83 117.309 0.786 -2.129 572 HA2 GLY 83 HA2 GLY 83 117.905 3.300 -2.724 573 HA3 GLY 83 HA1 GLY 83 116.212 3.555 -2.290 574 H ASP 84 HN ASP 84 117.679 4.945 -0.700 575 HA ASP 84 HA ASP 84 118.474 3.358 1.684 576 HB2 ASP 84 HB2 ASP 84 118.880 6.240 0.852 577 HB3 ASP 84 HB1 ASP 84 119.214 5.685 2.491 578 H TYR 85 HN TYR 85 116.289 2.803 2.272 579 HA TYR 85 HA TYR 85 114.273 4.823 2.662 580 HB2 TYR 85 HB2 TYR 85 114.598 1.920 3.117 581 HB3 TYR 85 HB1 TYR 85 113.504 2.697 4.265 582 HD1 TYR 85 HD2 TYR 85 111.445 3.788 3.483 583 HD2 TYR 85 HD1 TYR 85 114.088 1.782 0.759 584 HE1 TYR 85 HE2 TYR 85 109.675 3.811 1.751 585 HE2 TYR 85 HE1 TYR 85 112.322 1.804 -0.976 586 HH TYR 85 HH TYR 85 109.236 3.469 -0.435 587 H GLU 86 HN GLU 86 113.949 6.087 4.392 588 HA GLU 86 HA GLU 86 115.830 5.812 6.700 589 HB2 GLU 86 HB2 GLU 86 114.295 8.329 6.614 590 HB3 GLU 86 HB1 GLU 86 116.038 8.093 6.675 591 HG2 GLU 86 HG2 GLU 86 114.420 7.775 4.134 592 HG3 GLU 86 HG1 GLU 86 115.178 9.287 4.605 593 H VAL 87 HN VAL 87 114.907 4.857 8.429 594 HA VAL 87 HA VAL 87 111.968 5.259 8.912 595 HB VAL 87 HB VAL 87 112.766 2.936 8.362 596 HG11 VAL 87 HG11 VAL 87 114.948 3.259 9.658 597 HG12 VAL 87 HG12 VAL 87 114.117 1.724 9.911 598 HG13 VAL 87 HG13 VAL 87 113.998 3.001 11.122 599 HG21 VAL 87 HG21 VAL 87 111.533 3.522 11.066 600 HG22 VAL 87 HG22 VAL 87 111.597 1.903 10.370 601 HG23 VAL 87 HG23 VAL 87 110.691 3.177 9.555 602 H SER 88 HN SER 88 111.312 5.874 10.963 603 HA SER 88 HA SER 88 113.386 6.165 13.083 604 HB2 SER 88 HB2 SER 88 111.425 8.388 12.522 605 HB3 SER 88 HB1 SER 88 112.896 8.442 13.490 606 HG SER 88 HG SER 88 112.548 8.501 10.716 607 H ILE 89 HN ILE 89 112.481 4.587 14.340 608 HA ILE 89 HA ILE 89 109.609 4.862 15.112 609 HB ILE 89 HB ILE 89 109.619 2.573 15.568 610 HG12 ILE 89 HG12 ILE 89 112.604 2.889 15.955 611 HG13 ILE 89 HG11 ILE 89 111.407 2.342 17.121 612 HG21 ILE 89 HG21 ILE 89 110.475 1.527 13.612 613 HG22 ILE 89 HG22 ILE 89 111.800 2.684 13.484 614 HG23 ILE 89 HG23 ILE 89 110.148 3.193 13.135 615 HD11 ILE 89 HD11 ILE 89 110.997 0.363 15.526 616 HD12 ILE 89 HD12 ILE 89 112.507 0.358 16.438 617 HD13 ILE 89 HD13 ILE 89 112.503 0.843 14.742 618 H LYS 90 HN LYS 90 109.109 5.498 17.173 619 HA LYS 90 HA LYS 90 111.138 5.314 19.312 620 HB2 LYS 90 HB2 LYS 90 110.796 7.672 19.889 621 HB3 LYS 90 HB1 LYS 90 111.485 7.527 18.291 622 HG2 LYS 90 HG2 LYS 90 108.780 7.457 17.717 623 HG3 LYS 90 HG1 LYS 90 108.794 8.505 19.123 624 HD2 LYS 90 HD2 LYS 90 109.101 10.066 17.420 625 HD3 LYS 90 HD1 LYS 90 110.774 9.719 17.850 626 HE2 LYS 90 HE2 LYS 90 109.320 8.211 15.661 627 HE3 LYS 90 HE1 LYS 90 110.225 9.691 15.351 628 HZ1 LYS 90 HZ1 LYS 90 112.041 8.379 16.710 629 HZ2 LYS 90 HZ2 LYS 90 111.862 8.180 15.032 630 HZ3 LYS 90 HZ3 LYS 90 111.195 7.041 16.102 631 H PHE 91 HN PHE 91 110.110 4.779 21.289 632 HA PHE 91 HA PHE 91 107.158 4.654 21.230 633 HB2 PHE 91 HB2 PHE 91 108.625 2.882 22.324 634 HB3 PHE 91 HB1 PHE 91 108.966 4.066 23.588 635 HD1 PHE 91 HD1 PHE 91 106.051 2.634 21.711 636 HD2 PHE 91 HD2 PHE 91 107.533 4.138 25.450 637 HE1 PHE 91 HE1 PHE 91 103.885 2.104 22.785 638 HE2 PHE 91 HE2 PHE 91 105.367 3.596 26.529 639 HZ PHE 91 HZ PHE 91 103.541 2.579 25.195 640 H ASN 92 HN ASN 92 106.468 6.814 21.242 641 HA ASN 92 HA ASN 92 105.842 8.826 22.251 642 HB2 ASN 92 HB2 ASN 92 105.673 7.155 24.299 643 HB3 ASN 92 HB1 ASN 92 107.126 7.985 24.850 644 HD21 ASN 92 HD21 ASN 92 106.248 9.268 26.536 645 HD22 ASN 92 HD22 ASN 92 105.027 10.423 26.298 646 H ASP 93 HN ASP 93 108.280 8.537 20.869 647 HA ASP 93 HA ASP 93 109.996 10.055 20.322 648 HB2 ASP 93 HB2 ASP 93 110.013 11.220 23.094 649 HB3 ASP 93 HB1 ASP 93 110.487 11.946 21.563 650 H GLU 94 HN GLU 94 110.101 7.450 22.147 651 HA GLU 94 HA GLU 94 112.856 7.838 23.194 652 HB2 GLU 94 HB2 GLU 94 112.084 6.380 24.763 653 HB3 GLU 94 HB1 GLU 94 110.607 6.148 23.859 654 HG2 GLU 94 HG2 GLU 94 111.815 4.038 24.314 655 HG3 GLU 94 HG1 GLU 94 111.599 4.307 22.610 656 H HIS 95 HN HIS 95 113.993 8.098 21.213 657 HA HIS 95 HA HIS 95 113.639 6.251 19.011 658 HB2 HIS 95 HB2 HIS 95 115.849 7.273 18.232 659 HB3 HIS 95 HB1 HIS 95 114.522 8.409 18.479 660 HD1 HIS 95 HD1 HIS 95 117.846 7.393 19.852 661 HD2 HIS 95 HD2 HIS 95 114.805 10.084 20.794 662 HE1 HIS 95 HE1 HIS 95 118.794 8.962 21.599 663 H ILE 96 HN ILE 96 113.988 4.101 19.653 664 HA ILE 96 HA ILE 96 115.925 3.111 21.428 665 HB ILE 96 HB ILE 96 115.919 1.154 19.418 666 HG12 ILE 96 HG12 ILE 96 114.374 2.791 18.163 667 HG13 ILE 96 HG11 ILE 96 113.821 1.129 18.324 668 HG21 ILE 96 HG21 ILE 96 114.033 0.114 20.704 669 HG22 ILE 96 HG22 ILE 96 113.903 1.596 21.642 670 HG23 ILE 96 HG23 ILE 96 115.368 0.634 21.723 671 HD11 ILE 96 HD11 ILE 96 112.043 1.720 19.622 672 HD12 ILE 96 HD12 ILE 96 112.319 3.332 18.977 673 HD13 ILE 96 HD13 ILE 96 112.972 2.901 20.547 674 HA PRO 97 HA PRO 97 119.856 3.921 19.570 675 HB2 PRO 97 HB2 PRO 97 121.038 1.302 19.809 676 HB3 PRO 97 HB1 PRO 97 121.224 2.669 20.911 677 HG2 PRO 97 HG2 PRO 97 119.668 0.234 21.313 678 HG3 PRO 97 HG1 PRO 97 119.996 1.531 22.471 679 HD2 PRO 97 HD2 PRO 97 117.514 0.996 21.137 680 HD3 PRO 97 HD1 PRO 97 117.886 2.367 22.201 681 H ASP 98 HN ASP 98 118.280 3.855 17.597 682 HA ASP 98 HA ASP 98 119.615 2.472 15.414 683 HB2 ASP 98 HB2 ASP 98 116.885 1.594 16.366 684 HB3 ASP 98 HB1 ASP 98 117.384 1.389 14.686 685 H SER 99 HN SER 99 116.442 3.864 16.254 686 HA SER 99 HA SER 99 116.197 5.183 13.740 687 HB2 SER 99 HB2 SER 99 114.444 6.571 15.103 688 HB3 SER 99 HB1 SER 99 114.165 4.849 14.856 689 HG SER 99 HG SER 99 115.465 4.705 16.931 690 HA PRO 100 HA PRO 100 115.886 6.838 12.501 691 HB2 PRO 100 HB2 PRO 100 117.105 8.835 11.032 692 HB3 PRO 100 HB1 PRO 100 115.684 9.095 12.056 693 HG2 PRO 100 HG2 PRO 100 118.459 10.007 12.495 694 HG3 PRO 100 HG1 PRO 100 116.970 10.557 13.280 695 HD2 PRO 100 HD2 PRO 100 118.964 8.723 14.338 696 HD3 PRO 100 HD1 PRO 100 117.491 9.311 15.137 697 H PHE 101 HN PHE 101 116.823 5.012 11.342 698 HA PHE 101 HA PHE 101 119.661 5.376 10.388 699 HB2 PHE 101 HB2 PHE 101 120.125 3.034 10.649 700 HB3 PHE 101 HB1 PHE 101 119.551 3.647 12.188 701 HD1 PHE 101 HD1 PHE 101 117.079 3.302 12.767 702 HD2 PHE 101 HD2 PHE 101 119.042 1.223 9.586 703 HE1 PHE 101 HE1 PHE 101 115.329 1.576 12.841 704 HE2 PHE 101 HE2 PHE 101 117.268 -0.512 9.626 705 HZ PHE 101 HZ PHE 101 115.406 -0.337 11.258 706 H VAL 102 HN VAL 102 120.146 3.995 8.452 707 HA VAL 102 HA VAL 102 117.971 4.371 6.506 708 HB VAL 102 HB VAL 102 120.209 5.127 5.902 709 HG11 VAL 102 HG11 VAL 102 122.052 3.505 5.645 710 HG12 VAL 102 HG12 VAL 102 121.011 2.222 6.261 711 HG13 VAL 102 HG13 VAL 102 121.485 3.556 7.313 712 HG21 VAL 102 HG21 VAL 102 119.618 2.606 4.331 713 HG22 VAL 102 HG22 VAL 102 120.372 4.087 3.745 714 HG23 VAL 102 HG23 VAL 102 118.661 4.079 4.172 715 H VAL 103 HN VAL 103 117.074 2.732 5.259 716 HA VAL 103 HA VAL 103 117.592 -0.085 6.161 717 HB VAL 103 HB VAL 103 115.023 1.258 5.289 718 HG11 VAL 103 HG11 VAL 103 115.740 -1.653 5.682 719 HG12 VAL 103 HG12 VAL 103 114.911 -0.908 4.316 720 HG13 VAL 103 HG13 VAL 103 114.081 -1.082 5.860 721 HG21 VAL 103 HG21 VAL 103 115.828 1.558 7.663 722 HG22 VAL 103 HG22 VAL 103 115.736 -0.193 7.852 723 HG23 VAL 103 HG23 VAL 103 114.273 0.737 7.528 724 HA PRO 104 HA PRO 104 118.764 0.435 1.711 725 HB2 PRO 104 HB2 PRO 104 120.471 -1.904 1.997 726 HB3 PRO 104 HB1 PRO 104 120.948 -0.223 1.724 727 HG2 PRO 104 HG2 PRO 104 121.259 -1.712 4.147 728 HG3 PRO 104 HG1 PRO 104 121.571 0.015 3.916 729 HD2 PRO 104 HD2 PRO 104 119.343 -1.258 5.321 730 HD3 PRO 104 HD1 PRO 104 119.774 0.464 5.270 731 H VAL 105 HN VAL 105 117.137 -0.290 0.445 732 HA VAL 105 HA VAL 105 116.213 -3.122 0.670 733 HB VAL 105 HB VAL 105 115.072 -0.640 -0.649 734 HG11 VAL 105 HG11 VAL 105 114.589 -2.708 -2.008 735 HG12 VAL 105 HG12 VAL 105 113.148 -1.977 -1.311 736 HG13 VAL 105 HG13 VAL 105 113.850 -3.412 -0.573 737 HG21 VAL 105 HG21 VAL 105 113.402 -0.742 1.023 738 HG22 VAL 105 HG22 VAL 105 114.935 -0.969 1.861 739 HG23 VAL 105 HG23 VAL 105 113.900 -2.354 1.527 740 H ALA 106 HN ALA 106 116.518 -4.511 -1.185 741 HA ALA 106 HA ALA 106 118.049 -3.343 -3.502 742 HB1 ALA 106 HB1 ALA 106 119.801 -4.796 -3.233 743 HB2 ALA 106 HB2 ALA 106 118.819 -6.016 -2.415 744 HB3 ALA 106 HB3 ALA 106 119.340 -4.574 -1.549 745 H SER 107 HN SER 107 117.437 -4.097 -5.468 746 HA SER 107 HA SER 107 115.254 -6.067 -5.649 747 HB2 SER 107 HB2 SER 107 115.393 -3.917 -7.054 748 HB3 SER 107 HB1 SER 107 116.690 -4.702 -7.945 749 HG SER 107 HG SER 107 114.248 -6.031 -7.514 750 H LEU 108 HN LEU 108 116.796 -7.709 -4.773 751 HA LEU 108 HA LEU 108 118.037 -9.649 -5.139 752 HB2 LEU 108 HB2 LEU 108 116.665 -9.216 -7.529 753 HB3 LEU 108 HB1 LEU 108 118.335 -9.311 -8.070 754 HG LEU 108 HG LEU 108 117.294 -11.508 -8.120 755 HD11 LEU 108 HD11 LEU 108 119.039 -12.707 -7.118 756 HD12 LEU 108 HD12 LEU 108 119.142 -11.602 -5.749 757 HD13 LEU 108 HD13 LEU 108 119.743 -11.105 -7.331 758 HD21 LEU 108 HD21 LEU 108 116.072 -12.455 -6.428 759 HD22 LEU 108 HD22 LEU 108 115.812 -10.774 -5.974 760 HD23 LEU 108 HD23 LEU 108 117.048 -11.729 -5.154 761 H SER 109 HN SER 109 118.905 -6.562 -5.694 762 HA SER 109 HA SER 109 121.643 -6.982 -6.656 763 HB2 SER 109 HB2 SER 109 120.310 -4.931 -7.184 764 HB3 SER 109 HB1 SER 109 120.394 -4.502 -5.479 765 HG SER 109 HG SER 109 122.261 -4.264 -7.438 766 H ASP 110 HN ASP 110 119.942 -6.867 -3.650 767 HA ASP 110 HA ASP 110 120.710 -6.970 -1.423 768 HB2 ASP 110 HB2 ASP 110 123.100 -8.250 -2.795 769 HB3 ASP 110 HB1 ASP 110 122.730 -8.351 -1.073 770 H ASP 111 HN ASP 111 121.690 -4.862 -3.510 771 HA ASP 111 HA ASP 111 123.118 -3.201 -1.633 772 HB2 ASP 111 HB2 ASP 111 124.641 -4.647 -3.796 773 HB3 ASP 111 HB1 ASP 111 125.152 -3.031 -3.312 774 H ALA 112 HN ALA 112 121.957 -3.867 -4.920 775 HA ALA 112 HA ALA 112 121.196 -2.369 -6.576 776 HB1 ALA 112 HB1 ALA 112 119.856 -0.571 -5.796 777 HB2 ALA 112 HB2 ALA 112 120.806 -0.398 -4.320 778 HB3 ALA 112 HB3 ALA 112 119.748 -1.792 -4.528 779 H ARG 113 HN ARG 113 123.366 -2.121 -7.472 780 HA ARG 113 HA ARG 113 125.300 -0.262 -6.577 781 HB2 ARG 113 HB2 ARG 113 124.693 -1.666 -9.130 782 HB3 ARG 113 HB1 ARG 113 125.634 -0.191 -9.319 783 HG2 ARG 113 HG2 ARG 113 127.161 -2.057 -9.050 784 HG3 ARG 113 HG1 ARG 113 127.240 -1.060 -7.598 785 HD2 ARG 113 HD2 ARG 113 125.867 -2.593 -6.366 786 HD3 ARG 113 HD1 ARG 113 125.448 -3.489 -7.827 787 HE ARG 113 HE ARG 113 128.210 -3.679 -7.702 788 HH11 ARG 113 HH21 ARG 113 125.558 -4.309 -5.592 789 HH12 ARG 113 HH22 ARG 113 126.357 -5.598 -4.756 790 HH21 ARG 113 HH11 ARG 113 129.269 -5.357 -6.623 791 HH22 ARG 113 HH12 ARG 113 128.459 -6.193 -5.341 792 H ARG 114 HN ARG 114 125.792 1.598 -8.519 793 HA ARG 114 HA ARG 114 123.324 3.273 -8.747 794 HB2 ARG 114 HB2 ARG 114 124.839 3.807 -6.692 795 HB3 ARG 114 HB1 ARG 114 125.979 4.431 -7.880 796 HG2 ARG 114 HG2 ARG 114 124.768 6.366 -7.403 797 HG3 ARG 114 HG1 ARG 114 123.849 5.752 -8.774 798 HD2 ARG 114 HD2 ARG 114 122.440 4.496 -6.971 799 HD3 ARG 114 HD1 ARG 114 123.162 5.642 -5.842 800 HE ARG 114 HE ARG 114 122.202 7.245 -7.888 801 HH11 ARG 114 HH21 ARG 114 120.944 4.780 -5.833 802 HH12 ARG 114 HH22 ARG 114 119.336 5.426 -5.819 803 HH21 ARG 114 HH11 ARG 114 120.110 8.103 -7.883 804 HH22 ARG 114 HH12 ARG 114 118.864 7.306 -6.981 805 H LEU 115 HN LEU 115 125.827 1.801 -10.244 806 HA LEU 115 HA LEU 115 125.913 3.807 -12.478 807 HB2 LEU 115 HB2 LEU 115 128.203 2.011 -11.621 808 HB3 LEU 115 HB1 LEU 115 128.242 3.241 -12.881 809 HG LEU 115 HG LEU 115 127.649 3.847 -9.969 810 HD11 LEU 115 HD11 LEU 115 129.951 4.582 -9.767 811 HD12 LEU 115 HD12 LEU 115 130.256 4.226 -11.467 812 HD13 LEU 115 HD13 LEU 115 129.950 2.911 -10.332 813 HD21 LEU 115 HD21 LEU 115 128.177 5.515 -12.440 814 HD22 LEU 115 HD22 LEU 115 128.406 6.170 -10.820 815 HD23 LEU 115 HD23 LEU 115 126.814 5.613 -11.326 816 H THR 116 HN THR 116 125.736 0.488 -11.440 817 HA THR 116 HA THR 116 125.524 -0.474 -14.252 818 HB THR 116 HB THR 116 125.521 -2.747 -12.921 819 HG1 THR 116 HG1 THR 116 126.738 -0.979 -11.077 820 HG21 THR 116 HG21 THR 116 127.990 -2.770 -12.923 821 HG22 THR 116 HG22 THR 116 128.001 -1.014 -13.080 822 HG23 THR 116 HG23 THR 116 127.359 -2.012 -14.385 823 H VAL 117 HN VAL 117 124.088 -1.731 -11.291 824 HA VAL 117 HA VAL 117 121.501 -2.135 -12.467 825 HB VAL 117 HB VAL 117 122.407 -1.809 -9.591 826 HG11 VAL 117 HG11 VAL 117 119.702 -2.487 -10.762 827 HG12 VAL 117 HG12 VAL 117 120.092 -1.265 -9.552 828 HG13 VAL 117 HG13 VAL 117 120.155 -2.975 -9.129 829 HG21 VAL 117 HG21 VAL 117 123.209 -3.797 -10.963 830 HG22 VAL 117 HG22 VAL 117 121.523 -4.302 -11.071 831 HG23 VAL 117 HG23 VAL 117 122.317 -4.212 -9.499 832 H THR 118 HN THR 118 123.247 0.558 -11.615 833 HA THR 118 HA THR 118 122.746 2.766 -11.056 834 HB THR 118 HB THR 118 122.574 2.772 -13.438 835 HG1 THR 118 HG1 THR 118 121.141 4.344 -11.852 836 HG21 THR 118 HG21 THR 118 120.319 2.410 -14.532 837 HG22 THR 118 HG22 THR 118 119.753 1.756 -13.001 838 HG23 THR 118 HG23 THR 118 121.060 0.956 -13.872 839 H SER 119 HN SER 119 121.734 1.681 -9.028 840 HA SER 119 HA SER 119 120.173 2.082 -7.342 841 HB2 SER 119 HB2 SER 119 118.803 3.940 -7.519 842 HB3 SER 119 HB1 SER 119 119.885 4.273 -8.870 843 HG SER 119 HG SER 119 117.424 4.224 -9.138 844 H1 MET 1 HT1 MET 1 122.215 18.231 -6.935 845 H2 MET 1 HT2 MET 1 121.598 17.022 -7.957 846 H3 MET 1 HT3 MET 1 121.478 18.658 -8.401 847 HA MET 1 HA MET 1 123.909 18.798 -8.523 848 HB2 MET 1 HB2 MET 1 124.325 16.941 -6.913 849 HB3 MET 1 HB1 MET 1 123.733 15.797 -8.118 850 HG2 MET 1 HG2 MET 1 125.514 16.414 -9.654 851 HG3 MET 1 HG1 MET 1 126.057 17.691 -8.566 852 HE1 MET 1 HE1 MET 1 127.708 14.973 -9.826 853 HE2 MET 1 HE2 MET 1 128.868 15.001 -8.499 854 HE3 MET 1 HE3 MET 1 128.288 16.517 -9.185 855 H ALA 2 HN ALA 2 122.716 15.645 -9.698 856 HA ALA 2 HA ALA 2 123.516 16.058 -12.381 857 HB1 ALA 2 HB1 ALA 2 122.077 14.185 -12.941 858 HB2 ALA 2 HB2 ALA 2 121.148 14.404 -11.458 859 HB3 ALA 2 HB3 ALA 2 122.824 13.858 -11.378 860 H SER 3 HN SER 3 120.487 16.876 -10.733 861 HA SER 3 HA SER 3 119.893 18.870 -12.786 862 HB2 SER 3 HB2 SER 3 118.007 16.524 -12.414 863 HB3 SER 3 HB1 SER 3 117.727 17.925 -13.444 864 HG SER 3 HG SER 3 119.863 17.242 -14.397 865 H LYS 4 HN LYS 4 120.302 18.645 -9.839 866 HA LYS 4 HA LYS 4 119.359 19.533 -7.883 867 HB2 LYS 4 HB2 LYS 4 119.037 21.413 -9.662 868 HB3 LYS 4 HB1 LYS 4 117.342 20.932 -9.642 869 HG2 LYS 4 HG2 LYS 4 117.267 21.298 -7.198 870 HG3 LYS 4 HG1 LYS 4 118.964 21.780 -7.222 871 HD2 LYS 4 HD2 LYS 4 118.224 23.541 -8.986 872 HD3 LYS 4 HD1 LYS 4 116.588 23.211 -8.413 873 HE2 LYS 4 HE2 LYS 4 117.328 25.038 -7.092 874 HE3 LYS 4 HE1 LYS 4 117.515 23.629 -6.048 875 HZ1 LYS 4 HZ1 LYS 4 119.467 25.428 -6.721 876 HZ2 LYS 4 HZ2 LYS 4 119.819 24.063 -7.668 877 HZ3 LYS 4 HZ3 LYS 4 119.700 23.920 -5.979 878 HA PRO 5 HA PRO 5 115.907 16.393 -8.402 879 HB2 PRO 5 HB2 PRO 5 116.954 15.007 -6.079 880 HB3 PRO 5 HB1 PRO 5 116.895 14.434 -7.752 881 HG2 PRO 5 HG2 PRO 5 119.228 15.273 -6.275 882 HG3 PRO 5 HG1 PRO 5 119.155 14.741 -7.961 883 HD2 PRO 5 HD2 PRO 5 119.545 17.439 -6.957 884 HD3 PRO 5 HD1 PRO 5 119.546 16.892 -8.645 885 H GLU 6 HN GLU 6 114.885 15.433 -5.963 886 HA GLU 6 HA GLU 6 114.608 17.741 -4.135 887 HB2 GLU 6 HB2 GLU 6 112.362 16.649 -5.843 888 HB3 GLU 6 HB1 GLU 6 112.055 17.515 -4.338 889 HG2 GLU 6 HG2 GLU 6 113.420 19.426 -5.230 890 HG3 GLU 6 HG1 GLU 6 113.523 18.572 -6.770 891 H LYS 7 HN LYS 7 115.824 15.525 -3.339 892 HA LYS 7 HA LYS 7 115.748 13.749 -1.809 893 HB2 LYS 7 HB2 LYS 7 113.074 14.867 -0.950 894 HB3 LYS 7 HB1 LYS 7 114.282 14.041 0.035 895 HG2 LYS 7 HG2 LYS 7 115.855 15.954 -0.421 896 HG3 LYS 7 HG1 LYS 7 114.517 16.795 -1.203 897 HD2 LYS 7 HD2 LYS 7 113.210 16.429 0.968 898 HD3 LYS 7 HD1 LYS 7 114.750 15.969 1.695 899 HE2 LYS 7 HE2 LYS 7 114.064 18.624 0.407 900 HE3 LYS 7 HE1 LYS 7 114.413 18.328 2.110 901 HZ1 LYS 7 HZ1 LYS 7 116.644 17.857 1.635 902 HZ2 LYS 7 HZ2 LYS 7 116.287 19.238 0.713 903 HZ3 LYS 7 HZ3 LYS 7 116.360 17.712 -0.030 904 H ARG 8 HN ARG 8 114.193 11.893 -1.024 905 HA ARG 8 HA ARG 8 112.939 10.778 -3.457 906 HB2 ARG 8 HB2 ARG 8 113.019 9.382 -0.785 907 HB3 ARG 8 HB1 ARG 8 113.114 8.696 -2.406 908 HG2 ARG 8 HG2 ARG 8 115.353 10.255 -2.442 909 HG3 ARG 8 HG1 ARG 8 115.271 9.906 -0.721 910 HD2 ARG 8 HD2 ARG 8 115.415 7.547 -1.105 911 HD3 ARG 8 HD1 ARG 8 115.124 7.737 -2.830 912 HE ARG 8 HE ARG 8 117.430 9.232 -2.306 913 HH11 ARG 8 HH21 ARG 8 116.322 5.993 -1.942 914 HH12 ARG 8 HH22 ARG 8 117.901 5.296 -2.079 915 HH21 ARG 8 HH11 ARG 8 119.499 8.345 -2.489 916 HH22 ARG 8 HH12 ARG 8 119.701 6.627 -2.388 917 H VAL 9 HN VAL 9 110.802 9.495 -2.978 918 HA VAL 9 HA VAL 9 108.728 11.303 -2.403 919 HB VAL 9 HB VAL 9 108.913 8.295 -2.367 920 HG11 VAL 9 HG11 VAL 9 106.537 9.981 -1.553 921 HG12 VAL 9 HG12 VAL 9 107.260 8.634 -0.673 922 HG13 VAL 9 HG13 VAL 9 106.360 8.334 -2.159 923 HG21 VAL 9 HG21 VAL 9 108.843 9.636 -4.500 924 HG22 VAL 9 HG22 VAL 9 107.230 10.178 -4.035 925 HG23 VAL 9 HG23 VAL 9 107.532 8.467 -4.337 926 H ALA 10 HN ALA 10 107.280 11.337 -0.484 927 HA ALA 10 HA ALA 10 108.817 10.904 2.064 928 HB1 ALA 10 HB1 ALA 10 107.694 12.808 2.973 929 HB2 ALA 10 HB2 ALA 10 106.560 12.868 1.623 930 HB3 ALA 10 HB3 ALA 10 108.254 13.288 1.371 931 H SER 11 HN SER 11 107.710 10.026 3.839 932 HA SER 11 HA SER 11 104.877 9.232 3.524 933 HB2 SER 11 HB2 SER 11 106.012 7.336 2.516 934 HB3 SER 11 HB1 SER 11 107.140 7.240 3.863 935 HG SER 11 HG SER 11 105.032 5.885 3.722 936 H SER 12 HN SER 12 103.866 9.333 5.493 937 HA SER 12 HA SER 12 105.484 9.053 7.976 938 HB2 SER 12 HB2 SER 12 104.417 11.145 8.876 939 HB3 SER 12 HB1 SER 12 105.553 11.437 7.563 940 HG SER 12 HG SER 12 103.174 10.963 6.498 941 H VAL 13 HN VAL 13 104.403 7.653 9.232 942 HA VAL 13 HA VAL 13 101.566 7.961 9.779 943 HB VAL 13 HB VAL 13 101.362 6.783 7.675 944 HG11 VAL 13 HG11 VAL 13 103.626 5.878 7.528 945 HG12 VAL 13 HG12 VAL 13 102.456 4.570 7.356 946 HG13 VAL 13 HG13 VAL 13 103.305 4.798 8.885 947 HG21 VAL 13 HG21 VAL 13 100.006 6.054 9.757 948 HG22 VAL 13 HG22 VAL 13 101.054 4.634 9.774 949 HG23 VAL 13 HG23 VAL 13 100.031 4.959 8.376 950 H PHE 14 HN PHE 14 100.857 6.151 11.333 951 HA PHE 14 HA PHE 14 102.827 4.471 12.555 952 HB2 PHE 14 HB2 PHE 14 103.272 5.642 14.568 953 HB3 PHE 14 HB1 PHE 14 103.726 6.688 13.255 954 HD1 PHE 14 HD2 PHE 14 101.788 8.299 12.392 955 HD2 PHE 14 HD1 PHE 14 101.966 6.524 16.300 956 HE1 PHE 14 HE2 PHE 14 100.291 10.065 13.264 957 HE2 PHE 14 HE1 PHE 14 100.473 8.294 17.173 958 HZ PHE 14 HZ PHE 14 99.629 10.066 15.655 959 H ILE 15 HN ILE 15 102.059 4.414 15.171 960 HA ILE 15 HA ILE 15 99.121 4.249 15.331 961 HB ILE 15 HB ILE 15 99.534 1.819 16.266 962 HG12 ILE 15 HG12 ILE 15 101.790 1.994 14.264 963 HG13 ILE 15 HG11 ILE 15 102.054 2.144 16.002 964 HG21 ILE 15 HG21 ILE 15 98.194 2.397 14.239 965 HG22 ILE 15 HG22 ILE 15 99.071 0.878 14.063 966 HG23 ILE 15 HG23 ILE 15 99.676 2.339 13.284 967 HD11 ILE 15 HD11 ILE 15 100.985 -0.066 16.343 968 HD12 ILE 15 HD12 ILE 15 102.395 -0.183 15.291 969 HD13 ILE 15 HD13 ILE 15 100.773 -0.221 14.599 970 H THR 16 HN THR 16 98.532 3.565 17.659 971 HA THR 16 HA THR 16 100.683 4.108 19.641 972 HB THR 16 HB THR 16 99.744 6.319 19.233 973 HG1 THR 16 HG1 THR 16 99.797 5.130 21.513 974 HG21 THR 16 HG21 THR 16 97.608 5.524 18.235 975 HG22 THR 16 HG22 THR 16 97.351 6.757 19.469 976 HG23 THR 16 HG23 THR 16 97.056 5.059 19.844 977 H LEU 17 HN LEU 17 100.045 3.440 21.827 978 HA LEU 17 HA LEU 17 97.618 1.679 21.915 979 HB2 LEU 17 HB2 LEU 17 99.180 0.219 23.479 980 HB3 LEU 17 HB1 LEU 17 99.227 0.007 21.732 981 HG LEU 17 HG LEU 17 101.067 2.067 22.922 982 HD11 LEU 17 HD11 LEU 17 101.340 -0.920 23.264 983 HD12 LEU 17 HD12 LEU 17 101.606 0.356 24.450 984 HD13 LEU 17 HD13 LEU 17 102.769 0.107 23.150 985 HD21 LEU 17 HD21 LEU 17 100.758 1.407 20.408 986 HD22 LEU 17 HD22 LEU 17 101.696 -0.022 20.827 987 HD23 LEU 17 HD23 LEU 17 102.397 1.584 21.031 988 H ALA 18 HN ALA 18 96.665 1.477 23.969 989 HA ALA 18 HA ALA 18 97.747 3.058 26.224 990 HB1 ALA 18 HB1 ALA 18 94.987 3.588 25.096 991 HB2 ALA 18 HB2 ALA 18 96.382 4.632 24.821 992 HB3 ALA 18 HB3 ALA 18 95.752 4.413 26.454 993 HA PRO 19 HA PRO 19 95.630 -0.955 27.242 994 HB2 PRO 19 HB2 PRO 19 97.457 -1.154 29.513 995 HB3 PRO 19 HB1 PRO 19 97.340 -2.215 28.102 996 HG2 PRO 19 HG2 PRO 19 99.426 -0.341 28.648 997 HG3 PRO 19 HG1 PRO 19 99.196 -1.263 27.155 998 HD2 PRO 19 HD2 PRO 19 98.737 1.585 27.616 999 HD3 PRO 19 HD1 PRO 19 98.694 0.700 26.076 1000 HA PRO 20 HA PRO 20 92.990 0.531 30.434 1001 HB2 PRO 20 HB2 PRO 20 93.275 -1.656 32.334 1002 HB3 PRO 20 HB1 PRO 20 91.953 -1.362 31.200 1003 HG2 PRO 20 HG2 PRO 20 94.025 -3.378 31.021 1004 HG3 PRO 20 HG1 PRO 20 92.681 -3.102 29.904 1005 HD2 PRO 20 HD2 PRO 20 95.468 -2.529 29.454 1006 HD3 PRO 20 HD1 PRO 20 94.105 -2.191 28.368 1007 H ARG 21 HN ARG 21 93.368 -0.167 33.338 1008 HA ARG 21 HA ARG 21 94.475 0.712 35.201 1009 HB2 ARG 21 HB2 ARG 21 96.954 0.921 33.483 1010 HB3 ARG 21 HB1 ARG 21 96.846 0.660 35.221 1011 HG2 ARG 21 HG2 ARG 21 95.725 -1.544 34.756 1012 HG3 ARG 21 HG1 ARG 21 96.065 -1.296 33.043 1013 HD2 ARG 21 HD2 ARG 21 97.828 -2.670 34.026 1014 HD3 ARG 21 HD1 ARG 21 98.487 -1.097 33.581 1015 HE ARG 21 HE ARG 21 97.718 -0.783 36.230 1016 HH11 ARG 21 HH21 ARG 21 99.678 -2.961 34.416 1017 HH12 ARG 21 HH22 ARG 21 100.755 -3.298 35.731 1018 HH21 ARG 21 HH11 ARG 21 99.114 -1.208 37.959 1019 HH22 ARG 21 HH12 ARG 21 100.436 -2.305 37.736 1020 H ARG 22 HN ARG 22 92.997 2.599 34.400 1021 HA ARG 22 HA ARG 22 94.503 5.040 34.704 1022 HB2 ARG 22 HB2 ARG 22 94.797 4.342 32.208 1023 HB3 ARG 22 HB1 ARG 22 93.113 4.829 32.029 1024 HG2 ARG 22 HG2 ARG 22 94.279 6.797 31.510 1025 HG3 ARG 22 HG1 ARG 22 93.853 7.033 33.202 1026 HD2 ARG 22 HD2 ARG 22 96.303 5.701 33.363 1027 HD3 ARG 22 HD1 ARG 22 96.524 6.759 31.974 1028 HE ARG 22 HE ARG 22 96.682 7.605 34.639 1029 HH11 ARG 22 HH21 ARG 22 94.788 8.403 31.860 1030 HH12 ARG 22 HH22 ARG 22 94.442 10.006 32.404 1031 HH21 ARG 22 HH11 ARG 22 96.242 9.691 35.343 1032 HH22 ARG 22 HH12 ARG 22 95.266 10.737 34.367 1033 H ASP 23 HN ASP 23 92.220 6.279 32.920 1034 HA ASP 23 HA ASP 23 90.315 6.508 35.168 1035 HB2 ASP 23 HB2 ASP 23 90.517 7.898 32.482 1036 HB3 ASP 23 HB1 ASP 23 89.233 8.213 33.650 1037 H VAL 24 HN VAL 24 88.417 5.396 35.240 1038 HA VAL 24 HA VAL 24 86.772 3.842 34.597 1039 HB VAL 24 HB VAL 24 86.956 5.381 31.990 1040 HG11 VAL 24 HG11 VAL 24 85.603 3.350 31.832 1041 HG12 VAL 24 HG12 VAL 24 84.545 4.761 31.838 1042 HG13 VAL 24 HG13 VAL 24 84.729 3.790 33.299 1043 HG21 VAL 24 HG21 VAL 24 85.109 6.750 33.042 1044 HG22 VAL 24 HG22 VAL 24 86.687 6.962 33.800 1045 HG23 VAL 24 HG23 VAL 24 85.468 5.947 34.571 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 116.247 8.840 42.582 2 H2 GLY 1 HT2 GLY 1 115.171 9.958 43.272 3 H3 GLY 1 HT3 GLY 1 115.494 8.490 44.063 4 HA2 GLY 1 HA2 GLY 1 117.266 10.931 43.697 5 HA3 GLY 1 HA1 GLY 1 116.866 9.995 45.165 6 H ILE 2 HN ILE 2 117.191 7.379 44.406 7 HA ILE 2 HA ILE 2 120.050 7.213 44.799 8 HB ILE 2 HB ILE 2 119.504 5.879 47.081 9 HG12 ILE 2 HG12 ILE 2 117.770 7.037 48.387 10 HG13 ILE 2 HG11 ILE 2 117.374 8.042 46.998 11 HG21 ILE 2 HG21 ILE 2 120.994 7.954 46.723 12 HG22 ILE 2 HG22 ILE 2 120.315 7.703 48.326 13 HG23 ILE 2 HG23 ILE 2 119.592 8.889 47.247 14 HD11 ILE 2 HD11 ILE 2 115.861 6.025 47.370 15 HD12 ILE 2 HD12 ILE 2 117.236 5.020 46.917 16 HD13 ILE 2 HD13 ILE 2 116.557 6.162 45.756 17 HA PRO 3 HA PRO 3 117.256 3.643 43.156 18 HB2 PRO 3 HB2 PRO 3 118.627 3.796 40.637 19 HB3 PRO 3 HB1 PRO 3 116.936 4.203 40.957 20 HG2 PRO 3 HG2 PRO 3 119.217 6.025 40.528 21 HG3 PRO 3 HG1 PRO 3 117.483 6.381 40.473 22 HD2 PRO 3 HD2 PRO 3 119.220 7.180 42.533 23 HD3 PRO 3 HD1 PRO 3 117.447 7.093 42.645 24 H GLU 4 HN GLU 4 120.343 3.994 41.501 25 HA GLU 4 HA GLU 4 122.342 2.714 41.749 26 HB2 GLU 4 HB2 GLU 4 121.661 3.029 44.360 27 HB3 GLU 4 HB1 GLU 4 121.330 1.304 44.215 28 HG2 GLU 4 HG2 GLU 4 123.647 1.044 43.219 29 HG3 GLU 4 HG1 GLU 4 123.952 2.720 43.675 30 H PHE 5 HN PHE 5 119.166 1.758 41.927 31 HA PHE 5 HA PHE 5 119.459 -1.039 41.105 32 HB2 PHE 5 HB2 PHE 5 117.319 0.882 42.044 33 HB3 PHE 5 HB1 PHE 5 116.796 -0.382 40.903 34 HD1 PHE 5 HD2 PHE 5 117.042 -2.790 41.486 35 HD2 PHE 5 HD1 PHE 5 117.980 0.327 44.290 36 HE1 PHE 5 HE2 PHE 5 116.995 -4.441 43.337 37 HE2 PHE 5 HE1 PHE 5 117.933 -1.324 46.140 38 HZ PHE 5 HZ PHE 5 117.440 -3.707 45.664 39 H PHE 6 HN PHE 6 120.308 1.601 39.835 40 HA PHE 6 HA PHE 6 120.273 2.729 37.833 41 HB2 PHE 6 HB2 PHE 6 120.300 1.272 35.808 42 HB3 PHE 6 HB1 PHE 6 121.439 0.766 37.054 43 HD1 PHE 6 HD2 PHE 6 120.991 -1.228 38.451 44 HD2 PHE 6 HD1 PHE 6 118.374 -0.101 35.236 45 HE1 PHE 6 HE2 PHE 6 119.952 -3.478 38.507 46 HE2 PHE 6 HE1 PHE 6 117.338 -2.351 35.291 47 HZ PHE 6 HZ PHE 6 118.126 -4.040 36.927 48 H GLN 7 HN GLN 7 118.774 1.917 35.457 49 HA GLN 7 HA GLN 7 116.587 2.078 34.559 50 HB2 GLN 7 HB2 GLN 7 115.909 1.047 36.971 51 HB3 GLN 7 HB1 GLN 7 115.341 2.694 37.235 52 HG2 GLN 7 HG2 GLN 7 114.011 2.544 35.136 53 HG3 GLN 7 HG1 GLN 7 114.527 0.867 34.955 54 HE21 GLN 7 HE21 GLN 7 113.285 -0.697 36.033 55 HE22 GLN 7 HE22 GLN 7 112.119 -0.350 37.216 56 H PHE 8 HN PHE 8 118.429 3.997 36.477 57 HA PHE 8 HA PHE 8 117.479 6.428 35.165 58 HB2 PHE 8 HB2 PHE 8 116.239 6.201 37.419 59 HB3 PHE 8 HB1 PHE 8 117.814 6.473 38.164 60 HD1 PHE 8 HD1 PHE 8 115.243 7.951 35.932 61 HD2 PHE 8 HD2 PHE 8 118.834 8.646 38.184 62 HE1 PHE 8 HE1 PHE 8 114.985 10.394 35.589 63 HE2 PHE 8 HE2 PHE 8 118.576 11.089 37.842 64 HZ PHE 8 HZ PHE 8 116.652 11.962 36.543 65 H THR 9 HN THR 9 119.706 4.826 37.308 66 HA THR 9 HA THR 9 121.866 6.759 36.640 67 HB THR 9 HB THR 9 121.979 4.249 38.355 68 HG1 THR 9 HG1 THR 9 122.121 6.459 39.785 69 HG21 THR 9 HG21 THR 9 123.954 5.589 39.333 70 HG22 THR 9 HG22 THR 9 123.845 6.571 37.873 71 HG23 THR 9 HG23 THR 9 124.186 4.845 37.752 72 H VAL 10 HN VAL 10 120.292 4.305 35.274 73 HA VAL 10 HA VAL 10 122.027 2.335 34.432 74 HB VAL 10 HB VAL 10 119.664 2.414 33.799 75 HG11 VAL 10 HG11 VAL 10 120.464 4.602 31.868 76 HG12 VAL 10 HG12 VAL 10 119.592 4.868 33.374 77 HG13 VAL 10 HG13 VAL 10 118.853 3.923 32.081 78 HG21 VAL 10 HG21 VAL 10 121.208 1.033 32.444 79 HG22 VAL 10 HG22 VAL 10 121.482 2.402 31.370 80 HG23 VAL 10 HG23 VAL 10 119.885 1.667 31.467 81 H GLY 11 HN GLY 11 121.806 5.649 33.254 82 HA2 GLY 11 HA2 GLY 11 124.237 6.455 32.674 83 HA3 GLY 11 HA1 GLY 11 124.130 5.223 31.422 84 HA PRO 12 HA PRO 12 122.056 8.172 28.805 85 HB2 PRO 12 HB2 PRO 12 120.187 6.488 27.552 86 HB3 PRO 12 HB1 PRO 12 121.879 6.663 27.062 87 HG2 PRO 12 HG2 PRO 12 120.591 4.462 28.610 88 HG3 PRO 12 HG1 PRO 12 121.998 4.402 27.540 89 HD2 PRO 12 HD2 PRO 12 122.147 4.350 30.314 90 HD3 PRO 12 HD1 PRO 12 123.468 4.870 29.252 91 H LEU 13 HN LEU 13 121.163 7.961 31.480 92 HA LEU 13 HA LEU 13 119.289 8.065 32.915 93 HB2 LEU 13 HB2 LEU 13 117.901 10.161 32.230 94 HB3 LEU 13 HB1 LEU 13 119.593 10.363 32.662 95 HG LEU 13 HG LEU 13 118.907 9.895 29.772 96 HD11 LEU 13 HD11 LEU 13 118.598 12.325 29.445 97 HD12 LEU 13 HD12 LEU 13 118.626 12.550 31.194 98 HD13 LEU 13 HD13 LEU 13 117.321 11.630 30.444 99 HD21 LEU 13 HD21 LEU 13 120.937 11.027 29.365 100 HD22 LEU 13 HD22 LEU 13 121.285 10.131 30.840 101 HD23 LEU 13 HD23 LEU 13 120.900 11.845 30.926 102 H GLY 14 HN GLY 14 118.841 6.087 30.897 103 HA2 GLY 14 HA2 GLY 14 117.054 4.740 30.208 104 HA3 GLY 14 HA1 GLY 14 116.008 5.749 31.204 105 H GLU 15 HN GLU 15 116.652 8.235 29.852 106 HA GLU 15 HA GLU 15 115.816 9.501 28.071 107 HB2 GLU 15 HB2 GLU 15 117.549 7.943 26.928 108 HB3 GLU 15 HB1 GLU 15 116.149 7.042 26.362 109 HG2 GLU 15 HG2 GLU 15 116.725 8.631 24.641 110 HG3 GLU 15 HG1 GLU 15 115.248 9.205 25.409 111 H GLY 16 HN GLY 16 114.265 6.959 29.407 112 HA2 GLY 16 HA2 GLY 16 111.994 6.426 29.521 113 HA3 GLY 16 HA1 GLY 16 111.679 7.815 28.486 114 H GLY 17 HN GLY 17 111.598 4.470 28.635 115 HA2 GLY 17 HA2 GLY 17 110.814 2.963 27.010 116 HA3 GLY 17 HA1 GLY 17 110.789 4.272 25.846 117 H ALA 18 HN ALA 18 113.361 5.070 25.663 118 HA ALA 18 HA ALA 18 114.575 3.193 23.978 119 HB1 ALA 18 HB1 ALA 18 116.322 4.692 23.824 120 HB2 ALA 18 HB2 ALA 18 116.449 4.887 25.571 121 HB3 ALA 18 HB3 ALA 18 115.188 5.735 24.680 122 H HIS 19 HN HIS 19 114.164 2.838 27.291 123 HA HIS 19 HA HIS 19 116.597 1.165 27.635 124 HB2 HIS 19 HB2 HIS 19 116.165 2.720 29.432 125 HB3 HIS 19 HB1 HIS 19 114.501 2.159 29.582 126 HD1 HIS 19 HD1 HIS 19 114.137 0.408 31.316 127 HD2 HIS 19 HD2 HIS 19 118.089 0.441 29.991 128 HE1 HIS 19 HE1 HIS 19 115.371 -1.313 32.704 129 H LYS 20 HN LYS 20 113.377 0.738 26.666 130 HA LYS 20 HA LYS 20 113.558 -2.175 27.332 131 HB2 LYS 20 HB2 LYS 20 111.120 -2.177 27.850 132 HB3 LYS 20 HB1 LYS 20 112.071 -1.250 29.005 133 HG2 LYS 20 HG2 LYS 20 110.519 0.396 28.633 134 HG3 LYS 20 HG1 LYS 20 111.444 0.714 27.174 135 HD2 LYS 20 HD2 LYS 20 109.950 -0.933 25.969 136 HD3 LYS 20 HD1 LYS 20 108.960 -1.002 27.427 137 HE2 LYS 20 HE2 LYS 20 108.916 1.608 27.221 138 HE3 LYS 20 HE1 LYS 20 109.389 1.309 25.549 139 HZ1 LYS 20 HZ1 LYS 20 107.338 0.680 25.054 140 HZ2 LYS 20 HZ2 LYS 20 106.849 1.203 26.595 141 HZ3 LYS 20 HZ3 LYS 20 107.283 -0.420 26.343 142 H VAL 21 HN VAL 21 113.351 0.064 24.939 143 HA VAL 21 HA VAL 21 111.409 -1.407 23.258 144 HB VAL 21 HB VAL 21 113.160 1.016 22.732 145 HG11 VAL 21 HG11 VAL 21 111.734 1.200 20.637 146 HG12 VAL 21 HG12 VAL 21 111.197 -0.451 20.945 147 HG13 VAL 21 HG13 VAL 21 112.898 -0.123 20.618 148 HG21 VAL 21 HG21 VAL 21 110.189 0.603 23.164 149 HG22 VAL 21 HG22 VAL 21 110.897 2.115 22.602 150 HG23 VAL 21 HG23 VAL 21 111.299 1.497 24.201 151 H ARG 22 HN ARG 22 112.062 -3.221 22.344 152 HA ARG 22 HA ARG 22 114.901 -3.490 21.423 153 HB2 ARG 22 HB2 ARG 22 114.219 -5.067 23.204 154 HB3 ARG 22 HB1 ARG 22 112.872 -5.600 22.208 155 HG2 ARG 22 HG2 ARG 22 114.515 -7.249 21.821 156 HG3 ARG 22 HG1 ARG 22 114.706 -6.188 20.432 157 HD2 ARG 22 HD2 ARG 22 116.885 -6.789 21.470 158 HD3 ARG 22 HD1 ARG 22 116.589 -5.055 21.517 159 HE ARG 22 HE ARG 22 115.605 -5.969 23.946 160 HH11 ARG 22 HH21 ARG 22 118.555 -6.214 22.176 161 HH12 ARG 22 HH22 ARG 22 119.550 -6.311 23.590 162 HH21 ARG 22 HH11 ARG 22 116.890 -6.097 25.803 163 HH22 ARG 22 HH12 ARG 22 118.608 -6.245 25.642 164 H ALA 23 HN ALA 23 115.236 -3.982 19.284 165 HA ALA 23 HA ALA 23 112.943 -4.808 17.592 166 HB1 ALA 23 HB1 ALA 23 113.116 -2.247 17.656 167 HB2 ALA 23 HB2 ALA 23 113.154 -2.994 16.059 168 HB3 ALA 23 HB3 ALA 23 114.650 -2.436 16.808 169 H GLY 24 HN GLY 24 113.768 -6.590 16.627 170 HA2 GLY 24 HA2 GLY 24 116.336 -6.380 15.177 171 HA3 GLY 24 HA1 GLY 24 116.260 -7.604 16.446 172 H GLY 25 HN GLY 25 116.143 -7.448 13.261 173 HA2 GLY 25 HA2 GLY 25 114.852 -9.963 12.904 174 HA3 GLY 25 HA1 GLY 25 113.720 -8.689 12.451 175 H THR 26 HN THR 26 114.236 -10.127 10.357 176 HA THR 26 HA THR 26 116.699 -9.371 8.969 177 HB THR 26 HB THR 26 115.433 -10.457 6.990 178 HG1 THR 26 HG1 THR 26 113.373 -10.485 7.552 179 HG21 THR 26 HG21 THR 26 115.856 -12.710 7.858 180 HG22 THR 26 HG22 THR 26 115.885 -12.084 9.507 181 HG23 THR 26 HG23 THR 26 117.143 -11.615 8.364 182 H GLY 27 HN GLY 27 113.428 -8.196 9.215 183 HA2 GLY 27 HA2 GLY 27 113.403 -6.594 6.824 184 HA3 GLY 27 HA1 GLY 27 112.369 -6.347 8.236 185 H LEU 28 HN LEU 28 114.985 -6.353 9.843 186 HA LEU 28 HA LEU 28 115.434 -3.434 9.648 187 HB2 LEU 28 HB2 LEU 28 116.267 -5.578 11.614 188 HB3 LEU 28 HB1 LEU 28 116.905 -3.942 11.698 189 HG LEU 28 HG LEU 28 113.941 -4.574 11.692 190 HD11 LEU 28 HD11 LEU 28 114.201 -3.966 14.196 191 HD12 LEU 28 HD12 LEU 28 115.914 -4.314 13.966 192 HD13 LEU 28 HD13 LEU 28 114.712 -5.575 13.688 193 HD21 LEU 28 HD21 LEU 28 114.061 -2.208 12.896 194 HD22 LEU 28 HD22 LEU 28 114.107 -2.305 11.141 195 HD23 LEU 28 HD23 LEU 28 115.601 -2.079 12.048 196 H GLU 29 HN GLU 29 116.396 -5.320 7.563 197 HA GLU 29 HA GLU 29 119.275 -4.535 7.642 198 HB2 GLU 29 HB2 GLU 29 118.410 -7.266 6.677 199 HB3 GLU 29 HB1 GLU 29 120.035 -6.706 7.077 200 HG2 GLU 29 HG2 GLU 29 119.225 -6.399 9.463 201 HG3 GLU 29 HG1 GLU 29 117.751 -7.245 8.989 202 H ARG 30 HN ARG 30 117.032 -6.350 5.487 203 HA ARG 30 HA ARG 30 117.394 -4.235 3.426 204 HB2 ARG 30 HB2 ARG 30 117.873 -7.100 2.607 205 HB3 ARG 30 HB1 ARG 30 118.351 -5.614 1.787 206 HG2 ARG 30 HG2 ARG 30 119.981 -5.156 3.601 207 HG3 ARG 30 HG1 ARG 30 119.522 -6.673 4.377 208 HD2 ARG 30 HD2 ARG 30 120.107 -7.792 2.126 209 HD3 ARG 30 HD1 ARG 30 120.919 -6.277 1.731 210 HE ARG 30 HE ARG 30 121.952 -6.937 4.210 211 HH11 ARG 30 HH21 ARG 30 121.554 -8.519 1.172 212 HH12 ARG 30 HH22 ARG 30 122.967 -9.504 1.349 213 HH21 ARG 30 HH11 ARG 30 123.801 -8.217 4.458 214 HH22 ARG 30 HH12 ARG 30 124.239 -9.334 3.208 215 H GLY 31 HN GLY 31 115.993 -4.735 1.467 216 HA2 GLY 31 HA2 GLY 31 113.694 -6.534 2.027 217 HA3 GLY 31 HA1 GLY 31 113.348 -4.820 1.762 218 H VAL 32 HN VAL 32 112.251 -6.476 -0.114 219 HA VAL 32 HA VAL 32 114.019 -6.017 -2.484 220 HB VAL 32 HB VAL 32 112.532 -8.525 -1.742 221 HG11 VAL 32 HG11 VAL 32 113.561 -7.662 -4.450 222 HG12 VAL 32 HG12 VAL 32 111.940 -8.207 -4.042 223 HG13 VAL 32 HG13 VAL 32 113.280 -9.351 -4.037 224 HG21 VAL 32 HG21 VAL 32 114.969 -8.045 -1.046 225 HG22 VAL 32 HG22 VAL 32 115.357 -8.253 -2.752 226 HG23 VAL 32 HG23 VAL 32 114.640 -9.581 -1.845 227 H ALA 33 HN ALA 33 112.979 -5.607 -4.433 228 HA ALA 33 HA ALA 33 110.824 -3.904 -4.488 229 HB1 ALA 33 HB1 ALA 33 111.487 -3.923 -6.664 230 HB2 ALA 33 HB2 ALA 33 110.589 -5.419 -6.897 231 HB3 ALA 33 HB3 ALA 33 112.284 -5.475 -6.426 232 H GLY 34 HN GLY 34 108.850 -4.098 -3.739 233 HA2 GLY 34 HA2 GLY 34 106.723 -4.914 -3.278 234 HA3 GLY 34 HA1 GLY 34 106.883 -5.778 -4.800 235 H VAL 35 HN VAL 35 108.594 -6.174 -1.676 236 HA VAL 35 HA VAL 35 107.554 -8.971 -1.606 237 HB VAL 35 HB VAL 35 110.352 -7.966 -1.135 238 HG11 VAL 35 HG11 VAL 35 110.797 -10.393 -0.429 239 HG12 VAL 35 HG12 VAL 35 109.055 -10.531 -0.186 240 HG13 VAL 35 HG13 VAL 35 109.988 -9.373 0.762 241 HG21 VAL 35 HG21 VAL 35 110.868 -9.813 -2.724 242 HG22 VAL 35 HG22 VAL 35 109.744 -8.645 -3.420 243 HG23 VAL 35 HG23 VAL 35 109.150 -10.190 -2.816 244 HA PRO 36 HA PRO 36 106.169 -7.334 2.374 245 HB2 PRO 36 HB2 PRO 36 105.557 -9.964 3.401 246 HB3 PRO 36 HB1 PRO 36 104.423 -8.753 2.788 247 HG2 PRO 36 HG2 PRO 36 105.259 -11.221 1.503 248 HG3 PRO 36 HG1 PRO 36 104.061 -10.048 0.936 249 HD2 PRO 36 HD2 PRO 36 106.703 -10.494 -0.123 250 HD3 PRO 36 HD1 PRO 36 105.523 -9.267 -0.638 251 H ALA 37 HN ALA 37 107.867 -6.706 3.641 252 HA ALA 37 HA ALA 37 109.769 -8.793 4.667 253 HB1 ALA 37 HB1 ALA 37 111.282 -6.829 5.087 254 HB2 ALA 37 HB2 ALA 37 110.098 -5.802 4.278 255 HB3 ALA 37 HB3 ALA 37 110.917 -7.080 3.379 256 H GLU 38 HN GLU 38 110.421 -8.502 6.973 257 HA GLU 38 HA GLU 38 108.831 -6.660 8.584 258 HB2 GLU 38 HB2 GLU 38 107.434 -8.190 9.709 259 HB3 GLU 38 HB1 GLU 38 107.329 -8.703 8.025 260 HG2 GLU 38 HG2 GLU 38 109.292 -10.303 8.623 261 HG3 GLU 38 HG1 GLU 38 108.856 -9.971 10.304 262 H PHE 39 HN PHE 39 109.144 -7.073 10.921 263 HA PHE 39 HA PHE 39 111.510 -8.586 11.710 264 HB2 PHE 39 HB2 PHE 39 112.685 -6.600 12.664 265 HB3 PHE 39 HB1 PHE 39 112.617 -6.564 10.906 266 HD1 PHE 39 HD2 PHE 39 110.529 -5.316 9.877 267 HD2 PHE 39 HD1 PHE 39 112.010 -4.700 13.857 268 HE1 PHE 39 HE2 PHE 39 109.417 -3.102 9.946 269 HE2 PHE 39 HE1 PHE 39 110.913 -2.482 13.921 270 HZ PHE 39 HZ PHE 39 109.610 -1.683 11.970 271 H SER 40 HN SER 40 111.853 -7.954 14.197 272 HA SER 40 HA SER 40 109.114 -8.032 15.393 273 HB2 SER 40 HB2 SER 40 111.800 -9.065 16.309 274 HB3 SER 40 HB1 SER 40 110.414 -8.967 17.392 275 HG SER 40 HG SER 40 109.627 -10.055 15.096 276 H ILE 41 HN ILE 41 108.665 -6.805 17.285 277 HA ILE 41 HA ILE 41 110.642 -4.753 18.128 278 HB ILE 41 HB ILE 41 107.789 -4.006 17.440 279 HG12 ILE 41 HG12 ILE 41 110.333 -3.731 15.814 280 HG13 ILE 41 HG11 ILE 41 108.847 -4.553 15.342 281 HG21 ILE 41 HG21 ILE 41 109.157 -2.697 19.168 282 HG22 ILE 41 HG22 ILE 41 108.513 -1.762 17.821 283 HG23 ILE 41 HG23 ILE 41 110.211 -2.236 17.832 284 HD11 ILE 41 HD11 ILE 41 108.582 -2.519 14.238 285 HD12 ILE 41 HD12 ILE 41 109.417 -1.610 15.496 286 HD13 ILE 41 HD13 ILE 41 107.765 -2.165 15.759 287 H TRP 42 HN TRP 42 110.720 -5.936 20.112 288 HA TRP 42 HA TRP 42 108.194 -6.287 21.630 289 HB2 TRP 42 HB2 TRP 42 109.645 -8.148 21.813 290 HB3 TRP 42 HB1 TRP 42 111.061 -7.134 22.030 291 HD1 TRP 42 HD1 TRP 42 107.745 -6.793 23.955 292 HE1 TRP 42 HE1 TRP 42 108.221 -7.134 26.466 293 HE3 TRP 42 HE3 TRP 42 112.685 -8.068 23.751 294 HZ2 TRP 42 HZ2 TRP 42 110.409 -7.855 28.163 295 HZ3 TRP 42 HZ3 TRP 42 113.940 -8.578 25.826 296 HH2 TRP 42 HH2 TRP 42 112.809 -8.473 28.030 297 H THR 43 HN THR 43 107.696 -5.060 23.463 298 HA THR 43 HA THR 43 109.643 -3.259 24.671 299 HB THR 43 HB THR 43 109.159 -1.866 22.781 300 HG1 THR 43 HG1 THR 43 108.315 -0.133 23.817 301 HG21 THR 43 HG21 THR 43 106.303 -2.695 23.294 302 HG22 THR 43 HG22 THR 43 107.247 -2.874 21.816 303 HG23 THR 43 HG23 THR 43 106.696 -1.277 22.322 304 H ARG 44 HN ARG 44 106.832 -1.656 25.015 305 HA ARG 44 HA ARG 44 105.287 -1.522 26.770 306 HB2 ARG 44 HB2 ARG 44 104.341 -3.443 25.525 307 HB3 ARG 44 HB1 ARG 44 105.335 -4.542 26.480 308 HG2 ARG 44 HG2 ARG 44 104.230 -3.836 28.530 309 HG3 ARG 44 HG1 ARG 44 103.297 -2.626 27.655 310 HD2 ARG 44 HD2 ARG 44 102.573 -4.780 26.217 311 HD3 ARG 44 HD1 ARG 44 102.948 -5.604 27.728 312 HE ARG 44 HE ARG 44 100.578 -4.142 27.194 313 HH11 ARG 44 HH21 ARG 44 103.035 -4.337 29.613 314 HH12 ARG 44 HH22 ARG 44 102.076 -3.562 30.824 315 HH21 ARG 44 HH11 ARG 44 99.320 -3.156 28.768 316 HH22 ARG 44 HH12 ARG 44 99.974 -2.903 30.352 317 H GLU 45 HN GLU 45 106.696 -0.735 28.396 318 HA GLU 45 HA GLU 45 107.002 -2.441 30.691 319 HB2 GLU 45 HB2 GLU 45 108.952 -3.095 29.063 320 HB3 GLU 45 HB1 GLU 45 109.667 -1.569 29.578 321 HG2 GLU 45 HG2 GLU 45 109.503 -2.284 31.936 322 HG3 GLU 45 HG1 GLU 45 108.795 -3.815 31.420 323 H ALA 46 HN ALA 46 108.438 0.446 29.109 324 HA ALA 46 HA ALA 46 108.884 1.889 31.530 325 HB1 ALA 46 HB1 ALA 46 109.092 3.858 30.154 326 HB2 ALA 46 HB2 ALA 46 108.168 3.109 28.853 327 HB3 ALA 46 HB3 ALA 46 109.781 2.516 29.244 328 H GLY 47 HN GLY 47 106.143 1.997 29.251 329 HA2 GLY 47 HA2 GLY 47 104.023 1.982 30.941 330 HA3 GLY 47 HA1 GLY 47 104.598 3.639 31.135 331 H ALA 48 HN ALA 48 102.186 3.701 30.167 332 HA ALA 48 HA ALA 48 101.681 3.179 27.446 333 HB1 ALA 48 HB1 ALA 48 100.700 5.632 28.928 334 HB2 ALA 48 HB2 ALA 48 100.023 4.022 29.176 335 HB3 ALA 48 HB3 ALA 48 99.905 4.794 27.595 336 H GLY 49 HN GLY 49 101.749 4.652 25.582 337 HA2 GLY 49 HA2 GLY 49 103.074 7.175 25.611 338 HA3 GLY 49 HA1 GLY 49 104.268 5.930 25.241 339 H GLY 50 HN GLY 50 104.417 7.009 23.110 340 HA2 GLY 50 HA2 GLY 50 102.412 5.877 21.225 341 HA3 GLY 50 HA1 GLY 50 102.729 7.611 21.153 342 H LEU 51 HN LEU 51 103.513 4.822 19.670 343 HA LEU 51 HA LEU 51 106.389 5.472 19.207 344 HB2 LEU 51 HB2 LEU 51 105.779 3.108 19.643 345 HB3 LEU 51 HB1 LEU 51 104.678 3.143 18.269 346 HG LEU 51 HG LEU 51 106.616 3.686 16.784 347 HD11 LEU 51 HD11 LEU 51 108.898 3.021 17.936 348 HD12 LEU 51 HD12 LEU 51 108.069 3.503 19.414 349 HD13 LEU 51 HD13 LEU 51 108.275 4.659 18.099 350 HD21 LEU 51 HD21 LEU 51 107.654 1.387 16.962 351 HD22 LEU 51 HD22 LEU 51 105.891 1.385 16.927 352 HD23 LEU 51 HD23 LEU 51 106.743 1.159 18.455 353 H SER 52 HN SER 52 106.512 7.137 17.747 354 HA SER 52 HA SER 52 104.685 7.177 15.468 355 HB2 SER 52 HB2 SER 52 104.900 9.360 16.256 356 HB3 SER 52 HB1 SER 52 106.590 9.128 16.697 357 HG SER 52 HG SER 52 105.435 9.795 14.260 358 H ILE 53 HN ILE 53 105.432 6.927 13.277 359 HA ILE 53 HA ILE 53 108.316 6.163 12.966 360 HB ILE 53 HB ILE 53 105.933 4.732 11.756 361 HG12 ILE 53 HG12 ILE 53 107.935 3.709 13.791 362 HG13 ILE 53 HG11 ILE 53 106.354 4.352 14.235 363 HG21 ILE 53 HG21 ILE 53 107.806 3.095 11.124 364 HG22 ILE 53 HG22 ILE 53 108.925 4.401 11.513 365 HG23 ILE 53 HG23 ILE 53 107.742 4.608 10.223 366 HD11 ILE 53 HD11 ILE 53 105.223 2.645 12.950 367 HD12 ILE 53 HD12 ILE 53 106.402 1.845 13.988 368 HD13 ILE 53 HD13 ILE 53 106.750 2.077 12.275 369 H ALA 54 HN ALA 54 109.029 7.856 11.745 370 HA ALA 54 HA ALA 54 107.368 8.852 9.491 371 HB1 ALA 54 HB1 ALA 54 108.281 10.668 10.709 372 HB2 ALA 54 HB2 ALA 54 109.364 10.507 9.327 373 HB3 ALA 54 HB3 ALA 54 109.841 9.869 10.900 374 H VAL 55 HN VAL 55 107.611 7.549 7.748 375 HA VAL 55 HA VAL 55 110.299 6.421 7.124 376 HB VAL 55 HB VAL 55 108.689 5.121 5.404 377 HG11 VAL 55 HG11 VAL 55 109.106 4.599 8.343 378 HG12 VAL 55 HG12 VAL 55 109.962 3.885 6.980 379 HG13 VAL 55 HG13 VAL 55 108.286 3.438 7.302 380 HG21 VAL 55 HG21 VAL 55 106.467 4.846 6.191 381 HG22 VAL 55 HG22 VAL 55 106.750 6.584 6.259 382 HG23 VAL 55 HG23 VAL 55 106.830 5.621 7.733 383 H GLU 56 HN GLU 56 111.239 6.693 5.098 384 HA GLU 56 HA GLU 56 109.842 8.415 3.114 385 HB2 GLU 56 HB2 GLU 56 111.221 9.996 4.385 386 HB3 GLU 56 HB1 GLU 56 112.626 8.966 4.203 387 HG2 GLU 56 HG2 GLU 56 112.903 10.629 2.520 388 HG3 GLU 56 HG1 GLU 56 112.280 9.245 1.644 389 H GLY 57 HN GLY 57 110.081 7.548 1.130 390 HA2 GLY 57 HA2 GLY 57 112.451 6.265 0.184 391 HA3 GLY 57 HA1 GLY 57 111.290 5.036 0.688 392 HA PRO 58 HA PRO 58 110.649 6.876 -3.752 393 HB2 PRO 58 HB2 PRO 58 110.661 4.009 -4.499 394 HB3 PRO 58 HB1 PRO 58 111.548 5.368 -5.198 395 HG2 PRO 58 HG2 PRO 58 112.626 3.360 -3.493 396 HG3 PRO 58 HG1 PRO 58 113.438 4.850 -3.997 397 HD2 PRO 58 HD2 PRO 58 112.429 4.191 -1.355 398 HD3 PRO 58 HD1 PRO 58 113.266 5.672 -1.869 399 H SER 59 HN SER 59 109.289 4.427 -1.705 400 HA SER 59 HA SER 59 106.576 5.088 -2.783 401 HB2 SER 59 HB2 SER 59 107.189 3.033 -3.917 402 HB3 SER 59 HB1 SER 59 107.671 2.291 -2.394 403 HG SER 59 HG SER 59 105.068 3.244 -3.028 404 H LYS 60 HN LYS 60 104.832 4.241 -1.324 405 HA LYS 60 HA LYS 60 105.589 4.767 1.486 406 HB2 LYS 60 HB2 LYS 60 103.584 5.840 0.291 407 HB3 LYS 60 HB1 LYS 60 102.809 4.260 0.413 408 HG2 LYS 60 HG2 LYS 60 103.368 4.366 2.923 409 HG3 LYS 60 HG1 LYS 60 103.706 6.076 2.655 410 HD2 LYS 60 HD2 LYS 60 101.391 6.232 1.591 411 HD3 LYS 60 HD1 LYS 60 101.087 4.621 2.243 412 HE2 LYS 60 HE2 LYS 60 101.608 7.184 3.744 413 HE3 LYS 60 HE1 LYS 60 100.258 6.062 3.918 414 HZ1 LYS 60 HZ1 LYS 60 101.615 5.591 5.722 415 HZ2 LYS 60 HZ2 LYS 60 103.049 5.746 4.825 416 HZ3 LYS 60 HZ3 LYS 60 102.046 4.394 4.600 417 H ALA 61 HN ALA 61 106.599 2.802 2.083 418 HA ALA 61 HA ALA 61 105.705 0.194 1.552 419 HB1 ALA 61 HB1 ALA 61 106.847 1.087 4.210 420 HB2 ALA 61 HB2 ALA 61 107.832 0.865 2.764 421 HB3 ALA 61 HB3 ALA 61 106.976 -0.507 3.467 422 H GLU 62 HN GLU 62 104.204 -1.190 2.566 423 HA GLU 62 HA GLU 62 102.076 0.206 4.094 424 HB2 GLU 62 HB2 GLU 62 101.742 -1.421 2.044 425 HB3 GLU 62 HB1 GLU 62 101.920 -2.689 3.255 426 HG2 GLU 62 HG2 GLU 62 99.906 -0.421 3.346 427 HG3 GLU 62 HG1 GLU 62 99.550 -2.108 2.969 428 H ILE 63 HN ILE 63 103.173 0.370 6.108 429 HA ILE 63 HA ILE 63 104.413 -1.754 7.540 430 HB ILE 63 HB ILE 63 102.882 0.607 8.676 431 HG12 ILE 63 HG12 ILE 63 105.736 0.366 7.670 432 HG13 ILE 63 HG11 ILE 63 104.467 1.392 7.002 433 HG21 ILE 63 HG21 ILE 63 103.636 -1.235 10.249 434 HG22 ILE 63 HG22 ILE 63 104.304 0.357 10.599 435 HG23 ILE 63 HG23 ILE 63 105.293 -0.852 9.780 436 HD11 ILE 63 HD11 ILE 63 105.727 2.868 8.345 437 HD12 ILE 63 HD12 ILE 63 105.921 1.675 9.628 438 HD13 ILE 63 HD13 ILE 63 104.356 2.445 9.370 439 H ALA 64 HN ALA 64 103.525 -3.183 9.205 440 HA ALA 64 HA ALA 64 100.585 -3.174 9.549 441 HB1 ALA 64 HB1 ALA 64 101.199 -4.560 7.468 442 HB2 ALA 64 HB2 ALA 64 100.201 -5.348 8.690 443 HB3 ALA 64 HB3 ALA 64 101.923 -5.705 8.595 444 H PHE 65 HN PHE 65 100.405 -3.309 11.728 445 HA PHE 65 HA PHE 65 102.480 -4.687 13.314 446 HB2 PHE 65 HB2 PHE 65 101.123 -3.880 15.254 447 HB3 PHE 65 HB1 PHE 65 101.602 -2.574 14.169 448 HD1 PHE 65 HD1 PHE 65 99.969 -1.568 12.607 449 HD2 PHE 65 HD2 PHE 65 98.811 -4.565 15.458 450 HE1 PHE 65 HE1 PHE 65 97.586 -0.981 12.255 451 HE2 PHE 65 HE2 PHE 65 96.427 -3.977 15.106 452 HZ PHE 65 HZ PHE 65 95.814 -2.185 13.505 453 H GLU 66 HN GLU 66 102.287 -6.809 13.862 454 HA GLU 66 HA GLU 66 99.566 -7.983 14.210 455 HB2 GLU 66 HB2 GLU 66 100.298 -8.500 11.891 456 HB3 GLU 66 HB1 GLU 66 101.761 -9.246 12.537 457 HG2 GLU 66 HG2 GLU 66 100.487 -10.943 13.677 458 HG3 GLU 66 HG1 GLU 66 98.968 -10.122 13.313 459 H ASP 67 HN ASP 67 99.517 -9.049 16.111 460 HA ASP 67 HA ASP 67 102.050 -9.638 17.512 461 HB2 ASP 67 HB2 ASP 67 100.477 -10.297 19.382 462 HB3 ASP 67 HB1 ASP 67 100.323 -8.621 18.851 463 H ARG 68 HN ARG 68 102.890 -11.441 16.409 464 HA ARG 68 HA ARG 68 101.249 -13.958 16.528 465 HB2 ARG 68 HB2 ARG 68 103.065 -12.810 14.464 466 HB3 ARG 68 HB1 ARG 68 103.287 -14.531 14.761 467 HG2 ARG 68 HG2 ARG 68 100.620 -13.227 14.135 468 HG3 ARG 68 HG1 ARG 68 101.635 -14.049 12.953 469 HD2 ARG 68 HD2 ARG 68 101.419 -15.914 15.038 470 HD3 ARG 68 HD1 ARG 68 99.810 -15.205 14.955 471 HE ARG 68 HE ARG 68 100.774 -17.151 13.183 472 HH11 ARG 68 HH21 ARG 68 99.528 -13.936 12.953 473 HH12 ARG 68 HH22 ARG 68 98.978 -14.134 11.325 474 HH21 ARG 68 HH11 ARG 68 100.054 -17.416 11.075 475 HH22 ARG 68 HH12 ARG 68 99.271 -16.101 10.264 476 H LYS 69 HN LYS 69 103.390 -12.404 18.294 477 HA LYS 69 HA LYS 69 105.128 -14.791 18.846 478 HB2 LYS 69 HB2 LYS 69 105.740 -11.958 19.700 479 HB3 LYS 69 HB1 LYS 69 106.848 -13.319 19.533 480 HG2 LYS 69 HG2 LYS 69 105.415 -11.937 17.237 481 HG3 LYS 69 HG1 LYS 69 107.104 -11.702 17.672 482 HD2 LYS 69 HD2 LYS 69 107.455 -14.180 17.342 483 HD3 LYS 69 HD1 LYS 69 105.816 -14.265 16.698 484 HE2 LYS 69 HE2 LYS 69 107.553 -14.028 14.914 485 HE3 LYS 69 HE1 LYS 69 106.376 -12.715 14.914 486 HZ1 LYS 69 HZ1 LYS 69 108.885 -12.473 16.440 487 HZ2 LYS 69 HZ2 LYS 69 107.884 -11.246 15.826 488 HZ3 LYS 69 HZ3 LYS 69 108.864 -12.152 14.775 489 H ASP 70 HN ASP 70 102.548 -12.945 19.991 490 HA ASP 70 HA ASP 70 101.374 -13.046 22.017 491 HB2 ASP 70 HB2 ASP 70 102.336 -15.518 21.776 492 HB3 ASP 70 HB1 ASP 70 103.332 -15.037 23.140 493 H GLY 71 HN GLY 71 104.341 -11.812 21.604 494 HA2 GLY 71 HA2 GLY 71 104.258 -10.387 24.149 495 HA3 GLY 71 HA1 GLY 71 105.622 -11.498 24.019 496 H SER 72 HN SER 72 106.186 -11.211 21.277 497 HA SER 72 HA SER 72 107.386 -8.493 21.267 498 HB2 SER 72 HB2 SER 72 109.015 -10.125 20.761 499 HB3 SER 72 HB1 SER 72 107.904 -11.059 19.769 500 HG SER 72 HG SER 72 108.095 -9.598 18.163 501 H CYS 73 HN CYS 73 106.610 -6.916 19.918 502 HA CYS 73 HA CYS 73 104.232 -7.486 18.314 503 HB2 CYS 73 HB2 CYS 73 105.844 -4.925 18.344 504 HB3 CYS 73 HB1 CYS 73 104.150 -5.123 17.900 505 HG CYS 73 HG CYS 73 104.662 -4.309 20.508 506 H GLY 74 HN GLY 74 104.206 -7.986 16.172 507 HA2 GLY 74 HA2 GLY 74 106.799 -7.921 14.687 508 HA3 GLY 74 HA1 GLY 74 105.403 -8.909 14.266 509 H VAL 75 HN VAL 75 107.090 -6.189 13.409 510 HA VAL 75 HA VAL 75 104.692 -4.823 12.196 511 HB VAL 75 HB VAL 75 107.542 -3.873 12.643 512 HG11 VAL 75 HG11 VAL 75 106.809 -2.848 10.626 513 HG12 VAL 75 HG12 VAL 75 106.482 -1.656 11.885 514 HG13 VAL 75 HG13 VAL 75 105.171 -2.643 11.242 515 HG21 VAL 75 HG21 VAL 75 106.402 -3.767 14.720 516 HG22 VAL 75 HG22 VAL 75 104.877 -3.312 13.961 517 HG23 VAL 75 HG23 VAL 75 106.198 -2.149 14.048 518 H SER 76 HN SER 76 104.303 -5.751 10.257 519 HA SER 76 HA SER 76 106.589 -6.455 8.486 520 HB2 SER 76 HB2 SER 76 105.098 -8.272 8.571 521 HB3 SER 76 HB1 SER 76 103.683 -7.228 8.579 522 HG SER 76 HG SER 76 105.170 -6.776 6.386 523 H TYR 77 HN TYR 77 107.119 -5.128 6.851 524 HA TYR 77 HA TYR 77 105.071 -3.181 5.845 525 HB2 TYR 77 HB2 TYR 77 106.828 -1.523 5.576 526 HB3 TYR 77 HB1 TYR 77 106.814 -2.073 7.250 527 HD1 TYR 77 HD2 TYR 77 108.380 -4.111 7.805 528 HD2 TYR 77 HD1 TYR 77 108.848 -1.559 4.385 529 HE1 TYR 77 HE2 TYR 77 110.746 -4.811 7.603 530 HE2 TYR 77 HE1 TYR 77 111.218 -2.261 4.182 531 HH TYR 77 HH TYR 77 112.805 -3.606 4.955 532 H VAL 78 HN VAL 78 104.783 -3.241 3.660 533 HA VAL 78 HA VAL 78 106.586 -5.052 2.108 534 HB VAL 78 HB VAL 78 104.064 -5.375 2.098 535 HG11 VAL 78 HG11 VAL 78 103.942 -3.091 0.138 536 HG12 VAL 78 HG12 VAL 78 103.765 -2.764 1.859 537 HG13 VAL 78 HG13 VAL 78 102.638 -3.849 1.051 538 HG21 VAL 78 HG21 VAL 78 105.587 -6.283 0.357 539 HG22 VAL 78 HG22 VAL 78 105.393 -4.794 -0.568 540 HG23 VAL 78 HG23 VAL 78 104.010 -5.857 -0.307 541 H VAL 79 HN VAL 79 108.222 -4.037 1.089 542 HA VAL 79 HA VAL 79 108.034 -1.183 0.477 543 HB VAL 79 HB VAL 79 110.350 -1.581 -0.501 544 HG11 VAL 79 HG11 VAL 79 111.302 -2.208 1.821 545 HG12 VAL 79 HG12 VAL 79 109.628 -2.339 2.339 546 HG13 VAL 79 HG13 VAL 79 110.248 -0.798 1.749 547 HG21 VAL 79 HG21 VAL 79 111.380 -3.731 -0.204 548 HG22 VAL 79 HG22 VAL 79 109.829 -4.036 -0.985 549 HG23 VAL 79 HG23 VAL 79 110.017 -4.326 0.744 550 H GLN 80 HN GLN 80 108.467 -0.392 -1.786 551 HA GLN 80 HA GLN 80 106.986 -2.100 -3.737 552 HB2 GLN 80 HB2 GLN 80 106.450 0.408 -3.068 553 HB3 GLN 80 HB1 GLN 80 107.685 0.776 -4.264 554 HG2 GLN 80 HG2 GLN 80 105.077 -0.708 -4.668 555 HG3 GLN 80 HG1 GLN 80 105.611 0.777 -5.451 556 HE21 GLN 80 HE21 GLN 80 106.210 -2.744 -5.318 557 HE22 GLN 80 HE22 GLN 80 106.974 -2.834 -6.831 558 H GLU 81 HN GLU 81 109.953 -0.039 -3.632 559 HA GLU 81 HA GLU 81 111.243 -1.939 -5.429 560 HB2 GLU 81 HB2 GLU 81 111.841 0.281 -6.919 561 HB3 GLU 81 HB1 GLU 81 110.554 -0.856 -7.316 562 HG2 GLU 81 HG2 GLU 81 108.918 0.480 -6.202 563 HG3 GLU 81 HG1 GLU 81 110.152 1.541 -5.527 564 HA PRO 82 HA PRO 82 115.089 -1.087 -3.514 565 HB2 PRO 82 HB2 PRO 82 116.054 -0.237 -6.208 566 HB3 PRO 82 HB1 PRO 82 116.809 -1.341 -5.038 567 HG2 PRO 82 HG2 PRO 82 115.421 -2.270 -7.208 568 HG3 PRO 82 HG1 PRO 82 115.496 -3.112 -5.673 569 HD2 PRO 82 HD2 PRO 82 113.173 -1.759 -6.857 570 HD3 PRO 82 HD1 PRO 82 113.241 -2.929 -5.528 571 H GLY 83 HN GLY 83 116.507 0.535 -2.884 572 HA2 GLY 83 HA2 GLY 83 116.944 3.097 -3.637 573 HA3 GLY 83 HA1 GLY 83 115.297 3.246 -3.018 574 H ASP 84 HN ASP 84 116.482 4.734 -1.473 575 HA ASP 84 HA ASP 84 117.766 3.224 0.777 576 HB2 ASP 84 HB2 ASP 84 117.802 6.221 0.370 577 HB3 ASP 84 HB1 ASP 84 118.860 5.246 1.390 578 H TYR 85 HN TYR 85 115.802 2.574 1.775 579 HA TYR 85 HA TYR 85 113.734 4.542 2.384 580 HB2 TYR 85 HB2 TYR 85 114.151 1.627 2.732 581 HB3 TYR 85 HB1 TYR 85 113.197 2.370 4.013 582 HD1 TYR 85 HD2 TYR 85 111.031 3.416 3.514 583 HD2 TYR 85 HD1 TYR 85 113.364 1.528 0.441 584 HE1 TYR 85 HE2 TYR 85 109.054 3.415 2.014 585 HE2 TYR 85 HE1 TYR 85 111.391 1.524 -1.057 586 HH TYR 85 HH TYR 85 109.243 2.032 -1.271 587 H GLU 86 HN GLU 86 113.537 5.683 4.251 588 HA GLU 86 HA GLU 86 115.621 5.275 6.381 589 HB2 GLU 86 HB2 GLU 86 114.486 7.974 6.376 590 HB3 GLU 86 HB1 GLU 86 116.170 7.490 6.207 591 HG2 GLU 86 HG2 GLU 86 114.202 7.393 3.903 592 HG3 GLU 86 HG1 GLU 86 115.203 8.799 4.248 593 H VAL 87 HN VAL 87 114.682 4.513 8.190 594 HA VAL 87 HA VAL 87 111.836 5.271 8.785 595 HB VAL 87 HB VAL 87 112.263 2.885 8.253 596 HG11 VAL 87 HG11 VAL 87 113.660 1.528 9.625 597 HG12 VAL 87 HG12 VAL 87 113.834 2.805 10.827 598 HG13 VAL 87 HG13 VAL 87 114.613 2.965 9.254 599 HG21 VAL 87 HG21 VAL 87 111.640 3.176 11.199 600 HG22 VAL 87 HG22 VAL 87 110.960 2.021 10.052 601 HG23 VAL 87 HG23 VAL 87 110.520 3.723 9.955 602 H SER 88 HN SER 88 111.440 6.266 10.709 603 HA SER 88 HA SER 88 113.597 6.259 12.798 604 HB2 SER 88 HB2 SER 88 112.722 8.659 13.274 605 HB3 SER 88 HB1 SER 88 113.789 8.426 11.893 606 HG SER 88 HG SER 88 112.008 8.426 10.552 607 H ILE 89 HN ILE 89 112.705 4.989 14.334 608 HA ILE 89 HA ILE 89 109.845 5.439 15.104 609 HB ILE 89 HB ILE 89 109.749 3.202 15.766 610 HG12 ILE 89 HG12 ILE 89 112.769 3.339 15.995 611 HG13 ILE 89 HG11 ILE 89 111.609 3.061 17.290 612 HG21 ILE 89 HG21 ILE 89 110.245 3.581 13.276 613 HG22 ILE 89 HG22 ILE 89 110.499 1.949 13.891 614 HG23 ILE 89 HG23 ILE 89 111.878 3.016 13.633 615 HD11 ILE 89 HD11 ILE 89 112.486 0.910 16.803 616 HD12 ILE 89 HD12 ILE 89 112.392 1.178 15.062 617 HD13 ILE 89 HD13 ILE 89 110.916 0.949 15.999 618 H LYS 90 HN LYS 90 109.365 6.093 17.160 619 HA LYS 90 HA LYS 90 111.489 6.155 19.228 620 HB2 LYS 90 HB2 LYS 90 110.939 8.495 19.731 621 HB3 LYS 90 HB1 LYS 90 111.564 8.361 18.099 622 HG2 LYS 90 HG2 LYS 90 108.895 8.001 17.607 623 HG3 LYS 90 HG1 LYS 90 108.795 9.013 19.035 624 HD2 LYS 90 HD2 LYS 90 108.895 10.671 17.416 625 HD3 LYS 90 HD1 LYS 90 110.622 10.464 17.701 626 HE2 LYS 90 HE2 LYS 90 109.035 9.028 15.552 627 HE3 LYS 90 HE1 LYS 90 110.051 10.445 15.272 628 HZ1 LYS 90 HZ1 LYS 90 110.875 7.732 16.108 629 HZ2 LYS 90 HZ2 LYS 90 111.888 9.078 16.331 630 HZ3 LYS 90 HZ3 LYS 90 111.400 8.628 14.767 631 H PHE 91 HN PHE 91 110.535 5.308 21.058 632 HA PHE 91 HA PHE 91 107.590 5.166 21.182 633 HB2 PHE 91 HB2 PHE 91 108.983 3.297 22.037 634 HB3 PHE 91 HB1 PHE 91 109.638 4.366 23.274 635 HD1 PHE 91 HD1 PHE 91 106.382 3.138 21.901 636 HD2 PHE 91 HD2 PHE 91 108.519 4.556 25.346 637 HE1 PHE 91 HE1 PHE 91 104.403 2.674 23.318 638 HE2 PHE 91 HE2 PHE 91 106.538 4.087 26.766 639 HZ PHE 91 HZ PHE 91 104.480 3.147 25.749 640 H ASN 92 HN ASN 92 106.740 7.187 21.483 641 HA ASN 92 HA ASN 92 106.110 9.092 22.677 642 HB2 ASN 92 HB2 ASN 92 106.487 7.377 24.663 643 HB3 ASN 92 HB1 ASN 92 107.924 8.349 24.970 644 HD21 ASN 92 HD21 ASN 92 107.581 10.688 25.442 645 HD22 ASN 92 HD22 ASN 92 106.085 11.215 26.047 646 H ASP 93 HN ASP 93 108.264 9.148 20.839 647 HA ASP 93 HA ASP 93 109.804 10.746 20.111 648 HB2 ASP 93 HB2 ASP 93 109.827 12.102 22.789 649 HB3 ASP 93 HB1 ASP 93 110.029 12.778 21.175 650 H GLU 94 HN GLU 94 110.427 8.315 22.052 651 HA GLU 94 HA GLU 94 113.198 9.212 22.772 652 HB2 GLU 94 HB2 GLU 94 113.390 7.244 24.140 653 HB3 GLU 94 HB1 GLU 94 111.866 8.029 24.531 654 HG2 GLU 94 HG2 GLU 94 110.989 5.940 24.265 655 HG3 GLU 94 HG1 GLU 94 111.047 6.319 22.555 656 H HIS 95 HN HIS 95 114.140 9.248 20.775 657 HA HIS 95 HA HIS 95 113.780 7.181 18.800 658 HB2 HIS 95 HB2 HIS 95 115.591 8.301 17.597 659 HB3 HIS 95 HB1 HIS 95 114.479 9.506 18.247 660 HD1 HIS 95 HD1 HIS 95 117.983 8.803 18.056 661 HD2 HIS 95 HD2 HIS 95 115.502 10.423 20.988 662 HE1 HIS 95 HE1 HIS 95 119.492 10.050 19.663 663 H ILE 96 HN ILE 96 114.497 5.157 19.116 664 HA ILE 96 HA ILE 96 116.439 4.358 21.008 665 HB ILE 96 HB ILE 96 116.639 2.294 19.442 666 HG12 ILE 96 HG12 ILE 96 114.295 3.646 18.089 667 HG13 ILE 96 HG11 ILE 96 115.933 3.739 17.440 668 HG21 ILE 96 HG21 ILE 96 114.192 1.687 19.920 669 HG22 ILE 96 HG22 ILE 96 114.041 3.301 20.614 670 HG23 ILE 96 HG23 ILE 96 115.173 2.143 21.312 671 HD11 ILE 96 HD11 ILE 96 114.591 1.871 16.453 672 HD12 ILE 96 HD12 ILE 96 114.492 1.146 18.058 673 HD13 ILE 96 HD13 ILE 96 116.057 1.319 17.264 674 HA PRO 97 HA PRO 97 120.269 5.611 19.138 675 HB2 PRO 97 HB2 PRO 97 121.763 3.206 19.667 676 HB3 PRO 97 HB1 PRO 97 121.742 4.687 20.631 677 HG2 PRO 97 HG2 PRO 97 120.456 2.115 21.216 678 HG3 PRO 97 HG1 PRO 97 120.664 3.514 22.281 679 HD2 PRO 97 HD2 PRO 97 118.225 2.665 21.082 680 HD3 PRO 97 HD1 PRO 97 118.510 4.203 21.923 681 H ASP 98 HN ASP 98 118.958 5.296 17.066 682 HA ASP 98 HA ASP 98 120.456 3.803 15.132 683 HB2 ASP 98 HB2 ASP 98 118.843 2.095 16.508 684 HB3 ASP 98 HB1 ASP 98 117.703 2.630 15.277 685 H SER 99 HN SER 99 117.134 4.905 15.787 686 HA SER 99 HA SER 99 116.431 5.532 13.185 687 HB2 SER 99 HB2 SER 99 114.713 5.715 14.769 688 HB3 SER 99 HB1 SER 99 115.683 6.737 15.824 689 HG SER 99 HG SER 99 113.990 7.786 14.501 690 HA PRO 100 HA PRO 100 115.924 6.635 11.511 691 HB2 PRO 100 HB2 PRO 100 116.824 7.914 9.238 692 HB3 PRO 100 HB1 PRO 100 115.619 8.597 10.340 693 HG2 PRO 100 HG2 PRO 100 118.418 9.444 9.922 694 HG3 PRO 100 HG1 PRO 100 117.097 10.318 10.714 695 HD2 PRO 100 HD2 PRO 100 119.271 8.855 11.977 696 HD3 PRO 100 HD1 PRO 100 117.974 9.778 12.765 697 H PHE 101 HN PHE 101 116.709 4.430 11.022 698 HA PHE 101 HA PHE 101 119.486 4.204 9.953 699 HB2 PHE 101 HB2 PHE 101 118.646 1.623 9.840 700 HB3 PHE 101 HB1 PHE 101 119.337 2.338 11.286 701 HD1 PHE 101 HD1 PHE 101 117.585 3.646 12.742 702 HD2 PHE 101 HD2 PHE 101 116.616 0.460 10.093 703 HE1 PHE 101 HE1 PHE 101 115.559 3.202 14.082 704 HE2 PHE 101 HE2 PHE 101 114.565 -0.009 11.412 705 HZ PHE 101 HZ PHE 101 114.033 1.362 13.407 706 H VAL 102 HN VAL 102 119.940 3.310 7.903 707 HA VAL 102 HA VAL 102 117.861 3.880 5.894 708 HB VAL 102 HB VAL 102 120.181 4.636 5.512 709 HG11 VAL 102 HG11 VAL 102 120.922 1.715 5.260 710 HG12 VAL 102 HG12 VAL 102 121.163 2.622 6.753 711 HG13 VAL 102 HG13 VAL 102 121.998 3.111 5.279 712 HG21 VAL 102 HG21 VAL 102 119.559 2.394 3.579 713 HG22 VAL 102 HG22 VAL 102 120.329 3.942 3.235 714 HG23 VAL 102 HG23 VAL 102 118.611 3.880 3.627 715 H VAL 103 HN VAL 103 116.816 2.330 4.699 716 HA VAL 103 HA VAL 103 117.431 -0.553 5.289 717 HB VAL 103 HB VAL 103 114.788 0.840 4.798 718 HG11 VAL 103 HG11 VAL 103 115.546 -2.086 4.858 719 HG12 VAL 103 HG12 VAL 103 114.546 -1.237 3.681 720 HG13 VAL 103 HG13 VAL 103 113.921 -1.559 5.296 721 HG21 VAL 103 HG21 VAL 103 114.311 -0.158 7.070 722 HG22 VAL 103 HG22 VAL 103 115.564 1.083 7.074 723 HG23 VAL 103 HG23 VAL 103 116.010 -0.622 7.156 724 HA PRO 104 HA PRO 104 118.075 0.331 0.794 725 HB2 PRO 104 HB2 PRO 104 119.987 -1.834 0.674 726 HB3 PRO 104 HB1 PRO 104 120.306 -0.096 0.580 727 HG2 PRO 104 HG2 PRO 104 120.925 -1.860 2.772 728 HG3 PRO 104 HG1 PRO 104 121.178 -0.110 2.697 729 HD2 PRO 104 HD2 PRO 104 119.142 -1.582 4.184 730 HD3 PRO 104 HD1 PRO 104 119.503 0.155 4.240 731 H VAL 105 HN VAL 105 116.364 -0.478 -0.314 732 HA VAL 105 HA VAL 105 115.606 -3.334 -0.045 733 HB VAL 105 HB VAL 105 114.349 -0.948 -1.425 734 HG11 VAL 105 HG11 VAL 105 112.459 -2.458 -1.992 735 HG12 VAL 105 HG12 VAL 105 113.394 -3.827 -1.406 736 HG13 VAL 105 HG13 VAL 105 113.928 -2.946 -2.829 737 HG21 VAL 105 HG21 VAL 105 114.190 -1.259 1.076 738 HG22 VAL 105 HG22 VAL 105 113.285 -2.735 0.750 739 HG23 VAL 105 HG23 VAL 105 112.646 -1.177 0.227 740 H ALA 106 HN ALA 106 115.871 -4.803 -1.785 741 HA ALA 106 HA ALA 106 117.457 -3.804 -4.142 742 HB1 ALA 106 HB1 ALA 106 119.101 -5.335 -3.713 743 HB2 ALA 106 HB2 ALA 106 117.957 -6.578 -3.209 744 HB3 ALA 106 HB3 ALA 106 118.440 -5.314 -2.083 745 H SER 107 HN SER 107 116.691 -4.418 -6.092 746 HA SER 107 HA SER 107 114.475 -6.408 -6.248 747 HB2 SER 107 HB2 SER 107 114.135 -5.479 -8.534 748 HB3 SER 107 HB1 SER 107 114.032 -4.221 -7.310 749 HG SER 107 HG SER 107 116.370 -3.939 -7.770 750 H LEU 108 HN LEU 108 115.917 -8.169 -6.015 751 HA LEU 108 HA LEU 108 117.215 -9.939 -6.843 752 HB2 LEU 108 HB2 LEU 108 117.131 -8.612 -9.565 753 HB3 LEU 108 HB1 LEU 108 117.307 -10.321 -9.188 754 HG LEU 108 HG LEU 108 114.822 -8.626 -8.819 755 HD11 LEU 108 HD11 LEU 108 115.382 -9.540 -11.107 756 HD12 LEU 108 HD12 LEU 108 113.853 -10.119 -10.445 757 HD13 LEU 108 HD13 LEU 108 115.277 -11.159 -10.415 758 HD21 LEU 108 HD21 LEU 108 115.520 -11.407 -7.849 759 HD22 LEU 108 HD22 LEU 108 113.849 -10.892 -8.081 760 HD23 LEU 108 HD23 LEU 108 114.874 -10.059 -6.913 761 H SER 109 HN SER 109 118.067 -6.787 -6.653 762 HA SER 109 HA SER 109 120.816 -7.045 -7.706 763 HB2 SER 109 HB2 SER 109 121.047 -4.738 -7.258 764 HB3 SER 109 HB1 SER 109 119.413 -4.927 -7.883 765 HG SER 109 HG SER 109 118.869 -5.182 -5.535 766 H ASP 110 HN ASP 110 119.071 -7.352 -4.719 767 HA ASP 110 HA ASP 110 119.833 -7.768 -2.522 768 HB2 ASP 110 HB2 ASP 110 120.691 -9.781 -3.788 769 HB3 ASP 110 HB1 ASP 110 122.227 -8.934 -3.974 770 H ASP 111 HN ASP 111 120.925 -5.415 -4.271 771 HA ASP 111 HA ASP 111 122.436 -4.156 -2.175 772 HB2 ASP 111 HB2 ASP 111 124.159 -5.737 -3.105 773 HB3 ASP 111 HB1 ASP 111 124.013 -4.905 -4.653 774 H ALA 112 HN ALA 112 121.323 -4.254 -5.546 775 HA ALA 112 HA ALA 112 120.819 -2.457 -7.005 776 HB1 ALA 112 HB1 ALA 112 120.273 -1.020 -4.393 777 HB2 ALA 112 HB2 ALA 112 119.142 -2.130 -5.166 778 HB3 ALA 112 HB3 ALA 112 119.595 -0.629 -5.973 779 H ARG 113 HN ARG 113 123.154 -2.292 -7.534 780 HA ARG 113 HA ARG 113 125.044 -0.698 -6.246 781 HB2 ARG 113 HB2 ARG 113 124.536 -1.437 -9.111 782 HB3 ARG 113 HB1 ARG 113 125.791 -0.255 -8.758 783 HG2 ARG 113 HG2 ARG 113 127.027 -1.795 -7.437 784 HG3 ARG 113 HG1 ARG 113 125.665 -2.910 -7.323 785 HD2 ARG 113 HD2 ARG 113 127.149 -2.232 -9.881 786 HD3 ARG 113 HD1 ARG 113 127.374 -3.705 -8.938 787 HE ARG 113 HE ARG 113 124.655 -3.668 -9.448 788 HH11 ARG 113 HH21 ARG 113 127.545 -3.397 -11.305 789 HH12 ARG 113 HH22 ARG 113 126.868 -4.141 -12.715 790 HH21 ARG 113 HH11 ARG 113 123.753 -4.646 -11.276 791 HH22 ARG 113 HH12 ARG 113 124.720 -4.849 -12.698 792 H ARG 114 HN ARG 114 125.784 1.500 -6.781 793 HA ARG 114 HA ARG 114 123.471 3.358 -7.167 794 HB2 ARG 114 HB2 ARG 114 125.074 3.355 -5.106 795 HB3 ARG 114 HB1 ARG 114 126.228 4.116 -6.201 796 HG2 ARG 114 HG2 ARG 114 124.464 5.855 -6.713 797 HG3 ARG 114 HG1 ARG 114 123.476 5.141 -5.440 798 HD2 ARG 114 HD2 ARG 114 126.142 6.531 -5.178 799 HD3 ARG 114 HD1 ARG 114 124.623 6.917 -4.371 800 HE ARG 114 HE ARG 114 125.201 4.354 -3.496 801 HH11 ARG 114 HH21 ARG 114 126.846 7.380 -3.639 802 HH12 ARG 114 HH22 ARG 114 127.789 7.086 -2.215 803 HH21 ARG 114 HH11 ARG 114 126.422 3.952 -1.636 804 HH22 ARG 114 HH12 ARG 114 127.548 5.145 -1.081 805 H LEU 115 HN LEU 115 125.717 1.965 -9.037 806 HA LEU 115 HA LEU 115 126.177 4.400 -10.743 807 HB2 LEU 115 HB2 LEU 115 127.965 1.960 -10.643 808 HB3 LEU 115 HB1 LEU 115 128.300 3.511 -11.409 809 HG LEU 115 HG LEU 115 127.904 3.135 -8.424 810 HD11 LEU 115 HD11 LEU 115 129.942 1.998 -9.201 811 HD12 LEU 115 HD12 LEU 115 130.353 3.448 -8.284 812 HD13 LEU 115 HD13 LEU 115 130.446 3.463 -10.045 813 HD21 LEU 115 HD21 LEU 115 127.389 5.388 -9.004 814 HD22 LEU 115 HD22 LEU 115 128.690 5.463 -10.190 815 HD23 LEU 115 HD23 LEU 115 129.067 5.434 -8.468 816 H THR 116 HN THR 116 125.335 0.996 -10.633 817 HA THR 116 HA THR 116 124.764 0.995 -13.562 818 HB THR 116 HB THR 116 124.430 -1.570 -12.919 819 HG1 THR 116 HG1 THR 116 126.430 -0.963 -11.085 820 HG21 THR 116 HG21 THR 116 127.073 -0.134 -13.220 821 HG22 THR 116 HG22 THR 116 126.129 -0.930 -14.479 822 HG23 THR 116 HG23 THR 116 126.932 -1.892 -13.239 823 H VAL 117 HN VAL 117 123.329 -0.853 -10.917 824 HA VAL 117 HA VAL 117 120.647 -0.535 -11.879 825 HB VAL 117 HB VAL 117 121.759 -1.123 -9.120 826 HG11 VAL 117 HG11 VAL 117 119.351 -2.032 -8.773 827 HG12 VAL 117 HG12 VAL 117 118.915 -1.022 -10.151 828 HG13 VAL 117 HG13 VAL 117 119.578 -0.285 -8.692 829 HG21 VAL 117 HG21 VAL 117 120.996 -3.441 -9.678 830 HG22 VAL 117 HG22 VAL 117 122.236 -2.850 -10.784 831 HG23 VAL 117 HG23 VAL 117 120.545 -2.873 -11.286 832 H THR 118 HN THR 118 122.866 1.532 -10.524 833 HA THR 118 HA THR 118 122.776 3.556 -9.382 834 HB THR 118 HB THR 118 122.504 4.197 -11.669 835 HG1 THR 118 HG1 THR 118 121.870 5.638 -9.740 836 HG21 THR 118 HG21 THR 118 120.654 2.859 -12.404 837 HG22 THR 118 HG22 THR 118 120.162 4.539 -12.588 838 HG23 THR 118 HG23 THR 118 119.567 3.595 -11.229 839 H SER 119 HN SER 119 121.668 2.133 -7.623 840 HA SER 119 HA SER 119 120.268 2.299 -5.765 841 HB2 SER 119 HB2 SER 119 119.274 4.340 -5.316 842 HB3 SER 119 HB1 SER 119 120.340 4.848 -6.624 843 HG SER 119 HG SER 119 117.774 5.096 -6.564 844 H1 MET 1 HT1 MET 1 122.495 12.469 -14.064 845 H2 MET 1 HT2 MET 1 123.706 13.330 -14.887 846 H3 MET 1 HT3 MET 1 122.203 14.058 -14.581 847 HA MET 1 HA MET 1 122.881 13.480 -12.098 848 HB2 MET 1 HB2 MET 1 125.054 12.511 -12.977 849 HB3 MET 1 HB1 MET 1 125.500 14.146 -13.465 850 HG2 MET 1 HG2 MET 1 125.077 14.862 -11.065 851 HG3 MET 1 HG1 MET 1 124.945 13.151 -10.660 852 HE1 MET 1 HE1 MET 1 127.331 16.103 -10.851 853 HE2 MET 1 HE2 MET 1 126.942 15.759 -12.535 854 HE3 MET 1 HE3 MET 1 128.596 15.554 -11.960 855 H ALA 2 HN ALA 2 121.445 15.309 -12.116 856 HA ALA 2 HA ALA 2 122.261 17.844 -13.273 857 HB1 ALA 2 HB1 ALA 2 120.263 18.733 -12.306 858 HB2 ALA 2 HB2 ALA 2 120.192 17.449 -11.099 859 HB3 ALA 2 HB3 ALA 2 119.863 17.086 -12.793 860 H SER 3 HN SER 3 121.518 17.219 -9.833 861 HA SER 3 HA SER 3 124.120 17.930 -8.867 862 HB2 SER 3 HB2 SER 3 123.423 20.184 -7.897 863 HB3 SER 3 HB1 SER 3 123.710 20.158 -9.633 864 HG SER 3 HG SER 3 121.618 21.069 -8.578 865 H LYS 4 HN LYS 4 120.623 18.049 -8.212 866 HA LYS 4 HA LYS 4 120.908 16.347 -5.891 867 HB2 LYS 4 HB2 LYS 4 121.777 18.507 -4.991 868 HB3 LYS 4 HB1 LYS 4 120.220 19.248 -5.364 869 HG2 LYS 4 HG2 LYS 4 119.071 17.885 -3.792 870 HG3 LYS 4 HG1 LYS 4 120.433 16.774 -3.640 871 HD2 LYS 4 HD2 LYS 4 121.781 18.557 -2.600 872 HD3 LYS 4 HD1 LYS 4 120.426 19.675 -2.756 873 HE2 LYS 4 HE2 LYS 4 120.383 17.090 -1.169 874 HE3 LYS 4 HE1 LYS 4 120.542 18.705 -0.479 875 HZ1 LYS 4 HZ1 LYS 4 118.238 17.652 -2.025 876 HZ2 LYS 4 HZ2 LYS 4 118.401 19.270 -1.533 877 HZ3 LYS 4 HZ3 LYS 4 118.264 18.035 -0.373 878 HA PRO 5 HA PRO 5 116.772 16.659 -8.024 879 HB2 PRO 5 HB2 PRO 5 116.582 13.767 -7.645 880 HB3 PRO 5 HB1 PRO 5 116.632 14.676 -9.162 881 HG2 PRO 5 HG2 PRO 5 118.725 13.059 -8.094 882 HG3 PRO 5 HG1 PRO 5 118.840 14.145 -9.486 883 HD2 PRO 5 HD2 PRO 5 119.956 14.502 -6.803 884 HD3 PRO 5 HD1 PRO 5 120.251 15.479 -8.257 885 H GLU 6 HN GLU 6 114.665 16.267 -7.027 886 HA GLU 6 HA GLU 6 114.457 16.803 -4.305 887 HB2 GLU 6 HB2 GLU 6 112.523 15.151 -5.959 888 HB3 GLU 6 HB1 GLU 6 112.142 15.972 -4.444 889 HG2 GLU 6 HG2 GLU 6 112.463 18.128 -5.416 890 HG3 GLU 6 HG1 GLU 6 113.226 17.444 -6.852 891 H LYS 7 HN LYS 7 113.418 15.248 -2.633 892 HA LYS 7 HA LYS 7 115.238 12.988 -2.293 893 HB2 LYS 7 HB2 LYS 7 112.842 13.851 -0.640 894 HB3 LYS 7 HB1 LYS 7 114.060 12.672 -0.151 895 HG2 LYS 7 HG2 LYS 7 115.758 14.309 0.007 896 HG3 LYS 7 HG1 LYS 7 114.848 15.474 -0.954 897 HD2 LYS 7 HD2 LYS 7 114.787 16.099 1.422 898 HD3 LYS 7 HD1 LYS 7 113.174 15.653 0.864 899 HE2 LYS 7 HE2 LYS 7 113.306 13.503 1.904 900 HE3 LYS 7 HE1 LYS 7 115.035 13.682 2.206 901 HZ1 LYS 7 HZ1 LYS 7 114.680 14.972 3.995 902 HZ2 LYS 7 HZ2 LYS 7 113.158 14.217 4.012 903 HZ3 LYS 7 HZ3 LYS 7 113.338 15.756 3.316 904 H ARG 8 HN ARG 8 113.313 11.223 -0.976 905 HA ARG 8 HA ARG 8 112.236 9.927 -3.408 906 HB2 ARG 8 HB2 ARG 8 111.911 8.830 -0.614 907 HB3 ARG 8 HB1 ARG 8 112.060 7.970 -2.141 908 HG2 ARG 8 HG2 ARG 8 114.287 9.548 -0.838 909 HG3 ARG 8 HG1 ARG 8 114.113 7.799 -0.747 910 HD2 ARG 8 HD2 ARG 8 114.039 7.857 -3.325 911 HD3 ARG 8 HD1 ARG 8 114.677 9.497 -3.172 912 HE ARG 8 HE ARG 8 116.182 7.067 -2.974 913 HH11 ARG 8 HH21 ARG 8 115.821 10.107 -1.376 914 HH12 ARG 8 HH22 ARG 8 117.324 9.978 -0.530 915 HH21 ARG 8 HH11 ARG 8 118.143 6.907 -1.901 916 HH22 ARG 8 HH12 ARG 8 118.639 8.175 -0.831 917 H VAL 9 HN VAL 9 110.020 8.644 -2.546 918 HA VAL 9 HA VAL 9 108.021 10.733 -2.519 919 HB VAL 9 HB VAL 9 108.028 7.733 -2.380 920 HG11 VAL 9 HG11 VAL 9 105.475 7.855 -2.258 921 HG12 VAL 9 HG12 VAL 9 105.682 9.505 -1.671 922 HG13 VAL 9 HG13 VAL 9 106.334 8.151 -0.746 923 HG21 VAL 9 HG21 VAL 9 106.593 9.735 -4.144 924 HG22 VAL 9 HG22 VAL 9 106.576 7.985 -4.358 925 HG23 VAL 9 HG23 VAL 9 108.081 8.883 -4.557 926 H ALA 10 HN ALA 10 106.416 10.956 -0.724 927 HA ALA 10 HA ALA 10 107.827 10.898 1.899 928 HB1 ALA 10 HB1 ALA 10 105.933 12.410 2.601 929 HB2 ALA 10 HB2 ALA 10 105.357 12.358 0.935 930 HB3 ALA 10 HB3 ALA 10 106.936 13.053 1.301 931 H SER 11 HN SER 11 107.097 9.738 3.641 932 HA SER 11 HA SER 11 104.439 8.406 3.499 933 HB2 SER 11 HB2 SER 11 105.991 6.741 2.606 934 HB3 SER 11 HB1 SER 11 107.073 6.970 3.970 935 HG SER 11 HG SER 11 104.999 5.342 3.780 936 H SER 12 HN SER 12 103.456 8.546 5.488 937 HA SER 12 HA SER 12 105.113 8.687 7.939 938 HB2 SER 12 HB2 SER 12 105.041 11.014 7.452 939 HB3 SER 12 HB1 SER 12 103.360 10.934 6.935 940 HG SER 12 HG SER 12 104.080 10.167 9.543 941 H VAL 13 HN VAL 13 104.143 7.469 9.442 942 HA VAL 13 HA VAL 13 101.343 7.589 10.075 943 HB VAL 13 HB VAL 13 101.189 6.296 7.949 944 HG11 VAL 13 HG11 VAL 13 102.235 4.156 7.707 945 HG12 VAL 13 HG12 VAL 13 102.752 4.150 9.393 946 HG13 VAL 13 HG13 VAL 13 103.494 5.267 8.248 947 HG21 VAL 13 HG21 VAL 13 100.639 4.315 10.150 948 HG22 VAL 13 HG22 VAL 13 99.639 4.751 8.767 949 HG23 VAL 13 HG23 VAL 13 99.767 5.850 10.139 950 H PHE 14 HN PHE 14 100.889 5.454 11.574 951 HA PHE 14 HA PHE 14 103.060 4.083 12.719 952 HB2 PHE 14 HB2 PHE 14 103.076 5.643 14.907 953 HB3 PHE 14 HB1 PHE 14 104.182 5.871 13.584 954 HD1 PHE 14 HD2 PHE 14 100.546 6.701 13.735 955 HD2 PHE 14 HD1 PHE 14 104.550 8.239 13.575 956 HE1 PHE 14 HE2 PHE 14 99.691 9.002 13.509 957 HE2 PHE 14 HE1 PHE 14 103.703 10.503 13.406 958 HZ PHE 14 HZ PHE 14 101.251 10.917 13.345 959 H ILE 15 HN ILE 15 102.554 3.980 15.380 960 HA ILE 15 HA ILE 15 99.645 3.461 15.742 961 HB ILE 15 HB ILE 15 100.215 1.267 15.174 962 HG12 ILE 15 HG12 ILE 15 101.240 1.218 18.024 963 HG13 ILE 15 HG11 ILE 15 99.524 1.390 17.637 964 HG21 ILE 15 HG21 ILE 15 102.950 1.880 16.314 965 HG22 ILE 15 HG22 ILE 15 102.523 1.624 14.622 966 HG23 ILE 15 HG23 ILE 15 102.467 0.277 15.759 967 HD11 ILE 15 HD11 ILE 15 99.659 -0.721 16.306 968 HD12 ILE 15 HD12 ILE 15 100.018 -0.966 18.015 969 HD13 ILE 15 HD13 ILE 15 101.330 -0.910 16.837 970 H THR 16 HN THR 16 99.130 3.229 18.081 971 HA THR 16 HA THR 16 101.235 4.342 19.907 972 HB THR 16 HB THR 16 99.813 6.212 19.393 973 HG1 THR 16 HG1 THR 16 99.663 4.959 21.817 974 HG21 THR 16 HG21 THR 16 97.956 4.932 18.399 975 HG22 THR 16 HG22 THR 16 97.359 6.075 19.602 976 HG23 THR 16 HG23 THR 16 97.489 4.362 20.001 977 H LEU 17 HN LEU 17 101.028 3.670 22.103 978 HA LEU 17 HA LEU 17 99.252 1.278 22.503 979 HB2 LEU 17 HB2 LEU 17 101.777 1.958 24.028 980 HB3 LEU 17 HB1 LEU 17 100.902 0.428 24.024 981 HG LEU 17 HG LEU 17 102.400 1.659 21.691 982 HD11 LEU 17 HD11 LEU 17 102.865 -1.006 23.042 983 HD12 LEU 17 HD12 LEU 17 103.660 0.468 23.594 984 HD13 LEU 17 HD13 LEU 17 103.946 -0.129 21.960 985 HD21 LEU 17 HD21 LEU 17 100.544 0.578 20.692 986 HD22 LEU 17 HD22 LEU 17 100.536 -0.714 21.892 987 HD23 LEU 17 HD23 LEU 17 101.802 -0.657 20.665 988 H ALA 18 HN ALA 18 97.944 1.221 24.315 989 HA ALA 18 HA ALA 18 98.237 3.203 26.449 990 HB1 ALA 18 HB1 ALA 18 95.811 3.229 24.639 991 HB2 ALA 18 HB2 ALA 18 97.034 4.496 24.744 992 HB3 ALA 18 HB3 ALA 18 95.983 4.167 26.122 993 HA PRO 19 HA PRO 19 96.566 -0.683 28.107 994 HB2 PRO 19 HB2 PRO 19 96.316 0.477 30.759 995 HB3 PRO 19 HB1 PRO 19 97.503 -0.706 30.195 996 HG2 PRO 19 HG2 PRO 19 97.953 2.086 30.774 997 HG3 PRO 19 HG1 PRO 19 99.130 0.904 30.182 998 HD2 PRO 19 HD2 PRO 19 97.912 3.084 28.710 999 HD3 PRO 19 HD1 PRO 19 99.112 1.908 28.126 1000 HA PRO 20 HA PRO 20 92.218 0.097 28.207 1001 HB2 PRO 20 HB2 PRO 20 91.448 -1.566 30.398 1002 HB3 PRO 20 HB1 PRO 20 91.514 -2.030 28.692 1003 HG2 PRO 20 HG2 PRO 20 93.366 -2.757 30.864 1004 HG3 PRO 20 HG1 PRO 20 93.215 -3.468 29.251 1005 HD2 PRO 20 HD2 PRO 20 95.308 -1.755 30.135 1006 HD3 PRO 20 HD1 PRO 20 94.978 -2.242 28.458 1007 H ARG 21 HN ARG 21 91.277 1.938 29.000 1008 HA ARG 21 HA ARG 21 90.857 3.739 30.461 1009 HB2 ARG 21 HB2 ARG 21 89.448 1.721 31.287 1010 HB3 ARG 21 HB1 ARG 21 90.623 1.611 32.595 1011 HG2 ARG 21 HG2 ARG 21 90.177 4.041 33.097 1012 HG3 ARG 21 HG1 ARG 21 88.878 3.993 31.908 1013 HD2 ARG 21 HD2 ARG 21 88.295 1.784 33.482 1014 HD3 ARG 21 HD1 ARG 21 88.928 2.922 34.668 1015 HE ARG 21 HE ARG 21 86.337 3.023 33.582 1016 HH11 ARG 21 HH21 ARG 21 89.068 5.119 33.857 1017 HH12 ARG 21 HH22 ARG 21 88.133 6.563 33.689 1018 HH21 ARG 21 HH11 ARG 21 85.115 4.894 33.378 1019 HH22 ARG 21 HH12 ARG 21 85.899 6.438 33.423 1020 H ARG 22 HN ARG 22 91.564 2.860 33.482 1021 HA ARG 22 HA ARG 22 94.434 3.739 33.341 1022 HB2 ARG 22 HB2 ARG 22 92.650 5.405 34.250 1023 HB3 ARG 22 HB1 ARG 22 92.578 4.340 35.651 1024 HG2 ARG 22 HG2 ARG 22 94.230 5.830 36.343 1025 HG3 ARG 22 HG1 ARG 22 95.226 4.590 35.588 1026 HD2 ARG 22 HD2 ARG 22 94.940 6.008 33.417 1027 HD3 ARG 22 HD1 ARG 22 94.456 7.297 34.518 1028 HE ARG 22 HE ARG 22 96.827 6.349 35.598 1029 HH11 ARG 22 HH21 ARG 22 95.742 7.507 32.537 1030 HH12 ARG 22 HH22 ARG 22 97.286 8.151 32.085 1031 HH21 ARG 22 HH11 ARG 22 98.847 7.180 35.027 1032 HH22 ARG 22 HH12 ARG 22 99.044 7.965 33.496 1033 H ASP 23 HN ASP 23 93.103 1.021 33.508 1034 HA ASP 23 HA ASP 23 93.489 -0.997 34.631 1035 HB2 ASP 23 HB2 ASP 23 95.681 0.421 36.153 1036 HB3 ASP 23 HB1 ASP 23 95.594 -1.275 35.682 1037 H VAL 24 HN VAL 24 92.723 -1.990 36.507 1038 HA VAL 24 HA VAL 24 91.344 -0.237 38.403 1039 HB VAL 24 HB VAL 24 90.687 -2.464 39.451 1040 HG11 VAL 24 HG11 VAL 24 90.152 -2.173 36.480 1041 HG12 VAL 24 HG12 VAL 24 89.330 -1.246 37.735 1042 HG13 VAL 24 HG13 VAL 24 89.129 -2.997 37.658 1043 HG21 VAL 24 HG21 VAL 24 92.752 -3.637 38.534 1044 HG22 VAL 24 HG22 VAL 24 91.974 -3.597 36.952 1045 HG23 VAL 24 HG23 VAL 24 91.231 -4.492 38.277 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 116.988 13.128 39.398 2 H2 GLY 1 HT2 GLY 1 116.315 13.932 40.734 3 H3 GLY 1 HT3 GLY 1 115.310 13.363 39.488 4 HA2 GLY 1 HA2 GLY 1 114.890 11.717 41.040 5 HA3 GLY 1 HA1 GLY 1 116.359 11.103 40.230 6 H ILE 2 HN ILE 2 115.844 10.111 42.612 7 HA ILE 2 HA ILE 2 118.729 9.972 43.132 8 HB ILE 2 HB ILE 2 116.864 10.455 45.476 9 HG12 ILE 2 HG12 ILE 2 117.945 12.813 45.487 10 HG13 ILE 2 HG11 ILE 2 118.295 12.526 43.793 11 HG21 ILE 2 HG21 ILE 2 118.863 10.766 46.703 12 HG22 ILE 2 HG22 ILE 2 119.824 11.013 45.245 13 HG23 ILE 2 HG23 ILE 2 119.216 9.405 45.638 14 HD11 ILE 2 HD11 ILE 2 115.812 13.340 45.025 15 HD12 ILE 2 HD12 ILE 2 115.554 11.836 44.146 16 HD13 ILE 2 HD13 ILE 2 116.207 13.246 43.313 17 HA PRO 3 HA PRO 3 115.648 6.272 43.573 18 HB2 PRO 3 HB2 PRO 3 117.136 4.894 41.523 19 HB3 PRO 3 HB1 PRO 3 115.456 5.444 41.447 20 HG2 PRO 3 HG2 PRO 3 117.832 6.632 40.180 21 HG3 PRO 3 HG1 PRO 3 116.121 6.971 39.867 22 HD2 PRO 3 HD2 PRO 3 117.894 8.707 41.196 23 HD3 PRO 3 HD1 PRO 3 116.118 8.792 41.249 24 H GLU 4 HN GLU 4 118.844 5.543 42.277 25 HA GLU 4 HA GLU 4 120.702 4.490 43.346 26 HB2 GLU 4 HB2 GLU 4 119.976 6.249 45.270 27 HB3 GLU 4 HB1 GLU 4 119.460 4.773 46.084 28 HG2 GLU 4 HG2 GLU 4 121.726 5.162 46.758 29 HG3 GLU 4 HG1 GLU 4 121.772 3.832 45.600 30 H PHE 5 HN PHE 5 117.549 3.894 43.379 31 HA PHE 5 HA PHE 5 117.591 1.107 44.362 32 HB2 PHE 5 HB2 PHE 5 115.588 3.340 44.014 33 HB3 PHE 5 HB1 PHE 5 114.999 1.708 43.619 34 HD1 PHE 5 HD1 PHE 5 115.114 -0.116 45.351 35 HD2 PHE 5 HD2 PHE 5 115.976 3.988 46.279 36 HE1 PHE 5 HE1 PHE 5 114.835 -0.604 47.767 37 HE2 PHE 5 HE2 PHE 5 115.696 3.501 48.695 38 HZ PHE 5 HZ PHE 5 115.126 1.205 49.439 39 H PHE 6 HN PHE 6 118.663 2.690 41.985 40 HA PHE 6 HA PHE 6 118.899 2.593 39.724 41 HB2 PHE 6 HB2 PHE 6 118.905 0.325 38.705 42 HB3 PHE 6 HB1 PHE 6 119.862 0.423 40.179 43 HD1 PHE 6 HD1 PHE 6 119.070 -0.603 42.278 44 HD2 PHE 6 HD2 PHE 6 116.864 -1.006 38.613 45 HE1 PHE 6 HE1 PHE 6 117.763 -2.464 43.267 46 HE2 PHE 6 HE2 PHE 6 115.554 -2.859 39.606 47 HZ PHE 6 HZ PHE 6 116.003 -3.590 41.931 48 H GLN 7 HN GLN 7 117.471 0.793 37.928 49 HA GLN 7 HA GLN 7 115.430 0.630 36.758 50 HB2 GLN 7 HB2 GLN 7 114.137 2.593 38.681 51 HB3 GLN 7 HB1 GLN 7 113.364 1.455 37.591 52 HG2 GLN 7 HG2 GLN 7 114.650 -0.360 39.023 53 HG3 GLN 7 HG1 GLN 7 114.687 0.918 40.232 54 HE21 GLN 7 HE21 GLN 7 112.602 1.711 41.071 55 HE22 GLN 7 HE22 GLN 7 111.193 0.780 40.895 56 H PHE 8 HN PHE 8 117.331 3.139 37.688 57 HA PHE 8 HA PHE 8 116.841 4.562 35.175 58 HB2 PHE 8 HB2 PHE 8 116.765 6.013 37.835 59 HB3 PHE 8 HB1 PHE 8 116.699 6.778 36.248 60 HD1 PHE 8 HD2 PHE 8 114.720 6.508 34.797 61 HD2 PHE 8 HD1 PHE 8 114.846 4.854 38.758 62 HE1 PHE 8 HE2 PHE 8 112.261 6.192 34.743 63 HE2 PHE 8 HE1 PHE 8 112.387 4.538 38.705 64 HZ PHE 8 HZ PHE 8 111.094 5.207 36.697 65 H THR 9 HN THR 9 118.648 4.173 38.120 66 HA THR 9 HA THR 9 121.096 5.288 36.846 67 HB THR 9 HB THR 9 120.780 4.077 39.612 68 HG1 THR 9 HG1 THR 9 120.920 6.709 39.705 69 HG21 THR 9 HG21 THR 9 122.834 5.864 38.294 70 HG22 THR 9 HG22 THR 9 123.083 4.273 39.012 71 HG23 THR 9 HG23 THR 9 122.737 5.660 40.042 72 H VAL 10 HN VAL 10 119.321 2.615 36.751 73 HA VAL 10 HA VAL 10 120.835 0.404 37.383 74 HB VAL 10 HB VAL 10 118.484 0.648 36.221 75 HG11 VAL 10 HG11 VAL 10 119.996 -0.232 33.780 76 HG12 VAL 10 HG12 VAL 10 119.755 1.491 34.077 77 HG13 VAL 10 HG13 VAL 10 118.364 0.422 33.907 78 HG21 VAL 10 HG21 VAL 10 119.253 -1.463 37.099 79 HG22 VAL 10 HG22 VAL 10 120.402 -1.658 35.775 80 HG23 VAL 10 HG23 VAL 10 118.669 -1.760 35.462 81 H GLY 11 HN GLY 11 121.382 2.666 34.749 82 HA2 GLY 11 HA2 GLY 11 124.094 2.236 34.458 83 HA3 GLY 11 HA1 GLY 11 123.397 0.997 33.428 84 HA PRO 12 HA PRO 12 123.047 3.968 30.149 85 HB2 PRO 12 HB2 PRO 12 120.536 3.250 29.084 86 HB3 PRO 12 HB1 PRO 12 122.077 2.474 28.689 87 HG2 PRO 12 HG2 PRO 12 119.905 1.519 30.487 88 HG3 PRO 12 HG1 PRO 12 121.097 0.582 29.578 89 HD2 PRO 12 HD2 PRO 12 121.211 1.022 32.321 90 HD3 PRO 12 HD1 PRO 12 122.609 0.598 31.316 91 H LEU 13 HN LEU 13 122.123 4.793 32.765 92 HA LEU 13 HA LEU 13 120.720 6.322 33.850 93 HB2 LEU 13 HB2 LEU 13 120.164 8.175 31.713 94 HB3 LEU 13 HB1 LEU 13 121.336 8.346 33.008 95 HG LEU 13 HG LEU 13 121.809 7.058 30.299 96 HD11 LEU 13 HD11 LEU 13 121.730 9.446 30.145 97 HD12 LEU 13 HD12 LEU 13 123.432 8.984 30.125 98 HD13 LEU 13 HD13 LEU 13 122.712 9.635 31.598 99 HD21 LEU 13 HD21 LEU 13 123.523 5.933 31.307 100 HD22 LEU 13 HD22 LEU 13 123.247 6.742 32.845 101 HD23 LEU 13 HD23 LEU 13 124.283 7.486 31.630 102 H GLY 14 HN GLY 14 119.464 4.078 32.440 103 HA2 GLY 14 HA2 GLY 14 117.242 3.341 32.167 104 HA3 GLY 14 HA1 GLY 14 116.703 4.953 32.647 105 H GLU 15 HN GLU 15 118.094 6.483 30.757 106 HA GLU 15 HA GLU 15 117.664 7.360 28.617 107 HB2 GLU 15 HB2 GLU 15 119.183 5.291 28.277 108 HB3 GLU 15 HB1 GLU 15 117.719 4.478 27.719 109 HG2 GLU 15 HG2 GLU 15 118.736 5.353 25.747 110 HG3 GLU 15 HG1 GLU 15 117.430 6.477 26.114 111 H GLY 16 HN GLY 16 115.446 6.001 30.347 112 HA2 GLY 16 HA2 GLY 16 113.118 5.940 30.202 113 HA3 GLY 16 HA1 GLY 16 113.250 6.656 28.594 114 H GLY 17 HN GLY 17 111.590 5.161 27.855 115 HA2 GLY 17 HA2 GLY 17 111.904 2.308 28.045 116 HA3 GLY 17 HA1 GLY 17 110.831 3.144 26.921 117 H ALA 18 HN ALA 18 113.439 4.672 26.102 118 HA ALA 18 HA ALA 18 113.931 3.507 23.662 119 HB1 ALA 18 HB1 ALA 18 115.051 5.598 25.042 120 HB2 ALA 18 HB2 ALA 18 115.647 5.027 23.486 121 HB3 ALA 18 HB3 ALA 18 116.414 4.485 24.978 122 H HIS 19 HN HIS 19 114.768 2.213 26.723 123 HA HIS 19 HA HIS 19 116.748 0.327 25.546 124 HB2 HIS 19 HB2 HIS 19 117.452 1.387 27.599 125 HB3 HIS 19 HB1 HIS 19 115.939 0.958 28.396 126 HD1 HIS 19 HD1 HIS 19 116.459 -0.850 30.039 127 HD2 HIS 19 HD2 HIS 19 118.500 -1.416 26.448 128 HE1 HIS 19 HE1 HIS 19 117.693 -3.051 30.256 129 H LYS 20 HN LYS 20 113.811 0.187 27.629 130 HA LYS 20 HA LYS 20 113.561 -2.660 27.433 131 HB2 LYS 20 HB2 LYS 20 111.376 -2.391 28.403 132 HB3 LYS 20 HB1 LYS 20 112.439 -1.207 29.153 133 HG2 LYS 20 HG2 LYS 20 110.778 0.285 28.635 134 HG3 LYS 20 HG1 LYS 20 111.485 0.255 27.025 135 HD2 LYS 20 HD2 LYS 20 109.902 -1.766 26.597 136 HD3 LYS 20 HD1 LYS 20 109.055 -1.221 28.043 137 HE2 LYS 20 HE2 LYS 20 109.034 1.110 26.907 138 HE3 LYS 20 HE1 LYS 20 109.425 0.235 25.427 139 HZ1 LYS 20 HZ1 LYS 20 107.134 0.261 25.415 140 HZ2 LYS 20 HZ2 LYS 20 107.005 0.067 27.098 141 HZ3 LYS 20 HZ3 LYS 20 107.455 -1.247 26.120 142 H VAL 21 HN VAL 21 112.865 -0.163 25.175 143 HA VAL 21 HA VAL 21 110.811 -1.598 23.706 144 HB VAL 21 HB VAL 21 111.283 0.914 23.598 145 HG11 VAL 21 HG11 VAL 21 113.339 0.228 21.507 146 HG12 VAL 21 HG12 VAL 21 113.823 0.395 23.195 147 HG13 VAL 21 HG13 VAL 21 113.079 1.753 22.353 148 HG21 VAL 21 HG21 VAL 21 109.744 0.084 22.013 149 HG22 VAL 21 HG22 VAL 21 110.980 -0.831 21.151 150 HG23 VAL 21 HG23 VAL 21 110.935 0.928 21.025 151 H ARG 22 HN ARG 22 111.217 -3.490 22.734 152 HA ARG 22 HA ARG 22 113.946 -4.000 21.609 153 HB2 ARG 22 HB2 ARG 22 113.272 -5.581 23.340 154 HB3 ARG 22 HB1 ARG 22 111.757 -5.888 22.500 155 HG2 ARG 22 HG2 ARG 22 113.486 -7.666 22.102 156 HG3 ARG 22 HG1 ARG 22 112.940 -6.897 20.618 157 HD2 ARG 22 HD2 ARG 22 115.502 -7.247 20.992 158 HD3 ARG 22 HD1 ARG 22 114.944 -5.704 20.352 159 HE ARG 22 HE ARG 22 114.982 -5.294 23.087 160 HH11 ARG 22 HH21 ARG 22 117.183 -6.460 20.707 161 HH12 ARG 22 HH22 ARG 22 118.591 -5.883 21.535 162 HH21 ARG 22 HH11 ARG 22 116.805 -4.535 24.184 163 HH22 ARG 22 HH12 ARG 22 118.377 -4.793 23.504 164 H ALA 23 HN ALA 23 114.161 -4.358 19.458 165 HA ALA 23 HA ALA 23 111.762 -5.007 17.817 166 HB1 ALA 23 HB1 ALA 23 112.480 -3.280 16.143 167 HB2 ALA 23 HB2 ALA 23 113.659 -2.689 17.313 168 HB3 ALA 23 HB3 ALA 23 111.935 -2.575 17.665 169 H GLY 24 HN GLY 24 112.392 -6.883 16.848 170 HA2 GLY 24 HA2 GLY 24 114.984 -6.949 15.415 171 HA3 GLY 24 HA1 GLY 24 114.752 -8.158 16.678 172 H GLY 25 HN GLY 25 114.736 -8.030 13.502 173 HA2 GLY 25 HA2 GLY 25 113.158 -10.370 13.134 174 HA3 GLY 25 HA1 GLY 25 112.200 -8.979 12.641 175 H THR 26 HN THR 26 112.615 -10.557 10.613 176 HA THR 26 HA THR 26 115.136 -10.169 9.237 177 HB THR 26 HB THR 26 112.527 -11.015 7.978 178 HG1 THR 26 HG1 THR 26 112.638 -12.431 9.577 179 HG21 THR 26 HG21 THR 26 115.387 -11.852 7.441 180 HG22 THR 26 HG22 THR 26 114.545 -10.587 6.547 181 HG23 THR 26 HG23 THR 26 113.967 -12.252 6.475 182 H GLY 27 HN GLY 27 112.203 -8.369 9.533 183 HA2 GLY 27 HA2 GLY 27 112.383 -6.941 7.022 184 HA3 GLY 27 HA1 GLY 27 111.437 -6.437 8.425 185 H LEU 28 HN LEU 28 113.908 -6.686 10.123 186 HA LEU 28 HA LEU 28 114.861 -3.943 9.709 187 HB2 LEU 28 HB2 LEU 28 115.507 -6.103 11.731 188 HB3 LEU 28 HB1 LEU 28 116.293 -4.528 11.736 189 HG LEU 28 HG LEU 28 113.279 -4.732 11.732 190 HD11 LEU 28 HD11 LEU 28 115.166 -5.039 14.068 191 HD12 LEU 28 HD12 LEU 28 113.779 -6.039 13.636 192 HD13 LEU 28 HD13 LEU 28 113.529 -4.418 14.284 193 HD21 LEU 28 HD21 LEU 28 114.108 -2.509 11.339 194 HD22 LEU 28 HD22 LEU 28 115.305 -2.654 12.625 195 HD23 LEU 28 HD23 LEU 28 113.593 -2.554 13.021 196 H GLU 29 HN GLU 29 115.718 -7.016 8.613 197 HA GLU 29 HA GLU 29 118.601 -6.508 8.411 198 HB2 GLU 29 HB2 GLU 29 116.863 -8.710 7.266 199 HB3 GLU 29 HB1 GLU 29 118.628 -8.689 7.245 200 HG2 GLU 29 HG2 GLU 29 117.124 -8.381 9.849 201 HG3 GLU 29 HG1 GLU 29 117.428 -9.975 9.175 202 H ARG 30 HN ARG 30 115.866 -6.834 6.120 203 HA ARG 30 HA ARG 30 116.822 -4.735 4.412 204 HB2 ARG 30 HB2 ARG 30 117.435 -6.187 2.447 205 HB3 ARG 30 HB1 ARG 30 118.584 -6.281 3.781 206 HG2 ARG 30 HG2 ARG 30 117.395 -8.331 4.593 207 HG3 ARG 30 HG1 ARG 30 116.381 -8.266 3.151 208 HD2 ARG 30 HD2 ARG 30 118.201 -9.805 2.720 209 HD3 ARG 30 HD1 ARG 30 118.474 -8.350 1.760 210 HE ARG 30 HE ARG 30 119.865 -7.854 4.098 211 HH11 ARG 30 HH21 ARG 30 119.722 -10.394 1.772 212 HH12 ARG 30 HH22 ARG 30 121.380 -10.855 1.977 213 HH21 ARG 30 HH11 ARG 30 122.030 -8.440 4.378 214 HH22 ARG 30 HH12 ARG 30 122.686 -9.748 3.452 215 H GLY 31 HN GLY 31 115.591 -4.890 2.189 216 HA2 GLY 31 HA2 GLY 31 113.020 -6.383 2.477 217 HA3 GLY 31 HA1 GLY 31 112.979 -4.639 2.197 218 H VAL 32 HN VAL 32 111.804 -6.194 0.282 219 HA VAL 32 HA VAL 32 113.737 -5.959 -1.989 220 HB VAL 32 HB VAL 32 111.968 -8.289 -1.269 221 HG11 VAL 32 HG11 VAL 32 113.123 -7.557 -3.963 222 HG12 VAL 32 HG12 VAL 32 111.455 -7.967 -3.578 223 HG13 VAL 32 HG13 VAL 32 112.699 -9.215 -3.543 224 HG21 VAL 32 HG21 VAL 32 114.826 -8.341 -2.223 225 HG22 VAL 32 HG22 VAL 32 113.954 -9.557 -1.296 226 HG23 VAL 32 HG23 VAL 32 114.433 -8.044 -0.530 227 H ALA 33 HN ALA 33 112.823 -5.386 -3.967 228 HA ALA 33 HA ALA 33 110.881 -3.478 -4.119 229 HB1 ALA 33 HB1 ALA 33 111.017 -3.711 -6.406 230 HB2 ALA 33 HB2 ALA 33 110.775 -5.459 -6.353 231 HB3 ALA 33 HB3 ALA 33 112.347 -4.778 -5.967 232 H GLY 34 HN GLY 34 108.887 -3.441 -3.321 233 HA2 GLY 34 HA2 GLY 34 106.646 -3.970 -2.976 234 HA3 GLY 34 HA1 GLY 34 106.780 -5.022 -4.378 235 H VAL 35 HN VAL 35 108.512 -5.316 -1.269 236 HA VAL 35 HA VAL 35 107.032 -7.872 -0.797 237 HB VAL 35 HB VAL 35 109.983 -7.315 -0.534 238 HG11 VAL 35 HG11 VAL 35 109.442 -8.491 1.477 239 HG12 VAL 35 HG12 VAL 35 110.038 -9.715 0.357 240 HG13 VAL 35 HG13 VAL 35 108.305 -9.545 0.636 241 HG21 VAL 35 HG21 VAL 35 108.311 -9.347 -2.050 242 HG22 VAL 35 HG22 VAL 35 110.067 -9.408 -1.947 243 HG23 VAL 35 HG23 VAL 35 109.278 -8.046 -2.742 244 HA PRO 36 HA PRO 36 106.214 -5.486 2.967 245 HB2 PRO 36 HB2 PRO 36 105.132 -7.817 4.309 246 HB3 PRO 36 HB1 PRO 36 104.249 -6.435 3.644 247 HG2 PRO 36 HG2 PRO 36 104.385 -9.117 2.572 248 HG3 PRO 36 HG1 PRO 36 103.501 -7.732 1.914 249 HD2 PRO 36 HD2 PRO 36 105.911 -8.943 0.872 250 HD3 PRO 36 HD1 PRO 36 105.026 -7.543 0.222 251 H ALA 37 HN ALA 37 108.029 -5.073 4.154 252 HA ALA 37 HA ALA 37 109.775 -7.283 5.047 253 HB1 ALA 37 HB1 ALA 37 109.933 -4.270 5.137 254 HB2 ALA 37 HB2 ALA 37 111.020 -5.404 4.336 255 HB3 ALA 37 HB3 ALA 37 111.040 -5.258 6.093 256 H GLU 38 HN GLU 38 108.424 -8.335 6.586 257 HA GLU 38 HA GLU 38 107.277 -6.773 8.780 258 HB2 GLU 38 HB2 GLU 38 105.898 -8.566 9.098 259 HB3 GLU 38 HB1 GLU 38 106.493 -9.076 7.524 260 HG2 GLU 38 HG2 GLU 38 108.347 -10.305 8.748 261 HG3 GLU 38 HG1 GLU 38 107.476 -9.952 10.247 262 H PHE 39 HN PHE 39 107.833 -6.934 10.943 263 HA PHE 39 HA PHE 39 110.091 -8.576 11.780 264 HB2 PHE 39 HB2 PHE 39 111.492 -6.763 12.582 265 HB3 PHE 39 HB1 PHE 39 111.214 -6.536 10.861 266 HD1 PHE 39 HD2 PHE 39 109.005 -5.113 10.319 267 HD2 PHE 39 HD1 PHE 39 111.262 -4.889 13.957 268 HE1 PHE 39 HE2 PHE 39 108.113 -2.836 10.726 269 HE2 PHE 39 HE1 PHE 39 110.381 -2.611 14.366 270 HZ PHE 39 HZ PHE 39 108.804 -1.583 12.751 271 H SER 40 HN SER 40 110.272 -8.491 14.158 272 HA SER 40 HA SER 40 107.585 -8.036 15.338 273 HB2 SER 40 HB2 SER 40 108.292 -10.214 15.799 274 HB3 SER 40 HB1 SER 40 109.963 -9.723 16.060 275 HG SER 40 HG SER 40 108.717 -10.202 17.997 276 H ILE 41 HN ILE 41 107.336 -7.076 17.415 277 HA ILE 41 HA ILE 41 109.576 -5.516 18.557 278 HB ILE 41 HB ILE 41 106.959 -4.152 17.864 279 HG12 ILE 41 HG12 ILE 41 109.597 -4.121 16.365 280 HG13 ILE 41 HG11 ILE 41 108.040 -4.675 15.751 281 HG21 ILE 41 HG21 ILE 41 109.652 -2.953 18.543 282 HG22 ILE 41 HG22 ILE 41 108.454 -3.345 19.776 283 HG23 ILE 41 HG23 ILE 41 108.081 -2.152 18.531 284 HD11 ILE 41 HD11 ILE 41 109.032 -1.890 16.164 285 HD12 ILE 41 HD12 ILE 41 107.318 -2.177 16.471 286 HD13 ILE 41 HD13 ILE 41 108.002 -2.535 14.892 287 H TRP 42 HN TRP 42 109.443 -6.059 20.711 288 HA TRP 42 HA TRP 42 106.699 -6.314 21.925 289 HB2 TRP 42 HB2 TRP 42 107.372 -8.168 23.196 290 HB3 TRP 42 HB1 TRP 42 108.127 -8.470 21.636 291 HD1 TRP 42 HD1 TRP 42 110.656 -8.824 21.622 292 HE1 TRP 42 HE1 TRP 42 112.550 -8.557 23.351 293 HE3 TRP 42 HE3 TRP 42 108.085 -6.563 25.407 294 HZ2 TRP 42 HZ2 TRP 42 112.927 -7.517 25.988 295 HZ3 TRP 42 HZ3 TRP 42 109.233 -5.945 27.516 296 HH2 TRP 42 HH2 TRP 42 111.649 -6.419 27.811 297 H THR 43 HN THR 43 106.328 -4.951 23.592 298 HA THR 43 HA THR 43 108.597 -3.943 25.213 299 HB THR 43 HB THR 43 108.434 -1.722 24.599 300 HG1 THR 43 HG1 THR 43 106.279 -1.086 23.555 301 HG21 THR 43 HG21 THR 43 108.929 -2.934 22.500 302 HG22 THR 43 HG22 THR 43 108.014 -1.460 22.195 303 HG23 THR 43 HG23 THR 43 107.202 -3.020 22.149 304 H ARG 44 HN ARG 44 107.958 -3.399 27.300 305 HA ARG 44 HA ARG 44 105.309 -2.718 28.099 306 HB2 ARG 44 HB2 ARG 44 104.831 -4.928 29.331 307 HB3 ARG 44 HB1 ARG 44 104.568 -4.920 27.589 308 HG2 ARG 44 HG2 ARG 44 106.741 -5.961 27.215 309 HG3 ARG 44 HG1 ARG 44 107.107 -5.882 28.938 310 HD2 ARG 44 HD2 ARG 44 104.831 -7.444 27.682 311 HD3 ARG 44 HD1 ARG 44 106.322 -8.133 28.326 312 HE ARG 44 HE ARG 44 105.292 -6.705 30.460 313 HH11 ARG 44 HH21 ARG 44 104.128 -9.099 28.267 314 HH12 ARG 44 HH22 ARG 44 103.035 -9.804 29.410 315 HH21 ARG 44 HH11 ARG 44 103.871 -7.613 31.964 316 HH22 ARG 44 HH12 ARG 44 102.889 -8.963 31.503 317 H GLU 45 HN GLU 45 107.223 -1.368 29.010 318 HA GLU 45 HA GLU 45 107.629 -2.223 31.804 319 HB2 GLU 45 HB2 GLU 45 109.569 -3.129 30.381 320 HB3 GLU 45 HB1 GLU 45 110.045 -1.446 30.158 321 HG2 GLU 45 HG2 GLU 45 110.250 -1.139 32.567 322 HG3 GLU 45 HG1 GLU 45 109.652 -2.773 32.855 323 H ALA 46 HN ALA 46 108.618 0.214 29.363 324 HA ALA 46 HA ALA 46 108.952 2.350 31.221 325 HB1 ALA 46 HB1 ALA 46 108.014 2.640 28.358 326 HB2 ALA 46 HB2 ALA 46 109.692 2.334 28.798 327 HB3 ALA 46 HB3 ALA 46 108.905 3.820 29.320 328 H GLY 47 HN GLY 47 106.196 1.693 29.046 329 HA2 GLY 47 HA2 GLY 47 103.958 1.713 30.392 330 HA3 GLY 47 HA1 GLY 47 104.460 3.349 30.829 331 H ALA 48 HN ALA 48 102.195 3.535 29.587 332 HA ALA 48 HA ALA 48 102.034 3.282 26.783 333 HB1 ALA 48 HB1 ALA 48 100.206 4.794 26.870 334 HB2 ALA 48 HB2 ALA 48 100.861 5.634 28.276 335 HB3 ALA 48 HB3 ALA 48 100.205 4.007 28.447 336 H GLY 49 HN GLY 49 102.697 4.588 25.066 337 HA2 GLY 49 HA2 GLY 49 103.934 7.199 25.558 338 HA3 GLY 49 HA1 GLY 49 105.077 5.947 25.068 339 H GLY 50 HN GLY 50 104.980 7.925 23.321 340 HA2 GLY 50 HA2 GLY 50 103.044 7.129 21.166 341 HA3 GLY 50 HA1 GLY 50 103.803 8.715 21.299 342 H LEU 51 HN LEU 51 103.990 5.764 19.723 343 HA LEU 51 HA LEU 51 106.930 5.921 19.271 344 HB2 LEU 51 HB2 LEU 51 105.746 3.702 19.648 345 HB3 LEU 51 HB1 LEU 51 104.940 3.960 18.103 346 HG LEU 51 HG LEU 51 107.389 4.322 17.186 347 HD11 LEU 51 HD11 LEU 51 107.859 2.748 19.739 348 HD12 LEU 51 HD12 LEU 51 108.581 4.295 19.299 349 HD13 LEU 51 HD13 LEU 51 109.012 2.838 18.409 350 HD21 LEU 51 HD21 LEU 51 106.309 1.598 17.983 351 HD22 LEU 51 HD22 LEU 51 107.576 1.867 16.785 352 HD23 LEU 51 HD23 LEU 51 105.945 2.471 16.494 353 H SER 52 HN SER 52 107.179 7.741 17.973 354 HA SER 52 HA SER 52 105.466 8.150 15.625 355 HB2 SER 52 HB2 SER 52 106.564 10.217 15.381 356 HB3 SER 52 HB1 SER 52 106.539 9.976 17.126 357 HG SER 52 HG SER 52 108.638 9.687 17.117 358 H ILE 53 HN ILE 53 106.116 7.716 13.453 359 HA ILE 53 HA ILE 53 108.864 6.579 13.110 360 HB ILE 53 HB ILE 53 106.299 5.423 11.984 361 HG12 ILE 53 HG12 ILE 53 108.263 4.182 13.930 362 HG13 ILE 53 HG11 ILE 53 106.789 5.001 14.444 363 HG21 ILE 53 HG21 ILE 53 108.006 5.092 10.365 364 HG22 ILE 53 HG22 ILE 53 107.948 3.585 11.278 365 HG23 ILE 53 HG23 ILE 53 109.221 4.763 11.599 366 HD11 ILE 53 HD11 ILE 53 105.408 3.433 13.239 367 HD12 ILE 53 HD12 ILE 53 106.549 2.501 14.207 368 HD13 ILE 53 HD13 ILE 53 106.819 2.700 12.476 369 H ALA 54 HN ALA 54 109.839 7.927 11.688 370 HA ALA 54 HA ALA 54 108.216 9.187 9.512 371 HB1 ALA 54 HB1 ALA 54 109.868 10.894 9.414 372 HB2 ALA 54 HB2 ALA 54 111.034 9.931 10.321 373 HB3 ALA 54 HB3 ALA 54 109.622 10.605 11.136 374 H VAL 55 HN VAL 55 108.285 7.882 7.749 375 HA VAL 55 HA VAL 55 110.812 6.450 7.079 376 HB VAL 55 HB VAL 55 109.092 5.528 5.228 377 HG11 VAL 55 HG11 VAL 55 110.192 4.113 6.889 378 HG12 VAL 55 HG12 VAL 55 108.473 3.721 6.840 379 HG13 VAL 55 HG13 VAL 55 109.115 4.709 8.153 380 HG21 VAL 55 HG21 VAL 55 107.358 7.205 6.155 381 HG22 VAL 55 HG22 VAL 55 107.225 6.116 7.535 382 HG23 VAL 55 HG23 VAL 55 106.823 5.542 5.917 383 H GLU 56 HN GLU 56 111.885 6.838 5.172 384 HA GLU 56 HA GLU 56 110.763 8.811 3.253 385 HB2 GLU 56 HB2 GLU 56 112.030 10.318 4.539 386 HB3 GLU 56 HB1 GLU 56 113.287 9.136 4.874 387 HG2 GLU 56 HG2 GLU 56 114.203 9.334 2.690 388 HG3 GLU 56 HG1 GLU 56 112.766 10.122 2.071 389 H GLY 57 HN GLY 57 111.502 8.423 1.130 390 HA2 GLY 57 HA2 GLY 57 113.738 7.051 0.251 391 HA3 GLY 57 HA1 GLY 57 112.601 5.769 0.669 392 HA PRO 58 HA PRO 58 111.890 7.221 -3.724 393 HB2 PRO 58 HB2 PRO 58 111.732 4.399 -4.465 394 HB3 PRO 58 HB1 PRO 58 112.891 5.637 -4.972 395 HG2 PRO 58 HG2 PRO 58 113.402 3.451 -3.203 396 HG3 PRO 58 HG1 PRO 58 114.503 4.787 -3.575 397 HD2 PRO 58 HD2 PRO 58 112.953 4.330 -1.125 398 HD3 PRO 58 HD1 PRO 58 114.240 5.517 -1.417 399 H SER 59 HN SER 59 110.330 4.805 -1.684 400 HA SER 59 HA SER 59 107.709 5.573 -2.936 401 HB2 SER 59 HB2 SER 59 108.882 3.106 -3.272 402 HB3 SER 59 HB1 SER 59 107.824 2.812 -1.896 403 HG SER 59 HG SER 59 106.387 4.238 -3.480 404 H LYS 60 HN LYS 60 105.861 4.729 -1.421 405 HA LYS 60 HA LYS 60 106.463 5.811 1.272 406 HB2 LYS 60 HB2 LYS 60 103.771 4.951 0.192 407 HB3 LYS 60 HB1 LYS 60 104.100 6.058 1.526 408 HG2 LYS 60 HG2 LYS 60 105.200 7.612 -0.096 409 HG3 LYS 60 HG1 LYS 60 104.712 6.534 -1.405 410 HD2 LYS 60 HD2 LYS 60 102.332 6.808 -0.676 411 HD3 LYS 60 HD1 LYS 60 102.873 7.998 0.508 412 HE2 LYS 60 HE2 LYS 60 102.199 9.270 -1.388 413 HE3 LYS 60 HE1 LYS 60 103.960 9.234 -1.458 414 HZ1 LYS 60 HZ1 LYS 60 102.014 8.016 -3.219 415 HZ2 LYS 60 HZ2 LYS 60 103.325 7.016 -2.809 416 HZ3 LYS 60 HZ3 LYS 60 103.600 8.525 -3.539 417 H ALA 61 HN ALA 61 106.938 4.416 2.881 418 HA ALA 61 HA ALA 61 106.425 1.549 2.569 419 HB1 ALA 61 HB1 ALA 61 108.198 1.412 3.997 420 HB2 ALA 61 HB2 ALA 61 107.313 2.294 5.242 421 HB3 ALA 61 HB3 ALA 61 108.247 3.171 4.034 422 H GLU 62 HN GLU 62 104.323 0.898 2.889 423 HA GLU 62 HA GLU 62 102.597 2.340 4.787 424 HB2 GLU 62 HB2 GLU 62 101.885 -0.247 3.403 425 HB3 GLU 62 HB1 GLU 62 100.813 1.042 3.945 426 HG2 GLU 62 HG2 GLU 62 101.835 2.567 2.265 427 HG3 GLU 62 HG1 GLU 62 102.819 1.226 1.680 428 H ILE 63 HN ILE 63 103.143 1.963 6.874 429 HA ILE 63 HA ILE 63 104.237 -0.405 7.981 430 HB ILE 63 HB ILE 63 102.407 1.440 9.528 431 HG12 ILE 63 HG12 ILE 63 103.757 2.962 8.234 432 HG13 ILE 63 HG11 ILE 63 104.462 2.886 9.845 433 HG21 ILE 63 HG21 ILE 63 103.497 -0.579 10.586 434 HG22 ILE 63 HG22 ILE 63 103.906 0.958 11.347 435 HG23 ILE 63 HG23 ILE 63 105.058 0.177 10.264 436 HD11 ILE 63 HD11 ILE 63 106.010 1.066 8.926 437 HD12 ILE 63 HD12 ILE 63 106.302 2.706 8.345 438 HD13 ILE 63 HD13 ILE 63 105.451 1.547 7.323 439 H ALA 64 HN ALA 64 103.153 -2.046 9.367 440 HA ALA 64 HA ALA 64 100.209 -2.305 8.926 441 HB1 ALA 64 HB1 ALA 64 101.990 -4.716 8.609 442 HB2 ALA 64 HB2 ALA 64 101.681 -3.658 7.233 443 HB3 ALA 64 HB3 ALA 64 100.340 -4.472 8.038 444 H PHE 65 HN PHE 65 99.438 -4.285 10.332 445 HA PHE 65 HA PHE 65 101.058 -4.513 12.833 446 HB2 PHE 65 HB2 PHE 65 98.911 -4.171 14.133 447 HB3 PHE 65 HB1 PHE 65 99.528 -2.723 13.337 448 HD1 PHE 65 HD1 PHE 65 98.555 -2.037 11.098 449 HD2 PHE 65 HD2 PHE 65 96.778 -5.067 13.571 450 HE1 PHE 65 HE1 PHE 65 96.427 -1.813 9.844 451 HE2 PHE 65 HE2 PHE 65 94.650 -4.842 12.318 452 HZ PHE 65 HZ PHE 65 94.474 -3.215 10.455 453 H GLU 66 HN GLU 66 101.303 -6.659 13.153 454 HA GLU 66 HA GLU 66 98.938 -8.449 12.832 455 HB2 GLU 66 HB2 GLU 66 100.174 -8.685 10.739 456 HB3 GLU 66 HB1 GLU 66 101.680 -8.932 11.624 457 HG2 GLU 66 HG2 GLU 66 100.917 -11.023 12.519 458 HG3 GLU 66 HG1 GLU 66 99.268 -10.730 11.962 459 H ASP 67 HN ASP 67 98.711 -9.292 14.849 460 HA ASP 67 HA ASP 67 100.945 -9.489 16.701 461 HB2 ASP 67 HB2 ASP 67 99.256 -10.707 18.133 462 HB3 ASP 67 HB1 ASP 67 98.737 -9.104 17.610 463 H ARG 68 HN ARG 68 102.160 -11.306 17.193 464 HA ARG 68 HA ARG 68 101.597 -13.796 15.614 465 HB2 ARG 68 HB2 ARG 68 103.653 -12.555 14.906 466 HB3 ARG 68 HB1 ARG 68 104.289 -12.763 16.538 467 HG2 ARG 68 HG2 ARG 68 104.191 -15.196 16.301 468 HG3 ARG 68 HG1 ARG 68 103.469 -15.031 14.700 469 HD2 ARG 68 HD2 ARG 68 105.524 -13.746 13.996 470 HD3 ARG 68 HD1 ARG 68 106.248 -14.170 15.548 471 HE ARG 68 HE ARG 68 105.454 -16.609 14.506 472 HH11 ARG 68 HH21 ARG 68 107.323 -13.920 13.428 473 HH12 ARG 68 HH22 ARG 68 108.362 -14.874 12.423 474 HH21 ARG 68 HH11 ARG 68 106.801 -17.871 13.200 475 HH22 ARG 68 HH12 ARG 68 108.066 -17.111 12.295 476 H LYS 69 HN LYS 69 103.085 -12.563 18.585 477 HA LYS 69 HA LYS 69 102.428 -15.168 19.930 478 HB2 LYS 69 HB2 LYS 69 104.479 -13.181 20.931 479 HB3 LYS 69 HB1 LYS 69 104.338 -14.905 21.291 480 HG2 LYS 69 HG2 LYS 69 104.877 -15.403 18.897 481 HG3 LYS 69 HG1 LYS 69 105.156 -13.680 18.642 482 HD2 LYS 69 HD2 LYS 69 107.001 -13.653 20.158 483 HD3 LYS 69 HD1 LYS 69 106.601 -15.254 20.781 484 HE2 LYS 69 HE2 LYS 69 107.419 -14.702 17.915 485 HE3 LYS 69 HE1 LYS 69 108.521 -15.274 19.168 486 HZ1 LYS 69 HZ1 LYS 69 107.857 -17.249 18.300 487 HZ2 LYS 69 HZ2 LYS 69 106.328 -16.676 17.833 488 HZ3 LYS 69 HZ3 LYS 69 106.635 -17.058 19.460 489 H ASP 70 HN ASP 70 101.234 -12.205 19.521 490 HA ASP 70 HA ASP 70 99.685 -10.955 20.766 491 HB2 ASP 70 HB2 ASP 70 99.272 -13.420 21.720 492 HB3 ASP 70 HB1 ASP 70 100.008 -12.742 23.166 493 H GLY 71 HN GLY 71 102.516 -12.180 22.514 494 HA2 GLY 71 HA2 GLY 71 102.695 -9.697 24.101 495 HA3 GLY 71 HA1 GLY 71 103.724 -11.116 24.278 496 H SER 72 HN SER 72 103.077 -9.749 21.136 497 HA SER 72 HA SER 72 105.561 -8.186 21.081 498 HB2 SER 72 HB2 SER 72 106.303 -10.555 20.703 499 HB3 SER 72 HB1 SER 72 105.258 -10.614 19.287 500 HG SER 72 HG SER 72 106.466 -8.941 18.386 501 H CYS 73 HN CYS 73 104.982 -6.412 19.930 502 HA CYS 73 HA CYS 73 102.640 -6.447 18.194 503 HB2 CYS 73 HB2 CYS 73 104.690 -4.235 18.451 504 HB3 CYS 73 HB1 CYS 73 103.005 -4.090 17.951 505 HG CYS 73 HG CYS 73 102.288 -4.674 20.412 506 H GLY 74 HN GLY 74 102.816 -7.383 16.214 507 HA2 GLY 74 HA2 GLY 74 105.383 -7.437 14.787 508 HA3 GLY 74 HA1 GLY 74 103.877 -8.171 14.239 509 H VAL 75 HN VAL 75 105.998 -5.687 13.664 510 HA VAL 75 HA VAL 75 103.906 -4.002 12.286 511 HB VAL 75 HB VAL 75 106.695 -3.129 13.058 512 HG11 VAL 75 HG11 VAL 75 104.197 -1.486 12.625 513 HG12 VAL 75 HG12 VAL 75 105.288 -1.907 11.304 514 HG13 VAL 75 HG13 VAL 75 105.870 -0.931 12.652 515 HG21 VAL 75 HG21 VAL 75 105.483 -1.949 14.971 516 HG22 VAL 75 HG22 VAL 75 105.665 -3.694 15.146 517 HG23 VAL 75 HG23 VAL 75 104.117 -3.016 14.641 518 H SER 76 HN SER 76 104.074 -3.827 10.100 519 HA SER 76 HA SER 76 106.640 -4.650 8.799 520 HB2 SER 76 HB2 SER 76 104.839 -6.510 8.856 521 HB3 SER 76 HB1 SER 76 103.967 -5.516 7.698 522 HG SER 76 HG SER 76 105.854 -5.571 6.385 523 H TYR 77 HN TYR 77 107.170 -3.482 7.021 524 HA TYR 77 HA TYR 77 105.204 -1.408 6.089 525 HB2 TYR 77 HB2 TYR 77 107.232 -0.022 5.562 526 HB3 TYR 77 HB1 TYR 77 106.986 -0.294 7.283 527 HD1 TYR 77 HD2 TYR 77 108.216 -2.334 8.342 528 HD2 TYR 77 HD1 TYR 77 109.294 -0.574 4.576 529 HE1 TYR 77 HE2 TYR 77 110.474 -3.344 8.514 530 HE2 TYR 77 HE1 TYR 77 111.550 -1.582 4.748 531 HH TYR 77 HH TYR 77 112.671 -3.390 5.863 532 H VAL 78 HN VAL 78 104.943 -1.270 3.856 533 HA VAL 78 HA VAL 78 106.448 -3.297 2.236 534 HB VAL 78 HB VAL 78 103.913 -3.468 2.450 535 HG11 VAL 78 HG11 VAL 78 102.512 -1.889 1.432 536 HG12 VAL 78 HG12 VAL 78 103.811 -1.220 0.443 537 HG13 VAL 78 HG13 VAL 78 103.744 -0.865 2.168 538 HG21 VAL 78 HG21 VAL 78 105.219 -4.536 0.634 539 HG22 VAL 78 HG22 VAL 78 105.083 -3.060 -0.322 540 HG23 VAL 78 HG23 VAL 78 103.640 -3.999 0.061 541 H VAL 79 HN VAL 79 107.936 -2.490 0.916 542 HA VAL 79 HA VAL 79 107.766 0.373 0.098 543 HB VAL 79 HB VAL 79 110.178 -0.135 -0.690 544 HG11 VAL 79 HG11 VAL 79 111.065 0.210 1.543 545 HG12 VAL 79 HG12 VAL 79 109.595 -0.438 2.268 546 HG13 VAL 79 HG13 VAL 79 109.549 1.101 1.410 547 HG21 VAL 79 HG21 VAL 79 109.758 -2.518 1.141 548 HG22 VAL 79 HG22 VAL 79 111.235 -2.088 0.288 549 HG23 VAL 79 HG23 VAL 79 109.825 -2.630 -0.618 550 H GLN 80 HN GLN 80 108.543 0.745 -2.261 551 HA GLN 80 HA GLN 80 107.173 -1.263 -4.000 552 HB2 GLN 80 HB2 GLN 80 106.492 1.179 -4.022 553 HB3 GLN 80 HB1 GLN 80 108.053 1.523 -4.767 554 HG2 GLN 80 HG2 GLN 80 106.539 1.257 -6.586 555 HG3 GLN 80 HG1 GLN 80 107.439 -0.258 -6.508 556 HE21 GLN 80 HE21 GLN 80 106.258 -2.175 -6.094 557 HE22 GLN 80 HE22 GLN 80 104.591 -2.204 -5.779 558 H GLU 81 HN GLU 81 110.275 0.538 -3.757 559 HA GLU 81 HA GLU 81 111.518 -1.638 -5.269 560 HB2 GLU 81 HB2 GLU 81 112.580 0.578 -6.642 561 HB3 GLU 81 HB1 GLU 81 111.447 -0.607 -7.286 562 HG2 GLU 81 HG2 GLU 81 109.566 0.714 -6.659 563 HG3 GLU 81 HG1 GLU 81 110.569 1.800 -5.698 564 HA PRO 82 HA PRO 82 115.219 -1.260 -2.952 565 HB2 PRO 82 HB2 PRO 82 116.558 -0.493 -5.515 566 HB3 PRO 82 HB1 PRO 82 117.048 -1.691 -4.304 567 HG2 PRO 82 HG2 PRO 82 115.813 -2.410 -6.633 568 HG3 PRO 82 HG1 PRO 82 115.623 -3.293 -5.124 569 HD2 PRO 82 HD2 PRO 82 113.610 -1.663 -6.506 570 HD3 PRO 82 HD1 PRO 82 113.401 -2.842 -5.207 571 H GLY 83 HN GLY 83 116.975 0.229 -2.424 572 HA2 GLY 83 HA2 GLY 83 117.665 2.710 -3.066 573 HA3 GLY 83 HA1 GLY 83 116.012 3.053 -2.554 574 H ASP 84 HN ASP 84 117.690 4.370 -1.099 575 HA ASP 84 HA ASP 84 118.471 2.790 1.294 576 HB2 ASP 84 HB2 ASP 84 118.933 5.754 0.927 577 HB3 ASP 84 HB1 ASP 84 119.868 4.598 1.872 578 H TYR 85 HN TYR 85 116.306 2.434 2.055 579 HA TYR 85 HA TYR 85 114.501 4.660 2.486 580 HB2 TYR 85 HB2 TYR 85 114.541 1.736 2.943 581 HB3 TYR 85 HB1 TYR 85 113.559 2.631 4.103 582 HD1 TYR 85 HD2 TYR 85 111.726 4.139 3.248 583 HD2 TYR 85 HD1 TYR 85 113.846 1.413 0.694 584 HE1 TYR 85 HE2 TYR 85 109.928 4.325 1.555 585 HE2 TYR 85 HE1 TYR 85 112.049 1.600 -1.001 586 HH TYR 85 HH TYR 85 109.249 2.363 -0.630 587 H GLU 86 HN GLU 86 114.321 5.903 4.263 588 HA GLU 86 HA GLU 86 116.219 5.395 6.528 589 HB2 GLU 86 HB2 GLU 86 115.231 8.114 6.583 590 HB3 GLU 86 HB1 GLU 86 116.876 7.570 6.281 591 HG2 GLU 86 HG2 GLU 86 114.797 7.595 4.084 592 HG3 GLU 86 HG1 GLU 86 115.756 9.013 4.454 593 H VAL 87 HN VAL 87 115.251 4.786 8.379 594 HA VAL 87 HA VAL 87 112.395 5.584 8.867 595 HB VAL 87 HB VAL 87 112.837 3.135 8.417 596 HG11 VAL 87 HG11 VAL 87 114.121 3.158 11.153 597 HG12 VAL 87 HG12 VAL 87 115.067 3.196 9.665 598 HG13 VAL 87 HG13 VAL 87 114.024 1.817 10.012 599 HG21 VAL 87 HG21 VAL 87 111.465 2.376 10.325 600 HG22 VAL 87 HG22 VAL 87 110.876 3.918 9.705 601 HG23 VAL 87 HG23 VAL 87 111.833 3.871 11.185 602 H SER 88 HN SER 88 111.925 6.456 10.873 603 HA SER 88 HA SER 88 114.121 6.561 12.908 604 HB2 SER 88 HB2 SER 88 114.233 8.718 11.884 605 HB3 SER 88 HB1 SER 88 112.478 8.853 11.817 606 HG SER 88 HG SER 88 112.750 8.576 14.254 607 H ILE 89 HN ILE 89 113.200 5.209 14.377 608 HA ILE 89 HA ILE 89 110.377 5.734 15.219 609 HB ILE 89 HB ILE 89 110.240 3.480 15.850 610 HG12 ILE 89 HG12 ILE 89 113.263 3.568 15.900 611 HG13 ILE 89 HG11 ILE 89 112.172 3.181 17.222 612 HG21 ILE 89 HG21 ILE 89 110.544 3.946 13.351 613 HG22 ILE 89 HG22 ILE 89 110.813 2.284 13.870 614 HG23 ILE 89 HG23 ILE 89 112.188 3.339 13.545 615 HD11 ILE 89 HD11 ILE 89 113.012 1.076 16.547 616 HD12 ILE 89 HD12 ILE 89 112.885 1.479 14.835 617 HD13 ILE 89 HD13 ILE 89 111.427 1.171 15.778 618 H LYS 90 HN LYS 90 109.953 6.341 17.304 619 HA LYS 90 HA LYS 90 112.069 6.139 19.368 620 HB2 LYS 90 HB2 LYS 90 111.791 8.483 19.969 621 HB3 LYS 90 HB1 LYS 90 112.362 8.371 18.323 622 HG2 LYS 90 HG2 LYS 90 109.649 8.339 17.904 623 HG3 LYS 90 HG1 LYS 90 109.723 9.304 19.367 624 HD2 LYS 90 HD2 LYS 90 109.884 10.900 17.637 625 HD3 LYS 90 HD1 LYS 90 111.550 10.679 18.164 626 HE2 LYS 90 HE2 LYS 90 110.556 8.908 15.953 627 HE3 LYS 90 HE1 LYS 90 110.894 10.595 15.571 628 HZ1 LYS 90 HZ1 LYS 90 112.715 8.503 15.914 629 HZ2 LYS 90 HZ2 LYS 90 112.977 9.626 17.162 630 HZ3 LYS 90 HZ3 LYS 90 113.036 10.126 15.540 631 H PHE 91 HN PHE 91 111.060 5.392 21.239 632 HA PHE 91 HA PHE 91 108.108 5.415 21.307 633 HB2 PHE 91 HB2 PHE 91 109.493 3.472 22.143 634 HB3 PHE 91 HB1 PHE 91 110.009 4.495 23.481 635 HD1 PHE 91 HD1 PHE 91 106.843 3.498 21.724 636 HD2 PHE 91 HD2 PHE 91 108.763 4.393 25.464 637 HE1 PHE 91 HE1 PHE 91 104.744 2.972 22.929 638 HE2 PHE 91 HE2 PHE 91 106.661 3.862 26.667 639 HZ PHE 91 HZ PHE 91 104.652 3.152 25.398 640 H ASN 92 HN ASN 92 107.530 7.587 21.519 641 HA ASN 92 HA ASN 92 106.994 9.521 22.731 642 HB2 ASN 92 HB2 ASN 92 106.953 7.698 24.672 643 HB3 ASN 92 HB1 ASN 92 108.443 8.496 25.171 644 HD21 ASN 92 HD21 ASN 92 108.264 10.525 26.217 645 HD22 ASN 92 HD22 ASN 92 106.790 11.329 26.464 646 H ASP 93 HN ASP 93 109.227 9.399 21.099 647 HA ASP 93 HA ASP 93 111.022 10.806 20.568 648 HB2 ASP 93 HB2 ASP 93 111.176 11.833 23.394 649 HB3 ASP 93 HB1 ASP 93 111.618 12.619 21.883 650 H GLU 94 HN GLU 94 111.008 8.163 22.288 651 HA GLU 94 HA GLU 94 113.741 8.287 23.391 652 HB2 GLU 94 HB2 GLU 94 111.583 6.186 23.243 653 HB3 GLU 94 HB1 GLU 94 113.231 5.710 23.609 654 HG2 GLU 94 HG2 GLU 94 113.294 7.040 25.582 655 HG3 GLU 94 HG1 GLU 94 111.838 7.906 25.120 656 H HIS 95 HN HIS 95 114.637 8.903 21.234 657 HA HIS 95 HA HIS 95 114.477 7.109 18.995 658 HB2 HIS 95 HB2 HIS 95 116.433 8.391 18.134 659 HB3 HIS 95 HB1 HIS 95 115.124 9.437 18.674 660 HD1 HIS 95 HD1 HIS 95 117.756 10.784 18.626 661 HD2 HIS 95 HD2 HIS 95 116.570 8.550 21.941 662 HE1 HIS 95 HE1 HIS 95 119.128 11.618 20.583 663 H ILE 96 HN ILE 96 115.138 5.012 19.263 664 HA ILE 96 HA ILE 96 117.293 4.288 21.058 665 HB ILE 96 HB ILE 96 117.115 2.126 19.334 666 HG12 ILE 96 HG12 ILE 96 115.397 3.575 18.050 667 HG13 ILE 96 HG11 ILE 96 114.949 1.916 18.426 668 HG21 ILE 96 HG21 ILE 96 115.337 1.268 20.927 669 HG22 ILE 96 HG22 ILE 96 115.361 2.856 21.691 670 HG23 ILE 96 HG23 ILE 96 116.808 1.853 21.696 671 HD11 ILE 96 HD11 ILE 96 113.264 2.559 19.822 672 HD12 ILE 96 HD12 ILE 96 113.379 4.094 18.969 673 HD13 ILE 96 HD13 ILE 96 114.190 3.890 20.512 674 HA PRO 97 HA PRO 97 120.918 5.114 18.714 675 HB2 PRO 97 HB2 PRO 97 121.892 2.343 18.697 676 HB3 PRO 97 HB1 PRO 97 122.544 3.739 19.568 677 HG2 PRO 97 HG2 PRO 97 121.029 1.558 20.678 678 HG3 PRO 97 HG1 PRO 97 121.603 3.001 21.526 679 HD2 PRO 97 HD2 PRO 97 118.882 2.357 20.840 680 HD3 PRO 97 HD1 PRO 97 119.474 3.841 21.612 681 H ASP 98 HN ASP 98 118.916 2.372 17.857 682 HA ASP 98 HA ASP 98 119.861 1.886 15.215 683 HB2 ASP 98 HB2 ASP 98 117.006 1.725 16.214 684 HB3 ASP 98 HB1 ASP 98 117.670 0.904 14.800 685 H SER 99 HN SER 99 116.961 3.774 16.112 686 HA SER 99 HA SER 99 116.864 4.980 13.528 687 HB2 SER 99 HB2 SER 99 115.443 5.365 16.117 688 HB3 SER 99 HB1 SER 99 115.285 6.631 14.904 689 HG SER 99 HG SER 99 114.904 4.630 13.478 690 HA PRO 100 HA PRO 100 116.597 6.659 12.274 691 HB2 PRO 100 HB2 PRO 100 118.033 8.404 10.663 692 HB3 PRO 100 HB1 PRO 100 116.670 8.887 11.684 693 HG2 PRO 100 HG2 PRO 100 119.536 9.489 12.043 694 HG3 PRO 100 HG1 PRO 100 118.136 10.241 12.824 695 HD2 PRO 100 HD2 PRO 100 119.934 8.252 13.942 696 HD3 PRO 100 HD1 PRO 100 118.547 9.031 14.731 697 H PHE 101 HN PHE 101 117.233 4.664 11.188 698 HA PHE 101 HA PHE 101 120.072 4.569 10.168 699 HB2 PHE 101 HB2 PHE 101 120.140 2.175 10.437 700 HB3 PHE 101 HB1 PHE 101 119.749 2.905 11.980 701 HD1 PHE 101 HD1 PHE 101 117.349 2.909 12.751 702 HD2 PHE 101 HD2 PHE 101 118.661 0.632 9.382 703 HE1 PHE 101 HE1 PHE 101 115.343 1.505 12.951 704 HE2 PHE 101 HE2 PHE 101 116.632 -0.784 9.556 705 HZ PHE 101 HZ PHE 101 114.967 -0.345 11.341 706 H VAL 102 HN VAL 102 120.312 3.078 8.270 707 HA VAL 102 HA VAL 102 118.197 3.744 6.324 708 HB VAL 102 HB VAL 102 120.516 4.245 5.741 709 HG11 VAL 102 HG11 VAL 102 120.966 1.258 6.023 710 HG12 VAL 102 HG12 VAL 102 121.583 2.494 7.119 711 HG13 VAL 102 HG13 VAL 102 122.154 2.429 5.453 712 HG21 VAL 102 HG21 VAL 102 119.566 1.860 4.125 713 HG22 VAL 102 HG22 VAL 102 120.588 3.182 3.570 714 HG23 VAL 102 HG23 VAL 102 118.896 3.483 3.964 715 H VAL 103 HN VAL 103 117.108 2.231 5.085 716 HA VAL 103 HA VAL 103 117.309 -0.641 5.935 717 HB VAL 103 HB VAL 103 114.898 0.990 5.097 718 HG11 VAL 103 HG11 VAL 103 114.546 -1.145 4.116 719 HG12 VAL 103 HG12 VAL 103 113.705 -1.232 5.662 720 HG13 VAL 103 HG13 VAL 103 115.290 -1.982 5.477 721 HG21 VAL 103 HG21 VAL 103 115.326 -0.579 7.643 722 HG22 VAL 103 HG22 VAL 103 114.131 0.677 7.324 723 HG23 VAL 103 HG23 VAL 103 115.834 1.103 7.497 724 HA PRO 104 HA PRO 104 118.439 -0.180 1.466 725 HB2 PRO 104 HB2 PRO 104 119.969 -2.638 1.679 726 HB3 PRO 104 HB1 PRO 104 120.572 -0.991 1.451 727 HG2 PRO 104 HG2 PRO 104 120.779 -2.581 3.829 728 HG3 PRO 104 HG1 PRO 104 121.252 -0.887 3.637 729 HD2 PRO 104 HD2 PRO 104 118.930 -1.977 5.043 730 HD3 PRO 104 HD1 PRO 104 119.522 -0.303 5.026 731 H VAL 105 HN VAL 105 116.749 -0.791 0.211 732 HA VAL 105 HA VAL 105 115.587 -3.524 0.501 733 HB VAL 105 HB VAL 105 114.628 -0.993 -0.867 734 HG11 VAL 105 HG11 VAL 105 112.649 -2.122 -1.560 735 HG12 VAL 105 HG12 VAL 105 113.039 -3.548 -0.606 736 HG13 VAL 105 HG13 VAL 105 113.961 -3.182 -2.059 737 HG21 VAL 105 HG21 VAL 105 113.268 -2.485 1.361 738 HG22 VAL 105 HG22 VAL 105 113.076 -0.800 0.881 739 HG23 VAL 105 HG23 VAL 105 114.545 -1.318 1.702 740 H ALA 106 HN ALA 106 115.681 -4.965 -1.325 741 HA ALA 106 HA ALA 106 117.299 -4.032 -3.686 742 HB1 ALA 106 HB1 ALA 106 117.766 -6.794 -2.692 743 HB2 ALA 106 HB2 ALA 106 118.365 -5.486 -1.677 744 HB3 ALA 106 HB3 ALA 106 118.903 -5.612 -3.348 745 H SER 107 HN SER 107 116.628 -4.811 -5.649 746 HA SER 107 HA SER 107 114.192 -6.501 -5.759 747 HB2 SER 107 HB2 SER 107 115.705 -5.177 -8.038 748 HB3 SER 107 HB1 SER 107 114.093 -5.879 -8.114 749 HG SER 107 HG SER 107 114.121 -3.574 -7.866 750 H LEU 108 HN LEU 108 115.891 -8.127 -4.851 751 HA LEU 108 HA LEU 108 116.836 -10.250 -5.301 752 HB2 LEU 108 HB2 LEU 108 115.517 -9.894 -7.635 753 HB3 LEU 108 HB1 LEU 108 117.157 -9.676 -8.239 754 HG LEU 108 HG LEU 108 117.655 -11.891 -6.888 755 HD11 LEU 108 HD11 LEU 108 114.657 -12.047 -7.337 756 HD12 LEU 108 HD12 LEU 108 115.482 -12.071 -5.780 757 HD13 LEU 108 HD13 LEU 108 115.677 -13.416 -6.901 758 HD21 LEU 108 HD21 LEU 108 117.769 -11.649 -9.356 759 HD22 LEU 108 HD22 LEU 108 116.031 -11.933 -9.454 760 HD23 LEU 108 HD23 LEU 108 117.104 -13.214 -8.888 761 H SER 109 HN SER 109 117.869 -7.182 -6.154 762 HA SER 109 HA SER 109 120.604 -7.687 -6.907 763 HB2 SER 109 HB2 SER 109 119.556 -5.217 -5.552 764 HB3 SER 109 HB1 SER 109 120.909 -5.361 -6.678 765 HG SER 109 HG SER 109 118.264 -6.072 -7.376 766 H ASP 110 HN ASP 110 118.873 -7.698 -3.915 767 HA ASP 110 HA ASP 110 119.618 -7.927 -1.684 768 HB2 ASP 110 HB2 ASP 110 120.320 -10.105 -2.769 769 HB3 ASP 110 HB1 ASP 110 121.917 -9.395 -3.010 770 H ASP 111 HN ASP 111 120.746 -5.762 -3.518 771 HA ASP 111 HA ASP 111 122.438 -4.484 -1.590 772 HB2 ASP 111 HB2 ASP 111 124.114 -6.093 -2.383 773 HB3 ASP 111 HB1 ASP 111 123.801 -5.622 -4.053 774 H ALA 112 HN ALA 112 121.225 -4.770 -4.898 775 HA ALA 112 HA ALA 112 120.717 -3.076 -6.475 776 HB1 ALA 112 HB1 ALA 112 120.217 -1.322 -4.070 777 HB2 ALA 112 HB2 ALA 112 119.155 -2.675 -4.456 778 HB3 ALA 112 HB3 ALA 112 119.351 -1.354 -5.607 779 H ARG 113 HN ARG 113 122.798 -2.663 -7.344 780 HA ARG 113 HA ARG 113 124.782 -1.061 -6.062 781 HB2 ARG 113 HB2 ARG 113 124.661 -2.537 -8.401 782 HB3 ARG 113 HB1 ARG 113 124.705 -0.899 -9.035 783 HG2 ARG 113 HG2 ARG 113 126.976 -1.477 -8.859 784 HG3 ARG 113 HG1 ARG 113 126.685 -0.537 -7.396 785 HD2 ARG 113 HD2 ARG 113 126.039 -3.103 -6.565 786 HD3 ARG 113 HD1 ARG 113 127.374 -3.404 -7.672 787 HE ARG 113 HE ARG 113 127.674 -2.474 -5.042 788 HH11 ARG 113 HH21 ARG 113 128.558 -1.429 -8.214 789 HH12 ARG 113 HH22 ARG 113 129.874 -0.456 -7.661 790 HH21 ARG 113 HH11 ARG 113 129.392 -1.223 -4.320 791 HH22 ARG 113 HH12 ARG 113 130.351 -0.343 -5.463 792 H ARG 114 HN ARG 114 125.266 0.855 -8.203 793 HA ARG 114 HA ARG 114 122.930 2.690 -8.096 794 HB2 ARG 114 HB2 ARG 114 124.419 3.154 -6.095 795 HB3 ARG 114 HB1 ARG 114 125.715 3.540 -7.227 796 HG2 ARG 114 HG2 ARG 114 124.570 5.429 -8.081 797 HG3 ARG 114 HG1 ARG 114 123.026 4.907 -7.410 798 HD2 ARG 114 HD2 ARG 114 123.977 5.227 -5.113 799 HD3 ARG 114 HD1 ARG 114 125.435 5.888 -5.853 800 HE ARG 114 HE ARG 114 123.390 7.406 -6.945 801 HH11 ARG 114 HH21 ARG 114 124.434 6.516 -3.781 802 HH12 ARG 114 HH22 ARG 114 123.867 7.975 -3.040 803 HH21 ARG 114 HH11 ARG 114 122.644 9.314 -5.996 804 HH22 ARG 114 HH12 ARG 114 122.854 9.559 -4.294 805 H LEU 115 HN LEU 115 125.234 1.144 -9.771 806 HA LEU 115 HA LEU 115 125.312 3.198 -11.954 807 HB2 LEU 115 HB2 LEU 115 127.559 1.276 -11.272 808 HB3 LEU 115 HB1 LEU 115 127.586 2.537 -12.500 809 HG LEU 115 HG LEU 115 127.187 3.096 -9.546 810 HD11 LEU 115 HD11 LEU 115 129.600 3.917 -9.717 811 HD12 LEU 115 HD12 LEU 115 129.697 3.020 -11.233 812 HD13 LEU 115 HD13 LEU 115 129.380 2.167 -9.722 813 HD21 LEU 115 HD21 LEU 115 126.384 4.933 -10.836 814 HD22 LEU 115 HD22 LEU 115 127.702 4.797 -11.999 815 HD23 LEU 115 HD23 LEU 115 128.020 5.393 -10.372 816 H THR 116 HN THR 116 125.071 -0.148 -10.965 817 HA THR 116 HA THR 116 124.696 -1.059 -13.769 818 HB THR 116 HB THR 116 124.510 -3.327 -12.464 819 HG1 THR 116 HG1 THR 116 124.790 -3.166 -10.412 820 HG21 THR 116 HG21 THR 116 126.411 -2.969 -13.844 821 HG22 THR 116 HG22 THR 116 127.064 -3.386 -12.259 822 HG23 THR 116 HG23 THR 116 127.032 -1.702 -12.785 823 H VAL 117 HN VAL 117 123.168 -2.191 -10.802 824 HA VAL 117 HA VAL 117 120.549 -2.362 -11.966 825 HB VAL 117 HB VAL 117 121.509 -2.139 -9.097 826 HG11 VAL 117 HG11 VAL 117 119.257 -1.347 -9.042 827 HG12 VAL 117 HG12 VAL 117 119.158 -3.051 -8.595 828 HG13 VAL 117 HG13 VAL 117 118.731 -2.542 -10.229 829 HG21 VAL 117 HG21 VAL 117 121.062 -4.535 -9.023 830 HG22 VAL 117 HG22 VAL 117 122.116 -4.195 -10.396 831 HG23 VAL 117 HG23 VAL 117 120.398 -4.494 -10.656 832 H THR 118 HN THR 118 122.540 0.156 -11.108 833 HA THR 118 HA THR 118 122.247 2.401 -10.550 834 HB THR 118 HB THR 118 122.089 2.398 -12.937 835 HG1 THR 118 HG1 THR 118 121.110 4.313 -13.106 836 HG21 THR 118 HG21 THR 118 119.803 2.285 -14.030 837 HG22 THR 118 HG22 THR 118 119.176 1.691 -12.498 838 HG23 THR 118 HG23 THR 118 120.390 0.761 -13.374 839 H SER 119 HN SER 119 121.117 1.396 -8.535 840 HA SER 119 HA SER 119 119.586 1.915 -6.855 841 HB2 SER 119 HB2 SER 119 118.437 3.921 -6.995 842 HB3 SER 119 HB1 SER 119 119.574 4.164 -8.320 843 HG SER 119 HG SER 119 118.011 3.797 -9.746 844 H1 MET 1 HT1 MET 1 120.929 23.736 -15.174 845 H2 MET 1 HT2 MET 1 119.382 23.105 -14.863 846 H3 MET 1 HT3 MET 1 120.617 22.089 -15.435 847 HA MET 1 HA MET 1 121.626 23.251 -13.144 848 HB2 MET 1 HB2 MET 1 118.789 22.231 -12.794 849 HB3 MET 1 HB1 MET 1 119.902 22.611 -11.480 850 HG2 MET 1 HG2 MET 1 119.919 24.927 -12.021 851 HG3 MET 1 HG1 MET 1 119.183 24.643 -13.598 852 HE1 MET 1 HE1 MET 1 117.237 24.664 -9.465 853 HE2 MET 1 HE2 MET 1 118.909 24.993 -9.908 854 HE3 MET 1 HE3 MET 1 118.318 23.333 -9.903 855 H ALA 2 HN ALA 2 120.428 20.700 -15.078 856 HA ALA 2 HA ALA 2 120.848 18.386 -15.081 857 HB1 ALA 2 HB1 ALA 2 123.165 19.346 -15.292 858 HB2 ALA 2 HB2 ALA 2 123.123 17.766 -14.511 859 HB3 ALA 2 HB3 ALA 2 123.322 19.223 -13.540 860 H SER 3 HN SER 3 122.180 16.802 -13.128 861 HA SER 3 HA SER 3 121.582 15.582 -11.212 862 HB2 SER 3 HB2 SER 3 122.665 17.304 -9.985 863 HB3 SER 3 HB1 SER 3 121.377 18.459 -10.315 864 HG SER 3 HG SER 3 121.383 16.220 -8.591 865 H LYS 4 HN LYS 4 119.599 14.919 -12.518 866 HA LYS 4 HA LYS 4 117.095 16.255 -11.881 867 HB2 LYS 4 HB2 LYS 4 117.702 14.837 -14.003 868 HB3 LYS 4 HB1 LYS 4 117.213 13.465 -13.013 869 HG2 LYS 4 HG2 LYS 4 115.036 14.573 -12.578 870 HG3 LYS 4 HG1 LYS 4 115.519 15.900 -13.635 871 HD2 LYS 4 HD2 LYS 4 115.537 14.509 -15.558 872 HD3 LYS 4 HD1 LYS 4 115.522 13.034 -14.592 873 HE2 LYS 4 HE2 LYS 4 113.248 15.020 -14.484 874 HE3 LYS 4 HE1 LYS 4 113.298 13.729 -15.684 875 HZ1 LYS 4 HZ1 LYS 4 113.500 12.124 -13.879 876 HZ2 LYS 4 HZ2 LYS 4 112.073 13.035 -13.738 877 HZ3 LYS 4 HZ3 LYS 4 113.404 13.375 -12.738 878 HA PRO 5 HA PRO 5 116.540 12.438 -9.047 879 HB2 PRO 5 HB2 PRO 5 119.041 11.492 -8.023 880 HB3 PRO 5 HB1 PRO 5 117.979 10.654 -9.164 881 HG2 PRO 5 HG2 PRO 5 120.565 11.823 -9.714 882 HG3 PRO 5 HG1 PRO 5 119.486 11.003 -10.853 883 HD2 PRO 5 HD2 PRO 5 119.989 13.877 -10.551 884 HD3 PRO 5 HD1 PRO 5 119.118 13.041 -11.851 885 H GLU 6 HN GLU 6 115.821 13.591 -7.276 886 HA GLU 6 HA GLU 6 117.751 14.472 -5.263 887 HB2 GLU 6 HB2 GLU 6 117.281 16.809 -5.300 888 HB3 GLU 6 HB1 GLU 6 117.639 16.366 -6.965 889 HG2 GLU 6 HG2 GLU 6 114.865 16.747 -5.776 890 HG3 GLU 6 HG1 GLU 6 115.684 17.836 -6.887 891 H LYS 7 HN LYS 7 116.840 14.380 -3.258 892 HA LYS 7 HA LYS 7 115.225 13.898 -1.627 893 HB2 LYS 7 HB2 LYS 7 113.423 15.510 -3.457 894 HB3 LYS 7 HB1 LYS 7 113.179 15.216 -1.738 895 HG2 LYS 7 HG2 LYS 7 115.642 16.608 -2.822 896 HG3 LYS 7 HG1 LYS 7 114.188 17.483 -2.350 897 HD2 LYS 7 HD2 LYS 7 114.393 16.271 -0.085 898 HD3 LYS 7 HD1 LYS 7 116.022 15.834 -0.601 899 HE2 LYS 7 HE2 LYS 7 116.220 17.868 0.659 900 HE3 LYS 7 HE1 LYS 7 116.429 18.300 -1.039 901 HZ1 LYS 7 HZ1 LYS 7 114.925 19.853 -0.176 902 HZ2 LYS 7 HZ2 LYS 7 114.037 18.672 0.664 903 HZ3 LYS 7 HZ3 LYS 7 113.958 18.752 -1.031 904 H ARG 8 HN ARG 8 114.657 11.757 -1.600 905 HA ARG 8 HA ARG 8 113.215 10.532 -3.833 906 HB2 ARG 8 HB2 ARG 8 113.401 9.170 -1.162 907 HB3 ARG 8 HB1 ARG 8 113.659 8.511 -2.780 908 HG2 ARG 8 HG2 ARG 8 115.752 10.088 -2.807 909 HG3 ARG 8 HG1 ARG 8 115.552 10.103 -1.058 910 HD2 ARG 8 HD2 ARG 8 115.614 7.605 -1.076 911 HD3 ARG 8 HD1 ARG 8 115.939 7.660 -2.808 912 HE ARG 8 HE ARG 8 117.890 9.297 -1.688 913 HH11 ARG 8 HH21 ARG 8 116.759 6.072 -1.289 914 HH12 ARG 8 HH22 ARG 8 118.299 5.449 -0.800 915 HH21 ARG 8 HH11 ARG 8 119.910 8.511 -1.053 916 HH22 ARG 8 HH12 ARG 8 120.087 6.831 -0.668 917 H VAL 9 HN VAL 9 111.109 9.268 -3.210 918 HA VAL 9 HA VAL 9 109.084 11.097 -2.523 919 HB VAL 9 HB VAL 9 109.210 8.087 -2.341 920 HG11 VAL 9 HG11 VAL 9 106.901 9.954 -1.759 921 HG12 VAL 9 HG12 VAL 9 107.529 8.663 -0.735 922 HG13 VAL 9 HG13 VAL 9 106.659 8.268 -2.217 923 HG21 VAL 9 HG21 VAL 9 107.827 8.205 -4.352 924 HG22 VAL 9 HG22 VAL 9 109.280 9.177 -4.580 925 HG23 VAL 9 HG23 VAL 9 107.743 9.961 -4.217 926 H ALA 10 HN ALA 10 107.845 11.297 -0.515 927 HA ALA 10 HA ALA 10 109.463 10.655 1.940 928 HB1 ALA 10 HB1 ALA 10 108.364 12.716 2.900 929 HB2 ALA 10 HB2 ALA 10 107.750 13.064 1.284 930 HB3 ALA 10 HB3 ALA 10 109.489 13.036 1.580 931 H SER 11 HN SER 11 108.314 10.028 3.800 932 HA SER 11 HA SER 11 105.373 9.674 3.593 933 HB2 SER 11 HB2 SER 11 106.006 7.563 2.738 934 HB3 SER 11 HB1 SER 11 107.382 7.432 3.828 935 HG SER 11 HG SER 11 105.283 7.734 5.352 936 H SER 12 HN SER 12 104.385 9.739 5.613 937 HA SER 12 HA SER 12 106.097 9.606 8.046 938 HB2 SER 12 HB2 SER 12 104.192 11.910 7.581 939 HB3 SER 12 HB1 SER 12 105.380 11.731 8.870 940 HG SER 12 HG SER 12 106.522 11.495 6.429 941 H VAL 13 HN VAL 13 105.076 8.268 9.426 942 HA VAL 13 HA VAL 13 102.242 8.554 10.013 943 HB VAL 13 HB VAL 13 102.065 7.223 7.971 944 HG11 VAL 13 HG11 VAL 13 103.214 5.164 7.643 945 HG12 VAL 13 HG12 VAL 13 103.737 5.103 9.326 946 HG13 VAL 13 HG13 VAL 13 104.437 6.291 8.226 947 HG21 VAL 13 HG21 VAL 13 100.685 6.707 10.118 948 HG22 VAL 13 HG22 VAL 13 101.687 5.260 10.230 949 HG23 VAL 13 HG23 VAL 13 100.672 5.522 8.814 950 H PHE 14 HN PHE 14 101.593 6.827 11.673 951 HA PHE 14 HA PHE 14 103.591 5.252 12.972 952 HB2 PHE 14 HB2 PHE 14 104.087 6.540 14.888 953 HB3 PHE 14 HB1 PHE 14 104.474 7.531 13.515 954 HD1 PHE 14 HD2 PHE 14 102.434 9.024 12.635 955 HD2 PHE 14 HD1 PHE 14 102.871 7.515 16.633 956 HE1 PHE 14 HE2 PHE 14 100.935 10.804 13.473 957 HE2 PHE 14 HE1 PHE 14 101.377 9.299 17.472 958 HZ PHE 14 HZ PHE 14 100.402 10.946 15.892 959 H ILE 15 HN ILE 15 102.854 5.264 15.582 960 HA ILE 15 HA ILE 15 99.915 5.148 15.785 961 HB ILE 15 HB ILE 15 100.308 2.726 16.760 962 HG12 ILE 15 HG12 ILE 15 102.560 2.907 14.746 963 HG13 ILE 15 HG11 ILE 15 102.807 2.942 16.492 964 HG21 ILE 15 HG21 ILE 15 98.941 3.295 14.745 965 HG22 ILE 15 HG22 ILE 15 99.785 1.755 14.589 966 HG23 ILE 15 HG23 ILE 15 100.405 3.185 13.767 967 HD11 ILE 15 HD11 ILE 15 103.106 0.658 15.738 968 HD12 ILE 15 HD12 ILE 15 101.567 0.697 14.876 969 HD13 ILE 15 HD13 ILE 15 101.592 0.744 16.639 970 H THR 16 HN THR 16 99.314 4.544 18.099 971 HA THR 16 HA THR 16 101.431 5.426 20.045 972 HB THR 16 HB THR 16 99.714 7.173 19.740 973 HG1 THR 16 HG1 THR 16 99.795 5.687 22.124 974 HG21 THR 16 HG21 THR 16 97.689 5.197 20.790 975 HG22 THR 16 HG22 THR 16 97.939 5.436 19.060 976 HG23 THR 16 HG23 THR 16 97.401 6.780 20.068 977 H LEU 17 HN LEU 17 101.810 3.965 21.643 978 HA LEU 17 HA LEU 17 99.996 1.611 21.859 979 HB2 LEU 17 HB2 LEU 17 102.651 1.944 23.261 980 HB3 LEU 17 HB1 LEU 17 101.821 0.452 22.815 981 HG LEU 17 HG LEU 17 103.094 2.451 20.926 982 HD11 LEU 17 HD11 LEU 17 104.690 0.749 20.473 983 HD12 LEU 17 HD12 LEU 17 103.717 -0.488 21.268 984 HD13 LEU 17 HD13 LEU 17 104.525 0.751 22.228 985 HD21 LEU 17 HD21 LEU 17 101.139 1.658 19.811 986 HD22 LEU 17 HD22 LEU 17 101.350 0.025 20.442 987 HD23 LEU 17 HD23 LEU 17 102.451 0.644 19.211 988 H ALA 18 HN ALA 18 99.180 0.937 23.903 989 HA ALA 18 HA ALA 18 99.670 2.432 26.318 990 HB1 ALA 18 HB1 ALA 18 97.141 3.160 26.423 991 HB2 ALA 18 HB2 ALA 18 97.231 3.041 24.666 992 HB3 ALA 18 HB3 ALA 18 98.288 4.157 25.527 993 HA PRO 19 HA PRO 19 98.146 -1.401 27.898 994 HB2 PRO 19 HB2 PRO 19 96.796 -0.382 30.224 995 HB3 PRO 19 HB1 PRO 19 98.435 -1.041 30.140 996 HG2 PRO 19 HG2 PRO 19 97.608 1.766 30.381 997 HG3 PRO 19 HG1 PRO 19 99.225 1.070 30.567 998 HD2 PRO 19 HD2 PRO 19 98.313 2.632 28.369 999 HD3 PRO 19 HD1 PRO 19 99.823 1.697 28.449 1000 HA PRO 20 HA PRO 20 93.940 -1.386 26.292 1001 HB2 PRO 20 HB2 PRO 20 93.159 -3.866 27.495 1002 HB3 PRO 20 HB1 PRO 20 93.775 -3.633 25.854 1003 HG2 PRO 20 HG2 PRO 20 95.159 -4.783 28.178 1004 HG3 PRO 20 HG1 PRO 20 95.645 -4.809 26.476 1005 HD2 PRO 20 HD2 PRO 20 96.815 -3.223 28.536 1006 HD3 PRO 20 HD1 PRO 20 97.104 -3.073 26.788 1007 H ARG 21 HN ARG 21 94.572 -2.232 29.678 1008 HA ARG 21 HA ARG 21 91.920 -1.723 30.658 1009 HB2 ARG 21 HB2 ARG 21 94.569 -1.511 32.123 1010 HB3 ARG 21 HB1 ARG 21 92.979 -1.653 32.873 1011 HG2 ARG 21 HG2 ARG 21 92.678 -3.871 32.083 1012 HG3 ARG 21 HG1 ARG 21 93.993 -3.722 30.917 1013 HD2 ARG 21 HD2 ARG 21 94.389 -3.586 33.918 1014 HD3 ARG 21 HD1 ARG 21 94.590 -5.059 32.970 1015 HE ARG 21 HE ARG 21 96.210 -3.216 31.681 1016 HH11 ARG 21 HH21 ARG 21 95.811 -4.379 34.903 1017 HH12 ARG 21 HH22 ARG 21 97.475 -4.156 35.331 1018 HH21 ARG 21 HH11 ARG 21 98.384 -2.919 32.222 1019 HH22 ARG 21 HH12 ARG 21 98.932 -3.330 33.813 1020 H ARG 22 HN ARG 22 92.304 0.111 32.740 1021 HA ARG 22 HA ARG 22 92.935 2.691 31.345 1022 HB2 ARG 22 HB2 ARG 22 90.546 2.084 33.118 1023 HB3 ARG 22 HB1 ARG 22 90.970 3.684 32.517 1024 HG2 ARG 22 HG2 ARG 22 90.614 1.410 30.566 1025 HG3 ARG 22 HG1 ARG 22 89.197 2.230 31.214 1026 HD2 ARG 22 HD2 ARG 22 91.495 3.554 29.739 1027 HD3 ARG 22 HD1 ARG 22 89.875 3.277 29.106 1028 HE ARG 22 HE ARG 22 89.438 4.745 31.414 1029 HH11 ARG 22 HH21 ARG 22 91.377 5.053 28.581 1030 HH12 ARG 22 HH22 ARG 22 91.331 6.784 28.576 1031 HH21 ARG 22 HH11 ARG 22 89.367 7.004 31.424 1032 HH22 ARG 22 HH12 ARG 22 90.193 7.889 30.185 1033 H ASP 23 HN ASP 23 91.693 1.989 34.603 1034 HA ASP 23 HA ASP 23 93.585 3.737 35.863 1035 HB2 ASP 23 HB2 ASP 23 92.133 1.438 37.196 1036 HB3 ASP 23 HB1 ASP 23 92.691 2.936 37.941 1037 H VAL 24 HN VAL 24 93.980 1.389 37.954 1038 HA VAL 24 HA VAL 24 96.108 -0.146 36.584 1039 HB VAL 24 HB VAL 24 96.663 1.660 38.962 1040 HG11 VAL 24 HG11 VAL 24 99.025 0.839 38.588 1041 HG12 VAL 24 HG12 VAL 24 98.364 -0.368 37.486 1042 HG13 VAL 24 HG13 VAL 24 97.916 -0.393 39.191 1043 HG21 VAL 24 HG21 VAL 24 97.481 1.735 36.047 1044 HG22 VAL 24 HG22 VAL 24 98.340 2.635 37.298 1045 HG23 VAL 24 HG23 VAL 24 96.644 2.986 36.967 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 122.823 11.574 42.238 2 H2 GLY 1 HT2 GLY 1 122.291 12.224 40.761 3 H3 GLY 1 HT3 GLY 1 122.209 13.155 42.178 4 HA2 GLY 1 HA2 GLY 1 124.067 13.804 40.574 5 HA3 GLY 1 HA1 GLY 1 124.580 13.299 42.208 6 H ILE 2 HN ILE 2 124.222 10.544 42.100 7 HA ILE 2 HA ILE 2 126.679 9.781 40.861 8 HB ILE 2 HB ILE 2 127.511 11.286 42.736 9 HG12 ILE 2 HG12 ILE 2 129.067 9.347 43.676 10 HG13 ILE 2 HG11 ILE 2 128.267 8.379 42.442 11 HG21 ILE 2 HG21 ILE 2 125.599 10.162 44.286 12 HG22 ILE 2 HG22 ILE 2 127.070 10.862 44.956 13 HG23 ILE 2 HG23 ILE 2 126.955 9.122 44.725 14 HD11 ILE 2 HD11 ILE 2 128.985 9.928 40.699 15 HD12 ILE 2 HD12 ILE 2 130.389 9.432 41.641 16 HD13 ILE 2 HD13 ILE 2 129.667 11.018 41.906 17 HA PRO 3 HA PRO 3 123.390 6.760 42.655 18 HB2 PRO 3 HB2 PRO 3 123.176 5.713 39.963 19 HB3 PRO 3 HB1 PRO 3 121.922 6.511 40.921 20 HG2 PRO 3 HG2 PRO 3 123.458 7.604 38.683 21 HG3 PRO 3 HG1 PRO 3 122.063 8.312 39.510 22 HD2 PRO 3 HD2 PRO 3 124.734 9.231 39.703 23 HD3 PRO 3 HD1 PRO 3 123.389 9.675 40.775 24 H GLU 4 HN GLU 4 125.114 5.724 39.748 25 HA GLU 4 HA GLU 4 126.835 4.083 39.533 26 HB2 GLU 4 HB2 GLU 4 127.704 5.428 41.727 27 HB3 GLU 4 HB1 GLU 4 127.259 3.916 42.515 28 HG2 GLU 4 HG2 GLU 4 128.660 2.694 40.828 29 HG3 GLU 4 HG1 GLU 4 129.197 4.255 40.207 30 H PHE 5 HN PHE 5 124.092 4.174 41.185 31 HA PHE 5 HA PHE 5 123.741 1.282 41.702 32 HB2 PHE 5 HB2 PHE 5 122.623 3.900 42.726 33 HB3 PHE 5 HB1 PHE 5 121.474 2.547 42.595 34 HD1 PHE 5 HD2 PHE 5 122.029 0.344 43.756 35 HD2 PHE 5 HD1 PHE 5 124.201 3.977 44.492 36 HE1 PHE 5 HE2 PHE 5 122.913 -0.612 45.867 37 HE2 PHE 5 HE1 PHE 5 125.085 3.021 46.603 38 HZ PHE 5 HZ PHE 5 124.440 0.726 47.290 39 H PHE 6 HN PHE 6 123.957 3.103 39.290 40 HA PHE 6 HA PHE 6 122.951 3.584 37.291 41 HB2 PHE 6 HB2 PHE 6 121.753 1.674 36.228 42 HB3 PHE 6 HB1 PHE 6 123.319 1.227 36.900 43 HD1 PHE 6 HD1 PHE 6 123.489 -0.128 38.940 44 HD2 PHE 6 HD2 PHE 6 119.672 0.887 37.248 45 HE1 PHE 6 HE1 PHE 6 122.404 -1.855 40.349 46 HE2 PHE 6 HE2 PHE 6 118.588 -0.838 38.659 47 HZ PHE 6 HZ PHE 6 119.953 -2.209 40.210 48 H GLN 7 HN GLN 7 120.418 2.738 36.313 49 HA GLN 7 HA GLN 7 118.094 3.187 36.525 50 HB2 GLN 7 HB2 GLN 7 118.597 3.050 39.165 51 HB3 GLN 7 HB1 GLN 7 118.481 4.804 39.044 52 HG2 GLN 7 HG2 GLN 7 116.276 4.019 39.548 53 HG3 GLN 7 HG1 GLN 7 116.265 4.455 37.839 54 HE21 GLN 7 HE21 GLN 7 114.998 2.918 36.777 55 HE22 GLN 7 HE22 GLN 7 115.107 1.241 37.013 56 H PHE 8 HN PHE 8 120.833 4.985 36.599 57 HA PHE 8 HA PHE 8 119.702 7.051 34.922 58 HB2 PHE 8 HB2 PHE 8 120.708 7.690 37.694 59 HB3 PHE 8 HB1 PHE 8 120.802 8.889 36.405 60 HD1 PHE 8 HD2 PHE 8 118.718 9.684 35.278 61 HD2 PHE 8 HD1 PHE 8 118.612 7.121 38.723 62 HE1 PHE 8 HE2 PHE 8 116.331 10.258 35.631 63 HE2 PHE 8 HE1 PHE 8 116.226 7.695 39.077 64 HZ PHE 8 HZ PHE 8 115.085 9.263 37.531 65 H THR 9 HN THR 9 122.398 5.701 36.653 66 HA THR 9 HA THR 9 124.323 6.819 34.680 67 HB THR 9 HB THR 9 124.661 5.153 37.197 68 HG1 THR 9 HG1 THR 9 125.063 7.009 38.069 69 HG21 THR 9 HG21 THR 9 127.168 5.740 36.696 70 HG22 THR 9 HG22 THR 9 126.617 5.878 35.027 71 HG23 THR 9 HG23 THR 9 126.433 4.353 35.895 72 H VAL 10 HN VAL 10 122.110 4.483 34.844 73 HA VAL 10 HA VAL 10 123.089 1.994 34.254 74 HB VAL 10 HB VAL 10 120.693 2.510 34.195 75 HG11 VAL 10 HG11 VAL 10 121.036 4.722 33.005 76 HG12 VAL 10 HG12 VAL 10 119.688 3.755 32.407 77 HG13 VAL 10 HG13 VAL 10 121.204 3.805 31.509 78 HG21 VAL 10 HG21 VAL 10 121.631 0.521 32.935 79 HG22 VAL 10 HG22 VAL 10 121.556 1.500 31.471 80 HG23 VAL 10 HG23 VAL 10 120.075 1.099 32.340 81 H GLY 11 HN GLY 11 123.082 4.799 32.127 82 HA2 GLY 11 HA2 GLY 11 125.327 4.692 30.737 83 HA3 GLY 11 HA1 GLY 11 124.543 3.301 30.003 84 HA PRO 12 HA PRO 12 122.480 6.157 27.276 85 HB2 PRO 12 HB2 PRO 12 120.058 4.784 26.888 86 HB3 PRO 12 HB1 PRO 12 121.556 4.465 26.002 87 HG2 PRO 12 HG2 PRO 12 120.317 2.895 28.205 88 HG3 PRO 12 HG1 PRO 12 121.425 2.356 26.934 89 HD2 PRO 12 HD2 PRO 12 122.140 2.804 29.618 90 HD3 PRO 12 HD1 PRO 12 123.271 2.705 28.251 91 H LEU 13 HN LEU 13 122.210 6.508 30.179 92 HA LEU 13 HA LEU 13 120.801 7.399 31.835 93 HB2 LEU 13 HB2 LEU 13 119.373 9.392 30.416 94 HB3 LEU 13 HB1 LEU 13 120.903 9.598 31.249 95 HG LEU 13 HG LEU 13 120.580 8.799 28.339 96 HD11 LEU 13 HD11 LEU 13 121.292 11.042 27.830 97 HD12 LEU 13 HD12 LEU 13 121.575 11.392 29.535 98 HD13 LEU 13 HD13 LEU 13 119.931 11.145 28.947 99 HD21 LEU 13 HD21 LEU 13 123.213 9.771 28.919 100 HD22 LEU 13 HD22 LEU 13 122.753 8.139 28.457 101 HD23 LEU 13 HD23 LEU 13 122.844 8.571 30.160 102 H GLY 14 HN GLY 14 119.731 5.138 30.336 103 HA2 GLY 14 HA2 GLY 14 117.721 3.916 30.400 104 HA3 GLY 14 HA1 GLY 14 116.981 5.266 31.273 105 H GLU 15 HN GLU 15 117.494 7.319 29.454 106 HA GLU 15 HA GLU 15 116.445 8.343 27.631 107 HB2 GLU 15 HB2 GLU 15 118.073 6.799 26.474 108 HB3 GLU 15 HB1 GLU 15 116.769 5.627 26.336 109 HG2 GLU 15 HG2 GLU 15 115.492 7.050 24.915 110 HG3 GLU 15 HG1 GLU 15 116.489 8.452 25.303 111 H GLY 16 HN GLY 16 115.034 6.038 29.449 112 HA2 GLY 16 HA2 GLY 16 112.745 5.829 29.923 113 HA3 GLY 16 HA1 GLY 16 112.363 6.662 28.415 114 H GLY 17 HN GLY 17 110.835 5.118 27.769 115 HA2 GLY 17 HA2 GLY 17 110.782 2.403 27.820 116 HA3 GLY 17 HA1 GLY 17 110.226 3.291 26.407 117 H ALA 18 HN ALA 18 113.109 4.254 25.991 118 HA ALA 18 HA ALA 18 113.895 2.487 23.989 119 HB1 ALA 18 HB1 ALA 18 116.199 3.571 25.493 120 HB2 ALA 18 HB2 ALA 18 114.972 4.773 25.102 121 HB3 ALA 18 HB3 ALA 18 115.731 3.842 23.815 122 H HIS 19 HN HIS 19 113.832 1.805 27.305 123 HA HIS 19 HA HIS 19 115.918 -0.302 27.099 124 HB2 HIS 19 HB2 HIS 19 116.011 1.061 29.095 125 HB3 HIS 19 HB1 HIS 19 114.303 0.777 29.424 126 HD1 HIS 19 HD1 HIS 19 116.307 -2.111 28.217 127 HD2 HIS 19 HD2 HIS 19 115.075 -0.560 31.885 128 HE1 HIS 19 HE1 HIS 19 116.722 -3.923 29.936 129 H LYS 20 HN LYS 20 112.416 0.060 27.629 130 HA LYS 20 HA LYS 20 112.093 -2.878 27.806 131 HB2 LYS 20 HB2 LYS 20 109.757 -2.396 28.280 132 HB3 LYS 20 HB1 LYS 20 110.784 -1.373 29.280 133 HG2 LYS 20 HG2 LYS 20 109.476 0.344 28.500 134 HG3 LYS 20 HG1 LYS 20 110.473 0.228 27.058 135 HD2 LYS 20 HD2 LYS 20 108.740 -1.586 26.303 136 HD3 LYS 20 HD1 LYS 20 107.711 -0.866 27.534 137 HE2 LYS 20 HE2 LYS 20 108.464 1.405 26.313 138 HE3 LYS 20 HE1 LYS 20 108.672 0.303 24.952 139 HZ1 LYS 20 HZ1 LYS 20 106.496 0.524 24.655 140 HZ2 LYS 20 HZ2 LYS 20 106.269 1.266 26.166 141 HZ3 LYS 20 HZ3 LYS 20 106.286 -0.429 26.042 142 H VAL 21 HN VAL 21 112.052 -0.468 25.356 143 HA VAL 21 HA VAL 21 110.145 -1.883 23.644 144 HB VAL 21 HB VAL 21 110.674 0.642 23.590 145 HG11 VAL 21 HG11 VAL 21 113.215 0.108 23.410 146 HG12 VAL 21 HG12 VAL 21 112.559 1.413 22.422 147 HG13 VAL 21 HG13 VAL 21 112.882 -0.158 21.697 148 HG21 VAL 21 HG21 VAL 21 109.254 -0.343 21.911 149 HG22 VAL 21 HG22 VAL 21 110.636 -1.068 21.088 150 HG23 VAL 21 HG23 VAL 21 110.417 0.682 21.068 151 H ARG 22 HN ARG 22 110.629 -3.748 22.763 152 HA ARG 22 HA ARG 22 113.457 -4.343 21.968 153 HB2 ARG 22 HB2 ARG 22 112.412 -5.855 23.651 154 HB3 ARG 22 HB1 ARG 22 111.129 -6.207 22.500 155 HG2 ARG 22 HG2 ARG 22 112.563 -8.011 22.097 156 HG3 ARG 22 HG1 ARG 22 113.174 -6.871 20.909 157 HD2 ARG 22 HD2 ARG 22 115.097 -7.687 22.041 158 HD3 ARG 22 HD1 ARG 22 114.810 -6.087 22.722 159 HE ARG 22 HE ARG 22 113.418 -7.779 24.415 160 HH11 ARG 22 HH21 ARG 22 116.615 -7.580 23.146 161 HH12 ARG 22 HH22 ARG 22 117.358 -8.295 24.538 162 HH21 ARG 22 HH11 ARG 22 114.368 -8.716 26.245 163 HH22 ARG 22 HH12 ARG 22 116.085 -8.938 26.293 164 H ALA 23 HN ALA 23 113.869 -4.859 19.845 165 HA ALA 23 HA ALA 23 111.613 -5.349 17.987 166 HB1 ALA 23 HB1 ALA 23 112.220 -3.577 16.480 167 HB2 ALA 23 HB2 ALA 23 113.661 -3.190 17.421 168 HB3 ALA 23 HB3 ALA 23 112.060 -2.847 18.077 169 H GLY 24 HN GLY 24 112.251 -7.207 17.044 170 HA2 GLY 24 HA2 GLY 24 114.954 -7.344 15.818 171 HA3 GLY 24 HA1 GLY 24 114.531 -8.606 16.978 172 H GLY 25 HN GLY 25 114.753 -8.194 13.792 173 HA2 GLY 25 HA2 GLY 25 113.112 -10.437 13.130 174 HA3 GLY 25 HA1 GLY 25 112.253 -8.961 12.692 175 H THR 26 HN THR 26 112.894 -10.606 10.636 176 HA THR 26 HA THR 26 115.496 -10.010 9.477 177 HB THR 26 HB THR 26 113.005 -11.040 8.088 178 HG1 THR 26 HG1 THR 26 114.212 -13.083 8.485 179 HG21 THR 26 HG21 THR 26 114.651 -10.363 6.488 180 HG22 THR 26 HG22 THR 26 114.783 -12.116 6.624 181 HG23 THR 26 HG23 THR 26 115.957 -11.078 7.434 182 H GLY 27 HN GLY 27 112.377 -8.490 9.504 183 HA2 GLY 27 HA2 GLY 27 112.688 -6.914 7.108 184 HA3 GLY 27 HA1 GLY 27 111.581 -6.562 8.438 185 H LEU 28 HN LEU 28 113.792 -6.667 10.396 186 HA LEU 28 HA LEU 28 114.627 -3.870 10.155 187 HB2 LEU 28 HB2 LEU 28 115.168 -6.030 12.213 188 HB3 LEU 28 HB1 LEU 28 115.768 -4.384 12.356 189 HG LEU 28 HG LEU 28 112.824 -4.887 11.909 190 HD11 LEU 28 HD11 LEU 28 112.597 -4.737 14.432 191 HD12 LEU 28 HD12 LEU 28 114.336 -5.018 14.530 192 HD13 LEU 28 HD13 LEU 28 113.282 -6.249 13.833 193 HD21 LEU 28 HD21 LEU 28 114.458 -2.680 13.211 194 HD22 LEU 28 HD22 LEU 28 112.698 -2.752 13.260 195 HD23 LEU 28 HD23 LEU 28 113.527 -2.576 11.717 196 H GLU 29 HN GLU 29 115.591 -5.957 8.233 197 HA GLU 29 HA GLU 29 118.532 -5.500 8.597 198 HB2 GLU 29 HB2 GLU 29 117.347 -8.018 7.410 199 HB3 GLU 29 HB1 GLU 29 119.021 -7.725 7.883 200 HG2 GLU 29 HG2 GLU 29 118.216 -7.440 10.258 201 HG3 GLU 29 HG1 GLU 29 116.622 -7.968 9.718 202 H ARG 30 HN ARG 30 116.019 -6.492 6.211 203 HA ARG 30 HA ARG 30 116.908 -4.434 4.361 204 HB2 ARG 30 HB2 ARG 30 117.720 -5.996 2.591 205 HB3 ARG 30 HB1 ARG 30 118.762 -5.976 4.015 206 HG2 ARG 30 HG2 ARG 30 117.616 -8.003 4.867 207 HG3 ARG 30 HG1 ARG 30 116.619 -8.036 3.412 208 HD2 ARG 30 HD2 ARG 30 118.797 -8.104 2.082 209 HD3 ARG 30 HD1 ARG 30 119.612 -8.417 3.614 210 HE ARG 30 HE ARG 30 117.595 -10.316 3.538 211 HH11 ARG 30 HH21 ARG 30 120.144 -9.287 1.459 212 HH12 ARG 30 HH22 ARG 30 120.381 -10.851 0.754 213 HH21 ARG 30 HH11 ARG 30 117.889 -12.366 2.630 214 HH22 ARG 30 HH12 ARG 30 119.104 -12.594 1.417 215 H GLY 31 HN GLY 31 115.894 -4.970 2.062 216 HA2 GLY 31 HA2 GLY 31 113.412 -6.565 2.240 217 HA3 GLY 31 HA1 GLY 31 113.207 -4.826 2.010 218 H VAL 32 HN VAL 32 112.237 -6.259 -0.045 219 HA VAL 32 HA VAL 32 114.300 -5.881 -2.179 220 HB VAL 32 HB VAL 32 112.532 -8.278 -1.714 221 HG11 VAL 32 HG11 VAL 32 113.931 -7.401 -4.249 222 HG12 VAL 32 HG12 VAL 32 112.230 -7.809 -4.052 223 HG13 VAL 32 HG13 VAL 32 113.455 -9.072 -3.955 224 HG21 VAL 32 HG21 VAL 32 114.584 -9.499 -1.727 225 HG22 VAL 32 HG22 VAL 32 114.870 -8.080 -0.720 226 HG23 VAL 32 HG23 VAL 32 115.475 -8.123 -2.376 227 H ALA 33 HN ALA 33 113.502 -5.321 -4.221 228 HA ALA 33 HA ALA 33 111.582 -3.398 -4.471 229 HB1 ALA 33 HB1 ALA 33 111.313 -4.878 -6.884 230 HB2 ALA 33 HB2 ALA 33 112.934 -5.212 -6.287 231 HB3 ALA 33 HB3 ALA 33 112.429 -3.549 -6.575 232 H GLY 34 HN GLY 34 109.536 -3.433 -3.686 233 HA2 GLY 34 HA2 GLY 34 107.309 -4.044 -3.375 234 HA3 GLY 34 HA1 GLY 34 107.440 -4.740 -4.983 235 H VAL 35 HN VAL 35 108.789 -5.630 -1.785 236 HA VAL 35 HA VAL 35 107.542 -8.313 -2.152 237 HB VAL 35 HB VAL 35 110.334 -7.610 -1.269 238 HG11 VAL 35 HG11 VAL 35 110.510 -10.103 -0.713 239 HG12 VAL 35 HG12 VAL 35 108.747 -10.123 -0.692 240 HG13 VAL 35 HG13 VAL 35 109.631 -9.115 0.454 241 HG21 VAL 35 HG21 VAL 35 110.890 -9.375 -2.934 242 HG22 VAL 35 HG22 VAL 35 109.950 -8.069 -3.656 243 HG23 VAL 35 HG23 VAL 35 109.171 -9.597 -3.249 244 HA PRO 36 HA PRO 36 105.735 -6.939 1.745 245 HB2 PRO 36 HB2 PRO 36 104.974 -9.648 2.468 246 HB3 PRO 36 HB1 PRO 36 103.929 -8.334 1.911 247 HG2 PRO 36 HG2 PRO 36 104.752 -10.675 0.426 248 HG3 PRO 36 HG1 PRO 36 103.707 -9.357 -0.124 249 HD2 PRO 36 HD2 PRO 36 106.424 -9.897 -0.936 250 HD3 PRO 36 HD1 PRO 36 105.384 -8.551 -1.454 251 H ALA 37 HN ALA 37 106.867 -6.601 3.608 252 HA ALA 37 HA ALA 37 108.685 -8.789 4.597 253 HB1 ALA 37 HB1 ALA 37 110.280 -6.848 5.207 254 HB2 ALA 37 HB2 ALA 37 109.349 -5.896 4.049 255 HB3 ALA 37 HB3 ALA 37 110.209 -7.338 3.514 256 H GLU 38 HN GLU 38 109.171 -8.596 6.920 257 HA GLU 38 HA GLU 38 107.690 -6.616 8.480 258 HB2 GLU 38 HB2 GLU 38 106.121 -8.063 9.527 259 HB3 GLU 38 HB1 GLU 38 106.000 -8.431 7.806 260 HG2 GLU 38 HG2 GLU 38 107.763 -10.275 8.296 261 HG3 GLU 38 HG1 GLU 38 107.336 -10.029 9.994 262 H PHE 39 HN PHE 39 107.977 -6.935 10.811 263 HA PHE 39 HA PHE 39 110.203 -8.734 11.585 264 HB2 PHE 39 HB2 PHE 39 111.083 -6.736 13.015 265 HB3 PHE 39 HB1 PHE 39 111.516 -6.800 11.311 266 HD1 PHE 39 HD2 PHE 39 109.849 -5.599 9.677 267 HD2 PHE 39 HD1 PHE 39 110.150 -4.755 13.868 268 HE1 PHE 39 HE2 PHE 39 108.833 -3.370 9.296 269 HE2 PHE 39 HE1 PHE 39 109.143 -2.520 13.485 270 HZ PHE 39 HZ PHE 39 108.482 -1.830 11.202 271 H SER 40 HN SER 40 110.386 -8.312 14.158 272 HA SER 40 HA SER 40 107.560 -8.398 15.183 273 HB2 SER 40 HB2 SER 40 108.195 -10.127 16.685 274 HB3 SER 40 HB1 SER 40 108.907 -10.574 15.137 275 HG SER 40 HG SER 40 110.304 -10.641 17.079 276 H ILE 41 HN ILE 41 107.125 -7.384 17.142 277 HA ILE 41 HA ILE 41 109.341 -6.028 18.593 278 HB ILE 41 HB ILE 41 106.970 -4.652 17.298 279 HG12 ILE 41 HG12 ILE 41 109.894 -3.865 17.440 280 HG13 ILE 41 HG11 ILE 41 109.223 -4.843 16.136 281 HG21 ILE 41 HG21 ILE 41 107.792 -2.618 18.655 282 HG22 ILE 41 HG22 ILE 41 108.616 -3.786 19.687 283 HG23 ILE 41 HG23 ILE 41 106.861 -3.829 19.534 284 HD11 ILE 41 HD11 ILE 41 107.978 -2.192 16.866 285 HD12 ILE 41 HD12 ILE 41 107.865 -3.086 15.352 286 HD13 ILE 41 HD13 ILE 41 109.368 -2.273 15.786 287 H TRP 42 HN TRP 42 109.017 -6.291 20.761 288 HA TRP 42 HA TRP 42 106.217 -6.764 21.744 289 HB2 TRP 42 HB2 TRP 42 106.857 -8.613 23.023 290 HB3 TRP 42 HB1 TRP 42 107.826 -8.840 21.572 291 HD1 TRP 42 HD1 TRP 42 110.362 -9.001 21.882 292 HE1 TRP 42 HE1 TRP 42 111.987 -8.648 23.853 293 HE3 TRP 42 HE3 TRP 42 107.152 -7.040 25.340 294 HZ2 TRP 42 HZ2 TRP 42 111.935 -7.664 26.536 295 HZ3 TRP 42 HZ3 TRP 42 107.967 -6.404 27.592 296 HH2 TRP 42 HH2 TRP 42 110.352 -6.714 28.195 297 H THR 43 HN THR 43 105.698 -5.650 23.614 298 HA THR 43 HA THR 43 107.772 -4.522 25.332 299 HB THR 43 HB THR 43 107.997 -2.791 23.767 300 HG1 THR 43 HG1 THR 43 106.480 -1.099 24.634 301 HG21 THR 43 HG21 THR 43 105.938 -1.768 22.670 302 HG22 THR 43 HG22 THR 43 105.029 -3.133 23.319 303 HG23 THR 43 HG23 THR 43 106.336 -3.412 22.168 304 H ARG 44 HN ARG 44 106.930 -4.052 27.342 305 HA ARG 44 HA ARG 44 104.183 -3.333 27.813 306 HB2 ARG 44 HB2 ARG 44 104.037 -5.821 27.181 307 HB3 ARG 44 HB1 ARG 44 104.876 -6.142 28.698 308 HG2 ARG 44 HG2 ARG 44 103.105 -4.939 29.932 309 HG3 ARG 44 HG1 ARG 44 102.260 -4.634 28.414 310 HD2 ARG 44 HD2 ARG 44 101.944 -7.015 28.050 311 HD3 ARG 44 HD1 ARG 44 102.925 -7.399 29.464 312 HE ARG 44 HE ARG 44 100.900 -5.797 30.474 313 HH11 ARG 44 HH21 ARG 44 101.118 -8.653 28.557 314 HH12 ARG 44 HH22 ARG 44 99.623 -9.313 29.131 315 HH21 ARG 44 HH11 ARG 44 98.944 -6.641 31.234 316 HH22 ARG 44 HH12 ARG 44 98.393 -8.175 30.647 317 H GLU 45 HN GLU 45 105.948 -1.877 28.857 318 HA GLU 45 HA GLU 45 106.088 -2.598 31.713 319 HB2 GLU 45 HB2 GLU 45 108.188 -3.505 30.551 320 HB3 GLU 45 HB1 GLU 45 108.635 -1.820 30.279 321 HG2 GLU 45 HG2 GLU 45 109.697 -2.432 32.323 322 HG3 GLU 45 HG1 GLU 45 108.291 -1.476 32.793 323 H ALA 46 HN ALA 46 107.274 -0.239 29.284 324 HA ALA 46 HA ALA 46 107.396 1.995 31.020 325 HB1 ALA 46 HB1 ALA 46 108.351 2.344 28.899 326 HB2 ALA 46 HB2 ALA 46 106.870 3.296 28.811 327 HB3 ALA 46 HB3 ALA 46 106.942 1.702 28.058 328 H GLY 47 HN GLY 47 104.717 0.904 28.929 329 HA2 GLY 47 HA2 GLY 47 102.433 0.884 29.925 330 HA3 GLY 47 HA1 GLY 47 102.818 2.422 30.694 331 H ALA 48 HN ALA 48 100.849 3.194 29.555 332 HA ALA 48 HA ALA 48 100.491 3.243 26.766 333 HB1 ALA 48 HB1 ALA 48 99.187 5.336 27.154 334 HB2 ALA 48 HB2 ALA 48 99.815 5.389 28.801 335 HB3 ALA 48 HB3 ALA 48 98.771 4.060 28.298 336 H GLY 49 HN GLY 49 101.073 4.822 25.161 337 HA2 GLY 49 HA2 GLY 49 102.771 7.067 25.680 338 HA3 GLY 49 HA1 GLY 49 103.764 5.689 25.203 339 H GLY 50 HN GLY 50 104.269 7.082 23.297 340 HA2 GLY 50 HA2 GLY 50 102.284 6.597 21.120 341 HA3 GLY 50 HA1 GLY 50 102.935 8.223 21.333 342 H LEU 51 HN LEU 51 103.333 5.465 19.584 343 HA LEU 51 HA LEU 51 106.300 5.697 19.355 344 HB2 LEU 51 HB2 LEU 51 105.184 3.433 19.602 345 HB3 LEU 51 HB1 LEU 51 104.432 3.711 18.034 346 HG LEU 51 HG LEU 51 106.893 4.158 17.215 347 HD11 LEU 51 HD11 LEU 51 107.331 2.582 19.770 348 HD12 LEU 51 HD12 LEU 51 108.024 4.148 19.354 349 HD13 LEU 51 HD13 LEU 51 108.521 2.704 18.477 350 HD21 LEU 51 HD21 LEU 51 107.187 1.700 16.823 351 HD22 LEU 51 HD22 LEU 51 105.568 2.276 16.429 352 HD23 LEU 51 HD23 LEU 51 105.850 1.402 17.935 353 H SER 52 HN SER 52 106.612 7.533 18.079 354 HA SER 52 HA SER 52 104.993 7.977 15.667 355 HB2 SER 52 HB2 SER 52 107.495 9.466 16.443 356 HB3 SER 52 HB1 SER 52 106.147 10.038 15.466 357 HG SER 52 HG SER 52 106.464 10.358 18.023 358 H ILE 53 HN ILE 53 105.764 7.606 13.487 359 HA ILE 53 HA ILE 53 108.525 6.443 13.296 360 HB ILE 53 HB ILE 53 106.039 5.392 11.921 361 HG12 ILE 53 HG12 ILE 53 107.777 4.041 14.003 362 HG13 ILE 53 HG11 ILE 53 106.287 4.895 14.403 363 HG21 ILE 53 HG21 ILE 53 108.967 4.674 11.778 364 HG22 ILE 53 HG22 ILE 53 107.865 5.044 10.453 365 HG23 ILE 53 HG23 ILE 53 107.708 3.523 11.330 366 HD11 ILE 53 HD11 ILE 53 104.992 3.409 12.979 367 HD12 ILE 53 HD12 ILE 53 105.949 2.435 14.095 368 HD13 ILE 53 HD13 ILE 53 106.462 2.612 12.417 369 H ALA 54 HN ALA 54 109.658 7.739 11.968 370 HA ALA 54 HA ALA 54 108.249 9.154 9.732 371 HB1 ALA 54 HB1 ALA 54 111.013 9.740 10.824 372 HB2 ALA 54 HB2 ALA 54 109.556 10.487 11.480 373 HB3 ALA 54 HB3 ALA 54 110.014 10.772 9.801 374 H VAL 55 HN VAL 55 108.396 7.837 7.949 375 HA VAL 55 HA VAL 55 110.976 6.426 7.413 376 HB VAL 55 HB VAL 55 109.328 5.347 5.594 377 HG11 VAL 55 HG11 VAL 55 110.468 4.146 7.460 378 HG12 VAL 55 HG12 VAL 55 108.827 3.563 7.184 379 HG13 VAL 55 HG13 VAL 55 109.163 4.641 8.538 380 HG21 VAL 55 HG21 VAL 55 107.046 5.326 6.221 381 HG22 VAL 55 HG22 VAL 55 107.522 7.014 6.393 382 HG23 VAL 55 HG23 VAL 55 107.388 5.988 7.819 383 H GLU 56 HN GLU 56 112.160 6.908 5.597 384 HA GLU 56 HA GLU 56 110.953 8.746 3.566 385 HB2 GLU 56 HB2 GLU 56 112.368 10.129 5.020 386 HB3 GLU 56 HB1 GLU 56 113.704 9.015 4.820 387 HG2 GLU 56 HG2 GLU 56 114.171 10.760 3.281 388 HG3 GLU 56 HG1 GLU 56 113.495 9.494 2.276 389 H GLY 57 HN GLY 57 111.568 8.274 1.471 390 HA2 GLY 57 HA2 GLY 57 113.768 6.757 0.617 391 HA3 GLY 57 HA1 GLY 57 112.474 5.602 0.931 392 HA PRO 58 HA PRO 58 112.045 7.515 -3.359 393 HB2 PRO 58 HB2 PRO 58 111.888 4.838 -4.460 394 HB3 PRO 58 HB1 PRO 58 113.128 6.070 -4.708 395 HG2 PRO 58 HG2 PRO 58 113.363 3.639 -3.171 396 HG3 PRO 58 HG1 PRO 58 114.601 4.880 -3.417 397 HD2 PRO 58 HD2 PRO 58 113.041 4.363 -1.014 398 HD3 PRO 58 HD1 PRO 58 114.343 5.545 -1.243 399 H SER 59 HN SER 59 110.485 5.078 -1.470 400 HA SER 59 HA SER 59 107.852 5.923 -2.607 401 HB2 SER 59 HB2 SER 59 108.868 3.084 -2.431 402 HB3 SER 59 HB1 SER 59 107.156 3.473 -2.565 403 HG SER 59 HG SER 59 109.226 4.246 -4.356 404 H LYS 60 HN LYS 60 106.026 5.166 -1.210 405 HA LYS 60 HA LYS 60 106.762 5.514 1.623 406 HB2 LYS 60 HB2 LYS 60 103.971 5.072 0.554 407 HB3 LYS 60 HB1 LYS 60 104.466 5.949 2.002 408 HG2 LYS 60 HG2 LYS 60 105.605 7.628 0.536 409 HG3 LYS 60 HG1 LYS 60 104.950 6.787 -0.870 410 HD2 LYS 60 HD2 LYS 60 102.678 7.231 -0.154 411 HD3 LYS 60 HD1 LYS 60 103.247 7.907 1.372 412 HE2 LYS 60 HE2 LYS 60 102.645 9.662 -0.310 413 HE3 LYS 60 HE1 LYS 60 104.327 9.752 0.211 414 HZ1 LYS 60 HZ1 LYS 60 104.339 9.927 -2.123 415 HZ2 LYS 60 HZ2 LYS 60 103.263 8.625 -2.314 416 HZ3 LYS 60 HZ3 LYS 60 104.853 8.347 -1.783 417 H ALA 61 HN ALA 61 107.516 3.636 2.525 418 HA ALA 61 HA ALA 61 106.648 1.008 1.747 419 HB1 ALA 61 HB1 ALA 61 108.116 2.077 4.162 420 HB2 ALA 61 HB2 ALA 61 108.775 1.168 2.803 421 HB3 ALA 61 HB3 ALA 61 107.738 0.365 3.981 422 H GLU 62 HN GLU 62 104.589 0.303 2.081 423 HA GLU 62 HA GLU 62 102.693 1.428 3.834 424 HB2 GLU 62 HB2 GLU 62 102.854 -1.482 2.992 425 HB3 GLU 62 HB1 GLU 62 101.408 -0.623 3.525 426 HG2 GLU 62 HG2 GLU 62 103.049 0.163 1.099 427 HG3 GLU 62 HG1 GLU 62 101.586 -0.821 1.026 428 H ILE 63 HN ILE 63 101.716 0.131 5.761 429 HA ILE 63 HA ILE 63 103.790 -1.234 7.405 430 HB ILE 63 HB ILE 63 102.190 1.201 8.272 431 HG12 ILE 63 HG12 ILE 63 105.192 0.714 8.206 432 HG13 ILE 63 HG11 ILE 63 104.311 1.607 6.970 433 HG21 ILE 63 HG21 ILE 63 103.453 0.820 10.458 434 HG22 ILE 63 HG22 ILE 63 103.862 -0.778 9.839 435 HG23 ILE 63 HG23 ILE 63 102.176 -0.343 10.110 436 HD11 ILE 63 HD11 ILE 63 103.440 3.057 8.943 437 HD12 ILE 63 HD12 ILE 63 105.095 3.306 8.388 438 HD13 ILE 63 HD13 ILE 63 104.785 2.360 9.844 439 H ALA 64 HN ALA 64 102.768 -2.551 9.157 440 HA ALA 64 HA ALA 64 99.813 -2.690 9.075 441 HB1 ALA 64 HB1 ALA 64 101.188 -5.324 8.737 442 HB2 ALA 64 HB2 ALA 64 101.074 -4.288 7.317 443 HB3 ALA 64 HB3 ALA 64 99.609 -4.799 8.154 444 H PHE 65 HN PHE 65 99.122 -4.552 10.676 445 HA PHE 65 HA PHE 65 101.044 -4.768 12.952 446 HB2 PHE 65 HB2 PHE 65 99.275 -4.136 14.537 447 HB3 PHE 65 HB1 PHE 65 99.557 -2.824 13.393 448 HD1 PHE 65 HD1 PHE 65 97.952 -2.365 11.574 449 HD2 PHE 65 HD2 PHE 65 97.217 -5.421 14.503 450 HE1 PHE 65 HE1 PHE 65 95.571 -2.454 10.884 451 HE2 PHE 65 HE2 PHE 65 94.836 -5.509 13.812 452 HZ PHE 65 HZ PHE 65 94.014 -4.026 12.003 453 H GLU 66 HN GLU 66 101.132 -6.864 13.583 454 HA GLU 66 HA GLU 66 98.675 -8.548 13.407 455 HB2 GLU 66 HB2 GLU 66 99.971 -8.950 11.336 456 HB3 GLU 66 HB1 GLU 66 101.389 -9.345 12.308 457 HG2 GLU 66 HG2 GLU 66 100.269 -11.255 13.284 458 HG3 GLU 66 HG1 GLU 66 98.744 -10.808 12.516 459 H ASP 67 HN ASP 67 98.402 -9.530 15.337 460 HA ASP 67 HA ASP 67 100.738 -9.782 17.179 461 HB2 ASP 67 HB2 ASP 67 98.901 -10.298 18.868 462 HB3 ASP 67 HB1 ASP 67 98.878 -8.665 18.202 463 H ARG 68 HN ARG 68 101.751 -11.709 16.642 464 HA ARG 68 HA ARG 68 100.124 -14.119 16.089 465 HB2 ARG 68 HB2 ARG 68 102.091 -13.764 14.699 466 HB3 ARG 68 HB1 ARG 68 103.121 -13.649 16.127 467 HG2 ARG 68 HG2 ARG 68 102.817 -15.948 16.662 468 HG3 ARG 68 HG1 ARG 68 101.456 -16.105 15.551 469 HD2 ARG 68 HD2 ARG 68 104.228 -15.379 14.592 470 HD3 ARG 68 HD1 ARG 68 103.700 -17.055 14.747 471 HE ARG 68 HE ARG 68 101.695 -15.864 13.250 472 HH11 ARG 68 HH21 ARG 68 105.129 -16.121 13.085 473 HH12 ARG 68 HH22 ARG 68 105.184 -16.059 11.355 474 HH21 ARG 68 HH11 ARG 68 101.746 -15.781 10.993 475 HH22 ARG 68 HH12 ARG 68 103.267 -15.866 10.170 476 H LYS 69 HN LYS 69 101.647 -12.602 18.764 477 HA LYS 69 HA LYS 69 101.353 -15.113 20.387 478 HB2 LYS 69 HB2 LYS 69 103.415 -12.921 20.784 479 HB3 LYS 69 HB1 LYS 69 103.263 -14.401 21.725 480 HG2 LYS 69 HG2 LYS 69 103.640 -14.588 18.740 481 HG3 LYS 69 HG1 LYS 69 105.033 -14.271 19.767 482 HD2 LYS 69 HD2 LYS 69 103.184 -16.542 20.480 483 HD3 LYS 69 HD1 LYS 69 104.356 -16.764 19.185 484 HE2 LYS 69 HE2 LYS 69 105.219 -15.663 21.857 485 HE3 LYS 69 HE1 LYS 69 105.070 -17.400 21.600 486 HZ1 LYS 69 HZ1 LYS 69 106.419 -16.484 19.405 487 HZ2 LYS 69 HZ2 LYS 69 107.093 -17.305 20.732 488 HZ3 LYS 69 HZ3 LYS 69 107.090 -15.606 20.692 489 H ASP 70 HN ASP 70 100.021 -12.196 19.815 490 HA ASP 70 HA ASP 70 98.488 -10.939 21.081 491 HB2 ASP 70 HB2 ASP 70 98.344 -13.349 22.294 492 HB3 ASP 70 HB1 ASP 70 99.077 -12.445 23.613 493 H GLY 71 HN GLY 71 101.734 -11.547 21.964 494 HA2 GLY 71 HA2 GLY 71 101.868 -8.951 23.459 495 HA3 GLY 71 HA1 GLY 71 102.832 -10.355 23.911 496 H SER 72 HN SER 72 102.996 -10.890 20.857 497 HA SER 72 HA SER 72 105.423 -9.219 20.450 498 HB2 SER 72 HB2 SER 72 105.673 -11.635 20.119 499 HB3 SER 72 HB1 SER 72 104.355 -11.633 18.950 500 HG SER 72 HG SER 72 106.659 -11.481 18.185 501 H CYS 73 HN CYS 73 104.699 -7.239 19.671 502 HA CYS 73 HA CYS 73 102.517 -6.990 17.786 503 HB2 CYS 73 HB2 CYS 73 103.240 -5.164 19.338 504 HB3 CYS 73 HB1 CYS 73 104.723 -5.001 18.398 505 HG CYS 73 HG CYS 73 102.771 -3.333 17.551 506 H GLY 74 HN GLY 74 102.716 -7.797 15.756 507 HA2 GLY 74 HA2 GLY 74 105.364 -7.832 14.425 508 HA3 GLY 74 HA1 GLY 74 103.903 -8.628 13.843 509 H VAL 75 HN VAL 75 105.926 -6.049 13.322 510 HA VAL 75 HA VAL 75 103.808 -4.308 12.120 511 HB VAL 75 HB VAL 75 106.778 -3.807 12.453 512 HG11 VAL 75 HG11 VAL 75 106.097 -1.444 12.053 513 HG12 VAL 75 HG12 VAL 75 104.452 -1.997 11.746 514 HG13 VAL 75 HG13 VAL 75 105.760 -2.479 10.666 515 HG21 VAL 75 HG21 VAL 75 105.803 -3.973 14.647 516 HG22 VAL 75 HG22 VAL 75 104.387 -3.047 14.149 517 HG23 VAL 75 HG23 VAL 75 105.955 -2.253 14.287 518 H SER 76 HN SER 76 103.282 -5.218 10.163 519 HA SER 76 HA SER 76 105.456 -6.182 8.398 520 HB2 SER 76 HB2 SER 76 102.736 -6.211 7.265 521 HB3 SER 76 HB1 SER 76 103.868 -7.540 7.475 522 HG SER 76 HG SER 76 103.102 -7.900 9.459 523 H TYR 77 HN TYR 77 106.121 -5.111 6.595 524 HA TYR 77 HA TYR 77 104.643 -2.649 5.765 525 HB2 TYR 77 HB2 TYR 77 106.725 -1.386 5.666 526 HB3 TYR 77 HB1 TYR 77 106.577 -2.060 7.286 527 HD1 TYR 77 HD2 TYR 77 107.653 -4.469 7.587 528 HD2 TYR 77 HD1 TYR 77 108.735 -1.681 4.511 529 HE1 TYR 77 HE2 TYR 77 109.818 -5.623 7.301 530 HE2 TYR 77 HE1 TYR 77 110.910 -2.833 4.229 531 HH TYR 77 HH TYR 77 112.309 -4.355 5.121 532 H VAL 78 HN VAL 78 105.435 -1.927 3.559 533 HA VAL 78 HA VAL 78 106.630 -4.141 1.949 534 HB VAL 78 HB VAL 78 104.124 -2.713 1.077 535 HG11 VAL 78 HG11 VAL 78 105.404 -3.710 -0.722 536 HG12 VAL 78 HG12 VAL 78 103.977 -4.704 -0.435 537 HG13 VAL 78 HG13 VAL 78 105.548 -5.223 0.172 538 HG21 VAL 78 HG21 VAL 78 104.441 -5.253 2.667 539 HG22 VAL 78 HG22 VAL 78 103.020 -4.961 1.667 540 HG23 VAL 78 HG23 VAL 78 103.395 -3.877 3.006 541 H VAL 79 HN VAL 79 108.373 -3.134 1.120 542 HA VAL 79 HA VAL 79 108.330 -0.269 0.456 543 HB VAL 79 HB VAL 79 110.731 -0.863 -0.327 544 HG11 VAL 79 HG11 VAL 79 109.631 -0.985 2.478 545 HG12 VAL 79 HG12 VAL 79 110.669 0.231 1.740 546 HG13 VAL 79 HG13 VAL 79 111.342 -1.320 2.234 547 HG21 VAL 79 HG21 VAL 79 111.590 -2.994 0.279 548 HG22 VAL 79 HG22 VAL 79 110.039 -3.359 -0.465 549 HG23 VAL 79 HG23 VAL 79 110.202 -3.368 1.292 550 H GLN 80 HN GLN 80 108.765 0.527 -1.715 551 HA GLN 80 HA GLN 80 107.564 -1.224 -3.778 552 HB2 GLN 80 HB2 GLN 80 106.932 1.256 -3.330 553 HB3 GLN 80 HB1 GLN 80 108.416 1.637 -4.201 554 HG2 GLN 80 HG2 GLN 80 106.716 1.635 -5.863 555 HG3 GLN 80 HG1 GLN 80 107.541 0.087 -6.052 556 HE21 GLN 80 HE21 GLN 80 104.644 1.565 -4.522 557 HE22 GLN 80 HE22 GLN 80 103.721 0.140 -4.541 558 H GLU 81 HN GLU 81 110.567 0.774 -3.429 559 HA GLU 81 HA GLU 81 111.898 -1.177 -5.208 560 HB2 GLU 81 HB2 GLU 81 111.709 1.782 -5.790 561 HB3 GLU 81 HB1 GLU 81 112.832 0.708 -6.611 562 HG2 GLU 81 HG2 GLU 81 109.806 0.469 -6.630 563 HG3 GLU 81 HG1 GLU 81 110.813 1.027 -7.958 564 HA PRO 82 HA PRO 82 115.558 -0.918 -2.742 565 HB2 PRO 82 HB2 PRO 82 116.900 -0.101 -5.284 566 HB3 PRO 82 HB1 PRO 82 117.385 -1.319 -4.092 567 HG2 PRO 82 HG2 PRO 82 116.159 -2.005 -6.439 568 HG3 PRO 82 HG1 PRO 82 115.969 -2.909 -4.943 569 HD2 PRO 82 HD2 PRO 82 113.957 -1.278 -6.305 570 HD3 PRO 82 HD1 PRO 82 113.754 -2.471 -5.017 571 H GLY 83 HN GLY 83 117.306 0.520 -2.160 572 HA2 GLY 83 HA2 GLY 83 118.056 3.006 -2.668 573 HA3 GLY 83 HA1 GLY 83 116.396 3.360 -2.178 574 H ASP 84 HN ASP 84 117.841 4.587 -0.507 575 HA ASP 84 HA ASP 84 118.600 2.801 1.766 576 HB2 ASP 84 HB2 ASP 84 119.119 5.778 1.633 577 HB3 ASP 84 HB1 ASP 84 119.982 4.544 2.551 578 H TYR 85 HN TYR 85 116.461 2.411 2.505 579 HA TYR 85 HA TYR 85 114.621 4.602 2.988 580 HB2 TYR 85 HB2 TYR 85 114.673 1.660 3.317 581 HB3 TYR 85 HB1 TYR 85 113.672 2.496 4.506 582 HD1 TYR 85 HD2 TYR 85 111.756 3.885 3.763 583 HD2 TYR 85 HD1 TYR 85 114.083 1.571 0.994 584 HE1 TYR 85 HE2 TYR 85 109.971 4.129 2.062 585 HE2 TYR 85 HE1 TYR 85 112.302 1.813 -0.710 586 HH TYR 85 HH TYR 85 110.164 2.451 -1.056 587 H GLU 86 HN GLU 86 114.442 5.791 4.802 588 HA GLU 86 HA GLU 86 116.257 5.143 7.110 589 HB2 GLU 86 HB2 GLU 86 115.367 7.927 7.098 590 HB3 GLU 86 HB1 GLU 86 117.009 7.302 7.015 591 HG2 GLU 86 HG2 GLU 86 115.226 7.382 4.566 592 HG3 GLU 86 HG1 GLU 86 116.197 8.763 5.051 593 H VAL 87 HN VAL 87 115.117 4.418 8.809 594 HA VAL 87 HA VAL 87 112.321 5.434 9.223 595 HB VAL 87 HB VAL 87 112.594 2.997 8.732 596 HG11 VAL 87 HG11 VAL 87 113.827 2.775 11.473 597 HG12 VAL 87 HG12 VAL 87 114.824 2.912 10.024 598 HG13 VAL 87 HG13 VAL 87 113.719 1.550 10.209 599 HG21 VAL 87 HG21 VAL 87 110.730 3.983 10.143 600 HG22 VAL 87 HG22 VAL 87 111.664 3.524 11.566 601 HG23 VAL 87 HG23 VAL 87 111.072 2.283 10.460 602 H SER 88 HN SER 88 111.773 6.223 11.230 603 HA SER 88 HA SER 88 113.836 6.170 13.383 604 HB2 SER 88 HB2 SER 88 114.096 8.332 12.278 605 HB3 SER 88 HB1 SER 88 112.361 8.617 12.377 606 HG SER 88 HG SER 88 114.262 9.091 14.201 607 H ILE 89 HN ILE 89 112.779 4.969 14.872 608 HA ILE 89 HA ILE 89 109.925 5.638 15.472 609 HB ILE 89 HB ILE 89 109.587 3.406 16.095 610 HG12 ILE 89 HG12 ILE 89 112.596 3.288 16.381 611 HG13 ILE 89 HG11 ILE 89 111.379 2.998 17.618 612 HG21 ILE 89 HG21 ILE 89 110.225 2.155 14.174 613 HG22 ILE 89 HG22 ILE 89 111.698 3.100 13.955 614 HG23 ILE 89 HG23 ILE 89 110.126 3.827 13.625 615 HD11 ILE 89 HD11 ILE 89 112.154 1.215 15.309 616 HD12 ILE 89 HD12 ILE 89 110.609 1.024 16.137 617 HD13 ILE 89 HD13 ILE 89 112.117 0.829 17.029 618 H LYS 90 HN LYS 90 109.395 6.306 17.513 619 HA LYS 90 HA LYS 90 111.412 6.099 19.686 620 HB2 LYS 90 HB2 LYS 90 110.938 8.422 20.322 621 HB3 LYS 90 HB1 LYS 90 111.606 8.368 18.702 622 HG2 LYS 90 HG2 LYS 90 108.916 8.158 18.143 623 HG3 LYS 90 HG1 LYS 90 108.864 9.136 19.600 624 HD2 LYS 90 HD2 LYS 90 109.002 10.667 17.759 625 HD3 LYS 90 HD1 LYS 90 110.592 10.657 18.518 626 HE2 LYS 90 HE2 LYS 90 110.231 8.629 16.376 627 HE3 LYS 90 HE1 LYS 90 110.208 10.304 15.829 628 HZ1 LYS 90 HZ1 LYS 90 112.373 8.779 17.050 629 HZ2 LYS 90 HZ2 LYS 90 112.267 10.428 17.448 630 HZ3 LYS 90 HZ3 LYS 90 112.425 9.950 15.825 631 H PHE 91 HN PHE 91 110.355 5.132 21.394 632 HA PHE 91 HA PHE 91 107.409 5.102 21.407 633 HB2 PHE 91 HB2 PHE 91 108.797 3.130 22.164 634 HB3 PHE 91 HB1 PHE 91 109.292 4.083 23.557 635 HD1 PHE 91 HD1 PHE 91 106.159 3.150 21.718 636 HD2 PHE 91 HD2 PHE 91 108.023 3.880 25.522 637 HE1 PHE 91 HE1 PHE 91 104.050 2.547 22.866 638 HE2 PHE 91 HE2 PHE 91 105.903 3.271 26.671 639 HZ PHE 91 HZ PHE 91 103.922 2.604 25.340 640 H ASN 92 HN ASN 92 106.671 7.154 21.804 641 HA ASN 92 HA ASN 92 106.070 8.995 23.110 642 HB2 ASN 92 HB2 ASN 92 106.226 7.119 24.971 643 HB3 ASN 92 HB1 ASN 92 107.698 7.971 25.435 644 HD21 ASN 92 HD21 ASN 92 104.281 8.794 24.574 645 HD22 ASN 92 HD22 ASN 92 104.124 9.997 25.761 646 H ASP 93 HN ASP 93 108.384 9.019 21.416 647 HA ASP 93 HA ASP 93 110.013 10.620 20.910 648 HB2 ASP 93 HB2 ASP 93 109.995 11.723 23.704 649 HB3 ASP 93 HB1 ASP 93 110.295 12.533 22.170 650 H GLU 94 HN GLU 94 110.406 7.982 22.643 651 HA GLU 94 HA GLU 94 113.192 8.656 23.551 652 HB2 GLU 94 HB2 GLU 94 113.209 6.541 24.726 653 HB3 GLU 94 HB1 GLU 94 111.753 7.421 25.168 654 HG2 GLU 94 HG2 GLU 94 110.707 5.445 24.705 655 HG3 GLU 94 HG1 GLU 94 110.823 5.985 23.035 656 H HIS 95 HN HIS 95 114.301 8.739 21.661 657 HA HIS 95 HA HIS 95 113.854 7.004 19.430 658 HB2 HIS 95 HB2 HIS 95 116.348 8.580 20.123 659 HB3 HIS 95 HB1 HIS 95 115.915 7.957 18.530 660 HD1 HIS 95 HD1 HIS 95 113.999 9.984 21.150 661 HD2 HIS 95 HD2 HIS 95 114.859 10.039 17.071 662 HE1 HIS 95 HE1 HIS 95 112.794 11.995 20.191 663 H ILE 96 HN ILE 96 114.041 4.835 19.810 664 HA ILE 96 HA ILE 96 115.865 3.528 21.510 665 HB ILE 96 HB ILE 96 113.972 2.379 20.454 666 HG12 ILE 96 HG12 ILE 96 116.691 1.251 19.693 667 HG13 ILE 96 HG11 ILE 96 115.704 0.849 21.097 668 HG21 ILE 96 HG21 ILE 96 114.075 3.665 18.336 669 HG22 ILE 96 HG22 ILE 96 113.912 1.941 18.051 670 HG23 ILE 96 HG23 ILE 96 115.478 2.723 17.849 671 HD11 ILE 96 HD11 ILE 96 115.139 0.172 18.207 672 HD12 ILE 96 HD12 ILE 96 113.947 -0.009 19.494 673 HD13 ILE 96 HD13 ILE 96 115.440 -0.945 19.537 674 HA PRO 97 HA PRO 97 119.843 4.566 19.780 675 HB2 PRO 97 HB2 PRO 97 120.612 1.701 19.909 676 HB3 PRO 97 HB1 PRO 97 121.370 3.104 20.681 677 HG2 PRO 97 HG2 PRO 97 119.710 1.210 21.976 678 HG3 PRO 97 HG1 PRO 97 120.185 2.786 22.628 679 HD2 PRO 97 HD2 PRO 97 117.555 1.963 21.742 680 HD3 PRO 97 HD1 PRO 97 118.022 3.529 22.422 681 H ASP 98 HN ASP 98 118.193 1.663 18.501 682 HA ASP 98 HA ASP 98 119.513 1.423 16.021 683 HB2 ASP 98 HB2 ASP 98 116.535 1.176 16.491 684 HB3 ASP 98 HB1 ASP 98 117.436 0.491 15.139 685 H SER 99 HN SER 99 116.456 3.185 16.415 686 HA SER 99 HA SER 99 116.626 4.506 13.967 687 HB2 SER 99 HB2 SER 99 115.143 6.277 15.238 688 HB3 SER 99 HB1 SER 99 114.532 4.640 14.999 689 HG SER 99 HG SER 99 115.628 5.845 17.296 690 HA PRO 100 HA PRO 100 116.457 6.259 12.768 691 HB2 PRO 100 HB2 PRO 100 118.080 7.867 11.175 692 HB3 PRO 100 HB1 PRO 100 116.739 8.467 12.162 693 HG2 PRO 100 HG2 PRO 100 119.631 8.838 12.584 694 HG3 PRO 100 HG1 PRO 100 118.280 9.684 13.355 695 HD2 PRO 100 HD2 PRO 100 119.908 7.552 14.470 696 HD3 PRO 100 HD1 PRO 100 118.575 8.428 15.252 697 H PHE 101 HN PHE 101 116.957 4.136 11.821 698 HA PHE 101 HA PHE 101 119.816 3.780 10.911 699 HB2 PHE 101 HB2 PHE 101 119.486 1.361 11.048 700 HB3 PHE 101 HB1 PHE 101 119.249 2.134 12.607 701 HD1 PHE 101 HD2 PHE 101 117.592 0.381 9.811 702 HD2 PHE 101 HD1 PHE 101 117.064 2.244 13.615 703 HE1 PHE 101 HE2 PHE 101 115.372 -0.706 10.051 704 HE2 PHE 101 HE1 PHE 101 114.887 1.162 13.887 705 HZ PHE 101 HZ PHE 101 114.014 -0.318 12.091 706 H VAL 102 HN VAL 102 120.165 2.655 8.928 707 HA VAL 102 HA VAL 102 118.171 3.426 6.911 708 HB VAL 102 HB VAL 102 120.521 3.955 6.498 709 HG11 VAL 102 HG11 VAL 102 122.177 2.172 6.202 710 HG12 VAL 102 HG12 VAL 102 120.956 0.953 6.567 711 HG13 VAL 102 HG13 VAL 102 121.479 2.080 7.818 712 HG21 VAL 102 HG21 VAL 102 120.675 3.092 4.259 713 HG22 VAL 102 HG22 VAL 102 118.957 3.282 4.609 714 HG23 VAL 102 HG23 VAL 102 119.698 1.683 4.670 715 H VAL 103 HN VAL 103 117.165 2.001 5.506 716 HA VAL 103 HA VAL 103 117.327 -0.918 6.181 717 HB VAL 103 HB VAL 103 114.965 0.814 5.435 718 HG11 VAL 103 HG11 VAL 103 113.748 -1.500 5.697 719 HG12 VAL 103 HG12 VAL 103 115.328 -2.180 5.314 720 HG13 VAL 103 HG13 VAL 103 114.521 -1.118 4.162 721 HG21 VAL 103 HG21 VAL 103 115.785 0.607 7.842 722 HG22 VAL 103 HG22 VAL 103 115.341 -1.098 7.748 723 HG23 VAL 103 HG23 VAL 103 114.104 0.146 7.568 724 HA PRO 104 HA PRO 104 118.647 -0.167 1.814 725 HB2 PRO 104 HB2 PRO 104 120.215 -2.602 1.930 726 HB3 PRO 104 HB1 PRO 104 120.796 -0.932 1.865 727 HG2 PRO 104 HG2 PRO 104 120.900 -2.705 4.121 728 HG3 PRO 104 HG1 PRO 104 121.364 -0.997 4.084 729 HD2 PRO 104 HD2 PRO 104 118.981 -2.209 5.274 730 HD3 PRO 104 HD1 PRO 104 119.556 -0.535 5.420 731 H VAL 105 HN VAL 105 116.953 -0.703 0.518 732 HA VAL 105 HA VAL 105 115.872 -3.484 0.542 733 HB VAL 105 HB VAL 105 114.922 -0.866 -0.664 734 HG11 VAL 105 HG11 VAL 105 114.339 -2.788 -2.161 735 HG12 VAL 105 HG12 VAL 105 112.920 -2.072 -1.407 736 HG13 VAL 105 HG13 VAL 105 113.578 -3.581 -0.788 737 HG21 VAL 105 HG21 VAL 105 113.591 -2.617 1.388 738 HG22 VAL 105 HG22 VAL 105 113.211 -0.950 0.961 739 HG23 VAL 105 HG23 VAL 105 114.702 -1.320 1.821 740 H ALA 106 HN ALA 106 116.187 -4.805 -1.334 741 HA ALA 106 HA ALA 106 117.807 -3.602 -3.571 742 HB1 ALA 106 HB1 ALA 106 119.513 -5.089 -3.274 743 HB2 ALA 106 HB2 ALA 106 118.441 -6.396 -2.767 744 HB3 ALA 106 HB3 ALA 106 118.903 -5.137 -1.624 745 H SER 107 HN SER 107 117.174 -4.161 -5.562 746 HA SER 107 HA SER 107 115.037 -6.207 -5.921 747 HB2 SER 107 HB2 SER 107 114.730 -3.838 -6.819 748 HB3 SER 107 HB1 SER 107 116.050 -4.172 -7.933 749 HG SER 107 HG SER 107 114.049 -6.083 -7.787 750 H LEU 108 HN LEU 108 116.532 -7.951 -5.759 751 HA LEU 108 HA LEU 108 117.940 -9.595 -6.659 752 HB2 LEU 108 HB2 LEU 108 117.904 -8.079 -9.280 753 HB3 LEU 108 HB1 LEU 108 118.129 -9.804 -9.017 754 HG LEU 108 HG LEU 108 115.571 -8.226 -8.634 755 HD11 LEU 108 HD11 LEU 108 114.739 -9.864 -10.326 756 HD12 LEU 108 HD12 LEU 108 116.379 -10.498 -10.470 757 HD13 LEU 108 HD13 LEU 108 116.031 -8.836 -10.946 758 HD21 LEU 108 HD21 LEU 108 116.320 -11.052 -7.850 759 HD22 LEU 108 HD22 LEU 108 114.645 -10.557 -8.094 760 HD23 LEU 108 HD23 LEU 108 115.614 -9.797 -6.832 761 H SER 109 HN SER 109 118.645 -6.454 -6.167 762 HA SER 109 HA SER 109 121.438 -6.491 -7.139 763 HB2 SER 109 HB2 SER 109 119.939 -4.419 -7.151 764 HB3 SER 109 HB1 SER 109 120.162 -4.389 -5.403 765 HG SER 109 HG SER 109 122.481 -4.779 -6.800 766 H ASP 110 HN ASP 110 119.596 -7.057 -4.241 767 HA ASP 110 HA ASP 110 120.289 -7.658 -2.074 768 HB2 ASP 110 HB2 ASP 110 121.407 -9.467 -3.476 769 HB3 ASP 110 HB1 ASP 110 122.871 -8.484 -3.433 770 H ASP 111 HN ASP 111 121.304 -5.109 -3.645 771 HA ASP 111 HA ASP 111 122.573 -3.889 -1.359 772 HB2 ASP 111 HB2 ASP 111 124.437 -5.283 -2.444 773 HB3 ASP 111 HB1 ASP 111 124.340 -4.157 -3.798 774 H ALA 112 HN ALA 112 121.778 -3.789 -4.840 775 HA ALA 112 HA ALA 112 121.429 -1.861 -6.230 776 HB1 ALA 112 HB1 ALA 112 119.548 -0.476 -5.226 777 HB2 ALA 112 HB2 ALA 112 119.693 -1.490 -3.790 778 HB3 ALA 112 HB3 ALA 112 119.244 -2.210 -5.336 779 H ARG 113 HN ARG 113 123.664 -0.984 -5.909 780 HA ARG 113 HA ARG 113 123.978 1.144 -3.913 781 HB2 ARG 113 HB2 ARG 113 125.710 -0.194 -5.958 782 HB3 ARG 113 HB1 ARG 113 126.170 1.430 -5.457 783 HG2 ARG 113 HG2 ARG 113 126.177 0.720 -3.102 784 HG3 ARG 113 HG1 ARG 113 125.686 -0.905 -3.583 785 HD2 ARG 113 HD2 ARG 113 127.766 -1.070 -4.966 786 HD3 ARG 113 HD1 ARG 113 128.267 0.498 -4.334 787 HE ARG 113 HE ARG 113 127.758 -1.013 -2.062 788 HH11 ARG 113 HH21 ARG 113 129.666 -1.325 -4.918 789 HH12 ARG 113 HH22 ARG 113 130.891 -2.282 -4.154 790 HH21 ARG 113 HH11 ARG 113 129.347 -2.255 -1.049 791 HH22 ARG 113 HH12 ARG 113 130.712 -2.804 -1.962 792 H ARG 114 HN ARG 114 124.755 3.325 -4.672 793 HA ARG 114 HA ARG 114 123.094 4.273 -6.987 794 HB2 ARG 114 HB2 ARG 114 122.632 5.136 -4.623 795 HB3 ARG 114 HB1 ARG 114 124.216 5.907 -4.697 796 HG2 ARG 114 HG2 ARG 114 123.558 7.325 -6.497 797 HG3 ARG 114 HG1 ARG 114 122.111 6.371 -6.822 798 HD2 ARG 114 HD2 ARG 114 121.701 8.541 -5.576 799 HD3 ARG 114 HD1 ARG 114 121.076 7.097 -4.778 800 HE ARG 114 HE ARG 114 123.611 7.393 -3.705 801 HH11 ARG 114 HH21 ARG 114 120.828 9.383 -4.124 802 HH12 ARG 114 HH22 ARG 114 121.118 10.319 -2.696 803 HH21 ARG 114 HH11 ARG 114 124.007 8.604 -1.838 804 HH22 ARG 114 HH12 ARG 114 122.919 9.879 -1.402 805 H LEU 115 HN LEU 115 126.131 3.389 -6.332 806 HA LEU 115 HA LEU 115 127.388 5.488 -8.076 807 HB2 LEU 115 HB2 LEU 115 128.830 3.906 -5.931 808 HB3 LEU 115 HB1 LEU 115 129.431 5.299 -6.827 809 HG LEU 115 HG LEU 115 127.050 5.396 -4.948 810 HD11 LEU 115 HD11 LEU 115 128.673 6.645 -3.462 811 HD12 LEU 115 HD12 LEU 115 129.967 6.081 -4.520 812 HD13 LEU 115 HD13 LEU 115 128.996 4.918 -3.618 813 HD21 LEU 115 HD21 LEU 115 127.630 7.888 -5.086 814 HD22 LEU 115 HD22 LEU 115 126.922 7.181 -6.536 815 HD23 LEU 115 HD23 LEU 115 128.659 7.472 -6.456 816 H THR 116 HN THR 116 126.995 2.125 -7.277 817 HA THR 116 HA THR 116 128.751 1.305 -9.560 818 HB THR 116 HB THR 116 127.668 -0.331 -7.244 819 HG1 THR 116 HG1 THR 116 129.331 1.108 -6.664 820 HG21 THR 116 HG21 THR 116 129.273 -2.047 -8.130 821 HG22 THR 116 HG22 THR 116 129.513 -1.021 -9.544 822 HG23 THR 116 HG23 THR 116 127.924 -1.712 -9.216 823 H VAL 117 HN VAL 117 126.021 -0.314 -8.017 824 HA VAL 117 HA VAL 117 124.827 -1.108 -10.503 825 HB VAL 117 HB VAL 117 123.708 -0.762 -7.706 826 HG11 VAL 117 HG11 VAL 117 121.806 -0.541 -9.132 827 HG12 VAL 117 HG12 VAL 117 121.818 -2.232 -8.634 828 HG13 VAL 117 HG13 VAL 117 122.399 -1.781 -10.236 829 HG21 VAL 117 HG21 VAL 117 125.316 -2.560 -7.877 830 HG22 VAL 117 HG22 VAL 117 124.568 -3.153 -9.359 831 HG23 VAL 117 HG23 VAL 117 123.710 -3.287 -7.824 832 H THR 118 HN THR 118 125.228 1.807 -8.973 833 HA THR 118 HA THR 118 124.168 3.882 -9.028 834 HB THR 118 HB THR 118 125.534 3.906 -10.996 835 HG1 THR 118 HG1 THR 118 124.552 5.615 -11.708 836 HG21 THR 118 HG21 THR 118 124.514 3.238 -13.220 837 HG22 THR 118 HG22 THR 118 123.218 2.463 -12.316 838 HG23 THR 118 HG23 THR 118 124.878 1.898 -12.138 839 H SER 119 HN SER 119 122.266 2.506 -8.026 840 HA SER 119 HA SER 119 119.952 2.567 -7.737 841 HB2 SER 119 HB2 SER 119 118.750 4.238 -8.799 842 HB3 SER 119 HB1 SER 119 120.377 4.809 -9.158 843 HG SER 119 HG SER 119 119.997 4.433 -11.183 844 H1 MET 1 HT1 MET 1 122.665 15.288 -16.110 845 H2 MET 1 HT2 MET 1 122.738 16.975 -15.922 846 H3 MET 1 HT3 MET 1 121.443 16.099 -15.257 847 HA MET 1 HA MET 1 124.286 15.974 -14.412 848 HB2 MET 1 HB2 MET 1 121.795 16.886 -12.939 849 HB3 MET 1 HB1 MET 1 123.448 16.924 -12.324 850 HG2 MET 1 HG2 MET 1 123.041 19.135 -13.081 851 HG3 MET 1 HG1 MET 1 123.994 18.392 -14.364 852 HE1 MET 1 HE1 MET 1 121.373 20.899 -14.146 853 HE2 MET 1 HE2 MET 1 120.748 19.659 -13.061 854 HE3 MET 1 HE3 MET 1 119.837 20.098 -14.504 855 H ALA 2 HN ALA 2 122.125 13.890 -15.308 856 HA ALA 2 HA ALA 2 121.522 11.726 -14.638 857 HB1 ALA 2 HB1 ALA 2 123.614 11.961 -12.472 858 HB2 ALA 2 HB2 ALA 2 124.066 11.770 -14.166 859 HB3 ALA 2 HB3 ALA 2 123.111 10.524 -13.363 860 H SER 3 HN SER 3 119.570 11.571 -13.654 861 HA SER 3 HA SER 3 117.879 11.840 -12.044 862 HB2 SER 3 HB2 SER 3 118.660 11.225 -9.706 863 HB3 SER 3 HB1 SER 3 119.027 10.040 -10.955 864 HG SER 3 HG SER 3 121.090 10.453 -10.736 865 H LYS 4 HN LYS 4 117.280 14.000 -12.114 866 HA LYS 4 HA LYS 4 118.697 16.258 -11.376 867 HB2 LYS 4 HB2 LYS 4 115.782 15.532 -11.227 868 HB3 LYS 4 HB1 LYS 4 116.293 17.085 -10.580 869 HG2 LYS 4 HG2 LYS 4 117.417 17.540 -12.807 870 HG3 LYS 4 HG1 LYS 4 116.645 16.076 -13.417 871 HD2 LYS 4 HD2 LYS 4 115.189 18.460 -12.233 872 HD3 LYS 4 HD1 LYS 4 115.318 18.100 -13.953 873 HE2 LYS 4 HE2 LYS 4 114.302 15.780 -13.298 874 HE3 LYS 4 HE1 LYS 4 113.795 16.611 -11.826 875 HZ1 LYS 4 HZ1 LYS 4 112.613 18.214 -13.117 876 HZ2 LYS 4 HZ2 LYS 4 112.127 16.668 -13.626 877 HZ3 LYS 4 HZ3 LYS 4 113.210 17.575 -14.570 878 HA PRO 5 HA PRO 5 119.503 16.058 -7.024 879 HB2 PRO 5 HB2 PRO 5 118.544 18.726 -6.376 880 HB3 PRO 5 HB1 PRO 5 120.215 18.187 -6.576 881 HG2 PRO 5 HG2 PRO 5 118.616 19.788 -8.407 882 HG3 PRO 5 HG1 PRO 5 120.323 19.341 -8.550 883 HD2 PRO 5 HD2 PRO 5 118.160 18.325 -10.119 884 HD3 PRO 5 HD1 PRO 5 119.838 17.753 -10.117 885 H GLU 6 HN GLU 6 117.883 17.645 -5.082 886 HA GLU 6 HA GLU 6 115.806 17.607 -3.974 887 HB2 GLU 6 HB2 GLU 6 114.905 17.341 -6.478 888 HB3 GLU 6 HB1 GLU 6 114.592 15.688 -5.951 889 HG2 GLU 6 HG2 GLU 6 113.338 16.604 -3.986 890 HG3 GLU 6 HG1 GLU 6 113.551 18.223 -4.653 891 H LYS 7 HN LYS 7 114.872 16.134 -2.453 892 HA LYS 7 HA LYS 7 116.561 13.817 -1.914 893 HB2 LYS 7 HB2 LYS 7 114.013 14.666 -0.513 894 HB3 LYS 7 HB1 LYS 7 115.267 13.602 0.124 895 HG2 LYS 7 HG2 LYS 7 116.898 15.458 0.004 896 HG3 LYS 7 HG1 LYS 7 115.633 16.527 -0.598 897 HD2 LYS 7 HD2 LYS 7 115.252 15.045 2.005 898 HD3 LYS 7 HD1 LYS 7 116.191 16.534 1.964 899 HE2 LYS 7 HE2 LYS 7 114.245 17.680 0.880 900 HE3 LYS 7 HE1 LYS 7 113.307 16.201 1.083 901 HZ1 LYS 7 HZ1 LYS 7 112.766 17.137 3.031 902 HZ2 LYS 7 HZ2 LYS 7 114.119 18.165 3.049 903 HZ3 LYS 7 HZ3 LYS 7 114.271 16.547 3.545 904 H ARG 8 HN ARG 8 114.518 12.110 -0.789 905 HA ARG 8 HA ARG 8 113.476 10.908 -3.318 906 HB2 ARG 8 HB2 ARG 8 113.427 9.572 -0.615 907 HB3 ARG 8 HB1 ARG 8 113.560 8.846 -2.216 908 HG2 ARG 8 HG2 ARG 8 115.820 9.927 -2.437 909 HG3 ARG 8 HG1 ARG 8 115.684 10.422 -0.749 910 HD2 ARG 8 HD2 ARG 8 115.514 8.116 -0.030 911 HD3 ARG 8 HD1 ARG 8 115.445 7.560 -1.692 912 HE ARG 8 HE ARG 8 117.849 8.967 -1.513 913 HH11 ARG 8 HH21 ARG 8 116.289 6.343 0.074 914 HH12 ARG 8 HH22 ARG 8 117.764 5.550 0.507 915 HH21 ARG 8 HH11 ARG 8 119.795 7.958 -0.948 916 HH22 ARG 8 HH12 ARG 8 119.755 6.469 -0.064 917 H VAL 9 HN VAL 9 111.355 9.518 -2.617 918 HA VAL 9 HA VAL 9 109.256 11.410 -2.241 919 HB VAL 9 HB VAL 9 109.435 8.401 -2.060 920 HG11 VAL 9 HG11 VAL 9 107.681 8.872 -0.501 921 HG12 VAL 9 HG12 VAL 9 106.873 8.487 -2.021 922 HG13 VAL 9 HG13 VAL 9 107.037 10.167 -1.511 923 HG21 VAL 9 HG21 VAL 9 108.071 8.528 -4.103 924 HG22 VAL 9 HG22 VAL 9 109.537 9.492 -4.279 925 HG23 VAL 9 HG23 VAL 9 107.995 10.283 -3.953 926 H ALA 10 HN ALA 10 107.790 11.504 -0.315 927 HA ALA 10 HA ALA 10 109.306 11.066 2.248 928 HB1 ALA 10 HB1 ALA 10 107.869 12.978 3.095 929 HB2 ALA 10 HB2 ALA 10 107.369 13.238 1.424 930 HB3 ALA 10 HB3 ALA 10 109.064 13.420 1.875 931 H SER 11 HN SER 11 108.233 10.121 3.963 932 HA SER 11 HA SER 11 105.333 9.508 3.687 933 HB2 SER 11 HB2 SER 11 106.389 7.533 2.748 934 HB3 SER 11 HB1 SER 11 107.515 7.438 4.097 935 HG SER 11 HG SER 11 105.235 6.254 3.941 936 H SER 12 HN SER 12 104.329 9.768 5.635 937 HA SER 12 HA SER 12 105.930 9.518 8.143 938 HB2 SER 12 HB2 SER 12 105.011 11.638 8.982 939 HB3 SER 12 HB1 SER 12 105.931 11.912 7.505 940 HG SER 12 HG SER 12 104.143 12.413 6.482 941 H VAL 13 HN VAL 13 104.843 8.147 9.431 942 HA VAL 13 HA VAL 13 101.991 8.459 9.921 943 HB VAL 13 HB VAL 13 101.825 7.178 7.886 944 HG11 VAL 13 HG11 VAL 13 103.863 5.346 9.174 945 HG12 VAL 13 HG12 VAL 13 104.109 6.357 7.750 946 HG13 VAL 13 HG13 VAL 13 103.005 4.983 7.676 947 HG21 VAL 13 HG21 VAL 13 101.600 5.106 10.073 948 HG22 VAL 13 HG22 VAL 13 100.579 5.312 8.652 949 HG23 VAL 13 HG23 VAL 13 100.484 6.469 9.977 950 H PHE 14 HN PHE 14 101.275 6.727 11.554 951 HA PHE 14 HA PHE 14 103.218 5.126 12.906 952 HB2 PHE 14 HB2 PHE 14 103.627 6.401 14.860 953 HB3 PHE 14 HB1 PHE 14 104.111 7.376 13.506 954 HD1 PHE 14 HD2 PHE 14 102.104 8.901 12.515 955 HD2 PHE 14 HD1 PHE 14 102.385 7.437 16.546 956 HE1 PHE 14 HE2 PHE 14 100.606 10.711 13.277 957 HE2 PHE 14 HE1 PHE 14 100.892 9.257 17.307 958 HZ PHE 14 HZ PHE 14 99.996 10.895 15.674 959 H ILE 15 HN ILE 15 102.429 5.015 15.440 960 HA ILE 15 HA ILE 15 99.466 4.905 15.549 961 HB ILE 15 HB ILE 15 99.759 2.605 16.636 962 HG12 ILE 15 HG12 ILE 15 102.401 3.036 16.570 963 HG13 ILE 15 HG11 ILE 15 101.738 1.413 16.447 964 HG21 ILE 15 HG21 ILE 15 99.894 1.474 14.345 965 HG22 ILE 15 HG22 ILE 15 100.147 3.090 13.686 966 HG23 ILE 15 HG23 ILE 15 98.654 2.712 14.545 967 HD11 ILE 15 HD11 ILE 15 102.155 1.269 14.150 968 HD12 ILE 15 HD12 ILE 15 103.548 2.186 14.721 969 HD13 ILE 15 HD13 ILE 15 102.206 3.017 13.941 970 H THR 16 HN THR 16 98.882 4.234 17.949 971 HA THR 16 HA THR 16 100.951 5.112 19.894 972 HB THR 16 HB THR 16 99.557 6.823 20.867 973 HG1 THR 16 HG1 THR 16 97.497 6.652 20.632 974 HG21 THR 16 HG21 THR 16 99.408 7.170 17.864 975 HG22 THR 16 HG22 THR 16 100.885 7.393 18.801 976 HG23 THR 16 HG23 THR 16 99.496 8.442 19.081 977 H LEU 17 HN LEU 17 100.700 4.122 21.884 978 HA LEU 17 HA LEU 17 98.575 2.065 22.074 979 HB2 LEU 17 HB2 LEU 17 100.770 2.609 24.084 980 HB3 LEU 17 HB1 LEU 17 99.873 1.112 23.834 981 HG LEU 17 HG LEU 17 101.891 2.365 21.952 982 HD11 LEU 17 HD11 LEU 17 102.665 1.009 23.968 983 HD12 LEU 17 HD12 LEU 17 103.208 0.414 22.399 984 HD13 LEU 17 HD13 LEU 17 101.870 -0.380 23.228 985 HD21 LEU 17 HD21 LEU 17 100.219 1.477 20.516 986 HD22 LEU 17 HD22 LEU 17 99.924 0.098 21.575 987 HD23 LEU 17 HD23 LEU 17 101.415 0.187 20.638 988 H ALA 18 HN ALA 18 96.836 2.260 23.427 989 HA ALA 18 HA ALA 18 96.835 3.974 25.765 990 HB1 ALA 18 HB1 ALA 18 95.236 5.637 24.969 991 HB2 ALA 18 HB2 ALA 18 95.220 4.887 23.373 992 HB3 ALA 18 HB3 ALA 18 96.684 5.674 23.962 993 HA PRO 19 HA PRO 19 93.799 0.438 25.538 994 HB2 PRO 19 HB2 PRO 19 94.161 0.312 28.448 995 HB3 PRO 19 HB1 PRO 19 94.467 -0.939 27.235 996 HG2 PRO 19 HG2 PRO 19 96.445 0.532 28.629 997 HG3 PRO 19 HG1 PRO 19 96.717 -0.472 27.198 998 HD2 PRO 19 HD2 PRO 19 96.730 2.450 27.407 999 HD3 PRO 19 HD1 PRO 19 97.252 1.439 26.041 1000 HA PRO 20 HA PRO 20 90.902 3.743 26.845 1001 HB2 PRO 20 HB2 PRO 20 88.632 2.321 25.816 1002 HB3 PRO 20 HB1 PRO 20 89.483 3.670 25.050 1003 HG2 PRO 20 HG2 PRO 20 89.521 0.862 24.280 1004 HG3 PRO 20 HG1 PRO 20 90.272 2.234 23.451 1005 HD2 PRO 20 HD2 PRO 20 91.584 0.181 25.010 1006 HD3 PRO 20 HD1 PRO 20 92.332 1.565 24.186 1007 H ARG 21 HN ARG 21 89.449 0.463 26.930 1008 HA ARG 21 HA ARG 21 87.936 0.767 29.248 1009 HB2 ARG 21 HB2 ARG 21 88.306 -1.294 27.589 1010 HB3 ARG 21 HB1 ARG 21 89.397 -1.836 28.860 1011 HG2 ARG 21 HG2 ARG 21 87.397 -2.795 29.580 1012 HG3 ARG 21 HG1 ARG 21 87.344 -1.262 30.447 1013 HD2 ARG 21 HD2 ARG 21 86.056 -0.341 28.422 1014 HD3 ARG 21 HD1 ARG 21 85.885 -2.018 27.908 1015 HE ARG 21 HE ARG 21 85.003 -2.039 30.535 1016 HH11 ARG 21 HH21 ARG 21 84.318 -0.240 27.675 1017 HH12 ARG 21 HH22 ARG 21 82.659 0.040 28.088 1018 HH21 ARG 21 HH11 ARG 21 82.839 -1.685 31.091 1019 HH22 ARG 21 HH12 ARG 21 81.822 -0.779 30.022 1020 H ARG 22 HN ARG 22 88.332 0.505 31.475 1021 HA ARG 22 HA ARG 22 91.107 -0.015 32.383 1022 HB2 ARG 22 HB2 ARG 22 89.627 2.597 32.722 1023 HB3 ARG 22 HB1 ARG 22 90.835 2.091 33.903 1024 HG2 ARG 22 HG2 ARG 22 92.499 1.857 32.069 1025 HG3 ARG 22 HG1 ARG 22 91.293 2.411 30.923 1026 HD2 ARG 22 HD2 ARG 22 91.696 4.586 31.436 1027 HD3 ARG 22 HD1 ARG 22 91.478 4.293 33.155 1028 HE ARG 22 HE ARG 22 93.960 4.752 31.830 1029 HH11 ARG 22 HH21 ARG 22 92.573 2.477 34.027 1030 HH12 ARG 22 HH22 ARG 22 94.097 2.014 34.702 1031 HH21 ARG 22 HH11 ARG 22 95.938 4.162 32.702 1032 HH22 ARG 22 HH12 ARG 22 95.999 2.968 33.955 1033 H ASP 23 HN ASP 23 89.468 -1.899 32.923 1034 HA ASP 23 HA ASP 23 87.643 -1.464 35.129 1035 HB2 ASP 23 HB2 ASP 23 88.923 -4.000 34.061 1036 HB3 ASP 23 HB1 ASP 23 87.642 -3.963 35.273 1037 H VAL 24 HN VAL 24 87.972 -2.424 37.316 1038 HA VAL 24 HA VAL 24 90.404 -1.540 38.514 1039 HB VAL 24 HB VAL 24 89.606 -2.877 40.505 1040 HG11 VAL 24 HG11 VAL 24 87.694 -1.029 39.056 1041 HG12 VAL 24 HG12 VAL 24 88.869 -0.597 40.298 1042 HG13 VAL 24 HG13 VAL 24 87.451 -1.556 40.721 1043 HG21 VAL 24 HG21 VAL 24 87.305 -3.532 38.635 1044 HG22 VAL 24 HG22 VAL 24 87.428 -3.982 40.336 1045 HG23 VAL 24 HG23 VAL 24 88.534 -4.685 39.156 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 120.210 12.364 43.997 2 H2 GLY 1 HT2 GLY 1 119.760 11.899 42.427 3 H3 GLY 1 HT3 GLY 1 119.861 13.546 42.830 4 HA2 GLY 1 HA1 GLY 1 121.868 12.176 41.710 5 HA3 GLY 1 HA2 GLY 1 122.087 13.739 42.546 6 H ILE 2 HN ILE 2 121.174 10.253 43.265 7 HA ILE 2 HA ILE 2 123.791 9.125 43.135 8 HB ILE 2 HB ILE 2 123.956 10.649 45.186 9 HG12 ILE 2 HG12 ILE 2 125.025 8.848 46.591 10 HG13 ILE 2 HG11 ILE 2 124.355 7.653 45.487 11 HG21 ILE 2 HG21 ILE 2 122.482 8.616 46.803 12 HG22 ILE 2 HG22 ILE 2 121.491 9.724 45.857 13 HG23 ILE 2 HG23 ILE 2 122.632 10.354 47.040 14 HD11 ILE 2 HD11 ILE 2 125.819 8.197 43.789 15 HD12 ILE 2 HD12 ILE 2 126.821 8.649 45.164 16 HD13 ILE 2 HD13 ILE 2 125.940 9.889 44.276 17 HA PRO 3 HA PRO 3 119.705 6.628 43.503 18 HB2 PRO 3 HB2 PRO 3 120.253 5.514 40.911 19 HB3 PRO 3 HB1 PRO 3 118.943 6.619 41.344 20 HG2 PRO 3 HG2 PRO 3 121.429 7.206 39.876 21 HG3 PRO 3 HG1 PRO 3 119.964 8.190 40.017 22 HD2 PRO 3 HD2 PRO 3 122.417 8.747 41.282 23 HD3 PRO 3 HD1 PRO 3 120.838 9.431 41.724 24 H GLU 4 HN GLU 4 122.103 5.231 41.337 25 HA GLU 4 HA GLU 4 123.571 3.386 41.698 26 HB2 GLU 4 HB2 GLU 4 123.833 4.660 44.083 27 HB3 GLU 4 HB1 GLU 4 122.944 3.246 44.644 28 HG2 GLU 4 HG2 GLU 4 124.635 1.784 43.540 29 HG3 GLU 4 HG1 GLU 4 125.549 3.224 43.092 30 H PHE 5 HN PHE 5 120.458 3.880 42.709 31 HA PHE 5 HA PHE 5 119.582 1.093 42.962 32 HB2 PHE 5 HB2 PHE 5 118.544 3.890 43.455 33 HB3 PHE 5 HB1 PHE 5 117.335 2.680 42.962 34 HD1 PHE 5 HD2 PHE 5 117.337 0.414 44.258 35 HD2 PHE 5 HD1 PHE 5 119.216 3.997 45.703 36 HE1 PHE 5 HE2 PHE 5 117.290 -0.492 46.566 37 HE2 PHE 5 HE1 PHE 5 119.169 3.090 48.011 38 HZ PHE 5 HZ PHE 5 118.206 0.845 48.442 39 H PHE 6 HN PHE 6 120.835 2.673 40.686 40 HA PHE 6 HA PHE 6 120.593 3.105 38.443 41 HB2 PHE 6 HB2 PHE 6 119.562 1.250 37.128 42 HB3 PHE 6 HB1 PHE 6 120.775 0.699 38.282 43 HD1 PHE 6 HD2 PHE 6 120.121 -0.465 40.355 44 HD2 PHE 6 HD1 PHE 6 117.200 0.706 37.429 45 HE1 PHE 6 HE2 PHE 6 118.457 -1.971 41.410 46 HE2 PHE 6 HE1 PHE 6 115.540 -0.800 38.484 47 HZ PHE 6 HZ PHE 6 116.167 -2.139 40.475 48 H GLN 7 HN GLN 7 118.330 2.360 36.781 49 HA GLN 7 HA GLN 7 116.149 3.103 36.229 50 HB2 GLN 7 HB2 GLN 7 115.852 3.135 38.914 51 HB3 GLN 7 HB1 GLN 7 115.956 4.876 38.662 52 HG2 GLN 7 HG2 GLN 7 114.140 4.690 36.950 53 HG3 GLN 7 HG1 GLN 7 113.983 2.980 37.356 54 HE21 GLN 7 HE21 GLN 7 111.926 5.086 37.772 55 HE22 GLN 7 HE22 GLN 7 111.620 5.124 39.441 56 H PHE 8 HN PHE 8 118.948 4.604 37.041 57 HA PHE 8 HA PHE 8 118.562 6.694 35.059 58 HB2 PHE 8 HB2 PHE 8 117.769 7.806 37.140 59 HB3 PHE 8 HB1 PHE 8 119.315 7.430 37.900 60 HD1 PHE 8 HD2 PHE 8 117.841 9.155 34.923 61 HD2 PHE 8 HD1 PHE 8 121.131 8.917 37.675 62 HE1 PHE 8 HE2 PHE 8 118.818 11.208 33.934 63 HE2 PHE 8 HE1 PHE 8 122.107 10.971 36.687 64 HZ PHE 8 HZ PHE 8 120.950 12.117 34.816 65 H THR 9 HN THR 9 120.561 5.093 37.412 66 HA THR 9 HA THR 9 123.027 5.811 35.904 67 HB THR 9 HB THR 9 122.659 4.177 38.444 68 HG1 THR 9 HG1 THR 9 123.971 6.535 38.642 69 HG21 THR 9 HG21 THR 9 125.068 5.072 36.874 70 HG22 THR 9 HG22 THR 9 124.713 3.481 37.546 71 HG23 THR 9 HG23 THR 9 125.181 4.803 38.613 72 H VAL 10 HN VAL 10 120.523 3.810 35.663 73 HA VAL 10 HA VAL 10 121.281 1.175 35.462 74 HB VAL 10 HB VAL 10 119.033 1.959 34.902 75 HG11 VAL 10 HG11 VAL 10 118.557 3.090 32.809 76 HG12 VAL 10 HG12 VAL 10 120.247 2.983 32.325 77 HG13 VAL 10 HG13 VAL 10 119.784 4.007 33.681 78 HG21 VAL 10 HG21 VAL 10 118.596 0.482 33.030 79 HG22 VAL 10 HG22 VAL 10 119.874 -0.237 34.009 80 HG23 VAL 10 HG23 VAL 10 120.274 0.585 32.503 81 H GLY 11 HN GLY 11 122.093 3.788 33.262 82 HA2 GLY 11 HA2 GLY 11 124.516 3.328 32.348 83 HA3 GLY 11 HA1 GLY 11 123.733 1.966 31.555 84 HA PRO 12 HA PRO 12 122.520 4.744 28.283 85 HB2 PRO 12 HB2 PRO 12 120.021 3.646 27.625 86 HB3 PRO 12 HB1 PRO 12 121.576 3.034 27.042 87 HG2 PRO 12 HG2 PRO 12 119.813 1.939 29.183 88 HG3 PRO 12 HG1 PRO 12 120.956 1.091 28.132 89 HD2 PRO 12 HD2 PRO 12 121.429 1.693 30.813 90 HD3 PRO 12 HD1 PRO 12 122.696 1.359 29.616 91 H LEU 13 HN LEU 13 121.996 5.528 30.962 92 HA LEU 13 HA LEU 13 120.477 6.660 32.387 93 HB2 LEU 13 HB2 LEU 13 119.904 8.918 31.245 94 HB3 LEU 13 HB1 LEU 13 121.595 8.523 31.520 95 HG LEU 13 HG LEU 13 120.368 7.721 28.895 96 HD11 LEU 13 HD11 LEU 13 120.944 9.952 27.959 97 HD12 LEU 13 HD12 LEU 13 121.237 10.532 29.598 98 HD13 LEU 13 HD13 LEU 13 119.617 10.024 29.119 99 HD21 LEU 13 HD21 LEU 13 123.073 8.969 29.375 100 HD22 LEU 13 HD22 LEU 13 122.583 7.847 28.105 101 HD23 LEU 13 HD23 LEU 13 122.803 7.270 29.754 102 H GLY 14 HN GLY 14 119.051 4.607 31.116 103 HA2 GLY 14 HA2 GLY 14 116.802 3.973 30.887 104 HA3 GLY 14 HA1 GLY 14 116.356 5.600 31.402 105 H GLU 15 HN GLU 15 117.799 7.002 29.353 106 HA GLU 15 HA GLU 15 117.400 7.821 27.200 107 HB2 GLU 15 HB2 GLU 15 118.338 5.427 26.807 108 HB3 GLU 15 HB1 GLU 15 116.673 4.997 26.430 109 HG2 GLU 15 HG2 GLU 15 117.585 5.573 24.324 110 HG3 GLU 15 HG1 GLU 15 116.736 7.038 24.813 111 H GLY 16 HN GLY 16 115.088 6.747 29.194 112 HA2 GLY 16 HA2 GLY 16 112.787 7.115 29.295 113 HA3 GLY 16 HA1 GLY 16 112.963 8.126 27.863 114 H GLY 17 HN GLY 17 112.259 4.895 29.016 115 HA2 GLY 17 HA2 GLY 17 111.145 3.123 27.988 116 HA3 GLY 17 HA1 GLY 17 110.582 4.281 26.798 117 H ALA 18 HN ALA 18 112.961 5.037 25.591 118 HA ALA 18 HA ALA 18 113.433 3.114 23.645 119 HB1 ALA 18 HB1 ALA 18 114.389 5.187 23.142 120 HB2 ALA 18 HB2 ALA 18 115.822 4.244 23.539 121 HB3 ALA 18 HB3 ALA 18 115.125 5.340 24.733 122 H HIS 19 HN HIS 19 114.295 2.848 26.913 123 HA HIS 19 HA HIS 19 116.585 1.080 26.438 124 HB2 HIS 19 HB2 HIS 19 116.681 2.417 28.431 125 HB3 HIS 19 HB1 HIS 19 115.065 1.911 28.921 126 HD1 HIS 19 HD1 HIS 19 118.189 -0.052 27.900 127 HD2 HIS 19 HD2 HIS 19 115.377 0.096 30.974 128 HE1 HIS 19 HE1 HIS 19 118.784 -1.918 29.507 129 H LYS 20 HN LYS 20 113.236 0.716 27.677 130 HA LYS 20 HA LYS 20 113.493 -2.211 27.638 131 HB2 LYS 20 HB2 LYS 20 111.073 -2.169 28.310 132 HB3 LYS 20 HB1 LYS 20 112.133 -1.278 29.395 133 HG2 LYS 20 HG2 LYS 20 110.545 0.371 29.153 134 HG3 LYS 20 HG1 LYS 20 111.441 0.738 27.692 135 HD2 LYS 20 HD2 LYS 20 109.888 -0.810 26.434 136 HD3 LYS 20 HD1 LYS 20 108.946 -0.970 27.911 137 HE2 LYS 20 HE2 LYS 20 108.287 1.291 27.875 138 HE3 LYS 20 HE1 LYS 20 109.571 1.749 26.761 139 HZ1 LYS 20 HZ1 LYS 20 108.001 -0.245 25.573 140 HZ2 LYS 20 HZ2 LYS 20 108.214 1.367 25.081 141 HZ3 LYS 20 HZ3 LYS 20 106.966 0.963 26.160 142 H VAL 21 HN VAL 21 112.974 0.060 25.254 143 HA VAL 21 HA VAL 21 110.917 -1.381 23.757 144 HB VAL 21 HB VAL 21 112.828 0.845 22.984 145 HG11 VAL 21 HG11 VAL 21 112.350 -0.313 20.948 146 HG12 VAL 21 HG12 VAL 21 111.236 1.053 20.993 147 HG13 VAL 21 HG13 VAL 21 110.666 -0.564 21.404 148 HG21 VAL 21 HG21 VAL 21 109.818 0.916 23.284 149 HG22 VAL 21 HG22 VAL 21 110.936 2.278 23.215 150 HG23 VAL 21 HG23 VAL 21 110.901 1.237 24.638 151 H ARG 22 HN ARG 22 111.349 -3.310 22.906 152 HA ARG 22 HA ARG 22 114.112 -3.955 21.996 153 HB2 ARG 22 HB2 ARG 22 113.086 -5.545 23.537 154 HB3 ARG 22 HB1 ARG 22 111.677 -5.682 22.491 155 HG2 ARG 22 HG2 ARG 22 113.241 -7.592 22.194 156 HG3 ARG 22 HG1 ARG 22 113.072 -6.666 20.706 157 HD2 ARG 22 HD2 ARG 22 115.205 -5.708 20.911 158 HD3 ARG 22 HD1 ARG 22 115.281 -6.005 22.649 159 HE ARG 22 HE ARG 22 115.165 -8.544 21.542 160 HH11 ARG 22 HH21 ARG 22 117.102 -5.719 21.150 161 HH12 ARG 22 HH22 ARG 22 118.527 -6.597 20.706 162 HH21 ARG 22 HH11 ARG 22 117.013 -9.705 20.963 163 HH22 ARG 22 HH12 ARG 22 118.477 -8.853 20.600 164 H ALA 23 HN ALA 23 114.549 -4.376 19.867 165 HA ALA 23 HA ALA 23 112.330 -4.675 17.926 166 HB1 ALA 23 HB1 ALA 23 112.968 -2.833 16.565 167 HB2 ALA 23 HB2 ALA 23 114.491 -2.615 17.428 168 HB3 ALA 23 HB3 ALA 23 112.968 -2.183 18.204 169 H GLY 24 HN GLY 24 112.945 -6.535 16.921 170 HA2 GLY 24 HA2 GLY 24 115.604 -6.685 15.680 171 HA3 GLY 24 HA1 GLY 24 115.328 -7.863 16.964 172 H GLY 25 HN GLY 25 115.373 -7.719 13.759 173 HA2 GLY 25 HA2 GLY 25 113.900 -10.122 13.353 174 HA3 GLY 25 HA1 GLY 25 112.890 -8.768 12.856 175 H THR 26 HN THR 26 113.389 -10.273 10.791 176 HA THR 26 HA THR 26 115.947 -9.742 9.495 177 HB THR 26 HB THR 26 113.419 -10.674 8.119 178 HG1 THR 26 HG1 THR 26 115.002 -12.677 8.896 179 HG21 THR 26 HG21 THR 26 115.396 -10.154 6.725 180 HG22 THR 26 HG22 THR 26 115.025 -11.878 6.703 181 HG23 THR 26 HG23 THR 26 116.359 -11.276 7.687 182 H GLY 27 HN GLY 27 112.889 -8.144 9.730 183 HA2 GLY 27 HA2 GLY 27 113.084 -6.586 7.300 184 HA3 GLY 27 HA1 GLY 27 112.042 -6.220 8.678 185 H LEU 28 HN LEU 28 114.470 -6.392 10.468 186 HA LEU 28 HA LEU 28 115.262 -3.572 10.189 187 HB2 LEU 28 HB2 LEU 28 115.808 -5.727 12.241 188 HB3 LEU 28 HB1 LEU 28 116.587 -4.153 12.315 189 HG LEU 28 HG LEU 28 113.581 -4.403 12.104 190 HD11 LEU 28 HD11 LEU 28 114.024 -5.662 14.067 191 HD12 LEU 28 HD12 LEU 28 113.655 -4.040 14.652 192 HD13 LEU 28 HD13 LEU 28 115.329 -4.584 14.562 193 HD21 LEU 28 HD21 LEU 28 113.817 -2.187 13.417 194 HD22 LEU 28 HD22 LEU 28 114.295 -2.163 11.724 195 HD23 LEU 28 HD23 LEU 28 115.524 -2.246 12.984 196 H GLU 29 HN GLU 29 116.125 -5.616 8.199 197 HA GLU 29 HA GLU 29 119.063 -5.101 8.390 198 HB2 GLU 29 HB2 GLU 29 117.963 -7.750 7.437 199 HB3 GLU 29 HB1 GLU 29 119.627 -7.344 7.857 200 HG2 GLU 29 HG2 GLU 29 118.816 -6.915 10.222 201 HG3 GLU 29 HG1 GLU 29 117.272 -7.619 9.738 202 H ARG 30 HN ARG 30 116.766 -6.727 6.138 203 HA ARG 30 HA ARG 30 117.413 -4.684 4.081 204 HB2 ARG 30 HB2 ARG 30 118.002 -7.641 3.731 205 HB3 ARG 30 HB1 ARG 30 118.026 -6.455 2.427 206 HG2 ARG 30 HG2 ARG 30 119.752 -5.164 3.740 207 HG3 ARG 30 HG1 ARG 30 119.818 -6.517 4.869 208 HD2 ARG 30 HD2 ARG 30 120.284 -6.811 1.893 209 HD3 ARG 30 HD1 ARG 30 121.582 -6.589 3.066 210 HE ARG 30 HE ARG 30 120.139 -8.737 4.065 211 HH11 ARG 30 HH21 ARG 30 121.638 -7.892 1.078 212 HH12 ARG 30 HH22 ARG 30 122.003 -9.529 0.645 213 HH21 ARG 30 HH11 ARG 30 120.605 -10.878 3.517 214 HH22 ARG 30 HH12 ARG 30 121.417 -11.220 2.026 215 H GLY 31 HN GLY 31 116.062 -5.030 2.083 216 HA2 GLY 31 HA2 GLY 31 113.621 -6.687 2.531 217 HA3 GLY 31 HA1 GLY 31 113.433 -4.967 2.171 218 H VAL 32 HN VAL 32 112.353 -6.710 0.325 219 HA VAL 32 HA VAL 32 114.269 -6.443 -1.962 220 HB VAL 32 HB VAL 32 112.647 -8.851 -1.154 221 HG11 VAL 32 HG11 VAL 32 112.212 -8.634 -3.513 222 HG12 VAL 32 HG12 VAL 32 113.480 -9.844 -3.343 223 HG13 VAL 32 HG13 VAL 32 113.888 -8.205 -3.835 224 HG21 VAL 32 HG21 VAL 32 114.729 -9.980 -1.100 225 HG22 VAL 32 HG22 VAL 32 115.041 -8.426 -0.333 226 HG23 VAL 32 HG23 VAL 32 115.538 -8.700 -2.001 227 H ALA 33 HN ALA 33 113.355 -6.116 -3.988 228 HA ALA 33 HA ALA 33 111.299 -4.338 -4.301 229 HB1 ALA 33 HB1 ALA 33 112.654 -6.268 -6.042 230 HB2 ALA 33 HB2 ALA 33 112.195 -4.603 -6.383 231 HB3 ALA 33 HB3 ALA 33 111.027 -5.899 -6.610 232 H GLY 34 HN GLY 34 109.284 -4.362 -3.626 233 HA2 GLY 34 HA2 GLY 34 107.110 -5.039 -3.161 234 HA3 GLY 34 HA1 GLY 34 107.255 -5.967 -4.647 235 H VAL 35 HN VAL 35 108.819 -6.323 -1.447 236 HA VAL 35 HA VAL 35 107.661 -9.070 -1.324 237 HB VAL 35 HB VAL 35 110.468 -8.140 -0.770 238 HG11 VAL 35 HG11 VAL 35 109.053 -10.595 0.293 239 HG12 VAL 35 HG12 VAL 35 109.980 -9.400 1.201 240 HG13 VAL 35 HG13 VAL 35 110.807 -10.522 0.120 241 HG21 VAL 35 HG21 VAL 35 109.264 -10.433 -2.354 242 HG22 VAL 35 HG22 VAL 35 110.990 -10.121 -2.193 243 HG23 VAL 35 HG23 VAL 35 109.957 -8.959 -3.028 244 HA PRO 36 HA PRO 36 106.106 -7.231 2.492 245 HB2 PRO 36 HB2 PRO 36 105.501 -9.831 3.630 246 HB3 PRO 36 HB1 PRO 36 104.369 -8.643 2.968 247 HG2 PRO 36 HG2 PRO 36 105.194 -11.149 1.774 248 HG3 PRO 36 HG1 PRO 36 104.047 -9.966 1.129 249 HD2 PRO 36 HD2 PRO 36 106.717 -10.511 0.184 250 HD3 PRO 36 HD1 PRO 36 105.579 -9.290 -0.428 251 H ALA 37 HN ALA 37 107.794 -6.496 3.714 252 HA ALA 37 HA ALA 37 109.672 -8.491 4.946 253 HB1 ALA 37 HB1 ALA 37 111.203 -6.585 5.230 254 HB2 ALA 37 HB2 ALA 37 109.992 -5.494 4.556 255 HB3 ALA 37 HB3 ALA 37 110.728 -6.731 3.538 256 H GLU 38 HN GLU 38 109.846 -8.501 7.226 257 HA GLU 38 HA GLU 38 108.418 -6.402 8.736 258 HB2 GLU 38 HB2 GLU 38 106.835 -7.808 9.778 259 HB3 GLU 38 HB1 GLU 38 106.782 -8.305 8.088 260 HG2 GLU 38 HG2 GLU 38 108.572 -10.065 8.786 261 HG3 GLU 38 HG1 GLU 38 108.053 -9.711 10.439 262 H PHE 39 HN PHE 39 108.564 -6.793 11.081 263 HA PHE 39 HA PHE 39 110.739 -8.510 12.013 264 HB2 PHE 39 HB2 PHE 39 112.011 -6.623 13.048 265 HB3 PHE 39 HB1 PHE 39 112.069 -6.601 11.289 266 HD1 PHE 39 HD2 PHE 39 110.159 -5.196 10.124 267 HD2 PHE 39 HD1 PHE 39 111.445 -4.653 14.180 268 HE1 PHE 39 HE2 PHE 39 109.241 -2.894 10.102 269 HE2 PHE 39 HE1 PHE 39 110.542 -2.348 14.158 270 HZ PHE 39 HZ PHE 39 109.435 -1.467 12.122 271 H SER 40 HN SER 40 110.984 -8.021 14.479 272 HA SER 40 HA SER 40 108.208 -7.824 15.551 273 HB2 SER 40 HB2 SER 40 110.743 -8.982 16.739 274 HB3 SER 40 HB1 SER 40 109.186 -8.936 17.560 275 HG SER 40 HG SER 40 109.481 -10.915 16.487 276 H ILE 41 HN ILE 41 107.761 -6.533 17.390 277 HA ILE 41 HA ILE 41 109.868 -4.665 18.345 278 HB ILE 41 HB ILE 41 107.130 -3.680 17.499 279 HG12 ILE 41 HG12 ILE 41 109.772 -3.601 16.011 280 HG13 ILE 41 HG11 ILE 41 108.259 -4.322 15.462 281 HG21 ILE 41 HG21 ILE 41 108.527 -2.486 19.300 282 HG22 ILE 41 HG22 ILE 41 108.008 -1.506 17.932 283 HG23 ILE 41 HG23 ILE 41 109.664 -2.107 18.008 284 HD11 ILE 41 HD11 ILE 41 107.311 -1.875 15.814 285 HD12 ILE 41 HD12 ILE 41 108.206 -2.268 14.351 286 HD13 ILE 41 HD13 ILE 41 109.008 -1.419 15.668 287 H TRP 42 HN TRP 42 109.738 -5.803 20.352 288 HA TRP 42 HA TRP 42 107.095 -5.876 21.714 289 HB2 TRP 42 HB2 TRP 42 108.284 -7.901 22.017 290 HB3 TRP 42 HB1 TRP 42 109.809 -7.068 22.282 291 HD1 TRP 42 HD1 TRP 42 110.506 -6.883 24.720 292 HE1 TRP 42 HE1 TRP 42 109.305 -6.970 26.999 293 HE3 TRP 42 HE3 TRP 42 105.663 -7.282 23.151 294 HZ2 TRP 42 HZ2 TRP 42 106.642 -7.180 28.022 295 HZ3 TRP 42 HZ3 TRP 42 103.816 -7.424 24.797 296 HH2 TRP 42 HH2 TRP 42 104.298 -7.374 27.228 297 H THR 43 HN THR 43 106.522 -4.143 22.919 298 HA THR 43 HA THR 43 108.541 -2.750 24.569 299 HB THR 43 HB THR 43 108.814 -1.345 22.716 300 HG1 THR 43 HG1 THR 43 107.257 0.444 23.112 301 HG21 THR 43 HG21 THR 43 105.866 -1.780 22.171 302 HG22 THR 43 HG22 THR 43 107.219 -2.413 21.234 303 HG23 THR 43 HG23 THR 43 106.892 -0.681 21.249 304 H ARG 44 HN ARG 44 107.488 -2.940 26.510 305 HA ARG 44 HA ARG 44 105.044 -1.486 26.967 306 HB2 ARG 44 HB2 ARG 44 104.356 -3.729 25.782 307 HB3 ARG 44 HB1 ARG 44 104.682 -4.460 27.350 308 HG2 ARG 44 HG2 ARG 44 103.141 -2.724 28.369 309 HG3 ARG 44 HG1 ARG 44 102.702 -2.256 26.728 310 HD2 ARG 44 HD2 ARG 44 102.403 -5.038 26.693 311 HD3 ARG 44 HD1 ARG 44 101.817 -4.594 28.292 312 HE ARG 44 HE ARG 44 100.342 -4.293 25.926 313 HH11 ARG 44 HH21 ARG 44 101.459 -2.261 28.484 314 HH12 ARG 44 HH22 ARG 44 100.225 -1.072 28.246 315 HH21 ARG 44 HH11 ARG 44 98.734 -2.757 25.613 316 HH22 ARG 44 HH12 ARG 44 98.686 -1.351 26.623 317 H GLU 45 HN GLU 45 106.607 -0.695 28.589 318 HA GLU 45 HA GLU 45 106.344 -2.163 31.107 319 HB2 GLU 45 HB2 GLU 45 108.387 -3.143 29.898 320 HB3 GLU 45 HB1 GLU 45 109.155 -1.577 30.163 321 HG2 GLU 45 HG2 GLU 45 108.810 -1.789 32.582 322 HG3 GLU 45 HG1 GLU 45 107.984 -3.329 32.343 323 H ALA 46 HN ALA 46 108.047 0.517 29.454 324 HA ALA 46 HA ALA 46 108.364 2.108 31.813 325 HB1 ALA 46 HB1 ALA 46 109.490 2.431 29.511 326 HB2 ALA 46 HB2 ALA 46 108.994 3.882 30.380 327 HB3 ALA 46 HB3 ALA 46 108.009 3.273 29.051 328 H GLY 47 HN GLY 47 105.837 2.074 29.302 329 HA2 GLY 47 HA2 GLY 47 103.648 2.471 30.900 330 HA3 GLY 47 HA1 GLY 47 104.293 4.099 30.725 331 H ALA 48 HN ALA 48 102.407 4.738 29.540 332 HA ALA 48 HA ALA 48 101.950 3.439 26.896 333 HB1 ALA 48 HB1 ALA 48 99.892 4.671 26.829 334 HB2 ALA 48 HB2 ALA 48 100.409 5.734 28.137 335 HB3 ALA 48 HB3 ALA 48 100.035 4.043 28.471 336 H GLY 49 HN GLY 49 101.840 4.824 24.971 337 HA2 GLY 49 HA2 GLY 49 102.692 7.546 24.937 338 HA3 GLY 49 HA1 GLY 49 104.101 6.517 24.677 339 H GLY 50 HN GLY 50 103.490 8.119 22.611 340 HA2 GLY 50 HA2 GLY 50 101.879 6.491 20.684 341 HA3 GLY 50 HA1 GLY 50 102.274 8.198 20.490 342 H LEU 51 HN LEU 51 103.037 5.221 19.324 343 HA LEU 51 HA LEU 51 105.941 5.737 18.950 344 HB2 LEU 51 HB2 LEU 51 105.246 3.423 19.407 345 HB3 LEU 51 HB1 LEU 51 104.146 3.465 18.032 346 HG LEU 51 HG LEU 51 106.082 3.821 16.511 347 HD11 LEU 51 HD11 LEU 51 107.569 3.774 19.134 348 HD12 LEU 51 HD12 LEU 51 107.751 4.881 17.772 349 HD13 LEU 51 HD13 LEU 51 108.370 3.237 17.656 350 HD21 LEU 51 HD21 LEU 51 106.520 1.431 18.323 351 HD22 LEU 51 HD22 LEU 51 106.893 1.551 16.603 352 HD23 LEU 51 HD23 LEU 51 105.213 1.527 17.142 353 H SER 52 HN SER 52 106.321 7.250 17.432 354 HA SER 52 HA SER 52 104.554 7.513 15.076 355 HB2 SER 52 HB2 SER 52 105.116 9.646 15.822 356 HB3 SER 52 HB1 SER 52 106.726 9.149 16.332 357 HG SER 52 HG SER 52 105.765 9.865 13.809 358 H ILE 53 HN ILE 53 105.256 6.998 12.939 359 HA ILE 53 HA ILE 53 108.017 5.845 12.698 360 HB ILE 53 HB ILE 53 105.562 4.735 11.319 361 HG12 ILE 53 HG12 ILE 53 106.943 3.769 13.845 362 HG13 ILE 53 HG11 ILE 53 105.312 4.434 13.748 363 HG21 ILE 53 HG21 ILE 53 106.986 2.937 10.691 364 HG22 ILE 53 HG22 ILE 53 108.234 3.426 11.835 365 HG23 ILE 53 HG23 ILE 53 107.931 4.396 10.395 366 HD11 ILE 53 HD11 ILE 53 105.111 2.029 13.773 367 HD12 ILE 53 HD12 ILE 53 106.314 1.865 12.494 368 HD13 ILE 53 HD13 ILE 53 104.740 2.576 12.138 369 H ALA 54 HN ALA 54 108.900 7.540 11.532 370 HA ALA 54 HA ALA 54 107.417 8.634 9.210 371 HB1 ALA 54 HB1 ALA 54 110.185 9.445 10.120 372 HB2 ALA 54 HB2 ALA 54 108.736 10.068 10.908 373 HB3 ALA 54 HB3 ALA 54 109.015 10.388 9.197 374 H VAL 55 HN VAL 55 107.577 7.285 7.496 375 HA VAL 55 HA VAL 55 110.184 5.961 6.908 376 HB VAL 55 HB VAL 55 108.479 4.933 5.033 377 HG11 VAL 55 HG11 VAL 55 108.209 3.005 6.527 378 HG12 VAL 55 HG12 VAL 55 108.651 3.995 7.918 379 HG13 VAL 55 HG13 VAL 55 109.844 3.651 6.667 380 HG21 VAL 55 HG21 VAL 55 106.706 5.249 7.465 381 HG22 VAL 55 HG22 VAL 55 106.266 4.723 5.841 382 HG23 VAL 55 HG23 VAL 55 106.656 6.414 6.143 383 H GLU 56 HN GLU 56 111.261 6.317 4.989 384 HA GLU 56 HA GLU 56 110.074 8.183 2.999 385 HB2 GLU 56 HB2 GLU 56 111.285 9.763 4.274 386 HB3 GLU 56 HB1 GLU 56 112.599 8.642 4.600 387 HG2 GLU 56 HG2 GLU 56 113.457 8.847 2.387 388 HG3 GLU 56 HG1 GLU 56 111.977 9.580 1.800 389 H GLY 57 HN GLY 57 110.894 7.761 0.885 390 HA2 GLY 57 HA2 GLY 57 113.170 6.362 0.146 391 HA3 GLY 57 HA1 GLY 57 112.001 5.103 0.535 392 HA PRO 58 HA PRO 58 111.519 6.463 -3.921 393 HB2 PRO 58 HB2 PRO 58 111.381 3.625 -4.605 394 HB3 PRO 58 HB1 PRO 58 112.571 4.843 -5.092 395 HG2 PRO 58 HG2 PRO 58 112.990 2.702 -3.249 396 HG3 PRO 58 HG1 PRO 58 114.105 4.033 -3.591 397 HD2 PRO 58 HD2 PRO 58 112.427 3.623 -1.216 398 HD3 PRO 58 HD1 PRO 58 113.736 4.794 -1.460 399 H SER 59 HN SER 59 109.826 3.958 -2.019 400 HA SER 59 HA SER 59 107.280 4.847 -3.353 401 HB2 SER 59 HB2 SER 59 107.630 2.742 -4.340 402 HB3 SER 59 HB1 SER 59 108.280 2.052 -2.856 403 HG SER 59 HG SER 59 106.305 1.427 -2.519 404 H LYS 60 HN LYS 60 105.364 3.860 -2.021 405 HA LYS 60 HA LYS 60 105.773 4.757 0.772 406 HB2 LYS 60 HB2 LYS 60 103.883 5.656 -0.592 407 HB3 LYS 60 HB1 LYS 60 103.220 4.025 -0.692 408 HG2 LYS 60 HG2 LYS 60 103.042 3.940 1.765 409 HG3 LYS 60 HG1 LYS 60 103.715 5.566 1.872 410 HD2 LYS 60 HD2 LYS 60 101.824 6.533 0.790 411 HD3 LYS 60 HD1 LYS 60 101.228 4.958 0.265 412 HE2 LYS 60 HE2 LYS 60 101.542 5.609 3.197 413 HE3 LYS 60 HE1 LYS 60 100.080 6.047 2.313 414 HZ1 LYS 60 HZ1 LYS 60 100.011 3.654 1.583 415 HZ2 LYS 60 HZ2 LYS 60 99.682 3.937 3.226 416 HZ3 LYS 60 HZ3 LYS 60 101.200 3.342 2.751 417 H ALA 61 HN ALA 61 106.743 2.974 1.802 418 HA ALA 61 HA ALA 61 105.971 0.252 1.427 419 HB1 ALA 61 HB1 ALA 61 108.060 1.094 2.605 420 HB2 ALA 61 HB2 ALA 61 107.215 -0.214 3.430 421 HB3 ALA 61 HB3 ALA 61 107.037 1.445 3.998 422 H GLU 62 HN GLU 62 104.196 -0.866 2.191 423 HA GLU 62 HA GLU 62 102.231 0.660 3.773 424 HB2 GLU 62 HB2 GLU 62 101.747 -0.894 1.711 425 HB3 GLU 62 HB1 GLU 62 101.810 -2.188 2.902 426 HG2 GLU 62 HG2 GLU 62 99.516 -1.517 2.768 427 HG3 GLU 62 HG1 GLU 62 100.139 -0.850 4.278 428 H ILE 63 HN ILE 63 103.035 0.743 5.835 429 HA ILE 63 HA ILE 63 104.212 -1.378 7.325 430 HB ILE 63 HB ILE 63 102.803 1.197 8.029 431 HG12 ILE 63 HG12 ILE 63 105.062 1.779 8.866 432 HG13 ILE 63 HG11 ILE 63 105.632 0.170 8.425 433 HG21 ILE 63 HG21 ILE 63 103.699 0.681 10.430 434 HG22 ILE 63 HG22 ILE 63 103.634 -1.000 9.909 435 HG23 ILE 63 HG23 ILE 63 102.166 -0.031 9.926 436 HD11 ILE 63 HD11 ILE 63 106.064 2.062 6.732 437 HD12 ILE 63 HD12 ILE 63 104.333 1.998 6.401 438 HD13 ILE 63 HD13 ILE 63 105.341 0.581 6.106 439 H ALA 64 HN ALA 64 103.209 -2.695 9.050 440 HA ALA 64 HA ALA 64 100.248 -2.883 8.967 441 HB1 ALA 64 HB1 ALA 64 101.813 -4.618 7.437 442 HB2 ALA 64 HB2 ALA 64 100.150 -4.918 7.934 443 HB3 ALA 64 HB3 ALA 64 101.483 -5.557 8.892 444 H PHE 65 HN PHE 65 99.568 -4.580 10.716 445 HA PHE 65 HA PHE 65 101.512 -4.817 12.936 446 HB2 PHE 65 HB2 PHE 65 100.031 -3.736 14.548 447 HB3 PHE 65 HB1 PHE 65 100.386 -2.605 13.243 448 HD1 PHE 65 HD1 PHE 65 98.702 -2.260 11.402 449 HD2 PHE 65 HD2 PHE 65 97.806 -4.505 14.953 450 HE1 PHE 65 HE1 PHE 65 96.277 -2.043 10.928 451 HE2 PHE 65 HE2 PHE 65 95.382 -4.287 14.480 452 HZ PHE 65 HZ PHE 65 94.617 -3.056 12.467 453 H GLU 66 HN GLU 66 101.335 -6.944 13.482 454 HA GLU 66 HA GLU 66 98.607 -8.104 13.825 455 HB2 GLU 66 HB2 GLU 66 99.408 -8.743 11.557 456 HB3 GLU 66 HB1 GLU 66 100.842 -9.466 12.289 457 HG2 GLU 66 HG2 GLU 66 99.471 -11.052 13.527 458 HG3 GLU 66 HG1 GLU 66 97.995 -10.275 12.951 459 H ASP 67 HN ASP 67 98.721 -8.452 16.013 460 HA ASP 67 HA ASP 67 101.196 -9.411 17.268 461 HB2 ASP 67 HB2 ASP 67 99.726 -9.501 19.331 462 HB3 ASP 67 HB1 ASP 67 99.831 -7.911 18.576 463 H ARG 68 HN ARG 68 101.702 -11.513 16.812 464 HA ARG 68 HA ARG 68 99.511 -13.563 16.902 465 HB2 ARG 68 HB2 ARG 68 101.420 -13.046 14.921 466 HB3 ARG 68 HB1 ARG 68 102.106 -14.426 15.768 467 HG2 ARG 68 HG2 ARG 68 99.261 -14.305 14.711 468 HG3 ARG 68 HG1 ARG 68 100.601 -15.051 13.849 469 HD2 ARG 68 HD2 ARG 68 100.814 -16.284 16.297 470 HD3 ARG 68 HD1 ARG 68 99.071 -16.069 16.182 471 HE ARG 68 HE ARG 68 100.530 -18.068 14.844 472 HH11 ARG 68 HH21 ARG 68 98.317 -15.541 14.033 473 HH12 ARG 68 HH22 ARG 68 97.857 -16.258 12.530 474 HH21 ARG 68 HH11 ARG 68 99.924 -19.010 12.901 475 HH22 ARG 68 HH12 ARG 68 98.757 -18.221 11.893 476 H LYS 69 HN LYS 69 102.146 -12.333 18.622 477 HA LYS 69 HA LYS 69 102.591 -14.925 20.066 478 HB2 LYS 69 HB2 LYS 69 104.294 -12.427 20.223 479 HB3 LYS 69 HB1 LYS 69 104.708 -14.054 20.764 480 HG2 LYS 69 HG2 LYS 69 104.292 -13.159 17.896 481 HG3 LYS 69 HG1 LYS 69 105.822 -13.621 18.641 482 HD2 LYS 69 HD2 LYS 69 104.648 -15.885 19.150 483 HD3 LYS 69 HD1 LYS 69 103.463 -15.373 17.948 484 HE2 LYS 69 HE2 LYS 69 105.383 -14.997 16.347 485 HE3 LYS 69 HE1 LYS 69 106.437 -15.764 17.535 486 HZ1 LYS 69 HZ1 LYS 69 105.852 -17.615 16.432 487 HZ2 LYS 69 HZ2 LYS 69 104.425 -16.938 15.806 488 HZ3 LYS 69 HZ3 LYS 69 104.458 -17.538 17.395 489 H ASP 70 HN ASP 70 101.015 -11.940 20.259 490 HA ASP 70 HA ASP 70 99.834 -10.935 22.021 491 HB2 ASP 70 HB2 ASP 70 99.516 -13.539 22.465 492 HB3 ASP 70 HB1 ASP 70 100.547 -13.216 23.848 493 H GLY 71 HN GLY 71 103.077 -11.616 22.042 494 HA2 GLY 71 HA2 GLY 71 103.546 -9.725 24.304 495 HA3 GLY 71 HA1 GLY 71 104.386 -11.278 24.285 496 H SER 72 HN SER 72 103.767 -9.950 21.205 497 HA SER 72 HA SER 72 106.252 -8.410 21.028 498 HB2 SER 72 HB2 SER 72 106.956 -10.829 20.792 499 HB3 SER 72 HB1 SER 72 105.942 -10.919 19.355 500 HG SER 72 HG SER 72 108.391 -9.733 19.736 501 H CYS 73 HN CYS 73 105.539 -6.682 19.868 502 HA CYS 73 HA CYS 73 103.243 -6.924 18.084 503 HB2 CYS 73 HB2 CYS 73 103.924 -4.862 19.481 504 HB3 CYS 73 HB1 CYS 73 105.107 -4.554 18.214 505 HG CYS 73 HG CYS 73 103.171 -4.283 16.501 506 H GLY 74 HN GLY 74 103.310 -7.361 15.942 507 HA2 GLY 74 HA2 GLY 74 105.982 -7.554 14.618 508 HA3 GLY 74 HA1 GLY 74 104.532 -8.414 14.114 509 H VAL 75 HN VAL 75 106.483 -5.818 13.424 510 HA VAL 75 HA VAL 75 104.304 -4.247 12.085 511 HB VAL 75 HB VAL 75 107.192 -3.639 12.781 512 HG11 VAL 75 HG11 VAL 75 106.595 -1.334 11.774 513 HG12 VAL 75 HG12 VAL 75 105.295 -2.187 10.947 514 HG13 VAL 75 HG13 VAL 75 106.968 -2.639 10.647 515 HG21 VAL 75 HG21 VAL 75 105.991 -1.658 13.904 516 HG22 VAL 75 HG22 VAL 75 105.762 -3.241 14.644 517 HG23 VAL 75 HG23 VAL 75 104.497 -2.550 13.629 518 H SER 76 HN SER 76 103.898 -5.082 10.100 519 HA SER 76 HA SER 76 106.199 -6.043 8.451 520 HB2 SER 76 HB2 SER 76 104.052 -7.459 8.894 521 HB3 SER 76 HB1 SER 76 103.298 -6.394 7.715 522 HG SER 76 HG SER 76 104.960 -6.979 6.256 523 H TYR 77 HN TYR 77 106.883 -4.825 6.804 524 HA TYR 77 HA TYR 77 105.061 -2.743 5.662 525 HB2 TYR 77 HB2 TYR 77 106.910 -1.185 5.542 526 HB3 TYR 77 HB1 TYR 77 106.790 -1.757 7.202 527 HD1 TYR 77 HD2 TYR 77 108.210 -3.981 7.711 528 HD2 TYR 77 HD1 TYR 77 109.019 -1.200 4.541 529 HE1 TYR 77 HE2 TYR 77 110.547 -4.785 7.599 530 HE2 TYR 77 HE1 TYR 77 111.360 -2.005 4.431 531 HH TYR 77 HH TYR 77 112.949 -3.188 5.590 532 H VAL 78 HN VAL 78 104.865 -2.926 3.480 533 HA VAL 78 HA VAL 78 106.773 -4.780 2.082 534 HB VAL 78 HB VAL 78 104.607 -5.601 1.747 535 HG11 VAL 78 HG11 VAL 78 103.272 -3.961 2.766 536 HG12 VAL 78 HG12 VAL 78 102.715 -3.980 1.093 537 HG13 VAL 78 HG13 VAL 78 103.796 -2.701 1.648 538 HG21 VAL 78 HG21 VAL 78 104.758 -3.671 -0.580 539 HG22 VAL 78 HG22 VAL 78 104.118 -5.315 -0.567 540 HG23 VAL 78 HG23 VAL 78 105.855 -5.045 -0.433 541 H VAL 79 HN VAL 79 108.400 -3.671 1.161 542 HA VAL 79 HA VAL 79 108.040 -0.916 0.236 543 HB VAL 79 HB VAL 79 110.474 -1.268 -0.526 544 HG11 VAL 79 HG11 VAL 79 111.222 -1.460 1.970 545 HG12 VAL 79 HG12 VAL 79 109.500 -1.529 2.320 546 HG13 VAL 79 HG13 VAL 79 110.177 -0.115 1.518 547 HG21 VAL 79 HG21 VAL 79 110.244 -3.762 1.177 548 HG22 VAL 79 HG22 VAL 79 111.599 -3.251 0.175 549 HG23 VAL 79 HG23 VAL 79 110.112 -3.820 -0.581 550 H GLN 80 HN GLN 80 108.674 -0.330 -2.059 551 HA GLN 80 HA GLN 80 107.431 -2.278 -3.929 552 HB2 GLN 80 HB2 GLN 80 106.779 0.203 -3.789 553 HB3 GLN 80 HB1 GLN 80 108.309 0.528 -4.603 554 HG2 GLN 80 HG2 GLN 80 107.581 -1.159 -6.370 555 HG3 GLN 80 HG1 GLN 80 105.980 -1.104 -5.629 556 HE21 GLN 80 HE21 GLN 80 107.918 0.378 -7.985 557 HE22 GLN 80 HE22 GLN 80 107.040 1.821 -8.157 558 H GLU 81 HN GLU 81 110.417 -0.246 -3.821 559 HA GLU 81 HA GLU 81 111.805 -2.401 -5.238 560 HB2 GLU 81 HB2 GLU 81 112.649 -0.323 -6.835 561 HB3 GLU 81 HB1 GLU 81 111.394 -1.479 -7.279 562 HG2 GLU 81 HG2 GLU 81 109.666 -0.032 -6.432 563 HG3 GLU 81 HG1 GLU 81 110.862 1.088 -5.780 564 HA PRO 82 HA PRO 82 115.536 -1.595 -3.113 565 HB2 PRO 82 HB2 PRO 82 116.741 -0.916 -5.757 566 HB3 PRO 82 HB1 PRO 82 117.338 -2.009 -4.492 567 HG2 PRO 82 HG2 PRO 82 116.059 -2.924 -6.749 568 HG3 PRO 82 HG1 PRO 82 116.020 -3.747 -5.196 569 HD2 PRO 82 HD2 PRO 82 113.809 -2.374 -6.541 570 HD3 PRO 82 HD1 PRO 82 113.773 -3.465 -5.146 571 H GLY 83 HN GLY 83 117.032 0.021 -2.528 572 HA2 GLY 83 HA2 GLY 83 117.605 2.512 -3.358 573 HA3 GLY 83 HA1 GLY 83 115.927 2.760 -2.870 574 H ASP 84 HN ASP 84 116.954 4.269 -1.290 575 HA ASP 84 HA ASP 84 118.110 2.864 1.092 576 HB2 ASP 84 HB2 ASP 84 118.150 5.813 0.374 577 HB3 ASP 84 HB1 ASP 84 118.950 5.070 1.758 578 H TYR 85 HN TYR 85 116.033 2.191 1.903 579 HA TYR 85 HA TYR 85 113.930 4.162 2.330 580 HB2 TYR 85 HB2 TYR 85 114.324 1.257 2.808 581 HB3 TYR 85 HB1 TYR 85 113.262 2.047 3.972 582 HD1 TYR 85 HD2 TYR 85 111.239 3.290 3.159 583 HD2 TYR 85 HD1 TYR 85 113.647 0.871 0.552 584 HE1 TYR 85 HE2 TYR 85 109.400 3.252 1.496 585 HE2 TYR 85 HE1 TYR 85 111.811 0.831 -1.110 586 HH TYR 85 HH TYR 85 108.786 2.632 -0.546 587 H GLU 86 HN GLU 86 113.735 5.466 4.036 588 HA GLU 86 HA GLU 86 115.641 5.153 6.324 589 HB2 GLU 86 HB2 GLU 86 114.310 7.756 6.265 590 HB3 GLU 86 HB1 GLU 86 116.030 7.400 6.146 591 HG2 GLU 86 HG2 GLU 86 114.149 7.165 3.785 592 HG3 GLU 86 HG1 GLU 86 115.019 8.641 4.162 593 H VAL 87 HN VAL 87 114.760 4.662 8.277 594 HA VAL 87 HA VAL 87 111.815 5.093 8.660 595 HB VAL 87 HB VAL 87 112.568 2.706 8.239 596 HG11 VAL 87 HG11 VAL 87 113.614 2.838 11.067 597 HG12 VAL 87 HG12 VAL 87 114.674 3.031 9.670 598 HG13 VAL 87 HG13 VAL 87 113.781 1.528 9.898 599 HG21 VAL 87 HG21 VAL 87 111.135 1.812 10.039 600 HG22 VAL 87 HG22 VAL 87 110.440 3.286 9.364 601 HG23 VAL 87 HG23 VAL 87 111.281 3.337 10.914 602 H SER 88 HN SER 88 111.207 5.935 10.623 603 HA SER 88 HA SER 88 113.299 6.287 12.728 604 HB2 SER 88 HB2 SER 88 112.902 8.585 12.933 605 HB3 SER 88 HB1 SER 88 112.819 8.359 11.189 606 HG SER 88 HG SER 88 111.018 9.487 12.499 607 H ILE 89 HN ILE 89 112.465 4.964 14.268 608 HA ILE 89 HA ILE 89 109.570 5.289 14.998 609 HB ILE 89 HB ILE 89 109.472 3.036 15.525 610 HG12 ILE 89 HG12 ILE 89 112.463 3.170 15.996 611 HG13 ILE 89 HG11 ILE 89 111.212 2.901 17.203 612 HG21 ILE 89 HG21 ILE 89 110.197 3.468 13.093 613 HG22 ILE 89 HG22 ILE 89 110.375 1.824 13.703 614 HG23 ILE 89 HG23 ILE 89 111.783 2.880 13.591 615 HD11 ILE 89 HD11 ILE 89 112.311 0.999 15.163 616 HD12 ILE 89 HD12 ILE 89 110.627 0.814 15.657 617 HD13 ILE 89 HD13 ILE 89 111.912 0.717 16.856 618 H LYS 90 HN LYS 90 109.134 6.138 16.927 619 HA LYS 90 HA LYS 90 111.176 6.065 19.083 620 HB2 LYS 90 HB2 LYS 90 110.724 8.423 19.568 621 HB3 LYS 90 HB1 LYS 90 111.342 8.270 17.934 622 HG2 LYS 90 HG2 LYS 90 108.704 8.021 17.391 623 HG3 LYS 90 HG1 LYS 90 108.573 8.955 18.869 624 HD2 LYS 90 HD2 LYS 90 108.754 10.712 17.369 625 HD3 LYS 90 HD1 LYS 90 110.472 10.441 17.655 626 HE2 LYS 90 HE2 LYS 90 108.874 9.173 15.414 627 HE3 LYS 90 HE1 LYS 90 109.912 10.587 15.225 628 HZ1 LYS 90 HZ1 LYS 90 111.064 8.554 14.611 629 HZ2 LYS 90 HZ2 LYS 90 110.790 7.907 16.159 630 HZ3 LYS 90 HZ3 LYS 90 111.790 9.267 15.968 631 H PHE 91 HN PHE 91 110.150 5.287 20.916 632 HA PHE 91 HA PHE 91 107.175 5.279 20.902 633 HB2 PHE 91 HB2 PHE 91 108.177 3.238 21.682 634 HB3 PHE 91 HB1 PHE 91 109.212 4.099 22.805 635 HD1 PHE 91 HD1 PHE 91 105.553 3.989 21.969 636 HD2 PHE 91 HD2 PHE 91 108.540 3.977 25.057 637 HE1 PHE 91 HE1 PHE 91 103.781 3.821 23.690 638 HE2 PHE 91 HE2 PHE 91 106.767 3.808 26.780 639 HZ PHE 91 HZ PHE 91 104.389 3.729 26.087 640 H ASN 92 HN ASN 92 106.412 7.286 21.321 641 HA ASN 92 HA ASN 92 105.844 9.149 22.618 642 HB2 ASN 92 HB2 ASN 92 106.277 7.376 24.550 643 HB3 ASN 92 HB1 ASN 92 107.738 8.324 24.817 644 HD21 ASN 92 HD21 ASN 92 107.478 10.077 26.197 645 HD22 ASN 92 HD22 ASN 92 106.004 10.853 26.522 646 H ASP 93 HN ASP 93 108.013 9.093 20.707 647 HA ASP 93 HA ASP 93 109.571 10.665 19.948 648 HB2 ASP 93 HB2 ASP 93 109.644 12.061 22.605 649 HB3 ASP 93 HB1 ASP 93 109.835 12.709 20.978 650 H GLU 94 HN GLU 94 110.167 8.223 21.885 651 HA GLU 94 HA GLU 94 112.932 9.102 22.639 652 HB2 GLU 94 HB2 GLU 94 113.059 7.133 24.006 653 HB3 GLU 94 HB1 GLU 94 111.498 7.884 24.330 654 HG2 GLU 94 HG2 GLU 94 110.659 6.275 22.418 655 HG3 GLU 94 HG1 GLU 94 112.107 5.373 22.804 656 H HIS 95 HN HIS 95 114.060 9.057 20.740 657 HA HIS 95 HA HIS 95 113.632 7.080 18.679 658 HB2 HIS 95 HB2 HIS 95 115.863 8.009 17.817 659 HB3 HIS 95 HB1 HIS 95 114.547 9.172 17.985 660 HD1 HIS 95 HD1 HIS 95 117.928 8.362 19.253 661 HD2 HIS 95 HD2 HIS 95 114.778 10.860 20.357 662 HE1 HIS 95 HE1 HIS 95 118.869 9.998 20.943 663 H ILE 96 HN ILE 96 114.050 4.962 19.187 664 HA ILE 96 HA ILE 96 115.904 4.042 21.108 665 HB ILE 96 HB ILE 96 115.878 1.884 19.734 666 HG12 ILE 96 HG12 ILE 96 113.794 3.320 18.080 667 HG13 ILE 96 HG11 ILE 96 115.480 3.260 17.569 668 HG21 ILE 96 HG21 ILE 96 113.352 1.611 20.060 669 HG22 ILE 96 HG22 ILE 96 113.345 3.293 20.590 670 HG23 ILE 96 HG23 ILE 96 114.276 2.091 21.483 671 HD11 ILE 96 HD11 ILE 96 115.449 0.821 17.600 672 HD12 ILE 96 HD12 ILE 96 114.128 1.410 16.591 673 HD13 ILE 96 HD13 ILE 96 113.799 0.824 18.223 674 HA PRO 97 HA PRO 97 119.885 4.825 19.302 675 HB2 PRO 97 HB2 PRO 97 120.978 2.180 19.832 676 HB3 PRO 97 HB1 PRO 97 121.289 3.684 20.708 677 HG2 PRO 97 HG2 PRO 97 119.642 1.437 21.549 678 HG3 PRO 97 HG1 PRO 97 120.041 2.899 22.462 679 HD2 PRO 97 HD2 PRO 97 117.499 2.240 21.330 680 HD3 PRO 97 HD1 PRO 97 117.966 3.785 22.068 681 H ASP 98 HN ASP 98 118.806 4.822 17.198 682 HA ASP 98 HA ASP 98 119.974 3.195 15.206 683 HB2 ASP 98 HB2 ASP 98 117.494 2.086 16.447 684 HB3 ASP 98 HB1 ASP 98 117.549 2.055 14.685 685 H SER 99 HN SER 99 116.657 4.328 15.812 686 HA SER 99 HA SER 99 116.280 5.399 13.255 687 HB2 SER 99 HB2 SER 99 115.049 5.946 15.930 688 HB3 SER 99 HB1 SER 99 114.571 6.920 14.545 689 HG SER 99 HG SER 99 113.648 4.587 15.190 690 HA PRO 100 HA PRO 100 115.752 6.884 11.865 691 HB2 PRO 100 HB2 PRO 100 116.777 8.689 10.035 692 HB3 PRO 100 HB1 PRO 100 115.434 9.050 11.131 693 HG2 PRO 100 HG2 PRO 100 118.197 10.088 11.205 694 HG3 PRO 100 HG1 PRO 100 116.758 10.697 12.037 695 HD2 PRO 100 HD2 PRO 100 118.904 9.083 13.152 696 HD3 PRO 100 HD1 PRO 100 117.478 9.728 13.991 697 H PHE 101 HN PHE 101 116.705 4.890 11.019 698 HA PHE 101 HA PHE 101 119.486 5.147 9.866 699 HB2 PHE 101 HB2 PHE 101 119.705 2.706 10.138 700 HB3 PHE 101 HB1 PHE 101 119.461 3.525 11.676 701 HD1 PHE 101 HD1 PHE 101 117.304 3.405 12.800 702 HD2 PHE 101 HD2 PHE 101 118.042 1.169 9.249 703 HE1 PHE 101 HE1 PHE 101 115.390 1.978 13.352 704 HE2 PHE 101 HE2 PHE 101 116.093 -0.278 9.768 705 HZ PHE 101 HZ PHE 101 114.760 0.125 11.820 706 H VAL 102 HN VAL 102 119.882 3.599 8.015 707 HA VAL 102 HA VAL 102 117.664 3.928 6.081 708 HB VAL 102 HB VAL 102 119.878 4.720 5.414 709 HG11 VAL 102 HG11 VAL 102 121.748 3.153 5.162 710 HG12 VAL 102 HG12 VAL 102 120.744 1.833 5.761 711 HG13 VAL 102 HG13 VAL 102 121.189 3.159 6.834 712 HG21 VAL 102 HG21 VAL 102 118.302 3.632 3.744 713 HG22 VAL 102 HG22 VAL 102 119.261 2.162 3.912 714 HG23 VAL 102 HG23 VAL 102 120.001 3.628 3.274 715 H VAL 103 HN VAL 103 116.923 2.196 4.774 716 HA VAL 103 HA VAL 103 117.499 -0.573 5.780 717 HB VAL 103 HB VAL 103 114.853 0.671 4.992 718 HG11 VAL 103 HG11 VAL 103 114.018 -1.701 5.634 719 HG12 VAL 103 HG12 VAL 103 115.683 -2.211 5.361 720 HG13 VAL 103 HG13 VAL 103 114.752 -1.500 4.045 721 HG21 VAL 103 HG21 VAL 103 115.834 0.955 7.353 722 HG22 VAL 103 HG22 VAL 103 115.605 -0.784 7.534 723 HG23 VAL 103 HG23 VAL 103 114.215 0.262 7.251 724 HA PRO 104 HA PRO 104 118.476 -0.116 1.279 725 HB2 PRO 104 HB2 PRO 104 120.233 -2.428 1.564 726 HB3 PRO 104 HB1 PRO 104 120.666 -0.752 1.196 727 HG2 PRO 104 HG2 PRO 104 121.142 -2.117 3.654 728 HG3 PRO 104 HG1 PRO 104 121.359 -0.386 3.350 729 HD2 PRO 104 HD2 PRO 104 119.249 -1.720 4.888 730 HD3 PRO 104 HD1 PRO 104 119.618 0.015 4.793 731 H VAL 105 HN VAL 105 116.817 -0.892 0.085 732 HA VAL 105 HA VAL 105 115.881 -3.697 0.435 733 HB VAL 105 HB VAL 105 114.810 -1.304 -1.083 734 HG11 VAL 105 HG11 VAL 105 114.329 -3.419 -2.338 735 HG12 VAL 105 HG12 VAL 105 112.876 -2.670 -1.691 736 HG13 VAL 105 HG13 VAL 105 113.579 -4.066 -0.882 737 HG21 VAL 105 HG21 VAL 105 114.545 -1.358 1.390 738 HG22 VAL 105 HG22 VAL 105 113.654 -2.868 1.220 739 HG23 VAL 105 HG23 VAL 105 113.014 -1.384 0.519 740 H ALA 106 HN ALA 106 116.106 -5.206 -1.321 741 HA ALA 106 HA ALA 106 117.719 -4.276 -3.684 742 HB1 ALA 106 HB1 ALA 106 118.926 -5.466 -1.632 743 HB2 ALA 106 HB2 ALA 106 119.399 -5.789 -3.294 744 HB3 ALA 106 HB3 ALA 106 118.354 -6.924 -2.441 745 H SER 107 HN SER 107 117.145 -5.185 -5.586 746 HA SER 107 HA SER 107 115.065 -7.337 -5.638 747 HB2 SER 107 HB2 SER 107 114.543 -5.039 -6.671 748 HB3 SER 107 HB1 SER 107 115.758 -5.420 -7.884 749 HG SER 107 HG SER 107 113.937 -7.427 -7.388 750 H LEU 108 HN LEU 108 117.153 -8.603 -5.252 751 HA LEU 108 HA LEU 108 118.513 -10.296 -6.185 752 HB2 LEU 108 HB2 LEU 108 116.909 -9.815 -8.324 753 HB3 LEU 108 HB1 LEU 108 118.406 -9.138 -8.956 754 HG LEU 108 HG LEU 108 119.471 -11.397 -8.104 755 HD11 LEU 108 HD11 LEU 108 116.534 -12.116 -8.377 756 HD12 LEU 108 HD12 LEU 108 117.520 -12.260 -6.922 757 HD13 LEU 108 HD13 LEU 108 117.846 -13.291 -8.313 758 HD21 LEU 108 HD21 LEU 108 117.672 -11.200 -10.540 759 HD22 LEU 108 HD22 LEU 108 118.871 -12.470 -10.292 760 HD23 LEU 108 HD23 LEU 108 119.386 -10.792 -10.458 761 H SER 109 HN SER 109 118.757 -7.046 -6.100 762 HA SER 109 HA SER 109 121.444 -6.675 -7.193 763 HB2 SER 109 HB2 SER 109 120.044 -4.797 -5.313 764 HB3 SER 109 HB1 SER 109 121.179 -4.426 -6.612 765 HG SER 109 HG SER 109 119.396 -4.086 -7.684 766 H ASP 110 HN ASP 110 119.981 -7.485 -4.131 767 HA ASP 110 HA ASP 110 120.940 -7.873 -2.013 768 HB2 ASP 110 HB2 ASP 110 123.300 -8.731 -3.715 769 HB3 ASP 110 HB1 ASP 110 122.940 -9.258 -2.070 770 H ASP 111 HN ASP 111 121.594 -5.316 -3.635 771 HA ASP 111 HA ASP 111 123.184 -4.049 -1.600 772 HB2 ASP 111 HB2 ASP 111 124.920 -5.373 -2.923 773 HB3 ASP 111 HB1 ASP 111 124.558 -4.311 -4.284 774 H ALA 112 HN ALA 112 121.729 -4.017 -4.828 775 HA ALA 112 HA ALA 112 120.818 -2.210 -6.050 776 HB1 ALA 112 HB1 ALA 112 120.496 -0.792 -3.408 777 HB2 ALA 112 HB2 ALA 112 119.548 -2.232 -3.775 778 HB3 ALA 112 HB3 ALA 112 119.410 -0.802 -4.798 779 H ARG 113 HN ARG 113 122.603 -1.361 -7.168 780 HA ARG 113 HA ARG 113 124.616 0.267 -5.904 781 HB2 ARG 113 HB2 ARG 113 123.852 -0.039 -8.822 782 HB3 ARG 113 HB1 ARG 113 125.329 0.703 -8.230 783 HG2 ARG 113 HG2 ARG 113 124.641 -2.091 -7.350 784 HG3 ARG 113 HG1 ARG 113 125.338 -1.838 -8.947 785 HD2 ARG 113 HD2 ARG 113 127.387 -1.155 -8.098 786 HD3 ARG 113 HD1 ARG 113 126.684 -0.505 -6.618 787 HE ARG 113 HE ARG 113 126.254 -3.230 -6.403 788 HH11 ARG 113 HH21 ARG 113 128.945 -1.166 -7.026 789 HH12 ARG 113 HH22 ARG 113 130.096 -2.218 -6.272 790 HH21 ARG 113 HH11 ARG 113 127.740 -4.615 -5.415 791 HH22 ARG 113 HH12 ARG 113 129.414 -4.171 -5.361 792 H ARG 114 HN ARG 114 124.810 2.402 -7.783 793 HA ARG 114 HA ARG 114 122.311 3.992 -7.391 794 HB2 ARG 114 HB2 ARG 114 124.047 4.336 -5.502 795 HB3 ARG 114 HB1 ARG 114 125.047 5.105 -6.733 796 HG2 ARG 114 HG2 ARG 114 122.635 6.388 -7.143 797 HG3 ARG 114 HG1 ARG 114 122.568 6.104 -5.411 798 HD2 ARG 114 HD2 ARG 114 124.550 7.724 -6.986 799 HD3 ARG 114 HD1 ARG 114 123.637 8.195 -5.557 800 HE ARG 114 HE ARG 114 126.263 7.075 -5.579 801 HH11 ARG 114 HH21 ARG 114 123.238 6.681 -3.958 802 HH12 ARG 114 HH22 ARG 114 123.924 5.813 -2.630 803 HH21 ARG 114 HH11 ARG 114 127.162 5.975 -3.846 804 HH22 ARG 114 HH12 ARG 114 126.141 5.422 -2.560 805 H LEU 115 HN LEU 115 124.579 2.858 -9.443 806 HA LEU 115 HA LEU 115 124.366 5.207 -11.300 807 HB2 LEU 115 HB2 LEU 115 126.624 4.080 -12.218 808 HB3 LEU 115 HB1 LEU 115 126.653 5.277 -10.927 809 HG LEU 115 HG LEU 115 126.295 2.389 -10.156 810 HD11 LEU 115 HD11 LEU 115 128.768 2.109 -10.092 811 HD12 LEU 115 HD12 LEU 115 128.943 3.640 -10.949 812 HD13 LEU 115 HD13 LEU 115 128.153 2.274 -11.737 813 HD21 LEU 115 HD21 LEU 115 127.197 3.090 -8.108 814 HD22 LEU 115 HD22 LEU 115 126.334 4.538 -8.625 815 HD23 LEU 115 HD23 LEU 115 128.080 4.433 -8.835 816 H THR 116 HN THR 116 124.211 1.768 -10.822 817 HA THR 116 HA THR 116 123.479 1.333 -13.692 818 HB THR 116 HB THR 116 124.341 -0.643 -11.558 819 HG1 THR 116 HG1 THR 116 125.581 0.421 -13.869 820 HG21 THR 116 HG21 THR 116 124.375 -2.229 -13.534 821 HG22 THR 116 HG22 THR 116 123.496 -0.998 -14.441 822 HG23 THR 116 HG23 THR 116 122.767 -1.728 -13.011 823 H VAL 117 HN VAL 117 122.682 -0.474 -10.772 824 HA VAL 117 HA VAL 117 119.918 -0.790 -11.486 825 HB VAL 117 HB VAL 117 121.365 -0.926 -8.825 826 HG11 VAL 117 HG11 VAL 117 118.494 -1.519 -9.569 827 HG12 VAL 117 HG12 VAL 117 119.093 -0.507 -8.254 828 HG13 VAL 117 HG13 VAL 117 119.260 -2.260 -8.164 829 HG21 VAL 117 HG21 VAL 117 120.249 -3.153 -10.552 830 HG22 VAL 117 HG22 VAL 117 121.305 -3.315 -9.149 831 HG23 VAL 117 HG23 VAL 117 121.923 -2.606 -10.641 832 H THR 118 HN THR 118 121.769 1.791 -10.553 833 HA THR 118 HA THR 118 121.381 3.852 -9.537 834 HB THR 118 HB THR 118 120.741 4.245 -11.803 835 HG1 THR 118 HG1 THR 118 120.231 5.932 -10.454 836 HG21 THR 118 HG21 THR 118 119.190 2.461 -12.235 837 HG22 THR 118 HG22 THR 118 118.317 3.970 -12.485 838 HG23 THR 118 HG23 THR 118 118.074 3.050 -11.005 839 H SER 119 HN SER 119 120.779 2.413 -7.556 840 HA SER 119 HA SER 119 119.553 2.440 -5.573 841 HB2 SER 119 HB2 SER 119 118.239 4.296 -5.135 842 HB3 SER 119 HB1 SER 119 119.078 4.886 -6.568 843 HG SER 119 HG SER 119 116.990 5.177 -7.059 844 H1 MET 1 HT1 MET 1 127.739 16.628 -10.333 845 H2 MET 1 HT2 MET 1 128.354 17.781 -9.246 846 H3 MET 1 HT3 MET 1 127.807 18.261 -10.781 847 HA MET 1 HA MET 1 126.006 16.965 -8.828 848 HB2 MET 1 HB2 MET 1 126.689 19.901 -9.147 849 HB3 MET 1 HB1 MET 1 125.247 19.323 -8.312 850 HG2 MET 1 HG2 MET 1 126.762 17.945 -6.833 851 HG3 MET 1 HG1 MET 1 128.134 18.772 -7.573 852 HE1 MET 1 HE1 MET 1 127.895 21.561 -7.903 853 HE2 MET 1 HE2 MET 1 129.090 20.813 -6.847 854 HE3 MET 1 HE3 MET 1 128.201 22.231 -6.295 855 H ALA 2 HN ALA 2 125.041 15.993 -10.737 856 HA ALA 2 HA ALA 2 124.118 17.705 -12.919 857 HB1 ALA 2 HB1 ALA 2 124.708 15.314 -13.278 858 HB2 ALA 2 HB2 ALA 2 123.053 15.667 -13.773 859 HB3 ALA 2 HB3 ALA 2 123.359 14.845 -12.243 860 H SER 3 HN SER 3 122.191 18.780 -12.982 861 HA SER 3 HA SER 3 120.124 19.605 -12.221 862 HB2 SER 3 HB2 SER 3 118.431 17.963 -11.965 863 HB3 SER 3 HB1 SER 3 119.600 17.218 -13.051 864 HG SER 3 HG SER 3 118.862 15.924 -11.199 865 H LYS 4 HN LYS 4 118.582 19.432 -10.135 866 HA LYS 4 HA LYS 4 120.331 19.998 -7.868 867 HB2 LYS 4 HB2 LYS 4 117.303 19.932 -8.048 868 HB3 LYS 4 HB1 LYS 4 118.232 20.604 -6.710 869 HG2 LYS 4 HG2 LYS 4 119.349 22.134 -8.422 870 HG3 LYS 4 HG1 LYS 4 118.126 21.592 -9.567 871 HD2 LYS 4 HD2 LYS 4 117.069 23.484 -8.718 872 HD3 LYS 4 HD1 LYS 4 116.448 22.264 -7.608 873 HE2 LYS 4 HE2 LYS 4 117.188 23.978 -6.170 874 HE3 LYS 4 HE1 LYS 4 118.539 22.847 -6.161 875 HZ1 LYS 4 HZ1 LYS 4 119.815 24.485 -6.886 876 HZ2 LYS 4 HZ2 LYS 4 118.485 25.532 -7.027 877 HZ3 LYS 4 HZ3 LYS 4 118.922 24.530 -8.327 878 HA PRO 5 HA PRO 5 120.227 15.930 -6.075 879 HB2 PRO 5 HB2 PRO 5 119.767 16.830 -3.354 880 HB3 PRO 5 HB1 PRO 5 121.288 16.286 -4.077 881 HG2 PRO 5 HG2 PRO 5 120.489 19.011 -3.423 882 HG3 PRO 5 HG1 PRO 5 122.051 18.446 -4.034 883 HD2 PRO 5 HD2 PRO 5 120.098 19.947 -5.487 884 HD3 PRO 5 HD1 PRO 5 121.572 19.202 -6.138 885 H GLU 6 HN GLU 6 118.314 14.947 -6.703 886 HA GLU 6 HA GLU 6 115.719 15.925 -5.775 887 HB2 GLU 6 HB2 GLU 6 114.997 13.648 -6.910 888 HB3 GLU 6 HB1 GLU 6 115.539 14.994 -7.910 889 HG2 GLU 6 HG2 GLU 6 116.585 12.769 -8.493 890 HG3 GLU 6 HG1 GLU 6 117.742 14.048 -8.134 891 H LYS 7 HN LYS 7 114.230 14.601 -4.502 892 HA LYS 7 HA LYS 7 115.657 12.892 -2.489 893 HB2 LYS 7 HB2 LYS 7 113.004 14.346 -2.247 894 HB3 LYS 7 HB1 LYS 7 113.827 13.465 -0.963 895 HG2 LYS 7 HG2 LYS 7 115.201 15.743 -2.397 896 HG3 LYS 7 HG1 LYS 7 114.101 16.056 -1.058 897 HD2 LYS 7 HD2 LYS 7 115.465 14.464 0.344 898 HD3 LYS 7 HD1 LYS 7 116.627 14.382 -0.982 899 HE2 LYS 7 HE2 LYS 7 117.372 16.060 0.618 900 HE3 LYS 7 HE1 LYS 7 116.867 16.866 -0.867 901 HZ1 LYS 7 HZ1 LYS 7 115.330 17.974 0.251 902 HZ2 LYS 7 HZ2 LYS 7 115.915 17.304 1.698 903 HZ3 LYS 7 HZ3 LYS 7 114.654 16.540 0.854 904 H ARG 8 HN ARG 8 114.221 11.118 -1.570 905 HA ARG 8 HA ARG 8 112.932 9.677 -3.813 906 HB2 ARG 8 HB2 ARG 8 113.168 8.599 -1.005 907 HB3 ARG 8 HB1 ARG 8 113.246 7.733 -2.542 908 HG2 ARG 8 HG2 ARG 8 115.386 9.086 -2.984 909 HG3 ARG 8 HG1 ARG 8 115.355 9.484 -1.273 910 HD2 ARG 8 HD2 ARG 8 115.004 6.748 -1.210 911 HD3 ARG 8 HD1 ARG 8 116.070 6.929 -2.597 912 HE ARG 8 HE ARG 8 116.894 7.066 0.092 913 HH11 ARG 8 HH21 ARG 8 117.077 9.032 -2.743 914 HH12 ARG 8 HH22 ARG 8 118.448 9.925 -2.185 915 HH21 ARG 8 HH11 ARG 8 118.684 8.215 0.814 916 HH22 ARG 8 HH12 ARG 8 119.362 9.459 -0.182 917 H VAL 9 HN VAL 9 110.768 8.641 -3.392 918 HA VAL 9 HA VAL 9 108.782 10.487 -2.684 919 HB VAL 9 HB VAL 9 108.846 7.474 -2.744 920 HG11 VAL 9 HG11 VAL 9 106.563 9.233 -1.820 921 HG12 VAL 9 HG12 VAL 9 107.245 7.827 -1.002 922 HG13 VAL 9 HG13 VAL 9 106.298 7.617 -2.475 923 HG21 VAL 9 HG21 VAL 9 107.495 7.741 -4.695 924 HG22 VAL 9 HG22 VAL 9 108.769 8.955 -4.818 925 HG23 VAL 9 HG23 VAL 9 107.148 9.426 -4.306 926 H ALA 10 HN ALA 10 107.391 10.532 -0.729 927 HA ALA 10 HA ALA 10 108.954 9.911 1.766 928 HB1 ALA 10 HB1 ALA 10 107.917 11.873 2.766 929 HB2 ALA 10 HB2 ALA 10 106.948 12.138 1.316 930 HB3 ALA 10 HB3 ALA 10 108.699 12.340 1.255 931 H SER 11 HN SER 11 107.618 9.511 3.687 932 HA SER 11 HA SER 11 104.810 8.725 3.250 933 HB2 SER 11 HB2 SER 11 107.012 6.747 3.867 934 HB3 SER 11 HB1 SER 11 105.320 6.419 4.230 935 HG SER 11 HG SER 11 105.463 5.697 2.228 936 H SER 12 HN SER 12 103.652 8.812 5.191 937 HA SER 12 HA SER 12 105.172 8.991 7.743 938 HB2 SER 12 HB2 SER 12 103.215 11.117 6.821 939 HB3 SER 12 HB1 SER 12 104.044 11.073 8.375 940 HG SER 12 HG SER 12 105.958 11.435 7.360 941 H VAL 13 HN VAL 13 104.201 7.447 8.929 942 HA VAL 13 HA VAL 13 101.346 7.616 9.499 943 HB VAL 13 HB VAL 13 101.205 6.297 7.482 944 HG11 VAL 13 HG11 VAL 13 102.502 4.217 7.206 945 HG12 VAL 13 HG12 VAL 13 103.308 4.518 8.745 946 HG13 VAL 13 HG13 VAL 13 103.571 5.609 7.384 947 HG21 VAL 13 HG21 VAL 13 100.071 4.390 8.308 948 HG22 VAL 13 HG22 VAL 13 99.954 5.560 9.620 949 HG23 VAL 13 HG23 VAL 13 101.138 4.254 9.705 950 H PHE 14 HN PHE 14 100.779 5.875 11.186 951 HA PHE 14 HA PHE 14 102.866 4.408 12.486 952 HB2 PHE 14 HB2 PHE 14 103.305 5.745 14.388 953 HB3 PHE 14 HB1 PHE 14 103.626 6.736 12.998 954 HD1 PHE 14 HD2 PHE 14 101.530 8.119 12.107 955 HD2 PHE 14 HD1 PHE 14 102.008 6.663 16.118 956 HE1 PHE 14 HE2 PHE 14 99.934 9.826 12.920 957 HE2 PHE 14 HE1 PHE 14 100.419 8.372 16.933 958 HZ PHE 14 HZ PHE 14 99.373 9.956 15.333 959 H ILE 15 HN ILE 15 102.167 4.375 15.088 960 HA ILE 15 HA ILE 15 99.218 4.015 15.274 961 HB ILE 15 HB ILE 15 100.994 1.837 16.381 962 HG12 ILE 15 HG12 ILE 15 101.630 2.091 13.955 963 HG13 ILE 15 HG11 ILE 15 100.892 0.547 14.343 964 HG21 ILE 15 HG21 ILE 15 98.948 0.481 15.916 965 HG22 ILE 15 HG22 ILE 15 98.154 1.937 15.319 966 HG23 ILE 15 HG23 ILE 15 98.649 1.832 17.008 967 HD11 ILE 15 HD11 ILE 15 98.861 2.498 13.565 968 HD12 ILE 15 HD12 ILE 15 99.198 0.901 12.907 969 HD13 ILE 15 HD13 ILE 15 100.092 2.299 12.318 970 H THR 16 HN THR 16 98.586 3.663 17.625 971 HA THR 16 HA THR 16 100.525 5.025 19.480 972 HB THR 16 HB THR 16 98.543 5.959 20.628 973 HG1 THR 16 HG1 THR 16 96.789 4.878 20.236 974 HG21 THR 16 HG21 THR 16 98.637 6.484 17.644 975 HG22 THR 16 HG22 THR 16 99.622 7.281 18.871 976 HG23 THR 16 HG23 THR 16 97.878 7.540 18.835 977 H LEU 17 HN LEU 17 100.910 4.014 21.419 978 HA LEU 17 HA LEU 17 99.518 1.407 21.894 979 HB2 LEU 17 HB2 LEU 17 102.006 2.335 23.333 980 HB3 LEU 17 HB1 LEU 17 101.442 0.689 23.044 981 HG LEU 17 HG LEU 17 102.479 2.615 20.949 982 HD11 LEU 17 HD11 LEU 17 104.248 1.669 22.360 983 HD12 LEU 17 HD12 LEU 17 104.308 0.943 20.754 984 HD13 LEU 17 HD13 LEU 17 103.608 0.046 22.102 985 HD21 LEU 17 HD21 LEU 17 102.342 0.476 19.524 986 HD22 LEU 17 HD22 LEU 17 100.812 1.269 19.892 987 HD23 LEU 17 HD23 LEU 17 101.298 -0.168 20.790 988 H ALA 18 HN ALA 18 98.464 1.017 23.833 989 HA ALA 18 HA ALA 18 98.734 2.756 26.122 990 HB1 ALA 18 HB1 ALA 18 96.204 2.936 24.465 991 HB2 ALA 18 HB2 ALA 18 97.352 4.240 24.771 992 HB3 ALA 18 HB3 ALA 18 96.378 3.595 26.092 993 HA PRO 19 HA PRO 19 97.297 -1.145 27.745 994 HB2 PRO 19 HB2 PRO 19 96.344 -0.137 30.248 995 HB3 PRO 19 HB1 PRO 19 97.936 -0.834 29.921 996 HG2 PRO 19 HG2 PRO 19 97.216 1.995 30.309 997 HG3 PRO 19 HG1 PRO 19 98.821 1.249 30.315 998 HD2 PRO 19 HD2 PRO 19 97.742 2.869 28.244 999 HD3 PRO 19 HD1 PRO 19 99.209 1.869 28.146 1000 HA PRO 20 HA PRO 20 92.922 -0.844 26.746 1001 HB2 PRO 20 HB2 PRO 20 92.141 -3.263 28.058 1002 HB3 PRO 20 HB1 PRO 20 92.562 -3.077 26.350 1003 HG2 PRO 20 HG2 PRO 20 94.148 -4.303 28.506 1004 HG3 PRO 20 HG1 PRO 20 94.402 -4.390 26.756 1005 HD2 PRO 20 HD2 PRO 20 95.949 -2.869 28.599 1006 HD3 PRO 20 HD1 PRO 20 96.000 -2.752 26.826 1007 H ARG 21 HN ARG 21 93.613 -2.170 29.998 1008 HA ARG 21 HA ARG 21 92.054 0.020 31.239 1009 HB2 ARG 21 HB2 ARG 21 91.435 -2.910 31.738 1010 HB3 ARG 21 HB1 ARG 21 90.680 -1.540 32.551 1011 HG2 ARG 21 HG2 ARG 21 89.952 -0.724 30.258 1012 HG3 ARG 21 HG1 ARG 21 90.466 -2.284 29.626 1013 HD2 ARG 21 HD2 ARG 21 88.299 -1.724 31.650 1014 HD3 ARG 21 HD1 ARG 21 88.118 -2.492 30.078 1015 HE ARG 21 HE ARG 21 88.721 -3.798 32.567 1016 HH11 ARG 21 HH21 ARG 21 89.690 -3.801 29.250 1017 HH12 ARG 21 HH22 ARG 21 90.452 -5.351 29.350 1018 HH21 ARG 21 HH11 ARG 21 89.692 -5.813 32.696 1019 HH22 ARG 21 HH12 ARG 21 90.449 -6.490 31.293 1020 H ARG 22 HN ARG 22 93.719 0.767 32.516 1021 HA ARG 22 HA ARG 22 95.639 -1.069 33.728 1022 HB2 ARG 22 HB2 ARG 22 96.301 1.168 34.961 1023 HB3 ARG 22 HB1 ARG 22 96.644 0.982 33.244 1024 HG2 ARG 22 HG2 ARG 22 95.595 3.182 33.805 1025 HG3 ARG 22 HG1 ARG 22 94.652 2.244 32.651 1026 HD2 ARG 22 HD2 ARG 22 93.065 1.609 34.312 1027 HD3 ARG 22 HD1 ARG 22 94.123 2.129 35.624 1028 HE ARG 22 HE ARG 22 93.675 4.443 34.156 1029 HH11 ARG 22 HH21 ARG 22 91.755 2.000 35.645 1030 HH12 ARG 22 HH22 ARG 22 90.435 3.065 35.999 1031 HH21 ARG 22 HH11 ARG 22 91.963 5.849 34.610 1032 HH22 ARG 22 HH12 ARG 22 90.554 5.243 35.414 1033 H ASP 23 HN ASP 23 92.530 -0.638 34.453 1034 HA ASP 23 HA ASP 23 91.245 -0.889 36.405 1035 HB2 ASP 23 HB2 ASP 23 92.746 -2.959 36.422 1036 HB3 ASP 23 HB1 ASP 23 93.757 -2.097 37.582 1037 H VAL 24 HN VAL 24 93.077 -0.998 39.019 1038 HA VAL 24 HA VAL 24 92.624 1.814 39.672 1039 HB VAL 24 HB VAL 24 92.299 -0.009 41.337 1040 HG11 VAL 24 HG11 VAL 24 94.310 -1.324 40.468 1041 HG12 VAL 24 HG12 VAL 24 94.158 -1.228 42.222 1042 HG13 VAL 24 HG13 VAL 24 95.320 -0.202 41.381 1043 HG21 VAL 24 HG21 VAL 24 94.572 1.813 42.169 1044 HG22 VAL 24 HG22 VAL 24 93.275 1.176 43.180 1045 HG23 VAL 24 HG23 VAL 24 92.919 2.390 41.951 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 123.994 9.179 45.431 2 H2 GLY 1 HT2 GLY 1 123.891 8.721 47.063 3 H3 GLY 1 HT3 GLY 1 122.832 9.893 46.441 4 HA2 GLY 1 HA2 GLY 1 121.297 8.266 46.236 5 HA3 GLY 1 HA1 GLY 1 122.363 7.735 44.905 6 H ILE 2 HN ILE 2 120.866 5.862 45.873 7 HA ILE 2 HA ILE 2 122.963 3.934 45.382 8 HB ILE 2 HB ILE 2 122.180 2.715 47.653 9 HG12 ILE 2 HG12 ILE 2 121.870 4.330 49.476 10 HG13 ILE 2 HG11 ILE 2 121.942 5.665 48.332 11 HG21 ILE 2 HG21 ILE 2 124.534 3.537 46.964 12 HG22 ILE 2 HG22 ILE 2 124.195 3.360 48.681 13 HG23 ILE 2 HG23 ILE 2 124.175 4.958 47.946 14 HD11 ILE 2 HD11 ILE 2 119.603 4.933 49.021 15 HD12 ILE 2 HD12 ILE 2 119.896 3.443 48.129 16 HD13 ILE 2 HD13 ILE 2 119.892 4.991 47.284 17 HA PRO 3 HA PRO 3 118.274 3.237 44.486 18 HB2 PRO 3 HB2 PRO 3 118.921 3.066 41.685 19 HB3 PRO 3 HB1 PRO 3 117.950 4.308 42.487 20 HG2 PRO 3 HG2 PRO 3 120.723 4.493 41.510 21 HG3 PRO 3 HG1 PRO 3 119.627 5.797 41.994 22 HD2 PRO 3 HD2 PRO 3 121.856 4.929 43.478 23 HD3 PRO 3 HD1 PRO 3 120.496 5.886 44.109 24 H GLU 4 HN GLU 4 120.471 1.993 42.033 25 HA GLU 4 HA GLU 4 121.197 -0.253 41.655 26 HB2 GLU 4 HB2 GLU 4 121.390 -0.157 44.360 27 HB3 GLU 4 HB1 GLU 4 120.007 -1.243 44.244 28 HG2 GLU 4 HG2 GLU 4 121.915 -2.663 44.262 29 HG3 GLU 4 HG1 GLU 4 121.400 -2.600 42.575 30 H PHE 5 HN PHE 5 118.253 0.887 42.689 31 HA PHE 5 HA PHE 5 116.523 -1.260 41.705 32 HB2 PHE 5 HB2 PHE 5 116.343 1.324 43.265 33 HB3 PHE 5 HB1 PHE 5 114.927 0.907 42.269 34 HD1 PHE 5 HD2 PHE 5 117.267 -1.423 44.015 35 HD2 PHE 5 HD1 PHE 5 113.313 0.253 43.885 36 HE1 PHE 5 HE2 PHE 5 116.526 -3.035 45.749 37 HE2 PHE 5 HE1 PHE 5 112.573 -1.359 45.619 38 HZ PHE 5 HZ PHE 5 114.180 -3.002 46.551 39 H PHE 6 HN PHE 6 118.603 0.535 40.355 40 HA PHE 6 HA PHE 6 118.907 1.838 38.485 41 HB2 PHE 6 HB2 PHE 6 117.634 1.081 36.475 42 HB3 PHE 6 HB1 PHE 6 118.415 -0.235 37.348 43 HD1 PHE 6 HD2 PHE 6 117.102 -1.811 38.715 44 HD2 PHE 6 HD1 PHE 6 115.197 1.284 36.422 45 HE1 PHE 6 HE2 PHE 6 114.920 -2.958 38.975 46 HE2 PHE 6 HE1 PHE 6 113.018 0.136 36.684 47 HZ PHE 6 HZ PHE 6 112.878 -1.985 37.959 48 H GLN 7 HN GLN 7 116.837 2.568 36.568 49 HA GLN 7 HA GLN 7 115.103 4.152 36.279 50 HB2 GLN 7 HB2 GLN 7 114.368 3.274 38.727 51 HB3 GLN 7 HB1 GLN 7 115.009 4.842 39.213 52 HG2 GLN 7 HG2 GLN 7 113.522 5.969 37.615 53 HG3 GLN 7 HG1 GLN 7 112.900 4.409 37.076 54 HE21 GLN 7 HE21 GLN 7 113.452 5.997 40.283 55 HE22 GLN 7 HE22 GLN 7 111.934 5.573 40.912 56 H PHE 8 HN PHE 8 118.034 4.211 37.767 57 HA PHE 8 HA PHE 8 118.595 6.908 36.816 58 HB2 PHE 8 HB2 PHE 8 117.814 7.088 39.268 59 HB3 PHE 8 HB1 PHE 8 119.308 6.244 39.673 60 HD1 PHE 8 HD1 PHE 8 121.517 7.270 39.123 61 HD2 PHE 8 HD2 PHE 8 117.820 9.391 38.587 62 HE1 PHE 8 HE1 PHE 8 122.764 9.409 38.986 63 HE2 PHE 8 HE2 PHE 8 119.067 11.530 38.449 64 HZ PHE 8 HZ PHE 8 121.539 11.539 38.649 65 H THR 9 HN THR 9 119.642 3.954 38.307 66 HA THR 9 HA THR 9 122.406 4.322 37.252 67 HB THR 9 HB THR 9 121.197 2.103 38.943 68 HG1 THR 9 HG1 THR 9 121.746 3.258 40.608 69 HG21 THR 9 HG21 THR 9 123.747 1.768 39.404 70 HG22 THR 9 HG22 THR 9 123.968 2.655 37.896 71 HG23 THR 9 HG23 THR 9 123.067 1.138 37.905 72 H VAL 10 HN VAL 10 119.488 3.528 36.189 73 HA VAL 10 HA VAL 10 119.482 1.026 35.022 74 HB VAL 10 HB VAL 10 117.669 2.758 34.845 75 HG11 VAL 10 HG11 VAL 10 119.302 4.546 34.026 76 HG12 VAL 10 HG12 VAL 10 117.759 4.453 33.180 77 HG13 VAL 10 HG13 VAL 10 119.206 3.766 32.448 78 HG21 VAL 10 HG21 VAL 10 118.616 1.242 32.410 79 HG22 VAL 10 HG22 VAL 10 117.089 2.120 32.424 80 HG23 VAL 10 HG23 VAL 10 117.353 0.792 33.554 81 H GLY 11 HN GLY 11 121.044 3.942 33.754 82 HA2 GLY 11 HA2 GLY 11 123.380 3.501 32.833 83 HA3 GLY 11 HA1 GLY 11 122.643 2.233 31.865 84 HA PRO 12 HA PRO 12 121.770 5.207 28.702 85 HB2 PRO 12 HB2 PRO 12 119.189 4.405 27.916 86 HB3 PRO 12 HB1 PRO 12 120.697 3.665 27.359 87 HG2 PRO 12 HG2 PRO 12 118.752 2.660 29.378 88 HG3 PRO 12 HG1 PRO 12 119.862 1.750 28.346 89 HD2 PRO 12 HD2 PRO 12 120.256 2.212 31.072 90 HD3 PRO 12 HD1 PRO 12 121.540 1.791 29.920 91 H LEU 13 HN LEU 13 121.131 5.946 31.438 92 HA LEU 13 HA LEU 13 119.741 7.330 32.743 93 HB2 LEU 13 HB2 LEU 13 119.072 9.260 30.646 94 HB3 LEU 13 HB1 LEU 13 120.143 9.462 32.024 95 HG LEU 13 HG LEU 13 120.935 8.161 29.398 96 HD11 LEU 13 HD11 LEU 13 122.281 10.294 29.166 97 HD12 LEU 13 HD12 LEU 13 121.318 10.949 30.490 98 HD13 LEU 13 HD13 LEU 13 120.536 10.474 28.982 99 HD21 LEU 13 HD21 LEU 13 122.142 7.668 31.753 100 HD22 LEU 13 HD22 LEU 13 122.877 9.234 31.434 101 HD23 LEU 13 HD23 LEU 13 123.081 7.914 30.284 102 H GLY 14 HN GLY 14 118.450 5.192 31.199 103 HA2 GLY 14 HA2 GLY 14 116.240 4.421 30.928 104 HA3 GLY 14 HA1 GLY 14 115.683 5.936 31.647 105 H GLU 15 HN GLU 15 116.847 7.773 29.961 106 HA GLU 15 HA GLU 15 116.252 8.934 28.001 107 HB2 GLU 15 HB2 GLU 15 117.967 7.134 27.329 108 HB3 GLU 15 HB1 GLU 15 116.589 6.247 26.681 109 HG2 GLU 15 HG2 GLU 15 117.525 7.530 24.867 110 HG3 GLU 15 HG1 GLU 15 116.029 8.334 25.331 111 H GLY 16 HN GLY 16 114.213 7.048 29.482 112 HA2 GLY 16 HA2 GLY 16 111.949 6.574 29.315 113 HA3 GLY 16 HA1 GLY 16 111.883 7.882 28.137 114 H GLY 17 HN GLY 17 111.360 4.631 28.560 115 HA2 GLY 17 HA2 GLY 17 110.706 2.958 27.075 116 HA3 GLY 17 HA1 GLY 17 110.656 4.182 25.823 117 H ALA 18 HN ALA 18 113.293 4.940 25.628 118 HA ALA 18 HA ALA 18 114.418 2.956 23.989 119 HB1 ALA 18 HB1 ALA 18 115.210 5.523 24.936 120 HB2 ALA 18 HB2 ALA 18 115.927 4.616 23.606 121 HB3 ALA 18 HB3 ALA 18 116.575 4.447 25.234 122 H HIS 19 HN HIS 19 114.003 2.714 27.297 123 HA HIS 19 HA HIS 19 116.393 0.992 27.700 124 HB2 HIS 19 HB2 HIS 19 115.970 2.605 29.458 125 HB3 HIS 19 HB1 HIS 19 114.300 2.063 29.610 126 HD1 HIS 19 HD1 HIS 19 117.265 -0.262 29.257 127 HD2 HIS 19 HD2 HIS 19 114.532 0.923 32.174 128 HE1 HIS 19 HE1 HIS 19 117.609 -1.810 31.232 129 H LYS 20 HN LYS 20 113.157 0.639 26.730 130 HA LYS 20 HA LYS 20 113.257 -2.270 27.435 131 HB2 LYS 20 HB2 LYS 20 110.834 -2.198 27.968 132 HB3 LYS 20 HB1 LYS 20 111.795 -1.237 29.086 133 HG2 LYS 20 HG2 LYS 20 110.268 0.418 28.638 134 HG3 LYS 20 HG1 LYS 20 111.200 0.658 27.169 135 HD2 LYS 20 HD2 LYS 20 109.682 -1.011 26.027 136 HD3 LYS 20 HD1 LYS 20 108.695 -1.026 27.483 137 HE2 LYS 20 HE2 LYS 20 108.781 1.634 27.114 138 HE3 LYS 20 HE1 LYS 20 109.016 1.134 25.440 139 HZ1 LYS 20 HZ1 LYS 20 106.954 0.259 25.317 140 HZ2 LYS 20 HZ2 LYS 20 106.635 1.401 26.534 141 HZ3 LYS 20 HZ3 LYS 20 106.922 -0.223 26.942 142 H VAL 21 HN VAL 21 113.205 -0.129 24.983 143 HA VAL 21 HA VAL 21 111.158 -1.521 23.344 144 HB VAL 21 HB VAL 21 112.994 0.829 22.779 145 HG11 VAL 21 HG11 VAL 21 110.988 -0.611 21.023 146 HG12 VAL 21 HG12 VAL 21 112.687 -0.286 20.676 147 HG13 VAL 21 HG13 VAL 21 111.523 1.039 20.702 148 HG21 VAL 21 HG21 VAL 21 110.897 2.092 22.798 149 HG22 VAL 21 HG22 VAL 21 111.072 1.214 24.316 150 HG23 VAL 21 HG23 VAL 21 109.981 0.612 23.068 151 H ARG 22 HN ARG 22 111.717 -3.368 22.472 152 HA ARG 22 HA ARG 22 114.534 -3.842 21.604 153 HB2 ARG 22 HB2 ARG 22 113.497 -5.430 23.228 154 HB3 ARG 22 HB1 ARG 22 112.250 -5.774 22.038 155 HG2 ARG 22 HG2 ARG 22 113.765 -7.531 21.679 156 HG3 ARG 22 HG1 ARG 22 114.272 -6.369 20.459 157 HD2 ARG 22 HD2 ARG 22 116.197 -7.300 21.730 158 HD3 ARG 22 HD1 ARG 22 116.057 -5.556 21.930 159 HE ARG 22 HE ARG 22 114.624 -6.591 24.068 160 HH11 ARG 22 HH21 ARG 22 117.782 -6.975 22.738 161 HH12 ARG 22 HH22 ARG 22 118.526 -7.324 24.262 162 HH21 ARG 22 HH11 ARG 22 115.580 -7.045 26.068 163 HH22 ARG 22 HH12 ARG 22 117.281 -7.362 26.146 164 H ALA 23 HN ALA 23 114.956 -4.203 19.453 165 HA ALA 23 HA ALA 23 112.709 -4.681 17.575 166 HB1 ALA 23 HB1 ALA 23 112.963 -2.206 17.710 167 HB2 ALA 23 HB2 ALA 23 113.386 -2.830 16.116 168 HB3 ALA 23 HB3 ALA 23 114.657 -2.375 17.250 169 H GLY 24 HN GLY 24 113.422 -6.470 16.531 170 HA2 GLY 24 HA2 GLY 24 116.064 -6.408 15.218 171 HA3 GLY 24 HA1 GLY 24 115.864 -7.663 16.442 172 H GLY 25 HN GLY 25 115.857 -7.389 13.249 173 HA2 GLY 25 HA2 GLY 25 114.418 -9.807 12.783 174 HA3 GLY 25 HA1 GLY 25 113.390 -8.448 12.340 175 H THR 26 HN THR 26 113.810 -9.818 10.218 176 HA THR 26 HA THR 26 116.358 -9.265 8.887 177 HB THR 26 HB THR 26 115.074 -10.197 6.869 178 HG1 THR 26 HG1 THR 26 112.996 -9.864 7.441 179 HG21 THR 26 HG21 THR 26 115.434 -11.742 9.441 180 HG22 THR 26 HG22 THR 26 116.524 -11.671 8.056 181 HG23 THR 26 HG23 THR 26 114.985 -12.523 7.925 182 H GLY 27 HN GLY 27 113.224 -7.769 9.132 183 HA2 GLY 27 HA2 GLY 27 113.421 -6.132 6.763 184 HA3 GLY 27 HA1 GLY 27 112.358 -5.822 8.140 185 H LEU 28 HN LEU 28 114.961 -6.133 9.796 186 HA LEU 28 HA LEU 28 115.673 -3.252 9.687 187 HB2 LEU 28 HB2 LEU 28 116.310 -5.458 11.670 188 HB3 LEU 28 HB1 LEU 28 116.880 -3.803 11.827 189 HG LEU 28 HG LEU 28 113.951 -4.549 11.601 190 HD11 LEU 28 HD11 LEU 28 115.751 -4.243 14.004 191 HD12 LEU 28 HD12 LEU 28 114.577 -5.512 13.653 192 HD13 LEU 28 HD13 LEU 28 114.024 -3.906 14.124 193 HD21 LEU 28 HD21 LEU 28 115.477 -1.994 12.106 194 HD22 LEU 28 HD22 LEU 28 113.863 -2.189 12.783 195 HD23 LEU 28 HD23 LEU 28 114.099 -2.275 11.042 196 H GLU 29 HN GLU 29 116.548 -5.184 7.625 197 HA GLU 29 HA GLU 29 119.486 -4.718 7.877 198 HB2 GLU 29 HB2 GLU 29 118.358 -7.304 6.786 199 HB3 GLU 29 HB1 GLU 29 120.028 -6.941 7.228 200 HG2 GLU 29 HG2 GLU 29 119.170 -6.582 9.611 201 HG3 GLU 29 HG1 GLU 29 117.662 -7.321 9.072 202 H ARG 30 HN ARG 30 116.857 -5.802 5.680 203 HA ARG 30 HA ARG 30 117.484 -3.778 3.734 204 HB2 ARG 30 HB2 ARG 30 118.319 -5.421 1.956 205 HB3 ARG 30 HB1 ARG 30 119.471 -4.993 3.221 206 HG2 ARG 30 HG2 ARG 30 119.063 -7.045 4.404 207 HG3 ARG 30 HG1 ARG 30 117.692 -7.438 3.364 208 HD2 ARG 30 HD2 ARG 30 119.648 -8.735 2.671 209 HD3 ARG 30 HD1 ARG 30 119.238 -7.562 1.418 210 HE ARG 30 HE ARG 30 121.098 -6.229 2.971 211 HH11 ARG 30 HH21 ARG 30 120.905 -9.279 1.378 212 HH12 ARG 30 HH22 ARG 30 122.605 -9.372 1.060 213 HH21 ARG 30 HH11 ARG 30 123.321 -6.330 2.564 214 HH22 ARG 30 HH12 ARG 30 123.973 -7.701 1.730 215 H GLY 31 HN GLY 31 116.421 -4.469 1.500 216 HA2 GLY 31 HA2 GLY 31 114.151 -6.338 1.848 217 HA3 GLY 31 HA1 GLY 31 113.746 -4.642 1.566 218 H VAL 32 HN VAL 32 112.864 -6.290 -0.381 219 HA VAL 32 HA VAL 32 114.764 -5.749 -2.627 220 HB VAL 32 HB VAL 32 113.336 -8.325 -1.986 221 HG11 VAL 32 HG11 VAL 32 112.874 -7.995 -4.325 222 HG12 VAL 32 HG12 VAL 32 114.244 -9.099 -4.238 223 HG13 VAL 32 HG13 VAL 32 114.504 -7.401 -4.623 224 HG21 VAL 32 HG21 VAL 32 116.203 -7.854 -2.808 225 HG22 VAL 32 HG22 VAL 32 115.516 -9.285 -2.040 226 HG23 VAL 32 HG23 VAL 32 115.679 -7.787 -1.125 227 H ALA 33 HN ALA 33 113.815 -5.311 -4.624 228 HA ALA 33 HA ALA 33 111.651 -3.691 -4.825 229 HB1 ALA 33 HB1 ALA 33 111.444 -5.235 -7.191 230 HB2 ALA 33 HB2 ALA 33 113.120 -5.382 -6.677 231 HB3 ALA 33 HB3 ALA 33 112.425 -3.789 -6.961 232 H GLY 34 HN GLY 34 109.645 -3.877 -4.094 233 HA2 GLY 34 HA2 GLY 34 107.534 -4.729 -3.602 234 HA3 GLY 34 HA1 GLY 34 107.683 -5.522 -5.164 235 H VAL 35 HN VAL 35 109.325 -6.018 -2.023 236 HA VAL 35 HA VAL 35 108.367 -8.838 -2.114 237 HB VAL 35 HB VAL 35 111.114 -7.778 -1.488 238 HG11 VAL 35 HG11 VAL 35 109.845 -10.390 -0.631 239 HG12 VAL 35 HG12 VAL 35 110.708 -9.223 0.371 240 HG13 VAL 35 HG13 VAL 35 111.592 -10.205 -0.796 241 HG21 VAL 35 HG21 VAL 35 110.036 -9.996 -3.261 242 HG22 VAL 35 HG22 VAL 35 111.742 -9.609 -3.069 243 HG23 VAL 35 HG23 VAL 35 110.649 -8.437 -3.805 244 HA PRO 36 HA PRO 36 106.685 -7.339 1.803 245 HB2 PRO 36 HB2 PRO 36 106.151 -10.053 2.701 246 HB3 PRO 36 HB1 PRO 36 104.991 -8.837 2.149 247 HG2 PRO 36 HG2 PRO 36 105.866 -11.196 0.732 248 HG3 PRO 36 HG1 PRO 36 104.720 -9.967 0.177 249 HD2 PRO 36 HD2 PRO 36 107.423 -10.401 -0.748 250 HD3 PRO 36 HD1 PRO 36 106.273 -9.157 -1.291 251 H ALA 37 HN ALA 37 107.648 -7.047 3.802 252 HA ALA 37 HA ALA 37 109.705 -8.977 4.740 253 HB1 ALA 37 HB1 ALA 37 110.203 -6.073 4.054 254 HB2 ALA 37 HB2 ALA 37 111.124 -7.487 3.542 255 HB3 ALA 37 HB3 ALA 37 111.213 -6.936 5.214 256 H GLU 38 HN GLU 38 110.197 -8.603 7.066 257 HA GLU 38 HA GLU 38 108.522 -6.632 8.469 258 HB2 GLU 38 HB2 GLU 38 107.152 -8.158 9.664 259 HB3 GLU 38 HB1 GLU 38 107.092 -8.728 7.997 260 HG2 GLU 38 HG2 GLU 38 109.074 -10.259 8.664 261 HG3 GLU 38 HG1 GLU 38 108.630 -9.875 10.331 262 H PHE 39 HN PHE 39 108.767 -6.927 10.880 263 HA PHE 39 HA PHE 39 111.156 -8.325 11.785 264 HB2 PHE 39 HB2 PHE 39 112.333 -6.336 12.609 265 HB3 PHE 39 HB1 PHE 39 112.157 -6.258 10.860 266 HD1 PHE 39 HD2 PHE 39 109.922 -5.069 10.034 267 HD2 PHE 39 HD1 PHE 39 111.765 -4.434 13.854 268 HE1 PHE 39 HE2 PHE 39 108.784 -2.875 10.215 269 HE2 PHE 39 HE1 PHE 39 110.633 -2.236 14.033 270 HZ PHE 39 HZ PHE 39 109.141 -1.457 12.212 271 H SER 40 HN SER 40 111.398 -7.926 14.185 272 HA SER 40 HA SER 40 108.681 -7.834 15.377 273 HB2 SER 40 HB2 SER 40 111.296 -8.802 16.555 274 HB3 SER 40 HB1 SER 40 109.704 -8.973 17.289 275 HG SER 40 HG SER 40 109.400 -9.918 14.913 276 H ILE 41 HN ILE 41 108.250 -6.633 17.262 277 HA ILE 41 HA ILE 41 110.247 -4.633 18.171 278 HB ILE 41 HB ILE 41 107.413 -3.816 17.492 279 HG12 ILE 41 HG12 ILE 41 109.933 -3.578 15.821 280 HG13 ILE 41 HG11 ILE 41 108.460 -4.448 15.393 281 HG21 ILE 41 HG21 ILE 41 108.226 -1.593 17.822 282 HG22 ILE 41 HG22 ILE 41 109.904 -2.134 17.829 283 HG23 ILE 41 HG23 ILE 41 108.842 -2.537 19.178 284 HD11 ILE 41 HD11 ILE 41 107.315 -2.090 15.762 285 HD12 ILE 41 HD12 ILE 41 108.142 -2.444 14.249 286 HD13 ILE 41 HD13 ILE 41 108.949 -1.486 15.486 287 H TRP 42 HN TRP 42 110.235 -5.980 20.103 288 HA TRP 42 HA TRP 42 107.663 -6.212 21.566 289 HB2 TRP 42 HB2 TRP 42 109.031 -8.183 21.605 290 HB3 TRP 42 HB1 TRP 42 110.452 -7.263 22.076 291 HD1 TRP 42 HD1 TRP 42 107.377 -8.934 23.450 292 HE1 TRP 42 HE1 TRP 42 107.378 -8.782 26.024 293 HE3 TRP 42 HE3 TRP 42 111.245 -5.669 24.146 294 HZ2 TRP 42 HZ2 TRP 42 108.825 -7.455 28.100 295 HZ3 TRP 42 HZ3 TRP 42 111.912 -4.980 26.430 296 HH2 TRP 42 HH2 TRP 42 110.708 -5.867 28.407 297 H THR 43 HN THR 43 107.306 -5.207 23.588 298 HA THR 43 HA THR 43 109.347 -3.503 24.790 299 HB THR 43 HB THR 43 108.788 -1.911 23.143 300 HG1 THR 43 HG1 THR 43 107.403 -0.422 24.289 301 HG21 THR 43 HG21 THR 43 106.351 -1.439 22.591 302 HG22 THR 43 HG22 THR 43 105.954 -2.900 23.496 303 HG23 THR 43 HG23 THR 43 106.962 -3.003 22.053 304 H ARG 44 HN ARG 44 106.275 -2.169 25.204 305 HA ARG 44 HA ARG 44 104.837 -2.171 27.059 306 HB2 ARG 44 HB2 ARG 44 104.113 -4.266 25.980 307 HB3 ARG 44 HB1 ARG 44 105.357 -5.154 26.858 308 HG2 ARG 44 HG2 ARG 44 104.331 -4.577 28.991 309 HG3 ARG 44 HG1 ARG 44 103.137 -3.565 28.184 310 HD2 ARG 44 HD2 ARG 44 102.707 -5.897 26.859 311 HD3 ARG 44 HD1 ARG 44 103.260 -6.542 28.401 312 HE ARG 44 HE ARG 44 100.673 -5.527 27.904 313 HH11 ARG 44 HH21 ARG 44 103.237 -5.068 30.174 314 HH12 ARG 44 HH22 ARG 44 102.216 -4.349 31.368 315 HH21 ARG 44 HH11 ARG 44 99.340 -4.618 29.463 316 HH22 ARG 44 HH12 ARG 44 100.015 -4.102 30.972 317 H GLU 45 HN GLU 45 106.231 -1.088 28.542 318 HA GLU 45 HA GLU 45 106.880 -2.584 30.900 319 HB2 GLU 45 HB2 GLU 45 108.810 -3.061 29.130 320 HB3 GLU 45 HB1 GLU 45 109.389 -1.485 29.659 321 HG2 GLU 45 HG2 GLU 45 110.459 -3.070 31.084 322 HG3 GLU 45 HG1 GLU 45 109.167 -2.359 32.052 323 H ALA 46 HN ALA 46 108.210 0.301 29.188 324 HA ALA 46 HA ALA 46 108.403 1.921 31.508 325 HB1 ALA 46 HB1 ALA 46 109.342 2.478 29.221 326 HB2 ALA 46 HB2 ALA 46 108.523 3.816 30.021 327 HB3 ALA 46 HB3 ALA 46 107.708 2.926 28.736 328 H GLY 47 HN GLY 47 105.806 1.936 29.045 329 HA2 GLY 47 HA2 GLY 47 103.552 1.690 30.483 330 HA3 GLY 47 HA1 GLY 47 104.029 3.319 30.963 331 H ALA 48 HN ALA 48 101.998 4.002 29.922 332 HA ALA 48 HA ALA 48 101.317 3.633 27.212 333 HB1 ALA 48 HB1 ALA 48 100.948 6.130 28.896 334 HB2 ALA 48 HB2 ALA 48 99.847 4.754 28.851 335 HB3 ALA 48 HB3 ALA 48 100.069 5.753 27.415 336 H GLY 49 HN GLY 49 101.788 4.836 25.318 337 HA2 GLY 49 HA2 GLY 49 103.513 7.116 25.247 338 HA3 GLY 49 HA1 GLY 49 104.466 5.661 24.949 339 H GLY 50 HN GLY 50 104.407 7.372 22.894 340 HA2 GLY 50 HA2 GLY 50 102.490 6.136 20.936 341 HA3 GLY 50 HA1 GLY 50 102.885 7.855 20.897 342 H LEU 51 HN LEU 51 103.584 5.036 19.399 343 HA LEU 51 HA LEU 51 106.488 5.552 19.029 344 HB2 LEU 51 HB2 LEU 51 105.563 3.212 19.334 345 HB3 LEU 51 HB1 LEU 51 104.748 3.405 17.786 346 HG LEU 51 HG LEU 51 107.145 4.031 16.890 347 HD11 LEU 51 HD11 LEU 51 108.912 2.722 18.122 348 HD12 LEU 51 HD12 LEU 51 107.770 2.525 19.448 349 HD13 LEU 51 HD13 LEU 51 108.329 4.134 18.997 350 HD21 LEU 51 HD21 LEU 51 105.849 2.006 16.261 351 HD22 LEU 51 HD22 LEU 51 106.479 1.179 17.686 352 HD23 LEU 51 HD23 LEU 51 107.575 1.667 16.393 353 H SER 52 HN SER 52 106.632 7.377 17.720 354 HA SER 52 HA SER 52 104.933 7.698 15.353 355 HB2 SER 52 HB2 SER 52 105.466 9.776 16.285 356 HB3 SER 52 HB1 SER 52 107.111 9.282 16.677 357 HG SER 52 HG SER 52 107.334 10.523 14.901 358 H ILE 53 HN ILE 53 105.638 7.300 13.181 359 HA ILE 53 HA ILE 53 108.459 6.341 12.877 360 HB ILE 53 HB ILE 53 105.985 5.000 11.740 361 HG12 ILE 53 HG12 ILE 53 108.031 3.933 13.710 362 HG13 ILE 53 HG11 ILE 53 106.476 4.609 14.195 363 HG21 ILE 53 HG21 ILE 53 108.949 4.477 11.410 364 HG22 ILE 53 HG22 ILE 53 107.780 4.851 10.145 365 HG23 ILE 53 HG23 ILE 53 107.708 3.301 10.981 366 HD11 ILE 53 HD11 ILE 53 106.805 2.287 12.273 367 HD12 ILE 53 HD12 ILE 53 105.286 2.918 12.909 368 HD13 ILE 53 HD13 ILE 53 106.428 2.117 13.988 369 H ALA 54 HN ALA 54 109.369 7.702 11.429 370 HA ALA 54 HA ALA 54 107.676 8.897 9.271 371 HB1 ALA 54 HB1 ALA 54 109.405 10.595 9.089 372 HB2 ALA 54 HB2 ALA 54 110.449 9.706 10.198 373 HB3 ALA 54 HB3 ALA 54 108.956 10.438 10.787 374 H VAL 55 HN VAL 55 107.760 7.542 7.522 375 HA VAL 55 HA VAL 55 110.370 6.288 6.797 376 HB VAL 55 HB VAL 55 108.335 5.387 4.999 377 HG11 VAL 55 HG11 VAL 55 110.159 3.990 5.788 378 HG12 VAL 55 HG12 VAL 55 108.630 3.232 6.232 379 HG13 VAL 55 HG13 VAL 55 109.573 4.093 7.448 380 HG21 VAL 55 HG21 VAL 55 106.646 6.272 6.556 381 HG22 VAL 55 HG22 VAL 55 107.400 5.404 7.891 382 HG23 VAL 55 HG23 VAL 55 106.637 4.510 6.577 383 H GLU 56 HN GLU 56 111.459 6.884 4.974 384 HA GLU 56 HA GLU 56 110.080 8.633 2.983 385 HB2 GLU 56 HB2 GLU 56 111.374 10.129 4.461 386 HB3 GLU 56 HB1 GLU 56 112.813 9.164 4.199 387 HG2 GLU 56 HG2 GLU 56 113.058 10.973 2.688 388 HG3 GLU 56 HG1 GLU 56 112.471 9.665 1.673 389 H GLY 57 HN GLY 57 110.737 8.204 0.870 390 HA2 GLY 57 HA2 GLY 57 113.079 6.907 0.036 391 HA3 GLY 57 HA1 GLY 57 111.928 5.624 0.398 392 HA PRO 58 HA PRO 58 111.341 7.239 -3.981 393 HB2 PRO 58 HB2 PRO 58 111.301 4.449 -4.836 394 HB3 PRO 58 HB1 PRO 58 112.422 5.741 -5.272 395 HG2 PRO 58 HG2 PRO 58 112.964 3.508 -3.562 396 HG3 PRO 58 HG1 PRO 58 114.038 4.875 -3.895 397 HD2 PRO 58 HD2 PRO 58 112.524 4.321 -1.454 398 HD3 PRO 58 HD1 PRO 58 113.734 5.586 -1.739 399 H SER 59 HN SER 59 109.842 4.692 -2.061 400 HA SER 59 HA SER 59 107.201 5.509 -3.204 401 HB2 SER 59 HB2 SER 59 106.549 3.344 -3.792 402 HB3 SER 59 HB1 SER 59 108.240 3.359 -4.282 403 HG SER 59 HG SER 59 107.200 2.405 -1.813 404 H LYS 60 HN LYS 60 105.376 4.740 -1.859 405 HA LYS 60 HA LYS 60 106.014 5.060 0.981 406 HB2 LYS 60 HB2 LYS 60 103.366 4.528 -0.405 407 HB3 LYS 60 HB1 LYS 60 103.566 5.001 1.282 408 HG2 LYS 60 HG2 LYS 60 104.334 7.162 0.713 409 HG3 LYS 60 HG1 LYS 60 104.705 6.692 -0.945 410 HD2 LYS 60 HD2 LYS 60 102.657 8.035 -0.904 411 HD3 LYS 60 HD1 LYS 60 102.280 6.380 -1.382 412 HE2 LYS 60 HE2 LYS 60 100.710 7.385 0.343 413 HE3 LYS 60 HE1 LYS 60 101.442 5.850 0.807 414 HZ1 LYS 60 HZ1 LYS 60 102.555 8.493 1.564 415 HZ2 LYS 60 HZ2 LYS 60 103.023 6.969 2.151 416 HZ3 LYS 60 HZ3 LYS 60 101.499 7.605 2.552 417 H ALA 61 HN ALA 61 106.652 3.319 2.156 418 HA ALA 61 HA ALA 61 106.074 0.599 1.249 419 HB1 ALA 61 HB1 ALA 61 108.225 0.998 2.272 420 HB2 ALA 61 HB2 ALA 61 107.299 -0.026 3.370 421 HB3 ALA 61 HB3 ALA 61 107.469 1.697 3.704 422 H GLU 62 HN GLU 62 104.367 -0.637 1.918 423 HA GLU 62 HA GLU 62 102.324 0.500 3.603 424 HB2 GLU 62 HB2 GLU 62 102.179 -1.357 1.729 425 HB3 GLU 62 HB1 GLU 62 102.502 -2.461 3.064 426 HG2 GLU 62 HG2 GLU 62 100.106 -2.277 2.802 427 HG3 GLU 62 HG1 GLU 62 100.545 -1.428 4.278 428 H ILE 63 HN ILE 63 101.546 -0.827 5.613 429 HA ILE 63 HA ILE 63 103.823 -1.911 7.191 430 HB ILE 63 HB ILE 63 101.865 0.110 8.337 431 HG12 ILE 63 HG12 ILE 63 104.169 1.527 8.267 432 HG13 ILE 63 HG11 ILE 63 104.432 0.549 6.828 433 HG21 ILE 63 HG21 ILE 63 104.570 -0.887 9.286 434 HG22 ILE 63 HG22 ILE 63 103.014 -1.469 9.879 435 HG23 ILE 63 HG23 ILE 63 103.492 0.204 10.158 436 HD11 ILE 63 HD11 ILE 63 103.322 2.479 6.026 437 HD12 ILE 63 HD12 ILE 63 102.206 2.507 7.391 438 HD13 ILE 63 HD13 ILE 63 102.036 1.281 6.143 439 H ALA 64 HN ALA 64 103.066 -3.334 8.956 440 HA ALA 64 HA ALA 64 100.156 -3.854 9.066 441 HB1 ALA 64 HB1 ALA 64 102.170 -5.703 7.835 442 HB2 ALA 64 HB2 ALA 64 100.514 -5.373 7.337 443 HB3 ALA 64 HB3 ALA 64 100.823 -6.405 8.733 444 H PHE 65 HN PHE 65 99.799 -3.868 11.227 445 HA PHE 65 HA PHE 65 101.931 -4.811 13.068 446 HB2 PHE 65 HB2 PHE 65 100.411 -3.934 14.838 447 HB3 PHE 65 HB1 PHE 65 100.811 -2.708 13.635 448 HD1 PHE 65 HD1 PHE 65 99.160 -2.047 11.910 449 HD2 PHE 65 HD2 PHE 65 98.173 -4.822 15.037 450 HE1 PHE 65 HE1 PHE 65 96.748 -1.746 11.416 451 HE2 PHE 65 HE2 PHE 65 95.761 -4.521 14.543 452 HZ PHE 65 HZ PHE 65 95.049 -2.983 12.732 453 H GLU 66 HN GLU 66 101.901 -6.891 13.766 454 HA GLU 66 HA GLU 66 99.279 -8.271 14.128 455 HB2 GLU 66 HB2 GLU 66 100.294 -8.844 11.865 456 HB3 GLU 66 HB1 GLU 66 101.632 -9.585 12.744 457 HG2 GLU 66 HG2 GLU 66 100.066 -11.092 13.893 458 HG3 GLU 66 HG1 GLU 66 98.710 -10.338 13.054 459 H ASP 67 HN ASP 67 99.264 -9.029 16.176 460 HA ASP 67 HA ASP 67 101.801 -9.368 17.645 461 HB2 ASP 67 HB2 ASP 67 100.296 -9.827 19.579 462 HB3 ASP 67 HB1 ASP 67 99.928 -8.291 18.793 463 H ARG 68 HN ARG 68 102.842 -11.298 17.573 464 HA ARG 68 HA ARG 68 101.298 -13.757 16.886 465 HB2 ARG 68 HB2 ARG 68 103.284 -13.314 15.523 466 HB3 ARG 68 HB1 ARG 68 104.283 -13.223 16.974 467 HG2 ARG 68 HG2 ARG 68 103.954 -15.539 17.463 468 HG3 ARG 68 HG1 ARG 68 102.660 -15.677 16.272 469 HD2 ARG 68 HD2 ARG 68 105.495 -14.934 15.523 470 HD3 ARG 68 HD1 ARG 68 104.919 -16.601 15.542 471 HE ARG 68 HE ARG 68 103.053 -15.271 13.983 472 HH11 ARG 68 HH21 ARG 68 106.484 -15.606 14.046 473 HH12 ARG 68 HH22 ARG 68 106.663 -15.450 12.330 474 HH21 ARG 68 HH11 ARG 68 103.269 -15.063 11.743 475 HH22 ARG 68 HH12 ARG 68 104.844 -15.142 11.027 476 H LYS 69 HN LYS 69 102.959 -12.208 19.508 477 HA LYS 69 HA LYS 69 102.595 -14.671 21.193 478 HB2 LYS 69 HB2 LYS 69 104.697 -12.512 21.562 479 HB3 LYS 69 HB1 LYS 69 104.544 -14.008 22.477 480 HG2 LYS 69 HG2 LYS 69 104.889 -14.136 19.483 481 HG3 LYS 69 HG1 LYS 69 106.293 -13.863 20.507 482 HD2 LYS 69 HD2 LYS 69 104.413 -16.122 21.178 483 HD3 LYS 69 HD1 LYS 69 105.579 -16.331 19.875 484 HE2 LYS 69 HE2 LYS 69 107.421 -16.120 21.311 485 HE3 LYS 69 HE1 LYS 69 106.488 -15.286 22.552 486 HZ1 LYS 69 HZ1 LYS 69 105.189 -17.618 22.373 487 HZ2 LYS 69 HZ2 LYS 69 106.424 -17.298 23.494 488 HZ3 LYS 69 HZ3 LYS 69 106.777 -18.117 22.049 489 H ASP 70 HN ASP 70 101.372 -11.703 20.568 490 HA ASP 70 HA ASP 70 99.882 -10.376 21.819 491 HB2 ASP 70 HB2 ASP 70 99.668 -12.756 23.086 492 HB3 ASP 70 HB1 ASP 70 100.433 -11.843 24.381 493 H GLY 71 HN GLY 71 103.055 -11.219 22.972 494 HA2 GLY 71 HA2 GLY 71 103.284 -8.628 24.441 495 HA3 GLY 71 HA1 GLY 71 104.327 -10.025 24.681 496 H SER 72 HN SER 72 104.685 -10.592 21.856 497 HA SER 72 HA SER 72 106.666 -8.457 21.244 498 HB2 SER 72 HB2 SER 72 107.577 -10.074 19.640 499 HB3 SER 72 HB1 SER 72 107.400 -10.831 21.220 500 HG SER 72 HG SER 72 105.196 -10.967 19.550 501 H CYS 73 HN CYS 73 106.097 -6.896 19.809 502 HA CYS 73 HA CYS 73 103.702 -7.292 18.109 503 HB2 CYS 73 HB2 CYS 73 104.135 -5.157 19.403 504 HB3 CYS 73 HB1 CYS 73 105.476 -4.844 18.302 505 HG CYS 73 HG CYS 73 103.258 -5.301 16.490 506 H GLY 74 HN GLY 74 103.777 -7.567 15.910 507 HA2 GLY 74 HA2 GLY 74 106.486 -7.639 14.613 508 HA3 GLY 74 HA1 GLY 74 105.152 -8.692 14.163 509 H VAL 75 HN VAL 75 106.755 -5.887 13.356 510 HA VAL 75 HA VAL 75 104.370 -4.641 12.023 511 HB VAL 75 HB VAL 75 107.207 -3.643 12.432 512 HG11 VAL 75 HG11 VAL 75 104.812 -2.455 11.015 513 HG12 VAL 75 HG12 VAL 75 106.428 -2.722 10.362 514 HG13 VAL 75 HG13 VAL 75 106.164 -1.474 11.580 515 HG21 VAL 75 HG21 VAL 75 105.911 -1.918 13.811 516 HG22 VAL 75 HG22 VAL 75 105.988 -3.543 14.492 517 HG23 VAL 75 HG23 VAL 75 104.523 -2.996 13.679 518 H SER 76 HN SER 76 103.987 -5.692 10.140 519 HA SER 76 HA SER 76 106.253 -6.482 8.397 520 HB2 SER 76 HB2 SER 76 104.828 -8.255 8.126 521 HB3 SER 76 HB1 SER 76 103.479 -7.359 8.806 522 HG SER 76 HG SER 76 104.501 -7.177 6.159 523 H TYR 77 HN TYR 77 106.734 -5.375 6.535 524 HA TYR 77 HA TYR 77 104.791 -3.302 5.564 525 HB2 TYR 77 HB2 TYR 77 106.680 -1.736 5.251 526 HB3 TYR 77 HB1 TYR 77 106.547 -2.193 6.948 527 HD1 TYR 77 HD1 TYR 77 108.411 -2.736 3.797 528 HD2 TYR 77 HD2 TYR 77 108.275 -3.473 8.022 529 HE1 TYR 77 HE1 TYR 77 110.750 -3.550 3.727 530 HE2 TYR 77 HE2 TYR 77 110.616 -4.285 7.954 531 HH TYR 77 HH TYR 77 112.692 -3.765 6.220 532 H VAL 78 HN VAL 78 105.602 -2.493 3.310 533 HA VAL 78 HA VAL 78 107.040 -4.663 1.825 534 HB VAL 78 HB VAL 78 104.520 -5.006 1.722 535 HG11 VAL 78 HG11 VAL 78 103.133 -3.480 0.621 536 HG12 VAL 78 HG12 VAL 78 104.473 -2.713 -0.232 537 HG13 VAL 78 HG13 VAL 78 104.223 -2.397 1.484 538 HG21 VAL 78 HG21 VAL 78 104.564 -5.482 -0.686 539 HG22 VAL 78 HG22 VAL 78 106.115 -5.904 0.040 540 HG23 VAL 78 HG23 VAL 78 105.953 -4.413 -0.889 541 H VAL 79 HN VAL 79 108.661 -3.690 0.767 542 HA VAL 79 HA VAL 79 108.524 -0.814 0.121 543 HB VAL 79 HB VAL 79 110.882 -1.252 -0.725 544 HG11 VAL 79 HG11 VAL 79 111.694 -1.866 1.698 545 HG12 VAL 79 HG12 VAL 79 109.982 -1.807 2.108 546 HG13 VAL 79 HG13 VAL 79 110.783 -0.375 1.461 547 HG21 VAL 79 HG21 VAL 79 110.481 -3.948 0.607 548 HG22 VAL 79 HG22 VAL 79 111.884 -3.395 -0.305 549 HG23 VAL 79 HG23 VAL 79 110.367 -3.723 -1.138 550 H GLN 80 HN GLN 80 108.739 -0.023 -2.075 551 HA GLN 80 HA GLN 80 107.558 -1.889 -4.054 552 HB2 GLN 80 HB2 GLN 80 106.722 0.516 -3.562 553 HB3 GLN 80 HB1 GLN 80 108.103 1.039 -4.522 554 HG2 GLN 80 HG2 GLN 80 106.279 0.859 -6.057 555 HG3 GLN 80 HG1 GLN 80 107.277 -0.569 -6.333 556 HE21 GLN 80 HE21 GLN 80 104.253 0.544 -4.803 557 HE22 GLN 80 HE22 GLN 80 103.550 -0.997 -4.688 558 H GLU 81 HN GLU 81 110.411 0.332 -3.852 559 HA GLU 81 HA GLU 81 111.820 -1.538 -5.608 560 HB2 GLU 81 HB2 GLU 81 112.248 1.112 -6.760 561 HB3 GLU 81 HB1 GLU 81 111.778 -0.383 -7.563 562 HG2 GLU 81 HG2 GLU 81 109.454 -0.006 -7.040 563 HG3 GLU 81 HG1 GLU 81 109.872 1.359 -6.010 564 HA PRO 82 HA PRO 82 115.549 -0.680 -3.450 565 HB2 PRO 82 HB2 PRO 82 116.663 0.159 -6.091 566 HB3 PRO 82 HB1 PRO 82 117.347 -0.940 -4.876 567 HG2 PRO 82 HG2 PRO 82 116.096 -1.885 -7.116 568 HG3 PRO 82 HG1 PRO 82 116.055 -2.712 -5.565 569 HD2 PRO 82 HD2 PRO 82 113.840 -1.329 -6.914 570 HD3 PRO 82 HD1 PRO 82 113.798 -2.507 -5.601 571 H GLY 83 HN GLY 83 117.064 0.951 -2.917 572 HA2 GLY 83 HA2 GLY 83 117.515 3.494 -3.588 573 HA3 GLY 83 HA1 GLY 83 115.846 3.665 -3.039 574 H ASP 84 HN ASP 84 116.903 5.110 -1.408 575 HA ASP 84 HA ASP 84 118.138 3.592 0.863 576 HB2 ASP 84 HB2 ASP 84 118.092 6.594 0.451 577 HB3 ASP 84 HB1 ASP 84 119.086 5.678 1.585 578 H TYR 85 HN TYR 85 116.128 2.854 1.747 579 HA TYR 85 HA TYR 85 114.006 4.784 2.316 580 HB2 TYR 85 HB2 TYR 85 114.434 1.859 2.618 581 HB3 TYR 85 HB1 TYR 85 113.366 2.578 3.823 582 HD1 TYR 85 HD2 TYR 85 111.362 3.902 3.050 583 HD2 TYR 85 HD1 TYR 85 113.734 1.530 0.368 584 HE1 TYR 85 HE2 TYR 85 109.528 3.950 1.390 585 HE2 TYR 85 HE1 TYR 85 111.900 1.576 -1.298 586 HH TYR 85 HH TYR 85 108.780 3.113 -0.554 587 H GLU 86 HN GLU 86 113.828 5.972 4.121 588 HA GLU 86 HA GLU 86 115.762 5.480 6.369 589 HB2 GLU 86 HB2 GLU 86 114.699 8.187 6.397 590 HB3 GLU 86 HB1 GLU 86 116.371 7.674 6.206 591 HG2 GLU 86 HG2 GLU 86 114.430 7.639 3.878 592 HG3 GLU 86 HG1 GLU 86 115.344 9.077 4.304 593 H VAL 87 HN VAL 87 114.870 5.033 8.305 594 HA VAL 87 HA VAL 87 111.984 5.717 8.751 595 HB VAL 87 HB VAL 87 112.505 3.277 8.308 596 HG11 VAL 87 HG11 VAL 87 113.650 1.990 9.953 597 HG12 VAL 87 HG12 VAL 87 113.692 3.341 11.085 598 HG13 VAL 87 HG13 VAL 87 114.685 3.380 9.627 599 HG21 VAL 87 HG21 VAL 87 110.504 4.123 9.590 600 HG22 VAL 87 HG22 VAL 87 111.426 3.891 11.073 601 HG23 VAL 87 HG23 VAL 87 111.016 2.505 10.065 602 H SER 88 HN SER 88 111.487 6.582 10.725 603 HA SER 88 HA SER 88 113.667 6.794 12.770 604 HB2 SER 88 HB2 SER 88 111.710 8.999 12.073 605 HB3 SER 88 HB1 SER 88 113.061 9.097 13.199 606 HG SER 88 HG SER 88 113.040 9.513 10.564 607 H ILE 89 HN ILE 89 112.847 5.328 14.191 608 HA ILE 89 HA ILE 89 109.997 5.602 15.034 609 HB ILE 89 HB ILE 89 110.061 3.347 15.656 610 HG12 ILE 89 HG12 ILE 89 113.058 3.721 15.782 611 HG13 ILE 89 HG11 ILE 89 111.972 3.227 17.072 612 HG21 ILE 89 HG21 ILE 89 110.371 3.831 13.166 613 HG22 ILE 89 HG22 ILE 89 110.794 2.204 13.697 614 HG23 ILE 89 HG23 ILE 89 112.064 3.391 13.396 615 HD11 ILE 89 HD11 ILE 89 113.054 1.222 16.410 616 HD12 ILE 89 HD12 ILE 89 112.892 1.606 14.697 617 HD13 ILE 89 HD13 ILE 89 111.471 1.150 15.637 618 H LYS 90 HN LYS 90 109.515 6.249 17.077 619 HA LYS 90 HA LYS 90 111.603 6.266 19.179 620 HB2 LYS 90 HB2 LYS 90 111.023 8.578 19.760 621 HB3 LYS 90 HB1 LYS 90 111.659 8.513 18.126 622 HG2 LYS 90 HG2 LYS 90 109.023 8.150 17.571 623 HG3 LYS 90 HG1 LYS 90 108.860 9.048 19.067 624 HD2 LYS 90 HD2 LYS 90 108.946 10.828 17.585 625 HD3 LYS 90 HD1 LYS 90 110.671 10.647 17.893 626 HE2 LYS 90 HE2 LYS 90 109.201 9.299 15.610 627 HE3 LYS 90 HE1 LYS 90 110.097 10.811 15.452 628 HZ1 LYS 90 HZ1 LYS 90 112.065 9.597 16.330 629 HZ2 LYS 90 HZ2 LYS 90 111.529 9.044 14.814 630 HZ3 LYS 90 HZ3 LYS 90 111.176 8.156 16.219 631 H PHE 91 HN PHE 91 110.627 5.329 20.952 632 HA PHE 91 HA PHE 91 107.681 5.139 21.011 633 HB2 PHE 91 HB2 PHE 91 109.157 3.265 21.799 634 HB3 PHE 91 HB1 PHE 91 109.658 4.282 23.148 635 HD1 PHE 91 HD1 PHE 91 106.560 3.038 21.448 636 HD2 PHE 91 HD2 PHE 91 108.408 4.215 25.144 637 HE1 PHE 91 HE1 PHE 91 104.512 2.381 22.680 638 HE2 PHE 91 HE2 PHE 91 106.357 3.556 26.377 639 HZ PHE 91 HZ PHE 91 104.411 2.640 25.144 640 H ASN 92 HN ASN 92 106.791 7.122 21.406 641 HA ASN 92 HA ASN 92 106.105 8.949 22.693 642 HB2 ASN 92 HB2 ASN 92 106.523 7.145 24.595 643 HB3 ASN 92 HB1 ASN 92 107.930 8.143 24.956 644 HD21 ASN 92 HD21 ASN 92 104.495 8.851 24.054 645 HD22 ASN 92 HD22 ASN 92 104.253 9.971 25.306 646 H ASP 93 HN ASP 93 108.277 9.115 20.869 647 HA ASP 93 HA ASP 93 109.805 10.756 20.214 648 HB2 ASP 93 HB2 ASP 93 109.720 12.047 22.925 649 HB3 ASP 93 HB1 ASP 93 109.975 12.767 21.338 650 H GLU 94 HN GLU 94 110.437 8.286 22.074 651 HA GLU 94 HA GLU 94 113.160 9.217 22.919 652 HB2 GLU 94 HB2 GLU 94 113.356 7.216 24.222 653 HB3 GLU 94 HB1 GLU 94 111.789 7.927 24.577 654 HG2 GLU 94 HG2 GLU 94 111.028 5.804 24.212 655 HG3 GLU 94 HG1 GLU 94 111.096 6.272 22.522 656 H HIS 95 HN HIS 95 114.207 9.346 20.992 657 HA HIS 95 HA HIS 95 113.934 7.382 18.895 658 HB2 HIS 95 HB2 HIS 95 116.294 9.244 19.171 659 HB3 HIS 95 HB1 HIS 95 115.502 8.673 17.702 660 HD1 HIS 95 HD1 HIS 95 113.717 10.154 16.747 661 HD2 HIS 95 HD2 HIS 95 114.573 11.112 20.712 662 HE1 HIS 95 HE1 HIS 95 112.400 12.251 17.278 663 H ILE 96 HN ILE 96 114.667 5.348 19.156 664 HA ILE 96 HA ILE 96 116.813 4.696 20.997 665 HB ILE 96 HB ILE 96 116.644 2.478 19.339 666 HG12 ILE 96 HG12 ILE 96 114.893 3.894 18.034 667 HG13 ILE 96 HG11 ILE 96 114.485 2.230 18.433 668 HG21 ILE 96 HG21 ILE 96 114.751 1.761 20.988 669 HG22 ILE 96 HG22 ILE 96 115.048 3.321 21.753 670 HG23 ILE 96 HG23 ILE 96 116.343 2.133 21.644 671 HD11 ILE 96 HD11 ILE 96 112.851 2.844 19.924 672 HD12 ILE 96 HD12 ILE 96 112.824 4.300 18.938 673 HD13 ILE 96 HD13 ILE 96 113.709 4.289 20.456 674 HA PRO 97 HA PRO 97 120.457 5.491 18.679 675 HB2 PRO 97 HB2 PRO 97 121.369 2.687 18.667 676 HB3 PRO 97 HB1 PRO 97 122.081 4.085 19.488 677 HG2 PRO 97 HG2 PRO 97 120.560 1.979 20.700 678 HG3 PRO 97 HG1 PRO 97 121.139 3.456 21.483 679 HD2 PRO 97 HD2 PRO 97 118.410 2.783 20.836 680 HD3 PRO 97 HD1 PRO 97 119.006 4.289 21.561 681 H ASP 98 HN ASP 98 118.600 2.619 17.758 682 HA ASP 98 HA ASP 98 119.551 2.247 15.122 683 HB2 ASP 98 HB2 ASP 98 116.724 1.967 16.175 684 HB3 ASP 98 HB1 ASP 98 117.299 1.320 14.635 685 H SER 99 HN SER 99 116.607 4.087 15.980 686 HA SER 99 HA SER 99 116.541 5.290 13.395 687 HB2 SER 99 HB2 SER 99 115.089 5.708 15.969 688 HB3 SER 99 HB1 SER 99 114.920 6.926 14.708 689 HG SER 99 HG SER 99 114.732 4.545 13.571 690 HA PRO 100 HA PRO 100 116.215 6.987 12.166 691 HB2 PRO 100 HB2 PRO 100 117.616 8.758 10.554 692 HB3 PRO 100 HB1 PRO 100 116.260 9.220 11.594 693 HG2 PRO 100 HG2 PRO 100 119.128 9.838 11.928 694 HG3 PRO 100 HG1 PRO 100 117.731 10.583 12.719 695 HD2 PRO 100 HD2 PRO 100 119.546 8.609 13.827 696 HD3 PRO 100 HD1 PRO 100 118.147 9.366 14.619 697 H PHE 101 HN PHE 101 116.864 4.999 11.072 698 HA PHE 101 HA PHE 101 119.697 4.938 10.025 699 HB2 PHE 101 HB2 PHE 101 119.784 2.543 10.292 700 HB3 PHE 101 HB1 PHE 101 119.391 3.267 11.839 701 HD1 PHE 101 HD1 PHE 101 117.036 3.211 12.658 702 HD2 PHE 101 HD2 PHE 101 118.273 1.040 9.191 703 HE1 PHE 101 HE1 PHE 101 115.040 1.795 12.867 704 HE2 PHE 101 HE2 PHE 101 116.254 -0.389 9.381 705 HZ PHE 101 HZ PHE 101 114.631 -0.009 11.214 706 H VAL 102 HN VAL 102 119.982 3.742 8.021 707 HA VAL 102 HA VAL 102 117.685 4.207 6.229 708 HB VAL 102 HB VAL 102 119.841 5.086 5.536 709 HG11 VAL 102 HG11 VAL 102 121.285 3.518 6.747 710 HG12 VAL 102 HG12 VAL 102 121.713 3.531 5.037 711 HG13 VAL 102 HG13 VAL 102 120.765 2.200 5.698 712 HG21 VAL 102 HG21 VAL 102 119.867 4.227 3.308 713 HG22 VAL 102 HG22 VAL 102 118.203 4.044 3.861 714 HG23 VAL 102 HG23 VAL 102 119.281 2.649 3.833 715 H VAL 103 HN VAL 103 117.024 2.614 4.673 716 HA VAL 103 HA VAL 103 117.547 -0.232 5.454 717 HB VAL 103 HB VAL 103 114.923 1.104 4.743 718 HG11 VAL 103 HG11 VAL 103 115.723 -1.809 4.841 719 HG12 VAL 103 HG12 VAL 103 114.804 -0.966 3.594 720 HG13 VAL 103 HG13 VAL 103 114.059 -1.314 5.151 721 HG21 VAL 103 HG21 VAL 103 114.241 0.450 6.942 722 HG22 VAL 103 HG22 VAL 103 115.839 1.174 7.127 723 HG23 VAL 103 HG23 VAL 103 115.657 -0.580 7.144 724 HA PRO 104 HA PRO 104 118.560 0.609 1.012 725 HB2 PRO 104 HB2 PRO 104 120.428 -1.611 1.094 726 HB3 PRO 104 HB1 PRO 104 120.788 0.116 0.956 727 HG2 PRO 104 HG2 PRO 104 121.236 -1.554 3.245 728 HG3 PRO 104 HG1 PRO 104 121.466 0.197 3.143 729 HD2 PRO 104 HD2 PRO 104 119.331 -1.280 4.492 730 HD3 PRO 104 HD1 PRO 104 119.680 0.460 4.562 731 H VAL 105 HN VAL 105 116.920 -0.174 -0.236 732 HA VAL 105 HA VAL 105 116.171 -3.058 -0.067 733 HB VAL 105 HB VAL 105 114.884 -0.631 -1.355 734 HG11 VAL 105 HG11 VAL 105 113.017 -2.136 -1.974 735 HG12 VAL 105 HG12 VAL 105 113.946 -3.514 -1.399 736 HG13 VAL 105 HG13 VAL 105 114.497 -2.611 -2.801 737 HG21 VAL 105 HG21 VAL 105 113.239 -0.834 0.316 738 HG22 VAL 105 HG22 VAL 105 114.762 -1.082 1.168 739 HG23 VAL 105 HG23 VAL 105 113.752 -2.464 0.746 740 H ALA 106 HN ALA 106 116.564 -4.438 -1.869 741 HA ALA 106 HA ALA 106 118.050 -3.231 -4.197 742 HB1 ALA 106 HB1 ALA 106 118.781 -5.954 -3.190 743 HB2 ALA 106 HB2 ALA 106 119.315 -4.553 -2.264 744 HB3 ALA 106 HB3 ALA 106 119.790 -4.721 -3.950 745 H SER 107 HN SER 107 117.346 -3.868 -6.160 746 HA SER 107 HA SER 107 115.339 -6.065 -6.363 747 HB2 SER 107 HB2 SER 107 114.729 -3.827 -7.302 748 HB3 SER 107 HB1 SER 107 116.108 -3.931 -8.388 749 HG SER 107 HG SER 107 115.077 -5.367 -9.561 750 H LEU 108 HN LEU 108 116.755 -7.812 -6.392 751 HA LEU 108 HA LEU 108 118.226 -9.377 -7.341 752 HB2 LEU 108 HB2 LEU 108 117.956 -7.784 -9.908 753 HB3 LEU 108 HB1 LEU 108 118.365 -9.485 -9.737 754 HG LEU 108 HG LEU 108 115.712 -8.336 -8.827 755 HD11 LEU 108 HD11 LEU 108 115.717 -7.974 -11.174 756 HD12 LEU 108 HD12 LEU 108 114.876 -9.508 -10.954 757 HD13 LEU 108 HD13 LEU 108 116.557 -9.493 -11.487 758 HD21 LEU 108 HD21 LEU 108 115.074 -10.788 -9.084 759 HD22 LEU 108 HD22 LEU 108 116.199 -10.444 -7.772 760 HD23 LEU 108 HD23 LEU 108 116.791 -11.134 -9.282 761 H SER 109 HN SER 109 118.888 -6.274 -6.746 762 HA SER 109 HA SER 109 121.632 -6.214 -7.875 763 HB2 SER 109 HB2 SER 109 120.069 -4.192 -7.867 764 HB3 SER 109 HB1 SER 109 120.340 -4.129 -6.130 765 HG SER 109 HG SER 109 122.163 -3.798 -8.254 766 H ASP 110 HN ASP 110 119.903 -6.650 -4.857 767 HA ASP 110 HA ASP 110 120.689 -7.228 -2.718 768 HB2 ASP 110 HB2 ASP 110 121.812 -9.026 -4.204 769 HB3 ASP 110 HB1 ASP 110 123.273 -8.048 -4.066 770 H ASP 111 HN ASP 111 121.707 -4.777 -4.487 771 HA ASP 111 HA ASP 111 123.070 -3.455 -2.275 772 HB2 ASP 111 HB2 ASP 111 124.535 -3.751 -4.915 773 HB3 ASP 111 HB1 ASP 111 125.123 -2.954 -3.457 774 H ALA 112 HN ALA 112 121.943 -3.446 -5.661 775 HA ALA 112 HA ALA 112 121.252 -1.613 -7.010 776 HB1 ALA 112 HB1 ALA 112 119.252 -1.961 -5.751 777 HB2 ALA 112 HB2 ALA 112 119.519 -0.218 -5.782 778 HB3 ALA 112 HB3 ALA 112 119.920 -1.147 -4.336 779 H ARG 113 HN ARG 113 123.681 -0.878 -6.761 780 HA ARG 113 HA ARG 113 124.440 1.219 -5.040 781 HB2 ARG 113 HB2 ARG 113 125.350 0.179 -7.673 782 HB3 ARG 113 HB1 ARG 113 125.814 1.847 -7.345 783 HG2 ARG 113 HG2 ARG 113 126.832 1.169 -5.222 784 HG3 ARG 113 HG1 ARG 113 126.337 -0.500 -5.492 785 HD2 ARG 113 HD2 ARG 113 127.657 -0.234 -7.751 786 HD3 ARG 113 HD1 ARG 113 128.449 1.104 -6.924 787 HE ARG 113 HE ARG 113 129.036 -1.662 -6.568 788 HH11 ARG 113 HH21 ARG 113 128.451 1.176 -4.687 789 HH12 ARG 113 HH22 ARG 113 129.119 0.503 -3.241 790 HH21 ARG 113 HH11 ARG 113 129.922 -2.531 -4.700 791 HH22 ARG 113 HH12 ARG 113 129.957 -1.587 -3.249 792 H ARG 114 HN ARG 114 125.085 3.464 -6.374 793 HA ARG 114 HA ARG 114 122.525 4.541 -7.518 794 HB2 ARG 114 HB2 ARG 114 123.005 5.091 -5.031 795 HB3 ARG 114 HB1 ARG 114 124.319 6.095 -5.644 796 HG2 ARG 114 HG2 ARG 114 122.758 7.411 -6.973 797 HG3 ARG 114 HG1 ARG 114 121.426 6.350 -6.525 798 HD2 ARG 114 HD2 ARG 114 122.433 7.126 -4.047 799 HD3 ARG 114 HD1 ARG 114 122.624 8.587 -5.010 800 HE ARG 114 HE ARG 114 120.196 7.727 -3.899 801 HH11 ARG 114 HH21 ARG 114 121.411 8.474 -7.047 802 HH12 ARG 114 HH22 ARG 114 119.852 8.840 -7.697 803 HH21 ARG 114 HH11 ARG 114 118.169 8.214 -4.738 804 HH22 ARG 114 HH12 ARG 114 118.021 8.699 -6.394 805 H LEU 115 HN LEU 115 125.642 3.863 -8.089 806 HA LEU 115 HA LEU 115 126.052 6.201 -9.931 807 HB2 LEU 115 HB2 LEU 115 128.258 4.651 -8.547 808 HB3 LEU 115 HB1 LEU 115 128.422 6.124 -9.497 809 HG LEU 115 HG LEU 115 126.809 5.956 -6.933 810 HD11 LEU 115 HD11 LEU 115 129.208 5.507 -6.517 811 HD12 LEU 115 HD12 LEU 115 128.716 7.066 -5.856 812 HD13 LEU 115 HD13 LEU 115 129.624 6.996 -7.366 813 HD21 LEU 115 HD21 LEU 115 127.727 8.208 -8.738 814 HD22 LEU 115 HD22 LEU 115 127.210 8.488 -7.077 815 HD23 LEU 115 HD23 LEU 115 126.080 7.813 -8.248 816 H THR 116 HN THR 116 126.139 2.772 -9.418 817 HA THR 116 HA THR 116 127.062 2.313 -12.232 818 HB THR 116 HB THR 116 126.987 0.371 -9.903 819 HG1 THR 116 HG1 THR 116 129.371 0.599 -10.375 820 HG21 THR 116 HG21 THR 116 128.121 0.142 -12.704 821 HG22 THR 116 HG22 THR 116 126.714 -0.719 -12.079 822 HG23 THR 116 HG23 THR 116 128.317 -1.062 -11.430 823 H VAL 117 HN VAL 117 125.191 0.315 -10.003 824 HA VAL 117 HA VAL 117 123.246 -0.417 -11.989 825 HB VAL 117 HB VAL 117 123.206 -0.429 -8.957 826 HG11 VAL 117 HG11 VAL 117 120.903 -0.321 -9.555 827 HG12 VAL 117 HG12 VAL 117 121.227 -2.040 -9.332 828 HG13 VAL 117 HG13 VAL 117 121.138 -1.363 -10.958 829 HG21 VAL 117 HG21 VAL 117 124.779 -2.004 -9.934 830 HG22 VAL 117 HG22 VAL 117 123.555 -2.584 -11.064 831 HG23 VAL 117 HG23 VAL 117 123.387 -2.909 -9.339 832 H THR 118 HN THR 118 123.961 2.398 -10.401 833 HA THR 118 HA THR 118 122.805 4.340 -9.826 834 HB THR 118 HB THR 118 123.307 4.680 -12.141 835 HG1 THR 118 HG1 THR 118 122.071 6.326 -11.657 836 HG21 THR 118 HG21 THR 118 120.805 3.057 -12.671 837 HG22 THR 118 HG22 THR 118 122.453 2.690 -13.178 838 HG23 THR 118 HG23 THR 118 121.591 4.048 -13.895 839 H SER 119 HN SER 119 121.544 2.707 -8.342 840 HA SER 119 HA SER 119 119.518 2.496 -7.202 841 HB2 SER 119 HB2 SER 119 117.862 4.067 -7.584 842 HB3 SER 119 HB1 SER 119 119.172 4.838 -8.476 843 HG SER 119 HG SER 119 117.430 4.727 -9.838 844 H1 MET 1 HT1 MET 1 119.914 13.426 -15.814 845 H2 MET 1 HT2 MET 1 118.240 13.212 -16.013 846 H3 MET 1 HT3 MET 1 119.333 12.264 -16.905 847 HA MET 1 HA MET 1 118.617 12.090 -14.054 848 HB2 MET 1 HB2 MET 1 118.920 10.151 -16.361 849 HB3 MET 1 HB1 MET 1 118.653 9.635 -14.696 850 HG2 MET 1 HG2 MET 1 116.500 9.735 -15.800 851 HG3 MET 1 HG1 MET 1 116.589 11.072 -14.654 852 HE1 MET 1 HE1 MET 1 115.601 10.205 -18.274 853 HE2 MET 1 HE2 MET 1 117.316 9.844 -18.096 854 HE3 MET 1 HE3 MET 1 116.801 11.115 -19.202 855 H ALA 2 HN ALA 2 120.629 12.907 -13.197 856 HA ALA 2 HA ALA 2 122.678 10.874 -12.929 857 HB1 ALA 2 HB1 ALA 2 124.520 12.373 -13.851 858 HB2 ALA 2 HB2 ALA 2 123.245 13.337 -14.597 859 HB3 ALA 2 HB3 ALA 2 123.461 11.649 -15.061 860 H SER 3 HN SER 3 123.788 14.141 -12.894 861 HA SER 3 HA SER 3 124.182 14.062 -10.023 862 HB2 SER 3 HB2 SER 3 125.211 16.205 -10.280 863 HB3 SER 3 HB1 SER 3 125.629 15.298 -11.730 864 HG SER 3 HG SER 3 123.590 16.325 -12.574 865 H LYS 4 HN LYS 4 121.608 13.622 -10.015 866 HA LYS 4 HA LYS 4 120.448 15.961 -8.761 867 HB2 LYS 4 HB2 LYS 4 120.191 16.424 -11.256 868 HB3 LYS 4 HB1 LYS 4 119.096 15.042 -11.305 869 HG2 LYS 4 HG2 LYS 4 117.589 16.085 -9.738 870 HG3 LYS 4 HG1 LYS 4 118.734 17.389 -9.423 871 HD2 LYS 4 HD2 LYS 4 117.011 18.179 -10.963 872 HD3 LYS 4 HD1 LYS 4 118.558 18.087 -11.805 873 HE2 LYS 4 HE2 LYS 4 116.695 15.722 -11.875 874 HE3 LYS 4 HE1 LYS 4 116.408 17.093 -12.945 875 HZ1 LYS 4 HZ1 LYS 4 118.204 15.032 -13.322 876 HZ2 LYS 4 HZ2 LYS 4 119.149 16.394 -12.953 877 HZ3 LYS 4 HZ3 LYS 4 118.053 16.444 -14.250 878 HA PRO 5 HA PRO 5 118.925 11.664 -7.673 879 HB2 PRO 5 HB2 PRO 5 119.247 12.431 -4.881 880 HB3 PRO 5 HB1 PRO 5 120.098 11.161 -5.771 881 HG2 PRO 5 HG2 PRO 5 121.184 13.670 -4.902 882 HG3 PRO 5 HG1 PRO 5 121.985 12.455 -5.909 883 HD2 PRO 5 HD2 PRO 5 120.921 15.048 -6.716 884 HD3 PRO 5 HD1 PRO 5 121.851 13.893 -7.692 885 H GLU 6 HN GLU 6 118.244 14.923 -6.532 886 HA GLU 6 HA GLU 6 116.232 15.965 -5.937 887 HB2 GLU 6 HB2 GLU 6 115.660 14.971 -8.225 888 HB3 GLU 6 HB1 GLU 6 114.873 13.659 -7.349 889 HG2 GLU 6 HG2 GLU 6 113.354 15.204 -6.269 890 HG3 GLU 6 HG1 GLU 6 114.217 16.590 -6.937 891 H LYS 7 HN LYS 7 114.300 15.706 -4.535 892 HA LYS 7 HA LYS 7 114.818 14.016 -2.283 893 HB2 LYS 7 HB2 LYS 7 112.223 15.359 -3.106 894 HB3 LYS 7 HB1 LYS 7 112.589 14.730 -1.500 895 HG2 LYS 7 HG2 LYS 7 114.178 16.398 -1.057 896 HG3 LYS 7 HG1 LYS 7 114.431 16.754 -2.765 897 HD2 LYS 7 HD2 LYS 7 113.133 18.546 -1.662 898 HD3 LYS 7 HD1 LYS 7 112.178 17.740 -2.907 899 HE2 LYS 7 HE2 LYS 7 110.999 16.430 -1.259 900 HE3 LYS 7 HE1 LYS 7 112.069 16.991 0.026 901 HZ1 LYS 7 HZ1 LYS 7 110.754 19.079 -1.488 902 HZ2 LYS 7 HZ2 LYS 7 111.002 18.938 0.187 903 HZ3 LYS 7 HZ3 LYS 7 109.717 18.112 -0.558 904 H ARG 8 HN ARG 8 113.399 12.227 -1.505 905 HA ARG 8 HA ARG 8 112.483 10.529 -3.789 906 HB2 ARG 8 HB2 ARG 8 112.588 9.323 -1.072 907 HB3 ARG 8 HB1 ARG 8 113.244 8.720 -2.593 908 HG2 ARG 8 HG2 ARG 8 115.026 10.577 -2.341 909 HG3 ARG 8 HG1 ARG 8 114.473 10.693 -0.671 910 HD2 ARG 8 HD2 ARG 8 114.824 7.937 -1.055 911 HD3 ARG 8 HD1 ARG 8 116.175 8.647 -1.922 912 HE ARG 8 HE ARG 8 116.075 8.344 0.859 913 HH11 ARG 8 HH21 ARG 8 116.431 10.969 -1.367 914 HH12 ARG 8 HH22 ARG 8 117.297 11.961 -0.246 915 HH21 ARG 8 HH11 ARG 8 117.211 9.624 2.310 916 HH22 ARG 8 HH12 ARG 8 117.740 11.202 1.830 917 H VAL 9 HN VAL 9 110.442 9.252 -3.336 918 HA VAL 9 HA VAL 9 108.262 10.922 -2.730 919 HB VAL 9 HB VAL 9 108.587 7.928 -2.620 920 HG11 VAL 9 HG11 VAL 9 106.111 9.595 -2.125 921 HG12 VAL 9 HG12 VAL 9 106.783 8.333 -1.092 922 HG13 VAL 9 HG13 VAL 9 106.033 7.908 -2.631 923 HG21 VAL 9 HG21 VAL 9 107.137 9.787 -4.522 924 HG22 VAL 9 HG22 VAL 9 107.257 8.036 -4.690 925 HG23 VAL 9 HG23 VAL 9 108.704 9.036 -4.823 926 H ALA 10 HN ALA 10 106.893 10.997 -0.816 927 HA ALA 10 HA ALA 10 108.449 10.611 1.718 928 HB1 ALA 10 HB1 ALA 10 107.850 12.910 1.393 929 HB2 ALA 10 HB2 ALA 10 106.760 12.276 2.626 930 HB3 ALA 10 HB3 ALA 10 106.193 12.483 0.969 931 H SER 11 HN SER 11 107.251 9.910 3.619 932 HA SER 11 HA SER 11 104.587 8.751 3.284 933 HB2 SER 11 HB2 SER 11 106.097 7.005 2.305 934 HB3 SER 11 HB1 SER 11 106.934 6.912 3.851 935 HG SER 11 HG SER 11 104.943 5.491 3.235 936 H SER 12 HN SER 12 103.699 9.481 5.161 937 HA SER 12 HA SER 12 105.313 9.287 7.692 938 HB2 SER 12 HB2 SER 12 103.757 11.122 8.500 939 HB3 SER 12 HB1 SER 12 104.877 11.603 7.230 940 HG SER 12 HG SER 12 103.100 11.068 5.752 941 H VAL 13 HN VAL 13 104.530 7.841 9.130 942 HA VAL 13 HA VAL 13 101.676 7.503 9.571 943 HB VAL 13 HB VAL 13 101.888 6.101 7.590 944 HG11 VAL 13 HG11 VAL 13 103.897 4.377 9.030 945 HG12 VAL 13 HG12 VAL 13 104.430 5.740 8.048 946 HG13 VAL 13 HG13 VAL 13 103.519 4.429 7.310 947 HG21 VAL 13 HG21 VAL 13 101.874 4.199 9.930 948 HG22 VAL 13 HG22 VAL 13 100.904 4.139 8.459 949 HG23 VAL 13 HG23 VAL 13 100.565 5.356 9.688 950 H PHE 14 HN PHE 14 101.277 5.876 11.293 951 HA PHE 14 HA PHE 14 103.363 4.601 12.735 952 HB2 PHE 14 HB2 PHE 14 103.711 6.016 14.585 953 HB3 PHE 14 HB1 PHE 14 104.032 6.980 13.179 954 HD1 PHE 14 HD2 PHE 14 101.846 8.215 12.205 955 HD2 PHE 14 HD1 PHE 14 102.429 6.985 16.280 956 HE1 PHE 14 HE2 PHE 14 100.189 9.891 12.951 957 HE2 PHE 14 HE1 PHE 14 100.777 8.666 17.027 958 HZ PHE 14 HZ PHE 14 99.647 10.122 15.361 959 H ILE 15 HN ILE 15 102.597 4.460 15.258 960 HA ILE 15 HA ILE 15 99.648 4.171 15.391 961 HB ILE 15 HB ILE 15 100.064 1.882 16.434 962 HG12 ILE 15 HG12 ILE 15 102.679 2.463 16.405 963 HG13 ILE 15 HG11 ILE 15 102.109 0.807 16.261 964 HG21 ILE 15 HG21 ILE 15 100.501 2.387 13.490 965 HG22 ILE 15 HG22 ILE 15 98.985 2.012 14.308 966 HG23 ILE 15 HG23 ILE 15 100.236 0.777 14.158 967 HD11 ILE 15 HD11 ILE 15 102.520 2.454 13.773 968 HD12 ILE 15 HD12 ILE 15 102.565 0.706 13.969 969 HD13 ILE 15 HD13 ILE 15 103.896 1.695 14.567 970 H THR 16 HN THR 16 99.025 3.581 17.716 971 HA THR 16 HA THR 16 101.008 4.588 19.725 972 HB THR 16 HB THR 16 99.182 5.851 20.828 973 HG1 THR 16 HG1 THR 16 97.294 6.171 19.392 974 HG21 THR 16 HG21 THR 16 99.720 6.498 17.921 975 HG22 THR 16 HG22 THR 16 100.578 7.115 19.334 976 HG23 THR 16 HG23 THR 16 98.912 7.609 19.028 977 H LEU 17 HN LEU 17 100.565 3.765 21.912 978 HA LEU 17 HA LEU 17 98.455 1.758 22.230 979 HB2 LEU 17 HB2 LEU 17 100.076 -0.080 22.756 980 HB3 LEU 17 HB1 LEU 17 100.046 0.377 21.057 981 HG LEU 17 HG LEU 17 102.023 1.791 22.835 982 HD11 LEU 17 HD11 LEU 17 103.670 -0.074 22.389 983 HD12 LEU 17 HD12 LEU 17 102.301 -1.077 21.908 984 HD13 LEU 17 HD13 LEU 17 102.410 -0.467 23.559 985 HD21 LEU 17 HD21 LEU 17 103.434 1.502 20.753 986 HD22 LEU 17 HD22 LEU 17 101.973 2.449 20.506 987 HD23 LEU 17 HD23 LEU 17 102.035 0.770 19.973 988 H ALA 18 HN ALA 18 98.384 0.882 24.417 989 HA ALA 18 HA ALA 18 100.163 1.761 26.470 990 HB1 ALA 18 HB1 ALA 18 99.263 3.962 26.144 991 HB2 ALA 18 HB2 ALA 18 98.489 3.328 27.595 992 HB3 ALA 18 HB3 ALA 18 97.616 3.342 26.066 993 HA PRO 19 HA PRO 19 97.992 -1.565 28.429 994 HB2 PRO 19 HB2 PRO 19 98.084 -0.502 31.118 995 HB3 PRO 19 HB1 PRO 19 99.144 -1.726 30.404 996 HG2 PRO 19 HG2 PRO 19 99.751 1.076 30.977 997 HG3 PRO 19 HG1 PRO 19 100.854 -0.198 30.437 998 HD2 PRO 19 HD2 PRO 19 99.904 1.992 28.872 999 HD3 PRO 19 HD1 PRO 19 100.817 0.585 28.289 1000 HA PRO 20 HA PRO 20 93.777 -0.353 28.964 1001 HB2 PRO 20 HB2 PRO 20 93.120 -1.860 31.319 1002 HB3 PRO 20 HB1 PRO 20 92.882 -2.356 29.638 1003 HG2 PRO 20 HG2 PRO 20 94.907 -3.295 31.545 1004 HG3 PRO 20 HG1 PRO 20 94.484 -3.967 29.963 1005 HD2 PRO 20 HD2 PRO 20 96.845 -2.497 30.593 1006 HD3 PRO 20 HD1 PRO 20 96.281 -2.952 28.971 1007 H ARG 21 HN ARG 21 92.251 0.715 30.629 1008 HA ARG 21 HA ARG 21 93.786 2.668 32.178 1009 HB2 ARG 21 HB2 ARG 21 91.549 3.613 32.717 1010 HB3 ARG 21 HB1 ARG 21 91.776 3.396 30.982 1011 HG2 ARG 21 HG2 ARG 21 90.592 1.196 31.155 1012 HG3 ARG 21 HG1 ARG 21 90.250 1.554 32.842 1013 HD2 ARG 21 HD2 ARG 21 89.305 3.063 30.405 1014 HD3 ARG 21 HD1 ARG 21 88.307 2.221 31.582 1015 HE ARG 21 HE ARG 21 89.205 4.949 31.729 1016 HH11 ARG 21 HH21 ARG 21 88.858 2.144 33.716 1017 HH12 ARG 21 HH22 ARG 21 88.948 3.035 35.197 1018 HH21 ARG 21 HH11 ARG 21 89.304 6.109 33.644 1019 HH22 ARG 21 HH12 ARG 21 89.195 5.273 35.158 1020 H ARG 22 HN ARG 22 94.028 2.696 34.396 1021 HA ARG 22 HA ARG 22 93.209 0.251 35.854 1022 HB2 ARG 22 HB2 ARG 22 94.883 2.613 36.766 1023 HB3 ARG 22 HB1 ARG 22 94.696 1.082 37.621 1024 HG2 ARG 22 HG2 ARG 22 95.829 1.355 34.823 1025 HG3 ARG 22 HG1 ARG 22 96.814 1.220 36.277 1026 HD2 ARG 22 HD2 ARG 22 95.100 -0.944 36.548 1027 HD3 ARG 22 HD1 ARG 22 95.347 -0.891 34.805 1028 HE ARG 22 HE ARG 22 97.196 -1.937 36.642 1029 HH11 ARG 22 HH21 ARG 22 97.153 0.493 34.187 1030 HH12 ARG 22 HH22 ARG 22 98.862 0.447 33.936 1031 HH21 ARG 22 HH11 ARG 22 99.417 -2.011 36.310 1032 HH22 ARG 22 HH12 ARG 22 100.142 -0.971 35.130 1033 H ASP 23 HN ASP 23 91.869 0.310 37.707 1034 HA ASP 23 HA ASP 23 89.788 2.287 37.697 1035 HB2 ASP 23 HB2 ASP 23 90.551 0.308 39.866 1036 HB3 ASP 23 HB1 ASP 23 89.021 1.181 39.763 1037 H VAL 24 HN VAL 24 89.591 4.169 38.855 1038 HA VAL 24 HA VAL 24 91.948 5.297 40.093 1039 HB VAL 24 HB VAL 24 89.093 6.296 40.290 1040 HG11 VAL 24 HG11 VAL 24 91.800 7.651 40.479 1041 HG12 VAL 24 HG12 VAL 24 90.639 7.433 41.788 1042 HG13 VAL 24 HG13 VAL 24 90.258 8.505 40.441 1043 HG21 VAL 24 HG21 VAL 24 89.600 5.931 37.946 1044 HG22 VAL 24 HG22 VAL 24 91.185 6.685 38.129 1045 HG23 VAL 24 HG23 VAL 24 89.722 7.660 38.269 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 119.706 13.748 45.161 2 H2 GLY 1 HT2 GLY 1 118.429 13.636 44.046 3 H3 GLY 1 HT3 GLY 1 120.009 13.938 43.501 4 HA2 GLY 1 HA2 GLY 1 118.713 11.391 44.463 5 HA3 GLY 1 HA1 GLY 1 119.909 11.687 43.170 6 H ILE 2 HN ILE 2 120.279 9.568 44.781 7 HA ILE 2 HA ILE 2 123.159 9.873 44.377 8 HB ILE 2 HB ILE 2 122.227 8.966 47.116 9 HG12 ILE 2 HG12 ILE 2 123.019 11.788 46.319 10 HG13 ILE 2 HG11 ILE 2 121.437 11.279 46.915 11 HG21 ILE 2 HG21 ILE 2 124.514 9.268 47.718 12 HG22 ILE 2 HG22 ILE 2 124.852 10.196 46.257 13 HG23 ILE 2 HG23 ILE 2 124.540 8.464 46.149 14 HD11 ILE 2 HD11 ILE 2 122.639 10.441 48.999 15 HD12 ILE 2 HD12 ILE 2 122.585 12.193 48.799 16 HD13 ILE 2 HD13 ILE 2 124.061 11.306 48.413 17 HA PRO 3 HA PRO 3 120.734 5.709 43.996 18 HB2 PRO 3 HB2 PRO 3 121.401 5.622 41.201 19 HB3 PRO 3 HB1 PRO 3 119.791 5.809 41.910 20 HG2 PRO 3 HG2 PRO 3 121.490 7.856 40.641 21 HG3 PRO 3 HG1 PRO 3 119.764 7.932 41.033 22 HD2 PRO 3 HD2 PRO 3 121.792 9.324 42.401 23 HD3 PRO 3 HD1 PRO 3 120.152 9.009 43.013 24 H GLU 4 HN GLU 4 123.238 6.285 41.583 25 HA GLU 4 HA GLU 4 125.428 5.353 41.427 26 HB2 GLU 4 HB2 GLU 4 125.324 5.930 44.085 27 HB3 GLU 4 HB1 GLU 4 125.283 4.172 44.202 28 HG2 GLU 4 HG2 GLU 4 127.595 4.827 44.284 29 HG3 GLU 4 HG1 GLU 4 127.318 4.127 42.688 30 H PHE 5 HN PHE 5 123.112 3.626 43.397 31 HA PHE 5 HA PHE 5 123.486 0.947 42.701 32 HB2 PHE 5 HB2 PHE 5 121.217 2.775 43.533 33 HB3 PHE 5 HB1 PHE 5 120.777 1.161 42.913 34 HD1 PHE 5 HD2 PHE 5 121.811 -0.899 43.998 35 HD2 PHE 5 HD1 PHE 5 122.102 3.026 45.718 36 HE1 PHE 5 HE2 PHE 5 122.395 -1.903 46.189 37 HE2 PHE 5 HE1 PHE 5 122.686 2.023 47.909 38 HZ PHE 5 HZ PHE 5 122.832 -0.442 48.144 39 H PHE 6 HN PHE 6 122.254 3.682 41.032 40 HA PHE 6 HA PHE 6 122.340 3.933 38.658 41 HB2 PHE 6 HB2 PHE 6 122.023 2.250 37.108 42 HB3 PHE 6 HB1 PHE 6 122.884 1.429 38.387 43 HD1 PHE 6 HD1 PHE 6 120.060 1.392 40.158 44 HD2 PHE 6 HD2 PHE 6 121.295 0.093 36.240 45 HE1 PHE 6 HE1 PHE 6 118.266 -0.292 40.146 46 HE2 PHE 6 HE2 PHE 6 119.486 -1.595 36.247 47 HZ PHE 6 HZ PHE 6 117.973 -1.789 38.197 48 H GLN 7 HN GLN 7 120.116 2.749 37.159 49 HA GLN 7 HA GLN 7 117.773 3.029 36.904 50 HB2 GLN 7 HB2 GLN 7 117.803 2.865 39.594 51 HB3 GLN 7 HB1 GLN 7 117.512 4.598 39.467 52 HG2 GLN 7 HG2 GLN 7 115.608 4.046 37.872 53 HG3 GLN 7 HG1 GLN 7 115.819 2.357 38.338 54 HE21 GLN 7 HE21 GLN 7 115.116 5.598 39.716 55 HE22 GLN 7 HE22 GLN 7 114.278 5.009 41.070 56 H PHE 8 HN PHE 8 120.283 5.016 37.336 57 HA PHE 8 HA PHE 8 119.102 7.127 35.695 58 HB2 PHE 8 HB2 PHE 8 118.632 8.050 37.902 59 HB3 PHE 8 HB1 PHE 8 120.280 7.703 38.428 60 HD1 PHE 8 HD1 PHE 8 118.251 9.736 36.058 61 HD2 PHE 8 HD2 PHE 8 122.076 9.194 37.936 62 HE1 PHE 8 HE1 PHE 8 118.995 11.932 35.177 63 HE2 PHE 8 HE2 PHE 8 122.820 11.390 37.055 64 HZ PHE 8 HZ PHE 8 121.278 12.759 35.676 65 H THR 9 HN THR 9 121.826 5.845 37.446 66 HA THR 9 HA THR 9 123.754 7.040 35.540 67 HB THR 9 HB THR 9 124.258 5.079 37.805 68 HG1 THR 9 HG1 THR 9 124.211 6.709 39.131 69 HG21 THR 9 HG21 THR 9 126.158 5.140 36.393 70 HG22 THR 9 HG22 THR 9 126.539 6.273 37.688 71 HG23 THR 9 HG23 THR 9 126.005 6.876 36.120 72 H VAL 10 HN VAL 10 121.593 4.649 35.539 73 HA VAL 10 HA VAL 10 122.683 2.220 34.879 74 HB VAL 10 HB VAL 10 120.266 2.667 34.839 75 HG11 VAL 10 HG11 VAL 10 120.589 4.897 33.626 76 HG12 VAL 10 HG12 VAL 10 119.219 3.917 33.105 77 HG13 VAL 10 HG13 VAL 10 120.693 3.955 32.140 78 HG21 VAL 10 HG21 VAL 10 121.236 0.704 33.602 79 HG22 VAL 10 HG22 VAL 10 121.221 1.680 32.134 80 HG23 VAL 10 HG23 VAL 10 119.705 1.269 32.934 81 H GLY 11 HN GLY 11 122.477 5.061 32.794 82 HA2 GLY 11 HA2 GLY 11 124.736 5.165 31.427 83 HA3 GLY 11 HA1 GLY 11 124.085 3.715 30.677 84 HA PRO 12 HA PRO 12 121.803 6.369 27.928 85 HB2 PRO 12 HB2 PRO 12 119.486 4.811 27.572 86 HB3 PRO 12 HB1 PRO 12 120.997 4.606 26.674 87 HG2 PRO 12 HG2 PRO 12 119.907 2.960 28.900 88 HG3 PRO 12 HG1 PRO 12 121.042 2.501 27.621 89 HD2 PRO 12 HD2 PRO 12 121.748 3.015 30.290 90 HD3 PRO 12 HD1 PRO 12 122.869 3.015 28.912 91 H LEU 13 HN LEU 13 121.507 6.740 30.826 92 HA LEU 13 HA LEU 13 120.031 7.543 32.473 93 HB2 LEU 13 HB2 LEU 13 118.502 9.446 31.048 94 HB3 LEU 13 HB1 LEU 13 120.030 9.737 31.861 95 HG LEU 13 HG LEU 13 119.730 8.881 28.966 96 HD11 LEU 13 HD11 LEU 13 120.252 11.549 30.280 97 HD12 LEU 13 HD12 LEU 13 118.928 11.116 29.199 98 HD13 LEU 13 HD13 LEU 13 120.573 11.237 28.574 99 HD21 LEU 13 HD21 LEU 13 121.943 8.381 29.075 100 HD22 LEU 13 HD22 LEU 13 122.012 8.834 30.772 101 HD23 LEU 13 HD23 LEU 13 122.292 10.045 29.524 102 H GLY 14 HN GLY 14 119.096 5.198 31.031 103 HA2 GLY 14 HA2 GLY 14 117.147 3.877 31.107 104 HA3 GLY 14 HA1 GLY 14 116.332 5.212 31.927 105 H GLU 15 HN GLU 15 116.774 7.232 30.038 106 HA GLU 15 HA GLU 15 115.646 8.126 28.181 107 HB2 GLU 15 HB2 GLU 15 117.447 6.559 27.187 108 HB3 GLU 15 HB1 GLU 15 116.122 5.433 26.897 109 HG2 GLU 15 HG2 GLU 15 114.968 7.076 25.515 110 HG3 GLU 15 HG1 GLU 15 116.170 8.303 25.911 111 H GLY 16 HN GLY 16 114.346 5.985 30.131 112 HA2 GLY 16 HA2 GLY 16 112.102 5.443 30.515 113 HA3 GLY 16 HA1 GLY 16 111.681 6.210 28.981 114 H GLY 17 HN GLY 17 110.263 4.226 28.807 115 HA2 GLY 17 HA2 GLY 17 111.005 1.591 28.693 116 HA3 GLY 17 HA1 GLY 17 109.845 2.272 27.561 117 H ALA 18 HN ALA 18 112.206 4.087 26.569 118 HA ALA 18 HA ALA 18 112.882 2.686 24.251 119 HB1 ALA 18 HB1 ALA 18 113.670 4.853 24.087 120 HB2 ALA 18 HB2 ALA 18 115.178 4.112 24.614 121 HB3 ALA 18 HB3 ALA 18 114.130 4.909 25.786 122 H HIS 19 HN HIS 19 113.805 1.918 27.429 123 HA HIS 19 HA HIS 19 116.221 0.430 26.587 124 HB2 HIS 19 HB2 HIS 19 116.385 1.636 28.685 125 HB3 HIS 19 HB1 HIS 19 114.919 0.865 29.289 126 HD1 HIS 19 HD1 HIS 19 115.141 -1.934 29.265 127 HD2 HIS 19 HD2 HIS 19 118.654 0.299 29.496 128 HE1 HIS 19 HE1 HIS 19 116.927 -3.498 30.151 129 H LYS 20 HN LYS 20 113.101 -0.305 28.242 130 HA LYS 20 HA LYS 20 113.498 -3.159 28.027 131 HB2 LYS 20 HB2 LYS 20 111.139 -3.344 28.710 132 HB3 LYS 20 HB1 LYS 20 111.992 -2.181 29.718 133 HG2 LYS 20 HG2 LYS 20 110.213 -0.805 29.238 134 HG3 LYS 20 HG1 LYS 20 111.069 -0.527 27.735 135 HD2 LYS 20 HD2 LYS 20 109.779 -2.339 26.649 136 HD3 LYS 20 HD1 LYS 20 108.922 -2.626 28.158 137 HE2 LYS 20 HE2 LYS 20 107.640 -0.717 27.946 138 HE3 LYS 20 HE1 LYS 20 108.905 0.174 27.098 139 HZ1 LYS 20 HZ1 LYS 20 106.978 -1.774 26.036 140 HZ2 LYS 20 HZ2 LYS 20 108.471 -1.560 25.255 141 HZ3 LYS 20 HZ3 LYS 20 107.407 -0.248 25.434 142 H VAL 21 HN VAL 21 112.285 -0.735 25.858 143 HA VAL 21 HA VAL 21 110.697 -2.418 24.173 144 HB VAL 21 HB VAL 21 112.273 0.101 23.562 145 HG11 VAL 21 HG11 VAL 21 111.975 -1.000 21.461 146 HG12 VAL 21 HG12 VAL 21 110.680 0.193 21.563 147 HG13 VAL 21 HG13 VAL 21 110.339 -1.508 21.880 148 HG21 VAL 21 HG21 VAL 21 110.203 1.241 23.861 149 HG22 VAL 21 HG22 VAL 21 110.295 0.111 25.211 150 HG23 VAL 21 HG23 VAL 21 109.280 -0.261 23.818 151 H ARG 22 HN ARG 22 111.443 -4.217 23.246 152 HA ARG 22 HA ARG 22 114.283 -4.396 22.373 153 HB2 ARG 22 HB2 ARG 22 113.452 -6.241 23.736 154 HB3 ARG 22 HB1 ARG 22 112.082 -6.462 22.650 155 HG2 ARG 22 HG2 ARG 22 113.889 -8.125 22.237 156 HG3 ARG 22 HG1 ARG 22 113.599 -7.113 20.826 157 HD2 ARG 22 HD2 ARG 22 115.584 -5.897 21.132 158 HD3 ARG 22 HD1 ARG 22 115.699 -6.325 22.841 159 HE ARG 22 HE ARG 22 115.933 -8.757 21.548 160 HH11 ARG 22 HH21 ARG 22 117.447 -5.667 21.330 161 HH12 ARG 22 HH22 ARG 22 118.979 -6.305 20.835 162 HH21 ARG 22 HH11 ARG 22 117.924 -9.608 20.905 163 HH22 ARG 22 HH12 ARG 22 119.250 -8.538 20.596 164 H ALA 23 HN ALA 23 114.816 -4.534 20.208 165 HA ALA 23 HA ALA 23 112.627 -4.852 18.209 166 HB1 ALA 23 HB1 ALA 23 114.672 -2.623 18.023 167 HB2 ALA 23 HB2 ALA 23 113.047 -2.385 18.667 168 HB3 ALA 23 HB3 ALA 23 113.266 -2.884 16.990 169 H GLY 24 HN GLY 24 113.318 -6.557 17.045 170 HA2 GLY 24 HA2 GLY 24 115.997 -6.477 15.812 171 HA3 GLY 24 HA1 GLY 24 115.701 -7.838 16.896 172 H GLY 25 HN GLY 25 115.830 -7.275 13.753 173 HA2 GLY 25 HA2 GLY 25 114.264 -9.546 13.008 174 HA3 GLY 25 HA1 GLY 25 113.348 -8.083 12.644 175 H THR 26 HN THR 26 114.032 -9.611 10.510 176 HA THR 26 HA THR 26 116.600 -8.811 9.374 177 HB THR 26 HB THR 26 115.546 -9.827 7.259 178 HG1 THR 26 HG1 THR 26 113.642 -10.913 7.566 179 HG21 THR 26 HG21 THR 26 115.698 -11.501 9.781 180 HG22 THR 26 HG22 THR 26 117.063 -11.073 8.748 181 HG23 THR 26 HG23 THR 26 115.785 -12.121 8.133 182 H GLY 27 HN GLY 27 113.298 -7.648 9.286 183 HA2 GLY 27 HA2 GLY 27 113.584 -5.945 6.979 184 HA3 GLY 27 HA1 GLY 27 112.356 -5.772 8.236 185 H LEU 28 HN LEU 28 114.759 -5.825 10.180 186 HA LEU 28 HA LEU 28 115.110 -2.899 10.236 187 HB2 LEU 28 HB2 LEU 28 115.899 -5.166 12.077 188 HB3 LEU 28 HB1 LEU 28 116.460 -3.522 12.344 189 HG LEU 28 HG LEU 28 113.531 -4.221 12.032 190 HD11 LEU 28 HD11 LEU 28 114.243 -5.448 13.955 191 HD12 LEU 28 HD12 LEU 28 113.500 -3.971 14.570 192 HD13 LEU 28 HD13 LEU 28 115.256 -4.116 14.514 193 HD21 LEU 28 HD21 LEU 28 113.694 -1.903 11.758 194 HD22 LEU 28 HD22 LEU 28 115.083 -1.761 12.833 195 HD23 LEU 28 HD23 LEU 28 113.473 -2.016 13.500 196 H GLU 29 HN GLU 29 116.353 -4.763 8.169 197 HA GLU 29 HA GLU 29 119.165 -3.777 8.472 198 HB2 GLU 29 HB2 GLU 29 118.519 -6.453 7.229 199 HB3 GLU 29 HB1 GLU 29 120.068 -5.862 7.834 200 HG2 GLU 29 HG2 GLU 29 118.966 -5.780 10.145 201 HG3 GLU 29 HG1 GLU 29 117.650 -6.715 9.435 202 H ARG 30 HN ARG 30 116.815 -5.214 6.158 203 HA ARG 30 HA ARG 30 117.292 -3.024 4.293 204 HB2 ARG 30 HB2 ARG 30 118.024 -4.825 2.472 205 HB3 ARG 30 HB1 ARG 30 119.222 -4.070 3.522 206 HG2 ARG 30 HG2 ARG 30 119.176 -5.968 5.037 207 HG3 ARG 30 HG1 ARG 30 117.859 -6.709 4.127 208 HD2 ARG 30 HD2 ARG 30 119.249 -7.161 2.265 209 HD3 ARG 30 HD1 ARG 30 120.490 -6.031 2.807 210 HE ARG 30 HE ARG 30 120.377 -7.917 4.836 211 HH11 ARG 30 HH21 ARG 30 120.766 -7.939 1.409 212 HH12 ARG 30 HH22 ARG 30 121.748 -9.366 1.397 213 HH21 ARG 30 HH11 ARG 30 121.656 -9.779 4.838 214 HH22 ARG 30 HH12 ARG 30 122.251 -10.408 3.338 215 H GLY 31 HN GLY 31 116.253 -3.868 2.003 216 HA2 GLY 31 HA2 GLY 31 113.970 -5.665 2.408 217 HA3 GLY 31 HA1 GLY 31 113.545 -3.964 2.200 218 H VAL 32 HN VAL 32 112.517 -5.321 0.211 219 HA VAL 32 HA VAL 32 114.397 -4.874 -2.070 220 HB VAL 32 HB VAL 32 112.726 -7.319 -1.503 221 HG11 VAL 32 HG11 VAL 32 113.450 -8.070 -3.822 222 HG12 VAL 32 HG12 VAL 32 113.900 -6.397 -4.139 223 HG13 VAL 32 HG13 VAL 32 112.222 -6.807 -3.807 224 HG21 VAL 32 HG21 VAL 32 115.591 -7.142 -2.435 225 HG22 VAL 32 HG22 VAL 32 114.778 -8.496 -1.656 226 HG23 VAL 32 HG23 VAL 32 115.161 -7.049 -0.728 227 H ALA 33 HN ALA 33 113.424 -4.296 -4.038 228 HA ALA 33 HA ALA 33 111.369 -2.449 -4.024 229 HB1 ALA 33 HB1 ALA 33 113.006 -3.491 -5.945 230 HB2 ALA 33 HB2 ALA 33 111.679 -2.389 -6.300 231 HB3 ALA 33 HB3 ALA 33 111.457 -4.129 -6.482 232 H GLY 34 HN GLY 34 109.342 -2.618 -3.391 233 HA2 GLY 34 HA2 GLY 34 107.153 -3.363 -3.149 234 HA3 GLY 34 HA1 GLY 34 107.388 -4.150 -4.702 235 H VAL 35 HN VAL 35 108.907 -4.798 -1.526 236 HA VAL 35 HA VAL 35 107.732 -7.541 -1.656 237 HB VAL 35 HB VAL 35 110.546 -6.691 -1.018 238 HG11 VAL 35 HG11 VAL 35 110.848 -9.170 -0.398 239 HG12 VAL 35 HG12 VAL 35 109.094 -9.223 -0.218 240 HG13 VAL 35 HG13 VAL 35 110.054 -8.152 0.803 241 HG21 VAL 35 HG21 VAL 35 111.062 -8.476 -2.662 242 HG22 VAL 35 HG22 VAL 35 109.986 -7.260 -3.355 243 HG23 VAL 35 HG23 VAL 35 109.339 -8.811 -2.825 244 HA PRO 36 HA PRO 36 106.261 -5.985 2.341 245 HB2 PRO 36 HB2 PRO 36 105.354 -8.621 3.130 246 HB3 PRO 36 HB1 PRO 36 104.371 -7.248 2.601 247 HG2 PRO 36 HG2 PRO 36 104.959 -9.666 1.124 248 HG3 PRO 36 HG1 PRO 36 103.966 -8.296 0.607 249 HD2 PRO 36 HD2 PRO 36 106.602 -9.016 -0.334 250 HD3 PRO 36 HD1 PRO 36 105.606 -7.633 -0.840 251 H ALA 37 HN ALA 37 107.926 -5.618 3.743 252 HA ALA 37 HA ALA 37 109.561 -7.957 4.698 253 HB1 ALA 37 HB1 ALA 37 111.282 -6.236 5.255 254 HB2 ALA 37 HB2 ALA 37 110.244 -5.002 4.541 255 HB3 ALA 37 HB3 ALA 37 110.915 -6.283 3.531 256 H GLU 38 HN GLU 38 110.071 -7.934 7.033 257 HA GLU 38 HA GLU 38 108.659 -5.979 8.693 258 HB2 GLU 38 HB2 GLU 38 107.063 -7.411 9.692 259 HB3 GLU 38 HB1 GLU 38 106.942 -7.771 7.970 260 HG2 GLU 38 HG2 GLU 38 108.675 -9.642 8.452 261 HG3 GLU 38 HG1 GLU 38 108.259 -9.395 10.152 262 H PHE 39 HN PHE 39 108.942 -6.360 10.978 263 HA PHE 39 HA PHE 39 111.191 -8.160 11.709 264 HB2 PHE 39 HB2 PHE 39 112.034 -6.150 13.156 265 HB3 PHE 39 HB1 PHE 39 112.455 -6.197 11.446 266 HD1 PHE 39 HD2 PHE 39 110.817 -5.003 9.813 267 HD2 PHE 39 HD1 PHE 39 110.959 -4.241 14.029 268 HE1 PHE 39 HE2 PHE 39 109.713 -2.815 9.450 269 HE2 PHE 39 HE1 PHE 39 109.859 -2.047 13.664 270 HZ PHE 39 HZ PHE 39 109.233 -1.336 11.378 271 H SER 40 HN SER 40 111.386 -7.591 14.333 272 HA SER 40 HA SER 40 108.567 -7.824 15.354 273 HB2 SER 40 HB2 SER 40 111.039 -9.205 16.435 274 HB3 SER 40 HB1 SER 40 109.387 -9.408 17.011 275 HG SER 40 HG SER 40 109.686 -9.771 14.308 276 H ILE 41 HN ILE 41 108.131 -6.870 17.365 277 HA ILE 41 HA ILE 41 110.275 -5.348 18.727 278 HB ILE 41 HB ILE 41 107.805 -4.125 17.468 279 HG12 ILE 41 HG12 ILE 41 110.682 -3.167 17.594 280 HG13 ILE 41 HG11 ILE 41 110.047 -4.162 16.285 281 HG21 ILE 41 HG21 ILE 41 109.406 -3.162 19.851 282 HG22 ILE 41 HG22 ILE 41 107.656 -3.320 19.709 283 HG23 ILE 41 HG23 ILE 41 108.499 -2.046 18.831 284 HD11 ILE 41 HD11 ILE 41 108.572 -2.474 15.555 285 HD12 ILE 41 HD12 ILE 41 110.053 -1.600 15.941 286 HD13 ILE 41 HD13 ILE 41 108.699 -1.578 17.066 287 H TRP 42 HN TRP 42 110.071 -6.483 20.619 288 HA TRP 42 HA TRP 42 107.380 -7.083 21.696 289 HB2 TRP 42 HB2 TRP 42 108.711 -8.926 22.112 290 HB3 TRP 42 HB1 TRP 42 110.181 -7.968 22.189 291 HD1 TRP 42 HD1 TRP 42 110.490 -6.492 24.524 292 HE1 TRP 42 HE1 TRP 42 109.858 -7.146 26.937 293 HE3 TRP 42 HE3 TRP 42 107.143 -10.231 23.577 294 HZ2 TRP 42 HZ2 TRP 42 108.157 -9.009 28.286 295 HZ3 TRP 42 HZ3 TRP 42 106.033 -11.428 25.442 296 HH2 TRP 42 HH2 TRP 42 106.535 -10.822 27.793 297 H THR 43 HN THR 43 106.503 -6.052 23.472 298 HA THR 43 HA THR 43 108.118 -4.155 25.055 299 HB THR 43 HB THR 43 107.527 -2.510 23.519 300 HG1 THR 43 HG1 THR 43 105.283 -1.771 24.293 301 HG21 THR 43 HG21 THR 43 106.373 -3.921 21.938 302 HG22 THR 43 HG22 THR 43 105.322 -2.551 22.298 303 HG23 THR 43 HG23 THR 43 105.008 -4.121 23.038 304 H ARG 44 HN ARG 44 107.503 -4.562 27.124 305 HA ARG 44 HA ARG 44 104.730 -4.532 27.928 306 HB2 ARG 44 HB2 ARG 44 104.982 -6.829 26.854 307 HB3 ARG 44 HB1 ARG 44 106.097 -7.223 28.163 308 HG2 ARG 44 HG2 ARG 44 104.377 -6.838 29.822 309 HG3 ARG 44 HG1 ARG 44 103.268 -6.232 28.600 310 HD2 ARG 44 HD2 ARG 44 102.995 -8.357 27.616 311 HD3 ARG 44 HD1 ARG 44 104.425 -9.019 28.394 312 HE ARG 44 HE ARG 44 101.722 -9.004 29.419 313 HH11 ARG 44 HH21 ARG 44 104.990 -8.532 30.439 314 HH12 ARG 44 HH22 ARG 44 104.627 -8.781 32.115 315 HH21 ARG 44 HH11 ARG 44 101.251 -9.335 31.583 316 HH22 ARG 44 HH12 ARG 44 102.519 -9.235 32.760 317 H GLU 45 HN GLU 45 106.437 -2.934 29.040 318 HA GLU 45 HA GLU 45 106.799 -3.990 31.752 319 HB2 GLU 45 HB2 GLU 45 108.920 -4.547 30.335 320 HB3 GLU 45 HB1 GLU 45 109.260 -2.821 30.447 321 HG2 GLU 45 HG2 GLU 45 109.203 -2.936 32.892 322 HG3 GLU 45 HG1 GLU 45 108.779 -4.647 32.820 323 H ALA 46 HN ALA 46 107.861 -1.250 29.670 324 HA ALA 46 HA ALA 46 107.757 0.706 31.719 325 HB1 ALA 46 HB1 ALA 46 108.667 0.934 29.304 326 HB2 ALA 46 HB2 ALA 46 107.875 2.337 30.014 327 HB3 ALA 46 HB3 ALA 46 107.006 1.326 28.861 328 H GLY 47 HN GLY 47 105.300 0.014 29.219 329 HA2 GLY 47 HA2 GLY 47 102.986 -0.328 30.441 330 HA3 GLY 47 HA1 GLY 47 103.252 1.351 30.918 331 H ALA 48 HN ALA 48 101.054 1.212 29.534 332 HA ALA 48 HA ALA 48 101.131 1.027 26.710 333 HB1 ALA 48 HB1 ALA 48 99.456 3.017 28.264 334 HB2 ALA 48 HB2 ALA 48 99.072 1.298 28.180 335 HB3 ALA 48 HB3 ALA 48 99.075 2.274 26.711 336 H GLY 49 HN GLY 49 101.163 2.805 25.117 337 HA2 GLY 49 HA2 GLY 49 102.034 5.452 25.769 338 HA3 GLY 49 HA1 GLY 49 103.439 4.473 25.344 339 H GLY 50 HN GLY 50 103.063 6.482 23.660 340 HA2 GLY 50 HA2 GLY 50 101.489 5.437 21.331 341 HA3 GLY 50 HA1 GLY 50 101.960 7.121 21.559 342 H LEU 51 HN LEU 51 102.658 4.508 19.733 343 HA LEU 51 HA LEU 51 105.604 5.000 19.615 344 HB2 LEU 51 HB2 LEU 51 104.694 2.637 19.728 345 HB3 LEU 51 HB1 LEU 51 103.947 2.919 18.159 346 HG LEU 51 HG LEU 51 106.364 3.611 17.401 347 HD11 LEU 51 HD11 LEU 51 108.099 2.254 18.642 348 HD12 LEU 51 HD12 LEU 51 106.910 2.011 19.919 349 HD13 LEU 51 HD13 LEU 51 107.479 3.636 19.540 350 HD21 LEU 51 HD21 LEU 51 106.892 1.208 16.928 351 HD22 LEU 51 HD22 LEU 51 105.228 1.641 16.534 352 HD23 LEU 51 HD23 LEU 51 105.579 0.746 18.012 353 H SER 52 HN SER 52 105.829 6.884 18.424 354 HA SER 52 HA SER 52 104.226 7.333 16.005 355 HB2 SER 52 HB2 SER 52 106.591 8.967 16.910 356 HB3 SER 52 HB1 SER 52 105.218 9.482 15.935 357 HG SER 52 HG SER 52 104.679 8.433 18.457 358 H ILE 53 HN ILE 53 105.084 7.197 13.840 359 HA ILE 53 HA ILE 53 107.911 6.230 13.633 360 HB ILE 53 HB ILE 53 105.539 5.059 12.154 361 HG12 ILE 53 HG12 ILE 53 107.298 3.797 14.281 362 HG13 ILE 53 HG11 ILE 53 105.691 4.451 14.597 363 HG21 ILE 53 HG21 ILE 53 107.559 5.016 10.809 364 HG22 ILE 53 HG22 ILE 53 107.261 3.389 11.417 365 HG23 ILE 53 HG23 ILE 53 108.496 4.398 12.167 366 HD11 ILE 53 HD11 ILE 53 106.408 2.144 12.773 367 HD12 ILE 53 HD12 ILE 53 104.817 2.904 12.789 368 HD13 ILE 53 HD13 ILE 53 105.419 2.091 14.233 369 H ALA 54 HN ALA 54 108.822 7.939 12.565 370 HA ALA 54 HA ALA 54 107.332 9.250 10.352 371 HB1 ALA 54 HB1 ALA 54 108.582 10.572 12.153 372 HB2 ALA 54 HB2 ALA 54 108.974 10.988 10.484 373 HB3 ALA 54 HB3 ALA 54 110.072 9.974 11.422 374 H VAL 55 HN VAL 55 107.531 8.042 8.518 375 HA VAL 55 HA VAL 55 110.134 6.747 7.892 376 HB VAL 55 HB VAL 55 108.538 5.976 5.838 377 HG11 VAL 55 HG11 VAL 55 108.359 4.793 8.627 378 HG12 VAL 55 HG12 VAL 55 109.674 4.495 7.491 379 HG13 VAL 55 HG13 VAL 55 108.042 3.952 7.111 380 HG21 VAL 55 HG21 VAL 55 106.703 7.471 6.865 381 HG22 VAL 55 HG22 VAL 55 106.576 6.244 8.125 382 HG23 VAL 55 HG23 VAL 55 106.249 5.821 6.445 383 H GLU 56 HN GLU 56 111.296 7.221 6.047 384 HA GLU 56 HA GLU 56 110.323 9.371 4.244 385 HB2 GLU 56 HB2 GLU 56 111.579 10.731 5.702 386 HB3 GLU 56 HB1 GLU 56 112.789 9.486 5.982 387 HG2 GLU 56 HG2 GLU 56 113.790 9.828 3.858 388 HG3 GLU 56 HG1 GLU 56 112.394 10.694 3.248 389 H GLY 57 HN GLY 57 111.186 9.127 2.121 390 HA2 GLY 57 HA2 GLY 57 113.385 7.720 1.252 391 HA3 GLY 57 HA1 GLY 57 112.195 6.457 1.549 392 HA PRO 58 HA PRO 58 111.657 8.170 -2.762 393 HB2 PRO 58 HB2 PRO 58 111.436 5.419 -3.692 394 HB3 PRO 58 HB1 PRO 58 112.673 6.627 -4.060 395 HG2 PRO 58 HG2 PRO 58 112.985 4.307 -2.408 396 HG3 PRO 58 HG1 PRO 58 114.172 5.594 -2.665 397 HD2 PRO 58 HD2 PRO 58 112.513 5.094 -0.300 398 HD3 PRO 58 HD1 PRO 58 113.866 6.229 -0.481 399 H SER 59 HN SER 59 109.977 5.654 -0.930 400 HA SER 59 HA SER 59 107.400 6.715 -2.006 401 HB2 SER 59 HB2 SER 59 108.027 4.680 -3.323 402 HB3 SER 59 HB1 SER 59 108.028 3.759 -1.823 403 HG SER 59 HG SER 59 105.965 4.448 -3.375 404 H LYS 60 HN LYS 60 105.533 5.963 -0.678 405 HA LYS 60 HA LYS 60 106.238 6.110 2.171 406 HB2 LYS 60 HB2 LYS 60 103.451 5.755 1.062 407 HB3 LYS 60 HB1 LYS 60 103.952 6.578 2.540 408 HG2 LYS 60 HG2 LYS 60 105.150 8.266 1.100 409 HG3 LYS 60 HG1 LYS 60 104.418 7.498 -0.309 410 HD2 LYS 60 HD2 LYS 60 102.164 7.899 0.715 411 HD3 LYS 60 HD1 LYS 60 102.958 8.806 2.003 412 HE2 LYS 60 HE2 LYS 60 103.764 10.458 0.465 413 HE3 LYS 60 HE1 LYS 60 103.312 9.474 -0.927 414 HZ1 LYS 60 HZ1 LYS 60 101.783 11.408 0.205 415 HZ2 LYS 60 HZ2 LYS 60 101.120 9.984 0.850 416 HZ3 LYS 60 HZ3 LYS 60 101.221 10.191 -0.833 417 H ALA 61 HN ALA 61 106.904 4.188 3.049 418 HA ALA 61 HA ALA 61 106.053 1.607 2.099 419 HB1 ALA 61 HB1 ALA 61 107.257 0.705 3.960 420 HB2 ALA 61 HB2 ALA 61 107.127 2.214 4.863 421 HB3 ALA 61 HB3 ALA 61 108.161 2.126 3.437 422 H GLU 62 HN GLU 62 104.450 0.227 2.907 423 HA GLU 62 HA GLU 62 102.339 1.549 4.520 424 HB2 GLU 62 HB2 GLU 62 101.951 0.188 2.328 425 HB3 GLU 62 HB1 GLU 62 102.148 -1.232 3.355 426 HG2 GLU 62 HG2 GLU 62 100.379 -0.256 4.881 427 HG3 GLU 62 HG1 GLU 62 100.085 0.966 3.643 428 H ILE 63 HN ILE 63 103.261 1.463 6.596 429 HA ILE 63 HA ILE 63 104.450 -0.807 7.833 430 HB ILE 63 HB ILE 63 102.987 1.594 8.966 431 HG12 ILE 63 HG12 ILE 63 105.347 2.154 9.697 432 HG13 ILE 63 HG11 ILE 63 105.905 0.783 8.743 433 HG21 ILE 63 HG21 ILE 63 104.318 -0.724 10.370 434 HG22 ILE 63 HG22 ILE 63 102.714 -0.053 10.657 435 HG23 ILE 63 HG23 ILE 63 104.147 0.853 11.141 436 HD11 ILE 63 HD11 ILE 63 104.181 2.915 7.483 437 HD12 ILE 63 HD12 ILE 63 105.302 1.794 6.708 438 HD13 ILE 63 HD13 ILE 63 105.918 3.147 7.651 439 H ALA 64 HN ALA 64 103.468 -2.277 9.454 440 HA ALA 64 HA ALA 64 100.506 -2.430 9.415 441 HB1 ALA 64 HB1 ALA 64 100.357 -4.319 8.140 442 HB2 ALA 64 HB2 ALA 64 101.677 -5.097 9.011 443 HB3 ALA 64 HB3 ALA 64 102.027 -4.011 7.669 444 H PHE 65 HN PHE 65 99.883 -4.383 10.968 445 HA PHE 65 HA PHE 65 101.900 -4.785 13.106 446 HB2 PHE 65 HB2 PHE 65 100.408 -3.960 14.857 447 HB3 PHE 65 HB1 PHE 65 100.698 -2.677 13.683 448 HD1 PHE 65 HD1 PHE 65 98.985 -2.324 11.816 449 HD2 PHE 65 HD2 PHE 65 98.205 -4.725 15.292 450 HE1 PHE 65 HE1 PHE 65 96.548 -2.149 11.391 451 HE2 PHE 65 HE2 PHE 65 95.768 -4.549 14.867 452 HZ PHE 65 HZ PHE 65 94.940 -3.261 12.916 453 H GLU 66 HN GLU 66 101.839 -6.954 13.411 454 HA GLU 66 HA GLU 66 99.188 -8.282 13.734 455 HB2 GLU 66 HB2 GLU 66 99.888 -8.652 11.384 456 HB3 GLU 66 HB1 GLU 66 101.412 -9.333 11.956 457 HG2 GLU 66 HG2 GLU 66 100.274 -11.160 13.044 458 HG3 GLU 66 HG1 GLU 66 98.698 -10.425 12.741 459 H ASP 67 HN ASP 67 99.272 -9.257 15.694 460 HA ASP 67 HA ASP 67 101.869 -9.888 16.929 461 HB2 ASP 67 HB2 ASP 67 100.457 -10.572 18.876 462 HB3 ASP 67 HB1 ASP 67 100.130 -8.923 18.340 463 H ARG 68 HN ARG 68 102.832 -11.819 16.584 464 HA ARG 68 HA ARG 68 101.134 -14.180 15.837 465 HB2 ARG 68 HB2 ARG 68 103.830 -13.200 14.997 466 HB3 ARG 68 HB1 ARG 68 103.659 -14.946 15.150 467 HG2 ARG 68 HG2 ARG 68 101.578 -13.372 13.634 468 HG3 ARG 68 HG1 ARG 68 103.103 -13.784 12.853 469 HD2 ARG 68 HD2 ARG 68 101.178 -15.760 14.121 470 HD3 ARG 68 HD1 ARG 68 101.409 -15.508 12.391 471 HE ARG 68 HE ARG 68 103.951 -16.105 13.312 472 HH11 ARG 68 HH21 ARG 68 100.816 -17.528 13.524 473 HH12 ARG 68 HH22 ARG 68 101.414 -19.151 13.607 474 HH21 ARG 68 HH11 ARG 68 104.748 -18.216 13.421 475 HH22 ARG 68 HH12 ARG 68 103.639 -19.541 13.548 476 H LYS 69 HN LYS 69 102.856 -12.851 18.395 477 HA LYS 69 HA LYS 69 103.276 -15.560 19.628 478 HB2 LYS 69 HB2 LYS 69 104.894 -13.046 20.140 479 HB3 LYS 69 HB1 LYS 69 105.172 -14.630 20.853 480 HG2 LYS 69 HG2 LYS 69 105.154 -14.349 17.851 481 HG3 LYS 69 HG1 LYS 69 106.586 -13.868 18.752 482 HD2 LYS 69 HD2 LYS 69 105.349 -16.559 19.311 483 HD3 LYS 69 HD1 LYS 69 106.346 -16.354 17.874 484 HE2 LYS 69 HE2 LYS 69 108.187 -15.480 19.308 485 HE3 LYS 69 HE1 LYS 69 107.194 -15.789 20.732 486 HZ1 LYS 69 HZ1 LYS 69 107.157 -18.109 20.220 487 HZ2 LYS 69 HZ2 LYS 69 108.775 -17.592 20.217 488 HZ3 LYS 69 HZ3 LYS 69 107.963 -17.858 18.749 489 H ASP 70 HN ASP 70 101.366 -12.890 19.686 490 HA ASP 70 HA ASP 70 99.840 -12.110 21.292 491 HB2 ASP 70 HB2 ASP 70 100.053 -14.726 21.872 492 HB3 ASP 70 HB1 ASP 70 100.804 -14.098 23.333 493 H GLY 71 HN GLY 71 103.154 -12.163 21.619 494 HA2 GLY 71 HA2 GLY 71 103.045 -10.108 23.782 495 HA3 GLY 71 HA1 GLY 71 104.175 -11.453 23.918 496 H SER 72 HN SER 72 104.731 -11.534 21.037 497 HA SER 72 HA SER 72 106.615 -9.233 20.932 498 HB2 SER 72 HB2 SER 72 107.931 -10.538 19.520 499 HB3 SER 72 HB1 SER 72 107.155 -11.794 20.481 500 HG SER 72 HG SER 72 105.454 -11.532 18.692 501 H CYS 73 HN CYS 73 105.889 -7.462 19.853 502 HA CYS 73 HA CYS 73 103.634 -7.618 18.021 503 HB2 CYS 73 HB2 CYS 73 104.319 -5.632 19.536 504 HB3 CYS 73 HB1 CYS 73 105.490 -5.250 18.274 505 HG CYS 73 HG CYS 73 103.089 -5.482 16.727 506 H GLY 74 HN GLY 74 103.676 -7.346 15.764 507 HA2 GLY 74 HA2 GLY 74 106.367 -7.636 14.454 508 HA3 GLY 74 HA1 GLY 74 104.925 -8.467 13.881 509 H VAL 75 HN VAL 75 106.808 -5.730 13.518 510 HA VAL 75 HA VAL 75 104.592 -4.095 12.340 511 HB VAL 75 HB VAL 75 107.506 -3.349 12.735 512 HG11 VAL 75 HG11 VAL 75 105.049 -1.609 12.399 513 HG12 VAL 75 HG12 VAL 75 106.114 -2.053 11.065 514 HG13 VAL 75 HG13 VAL 75 106.732 -1.086 12.403 515 HG21 VAL 75 HG21 VAL 75 106.463 -2.004 14.690 516 HG22 VAL 75 HG22 VAL 75 106.694 -3.736 14.933 517 HG23 VAL 75 HG23 VAL 75 105.093 -3.105 14.544 518 H SER 76 HN SER 76 104.179 -4.793 10.299 519 HA SER 76 HA SER 76 106.469 -5.507 8.532 520 HB2 SER 76 HB2 SER 76 104.376 -6.996 8.811 521 HB3 SER 76 HB1 SER 76 103.552 -5.791 7.827 522 HG SER 76 HG SER 76 104.360 -7.153 6.355 523 H TYR 77 HN TYR 77 107.028 -4.275 6.815 524 HA TYR 77 HA TYR 77 105.248 -2.011 6.021 525 HB2 TYR 77 HB2 TYR 77 107.100 -0.479 5.984 526 HB3 TYR 77 HB1 TYR 77 107.113 -1.258 7.564 527 HD1 TYR 77 HD2 TYR 77 108.513 -3.583 7.597 528 HD2 TYR 77 HD1 TYR 77 109.149 -0.326 4.866 529 HE1 TYR 77 HE2 TYR 77 110.820 -4.369 7.193 530 HE2 TYR 77 HE1 TYR 77 111.464 -1.114 4.474 531 HH TYR 77 HH TYR 77 113.085 -2.503 5.221 532 H VAL 78 HN VAL 78 105.007 -1.883 3.823 533 HA VAL 78 HA VAL 78 106.707 -3.701 2.164 534 HB VAL 78 HB VAL 78 104.153 -3.844 2.121 535 HG11 VAL 78 HG11 VAL 78 104.028 -1.228 2.000 536 HG12 VAL 78 HG12 VAL 78 102.875 -2.184 1.075 537 HG13 VAL 78 HG13 VAL 78 104.271 -1.466 0.272 538 HG21 VAL 78 HG21 VAL 78 105.691 -3.308 -0.439 539 HG22 VAL 78 HG22 VAL 78 104.122 -4.110 -0.364 540 HG23 VAL 78 HG23 VAL 78 105.531 -4.860 0.384 541 H VAL 79 HN VAL 79 108.394 -2.741 1.202 542 HA VAL 79 HA VAL 79 108.405 0.167 0.797 543 HB VAL 79 HB VAL 79 110.722 -0.232 -0.048 544 HG11 VAL 79 HG11 VAL 79 110.612 0.147 2.287 545 HG12 VAL 79 HG12 VAL 79 111.535 -1.348 2.157 546 HG13 VAL 79 HG13 VAL 79 109.831 -1.404 2.595 547 HG21 VAL 79 HG21 VAL 79 111.632 -2.542 0.124 548 HG22 VAL 79 HG22 VAL 79 110.344 -2.434 -1.075 549 HG23 VAL 79 HG23 VAL 79 110.017 -3.136 0.509 550 H GLN 80 HN GLN 80 109.043 1.030 -1.417 551 HA GLN 80 HA GLN 80 107.517 -0.448 -3.523 552 HB2 GLN 80 HB2 GLN 80 106.968 1.972 -2.881 553 HB3 GLN 80 HB1 GLN 80 108.484 2.409 -3.672 554 HG2 GLN 80 HG2 GLN 80 107.633 1.129 -5.710 555 HG3 GLN 80 HG1 GLN 80 106.062 1.087 -4.910 556 HE21 GLN 80 HE21 GLN 80 104.733 2.858 -5.321 557 HE22 GLN 80 HE22 GLN 80 105.271 4.369 -5.878 558 H GLU 81 HN GLU 81 110.589 1.392 -3.143 559 HA GLU 81 HA GLU 81 111.880 -0.498 -4.941 560 HB2 GLU 81 HB2 GLU 81 112.682 1.724 -6.307 561 HB3 GLU 81 HB1 GLU 81 111.331 0.707 -6.806 562 HG2 GLU 81 HG2 GLU 81 109.757 2.117 -5.664 563 HG3 GLU 81 HG1 GLU 81 111.053 3.075 -4.949 564 HA PRO 82 HA PRO 82 115.662 0.034 -2.809 565 HB2 PRO 82 HB2 PRO 82 116.777 1.039 -5.392 566 HB3 PRO 82 HB1 PRO 82 117.445 -0.167 -4.271 567 HG2 PRO 82 HG2 PRO 82 116.118 -0.903 -6.555 568 HG3 PRO 82 HG1 PRO 82 116.096 -1.849 -5.077 569 HD2 PRO 82 HD2 PRO 82 113.877 -0.336 -6.264 570 HD3 PRO 82 HD1 PRO 82 113.843 -1.579 -5.005 571 H GLY 83 HN GLY 83 117.080 1.547 -1.961 572 HA2 GLY 83 HA2 GLY 83 117.694 4.124 -2.423 573 HA3 GLY 83 HA1 GLY 83 116.001 4.312 -1.956 574 H ASP 84 HN ASP 84 117.195 5.583 -0.157 575 HA ASP 84 HA ASP 84 118.092 3.748 2.036 576 HB2 ASP 84 HB2 ASP 84 118.897 5.947 3.076 577 HB3 ASP 84 HB1 ASP 84 119.775 5.391 1.653 578 H TYR 85 HN TYR 85 116.052 3.159 2.804 579 HA TYR 85 HA TYR 85 114.004 5.156 3.349 580 HB2 TYR 85 HB2 TYR 85 114.312 2.220 3.501 581 HB3 TYR 85 HB1 TYR 85 113.267 2.878 4.759 582 HD1 TYR 85 HD2 TYR 85 111.238 4.191 4.121 583 HD2 TYR 85 HD1 TYR 85 113.663 2.179 1.204 584 HE1 TYR 85 HE2 TYR 85 109.403 4.380 2.465 585 HE2 TYR 85 HE1 TYR 85 111.832 2.367 -0.452 586 HH TYR 85 HH TYR 85 108.843 2.796 0.160 587 H GLU 86 HN GLU 86 113.754 6.271 5.199 588 HA GLU 86 HA GLU 86 115.565 5.636 7.513 589 HB2 GLU 86 HB2 GLU 86 114.483 8.331 7.668 590 HB3 GLU 86 HB1 GLU 86 116.164 7.841 7.500 591 HG2 GLU 86 HG2 GLU 86 114.288 7.970 5.125 592 HG3 GLU 86 HG1 GLU 86 115.225 9.357 5.657 593 H VAL 87 HN VAL 87 114.549 5.012 9.351 594 HA VAL 87 HA VAL 87 111.650 5.708 9.701 595 HB VAL 87 HB VAL 87 112.203 3.293 9.040 596 HG11 VAL 87 HG11 VAL 87 113.036 3.069 11.935 597 HG12 VAL 87 HG12 VAL 87 114.201 3.197 10.616 598 HG13 VAL 87 HG13 VAL 87 113.095 1.825 10.687 599 HG21 VAL 87 HG21 VAL 87 110.529 2.396 10.601 600 HG22 VAL 87 HG22 VAL 87 110.060 4.012 10.069 601 HG23 VAL 87 HG23 VAL 87 110.768 3.780 11.668 602 H SER 88 HN SER 88 111.136 6.575 11.644 603 HA SER 88 HA SER 88 113.174 6.469 13.845 604 HB2 SER 88 HB2 SER 88 112.841 8.744 14.323 605 HB3 SER 88 HB1 SER 88 112.840 8.717 12.562 606 HG SER 88 HG SER 88 111.059 9.879 13.497 607 H ILE 89 HN ILE 89 112.261 5.026 15.223 608 HA ILE 89 HA ILE 89 109.354 5.324 15.866 609 HB ILE 89 HB ILE 89 109.303 3.040 16.364 610 HG12 ILE 89 HG12 ILE 89 112.292 3.301 16.729 611 HG13 ILE 89 HG11 ILE 89 111.097 2.786 17.913 612 HG21 ILE 89 HG21 ILE 89 111.480 3.109 14.271 613 HG22 ILE 89 HG22 ILE 89 109.835 3.644 13.929 614 HG23 ILE 89 HG23 ILE 89 110.137 1.975 14.407 615 HD11 ILE 89 HD11 ILE 89 112.222 1.244 15.584 616 HD12 ILE 89 HD12 ILE 89 110.640 0.824 16.242 617 HD13 ILE 89 HD13 ILE 89 112.071 0.750 17.270 618 H LYS 90 HN LYS 90 108.762 5.929 17.872 619 HA LYS 90 HA LYS 90 110.723 5.822 20.113 620 HB2 LYS 90 HB2 LYS 90 110.015 8.068 20.799 621 HB3 LYS 90 HB1 LYS 90 110.717 8.136 19.194 622 HG2 LYS 90 HG2 LYS 90 108.097 7.687 18.537 623 HG3 LYS 90 HG1 LYS 90 107.879 8.552 20.047 624 HD2 LYS 90 HD2 LYS 90 107.905 10.235 18.361 625 HD3 LYS 90 HD1 LYS 90 109.497 10.311 19.113 626 HE2 LYS 90 HE2 LYS 90 109.253 8.445 16.799 627 HE3 LYS 90 HE1 LYS 90 109.160 10.162 16.419 628 HZ1 LYS 90 HZ1 LYS 90 111.355 10.177 16.540 629 HZ2 LYS 90 HZ2 LYS 90 111.414 8.611 17.196 630 HZ3 LYS 90 HZ3 LYS 90 111.213 9.956 18.215 631 H PHE 91 HN PHE 91 109.680 4.726 21.781 632 HA PHE 91 HA PHE 91 106.738 4.454 21.599 633 HB2 PHE 91 HB2 PHE 91 108.135 2.523 22.275 634 HB3 PHE 91 HB1 PHE 91 108.648 3.405 23.701 635 HD1 PHE 91 HD1 PHE 91 105.570 2.282 21.911 636 HD2 PHE 91 HD2 PHE 91 107.373 3.264 25.684 637 HE1 PHE 91 HE1 PHE 91 103.519 1.534 23.086 638 HE2 PHE 91 HE2 PHE 91 105.322 2.516 26.858 639 HZ PHE 91 HZ PHE 91 103.397 1.648 25.556 640 H ASN 92 HN ASN 92 105.800 6.391 22.075 641 HA ASN 92 HA ASN 92 104.959 8.072 23.470 642 HB2 ASN 92 HB2 ASN 92 105.364 6.118 25.248 643 HB3 ASN 92 HB1 ASN 92 106.663 7.179 25.788 644 HD21 ASN 92 HD21 ASN 92 103.280 7.770 24.644 645 HD22 ASN 92 HD22 ASN 92 102.855 8.748 25.965 646 H ASP 93 HN ASP 93 107.335 8.348 21.829 647 HA ASP 93 HA ASP 93 108.783 10.139 21.395 648 HB2 ASP 93 HB2 ASP 93 108.566 11.172 24.207 649 HB3 ASP 93 HB1 ASP 93 108.835 12.042 22.700 650 H GLU 94 HN GLU 94 109.427 7.506 23.082 651 HA GLU 94 HA GLU 94 112.100 8.476 24.067 652 HB2 GLU 94 HB2 GLU 94 112.305 6.373 25.229 653 HB3 GLU 94 HB1 GLU 94 110.744 7.088 25.623 654 HG2 GLU 94 HG2 GLU 94 109.948 5.614 23.537 655 HG3 GLU 94 HG1 GLU 94 111.361 4.669 23.966 656 H HIS 95 HN HIS 95 113.267 8.676 22.216 657 HA HIS 95 HA HIS 95 113.084 6.945 19.953 658 HB2 HIS 95 HB2 HIS 95 115.327 7.972 19.351 659 HB3 HIS 95 HB1 HIS 95 114.031 9.129 19.656 660 HD1 HIS 95 HD1 HIS 95 114.028 10.264 22.087 661 HD2 HIS 95 HD2 HIS 95 117.511 8.209 21.076 662 HE1 HIS 95 HE1 HIS 95 115.805 11.013 23.730 663 H ILE 96 HN ILE 96 113.353 4.784 20.399 664 HA ILE 96 HA ILE 96 115.113 3.567 22.195 665 HB ILE 96 HB ILE 96 113.370 2.387 20.880 666 HG12 ILE 96 HG12 ILE 96 116.196 1.315 20.578 667 HG13 ILE 96 HG11 ILE 96 115.056 0.970 21.880 668 HG21 ILE 96 HG21 ILE 96 113.978 3.656 18.752 669 HG22 ILE 96 HG22 ILE 96 113.632 1.939 18.551 670 HG23 ILE 96 HG23 ILE 96 115.299 2.506 18.558 671 HD11 ILE 96 HD11 ILE 96 113.505 0.056 20.033 672 HD12 ILE 96 HD12 ILE 96 114.909 -0.919 20.465 673 HD13 ILE 96 HD13 ILE 96 114.937 0.068 19.004 674 HA PRO 97 HA PRO 97 119.130 4.825 20.648 675 HB2 PRO 97 HB2 PRO 97 120.238 2.152 21.214 676 HB3 PRO 97 HB1 PRO 97 120.637 3.704 21.965 677 HG2 PRO 97 HG2 PRO 97 119.070 1.610 23.121 678 HG3 PRO 97 HG1 PRO 97 119.313 3.235 23.779 679 HD2 PRO 97 HD2 PRO 97 116.890 2.143 22.642 680 HD3 PRO 97 HD1 PRO 97 117.140 3.773 23.294 681 H ASP 98 HN ASP 98 118.430 4.912 18.461 682 HA ASP 98 HA ASP 98 119.731 3.415 16.522 683 HB2 ASP 98 HB2 ASP 98 117.354 2.000 17.597 684 HB3 ASP 98 HB1 ASP 98 117.400 2.099 15.839 685 H SER 99 HN SER 99 116.339 4.395 17.016 686 HA SER 99 HA SER 99 115.931 5.376 14.446 687 HB2 SER 99 HB2 SER 99 114.762 6.003 17.122 688 HB3 SER 99 HB1 SER 99 114.313 7.030 15.766 689 HG SER 99 HG SER 99 113.873 4.950 14.661 690 HA PRO 100 HA PRO 100 115.465 6.784 12.967 691 HB2 PRO 100 HB2 PRO 100 116.480 8.484 11.045 692 HB3 PRO 100 HB1 PRO 100 115.172 8.925 12.154 693 HG2 PRO 100 HG2 PRO 100 117.965 9.891 12.125 694 HG3 PRO 100 HG1 PRO 100 116.555 10.586 12.940 695 HD2 PRO 100 HD2 PRO 100 118.669 8.974 14.115 696 HD3 PRO 100 HD1 PRO 100 117.271 9.701 14.935 697 H PHE 101 HN PHE 101 116.400 4.728 12.201 698 HA PHE 101 HA PHE 101 119.236 4.838 11.219 699 HB2 PHE 101 HB2 PHE 101 118.841 2.258 10.972 700 HB3 PHE 101 HB1 PHE 101 119.109 2.944 12.568 701 HD1 PHE 101 HD1 PHE 101 117.139 3.488 13.977 702 HD2 PHE 101 HD2 PHE 101 116.807 1.099 10.471 703 HE1 PHE 101 HE1 PHE 101 115.018 2.590 14.845 704 HE2 PHE 101 HE2 PHE 101 114.657 0.182 11.307 705 HZ PHE 101 HZ PHE 101 113.755 0.925 13.495 706 H VAL 102 HN VAL 102 119.720 3.685 9.171 707 HA VAL 102 HA VAL 102 117.702 4.417 7.120 708 HB VAL 102 HB VAL 102 120.007 5.235 6.835 709 HG11 VAL 102 HG11 VAL 102 120.760 2.303 6.638 710 HG12 VAL 102 HG12 VAL 102 121.098 3.330 8.031 711 HG13 VAL 102 HG13 VAL 102 121.848 3.680 6.474 712 HG21 VAL 102 HG21 VAL 102 118.512 4.496 4.874 713 HG22 VAL 102 HG22 VAL 102 119.524 3.055 4.795 714 HG23 VAL 102 HG23 VAL 102 120.237 4.648 4.541 715 H VAL 103 HN VAL 103 116.973 2.912 5.565 716 HA VAL 103 HA VAL 103 117.519 0.014 6.133 717 HB VAL 103 HB VAL 103 114.884 1.385 5.557 718 HG11 VAL 103 HG11 VAL 103 114.741 -0.609 4.288 719 HG12 VAL 103 HG12 VAL 103 114.036 -1.059 5.838 720 HG13 VAL 103 HG13 VAL 103 115.694 -1.524 5.456 721 HG21 VAL 103 HG21 VAL 103 114.262 0.305 7.718 722 HG22 VAL 103 HG22 VAL 103 115.584 1.458 7.896 723 HG23 VAL 103 HG23 VAL 103 115.920 -0.273 7.875 724 HA PRO 104 HA PRO 104 118.467 1.126 1.738 725 HB2 PRO 104 HB2 PRO 104 120.336 -1.094 1.664 726 HB3 PRO 104 HB1 PRO 104 120.693 0.638 1.617 727 HG2 PRO 104 HG2 PRO 104 121.182 -1.153 3.801 728 HG3 PRO 104 HG1 PRO 104 121.399 0.603 3.796 729 HD2 PRO 104 HD2 PRO 104 119.292 -0.965 5.085 730 HD3 PRO 104 HD1 PRO 104 119.637 0.768 5.258 731 H VAL 105 HN VAL 105 116.801 0.419 0.482 732 HA VAL 105 HA VAL 105 115.991 -2.441 0.514 733 HB VAL 105 HB VAL 105 114.825 0.064 -0.744 734 HG11 VAL 105 HG11 VAL 105 112.933 -1.366 -1.472 735 HG12 VAL 105 HG12 VAL 105 113.817 -2.791 -0.942 736 HG13 VAL 105 HG13 VAL 105 114.422 -1.834 -2.286 737 HG21 VAL 105 HG21 VAL 105 113.083 -0.209 0.846 738 HG22 VAL 105 HG22 VAL 105 114.585 -0.442 1.739 739 HG23 VAL 105 HG23 VAL 105 113.620 -1.836 1.258 740 H ALA 106 HN ALA 106 116.183 -3.748 -1.410 741 HA ALA 106 HA ALA 106 117.804 -2.595 -3.665 742 HB1 ALA 106 HB1 ALA 106 119.490 -4.121 -3.410 743 HB2 ALA 106 HB2 ALA 106 118.418 -5.380 -2.790 744 HB3 ALA 106 HB3 ALA 106 118.956 -4.079 -1.733 745 H SER 107 HN SER 107 117.092 -3.233 -5.660 746 HA SER 107 HA SER 107 114.757 -5.025 -5.835 747 HB2 SER 107 HB2 SER 107 114.929 -2.842 -7.125 748 HB3 SER 107 HB1 SER 107 116.200 -3.592 -8.086 749 HG SER 107 HG SER 107 114.584 -4.324 -9.218 750 H LEU 108 HN LEU 108 116.356 -6.729 -5.052 751 HA LEU 108 HA LEU 108 117.402 -8.767 -5.571 752 HB2 LEU 108 HB2 LEU 108 115.875 -8.252 -7.801 753 HB3 LEU 108 HB1 LEU 108 117.481 -8.253 -8.517 754 HG LEU 108 HG LEU 108 116.434 -10.486 -6.744 755 HD11 LEU 108 HD11 LEU 108 116.013 -11.720 -8.802 756 HD12 LEU 108 HD12 LEU 108 116.564 -10.348 -9.765 757 HD13 LEU 108 HD13 LEU 108 115.088 -10.218 -8.809 758 HD21 LEU 108 HD21 LEU 108 118.831 -10.499 -6.815 759 HD22 LEU 108 HD22 LEU 108 118.851 -10.135 -8.541 760 HD23 LEU 108 HD23 LEU 108 118.308 -11.715 -7.979 761 H SER 109 HN SER 109 118.380 -5.711 -6.139 762 HA SER 109 HA SER 109 121.028 -6.221 -7.272 763 HB2 SER 109 HB2 SER 109 121.351 -3.868 -7.067 764 HB3 SER 109 HB1 SER 109 119.709 -4.120 -7.646 765 HG SER 109 HG SER 109 118.917 -3.611 -5.696 766 H ASP 110 HN ASP 110 119.546 -6.123 -4.141 767 HA ASP 110 HA ASP 110 120.481 -6.244 -1.974 768 HB2 ASP 110 HB2 ASP 110 121.171 -8.447 -2.971 769 HB3 ASP 110 HB1 ASP 110 122.690 -7.698 -3.464 770 H ASP 111 HN ASP 111 121.374 -4.162 -4.028 771 HA ASP 111 HA ASP 111 123.132 -2.659 -2.343 772 HB2 ASP 111 HB2 ASP 111 124.797 -4.319 -3.138 773 HB3 ASP 111 HB1 ASP 111 124.412 -3.891 -4.805 774 H ALA 112 HN ALA 112 121.538 -3.207 -5.433 775 HA ALA 112 HA ALA 112 120.693 -1.664 -6.987 776 HB1 ALA 112 HB1 ALA 112 121.228 0.542 -5.006 777 HB2 ALA 112 HB2 ALA 112 119.956 -0.642 -4.705 778 HB3 ALA 112 HB3 ALA 112 119.893 0.372 -6.146 779 H ARG 113 HN ARG 113 122.341 -1.741 -8.533 780 HA ARG 113 HA ARG 113 124.908 -0.568 -8.276 781 HB2 ARG 113 HB2 ARG 113 123.238 -1.091 -10.747 782 HB3 ARG 113 HB1 ARG 113 124.962 -0.748 -10.748 783 HG2 ARG 113 HG2 ARG 113 125.461 -2.734 -9.501 784 HG3 ARG 113 HG1 ARG 113 123.756 -3.025 -9.172 785 HD2 ARG 113 HD2 ARG 113 123.808 -2.967 -11.948 786 HD3 ARG 113 HD1 ARG 113 125.346 -3.730 -11.566 787 HE ARG 113 HE ARG 113 122.866 -5.039 -11.500 788 HH11 ARG 113 HH21 ARG 113 125.467 -4.432 -9.307 789 HH12 ARG 113 HH22 ARG 113 125.093 -5.782 -8.296 790 HH21 ARG 113 HH11 ARG 113 122.387 -6.804 -10.197 791 HH22 ARG 113 HH12 ARG 113 123.360 -7.126 -8.800 792 H ARG 114 HN ARG 114 125.215 1.170 -10.456 793 HA ARG 114 HA ARG 114 123.314 3.411 -10.024 794 HB2 ARG 114 HB2 ARG 114 125.280 3.369 -8.323 795 HB3 ARG 114 HB1 ARG 114 126.279 3.828 -9.697 796 HG2 ARG 114 HG2 ARG 114 125.616 5.874 -8.608 797 HG3 ARG 114 HG1 ARG 114 124.687 5.765 -10.088 798 HD2 ARG 114 HD2 ARG 114 122.729 5.773 -8.937 799 HD3 ARG 114 HD1 ARG 114 123.240 4.428 -7.929 800 HE ARG 114 HE ARG 114 123.029 7.147 -7.113 801 HH11 ARG 114 HH21 ARG 114 125.345 4.586 -7.021 802 HH12 ARG 114 HH22 ARG 114 126.174 5.220 -5.640 803 HH21 ARG 114 HH11 ARG 114 124.094 7.973 -5.321 804 HH22 ARG 114 HH12 ARG 114 125.467 7.134 -4.679 805 H LEU 115 HN LEU 115 124.982 1.545 -12.126 806 HA LEU 115 HA LEU 115 125.277 3.741 -14.160 807 HB2 LEU 115 HB2 LEU 115 126.978 1.915 -15.160 808 HB3 LEU 115 HB1 LEU 115 127.499 3.118 -13.983 809 HG LEU 115 HG LEU 115 126.365 0.530 -12.944 810 HD11 LEU 115 HD11 LEU 115 127.932 -0.252 -14.636 811 HD12 LEU 115 HD12 LEU 115 128.647 -0.479 -13.040 812 HD13 LEU 115 HD13 LEU 115 129.167 0.866 -14.056 813 HD21 LEU 115 HD21 LEU 115 127.195 2.645 -11.603 814 HD22 LEU 115 HD22 LEU 115 128.801 2.004 -11.940 815 HD23 LEU 115 HD23 LEU 115 127.637 1.034 -11.037 816 H THR 116 HN THR 116 124.195 0.483 -13.471 817 HA THR 116 HA THR 116 123.045 0.243 -16.221 818 HB THR 116 HB THR 116 122.702 -2.226 -15.188 819 HG1 THR 116 HG1 THR 116 124.887 -2.445 -14.042 820 HG21 THR 116 HG21 THR 116 123.974 -1.744 -17.230 821 HG22 THR 116 HG22 THR 116 124.874 -2.862 -16.206 822 HG23 THR 116 HG23 THR 116 125.329 -1.159 -16.265 823 H VAL 117 HN VAL 117 122.100 -1.233 -13.154 824 HA VAL 117 HA VAL 117 119.299 -0.780 -13.569 825 HB VAL 117 HB VAL 117 120.934 -1.208 -11.053 826 HG11 VAL 117 HG11 VAL 117 118.943 -0.138 -10.303 827 HG12 VAL 117 HG12 VAL 117 118.634 -1.862 -10.098 828 HG13 VAL 117 HG13 VAL 117 117.947 -1.001 -11.475 829 HG21 VAL 117 HG21 VAL 117 119.069 -3.094 -12.520 830 HG22 VAL 117 HG22 VAL 117 120.164 -3.495 -11.198 831 HG23 VAL 117 HG23 VAL 117 120.813 -3.055 -12.777 832 H THR 118 HN THR 118 121.880 1.217 -12.955 833 HA THR 118 HA THR 118 122.167 3.344 -12.047 834 HB THR 118 HB THR 118 121.427 3.793 -14.276 835 HG1 THR 118 HG1 THR 118 119.865 5.691 -13.472 836 HG21 THR 118 HG21 THR 118 118.964 4.221 -14.704 837 HG22 THR 118 HG22 THR 118 118.632 3.463 -13.151 838 HG23 THR 118 HG23 THR 118 119.391 2.533 -14.442 839 H SER 119 HN SER 119 121.395 2.172 -9.950 840 HA SER 119 HA SER 119 120.473 2.638 -7.859 841 HB2 SER 119 HB2 SER 119 119.678 4.772 -7.439 842 HB3 SER 119 HB1 SER 119 120.448 5.074 -8.996 843 HG SER 119 HG SER 119 118.003 5.546 -8.453 844 H1 MET 1 HT1 MET 1 125.572 12.017 -15.998 845 H2 MET 1 HT2 MET 1 125.979 11.869 -17.641 846 H3 MET 1 HT3 MET 1 126.440 10.663 -16.537 847 HA MET 1 HA MET 1 124.040 10.902 -18.010 848 HB2 MET 1 HB2 MET 1 124.931 8.825 -15.988 849 HB3 MET 1 HB1 MET 1 123.773 8.597 -17.299 850 HG2 MET 1 HG2 MET 1 125.604 9.166 -18.925 851 HG3 MET 1 HG1 MET 1 126.734 9.177 -17.572 852 HE1 MET 1 HE1 MET 1 128.032 7.320 -16.903 853 HE2 MET 1 HE2 MET 1 127.394 5.705 -16.604 854 HE3 MET 1 HE3 MET 1 126.687 7.091 -15.777 855 H ALA 2 HN ALA 2 124.216 9.784 -14.635 856 HA ALA 2 HA ALA 2 121.524 10.633 -14.085 857 HB1 ALA 2 HB1 ALA 2 123.790 9.904 -12.204 858 HB2 ALA 2 HB2 ALA 2 122.545 8.814 -12.813 859 HB3 ALA 2 HB3 ALA 2 122.111 10.121 -11.712 860 H SER 3 HN SER 3 120.774 12.495 -13.074 861 HA SER 3 HA SER 3 122.654 14.779 -13.013 862 HB2 SER 3 HB2 SER 3 120.490 15.136 -14.078 863 HB3 SER 3 HB1 SER 3 119.651 14.608 -12.622 864 HG SER 3 HG SER 3 121.526 16.702 -12.505 865 H LYS 4 HN LYS 4 119.973 14.818 -10.824 866 HA LYS 4 HA LYS 4 121.377 13.882 -8.477 867 HB2 LYS 4 HB2 LYS 4 122.626 16.000 -8.991 868 HB3 LYS 4 HB1 LYS 4 121.119 16.883 -8.743 869 HG2 LYS 4 HG2 LYS 4 120.982 16.158 -6.449 870 HG3 LYS 4 HG1 LYS 4 122.323 15.033 -6.667 871 HD2 LYS 4 HD2 LYS 4 123.847 16.923 -7.097 872 HD3 LYS 4 HD1 LYS 4 122.509 18.053 -6.886 873 HE2 LYS 4 HE2 LYS 4 122.197 17.239 -4.569 874 HE3 LYS 4 HE1 LYS 4 123.555 16.135 -4.780 875 HZ1 LYS 4 HZ1 LYS 4 123.557 19.069 -4.595 876 HZ2 LYS 4 HZ2 LYS 4 124.796 18.287 -5.457 877 HZ3 LYS 4 HZ3 LYS 4 124.553 17.941 -3.811 878 HA PRO 5 HA PRO 5 116.743 14.263 -8.263 879 HB2 PRO 5 HB2 PRO 5 116.954 12.083 -6.292 880 HB3 PRO 5 HB1 PRO 5 116.063 12.116 -7.821 881 HG2 PRO 5 HG2 PRO 5 118.447 10.674 -7.346 882 HG3 PRO 5 HG1 PRO 5 117.747 11.015 -8.936 883 HD2 PRO 5 HD2 PRO 5 120.139 12.183 -7.701 884 HD3 PRO 5 HD1 PRO 5 119.594 12.308 -9.388 885 H GLU 6 HN GLU 6 115.622 15.388 -6.652 886 HA GLU 6 HA GLU 6 117.270 16.418 -4.423 887 HB2 GLU 6 HB2 GLU 6 115.114 17.862 -4.107 888 HB3 GLU 6 HB1 GLU 6 116.141 18.165 -5.507 889 HG2 GLU 6 HG2 GLU 6 114.689 16.891 -6.947 890 HG3 GLU 6 HG1 GLU 6 113.747 16.313 -5.573 891 H LYS 7 HN LYS 7 117.185 15.474 -2.483 892 HA LYS 7 HA LYS 7 116.467 14.035 -0.760 893 HB2 LYS 7 HB2 LYS 7 113.911 15.597 -1.206 894 HB3 LYS 7 HB1 LYS 7 114.420 14.808 0.286 895 HG2 LYS 7 HG2 LYS 7 116.323 16.307 0.497 896 HG3 LYS 7 HG1 LYS 7 115.982 17.020 -1.075 897 HD2 LYS 7 HD2 LYS 7 115.035 18.587 0.391 898 HD3 LYS 7 HD1 LYS 7 113.645 17.603 -0.052 899 HE2 LYS 7 HE2 LYS 7 115.311 17.041 2.419 900 HE3 LYS 7 HE1 LYS 7 113.910 18.106 2.438 901 HZ1 LYS 7 HZ1 LYS 7 112.953 16.117 2.957 902 HZ2 LYS 7 HZ2 LYS 7 114.034 15.208 2.013 903 HZ3 LYS 7 HZ3 LYS 7 112.785 16.088 1.270 904 H ARG 8 HN ARG 8 113.888 13.078 -0.169 905 HA ARG 8 HA ARG 8 113.130 11.397 -2.522 906 HB2 ARG 8 HB2 ARG 8 113.414 10.179 0.229 907 HB3 ARG 8 HB1 ARG 8 113.398 9.377 -1.345 908 HG2 ARG 8 HG2 ARG 8 115.545 10.639 -1.852 909 HG3 ARG 8 HG1 ARG 8 115.604 11.065 -0.149 910 HD2 ARG 8 HD2 ARG 8 115.199 8.341 -0.024 911 HD3 ARG 8 HD1 ARG 8 116.199 8.474 -1.463 912 HE ARG 8 HE ARG 8 117.156 8.641 1.180 913 HH11 ARG 8 HH21 ARG 8 117.239 10.553 -1.695 914 HH12 ARG 8 HH22 ARG 8 118.657 11.421 -1.225 915 HH21 ARG 8 HH11 ARG 8 119.009 9.755 1.789 916 HH22 ARG 8 HH12 ARG 8 119.662 10.968 0.738 917 H VAL 9 HN VAL 9 110.982 10.321 -2.106 918 HA VAL 9 HA VAL 9 109.008 12.148 -1.295 919 HB VAL 9 HB VAL 9 109.037 9.139 -1.488 920 HG11 VAL 9 HG11 VAL 9 106.482 9.358 -1.343 921 HG12 VAL 9 HG12 VAL 9 106.768 10.941 -0.621 922 HG13 VAL 9 HG13 VAL 9 107.364 9.487 0.179 923 HG21 VAL 9 HG21 VAL 9 109.125 10.423 -3.576 924 HG22 VAL 9 HG22 VAL 9 107.697 11.336 -3.089 925 HG23 VAL 9 HG23 VAL 9 107.567 9.611 -3.430 926 H ALA 10 HN ALA 10 107.644 12.122 0.651 927 HA ALA 10 HA ALA 10 109.112 11.190 3.106 928 HB1 ALA 10 HB1 ALA 10 107.446 13.692 2.697 929 HB2 ALA 10 HB2 ALA 10 109.195 13.628 2.916 930 HB3 ALA 10 HB3 ALA 10 108.123 13.172 4.240 931 H SER 11 HN SER 11 107.843 10.317 4.767 932 HA SER 11 HA SER 11 104.901 10.076 4.295 933 HB2 SER 11 HB2 SER 11 105.596 8.015 3.386 934 HB3 SER 11 HB1 SER 11 106.892 7.827 4.561 935 HG SER 11 HG SER 11 104.661 6.687 4.755 936 H SER 12 HN SER 12 103.711 9.959 6.216 937 HA SER 12 HA SER 12 105.208 9.761 8.790 938 HB2 SER 12 HB2 SER 12 105.039 12.166 8.284 939 HB3 SER 12 HB1 SER 12 103.299 12.007 8.063 940 HG SER 12 HG SER 12 104.425 12.593 10.260 941 H VAL 13 HN VAL 13 104.198 8.169 9.879 942 HA VAL 13 HA VAL 13 101.338 8.262 10.380 943 HB VAL 13 HB VAL 13 101.275 7.240 8.167 944 HG11 VAL 13 HG11 VAL 13 103.113 5.118 9.304 945 HG12 VAL 13 HG12 VAL 13 103.635 6.411 8.224 946 HG13 VAL 13 HG13 VAL 13 102.489 5.197 7.656 947 HG21 VAL 13 HG21 VAL 13 99.949 5.366 8.693 948 HG22 VAL 13 HG22 VAL 13 99.864 6.339 10.160 949 HG23 VAL 13 HG23 VAL 13 100.936 4.939 10.090 950 H PHE 14 HN PHE 14 100.717 6.243 11.737 951 HA PHE 14 HA PHE 14 102.788 4.638 12.897 952 HB2 PHE 14 HB2 PHE 14 103.055 5.668 15.018 953 HB3 PHE 14 HB1 PHE 14 103.448 6.861 13.815 954 HD1 PHE 14 HD2 PHE 14 101.384 8.343 13.001 955 HD2 PHE 14 HD1 PHE 14 101.620 6.288 16.765 956 HE1 PHE 14 HE2 PHE 14 99.692 9.879 13.947 957 HE2 PHE 14 HE1 PHE 14 99.930 7.830 17.713 958 HZ PHE 14 HZ PHE 14 98.960 9.626 16.303 959 H ILE 15 HN ILE 15 101.889 4.347 15.499 960 HA ILE 15 HA ILE 15 98.983 3.845 15.432 961 HB ILE 15 HB ILE 15 99.612 1.429 16.273 962 HG12 ILE 15 HG12 ILE 15 101.984 2.016 14.491 963 HG13 ILE 15 HG11 ILE 15 102.082 2.032 16.252 964 HG21 ILE 15 HG21 ILE 15 98.372 1.972 14.172 965 HG22 ILE 15 HG22 ILE 15 99.434 0.576 13.993 966 HG23 ILE 15 HG23 ILE 15 99.920 2.141 13.343 967 HD11 ILE 15 HD11 ILE 15 102.759 -0.165 15.442 968 HD12 ILE 15 HD12 ILE 15 101.266 -0.317 14.516 969 HD13 ILE 15 HD13 ILE 15 101.214 -0.312 16.279 970 H THR 16 HN THR 16 98.261 3.060 17.641 971 HA THR 16 HA THR 16 100.112 3.987 19.824 972 HB THR 16 HB THR 16 97.101 4.296 19.821 973 HG1 THR 16 HG1 THR 16 98.323 5.513 18.164 974 HG21 THR 16 HG21 THR 16 98.489 4.266 21.984 975 HG22 THR 16 HG22 THR 16 97.443 5.663 21.730 976 HG23 THR 16 HG23 THR 16 99.175 5.792 21.425 977 H LEU 17 HN LEU 17 100.432 2.470 21.381 978 HA LEU 17 HA LEU 17 98.730 0.020 21.339 979 HB2 LEU 17 HB2 LEU 17 101.241 0.361 22.978 980 HB3 LEU 17 HB1 LEU 17 100.534 -1.118 22.326 981 HG LEU 17 HG LEU 17 101.849 1.099 20.733 982 HD11 LEU 17 HD11 LEU 17 102.661 -1.803 20.971 983 HD12 LEU 17 HD12 LEU 17 103.287 -0.561 22.055 984 HD13 LEU 17 HD13 LEU 17 103.602 -0.461 20.324 985 HD21 LEU 17 HD21 LEU 17 100.081 0.244 19.375 986 HD22 LEU 17 HD22 LEU 17 100.364 -1.409 19.917 987 HD23 LEU 17 HD23 LEU 17 101.523 -0.620 18.848 988 H ALA 18 HN ALA 18 97.496 -0.574 23.095 989 HA ALA 18 HA ALA 18 97.887 0.508 25.731 990 HB1 ALA 18 HB1 ALA 18 95.767 1.709 23.961 991 HB2 ALA 18 HB2 ALA 18 96.901 2.529 25.034 992 HB3 ALA 18 HB3 ALA 18 95.532 1.647 25.708 993 HA PRO 19 HA PRO 19 95.612 -3.195 26.575 994 HB2 PRO 19 HB2 PRO 19 94.178 -2.245 28.885 995 HB3 PRO 19 HB1 PRO 19 95.682 -3.176 28.867 996 HG2 PRO 19 HG2 PRO 19 95.314 -0.321 29.437 997 HG3 PRO 19 HG1 PRO 19 96.761 -1.315 29.665 998 HD2 PRO 19 HD2 PRO 19 96.383 0.657 27.647 999 HD3 PRO 19 HD1 PRO 19 97.695 -0.539 27.726 1000 HA PRO 20 HA PRO 20 91.551 -2.751 24.904 1001 HB2 PRO 20 HB2 PRO 20 90.064 -4.409 26.709 1002 HB3 PRO 20 HB1 PRO 20 90.793 -4.900 25.174 1003 HG2 PRO 20 HG2 PRO 20 91.702 -5.502 27.903 1004 HG3 PRO 20 HG1 PRO 20 92.245 -6.212 26.375 1005 HD2 PRO 20 HD2 PRO 20 93.698 -4.358 27.982 1006 HD3 PRO 20 HD1 PRO 20 94.107 -4.878 26.333 1007 H ARG 21 HN ARG 21 91.066 -3.041 28.446 1008 HA ARG 21 HA ARG 21 88.991 -1.020 28.479 1009 HB2 ARG 21 HB2 ARG 21 89.071 -1.276 30.903 1010 HB3 ARG 21 HB1 ARG 21 89.173 -2.871 30.156 1011 HG2 ARG 21 HG2 ARG 21 91.741 -2.559 30.295 1012 HG3 ARG 21 HG1 ARG 21 91.384 -1.249 31.421 1013 HD2 ARG 21 HD2 ARG 21 91.692 -3.177 32.783 1014 HD3 ARG 21 HD1 ARG 21 89.945 -2.945 32.698 1015 HE ARG 21 HE ARG 21 90.473 -4.663 30.596 1016 HH11 ARG 21 HH21 ARG 21 91.190 -4.560 33.968 1017 HH12 ARG 21 HH22 ARG 21 91.186 -6.282 34.156 1018 HH21 ARG 21 HH11 ARG 21 90.469 -6.911 30.823 1019 HH22 ARG 21 HH12 ARG 21 90.779 -7.612 32.377 1020 H ARG 22 HN ARG 22 89.197 1.021 29.765 1021 HA ARG 22 HA ARG 22 91.663 2.432 29.015 1022 HB2 ARG 22 HB2 ARG 22 89.045 3.263 30.279 1023 HB3 ARG 22 HB1 ARG 22 90.409 4.375 30.176 1024 HG2 ARG 22 HG2 ARG 22 88.895 4.648 28.242 1025 HG3 ARG 22 HG1 ARG 22 90.484 4.078 27.732 1026 HD2 ARG 22 HD2 ARG 22 89.706 1.877 27.361 1027 HD3 ARG 22 HD1 ARG 22 88.244 2.138 28.315 1028 HE ARG 22 HE ARG 22 88.016 3.956 26.236 1029 HH11 ARG 22 HH21 ARG 22 88.588 0.570 26.552 1030 HH12 ARG 22 HH22 ARG 22 87.818 0.165 25.055 1031 HH21 ARG 22 HH11 ARG 22 87.008 3.448 24.280 1032 HH22 ARG 22 HH12 ARG 22 86.921 1.795 23.769 1033 H ASP 23 HN ASP 23 91.941 4.230 31.149 1034 HA ASP 23 HA ASP 23 92.191 2.738 33.654 1035 HB2 ASP 23 HB2 ASP 23 94.177 1.940 32.419 1036 HB3 ASP 23 HB1 ASP 23 94.688 3.610 32.168 1037 H VAL 24 HN VAL 24 91.788 4.218 35.220 1038 HA VAL 24 HA VAL 24 91.729 7.052 34.628 1039 HB VAL 24 HB VAL 24 91.670 5.776 37.373 1040 HG11 VAL 24 HG11 VAL 24 91.835 8.289 37.134 1041 HG12 VAL 24 HG12 VAL 24 90.388 7.733 37.975 1042 HG13 VAL 24 HG13 VAL 24 90.287 8.247 36.291 1043 HG21 VAL 24 HG21 VAL 24 89.441 6.120 35.341 1044 HG22 VAL 24 HG22 VAL 24 89.187 5.698 37.034 1045 HG23 VAL 24 HG23 VAL 24 90.062 4.595 35.972 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 115.329 11.578 39.802 2 H2 GLY 1 HT2 GLY 1 116.175 10.195 40.310 3 H3 GLY 1 HT3 GLY 1 116.730 11.091 38.977 4 HA2 GLY 1 HA2 GLY 1 117.266 13.048 40.316 5 HA3 GLY 1 HA1 GLY 1 116.710 12.090 41.717 6 H ILE 2 HN ILE 2 117.332 9.617 41.627 7 HA ILE 2 HA ILE 2 120.149 9.704 42.284 8 HB ILE 2 HB ILE 2 119.703 9.062 44.720 9 HG12 ILE 2 HG12 ILE 2 117.042 10.419 44.218 10 HG13 ILE 2 HG11 ILE 2 117.234 8.667 44.282 11 HG21 ILE 2 HG21 ILE 2 119.834 11.280 45.479 12 HG22 ILE 2 HG22 ILE 2 118.781 11.888 44.205 13 HG23 ILE 2 HG23 ILE 2 120.434 11.400 43.828 14 HD11 ILE 2 HD11 ILE 2 116.540 9.668 46.475 15 HD12 ILE 2 HD12 ILE 2 118.068 10.549 46.507 16 HD13 ILE 2 HD13 ILE 2 118.065 8.786 46.561 17 HA PRO 3 HA PRO 3 117.627 5.696 41.437 18 HB2 PRO 3 HB2 PRO 3 119.113 5.246 39.036 19 HB3 PRO 3 HB1 PRO 3 117.408 5.700 39.155 20 HG2 PRO 3 HG2 PRO 3 119.720 7.383 38.405 21 HG3 PRO 3 HG1 PRO 3 117.994 7.675 38.135 22 HD2 PRO 3 HD2 PRO 3 119.573 9.021 40.030 23 HD3 PRO 3 HD1 PRO 3 117.798 8.933 40.032 24 H GLU 4 HN GLU 4 120.771 5.741 39.871 25 HA GLU 4 HA GLU 4 122.802 4.666 40.520 26 HB2 GLU 4 HB2 GLU 4 121.994 5.606 42.935 27 HB3 GLU 4 HB1 GLU 4 121.721 3.890 43.227 28 HG2 GLU 4 HG2 GLU 4 124.324 5.186 42.370 29 HG3 GLU 4 HG1 GLU 4 123.978 4.443 43.932 30 H PHE 5 HN PHE 5 119.653 3.655 40.815 31 HA PHE 5 HA PHE 5 120.080 0.754 40.730 32 HB2 PHE 5 HB2 PHE 5 117.841 2.740 41.147 33 HB3 PHE 5 HB1 PHE 5 117.396 1.231 40.312 34 HD1 PHE 5 HD2 PHE 5 118.983 2.575 43.410 35 HD2 PHE 5 HD1 PHE 5 117.170 -0.820 41.504 36 HE1 PHE 5 HE2 PHE 5 118.932 1.383 45.583 37 HE2 PHE 5 HE1 PHE 5 117.119 -2.012 43.677 38 HZ PHE 5 HZ PHE 5 118.000 -0.911 45.717 39 H PHE 6 HN PHE 6 120.909 2.987 38.865 40 HA PHE 6 HA PHE 6 120.925 3.575 36.647 41 HB2 PHE 6 HB2 PHE 6 120.982 1.656 35.044 42 HB3 PHE 6 HB1 PHE 6 122.091 1.482 36.399 43 HD1 PHE 6 HD2 PHE 6 121.605 -0.102 38.242 44 HD2 PHE 6 HD1 PHE 6 119.083 0.173 34.776 45 HE1 PHE 6 HE2 PHE 6 120.569 -2.279 38.822 46 HE2 PHE 6 HE1 PHE 6 118.051 -2.005 35.354 47 HZ PHE 6 HZ PHE 6 118.792 -3.231 37.377 48 H GLN 7 HN GLN 7 119.431 2.136 34.552 49 HA GLN 7 HA GLN 7 117.294 2.109 33.550 50 HB2 GLN 7 HB2 GLN 7 116.125 3.328 36.084 51 HB3 GLN 7 HB1 GLN 7 115.264 2.578 34.757 52 HG2 GLN 7 HG2 GLN 7 117.279 0.964 36.306 53 HG3 GLN 7 HG1 GLN 7 115.657 1.194 36.943 54 HE21 GLN 7 HE21 GLN 7 117.425 -0.051 34.082 55 HE22 GLN 7 HE22 GLN 7 116.187 -1.099 33.581 56 H PHE 8 HN PHE 8 119.114 4.446 34.928 57 HA PHE 8 HA PHE 8 118.276 6.432 32.959 58 HB2 PHE 8 HB2 PHE 8 116.896 6.918 35.032 59 HB3 PHE 8 HB1 PHE 8 118.413 7.205 35.882 60 HD1 PHE 8 HD2 PHE 8 119.862 9.110 35.279 61 HD2 PHE 8 HD1 PHE 8 116.062 8.483 33.378 62 HE1 PHE 8 HE2 PHE 8 119.921 11.428 34.400 63 HE2 PHE 8 HE1 PHE 8 116.120 10.801 32.499 64 HZ PHE 8 HZ PHE 8 118.049 12.274 33.010 65 H THR 9 HN THR 9 120.377 5.439 35.549 66 HA THR 9 HA THR 9 122.596 7.118 34.508 67 HB THR 9 HB THR 9 122.704 5.093 36.764 68 HG1 THR 9 HG1 THR 9 122.192 7.860 37.029 69 HG21 THR 9 HG21 THR 9 124.872 5.848 36.034 70 HG22 THR 9 HG22 THR 9 124.507 6.682 37.543 71 HG23 THR 9 HG23 THR 9 124.338 7.528 36.006 72 H VAL 10 HN VAL 10 121.046 4.415 33.729 73 HA VAL 10 HA VAL 10 122.691 2.246 33.487 74 HB VAL 10 HB VAL 10 120.393 2.359 32.608 75 HG11 VAL 10 HG11 VAL 10 120.579 4.594 31.569 76 HG12 VAL 10 HG12 VAL 10 119.933 3.396 30.449 77 HG13 VAL 10 HG13 VAL 10 121.609 3.913 30.315 78 HG21 VAL 10 HG21 VAL 10 120.782 1.062 30.509 79 HG22 VAL 10 HG22 VAL 10 121.792 0.516 31.846 80 HG23 VAL 10 HG23 VAL 10 122.482 1.519 30.574 81 H GLY 11 HN GLY 11 122.870 5.224 31.612 82 HA2 GLY 11 HA2 GLY 11 125.357 5.782 31.111 83 HA3 GLY 11 HA1 GLY 11 125.375 4.242 30.262 84 HA PRO 12 HA PRO 12 123.878 6.273 26.606 85 HB2 PRO 12 HB2 PRO 12 122.057 4.359 25.659 86 HB3 PRO 12 HB1 PRO 12 123.810 4.283 25.422 87 HG2 PRO 12 HG2 PRO 12 122.109 2.791 27.378 88 HG3 PRO 12 HG1 PRO 12 123.612 2.288 26.588 89 HD2 PRO 12 HD2 PRO 12 123.470 3.123 29.221 90 HD3 PRO 12 HD1 PRO 12 124.937 3.231 28.229 91 H LEU 13 HN LEU 13 122.640 6.981 29.041 92 HA LEU 13 HA LEU 13 120.606 7.585 30.082 93 HB2 LEU 13 HB2 LEU 13 119.449 9.363 28.552 94 HB3 LEU 13 HB1 LEU 13 121.066 9.676 29.166 95 HG LEU 13 HG LEU 13 120.780 8.314 26.501 96 HD11 LEU 13 HD11 LEU 13 120.736 10.547 25.404 97 HD12 LEU 13 HD12 LEU 13 120.456 11.281 26.983 98 HD13 LEU 13 HD13 LEU 13 119.255 10.190 26.292 99 HD21 LEU 13 HD21 LEU 13 122.731 10.487 27.248 100 HD22 LEU 13 HD22 LEU 13 122.936 9.160 26.107 101 HD23 LEU 13 HD23 LEU 13 122.989 8.848 27.838 102 H GLY 14 HN GLY 14 119.331 5.816 30.292 103 HA2 GLY 14 HA2 GLY 14 117.987 4.181 28.602 104 HA3 GLY 14 HA1 GLY 14 117.208 4.772 30.073 105 H GLU 15 HN GLU 15 117.238 7.551 29.158 106 HA GLU 15 HA GLU 15 115.746 8.980 28.059 107 HB2 GLU 15 HB2 GLU 15 117.126 7.859 26.168 108 HB3 GLU 15 HB1 GLU 15 115.664 6.933 25.856 109 HG2 GLU 15 HG2 GLU 15 114.381 9.041 25.608 110 HG3 GLU 15 HG1 GLU 15 115.865 9.957 25.874 111 H GLY 16 HN GLY 16 114.965 6.221 29.414 112 HA2 GLY 16 HA2 GLY 16 112.845 5.746 30.365 113 HA3 GLY 16 HA1 GLY 16 112.059 6.665 29.081 114 H GLY 17 HN GLY 17 110.635 5.079 28.434 115 HA2 GLY 17 HA2 GLY 17 110.910 2.367 28.227 116 HA3 GLY 17 HA1 GLY 17 109.963 3.285 27.068 117 H ALA 18 HN ALA 18 112.578 4.686 26.196 118 HA ALA 18 HA ALA 18 113.145 3.306 23.881 119 HB1 ALA 18 HB1 ALA 18 114.155 5.535 24.878 120 HB2 ALA 18 HB2 ALA 18 115.047 4.636 23.656 121 HB3 ALA 18 HB3 ALA 18 115.481 4.485 25.359 122 H HIS 19 HN HIS 19 113.903 2.279 27.062 123 HA HIS 19 HA HIS 19 115.922 0.320 26.120 124 HB2 HIS 19 HB2 HIS 19 116.494 1.422 28.181 125 HB3 HIS 19 HB1 HIS 19 114.900 1.102 28.862 126 HD1 HIS 19 HD1 HIS 19 114.345 -1.628 29.019 127 HD2 HIS 19 HD2 HIS 19 118.354 -0.490 28.899 128 HE1 HIS 19 HE1 HIS 19 115.676 -3.600 29.889 129 H LYS 20 HN LYS 20 112.811 0.290 27.934 130 HA LYS 20 HA LYS 20 112.552 -2.572 27.788 131 HB2 LYS 20 HB2 LYS 20 110.320 -2.270 28.626 132 HB3 LYS 20 HB1 LYS 20 111.341 -1.076 29.419 133 HG2 LYS 20 HG2 LYS 20 109.733 0.422 28.768 134 HG3 LYS 20 HG1 LYS 20 110.517 0.340 27.200 135 HD2 LYS 20 HD2 LYS 20 108.950 -1.657 26.719 136 HD3 LYS 20 HD1 LYS 20 108.045 -1.120 28.130 137 HE2 LYS 20 HE2 LYS 20 108.436 1.240 26.639 138 HE3 LYS 20 HE1 LYS 20 108.060 0.010 25.434 139 HZ1 LYS 20 HZ1 LYS 20 106.477 0.432 27.905 140 HZ2 LYS 20 HZ2 LYS 20 106.076 -0.552 26.579 141 HZ3 LYS 20 HZ3 LYS 20 106.097 1.139 26.411 142 H VAL 21 HN VAL 21 112.133 -0.124 25.443 143 HA VAL 21 HA VAL 21 110.132 -1.536 23.853 144 HB VAL 21 HB VAL 21 112.033 0.728 23.161 145 HG11 VAL 21 HG11 VAL 21 109.864 -0.666 21.578 146 HG12 VAL 21 HG12 VAL 21 111.521 -0.313 21.087 147 HG13 VAL 21 HG13 VAL 21 110.344 0.993 21.220 148 HG21 VAL 21 HG21 VAL 21 110.099 1.035 24.870 149 HG22 VAL 21 HG22 VAL 21 109.030 0.863 23.479 150 HG23 VAL 21 HG23 VAL 21 110.202 2.179 23.533 151 H ARG 22 HN ARG 22 110.623 -3.431 22.931 152 HA ARG 22 HA ARG 22 113.412 -3.889 21.949 153 HB2 ARG 22 HB2 ARG 22 112.712 -5.455 23.671 154 HB3 ARG 22 HB1 ARG 22 111.237 -5.817 22.778 155 HG2 ARG 22 HG2 ARG 22 113.008 -7.556 22.477 156 HG3 ARG 22 HG1 ARG 22 112.537 -6.810 20.956 157 HD2 ARG 22 HD2 ARG 22 114.536 -5.592 20.796 158 HD3 ARG 22 HD1 ARG 22 114.858 -5.700 22.526 159 HE ARG 22 HE ARG 22 114.957 -8.332 21.666 160 HH11 ARG 22 HH21 ARG 22 116.418 -5.343 20.764 161 HH12 ARG 22 HH22 ARG 22 117.887 -6.075 20.209 162 HH21 ARG 22 HH11 ARG 22 116.869 -9.306 20.947 163 HH22 ARG 22 HH12 ARG 22 118.142 -8.317 20.314 164 H ALA 23 HN ALA 23 113.747 -4.321 19.832 165 HA ALA 23 HA ALA 23 111.424 -4.944 18.068 166 HB1 ALA 23 HB1 ALA 23 113.513 -2.838 17.416 167 HB2 ALA 23 HB2 ALA 23 111.909 -2.452 18.035 168 HB3 ALA 23 HB3 ALA 23 112.083 -3.244 16.468 169 H GLY 24 HN GLY 24 112.030 -6.866 17.177 170 HA2 GLY 24 HA2 GLY 24 114.731 -7.067 15.946 171 HA3 GLY 24 HA1 GLY 24 114.287 -8.290 17.138 172 H GLY 25 HN GLY 25 114.498 -7.908 13.940 173 HA2 GLY 25 HA2 GLY 25 112.883 -10.174 13.311 174 HA3 GLY 25 HA1 GLY 25 112.001 -8.713 12.873 175 H THR 26 HN THR 26 112.518 -10.184 10.754 176 HA THR 26 HA THR 26 115.150 -9.650 9.599 177 HB THR 26 HB THR 26 114.135 -10.655 7.542 178 HG1 THR 26 HG1 THR 26 112.056 -10.510 7.455 179 HG21 THR 26 HG21 THR 26 113.829 -12.901 8.503 180 HG22 THR 26 HG22 THR 26 113.643 -12.193 10.108 181 HG23 THR 26 HG23 THR 26 115.188 -12.076 9.266 182 H GLY 27 HN GLY 27 112.027 -8.098 9.644 183 HA2 GLY 27 HA2 GLY 27 112.388 -6.487 7.274 184 HA3 GLY 27 HA1 GLY 27 111.268 -6.136 8.593 185 H LEU 28 HN LEU 28 113.814 -6.511 10.343 186 HA LEU 28 HA LEU 28 114.635 -3.647 10.196 187 HB2 LEU 28 HB2 LEU 28 115.114 -5.701 12.377 188 HB3 LEU 28 HB1 LEU 28 115.422 -3.974 12.482 189 HG LEU 28 HG LEU 28 112.674 -5.106 11.918 190 HD11 LEU 28 HD11 LEU 28 113.310 -5.969 14.074 191 HD12 LEU 28 HD12 LEU 28 112.246 -4.592 14.357 192 HD13 LEU 28 HD13 LEU 28 113.989 -4.415 14.556 193 HD21 LEU 28 HD21 LEU 28 112.051 -2.823 12.911 194 HD22 LEU 28 HD22 LEU 28 112.793 -2.793 11.315 195 HD23 LEU 28 HD23 LEU 28 113.751 -2.394 12.741 196 H GLU 29 HN GLU 29 115.640 -5.610 8.296 197 HA GLU 29 HA GLU 29 118.541 -5.328 8.892 198 HB2 GLU 29 HB2 GLU 29 117.346 -7.933 7.908 199 HB3 GLU 29 HB1 GLU 29 119.022 -7.629 8.364 200 HG2 GLU 29 HG2 GLU 29 118.158 -7.048 10.688 201 HG3 GLU 29 HG1 GLU 29 116.599 -7.694 10.176 202 H ARG 30 HN ARG 30 116.091 -6.366 6.485 203 HA ARG 30 HA ARG 30 117.153 -4.572 4.486 204 HB2 ARG 30 HB2 ARG 30 117.988 -6.342 2.917 205 HB3 ARG 30 HB1 ARG 30 118.982 -6.171 4.365 206 HG2 ARG 30 HG2 ARG 30 117.796 -8.072 5.405 207 HG3 ARG 30 HG1 ARG 30 116.811 -8.249 3.952 208 HD2 ARG 30 HD2 ARG 30 118.972 -8.541 2.653 209 HD3 ARG 30 HD1 ARG 30 119.803 -8.637 4.206 210 HE ARG 30 HE ARG 30 117.779 -10.519 4.419 211 HH11 ARG 30 HH21 ARG 30 120.316 -9.807 2.195 212 HH12 ARG 30 HH22 ARG 30 120.539 -11.456 1.716 213 HH21 ARG 30 HH11 ARG 30 118.056 -12.678 3.804 214 HH22 ARG 30 HH12 ARG 30 119.261 -13.081 2.627 215 H GLY 31 HN GLY 31 116.138 -5.132 2.253 216 HA2 GLY 31 HA2 GLY 31 113.665 -6.761 2.458 217 HA3 GLY 31 HA1 GLY 31 113.466 -5.041 2.117 218 H VAL 32 HN VAL 32 112.550 -6.641 0.147 219 HA VAL 32 HA VAL 32 114.640 -6.359 -1.972 220 HB VAL 32 HB VAL 32 112.929 -8.765 -1.360 221 HG11 VAL 32 HG11 VAL 32 114.345 -8.065 -3.946 222 HG12 VAL 32 HG12 VAL 32 112.641 -8.444 -3.741 223 HG13 VAL 32 HG13 VAL 32 113.853 -9.703 -3.530 224 HG21 VAL 32 HG21 VAL 32 115.868 -8.615 -2.035 225 HG22 VAL 32 HG22 VAL 32 114.997 -9.929 -1.246 226 HG23 VAL 32 HG23 VAL 32 115.272 -8.415 -0.388 227 H ALA 33 HN ALA 33 113.848 -5.969 -4.073 228 HA ALA 33 HA ALA 33 111.879 -4.112 -4.453 229 HB1 ALA 33 HB1 ALA 33 111.697 -5.710 -6.791 230 HB2 ALA 33 HB2 ALA 33 113.311 -5.984 -6.152 231 HB3 ALA 33 HB3 ALA 33 112.784 -4.348 -6.527 232 H GLY 34 HN GLY 34 109.812 -4.132 -3.808 233 HA2 GLY 34 HA2 GLY 34 107.600 -4.788 -3.492 234 HA3 GLY 34 HA1 GLY 34 107.802 -5.634 -5.020 235 H VAL 35 HN VAL 35 109.140 -6.174 -1.745 236 HA VAL 35 HA VAL 35 107.964 -8.917 -1.843 237 HB VAL 35 HB VAL 35 110.735 -8.056 -1.040 238 HG11 VAL 35 HG11 VAL 35 110.130 -9.420 0.811 239 HG12 VAL 35 HG12 VAL 35 110.939 -10.529 -0.294 240 HG13 VAL 35 HG13 VAL 35 109.178 -10.507 -0.198 241 HG21 VAL 35 HG21 VAL 35 110.368 -8.737 -3.376 242 HG22 VAL 35 HG22 VAL 35 109.618 -10.237 -2.836 243 HG23 VAL 35 HG23 VAL 35 111.331 -9.957 -2.542 244 HA PRO 36 HA PRO 36 106.306 -6.755 1.845 245 HB2 PRO 36 HB2 PRO 36 104.529 -9.064 2.178 246 HB3 PRO 36 HB1 PRO 36 104.102 -7.381 1.834 247 HG2 PRO 36 HG2 PRO 36 103.954 -9.538 -0.001 248 HG3 PRO 36 HG1 PRO 36 103.834 -7.819 -0.404 249 HD2 PRO 36 HD2 PRO 36 106.054 -9.669 -0.914 250 HD3 PRO 36 HD1 PRO 36 105.812 -8.029 -1.556 251 H ALA 37 HN ALA 37 106.971 -7.049 3.954 252 HA ALA 37 HA ALA 37 107.768 -9.763 4.872 253 HB1 ALA 37 HB1 ALA 37 109.961 -8.775 5.708 254 HB2 ALA 37 HB2 ALA 37 109.639 -7.386 4.672 255 HB3 ALA 37 HB3 ALA 37 109.855 -8.985 3.961 256 H GLU 38 HN GLU 38 108.926 -9.038 7.291 257 HA GLU 38 HA GLU 38 107.462 -6.910 8.572 258 HB2 GLU 38 HB2 GLU 38 105.855 -8.144 9.836 259 HB3 GLU 38 HB1 GLU 38 105.679 -8.705 8.174 260 HG2 GLU 38 HG2 GLU 38 107.328 -10.574 8.799 261 HG3 GLU 38 HG1 GLU 38 107.057 -10.099 10.479 262 H PHE 39 HN PHE 39 107.622 -7.083 10.995 263 HA PHE 39 HA PHE 39 109.889 -8.742 11.924 264 HB2 PHE 39 HB2 PHE 39 110.782 -6.651 13.139 265 HB3 PHE 39 HB1 PHE 39 111.126 -6.786 11.418 266 HD1 PHE 39 HD2 PHE 39 109.330 -5.697 9.820 267 HD2 PHE 39 HD1 PHE 39 109.846 -4.659 13.944 268 HE1 PHE 39 HE2 PHE 39 108.228 -3.517 9.403 269 HE2 PHE 39 HE1 PHE 39 108.756 -2.473 13.534 270 HZ PHE 39 HZ PHE 39 107.942 -1.902 11.262 271 H SER 40 HN SER 40 110.076 -8.065 14.455 272 HA SER 40 HA SER 40 107.258 -8.038 15.499 273 HB2 SER 40 HB2 SER 40 107.962 -9.649 17.209 274 HB3 SER 40 HB1 SER 40 108.254 -10.299 15.598 275 HG SER 40 HG SER 40 110.267 -10.440 16.149 276 H ILE 41 HN ILE 41 106.829 -6.816 17.192 277 HA ILE 41 HA ILE 41 109.035 -5.375 18.615 278 HB ILE 41 HB ILE 41 106.346 -4.253 17.784 279 HG12 ILE 41 HG12 ILE 41 107.790 -4.716 15.822 280 HG13 ILE 41 HG11 ILE 41 107.521 -3.003 16.062 281 HG21 ILE 41 HG21 ILE 41 107.487 -2.071 18.365 282 HG22 ILE 41 HG22 ILE 41 108.792 -3.028 19.069 283 HG23 ILE 41 HG23 ILE 41 107.162 -3.133 19.735 284 HD11 ILE 41 HD11 ILE 41 109.824 -3.345 17.503 285 HD12 ILE 41 HD12 ILE 41 109.783 -2.877 15.811 286 HD13 ILE 41 HD13 ILE 41 110.021 -4.561 16.251 287 H TRP 42 HN TRP 42 108.817 -5.707 20.847 288 HA TRP 42 HA TRP 42 106.045 -6.078 21.908 289 HB2 TRP 42 HB2 TRP 42 106.430 -8.119 22.939 290 HB3 TRP 42 HB1 TRP 42 107.371 -8.319 21.470 291 HD1 TRP 42 HD1 TRP 42 107.988 -7.069 25.102 292 HE1 TRP 42 HE1 TRP 42 110.311 -7.902 25.836 293 HE3 TRP 42 HE3 TRP 42 109.485 -9.416 20.815 294 HZ2 TRP 42 HZ2 TRP 42 112.508 -9.378 24.760 295 HZ3 TRP 42 HZ3 TRP 42 111.693 -10.535 20.704 296 HH2 TRP 42 HH2 TRP 42 113.205 -10.519 22.669 297 H THR 43 HN THR 43 105.720 -5.248 23.928 298 HA THR 43 HA THR 43 107.992 -4.340 25.557 299 HB THR 43 HB THR 43 108.036 -2.322 24.444 300 HG1 THR 43 HG1 THR 43 106.258 -0.942 25.323 301 HG21 THR 43 HG21 THR 43 105.223 -3.010 23.603 302 HG22 THR 43 HG22 THR 43 106.659 -2.847 22.593 303 HG23 THR 43 HG23 THR 43 105.914 -1.415 23.302 304 H ARG 44 HN ARG 44 107.327 -3.731 27.679 305 HA ARG 44 HA ARG 44 104.544 -3.559 28.441 306 HB2 ARG 44 HB2 ARG 44 104.624 -5.658 29.885 307 HB3 ARG 44 HB1 ARG 44 104.453 -5.937 28.158 308 HG2 ARG 44 HG2 ARG 44 107.181 -5.860 29.456 309 HG3 ARG 44 HG1 ARG 44 106.223 -7.333 29.491 310 HD2 ARG 44 HD2 ARG 44 106.053 -6.752 26.834 311 HD3 ARG 44 HD1 ARG 44 107.624 -6.043 27.192 312 HE ARG 44 HE ARG 44 107.120 -8.800 26.847 313 HH11 ARG 44 HH21 ARG 44 108.606 -6.708 29.159 314 HH12 ARG 44 HH22 ARG 44 109.527 -7.972 29.894 315 HH21 ARG 44 HH11 ARG 44 108.330 -10.440 27.784 316 HH22 ARG 44 HH12 ARG 44 109.380 -10.078 29.112 317 H GLU 45 HN GLU 45 106.218 -1.693 29.097 318 HA GLU 45 HA GLU 45 106.658 -2.047 31.985 319 HB2 GLU 45 HB2 GLU 45 108.760 -2.864 30.762 320 HB3 GLU 45 HB1 GLU 45 109.002 -1.184 30.287 321 HG2 GLU 45 HG2 GLU 45 108.897 -0.540 32.708 322 HG3 GLU 45 HG1 GLU 45 108.829 -2.254 33.117 323 H ALA 46 HN ALA 46 107.651 0.202 29.341 324 HA ALA 46 HA ALA 46 107.393 2.541 30.936 325 HB1 ALA 46 HB1 ALA 46 106.886 2.425 27.956 326 HB2 ALA 46 HB2 ALA 46 108.501 2.398 28.663 327 HB3 ALA 46 HB3 ALA 46 107.461 3.800 28.896 328 H GLY 47 HN GLY 47 105.022 0.691 29.110 329 HA2 GLY 47 HA2 GLY 47 102.678 0.666 29.650 330 HA3 GLY 47 HA1 GLY 47 102.858 2.228 30.447 331 H ALA 48 HN ALA 48 101.011 2.964 29.192 332 HA ALA 48 HA ALA 48 100.761 2.947 26.394 333 HB1 ALA 48 HB1 ALA 48 98.969 3.740 27.854 334 HB2 ALA 48 HB2 ALA 48 99.380 5.001 26.692 335 HB3 ALA 48 HB3 ALA 48 99.954 5.115 28.356 336 H GLY 49 HN GLY 49 101.105 4.792 24.878 337 HA2 GLY 49 HA2 GLY 49 102.812 6.989 25.363 338 HA3 GLY 49 HA1 GLY 49 103.839 5.646 24.857 339 H GLY 50 HN GLY 50 104.230 7.168 22.968 340 HA2 GLY 50 HA2 GLY 50 102.183 6.659 20.831 341 HA3 GLY 50 HA1 GLY 50 102.919 8.254 21.012 342 H LEU 51 HN LEU 51 103.142 5.453 19.280 343 HA LEU 51 HA LEU 51 106.114 5.563 18.991 344 HB2 LEU 51 HB2 LEU 51 104.971 3.348 19.331 345 HB3 LEU 51 HB1 LEU 51 104.128 3.603 17.808 346 HG LEU 51 HG LEU 51 106.393 3.839 16.693 347 HD11 LEU 51 HD11 LEU 51 107.261 3.096 19.485 348 HD12 LEU 51 HD12 LEU 51 107.945 4.296 18.391 349 HD13 LEU 51 HD13 LEU 51 108.224 2.583 18.100 350 HD21 LEU 51 HD21 LEU 51 106.798 1.386 16.691 351 HD22 LEU 51 HD22 LEU 51 105.083 1.771 16.550 352 HD23 LEU 51 HD23 LEU 51 105.741 1.227 18.093 353 H SER 52 HN SER 52 106.596 7.222 17.601 354 HA SER 52 HA SER 52 104.932 7.701 15.204 355 HB2 SER 52 HB2 SER 52 105.649 9.695 16.316 356 HB3 SER 52 HB1 SER 52 107.309 9.116 16.418 357 HG SER 52 HG SER 52 107.010 9.027 13.965 358 H ILE 53 HN ILE 53 105.701 7.257 13.047 359 HA ILE 53 HA ILE 53 108.417 5.993 12.866 360 HB ILE 53 HB ILE 53 105.921 5.000 11.470 361 HG12 ILE 53 HG12 ILE 53 107.471 3.706 13.732 362 HG13 ILE 53 HG11 ILE 53 105.971 4.604 13.967 363 HG21 ILE 53 HG21 ILE 53 107.412 3.080 10.905 364 HG22 ILE 53 HG22 ILE 53 108.759 3.953 11.634 365 HG23 ILE 53 HG23 ILE 53 107.962 4.601 10.202 366 HD11 ILE 53 HD11 ILE 53 106.246 2.222 12.113 367 HD12 ILE 53 HD12 ILE 53 104.755 3.058 12.548 368 HD13 ILE 53 HD13 ILE 53 105.629 2.124 13.762 369 H ALA 54 HN ALA 54 109.447 7.593 11.730 370 HA ALA 54 HA ALA 54 108.086 8.869 9.425 371 HB1 ALA 54 HB1 ALA 54 110.888 9.397 10.447 372 HB2 ALA 54 HB2 ALA 54 109.465 10.180 11.135 373 HB3 ALA 54 HB3 ALA 54 109.887 10.447 9.443 374 H VAL 55 HN VAL 55 108.153 7.542 7.677 375 HA VAL 55 HA VAL 55 110.627 5.988 7.098 376 HB VAL 55 HB VAL 55 108.933 5.207 5.140 377 HG11 VAL 55 HG11 VAL 55 108.227 3.360 6.619 378 HG12 VAL 55 HG12 VAL 55 108.757 4.281 8.026 379 HG13 VAL 55 HG13 VAL 55 109.938 3.728 6.840 380 HG21 VAL 55 HG21 VAL 55 106.649 5.318 5.754 381 HG22 VAL 55 HG22 VAL 55 107.253 6.940 6.083 382 HG23 VAL 55 HG23 VAL 55 107.022 5.802 7.409 383 H GLU 56 HN GLU 56 111.844 6.353 5.261 384 HA GLU 56 HA GLU 56 110.896 8.390 3.304 385 HB2 GLU 56 HB2 GLU 56 112.171 9.823 4.679 386 HB3 GLU 56 HB1 GLU 56 113.374 8.589 5.022 387 HG2 GLU 56 HG2 GLU 56 114.303 8.766 2.815 388 HG3 GLU 56 HG1 GLU 56 112.941 9.716 2.253 389 H GLY 57 HN GLY 57 111.727 7.973 1.210 390 HA2 GLY 57 HA2 GLY 57 113.911 6.465 0.453 391 HA3 GLY 57 HA1 GLY 57 112.675 5.259 0.801 392 HA PRO 58 HA PRO 58 112.258 6.798 -3.607 393 HB2 PRO 58 HB2 PRO 58 112.018 4.012 -4.420 394 HB3 PRO 58 HB1 PRO 58 113.270 5.189 -4.833 395 HG2 PRO 58 HG2 PRO 58 113.547 2.945 -3.076 396 HG3 PRO 58 HG1 PRO 58 114.744 4.214 -3.372 397 HD2 PRO 58 HD2 PRO 58 113.058 3.820 -1.004 398 HD3 PRO 58 HD1 PRO 58 114.417 4.942 -1.223 399 H SER 59 HN SER 59 110.508 4.287 -1.787 400 HA SER 59 HA SER 59 107.972 5.317 -3.015 401 HB2 SER 59 HB2 SER 59 108.838 2.439 -2.708 402 HB3 SER 59 HB1 SER 59 107.154 2.904 -2.929 403 HG SER 59 HG SER 59 107.889 4.036 -4.843 404 H LYS 60 HN LYS 60 106.104 5.027 -1.680 405 HA LYS 60 HA LYS 60 106.672 5.377 1.138 406 HB2 LYS 60 HB2 LYS 60 104.803 6.552 0.046 407 HB3 LYS 60 HB1 LYS 60 104.034 5.006 -0.313 408 HG2 LYS 60 HG2 LYS 60 103.749 4.524 2.034 409 HG3 LYS 60 HG1 LYS 60 104.713 5.929 2.487 410 HD2 LYS 60 HD2 LYS 60 103.045 7.437 1.558 411 HD3 LYS 60 HD1 LYS 60 102.105 6.073 0.949 412 HE2 LYS 60 HE2 LYS 60 101.985 5.270 3.383 413 HE3 LYS 60 HE1 LYS 60 102.577 6.871 3.825 414 HZ1 LYS 60 HZ1 LYS 60 100.409 7.383 3.804 415 HZ2 LYS 60 HZ2 LYS 60 99.986 6.069 2.812 416 HZ3 LYS 60 HZ3 LYS 60 100.617 7.489 2.124 417 H ALA 61 HN ALA 61 107.548 3.483 1.991 418 HA ALA 61 HA ALA 61 106.612 0.851 1.449 419 HB1 ALA 61 HB1 ALA 61 108.779 1.329 2.549 420 HB2 ALA 61 HB2 ALA 61 107.808 0.206 3.501 421 HB3 ALA 61 HB3 ALA 61 107.917 1.901 3.977 422 H GLU 62 HN GLU 62 104.701 -0.083 2.022 423 HA GLU 62 HA GLU 62 102.827 1.325 3.703 424 HB2 GLU 62 HB2 GLU 62 102.353 -0.376 1.774 425 HB3 GLU 62 HB1 GLU 62 102.564 -1.603 3.022 426 HG2 GLU 62 HG2 GLU 62 100.753 -0.688 4.327 427 HG3 GLU 62 HG1 GLU 62 100.635 0.723 3.275 428 H ILE 63 HN ILE 63 101.776 0.087 5.602 429 HA ILE 63 HA ILE 63 103.747 -1.449 7.206 430 HB ILE 63 HB ILE 63 102.338 1.103 8.056 431 HG12 ILE 63 HG12 ILE 63 105.260 0.310 8.244 432 HG13 ILE 63 HG11 ILE 63 104.590 1.208 6.883 433 HG21 ILE 63 HG21 ILE 63 103.645 -1.072 9.704 434 HG22 ILE 63 HG22 ILE 63 102.036 -0.380 9.899 435 HG23 ILE 63 HG23 ILE 63 103.461 0.576 10.304 436 HD11 ILE 63 HD11 ILE 63 105.500 2.821 8.425 437 HD12 ILE 63 HD12 ILE 63 104.663 2.072 9.784 438 HD13 ILE 63 HD13 ILE 63 103.743 2.919 8.539 439 H ALA 64 HN ALA 64 102.628 -2.821 8.833 440 HA ALA 64 HA ALA 64 99.673 -2.680 8.837 441 HB1 ALA 64 HB1 ALA 64 99.282 -4.486 7.504 442 HB2 ALA 64 HB2 ALA 64 100.497 -5.452 8.339 443 HB3 ALA 64 HB3 ALA 64 100.973 -4.383 7.021 444 H PHE 65 HN PHE 65 99.263 -2.712 10.986 445 HA PHE 65 HA PHE 65 101.081 -4.132 12.826 446 HB2 PHE 65 HB2 PHE 65 99.669 -3.133 14.594 447 HB3 PHE 65 HB1 PHE 65 100.227 -1.910 13.452 448 HD1 PHE 65 HD1 PHE 65 98.688 -1.000 11.727 449 HD2 PHE 65 HD2 PHE 65 97.339 -3.728 14.759 450 HE1 PHE 65 HE1 PHE 65 96.336 -0.386 11.234 451 HE2 PHE 65 HE2 PHE 65 94.987 -3.114 14.265 452 HZ PHE 65 HZ PHE 65 94.486 -1.443 12.503 453 H GLU 66 HN GLU 66 100.714 -6.185 13.478 454 HA GLU 66 HA GLU 66 97.916 -7.210 13.594 455 HB2 GLU 66 HB2 GLU 66 98.851 -7.905 11.402 456 HB3 GLU 66 HB1 GLU 66 100.211 -8.659 12.235 457 HG2 GLU 66 HG2 GLU 66 98.781 -10.255 13.313 458 HG3 GLU 66 HG1 GLU 66 97.330 -9.391 12.803 459 H ASP 67 HN ASP 67 97.929 -7.401 15.826 460 HA ASP 67 HA ASP 67 100.217 -8.429 17.290 461 HB2 ASP 67 HB2 ASP 67 98.464 -8.575 19.174 462 HB3 ASP 67 HB1 ASP 67 98.794 -6.973 18.513 463 H ARG 68 HN ARG 68 100.719 -10.538 17.645 464 HA ARG 68 HA ARG 68 98.764 -12.625 16.784 465 HB2 ARG 68 HB2 ARG 68 101.753 -12.737 17.279 466 HB3 ARG 68 HB1 ARG 68 100.766 -14.125 16.818 467 HG2 ARG 68 HG2 ARG 68 100.108 -12.993 14.740 468 HG3 ARG 68 HG1 ARG 68 101.049 -11.574 15.203 469 HD2 ARG 68 HD2 ARG 68 102.152 -14.356 14.712 470 HD3 ARG 68 HD1 ARG 68 102.339 -12.964 13.646 471 HE ARG 68 HE ARG 68 103.368 -12.080 16.057 472 HH11 ARG 68 HH21 ARG 68 103.841 -14.799 13.990 473 HH12 ARG 68 HH22 ARG 68 105.511 -14.992 14.405 474 HH21 ARG 68 HH11 ARG 68 105.545 -12.316 16.612 475 HH22 ARG 68 HH12 ARG 68 106.477 -13.586 15.890 476 H LYS 69 HN LYS 69 100.698 -11.550 19.522 477 HA LYS 69 HA LYS 69 99.283 -13.552 21.260 478 HB2 LYS 69 HB2 LYS 69 101.980 -12.341 21.903 479 HB3 LYS 69 HB1 LYS 69 101.240 -13.806 22.556 480 HG2 LYS 69 HG2 LYS 69 101.332 -14.711 20.133 481 HG3 LYS 69 HG1 LYS 69 102.451 -13.383 19.823 482 HD2 LYS 69 HD2 LYS 69 102.799 -15.495 21.972 483 HD3 LYS 69 HD1 LYS 69 103.652 -15.463 20.429 484 HE2 LYS 69 HE2 LYS 69 104.455 -13.123 21.086 485 HE3 LYS 69 HE1 LYS 69 103.861 -13.486 22.707 486 HZ1 LYS 69 HZ1 LYS 69 106.106 -14.113 22.693 487 HZ2 LYS 69 HZ2 LYS 69 105.980 -14.884 21.185 488 HZ3 LYS 69 HZ3 LYS 69 105.246 -15.568 22.556 489 H ASP 70 HN ASP 70 99.095 -10.482 20.406 490 HA ASP 70 HA ASP 70 98.144 -8.623 21.493 491 HB2 ASP 70 HB2 ASP 70 97.201 -10.663 22.987 492 HB3 ASP 70 HB1 ASP 70 98.253 -9.937 24.192 493 H GLY 71 HN GLY 71 100.791 -10.355 23.043 494 HA2 GLY 71 HA2 GLY 71 101.845 -7.894 24.271 495 HA3 GLY 71 HA1 GLY 71 102.524 -9.509 24.431 496 H SER 72 HN SER 72 102.626 -10.117 21.617 497 HA SER 72 HA SER 72 104.996 -8.469 20.895 498 HB2 SER 72 HB2 SER 72 105.244 -10.918 20.845 499 HB3 SER 72 HB1 SER 72 103.906 -11.040 19.706 500 HG SER 72 HG SER 72 105.519 -10.894 18.330 501 H CYS 73 HN CYS 73 104.552 -6.715 19.651 502 HA CYS 73 HA CYS 73 102.176 -6.691 17.896 503 HB2 CYS 73 HB2 CYS 73 104.232 -4.630 18.700 504 HB3 CYS 73 HB1 CYS 73 103.080 -4.321 17.401 505 HG CYS 73 HG CYS 73 101.141 -4.453 19.080 506 H GLY 74 HN GLY 74 102.387 -7.592 15.910 507 HA2 GLY 74 HA2 GLY 74 105.046 -7.671 14.590 508 HA3 GLY 74 HA1 GLY 74 103.611 -8.561 14.079 509 H VAL 75 HN VAL 75 105.553 -6.016 13.264 510 HA VAL 75 HA VAL 75 103.339 -4.490 11.920 511 HB VAL 75 HB VAL 75 105.835 -3.108 11.618 512 HG11 VAL 75 HG11 VAL 75 103.538 -2.581 13.528 513 HG12 VAL 75 HG12 VAL 75 103.600 -2.072 11.840 514 HG13 VAL 75 HG13 VAL 75 104.743 -1.404 13.005 515 HG21 VAL 75 HG21 VAL 75 106.731 -4.473 13.455 516 HG22 VAL 75 HG22 VAL 75 105.343 -4.054 14.459 517 HG23 VAL 75 HG23 VAL 75 106.493 -2.807 13.982 518 H SER 76 HN SER 76 102.998 -5.401 9.964 519 HA SER 76 HA SER 76 105.278 -6.408 8.384 520 HB2 SER 76 HB2 SER 76 102.438 -6.320 7.390 521 HB3 SER 76 HB1 SER 76 103.705 -7.486 7.020 522 HG SER 76 HG SER 76 103.024 -7.284 9.686 523 H TYR 77 HN TYR 77 105.797 -5.522 6.288 524 HA TYR 77 HA TYR 77 104.514 -2.930 5.566 525 HB2 TYR 77 HB2 TYR 77 106.668 -1.775 5.477 526 HB3 TYR 77 HB1 TYR 77 106.486 -2.466 7.088 527 HD1 TYR 77 HD2 TYR 77 107.446 -4.895 7.402 528 HD2 TYR 77 HD1 TYR 77 108.613 -2.225 4.248 529 HE1 TYR 77 HE2 TYR 77 109.525 -6.197 7.069 530 HE2 TYR 77 HE1 TYR 77 110.698 -3.526 3.919 531 HH TYR 77 HH TYR 77 112.091 -5.279 5.838 532 H VAL 78 HN VAL 78 105.606 -2.150 3.376 533 HA VAL 78 HA VAL 78 106.597 -4.457 1.771 534 HB VAL 78 HB VAL 78 104.030 -4.333 1.679 535 HG11 VAL 78 HG11 VAL 78 104.199 -1.734 1.399 536 HG12 VAL 78 HG12 VAL 78 102.977 -2.613 0.485 537 HG13 VAL 78 HG13 VAL 78 104.470 -2.104 -0.302 538 HG21 VAL 78 HG21 VAL 78 104.060 -4.670 -0.836 539 HG22 VAL 78 HG22 VAL 78 105.236 -5.637 0.055 540 HG23 VAL 78 HG23 VAL 78 105.757 -4.189 -0.807 541 H VAL 79 HN VAL 79 108.380 -3.723 0.786 542 HA VAL 79 HA VAL 79 108.663 -0.835 0.167 543 HB VAL 79 HB VAL 79 110.998 -1.581 -0.530 544 HG11 VAL 79 HG11 VAL 79 111.609 -2.168 1.932 545 HG12 VAL 79 HG12 VAL 79 109.889 -1.968 2.258 546 HG13 VAL 79 HG13 VAL 79 110.829 -0.616 1.626 547 HG21 VAL 79 HG21 VAL 79 110.240 -3.977 -0.921 548 HG22 VAL 79 HG22 VAL 79 110.165 -4.162 0.831 549 HG23 VAL 79 HG23 VAL 79 111.704 -3.813 0.047 550 H GLN 80 HN GLN 80 109.096 -0.109 -2.019 551 HA GLN 80 HA GLN 80 107.847 -1.868 -4.055 552 HB2 GLN 80 HB2 GLN 80 107.257 0.628 -3.647 553 HB3 GLN 80 HB1 GLN 80 108.753 0.973 -4.515 554 HG2 GLN 80 HG2 GLN 80 107.030 0.975 -6.169 555 HG3 GLN 80 HG1 GLN 80 107.876 -0.560 -6.361 556 HE21 GLN 80 HE21 GLN 80 105.227 0.623 -4.197 557 HE22 GLN 80 HE22 GLN 80 104.211 -0.707 -4.481 558 H GLU 81 HN GLU 81 110.886 0.034 -3.665 559 HA GLU 81 HA GLU 81 112.235 -1.957 -5.365 560 HB2 GLU 81 HB2 GLU 81 112.035 0.965 -6.127 561 HB3 GLU 81 HB1 GLU 81 113.163 -0.155 -6.874 562 HG2 GLU 81 HG2 GLU 81 110.136 -0.335 -6.936 563 HG3 GLU 81 HG1 GLU 81 111.195 0.061 -8.279 564 HA PRO 82 HA PRO 82 115.852 -1.445 -2.865 565 HB2 PRO 82 HB2 PRO 82 117.201 -0.754 -5.442 566 HB3 PRO 82 HB1 PRO 82 117.725 -1.865 -4.161 567 HG2 PRO 82 HG2 PRO 82 116.551 -2.777 -6.454 568 HG3 PRO 82 HG1 PRO 82 116.353 -3.559 -4.892 569 HD2 PRO 82 HD2 PRO 82 114.330 -2.081 -6.417 570 HD3 PRO 82 HD1 PRO 82 114.125 -3.190 -5.056 571 H GLY 83 HN GLY 83 117.430 0.091 -2.214 572 HA2 GLY 83 HA2 GLY 83 118.107 2.584 -2.950 573 HA3 GLY 83 HA1 GLY 83 116.431 2.875 -2.481 574 H ASP 84 HN ASP 84 117.518 4.298 -0.851 575 HA ASP 84 HA ASP 84 118.584 2.786 1.503 576 HB2 ASP 84 HB2 ASP 84 118.647 5.780 1.059 577 HB3 ASP 84 HB1 ASP 84 119.596 4.837 2.206 578 H TYR 85 HN TYR 85 116.466 2.133 2.250 579 HA TYR 85 HA TYR 85 114.422 4.156 2.719 580 HB2 TYR 85 HB2 TYR 85 114.705 1.224 3.088 581 HB3 TYR 85 HB1 TYR 85 113.633 2.008 4.245 582 HD1 TYR 85 HD2 TYR 85 111.667 3.306 3.436 583 HD2 TYR 85 HD1 TYR 85 114.119 0.992 0.778 584 HE1 TYR 85 HE2 TYR 85 109.889 3.403 1.716 585 HE2 TYR 85 HE1 TYR 85 112.343 1.083 -0.945 586 HH TYR 85 HH TYR 85 109.348 1.639 -0.465 587 H GLU 86 HN GLU 86 114.232 5.393 4.465 588 HA GLU 86 HA GLU 86 116.057 4.902 6.797 589 HB2 GLU 86 HB2 GLU 86 114.888 7.591 6.740 590 HB3 GLU 86 HB1 GLU 86 116.586 7.127 6.720 591 HG2 GLU 86 HG2 GLU 86 114.853 7.043 4.235 592 HG3 GLU 86 HG1 GLU 86 115.769 8.468 4.705 593 H VAL 87 HN VAL 87 115.039 4.221 8.591 594 HA VAL 87 HA VAL 87 112.144 4.923 8.975 595 HB VAL 87 HB VAL 87 112.663 2.520 8.461 596 HG11 VAL 87 HG11 VAL 87 113.884 2.482 11.229 597 HG12 VAL 87 HG12 VAL 87 114.857 2.584 9.762 598 HG13 VAL 87 HG13 VAL 87 113.841 1.172 10.049 599 HG21 VAL 87 HG21 VAL 87 111.549 3.145 11.215 600 HG22 VAL 87 HG22 VAL 87 111.284 1.640 10.335 601 HG23 VAL 87 HG23 VAL 87 110.638 3.155 9.705 602 H SER 88 HN SER 88 111.644 5.921 10.855 603 HA SER 88 HA SER 88 113.674 5.970 13.054 604 HB2 SER 88 HB2 SER 88 113.566 8.114 11.691 605 HB3 SER 88 HB1 SER 88 111.916 8.303 12.278 606 HG SER 88 HG SER 88 113.240 9.377 13.692 607 H ILE 89 HN ILE 89 112.661 4.609 14.481 608 HA ILE 89 HA ILE 89 109.798 5.157 15.150 609 HB ILE 89 HB ILE 89 109.538 2.912 15.658 610 HG12 ILE 89 HG12 ILE 89 112.511 2.871 16.228 611 HG13 ILE 89 HG11 ILE 89 111.198 2.624 17.373 612 HG21 ILE 89 HG21 ILE 89 110.426 1.658 13.845 613 HG22 ILE 89 HG22 ILE 89 111.875 2.660 13.765 614 HG23 ILE 89 HG23 ILE 89 110.321 3.315 13.253 615 HD11 ILE 89 HD11 ILE 89 110.559 0.592 15.903 616 HD12 ILE 89 HD12 ILE 89 111.977 0.439 16.940 617 HD13 ILE 89 HD13 ILE 89 112.176 0.756 15.217 618 H LYS 90 HN LYS 90 109.330 5.983 17.111 619 HA LYS 90 HA LYS 90 111.327 5.783 19.317 620 HB2 LYS 90 HB2 LYS 90 111.023 8.148 19.814 621 HB3 LYS 90 HB1 LYS 90 111.626 7.986 18.185 622 HG2 LYS 90 HG2 LYS 90 108.950 7.920 17.681 623 HG3 LYS 90 HG1 LYS 90 108.944 8.893 19.143 624 HD2 LYS 90 HD2 LYS 90 109.189 10.549 17.516 625 HD3 LYS 90 HD1 LYS 90 110.871 10.238 17.933 626 HE2 LYS 90 HE2 LYS 90 109.506 8.760 15.671 627 HE3 LYS 90 HE1 LYS 90 110.275 10.324 15.424 628 HZ1 LYS 90 HZ1 LYS 90 112.033 8.981 15.017 629 HZ2 LYS 90 HZ2 LYS 90 111.483 7.739 16.037 630 HZ3 LYS 90 HZ3 LYS 90 112.220 9.120 16.697 631 H PHE 91 HN PHE 91 110.258 5.169 21.231 632 HA PHE 91 HA PHE 91 107.293 5.137 21.139 633 HB2 PHE 91 HB2 PHE 91 108.671 3.241 22.112 634 HB3 PHE 91 HB1 PHE 91 109.072 4.316 23.445 635 HD1 PHE 91 HD1 PHE 91 106.074 3.166 21.513 636 HD2 PHE 91 HD2 PHE 91 107.682 4.287 25.336 637 HE1 PHE 91 HE1 PHE 91 103.906 2.631 22.584 638 HE2 PHE 91 HE2 PHE 91 105.511 3.749 26.407 639 HZ PHE 91 HZ PHE 91 103.622 2.919 25.030 640 H ASN 92 HN ASN 92 106.656 7.282 21.273 641 HA ASN 92 HA ASN 92 106.069 9.258 22.378 642 HB2 ASN 92 HB2 ASN 92 105.971 7.508 24.383 643 HB3 ASN 92 HB1 ASN 92 107.432 8.342 24.910 644 HD21 ASN 92 HD21 ASN 92 106.442 10.945 23.682 645 HD22 ASN 92 HD22 ASN 92 105.262 11.510 24.764 646 H ASP 93 HN ASP 93 108.427 8.999 20.883 647 HA ASP 93 HA ASP 93 110.203 10.447 20.345 648 HB2 ASP 93 HB2 ASP 93 110.286 11.560 23.142 649 HB3 ASP 93 HB1 ASP 93 110.754 12.303 21.619 650 H GLU 94 HN GLU 94 110.179 7.840 22.073 651 HA GLU 94 HA GLU 94 112.861 8.017 23.296 652 HB2 GLU 94 HB2 GLU 94 110.682 5.951 23.137 653 HB3 GLU 94 HB1 GLU 94 112.304 5.439 23.562 654 HG2 GLU 94 HG2 GLU 94 112.347 6.888 25.482 655 HG3 GLU 94 HG1 GLU 94 110.861 7.683 24.975 656 H HIS 95 HN HIS 95 113.885 8.542 21.181 657 HA HIS 95 HA HIS 95 113.804 6.907 18.888 658 HB2 HIS 95 HB2 HIS 95 116.240 8.368 19.941 659 HB3 HIS 95 HB1 HIS 95 115.920 7.917 18.266 660 HD1 HIS 95 HD1 HIS 95 114.467 9.475 16.893 661 HD2 HIS 95 HD2 HIS 95 114.429 10.432 20.950 662 HE1 HIS 95 HE1 HIS 95 113.223 11.672 17.099 663 H ILE 96 HN ILE 96 114.091 4.738 18.920 664 HA ILE 96 HA ILE 96 115.709 3.334 20.826 665 HB ILE 96 HB ILE 96 114.241 2.683 18.286 666 HG12 ILE 96 HG12 ILE 96 113.081 1.101 19.711 667 HG13 ILE 96 HG11 ILE 96 114.257 1.342 21.002 668 HG21 ILE 96 HG21 ILE 96 116.171 0.721 19.562 669 HG22 ILE 96 HG22 ILE 96 116.333 1.419 17.955 670 HG23 ILE 96 HG23 ILE 96 114.995 0.340 18.315 671 HD11 ILE 96 HD11 ILE 96 111.993 2.635 21.115 672 HD12 ILE 96 HD12 ILE 96 112.717 3.688 19.902 673 HD13 ILE 96 HD13 ILE 96 113.481 3.502 21.481 674 HA PRO 97 HA PRO 97 119.791 4.252 19.259 675 HB2 PRO 97 HB2 PRO 97 120.461 1.367 19.476 676 HB3 PRO 97 HB1 PRO 97 121.225 2.760 20.261 677 HG2 PRO 97 HG2 PRO 97 119.445 0.937 21.504 678 HG3 PRO 97 HG1 PRO 97 119.949 2.502 22.159 679 HD2 PRO 97 HD2 PRO 97 117.329 1.764 21.179 680 HD3 PRO 97 HD1 PRO 97 117.829 3.326 21.847 681 H ASP 98 HN ASP 98 118.135 1.333 18.000 682 HA ASP 98 HA ASP 98 119.540 1.179 15.519 683 HB2 ASP 98 HB2 ASP 98 116.577 0.651 15.788 684 HB3 ASP 98 HB1 ASP 98 117.730 -0.125 14.706 685 H SER 99 HN SER 99 116.318 2.605 16.016 686 HA SER 99 HA SER 99 116.485 4.069 13.575 687 HB2 SER 99 HB2 SER 99 114.265 3.997 14.102 688 HB3 SER 99 HB1 SER 99 114.618 3.760 15.807 689 HG SER 99 HG SER 99 114.138 5.774 16.072 690 HA PRO 100 HA PRO 100 115.971 5.917 12.586 691 HB2 PRO 100 HB2 PRO 100 117.328 7.980 11.309 692 HB3 PRO 100 HB1 PRO 100 115.852 8.194 12.262 693 HG2 PRO 100 HG2 PRO 100 118.608 9.014 12.932 694 HG3 PRO 100 HG1 PRO 100 117.084 9.528 13.672 695 HD2 PRO 100 HD2 PRO 100 118.990 7.604 14.709 696 HD3 PRO 100 HD1 PRO 100 117.460 8.122 15.448 697 H PHE 101 HN PHE 101 116.913 4.034 11.490 698 HA PHE 101 HA PHE 101 119.741 4.423 10.498 699 HB2 PHE 101 HB2 PHE 101 120.267 2.130 10.770 700 HB3 PHE 101 HB1 PHE 101 119.561 2.645 12.285 701 HD1 PHE 101 HD1 PHE 101 117.155 2.057 12.786 702 HD2 PHE 101 HD2 PHE 101 119.283 0.419 9.461 703 HE1 PHE 101 HE1 PHE 101 115.492 0.243 12.637 704 HE2 PHE 101 HE2 PHE 101 117.608 -1.401 9.279 705 HZ PHE 101 HZ PHE 101 115.707 -1.491 10.873 706 H VAL 102 HN VAL 102 120.232 3.155 8.511 707 HA VAL 102 HA VAL 102 118.055 3.577 6.587 708 HB VAL 102 HB VAL 102 120.318 4.359 6.054 709 HG11 VAL 102 HG11 VAL 102 121.516 2.599 7.355 710 HG12 VAL 102 HG12 VAL 102 122.145 2.777 5.717 711 HG13 VAL 102 HG13 VAL 102 121.084 1.425 6.112 712 HG21 VAL 102 HG21 VAL 102 118.780 3.542 4.232 713 HG22 VAL 102 HG22 VAL 102 119.598 1.981 4.311 714 HG23 VAL 102 HG23 VAL 102 120.491 3.420 3.827 715 H VAL 103 HN VAL 103 117.111 1.981 5.321 716 HA VAL 103 HA VAL 103 117.657 -0.862 6.115 717 HB VAL 103 HB VAL 103 115.096 0.503 5.258 718 HG11 VAL 103 HG11 VAL 103 115.809 -2.419 5.578 719 HG12 VAL 103 HG12 VAL 103 114.996 -1.635 4.224 720 HG13 VAL 103 HG13 VAL 103 114.148 -1.851 5.754 721 HG21 VAL 103 HG21 VAL 103 114.328 -0.116 7.481 722 HG22 VAL 103 HG22 VAL 103 115.854 0.754 7.640 723 HG23 VAL 103 HG23 VAL 103 115.821 -1.002 7.790 724 HA PRO 104 HA PRO 104 118.821 -0.311 1.673 725 HB2 PRO 104 HB2 PRO 104 120.458 -2.701 1.884 726 HB3 PRO 104 HB1 PRO 104 120.988 -1.026 1.676 727 HG2 PRO 104 HG2 PRO 104 121.231 -2.624 4.046 728 HG3 PRO 104 HG1 PRO 104 121.633 -0.909 3.871 729 HD2 PRO 104 HD2 PRO 104 119.349 -2.104 5.248 730 HD3 PRO 104 HD1 PRO 104 119.856 -0.402 5.228 731 H VAL 105 HN VAL 105 117.182 -0.976 0.377 732 HA VAL 105 HA VAL 105 116.134 -3.764 0.602 733 HB VAL 105 HB VAL 105 115.144 -1.258 -0.798 734 HG11 VAL 105 HG11 VAL 105 114.636 -3.274 -2.191 735 HG12 VAL 105 HG12 VAL 105 113.184 -2.560 -1.503 736 HG13 VAL 105 HG13 VAL 105 113.873 -4.010 -0.788 737 HG21 VAL 105 HG21 VAL 105 113.420 -1.243 0.803 738 HG22 VAL 105 HG22 VAL 105 114.872 -1.621 1.728 739 HG23 VAL 105 HG23 VAL 105 113.743 -2.902 1.294 740 H ALA 106 HN ALA 106 116.507 -5.222 -1.159 741 HA ALA 106 HA ALA 106 118.166 -4.173 -3.448 742 HB1 ALA 106 HB1 ALA 106 118.753 -6.916 -2.466 743 HB2 ALA 106 HB2 ALA 106 119.182 -5.605 -1.370 744 HB3 ALA 106 HB3 ALA 106 119.853 -5.642 -2.996 745 H SER 107 HN SER 107 117.560 -4.861 -5.423 746 HA SER 107 HA SER 107 115.402 -6.901 -5.669 747 HB2 SER 107 HB2 SER 107 115.098 -4.620 -6.726 748 HB3 SER 107 HB1 SER 107 116.459 -4.990 -7.776 749 HG SER 107 HG SER 107 113.925 -5.674 -8.077 750 H LEU 108 HN LEU 108 116.826 -8.682 -5.405 751 HA LEU 108 HA LEU 108 118.253 -10.384 -6.177 752 HB2 LEU 108 HB2 LEU 108 118.105 -9.095 -8.912 753 HB3 LEU 108 HB1 LEU 108 118.317 -10.798 -8.515 754 HG LEU 108 HG LEU 108 115.808 -9.144 -8.120 755 HD11 LEU 108 HD11 LEU 108 116.357 -10.026 -10.427 756 HD12 LEU 108 HD12 LEU 108 114.840 -10.624 -9.755 757 HD13 LEU 108 HD13 LEU 108 116.272 -11.653 -9.751 758 HD21 LEU 108 HD21 LEU 108 114.880 -11.426 -7.392 759 HD22 LEU 108 HD22 LEU 108 115.920 -10.600 -6.232 760 HD23 LEU 108 HD23 LEU 108 116.560 -11.927 -7.202 761 H SER 109 HN SER 109 118.971 -7.293 -5.839 762 HA SER 109 HA SER 109 121.725 -7.362 -6.956 763 HB2 SER 109 HB2 SER 109 121.776 -5.039 -6.605 764 HB3 SER 109 HB1 SER 109 120.156 -5.364 -7.206 765 HG SER 109 HG SER 109 120.974 -4.990 -4.513 766 H ASP 110 HN ASP 110 119.961 -7.646 -3.973 767 HA ASP 110 HA ASP 110 120.719 -7.952 -1.762 768 HB2 ASP 110 HB2 ASP 110 121.805 -9.908 -2.936 769 HB3 ASP 110 HB1 ASP 110 123.249 -8.913 -3.131 770 H ASP 111 HN ASP 111 121.652 -5.576 -3.617 771 HA ASP 111 HA ASP 111 122.945 -4.086 -1.524 772 HB2 ASP 111 HB2 ASP 111 124.837 -5.556 -2.331 773 HB3 ASP 111 HB1 ASP 111 124.697 -4.765 -3.901 774 H ALA 112 HN ALA 112 122.047 -4.442 -4.937 775 HA ALA 112 HA ALA 112 121.579 -2.763 -6.560 776 HB1 ALA 112 HB1 ALA 112 119.516 -2.649 -5.419 777 HB2 ALA 112 HB2 ALA 112 120.035 -0.968 -5.535 778 HB3 ALA 112 HB3 ALA 112 120.234 -1.851 -4.020 779 H ARG 113 HN ARG 113 123.810 -2.056 -6.854 780 HA ARG 113 HA ARG 113 124.896 0.085 -5.241 781 HB2 ARG 113 HB2 ARG 113 125.814 -1.643 -7.341 782 HB3 ARG 113 HB1 ARG 113 126.129 0.007 -7.867 783 HG2 ARG 113 HG2 ARG 113 126.961 -1.155 -5.191 784 HG3 ARG 113 HG1 ARG 113 128.031 -0.958 -6.577 785 HD2 ARG 113 HD2 ARG 113 127.022 1.578 -6.376 786 HD3 ARG 113 HD1 ARG 113 127.000 1.096 -4.682 787 HE ARG 113 HE ARG 113 129.299 1.909 -6.093 788 HH11 ARG 113 HH21 ARG 113 128.270 -0.789 -4.195 789 HH12 ARG 113 HH22 ARG 113 129.879 -1.303 -3.830 790 HH21 ARG 113 HH11 ARG 113 131.390 1.256 -5.605 791 HH22 ARG 113 HH12 ARG 113 131.641 -0.145 -4.617 792 H ARG 114 HN ARG 114 125.102 2.292 -5.805 793 HA ARG 114 HA ARG 114 122.905 3.320 -7.519 794 HB2 ARG 114 HB2 ARG 114 123.482 4.118 -5.123 795 HB3 ARG 114 HB1 ARG 114 124.846 4.945 -5.875 796 HG2 ARG 114 HG2 ARG 114 123.338 6.201 -7.326 797 HG3 ARG 114 HG1 ARG 114 121.951 5.303 -6.718 798 HD2 ARG 114 HD2 ARG 114 123.066 6.289 -4.377 799 HD3 ARG 114 HD1 ARG 114 123.370 7.603 -5.508 800 HE ARG 114 HE ARG 114 120.895 7.105 -4.287 801 HH11 ARG 114 HH21 ARG 114 122.120 7.381 -7.507 802 HH12 ARG 114 HH22 ARG 114 120.586 7.791 -8.188 803 HH21 ARG 114 HH11 ARG 114 118.903 7.654 -5.166 804 HH22 ARG 114 HH12 ARG 114 118.771 7.953 -6.867 805 H LEU 115 HN LEU 115 125.910 2.316 -8.085 806 HA LEU 115 HA LEU 115 126.482 4.411 -10.163 807 HB2 LEU 115 HB2 LEU 115 128.565 2.827 -8.631 808 HB3 LEU 115 HB1 LEU 115 128.856 4.142 -9.767 809 HG LEU 115 HG LEU 115 127.277 4.468 -7.198 810 HD11 LEU 115 HD11 LEU 115 129.643 3.830 -6.762 811 HD12 LEU 115 HD12 LEU 115 129.290 5.482 -6.255 812 HD13 LEU 115 HD13 LEU 115 130.169 5.189 -7.756 813 HD21 LEU 115 HD21 LEU 115 128.365 6.358 -9.299 814 HD22 LEU 115 HD22 LEU 115 127.953 6.914 -7.677 815 HD23 LEU 115 HD23 LEU 115 126.708 6.216 -8.711 816 H THR 116 HN THR 116 126.215 1.069 -9.333 817 HA THR 116 HA THR 116 127.065 0.249 -12.090 818 HB THR 116 HB THR 116 126.820 -1.458 -9.592 819 HG1 THR 116 HG1 THR 116 129.242 -0.937 -10.862 820 HG21 THR 116 HG21 THR 116 127.939 -2.031 -12.350 821 HG22 THR 116 HG22 THR 116 126.449 -2.694 -11.679 822 HG23 THR 116 HG23 THR 116 128.005 -3.136 -10.977 823 H VAL 117 HN VAL 117 125.028 -1.283 -9.648 824 HA VAL 117 HA VAL 117 122.989 -2.007 -11.556 825 HB VAL 117 HB VAL 117 123.026 -1.779 -8.534 826 HG11 VAL 117 HG11 VAL 117 120.891 -3.225 -8.754 827 HG12 VAL 117 HG12 VAL 117 120.821 -2.642 -10.417 828 HG13 VAL 117 HG13 VAL 117 120.728 -1.499 -9.077 829 HG21 VAL 117 HG21 VAL 117 122.855 -4.247 -10.282 830 HG22 VAL 117 HG22 VAL 117 123.236 -4.167 -8.561 831 HG23 VAL 117 HG23 VAL 117 124.391 -3.563 -9.750 832 H THR 118 HN THR 118 124.028 0.835 -10.260 833 HA THR 118 HA THR 118 123.097 2.929 -9.820 834 HB THR 118 HB THR 118 123.531 3.009 -12.175 835 HG1 THR 118 HG1 THR 118 121.614 4.354 -10.980 836 HG21 THR 118 HG21 THR 118 120.855 1.620 -12.460 837 HG22 THR 118 HG22 THR 118 122.432 1.037 -12.990 838 HG23 THR 118 HG23 THR 118 121.681 2.410 -13.799 839 H SER 119 HN SER 119 121.728 1.549 -8.158 840 HA SER 119 HA SER 119 119.730 1.641 -6.946 841 HB2 SER 119 HB2 SER 119 118.256 3.369 -7.386 842 HB3 SER 119 HB1 SER 119 119.613 3.921 -8.366 843 HG SER 119 HG SER 119 117.655 3.897 -9.545 844 H1 MET 1 HT1 MET 1 124.086 13.701 -9.019 845 H2 MET 1 HT2 MET 1 124.183 13.859 -10.708 846 H3 MET 1 HT3 MET 1 122.698 14.084 -9.915 847 HA MET 1 HA MET 1 124.941 15.792 -9.130 848 HB2 MET 1 HB2 MET 1 124.992 15.809 -11.606 849 HB3 MET 1 HB1 MET 1 123.272 16.201 -11.631 850 HG2 MET 1 HG2 MET 1 123.649 18.321 -10.578 851 HG3 MET 1 HG1 MET 1 125.321 17.907 -10.200 852 HE1 MET 1 HE1 MET 1 125.637 20.769 -12.803 853 HE2 MET 1 HE2 MET 1 126.203 20.145 -11.255 854 HE3 MET 1 HE3 MET 1 124.500 20.545 -11.466 855 H ALA 2 HN ALA 2 121.616 14.887 -9.394 856 HA ALA 2 HA ALA 2 120.562 17.434 -8.416 857 HB1 ALA 2 HB1 ALA 2 119.086 16.121 -9.780 858 HB2 ALA 2 HB2 ALA 2 118.439 16.066 -8.140 859 HB3 ALA 2 HB3 ALA 2 119.337 14.690 -8.780 860 H SER 3 HN SER 3 119.743 17.807 -6.306 861 HA SER 3 HA SER 3 119.826 15.836 -4.205 862 HB2 SER 3 HB2 SER 3 121.698 16.948 -2.908 863 HB3 SER 3 HB1 SER 3 122.223 16.052 -4.331 864 HG SER 3 HG SER 3 122.235 18.768 -3.811 865 H LYS 4 HN LYS 4 119.077 18.825 -5.502 866 HA LYS 4 HA LYS 4 118.482 20.199 -2.998 867 HB2 LYS 4 HB2 LYS 4 119.100 21.266 -5.283 868 HB3 LYS 4 HB1 LYS 4 117.408 21.005 -5.698 869 HG2 LYS 4 HG2 LYS 4 116.666 22.364 -3.845 870 HG3 LYS 4 HG1 LYS 4 118.306 22.486 -3.209 871 HD2 LYS 4 HD2 LYS 4 117.658 24.535 -4.438 872 HD3 LYS 4 HD1 LYS 4 119.015 23.717 -5.211 873 HE2 LYS 4 HE2 LYS 4 117.696 22.929 -6.985 874 HE3 LYS 4 HE1 LYS 4 116.192 23.111 -6.080 875 HZ1 LYS 4 HZ1 LYS 4 115.968 25.152 -6.863 876 HZ2 LYS 4 HZ2 LYS 4 117.345 24.924 -7.831 877 HZ3 LYS 4 HZ3 LYS 4 117.496 25.603 -6.281 878 HA PRO 5 HA PRO 5 114.001 19.056 -4.442 879 HB2 PRO 5 HB2 PRO 5 114.127 16.314 -5.421 880 HB3 PRO 5 HB1 PRO 5 113.532 17.751 -6.265 881 HG2 PRO 5 HG2 PRO 5 115.929 16.342 -6.854 882 HG3 PRO 5 HG1 PRO 5 115.462 17.924 -7.495 883 HD2 PRO 5 HD2 PRO 5 117.464 17.282 -5.436 884 HD3 PRO 5 HD1 PRO 5 117.254 18.795 -6.343 885 H GLU 6 HN GLU 6 112.652 16.817 -3.659 886 HA GLU 6 HA GLU 6 113.505 16.519 -0.888 887 HB2 GLU 6 HB2 GLU 6 111.477 15.067 -0.706 888 HB3 GLU 6 HB1 GLU 6 111.124 16.651 -1.398 889 HG2 GLU 6 HG2 GLU 6 111.243 15.684 -3.670 890 HG3 GLU 6 HG1 GLU 6 111.574 14.098 -2.972 891 H LYS 7 HN LYS 7 115.369 15.448 -2.845 892 HA LYS 7 HA LYS 7 116.558 13.474 -3.343 893 HB2 LYS 7 HB2 LYS 7 115.664 12.864 -0.508 894 HB3 LYS 7 HB1 LYS 7 117.007 12.092 -1.353 895 HG2 LYS 7 HG2 LYS 7 118.154 14.251 -1.550 896 HG3 LYS 7 HG1 LYS 7 116.798 15.060 -0.764 897 HD2 LYS 7 HD2 LYS 7 117.171 13.545 1.229 898 HD3 LYS 7 HD1 LYS 7 118.661 13.005 0.453 899 HE2 LYS 7 HE2 LYS 7 119.452 15.359 0.379 900 HE3 LYS 7 HE1 LYS 7 117.984 15.861 1.217 901 HZ1 LYS 7 HZ1 LYS 7 118.599 14.706 3.133 902 HZ2 LYS 7 HZ2 LYS 7 120.037 15.453 2.621 903 HZ3 LYS 7 HZ3 LYS 7 119.785 13.798 2.330 904 H ARG 8 HN ARG 8 115.095 11.254 -1.295 905 HA ARG 8 HA ARG 8 113.753 9.949 -3.592 906 HB2 ARG 8 HB2 ARG 8 113.947 8.833 -0.788 907 HB3 ARG 8 HB1 ARG 8 113.846 7.960 -2.319 908 HG2 ARG 8 HG2 ARG 8 116.092 9.106 -2.877 909 HG3 ARG 8 HG1 ARG 8 116.204 9.444 -1.157 910 HD2 ARG 8 HD2 ARG 8 115.739 6.924 -0.844 911 HD3 ARG 8 HD1 ARG 8 116.132 6.759 -2.546 912 HE ARG 8 HE ARG 8 117.998 6.998 -0.391 913 HH11 ARG 8 HH21 ARG 8 117.425 8.265 -3.554 914 HH12 ARG 8 HH22 ARG 8 119.040 8.854 -3.742 915 HH21 ARG 8 HH11 ARG 8 120.099 7.739 -0.641 916 HH22 ARG 8 HH12 ARG 8 120.552 8.551 -2.102 917 H VAL 9 HN VAL 9 111.555 8.908 -3.073 918 HA VAL 9 HA VAL 9 109.617 10.849 -2.514 919 HB VAL 9 HB VAL 9 109.630 7.847 -2.388 920 HG11 VAL 9 HG11 VAL 9 107.099 7.994 -2.037 921 HG12 VAL 9 HG12 VAL 9 107.372 9.643 -1.478 922 HG13 VAL 9 HG13 VAL 9 108.090 8.287 -0.608 923 HG21 VAL 9 HG21 VAL 9 108.011 8.113 -4.229 924 HG22 VAL 9 HG22 VAL 9 109.504 8.991 -4.563 925 HG23 VAL 9 HG23 VAL 9 108.070 9.864 -4.022 926 H ALA 10 HN ALA 10 108.225 11.081 -0.599 927 HA ALA 10 HA ALA 10 109.732 10.635 1.965 928 HB1 ALA 10 HB1 ALA 10 108.740 12.682 2.789 929 HB2 ALA 10 HB2 ALA 10 107.725 12.823 1.354 930 HB3 ALA 10 HB3 ALA 10 109.471 13.029 1.222 931 H SER 11 HN SER 11 108.490 10.027 3.801 932 HA SER 11 HA SER 11 105.607 9.500 3.447 933 HB2 SER 11 HB2 SER 11 107.652 7.302 3.820 934 HB3 SER 11 HB1 SER 11 105.928 7.085 4.122 935 HG SER 11 HG SER 11 105.661 7.916 1.915 936 H SER 12 HN SER 12 104.536 9.525 5.405 937 HA SER 12 HA SER 12 106.083 9.261 7.920 938 HB2 SER 12 HB2 SER 12 105.507 11.413 8.757 939 HB3 SER 12 HB1 SER 12 106.097 11.702 7.122 940 HG SER 12 HG SER 12 104.186 12.781 7.280 941 H VAL 13 HN VAL 13 104.884 7.765 8.965 942 HA VAL 13 HA VAL 13 102.046 8.290 9.487 943 HB VAL 13 HB VAL 13 101.810 7.055 7.436 944 HG11 VAL 13 HG11 VAL 13 102.899 4.730 7.305 945 HG12 VAL 13 HG12 VAL 13 103.913 5.258 8.648 946 HG13 VAL 13 HG13 VAL 13 103.968 6.119 7.110 947 HG21 VAL 13 HG21 VAL 13 101.533 4.937 9.572 948 HG22 VAL 13 HG22 VAL 13 100.515 5.204 8.158 949 HG23 VAL 13 HG23 VAL 13 100.457 6.333 9.509 950 H PHE 14 HN PHE 14 101.218 6.578 11.096 951 HA PHE 14 HA PHE 14 103.077 4.860 12.431 952 HB2 PHE 14 HB2 PHE 14 103.574 6.091 14.386 953 HB3 PHE 14 HB1 PHE 14 104.044 7.092 13.044 954 HD1 PHE 14 HD2 PHE 14 102.105 8.690 12.127 955 HD2 PHE 14 HD1 PHE 14 102.327 7.086 16.106 956 HE1 PHE 14 HE2 PHE 14 100.642 10.511 12.945 957 HE2 PHE 14 HE1 PHE 14 100.866 8.912 16.923 958 HZ PHE 14 HZ PHE 14 100.020 10.625 15.342 959 H ILE 15 HN ILE 15 102.248 4.890 15.013 960 HA ILE 15 HA ILE 15 99.286 4.805 15.040 961 HB ILE 15 HB ILE 15 99.518 2.544 16.206 962 HG12 ILE 15 HG12 ILE 15 102.165 2.953 16.231 963 HG13 ILE 15 HG11 ILE 15 101.492 1.332 16.139 964 HG21 ILE 15 HG21 ILE 15 98.503 2.616 14.057 965 HG22 ILE 15 HG22 ILE 15 99.707 1.330 13.976 966 HG23 ILE 15 HG23 ILE 15 100.050 2.904 13.258 967 HD11 ILE 15 HD11 ILE 15 102.069 2.833 13.594 968 HD12 ILE 15 HD12 ILE 15 102.014 1.097 13.875 969 HD13 ILE 15 HD13 ILE 15 103.380 2.042 14.463 970 H THR 16 HN THR 16 98.450 5.107 17.145 971 HA THR 16 HA THR 16 100.466 5.814 19.261 972 HB THR 16 HB THR 16 97.613 6.804 18.972 973 HG1 THR 16 HG1 THR 16 99.621 7.435 17.507 974 HG21 THR 16 HG21 THR 16 98.347 6.902 21.259 975 HG22 THR 16 HG22 THR 16 98.473 8.534 20.603 976 HG23 THR 16 HG23 THR 16 99.920 7.543 20.785 977 H LEU 17 HN LEU 17 100.429 4.561 21.073 978 HA LEU 17 HA LEU 17 98.199 2.604 21.392 979 HB2 LEU 17 HB2 LEU 17 100.772 2.735 22.980 980 HB3 LEU 17 HB1 LEU 17 99.678 1.365 22.805 981 HG LEU 17 HG LEU 17 101.447 2.578 20.664 982 HD11 LEU 17 HD11 LEU 17 102.614 0.512 20.722 983 HD12 LEU 17 HD12 LEU 17 101.326 -0.287 21.624 984 HD13 LEU 17 HD13 LEU 17 102.347 0.910 22.419 985 HD21 LEU 17 HD21 LEU 17 99.452 2.028 19.501 986 HD22 LEU 17 HD22 LEU 17 99.165 0.599 20.495 987 HD23 LEU 17 HD23 LEU 17 100.466 0.599 19.304 988 H ALA 18 HN ALA 18 96.910 2.580 23.237 989 HA ALA 18 HA ALA 18 97.484 4.112 25.612 990 HB1 ALA 18 HB1 ALA 18 96.937 5.969 24.029 991 HB2 ALA 18 HB2 ALA 18 95.808 5.863 25.379 992 HB3 ALA 18 HB3 ALA 18 95.344 5.251 23.791 993 HA PRO 19 HA PRO 19 94.199 0.782 25.628 994 HB2 PRO 19 HB2 PRO 19 95.550 -0.558 27.786 995 HB3 PRO 19 HB1 PRO 19 95.407 -1.102 26.110 996 HG2 PRO 19 HG2 PRO 19 97.765 -0.040 27.449 997 HG3 PRO 19 HG1 PRO 19 97.643 -0.694 25.811 998 HD2 PRO 19 HD2 PRO 19 97.920 2.073 26.578 999 HD3 PRO 19 HD1 PRO 19 97.756 1.420 24.936 1000 HA PRO 20 HA PRO 20 92.393 3.064 29.057 1001 HB2 PRO 20 HB2 PRO 20 90.404 1.113 29.710 1002 HB3 PRO 20 HB1 PRO 20 90.203 2.516 28.651 1003 HG2 PRO 20 HG2 PRO 20 90.452 -0.322 27.907 1004 HG3 PRO 20 HG1 PRO 20 89.936 1.045 26.907 1005 HD2 PRO 20 HD2 PRO 20 92.438 -0.300 26.741 1006 HD3 PRO 20 HD1 PRO 20 92.010 1.237 25.958 1007 H ARG 21 HN ARG 21 93.069 -0.405 29.387 1008 HA ARG 21 HA ARG 21 92.988 -0.652 32.196 1009 HB2 ARG 21 HB2 ARG 21 94.915 -1.995 30.277 1010 HB3 ARG 21 HB1 ARG 21 94.524 -2.551 31.904 1011 HG2 ARG 21 HG2 ARG 21 92.261 -3.029 31.300 1012 HG3 ARG 21 HG1 ARG 21 92.415 -2.165 29.770 1013 HD2 ARG 21 HD2 ARG 21 92.538 -4.582 29.378 1014 HD3 ARG 21 HD1 ARG 21 94.094 -3.834 29.019 1015 HE ARG 21 HE ARG 21 94.335 -4.597 31.667 1016 HH11 ARG 21 HH21 ARG 21 93.421 -6.115 28.709 1017 HH12 ARG 21 HH22 ARG 21 94.021 -7.673 29.169 1018 HH21 ARG 21 HH11 ARG 21 95.124 -6.623 32.284 1019 HH22 ARG 21 HH12 ARG 21 94.987 -7.960 31.191 1020 H ARG 22 HN ARG 22 95.524 -1.407 33.059 1021 HA ARG 22 HA ARG 22 97.397 -0.459 34.088 1022 HB2 ARG 22 HB2 ARG 22 97.827 -0.342 31.437 1023 HB3 ARG 22 HB1 ARG 22 97.792 1.389 31.747 1024 HG2 ARG 22 HG2 ARG 22 99.550 -0.557 33.284 1025 HG3 ARG 22 HG1 ARG 22 100.091 0.347 31.873 1026 HD2 ARG 22 HD2 ARG 22 99.088 1.530 34.478 1027 HD3 ARG 22 HD1 ARG 22 100.747 1.549 33.887 1028 HE ARG 22 HE ARG 22 99.308 2.778 31.861 1029 HH11 ARG 22 HH21 ARG 22 99.671 3.164 35.267 1030 HH12 ARG 22 HH22 ARG 22 99.410 4.876 35.234 1031 HH21 ARG 22 HH11 ARG 22 98.969 5.010 31.797 1032 HH22 ARG 22 HH12 ARG 22 99.014 5.922 33.269 1033 H ASP 23 HN ASP 23 96.331 0.659 35.763 1034 HA ASP 23 HA ASP 23 96.438 3.584 35.555 1035 HB2 ASP 23 HB2 ASP 23 93.803 2.245 36.232 1036 HB3 ASP 23 HB1 ASP 23 94.111 3.977 36.110 1037 H VAL 24 HN VAL 24 96.400 0.657 37.308 1038 HA VAL 24 HA VAL 24 95.891 1.737 39.945 1039 HB VAL 24 HB VAL 24 97.503 -0.738 39.274 1040 HG11 VAL 24 HG11 VAL 24 95.815 0.103 41.650 1041 HG12 VAL 24 HG12 VAL 24 97.566 -0.103 41.623 1042 HG13 VAL 24 HG13 VAL 24 96.511 -1.505 41.445 1043 HG21 VAL 24 HG21 VAL 24 95.411 -0.842 38.027 1044 HG22 VAL 24 HG22 VAL 24 94.498 -0.354 39.455 1045 HG23 VAL 24 HG23 VAL 24 95.299 -1.925 39.415 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 116.191 8.707 47.584 2 H2 GLY 1 HT2 GLY 1 117.779 9.267 47.365 3 H3 GLY 1 HT3 GLY 1 117.458 8.045 48.499 4 HA2 GLY 1 HA2 GLY 1 116.363 7.069 46.083 5 HA3 GLY 1 HA1 GLY 1 118.011 7.697 45.798 6 H ILE 2 HN ILE 2 117.577 5.069 45.441 7 HA ILE 2 HA ILE 2 120.338 4.546 45.861 8 HB ILE 2 HB ILE 2 119.757 4.437 48.227 9 HG12 ILE 2 HG12 ILE 2 119.841 1.502 47.601 10 HG13 ILE 2 HG11 ILE 2 121.146 2.493 46.952 11 HG21 ILE 2 HG21 ILE 2 117.556 2.579 47.303 12 HG22 ILE 2 HG22 ILE 2 117.395 4.111 48.155 13 HG23 ILE 2 HG23 ILE 2 118.064 2.709 48.986 14 HD11 ILE 2 HD11 ILE 2 120.319 2.657 49.852 15 HD12 ILE 2 HD12 ILE 2 121.825 3.201 49.112 16 HD13 ILE 2 HD13 ILE 2 121.501 1.477 49.287 17 HA PRO 3 HA PRO 3 117.432 1.911 43.136 18 HB2 PRO 3 HB2 PRO 3 118.946 2.703 40.827 19 HB3 PRO 3 HB1 PRO 3 117.283 3.158 41.215 20 HG2 PRO 3 HG2 PRO 3 119.715 4.801 41.399 21 HG3 PRO 3 HG1 PRO 3 118.023 5.312 41.487 22 HD2 PRO 3 HD2 PRO 3 119.828 5.191 43.668 23 HD3 PRO 3 HD1 PRO 3 118.063 5.366 43.762 24 H GLU 4 HN GLU 4 120.606 2.454 41.710 25 HA GLU 4 HA GLU 4 122.440 0.949 41.491 26 HB2 GLU 4 HB2 GLU 4 121.380 -0.636 43.852 27 HB3 GLU 4 HB1 GLU 4 123.044 -0.450 43.315 28 HG2 GLU 4 HG2 GLU 4 121.314 1.644 44.657 29 HG3 GLU 4 HG1 GLU 4 122.788 0.908 45.280 30 H PHE 5 HN PHE 5 119.375 0.542 41.159 31 HA PHE 5 HA PHE 5 119.388 -2.163 39.927 32 HB2 PHE 5 HB2 PHE 5 117.391 -0.502 41.487 33 HB3 PHE 5 HB1 PHE 5 116.757 -1.470 40.137 34 HD1 PHE 5 HD1 PHE 5 117.519 -3.979 40.050 35 HD2 PHE 5 HD2 PHE 5 117.699 -1.532 43.576 36 HE1 PHE 5 HE1 PHE 5 117.587 -6.016 41.460 37 HE2 PHE 5 HE2 PHE 5 117.767 -3.571 44.987 38 HZ PHE 5 HZ PHE 5 117.711 -5.813 43.928 39 H PHE 6 HN PHE 6 120.288 0.646 39.369 40 HA PHE 6 HA PHE 6 120.241 2.288 37.791 41 HB2 PHE 6 HB2 PHE 6 119.954 1.479 35.424 42 HB3 PHE 6 HB1 PHE 6 121.150 0.588 36.357 43 HD1 PHE 6 HD1 PHE 6 120.697 -1.696 37.152 44 HD2 PHE 6 HD2 PHE 6 117.859 0.439 34.734 45 HE1 PHE 6 HE1 PHE 6 119.497 -3.815 36.688 46 HE2 PHE 6 HE2 PHE 6 116.656 -1.679 34.277 47 HZ PHE 6 HZ PHE 6 117.475 -3.806 35.252 48 H GLN 7 HN GLN 7 118.482 2.268 35.434 49 HA GLN 7 HA GLN 7 116.306 2.899 34.790 50 HB2 GLN 7 HB2 GLN 7 115.423 2.670 37.698 51 HB3 GLN 7 HB1 GLN 7 114.411 2.808 36.276 52 HG2 GLN 7 HG2 GLN 7 114.914 0.619 35.536 53 HG3 GLN 7 HG1 GLN 7 116.290 0.472 36.621 54 HE21 GLN 7 HE21 GLN 7 113.712 -1.169 36.412 55 HE22 GLN 7 HE22 GLN 7 113.083 -1.163 37.988 56 H PHE 8 HN PHE 8 118.433 4.044 37.017 57 HA PHE 8 HA PHE 8 117.706 6.815 36.421 58 HB2 PHE 8 HB2 PHE 8 116.553 6.094 38.633 59 HB3 PHE 8 HB1 PHE 8 118.181 6.077 39.305 60 HD1 PHE 8 HD1 PHE 8 115.618 8.218 37.681 61 HD2 PHE 8 HD2 PHE 8 119.354 8.107 39.799 62 HE1 PHE 8 HE1 PHE 8 115.524 10.679 37.977 63 HE2 PHE 8 HE2 PHE 8 119.260 10.568 40.095 64 HZ PHE 8 HZ PHE 8 117.344 11.854 39.184 65 H THR 9 HN THR 9 119.835 4.496 37.894 66 HA THR 9 HA THR 9 122.162 6.332 37.605 67 HB THR 9 HB THR 9 122.054 3.486 38.663 68 HG1 THR 9 HG1 THR 9 121.824 5.988 39.960 69 HG21 THR 9 HG21 THR 9 124.140 5.666 38.657 70 HG22 THR 9 HG22 THR 9 124.298 3.991 38.126 71 HG23 THR 9 HG23 THR 9 124.179 4.363 39.845 72 H VAL 10 HN VAL 10 120.296 4.503 35.769 73 HA VAL 10 HA VAL 10 121.733 2.593 34.400 74 HB VAL 10 HB VAL 10 119.369 3.248 33.957 75 HG11 VAL 10 HG11 VAL 10 120.505 5.440 32.217 76 HG12 VAL 10 HG12 VAL 10 119.960 5.732 33.867 77 HG13 VAL 10 HG13 VAL 10 118.822 5.154 32.650 78 HG21 VAL 10 HG21 VAL 10 121.346 2.937 31.699 79 HG22 VAL 10 HG22 VAL 10 119.627 3.113 31.356 80 HG23 VAL 10 HG23 VAL 10 120.197 1.765 32.338 81 H GLY 11 HN GLY 11 121.826 6.092 33.843 82 HA2 GLY 11 HA2 GLY 11 124.241 6.926 33.486 83 HA3 GLY 11 HA1 GLY 11 124.316 5.741 32.188 84 HA PRO 12 HA PRO 12 122.561 8.673 29.364 85 HB2 PRO 12 HB2 PRO 12 120.691 7.055 28.017 86 HB3 PRO 12 HB1 PRO 12 122.416 7.146 27.639 87 HG2 PRO 12 HG2 PRO 12 120.930 5.034 29.127 88 HG3 PRO 12 HG1 PRO 12 122.411 4.896 28.171 89 HD2 PRO 12 HD2 PRO 12 122.344 4.890 30.946 90 HD3 PRO 12 HD1 PRO 12 123.764 5.338 29.984 91 H LEU 13 HN LEU 13 121.440 8.580 31.966 92 HA LEU 13 HA LEU 13 119.442 8.835 33.224 93 HB2 LEU 13 HB2 LEU 13 118.361 11.052 32.462 94 HB3 LEU 13 HB1 LEU 13 120.044 11.086 32.969 95 HG LEU 13 HG LEU 13 119.472 10.635 30.051 96 HD11 LEU 13 HD11 LEU 13 117.993 12.496 30.542 97 HD12 LEU 13 HD12 LEU 13 119.418 13.106 29.700 98 HD13 LEU 13 HD13 LEU 13 119.269 13.313 31.445 99 HD21 LEU 13 HD21 LEU 13 121.801 10.603 30.837 100 HD22 LEU 13 HD22 LEU 13 121.584 12.179 31.592 101 HD23 LEU 13 HD23 LEU 13 121.532 12.027 29.837 102 H GLY 14 HN GLY 14 118.867 6.801 31.504 103 HA2 GLY 14 HA2 GLY 14 116.972 5.670 30.693 104 HA3 GLY 14 HA1 GLY 14 115.998 7.028 31.258 105 H GLU 15 HN GLU 15 117.364 9.063 29.734 106 HA GLU 15 HA GLU 15 117.036 10.084 27.634 107 HB2 GLU 15 HB2 GLU 15 118.848 8.272 27.247 108 HB3 GLU 15 HB1 GLU 15 117.561 7.344 26.484 109 HG2 GLU 15 HG2 GLU 15 118.605 8.543 24.706 110 HG3 GLU 15 HG1 GLU 15 117.127 9.439 25.050 111 H GLY 16 HN GLY 16 114.897 8.366 29.045 112 HA2 GLY 16 HA2 GLY 16 112.582 8.211 28.658 113 HA3 GLY 16 HA1 GLY 16 112.847 8.713 26.985 114 H GLY 17 HN GLY 17 111.272 6.880 26.599 115 HA2 GLY 17 HA2 GLY 17 111.616 4.207 27.132 116 HA3 GLY 17 HA1 GLY 17 110.997 4.776 25.585 117 H ALA 18 HN ALA 18 113.763 6.179 25.237 118 HA ALA 18 HA ALA 18 114.921 4.283 23.518 119 HB1 ALA 18 HB1 ALA 18 116.364 6.006 23.138 120 HB2 ALA 18 HB2 ALA 18 117.022 5.872 24.767 121 HB3 ALA 18 HB3 ALA 18 115.600 6.868 24.472 122 H HIS 19 HN HIS 19 114.691 4.098 26.878 123 HA HIS 19 HA HIS 19 117.066 2.304 27.115 124 HB2 HIS 19 HB2 HIS 19 116.922 4.043 28.816 125 HB3 HIS 19 HB1 HIS 19 115.274 3.559 29.216 126 HD1 HIS 19 HD1 HIS 19 118.316 1.329 28.678 127 HD2 HIS 19 HD2 HIS 19 115.607 2.331 31.683 128 HE1 HIS 19 HE1 HIS 19 118.824 -0.194 30.636 129 H LYS 20 HN LYS 20 113.764 2.086 26.481 130 HA LYS 20 HA LYS 20 113.740 -0.757 27.426 131 HB2 LYS 20 HB2 LYS 20 111.516 -0.549 28.283 132 HB3 LYS 20 HB1 LYS 20 112.461 0.754 28.991 133 HG2 LYS 20 HG2 LYS 20 110.793 2.148 28.267 134 HG3 LYS 20 HG1 LYS 20 111.484 1.946 26.667 135 HD2 LYS 20 HD2 LYS 20 109.980 0.018 26.260 136 HD3 LYS 20 HD1 LYS 20 109.293 0.228 27.867 137 HE2 LYS 20 HE2 LYS 20 107.769 1.357 26.474 138 HE3 LYS 20 HE1 LYS 20 108.783 2.650 27.098 139 HZ1 LYS 20 HZ1 LYS 20 108.308 2.186 24.490 140 HZ2 LYS 20 HZ2 LYS 20 109.808 1.419 24.711 141 HZ3 LYS 20 HZ3 LYS 20 109.628 3.064 25.093 142 H VAL 21 HN VAL 21 113.546 1.268 24.826 143 HA VAL 21 HA VAL 21 111.418 -0.223 23.407 144 HB VAL 21 HB VAL 21 113.235 2.063 22.596 145 HG11 VAL 21 HG11 VAL 21 112.888 0.828 20.578 146 HG12 VAL 21 HG12 VAL 21 111.689 2.122 20.553 147 HG13 VAL 21 HG13 VAL 21 111.209 0.483 20.995 148 HG21 VAL 21 HG21 VAL 21 111.344 2.543 24.152 149 HG22 VAL 21 HG22 VAL 21 110.232 1.870 22.960 150 HG23 VAL 21 HG23 VAL 21 111.146 3.327 22.586 151 H ARG 22 HN ARG 22 111.928 -2.165 22.628 152 HA ARG 22 HA ARG 22 114.692 -2.666 21.591 153 HB2 ARG 22 HB2 ARG 22 114.057 -4.172 23.388 154 HB3 ARG 22 HB1 ARG 22 112.539 -4.545 22.578 155 HG2 ARG 22 HG2 ARG 22 114.264 -6.329 22.255 156 HG3 ARG 22 HG1 ARG 22 113.752 -5.621 20.726 157 HD2 ARG 22 HD2 ARG 22 115.757 -4.423 20.470 158 HD3 ARG 22 HD1 ARG 22 116.145 -4.512 22.188 159 HE ARG 22 HE ARG 22 116.161 -7.158 21.364 160 HH11 ARG 22 HH21 ARG 22 117.642 -4.214 20.352 161 HH12 ARG 22 HH22 ARG 22 119.078 -4.983 19.766 162 HH21 ARG 22 HH11 ARG 22 118.027 -8.179 20.603 163 HH22 ARG 22 HH12 ARG 22 119.297 -7.228 19.908 164 H ALA 23 HN ALA 23 114.935 -3.177 19.458 165 HA ALA 23 HA ALA 23 112.551 -3.943 17.850 166 HB1 ALA 23 HB1 ALA 23 112.834 -1.440 17.712 167 HB2 ALA 23 HB2 ALA 23 113.009 -2.260 16.160 168 HB3 ALA 23 HB3 ALA 23 114.439 -1.710 17.033 169 H GLY 24 HN GLY 24 113.211 -5.837 16.967 170 HA2 GLY 24 HA2 GLY 24 115.778 -5.923 15.504 171 HA3 GLY 24 HA1 GLY 24 115.611 -7.056 16.848 172 H GLY 25 HN GLY 25 115.492 -7.103 13.658 173 HA2 GLY 25 HA2 GLY 25 113.963 -9.509 13.484 174 HA3 GLY 25 HA1 GLY 25 112.972 -8.167 12.915 175 H THR 26 HN THR 26 113.643 -10.140 11.123 176 HA THR 26 HA THR 26 116.045 -9.411 9.636 177 HB THR 26 HB THR 26 115.488 -11.690 9.479 178 HG1 THR 26 HG1 THR 26 114.389 -10.489 7.163 179 HG21 THR 26 HG21 THR 26 112.680 -10.702 8.995 180 HG22 THR 26 HG22 THR 26 113.258 -11.754 10.288 181 HG23 THR 26 HG23 THR 26 113.158 -12.361 8.635 182 H GLY 27 HN GLY 27 112.644 -8.616 9.539 183 HA2 GLY 27 HA2 GLY 27 112.572 -7.600 6.856 184 HA3 GLY 27 HA1 GLY 27 111.478 -7.121 8.157 185 H LEU 28 HN LEU 28 114.451 -6.738 9.402 186 HA LEU 28 HA LEU 28 114.570 -3.832 8.662 187 HB2 LEU 28 HB2 LEU 28 115.429 -5.386 11.112 188 HB3 LEU 28 HB1 LEU 28 115.960 -3.736 10.817 189 HG LEU 28 HG LEU 28 113.049 -4.556 10.855 190 HD11 LEU 28 HD11 LEU 28 113.084 -3.418 13.143 191 HD12 LEU 28 HD12 LEU 28 114.841 -3.553 13.073 192 HD13 LEU 28 HD13 LEU 28 113.844 -5.008 13.058 193 HD21 LEU 28 HD21 LEU 28 112.983 -1.961 11.469 194 HD22 LEU 28 HD22 LEU 28 113.082 -2.482 9.792 195 HD23 LEU 28 HD23 LEU 28 114.535 -1.947 10.633 196 H GLU 29 HN GLU 29 116.079 -6.819 8.253 197 HA GLU 29 HA GLU 29 118.816 -5.772 8.035 198 HB2 GLU 29 HB2 GLU 29 117.634 -8.481 7.368 199 HB3 GLU 29 HB1 GLU 29 119.356 -8.096 7.369 200 HG2 GLU 29 HG2 GLU 29 117.663 -7.567 9.816 201 HG3 GLU 29 HG1 GLU 29 118.331 -9.165 9.517 202 H ARG 30 HN ARG 30 116.468 -7.285 5.770 203 HA ARG 30 HA ARG 30 117.301 -5.409 3.661 204 HB2 ARG 30 HB2 ARG 30 117.861 -8.384 3.464 205 HB3 ARG 30 HB1 ARG 30 117.858 -7.299 2.075 206 HG2 ARG 30 HG2 ARG 30 119.562 -5.885 3.372 207 HG3 ARG 30 HG1 ARG 30 119.718 -7.265 4.457 208 HD2 ARG 30 HD2 ARG 30 119.952 -8.451 1.953 209 HD3 ARG 30 HD1 ARG 30 120.779 -6.914 1.721 210 HE ARG 30 HE ARG 30 121.899 -9.132 3.019 211 HH11 ARG 30 HH21 ARG 30 121.226 -5.832 3.793 212 HH12 ARG 30 HH22 ARG 30 122.441 -5.743 5.019 213 HH21 ARG 30 HH11 ARG 30 123.487 -9.017 4.601 214 HH22 ARG 30 HH12 ARG 30 123.722 -7.539 5.473 215 H GLY 31 HN GLY 31 115.934 -5.688 1.683 216 HA2 GLY 31 HA2 GLY 31 113.486 -7.343 2.089 217 HA3 GLY 31 HA1 GLY 31 113.298 -5.611 1.801 218 H VAL 32 HN VAL 32 112.169 -7.222 -0.085 219 HA VAL 32 HA VAL 32 114.034 -6.904 -2.405 220 HB VAL 32 HB VAL 32 112.390 -9.308 -1.642 221 HG11 VAL 32 HG11 VAL 32 113.127 -10.216 -3.916 222 HG12 VAL 32 HG12 VAL 32 113.501 -8.551 -4.353 223 HG13 VAL 32 HG13 VAL 32 111.848 -9.006 -3.959 224 HG21 VAL 32 HG21 VAL 32 115.244 -9.174 -2.611 225 HG22 VAL 32 HG22 VAL 32 114.451 -10.481 -1.737 226 HG23 VAL 32 HG23 VAL 32 114.824 -8.970 -0.911 227 H ALA 33 HN ALA 33 113.051 -6.443 -4.384 228 HA ALA 33 HA ALA 33 111.047 -4.613 -4.541 229 HB1 ALA 33 HB1 ALA 33 112.517 -5.734 -6.398 230 HB2 ALA 33 HB2 ALA 33 110.992 -4.973 -6.840 231 HB3 ALA 33 HB3 ALA 33 111.090 -6.727 -6.673 232 H GLY 34 HN GLY 34 109.068 -4.593 -3.742 233 HA2 GLY 34 HA2 GLY 34 106.892 -5.206 -3.206 234 HA3 GLY 34 HA1 GLY 34 106.932 -6.093 -4.726 235 H VAL 35 HN VAL 35 108.633 -6.595 -1.619 236 HA VAL 35 HA VAL 35 107.391 -9.309 -1.502 237 HB VAL 35 HB VAL 35 110.260 -8.499 -1.065 238 HG11 VAL 35 HG11 VAL 35 108.774 -10.919 -0.018 239 HG12 VAL 35 HG12 VAL 35 109.818 -9.814 0.876 240 HG13 VAL 35 HG13 VAL 35 110.517 -10.940 -0.288 241 HG21 VAL 35 HG21 VAL 35 108.875 -10.668 -2.681 242 HG22 VAL 35 HG22 VAL 35 110.619 -10.451 -2.587 243 HG23 VAL 35 HG23 VAL 35 109.614 -9.204 -3.325 244 HA PRO 36 HA PRO 36 106.202 -7.034 2.300 245 HB2 PRO 36 HB2 PRO 36 104.516 -9.350 2.939 246 HB3 PRO 36 HB1 PRO 36 104.028 -7.681 2.607 247 HG2 PRO 36 HG2 PRO 36 103.665 -9.889 0.868 248 HG3 PRO 36 HG1 PRO 36 103.482 -8.183 0.434 249 HD2 PRO 36 HD2 PRO 36 105.630 -10.039 -0.306 250 HD3 PRO 36 HD1 PRO 36 105.298 -8.417 -0.954 251 H ALA 37 HN ALA 37 106.973 -7.266 4.393 252 HA ALA 37 HA ALA 37 107.975 -9.893 5.319 253 HB1 ALA 37 HB1 ALA 37 110.204 -8.761 5.910 254 HB2 ALA 37 HB2 ALA 37 109.739 -7.494 4.775 255 HB3 ALA 37 HB3 ALA 37 109.954 -9.150 4.208 256 H GLU 38 HN GLU 38 109.315 -9.060 7.591 257 HA GLU 38 HA GLU 38 107.967 -6.888 8.924 258 HB2 GLU 38 HB2 GLU 38 106.485 -8.068 10.374 259 HB3 GLU 38 HB1 GLU 38 106.158 -8.691 8.758 260 HG2 GLU 38 HG2 GLU 38 107.892 -10.529 9.329 261 HG3 GLU 38 HG1 GLU 38 107.696 -10.003 11.004 262 H PHE 39 HN PHE 39 108.506 -6.753 11.212 263 HA PHE 39 HA PHE 39 110.804 -8.447 12.059 264 HB2 PHE 39 HB2 PHE 39 111.689 -6.173 13.103 265 HB3 PHE 39 HB1 PHE 39 112.084 -6.599 11.444 266 HD1 PHE 39 HD2 PHE 39 110.284 -5.808 9.650 267 HD2 PHE 39 HD1 PHE 39 110.845 -4.021 13.503 268 HE1 PHE 39 HE2 PHE 39 109.256 -3.718 8.819 269 HE2 PHE 39 HE1 PHE 39 109.835 -1.915 12.664 270 HZ PHE 39 HZ PHE 39 109.034 -1.767 10.327 271 H SER 40 HN SER 40 111.199 -7.549 14.528 272 HA SER 40 HA SER 40 108.470 -7.574 15.791 273 HB2 SER 40 HB2 SER 40 109.786 -9.712 15.996 274 HB3 SER 40 HB1 SER 40 110.992 -8.815 16.915 275 HG SER 40 HG SER 40 108.259 -8.721 17.606 276 H ILE 41 HN ILE 41 108.143 -6.314 17.600 277 HA ILE 41 HA ILE 41 110.380 -4.666 18.664 278 HB ILE 41 HB ILE 41 107.799 -3.606 17.464 279 HG12 ILE 41 HG12 ILE 41 110.690 -2.769 17.051 280 HG13 ILE 41 HG11 ILE 41 109.840 -3.905 16.004 281 HG21 ILE 41 HG21 ILE 41 109.720 -2.332 19.431 282 HG22 ILE 41 HG22 ILE 41 107.964 -2.443 19.541 283 HG23 ILE 41 HG23 ILE 41 108.704 -1.358 18.370 284 HD11 ILE 41 HD11 ILE 41 109.641 -1.757 14.965 285 HD12 ILE 41 HD12 ILE 41 109.183 -0.992 16.484 286 HD13 ILE 41 HD13 ILE 41 108.071 -2.103 15.687 287 H TRP 42 HN TRP 42 110.275 -4.982 20.861 288 HA TRP 42 HA TRP 42 107.548 -5.288 22.104 289 HB2 TRP 42 HB2 TRP 42 108.368 -6.885 23.612 290 HB3 TRP 42 HB1 TRP 42 109.176 -7.324 22.113 291 HD1 TRP 42 HD1 TRP 42 111.721 -7.467 22.183 292 HE1 TRP 42 HE1 TRP 42 113.549 -6.789 23.871 293 HE3 TRP 42 HE3 TRP 42 108.884 -4.918 25.581 294 HZ2 TRP 42 HZ2 TRP 42 113.776 -5.356 26.337 295 HZ3 TRP 42 HZ3 TRP 42 109.929 -3.910 27.588 296 HH2 TRP 42 HH2 TRP 42 112.369 -4.126 27.971 297 H THR 43 HN THR 43 107.030 -3.714 23.517 298 HA THR 43 HA THR 43 109.159 -2.314 25.028 299 HB THR 43 HB THR 43 109.171 -0.841 23.207 300 HG1 THR 43 HG1 THR 43 106.958 0.146 24.659 301 HG21 THR 43 HG21 THR 43 106.225 -1.473 22.986 302 HG22 THR 43 HG22 THR 43 107.500 -1.821 21.818 303 HG23 THR 43 HG23 THR 43 106.981 -0.157 22.087 304 H ARG 44 HN ARG 44 108.434 -1.952 27.058 305 HA ARG 44 HA ARG 44 105.781 -1.035 27.683 306 HB2 ARG 44 HB2 ARG 44 105.403 -3.507 27.099 307 HB3 ARG 44 HB1 ARG 44 106.323 -3.881 28.555 308 HG2 ARG 44 HG2 ARG 44 104.718 -2.367 29.820 309 HG3 ARG 44 HG1 ARG 44 103.727 -2.338 28.361 310 HD2 ARG 44 HD2 ARG 44 104.463 -4.748 30.038 311 HD3 ARG 44 HD1 ARG 44 102.852 -4.092 29.747 312 HE ARG 44 HE ARG 44 103.783 -4.715 27.211 313 HH11 ARG 44 HH21 ARG 44 103.453 -6.346 30.231 314 HH12 ARG 44 HH22 ARG 44 103.198 -7.902 29.515 315 HH21 ARG 44 HH11 ARG 44 103.451 -6.737 26.259 316 HH22 ARG 44 HH12 ARG 44 103.197 -8.124 27.265 317 H GLU 45 HN GLU 45 107.387 0.407 28.756 318 HA GLU 45 HA GLU 45 107.818 -0.435 31.526 319 HB2 GLU 45 HB2 GLU 45 109.823 -1.271 30.098 320 HB3 GLU 45 HB1 GLU 45 110.278 0.429 30.002 321 HG2 GLU 45 HG2 GLU 45 109.793 -1.063 32.599 322 HG3 GLU 45 HG1 GLU 45 111.385 -0.777 31.897 323 H ALA 46 HN ALA 46 108.928 2.045 29.150 324 HA ALA 46 HA ALA 46 109.156 4.162 30.981 325 HB1 ALA 46 HB1 ALA 46 108.041 4.535 28.200 326 HB2 ALA 46 HB2 ALA 46 109.748 4.217 28.502 327 HB3 ALA 46 HB3 ALA 46 108.999 5.672 29.145 328 H GLY 47 HN GLY 47 106.340 3.345 28.962 329 HA2 GLY 47 HA2 GLY 47 104.221 3.243 30.502 330 HA3 GLY 47 HA1 GLY 47 104.602 4.944 30.779 331 H ALA 48 HN ALA 48 102.321 5.075 29.753 332 HA ALA 48 HA ALA 48 101.804 4.474 27.047 333 HB1 ALA 48 HB1 ALA 48 100.193 5.443 28.793 334 HB2 ALA 48 HB2 ALA 48 100.040 6.080 27.156 335 HB3 ALA 48 HB3 ALA 48 100.874 7.020 28.393 336 H GLY 49 HN GLY 49 102.115 5.672 25.105 337 HA2 GLY 49 HA2 GLY 49 103.411 8.249 25.061 338 HA3 GLY 49 HA1 GLY 49 104.581 6.965 24.755 339 H GLY 50 HN GLY 50 104.626 8.247 22.629 340 HA2 GLY 50 HA2 GLY 50 102.672 7.010 20.723 341 HA3 GLY 50 HA1 GLY 50 103.080 8.721 20.606 342 H LEU 51 HN LEU 51 103.765 5.832 19.246 343 HA LEU 51 HA LEU 51 106.673 6.366 18.822 344 HB2 LEU 51 HB2 LEU 51 105.837 4.033 19.368 345 HB3 LEU 51 HB1 LEU 51 104.986 4.050 17.827 346 HG LEU 51 HG LEU 51 107.341 4.675 16.824 347 HD11 LEU 51 HD11 LEU 51 109.177 3.544 18.132 348 HD12 LEU 51 HD12 LEU 51 108.069 3.443 19.499 349 HD13 LEU 51 HD13 LEU 51 108.564 5.016 18.879 350 HD21 LEU 51 HD21 LEU 51 107.863 2.274 16.575 351 HD22 LEU 51 HD22 LEU 51 106.134 2.566 16.384 352 HD23 LEU 51 HD23 LEU 51 106.754 1.895 17.893 353 H SER 52 HN SER 52 106.701 8.089 17.363 354 HA SER 52 HA SER 52 104.982 8.014 15.042 355 HB2 SER 52 HB2 SER 52 106.643 10.081 14.518 356 HB3 SER 52 HB1 SER 52 105.269 10.235 15.609 357 HG SER 52 HG SER 52 107.356 9.180 16.917 358 H ILE 53 HN ILE 53 105.767 7.611 12.862 359 HA ILE 53 HA ILE 53 108.595 6.681 12.679 360 HB ILE 53 HB ILE 53 106.220 5.246 11.475 361 HG12 ILE 53 HG12 ILE 53 107.998 4.399 13.785 362 HG13 ILE 53 HG11 ILE 53 106.375 5.059 13.979 363 HG21 ILE 53 HG21 ILE 53 107.939 3.502 10.995 364 HG22 ILE 53 HG22 ILE 53 109.179 4.598 11.602 365 HG23 ILE 53 HG23 ILE 53 108.261 5.019 10.158 366 HD11 ILE 53 HD11 ILE 53 106.137 2.676 14.023 367 HD12 ILE 53 HD12 ILE 53 107.165 2.483 12.603 368 HD13 ILE 53 HD13 ILE 53 105.563 3.202 12.440 369 H ALA 54 HN ALA 54 109.574 7.853 11.141 370 HA ALA 54 HA ALA 54 107.952 8.921 8.856 371 HB1 ALA 54 HB1 ALA 54 110.720 9.778 9.751 372 HB2 ALA 54 HB2 ALA 54 109.238 10.545 10.321 373 HB3 ALA 54 HB3 ALA 54 109.661 10.606 8.610 374 H VAL 55 HN VAL 55 108.081 7.419 7.228 375 HA VAL 55 HA VAL 55 110.661 6.001 6.768 376 HB VAL 55 HB VAL 55 108.131 5.541 5.181 377 HG11 VAL 55 HG11 VAL 55 110.272 3.633 6.166 378 HG12 VAL 55 HG12 VAL 55 110.332 4.445 4.601 379 HG13 VAL 55 HG13 VAL 55 109.028 3.312 4.957 380 HG21 VAL 55 HG21 VAL 55 107.418 5.504 7.524 381 HG22 VAL 55 HG22 VAL 55 108.779 4.464 7.947 382 HG23 VAL 55 HG23 VAL 55 107.491 3.853 6.909 383 H GLU 56 HN GLU 56 111.768 6.160 4.802 384 HA GLU 56 HA GLU 56 110.721 8.055 2.761 385 HB2 GLU 56 HB2 GLU 56 112.104 9.558 3.918 386 HB3 GLU 56 HB1 GLU 56 113.277 8.325 4.340 387 HG2 GLU 56 HG2 GLU 56 114.076 8.242 2.021 388 HG3 GLU 56 HG1 GLU 56 112.801 9.331 1.526 389 H GLY 57 HN GLY 57 111.034 7.220 0.759 390 HA2 GLY 57 HA2 GLY 57 113.293 5.679 -0.045 391 HA3 GLY 57 HA1 GLY 57 111.982 4.575 0.372 392 HA PRO 58 HA PRO 58 111.763 6.263 -4.095 393 HB2 PRO 58 HB2 PRO 58 111.412 3.430 -4.824 394 HB3 PRO 58 HB1 PRO 58 112.603 4.601 -5.406 395 HG2 PRO 58 HG2 PRO 58 113.078 2.447 -3.585 396 HG3 PRO 58 HG1 PRO 58 114.220 3.722 -4.034 397 HD2 PRO 58 HD2 PRO 58 112.850 3.378 -1.494 398 HD3 PRO 58 HD1 PRO 58 114.033 4.624 -1.940 399 H SER 59 HN SER 59 110.010 3.953 -2.133 400 HA SER 59 HA SER 59 107.448 5.016 -3.256 401 HB2 SER 59 HB2 SER 59 107.953 2.871 -4.399 402 HB3 SER 59 HB1 SER 59 108.045 2.076 -2.829 403 HG SER 59 HG SER 59 105.909 2.479 -4.285 404 H LYS 60 HN LYS 60 105.635 4.721 -1.803 405 HA LYS 60 HA LYS 60 106.426 4.966 0.990 406 HB2 LYS 60 HB2 LYS 60 103.607 4.718 -0.086 407 HB3 LYS 60 HB1 LYS 60 104.125 5.491 1.412 408 HG2 LYS 60 HG2 LYS 60 105.333 7.207 0.121 409 HG3 LYS 60 HG1 LYS 60 104.835 6.432 -1.383 410 HD2 LYS 60 HD2 LYS 60 102.481 6.836 -0.848 411 HD3 LYS 60 HD1 LYS 60 102.937 7.548 0.701 412 HE2 LYS 60 HE2 LYS 60 102.509 9.317 -0.947 413 HE3 LYS 60 HE1 LYS 60 104.215 9.303 -0.500 414 HZ1 LYS 60 HZ1 LYS 60 103.167 9.106 -3.037 415 HZ2 LYS 60 HZ2 LYS 60 103.717 7.542 -2.668 416 HZ3 LYS 60 HZ3 LYS 60 104.782 8.862 -2.582 417 H ALA 61 HN ALA 61 107.070 3.069 1.932 418 HA ALA 61 HA ALA 61 105.878 0.524 1.239 419 HB1 ALA 61 HB1 ALA 61 108.223 0.754 2.054 420 HB2 ALA 61 HB2 ALA 61 107.287 -0.389 3.018 421 HB3 ALA 61 HB3 ALA 61 107.599 1.235 3.631 422 H GLU 62 HN GLU 62 104.213 -0.559 2.282 423 HA GLU 62 HA GLU 62 102.547 1.005 4.071 424 HB2 GLU 62 HB2 GLU 62 102.276 -1.936 3.412 425 HB3 GLU 62 HB1 GLU 62 101.028 -0.875 4.058 426 HG2 GLU 62 HG2 GLU 62 100.952 0.418 2.033 427 HG3 GLU 62 HG1 GLU 62 102.382 -0.391 1.393 428 H ILE 63 HN ILE 63 101.690 -0.241 6.104 429 HA ILE 63 HA ILE 63 103.889 -1.577 7.574 430 HB ILE 63 HB ILE 63 102.280 0.586 8.943 431 HG12 ILE 63 HG12 ILE 63 103.393 1.594 6.890 432 HG13 ILE 63 HG11 ILE 63 103.902 2.276 8.423 433 HG21 ILE 63 HG21 ILE 63 104.378 0.698 10.324 434 HG22 ILE 63 HG22 ILE 63 105.005 -0.663 9.395 435 HG23 ILE 63 HG23 ILE 63 103.558 -0.861 10.384 436 HD11 ILE 63 HD11 ILE 63 106.039 1.600 8.144 437 HD12 ILE 63 HD12 ILE 63 105.602 1.339 6.459 438 HD13 ILE 63 HD13 ILE 63 105.569 -0.006 7.594 439 H ALA 64 HN ALA 64 103.017 -2.832 9.483 440 HA ALA 64 HA ALA 64 100.045 -3.023 9.565 441 HB1 ALA 64 HB1 ALA 64 101.533 -5.622 9.461 442 HB2 ALA 64 HB2 ALA 64 101.290 -4.762 7.941 443 HB3 ALA 64 HB3 ALA 64 99.900 -5.241 8.915 444 H PHE 65 HN PHE 65 99.481 -4.692 11.413 445 HA PHE 65 HA PHE 65 101.535 -4.717 13.556 446 HB2 PHE 65 HB2 PHE 65 99.989 -3.683 15.176 447 HB3 PHE 65 HB1 PHE 65 100.338 -2.574 13.850 448 HD1 PHE 65 HD1 PHE 65 98.681 -2.328 11.965 449 HD2 PHE 65 HD2 PHE 65 97.774 -4.481 15.570 450 HE1 PHE 65 HE1 PHE 65 96.261 -2.185 11.442 451 HE2 PHE 65 HE2 PHE 65 95.354 -4.337 15.047 452 HZ PHE 65 HZ PHE 65 94.598 -3.190 12.983 453 H GLU 66 HN GLU 66 101.524 -6.799 14.213 454 HA GLU 66 HA GLU 66 98.910 -8.129 14.755 455 HB2 GLU 66 HB2 GLU 66 99.753 -8.799 12.465 456 HB3 GLU 66 HB1 GLU 66 101.170 -9.488 13.258 457 HG2 GLU 66 HG2 GLU 66 99.616 -10.891 14.657 458 HG3 GLU 66 HG1 GLU 66 98.280 -10.304 13.665 459 H ASP 67 HN ASP 67 99.085 -8.513 16.916 460 HA ASP 67 HA ASP 67 101.654 -8.902 18.220 461 HB2 ASP 67 HB2 ASP 67 100.172 -9.483 20.212 462 HB3 ASP 67 HB1 ASP 67 99.930 -7.877 19.527 463 H ARG 68 HN ARG 68 102.763 -10.787 18.124 464 HA ARG 68 HA ARG 68 101.271 -13.332 17.640 465 HB2 ARG 68 HB2 ARG 68 103.141 -12.736 16.095 466 HB3 ARG 68 HB1 ARG 68 104.248 -12.776 17.468 467 HG2 ARG 68 HG2 ARG 68 103.902 -15.108 17.812 468 HG3 ARG 68 HG1 ARG 68 102.492 -15.130 16.753 469 HD2 ARG 68 HD2 ARG 68 104.623 -16.063 15.729 470 HD3 ARG 68 HD1 ARG 68 103.843 -14.782 14.802 471 HE ARG 68 HE ARG 68 105.652 -13.429 16.407 472 HH11 ARG 68 HH21 ARG 68 105.754 -16.080 14.204 473 HH12 ARG 68 HH22 ARG 68 107.380 -15.767 13.696 474 HH21 ARG 68 HH11 ARG 68 107.774 -13.006 15.757 475 HH22 ARG 68 HH12 ARG 68 108.524 -14.026 14.575 476 H LYS 69 HN LYS 69 103.189 -11.631 19.994 477 HA LYS 69 HA LYS 69 103.105 -14.033 21.799 478 HB2 LYS 69 HB2 LYS 69 105.090 -11.757 22.005 479 HB3 LYS 69 HB1 LYS 69 105.166 -13.348 22.764 480 HG2 LYS 69 HG2 LYS 69 105.275 -14.341 20.427 481 HG3 LYS 69 HG1 LYS 69 105.496 -12.697 19.827 482 HD2 LYS 69 HD2 LYS 69 107.532 -12.430 21.095 483 HD3 LYS 69 HD1 LYS 69 107.267 -13.955 21.938 484 HE2 LYS 69 HE2 LYS 69 108.931 -14.169 20.097 485 HE3 LYS 69 HE1 LYS 69 107.520 -15.197 19.850 486 HZ1 LYS 69 HZ1 LYS 69 106.933 -12.733 18.721 487 HZ2 LYS 69 HZ2 LYS 69 107.222 -14.200 17.914 488 HZ3 LYS 69 HZ3 LYS 69 108.502 -13.123 18.211 489 H ASP 70 HN ASP 70 101.694 -11.126 21.199 490 HA ASP 70 HA ASP 70 100.243 -9.838 22.528 491 HB2 ASP 70 HB2 ASP 70 100.210 -12.191 23.839 492 HB3 ASP 70 HB1 ASP 70 101.046 -11.243 25.059 493 H GLY 71 HN GLY 71 103.528 -10.501 23.468 494 HA2 GLY 71 HA2 GLY 71 103.712 -7.865 24.874 495 HA3 GLY 71 HA1 GLY 71 104.827 -9.209 25.094 496 H SER 72 HN SER 72 104.966 -9.772 22.191 497 HA SER 72 HA SER 72 106.917 -7.630 21.508 498 HB2 SER 72 HB2 SER 72 107.832 -9.187 19.936 499 HB3 SER 72 HB1 SER 72 107.497 -10.106 21.401 500 HG SER 72 HG SER 72 106.713 -10.804 19.124 501 H CYS 73 HN CYS 73 106.088 -5.969 20.345 502 HA CYS 73 HA CYS 73 103.660 -6.246 18.764 503 HB2 CYS 73 HB2 CYS 73 104.438 -4.129 19.960 504 HB3 CYS 73 HB1 CYS 73 105.630 -3.950 18.673 505 HG CYS 73 HG CYS 73 103.356 -4.127 17.053 506 H GLY 74 HN GLY 74 103.730 -7.314 16.861 507 HA2 GLY 74 HA2 GLY 74 106.207 -7.345 15.241 508 HA3 GLY 74 HA1 GLY 74 104.773 -8.334 14.961 509 H VAL 75 HN VAL 75 106.478 -5.775 13.761 510 HA VAL 75 HA VAL 75 104.056 -4.476 12.539 511 HB VAL 75 HB VAL 75 105.857 -2.692 11.915 512 HG11 VAL 75 HG11 VAL 75 105.547 -1.583 14.084 513 HG12 VAL 75 HG12 VAL 75 105.065 -3.114 14.814 514 HG13 VAL 75 HG13 VAL 75 104.049 -2.367 13.582 515 HG21 VAL 75 HG21 VAL 75 107.781 -4.149 12.563 516 HG22 VAL 75 HG22 VAL 75 107.226 -4.092 14.236 517 HG23 VAL 75 HG23 VAL 75 107.762 -2.619 13.435 518 H SER 76 HN SER 76 103.613 -5.258 10.588 519 HA SER 76 HA SER 76 105.792 -6.380 8.926 520 HB2 SER 76 HB2 SER 76 103.019 -6.349 7.848 521 HB3 SER 76 HB1 SER 76 104.187 -7.664 7.898 522 HG SER 76 HG SER 76 103.045 -8.341 9.519 523 H TYR 77 HN TYR 77 105.702 -5.738 6.520 524 HA TYR 77 HA TYR 77 104.582 -3.107 5.908 525 HB2 TYR 77 HB2 TYR 77 106.655 -1.883 5.739 526 HB3 TYR 77 HB1 TYR 77 106.657 -2.635 7.331 527 HD1 TYR 77 HD2 TYR 77 107.689 -5.121 7.356 528 HD2 TYR 77 HD1 TYR 77 108.587 -2.098 4.435 529 HE1 TYR 77 HE2 TYR 77 109.798 -6.284 6.796 530 HE2 TYR 77 HE1 TYR 77 110.703 -3.266 3.883 531 HH TYR 77 HH TYR 77 111.516 -6.390 5.354 532 H VAL 78 HN VAL 78 105.351 -2.432 3.609 533 HA VAL 78 HA VAL 78 106.418 -4.749 2.048 534 HB VAL 78 HB VAL 78 103.849 -4.807 2.121 535 HG11 VAL 78 HG11 VAL 78 103.808 -2.219 1.717 536 HG12 VAL 78 HG12 VAL 78 102.599 -3.227 0.928 537 HG13 VAL 78 HG13 VAL 78 103.996 -2.652 0.019 538 HG21 VAL 78 HG21 VAL 78 104.994 -6.115 0.480 539 HG22 VAL 78 HG22 VAL 78 105.437 -4.685 -0.453 540 HG23 VAL 78 HG23 VAL 78 103.757 -5.218 -0.402 541 H VAL 79 HN VAL 79 108.089 -3.948 0.949 542 HA VAL 79 HA VAL 79 108.155 -1.090 0.192 543 HB VAL 79 HB VAL 79 110.476 -1.720 -0.623 544 HG11 VAL 79 HG11 VAL 79 109.539 -2.092 2.225 545 HG12 VAL 79 HG12 VAL 79 110.431 -0.745 1.520 546 HG13 VAL 79 HG13 VAL 79 111.245 -2.278 1.823 547 HG21 VAL 79 HG21 VAL 79 109.878 -4.329 0.805 548 HG22 VAL 79 HG22 VAL 79 111.340 -3.904 -0.081 549 HG23 VAL 79 HG23 VAL 79 109.828 -4.160 -0.949 550 H GLN 80 HN GLN 80 108.435 -0.412 -2.028 551 HA GLN 80 HA GLN 80 107.043 -2.194 -3.926 552 HB2 GLN 80 HB2 GLN 80 106.651 0.361 -3.601 553 HB3 GLN 80 HB1 GLN 80 108.098 0.552 -4.590 554 HG2 GLN 80 HG2 GLN 80 106.979 -1.001 -6.284 555 HG3 GLN 80 HG1 GLN 80 105.497 -0.791 -5.350 556 HE21 GLN 80 HE21 GLN 80 108.077 1.236 -6.869 557 HE22 GLN 80 HE22 GLN 80 107.021 2.476 -7.346 558 H GLU 81 HN GLU 81 110.176 -0.408 -3.876 559 HA GLU 81 HA GLU 81 111.353 -2.596 -5.419 560 HB2 GLU 81 HB2 GLU 81 112.222 -0.333 -6.902 561 HB3 GLU 81 HB1 GLU 81 111.184 -1.640 -7.465 562 HG2 GLU 81 HG2 GLU 81 109.209 -0.474 -6.806 563 HG3 GLU 81 HG1 GLU 81 110.145 0.736 -5.927 564 HA PRO 82 HA PRO 82 115.191 -2.031 -3.401 565 HB2 PRO 82 HB2 PRO 82 116.342 -1.302 -6.059 566 HB3 PRO 82 HB1 PRO 82 116.938 -2.455 -4.850 567 HG2 PRO 82 HG2 PRO 82 115.578 -3.271 -7.079 568 HG3 PRO 82 HG1 PRO 82 115.510 -4.116 -5.541 569 HD2 PRO 82 HD2 PRO 82 113.367 -2.579 -6.827 570 HD3 PRO 82 HD1 PRO 82 113.277 -3.730 -5.491 571 H GLY 83 HN GLY 83 116.824 -0.493 -2.877 572 HA2 GLY 83 HA2 GLY 83 117.467 1.995 -3.599 573 HA3 GLY 83 HA1 GLY 83 115.815 2.303 -3.054 574 H ASP 84 HN ASP 84 117.385 3.693 -1.577 575 HA ASP 84 HA ASP 84 118.288 2.103 0.779 576 HB2 ASP 84 HB2 ASP 84 119.115 4.522 1.450 577 HB3 ASP 84 HB1 ASP 84 120.009 3.596 0.246 578 H TYR 85 HN TYR 85 116.234 1.672 1.660 579 HA TYR 85 HA TYR 85 114.314 3.802 2.118 580 HB2 TYR 85 HB2 TYR 85 114.524 0.884 2.556 581 HB3 TYR 85 HB1 TYR 85 113.551 1.714 3.772 582 HD1 TYR 85 HD2 TYR 85 111.532 2.998 3.082 583 HD2 TYR 85 HD1 TYR 85 113.807 0.671 0.281 584 HE1 TYR 85 HE2 TYR 85 109.649 3.094 1.473 585 HE2 TYR 85 HE1 TYR 85 111.928 0.763 -1.328 586 HH TYR 85 HH TYR 85 109.001 1.284 -0.709 587 H GLU 86 HN GLU 86 114.200 5.091 3.860 588 HA GLU 86 HA GLU 86 116.091 4.591 6.143 589 HB2 GLU 86 HB2 GLU 86 115.272 7.345 6.144 590 HB3 GLU 86 HB1 GLU 86 116.873 6.710 5.791 591 HG2 GLU 86 HG2 GLU 86 114.746 6.764 3.655 592 HG3 GLU 86 HG1 GLU 86 115.696 8.194 3.994 593 H VAL 87 HN VAL 87 115.002 3.920 7.889 594 HA VAL 87 HA VAL 87 112.204 4.913 8.336 595 HB VAL 87 HB VAL 87 112.687 2.400 7.985 596 HG11 VAL 87 HG11 VAL 87 114.708 2.503 9.555 597 HG12 VAL 87 HG12 VAL 87 113.597 1.153 9.786 598 HG13 VAL 87 HG13 VAL 87 113.538 2.541 10.874 599 HG21 VAL 87 HG21 VAL 87 111.242 3.489 10.411 600 HG22 VAL 87 HG22 VAL 87 111.116 1.806 9.900 601 HG23 VAL 87 HG23 VAL 87 110.553 3.095 8.837 602 H SER 88 HN SER 88 111.828 6.073 10.161 603 HA SER 88 HA SER 88 113.981 6.171 12.258 604 HB2 SER 88 HB2 SER 88 112.101 8.455 11.644 605 HB3 SER 88 HB1 SER 88 113.635 8.498 12.509 606 HG SER 88 HG SER 88 113.132 8.206 9.748 607 H ILE 89 HN ILE 89 113.248 5.941 14.386 608 HA ILE 89 HA ILE 89 110.293 6.014 14.864 609 HB ILE 89 HB ILE 89 110.131 3.840 15.692 610 HG12 ILE 89 HG12 ILE 89 113.139 3.937 16.067 611 HG13 ILE 89 HG11 ILE 89 111.916 3.849 17.327 612 HG21 ILE 89 HG21 ILE 89 110.725 3.926 13.223 613 HG22 ILE 89 HG22 ILE 89 111.015 2.379 14.011 614 HG23 ILE 89 HG23 ILE 89 112.364 3.467 13.682 615 HD11 ILE 89 HD11 ILE 89 111.209 1.617 16.327 616 HD12 ILE 89 HD12 ILE 89 112.785 1.637 17.118 617 HD13 ILE 89 HD13 ILE 89 112.680 1.684 15.361 618 H LYS 90 HN LYS 90 109.823 7.016 16.704 619 HA LYS 90 HA LYS 90 111.825 7.106 18.897 620 HB2 LYS 90 HB2 LYS 90 110.977 9.546 19.230 621 HB3 LYS 90 HB1 LYS 90 112.188 9.257 17.990 622 HG2 LYS 90 HG2 LYS 90 109.365 8.931 17.090 623 HG3 LYS 90 HG1 LYS 90 109.823 10.564 17.541 624 HD2 LYS 90 HD2 LYS 90 111.432 10.744 15.852 625 HD3 LYS 90 HD1 LYS 90 111.657 9.001 15.739 626 HE2 LYS 90 HE2 LYS 90 108.919 9.884 15.048 627 HE3 LYS 90 HE1 LYS 90 110.167 10.489 13.960 628 HZ1 LYS 90 HZ1 LYS 90 109.882 8.489 13.013 629 HZ2 LYS 90 HZ2 LYS 90 109.271 7.767 14.425 630 HZ3 LYS 90 HZ3 LYS 90 110.946 7.971 14.228 631 H PHE 91 HN PHE 91 110.835 6.437 20.698 632 HA PHE 91 HA PHE 91 107.897 6.223 20.769 633 HB2 PHE 91 HB2 PHE 91 109.300 4.387 21.666 634 HB3 PHE 91 HB1 PHE 91 109.940 5.488 22.885 635 HD1 PHE 91 HD1 PHE 91 106.716 4.155 21.536 636 HD2 PHE 91 HD2 PHE 91 108.799 5.752 24.936 637 HE1 PHE 91 HE1 PHE 91 104.737 3.706 22.958 638 HE2 PHE 91 HE2 PHE 91 106.818 5.301 26.359 639 HZ PHE 91 HZ PHE 91 104.788 4.277 25.369 640 H ASN 92 HN ASN 92 106.992 8.195 21.040 641 HA ASN 92 HA ASN 92 106.309 10.109 22.175 642 HB2 ASN 92 HB2 ASN 92 106.710 8.472 24.213 643 HB3 ASN 92 HB1 ASN 92 108.137 9.468 24.491 644 HD21 ASN 92 HD21 ASN 92 107.725 11.876 24.745 645 HD22 ASN 92 HD22 ASN 92 106.242 12.378 25.401 646 H ASP 93 HN ASP 93 108.576 10.041 20.385 647 HA ASP 93 HA ASP 93 110.049 11.670 19.581 648 HB2 ASP 93 HB2 ASP 93 110.015 13.159 22.195 649 HB3 ASP 93 HB1 ASP 93 110.229 13.766 20.558 650 H GLU 94 HN GLU 94 110.725 9.329 21.563 651 HA GLU 94 HA GLU 94 113.449 10.317 22.336 652 HB2 GLU 94 HB2 GLU 94 113.616 8.454 23.830 653 HB3 GLU 94 HB1 GLU 94 112.039 9.186 24.090 654 HG2 GLU 94 HG2 GLU 94 111.336 7.004 23.934 655 HG3 GLU 94 HG1 GLU 94 111.345 7.365 22.213 656 H HIS 95 HN HIS 95 114.609 10.207 20.471 657 HA HIS 95 HA HIS 95 114.257 8.100 18.522 658 HB2 HIS 95 HB2 HIS 95 116.479 10.134 18.871 659 HB3 HIS 95 HB1 HIS 95 116.276 9.097 17.460 660 HD1 HIS 95 HD1 HIS 95 115.388 10.570 15.653 661 HD2 HIS 95 HD2 HIS 95 113.487 11.291 19.292 662 HE1 HIS 95 HE1 HIS 95 113.554 12.251 15.182 663 H ILE 96 HN ILE 96 114.860 6.041 18.981 664 HA ILE 96 HA ILE 96 116.830 5.328 20.914 665 HB ILE 96 HB ILE 96 115.064 3.775 20.165 666 HG12 ILE 96 HG12 ILE 96 116.602 1.777 19.468 667 HG13 ILE 96 HG11 ILE 96 117.929 2.902 19.708 668 HG21 ILE 96 HG21 ILE 96 115.134 4.630 17.780 669 HG22 ILE 96 HG22 ILE 96 114.997 2.880 17.942 670 HG23 ILE 96 HG23 ILE 96 116.549 3.608 17.534 671 HD11 ILE 96 HD11 ILE 96 116.054 1.709 21.707 672 HD12 ILE 96 HD12 ILE 96 116.654 3.333 22.029 673 HD13 ILE 96 HD13 ILE 96 117.787 1.999 21.834 674 HA PRO 97 HA PRO 97 120.494 6.454 18.588 675 HB2 PRO 97 HB2 PRO 97 121.942 4.107 19.612 676 HB3 PRO 97 HB1 PRO 97 122.230 5.822 19.945 677 HG2 PRO 97 HG2 PRO 97 121.025 3.911 21.711 678 HG3 PRO 97 HG1 PRO 97 121.183 5.653 21.977 679 HD2 PRO 97 HD2 PRO 97 118.763 4.176 21.432 680 HD3 PRO 97 HD1 PRO 97 118.931 5.927 21.663 681 H ASP 98 HN ASP 98 119.615 5.947 16.531 682 HA ASP 98 HA ASP 98 120.838 3.999 14.945 683 HB2 ASP 98 HB2 ASP 98 118.563 2.944 16.535 684 HB3 ASP 98 HB1 ASP 98 118.464 2.575 14.813 685 H SER 99 HN SER 99 117.520 5.203 15.463 686 HA SER 99 HA SER 99 116.818 5.415 12.781 687 HB2 SER 99 HB2 SER 99 116.020 6.961 15.222 688 HB3 SER 99 HB1 SER 99 115.363 7.407 13.651 689 HG SER 99 HG SER 99 114.727 5.339 15.267 690 HA PRO 100 HA PRO 100 116.205 6.357 11.001 691 HB2 PRO 100 HB2 PRO 100 117.105 7.295 8.556 692 HB3 PRO 100 HB1 PRO 100 115.919 8.137 9.562 693 HG2 PRO 100 HG2 PRO 100 118.721 8.883 9.012 694 HG3 PRO 100 HG1 PRO 100 117.419 9.874 9.689 695 HD2 PRO 100 HD2 PRO 100 119.592 8.580 11.119 696 HD3 PRO 100 HD1 PRO 100 118.303 9.600 11.790 697 H PHE 101 HN PHE 101 116.982 4.093 10.883 698 HA PHE 101 HA PHE 101 119.734 3.648 9.887 699 HB2 PHE 101 HB2 PHE 101 118.621 1.107 9.881 700 HB3 PHE 101 HB1 PHE 101 119.459 1.830 11.246 701 HD1 PHE 101 HD1 PHE 101 117.951 3.460 12.650 702 HD2 PHE 101 HD2 PHE 101 116.487 0.221 10.304 703 HE1 PHE 101 HE1 PHE 101 115.927 3.390 14.071 704 HE2 PHE 101 HE2 PHE 101 114.446 0.127 11.711 705 HZ PHE 101 HZ PHE 101 114.163 1.711 13.590 706 H VAL 102 HN VAL 102 120.205 2.409 7.958 707 HA VAL 102 HA VAL 102 118.328 3.057 5.767 708 HB VAL 102 HB VAL 102 120.744 3.535 5.507 709 HG11 VAL 102 HG11 VAL 102 122.364 1.747 5.397 710 HG12 VAL 102 HG12 VAL 102 121.100 0.527 5.553 711 HG13 VAL 102 HG13 VAL 102 121.483 1.578 6.915 712 HG21 VAL 102 HG21 VAL 102 119.256 2.912 3.553 713 HG22 VAL 102 HG22 VAL 102 119.892 1.273 3.680 714 HG23 VAL 102 HG23 VAL 102 120.974 2.610 3.292 715 H VAL 103 HN VAL 103 117.343 1.494 4.477 716 HA VAL 103 HA VAL 103 117.585 -1.371 5.353 717 HB VAL 103 HB VAL 103 115.096 0.212 4.674 718 HG11 VAL 103 HG11 VAL 103 114.723 -1.907 3.672 719 HG12 VAL 103 HG12 VAL 103 113.998 -2.060 5.270 720 HG13 VAL 103 HG13 VAL 103 115.586 -2.758 4.953 721 HG21 VAL 103 HG21 VAL 103 116.066 -1.219 7.165 722 HG22 VAL 103 HG22 VAL 103 114.442 -0.558 6.973 723 HG23 VAL 103 HG23 VAL 103 115.838 0.519 6.965 724 HA PRO 104 HA PRO 104 118.485 -0.838 0.852 725 HB2 PRO 104 HB2 PRO 104 120.152 -3.208 0.973 726 HB3 PRO 104 HB1 PRO 104 120.657 -1.528 0.745 727 HG2 PRO 104 HG2 PRO 104 121.047 -3.135 3.089 728 HG3 PRO 104 HG1 PRO 104 121.421 -1.414 2.902 729 HD2 PRO 104 HD2 PRO 104 119.212 -2.650 4.376 730 HD3 PRO 104 HD1 PRO 104 119.724 -0.950 4.377 731 H VAL 105 HN VAL 105 116.742 -1.519 -0.286 732 HA VAL 105 HA VAL 105 115.756 -4.316 0.017 733 HB VAL 105 HB VAL 105 114.623 -1.825 -1.290 734 HG11 VAL 105 HG11 VAL 105 113.329 -4.561 -1.142 735 HG12 VAL 105 HG12 VAL 105 114.029 -3.888 -2.610 736 HG13 VAL 105 HG13 VAL 105 112.638 -3.113 -1.863 737 HG21 VAL 105 HG21 VAL 105 114.580 -2.193 1.254 738 HG22 VAL 105 HG22 VAL 105 113.413 -3.470 0.916 739 HG23 VAL 105 HG23 VAL 105 113.056 -1.807 0.457 740 H ALA 106 HN ALA 106 115.886 -5.747 -1.821 741 HA ALA 106 HA ALA 106 117.358 -4.697 -4.227 742 HB1 ALA 106 HB1 ALA 106 118.062 -7.394 -3.159 743 HB2 ALA 106 HB2 ALA 106 118.664 -5.981 -2.296 744 HB3 ALA 106 HB3 ALA 106 119.065 -6.205 -3.995 745 H SER 107 HN SER 107 116.627 -5.456 -6.144 746 HA SER 107 HA SER 107 114.367 -7.361 -6.184 747 HB2 SER 107 HB2 SER 107 114.423 -5.202 -7.572 748 HB3 SER 107 HB1 SER 107 115.665 -5.970 -8.551 749 HG SER 107 HG SER 107 113.149 -6.188 -8.924 750 H LEU 108 HN LEU 108 115.857 -9.066 -5.467 751 HA LEU 108 HA LEU 108 117.071 -11.025 -5.911 752 HB2 LEU 108 HB2 LEU 108 116.938 -10.347 -8.860 753 HB3 LEU 108 HB1 LEU 108 117.090 -11.930 -8.111 754 HG LEU 108 HG LEU 108 114.652 -10.130 -8.078 755 HD11 LEU 108 HD11 LEU 108 114.942 -12.985 -9.033 756 HD12 LEU 108 HD12 LEU 108 115.184 -11.601 -10.099 757 HD13 LEU 108 HD13 LEU 108 113.613 -11.868 -9.345 758 HD21 LEU 108 HD21 LEU 108 114.726 -11.094 -5.898 759 HD22 LEU 108 HD22 LEU 108 115.321 -12.635 -6.517 760 HD23 LEU 108 HD23 LEU 108 113.654 -12.145 -6.823 761 H SER 109 HN SER 109 117.990 -7.950 -6.429 762 HA SER 109 HA SER 109 120.677 -8.430 -7.518 763 HB2 SER 109 HB2 SER 109 119.400 -6.330 -7.975 764 HB3 SER 109 HB1 SER 109 119.542 -5.935 -6.266 765 HG SER 109 HG SER 109 121.501 -6.068 -8.268 766 H ASP 110 HN ASP 110 119.083 -8.296 -4.458 767 HA ASP 110 HA ASP 110 119.909 -8.524 -2.270 768 HB2 ASP 110 HB2 ASP 110 122.458 -9.539 -3.544 769 HB3 ASP 110 HB1 ASP 110 121.775 -9.975 -1.978 770 H ASP 111 HN ASP 111 120.869 -6.359 -4.398 771 HA ASP 111 HA ASP 111 122.197 -4.673 -2.452 772 HB2 ASP 111 HB2 ASP 111 123.764 -5.889 -4.736 773 HB3 ASP 111 HB1 ASP 111 124.224 -4.343 -4.023 774 H ALA 112 HN ALA 112 121.170 -5.310 -5.803 775 HA ALA 112 HA ALA 112 120.527 -3.771 -7.497 776 HB1 ALA 112 HB1 ALA 112 118.561 -3.814 -6.043 777 HB2 ALA 112 HB2 ALA 112 118.799 -2.188 -6.683 778 HB3 ALA 112 HB3 ALA 112 119.268 -2.560 -5.024 779 H ARG 113 HN ARG 113 122.697 -2.879 -7.931 780 HA ARG 113 HA ARG 113 123.761 -0.650 -6.488 781 HB2 ARG 113 HB2 ARG 113 124.273 -1.956 -9.116 782 HB3 ARG 113 HB1 ARG 113 124.745 -0.265 -9.041 783 HG2 ARG 113 HG2 ARG 113 126.660 -1.539 -8.382 784 HG3 ARG 113 HG1 ARG 113 126.015 -0.828 -6.906 785 HD2 ARG 113 HD2 ARG 113 124.955 -2.909 -6.288 786 HD3 ARG 113 HD1 ARG 113 125.331 -3.624 -7.855 787 HE ARG 113 HE ARG 113 127.807 -2.896 -6.802 788 HH11 ARG 113 HH21 ARG 113 125.103 -4.804 -5.834 789 HH12 ARG 113 HH22 ARG 113 126.047 -5.891 -4.872 790 HH21 ARG 113 HH11 ARG 113 129.052 -4.301 -5.549 791 HH22 ARG 113 HH12 ARG 113 128.283 -5.608 -4.712 792 H ARG 114 HN ARG 114 124.137 1.425 -8.237 793 HA ARG 114 HA ARG 114 121.477 2.267 -9.261 794 HB2 ARG 114 HB2 ARG 114 121.626 2.949 -6.838 795 HB3 ARG 114 HB1 ARG 114 123.053 3.902 -7.247 796 HG2 ARG 114 HG2 ARG 114 121.823 5.424 -8.557 797 HG3 ARG 114 HG1 ARG 114 120.473 4.309 -8.760 798 HD2 ARG 114 HD2 ARG 114 119.780 4.604 -6.479 799 HD3 ARG 114 HD1 ARG 114 121.256 5.485 -6.082 800 HE ARG 114 HE ARG 114 120.119 7.002 -8.095 801 HH11 ARG 114 HH21 ARG 114 119.077 5.669 -5.090 802 HH12 ARG 114 HH22 ARG 114 117.953 6.946 -4.761 803 HH21 ARG 114 HH11 ARG 114 118.657 8.673 -7.685 804 HH22 ARG 114 HH12 ARG 114 117.714 8.647 -6.233 805 H LEU 115 HN LEU 115 124.658 1.909 -9.705 806 HA LEU 115 HA LEU 115 124.864 4.203 -11.629 807 HB2 LEU 115 HB2 LEU 115 127.102 3.059 -9.928 808 HB3 LEU 115 HB1 LEU 115 127.264 4.336 -11.131 809 HG LEU 115 HG LEU 115 125.173 5.275 -9.506 810 HD11 LEU 115 HD11 LEU 115 125.796 3.411 -7.896 811 HD12 LEU 115 HD12 LEU 115 125.837 5.040 -7.220 812 HD13 LEU 115 HD13 LEU 115 127.340 4.233 -7.668 813 HD21 LEU 115 HD21 LEU 115 126.802 6.926 -8.730 814 HD22 LEU 115 HD22 LEU 115 127.072 6.577 -10.438 815 HD23 LEU 115 HD23 LEU 115 128.134 5.876 -9.216 816 H THR 116 HN THR 116 125.398 0.844 -10.911 817 HA THR 116 HA THR 116 126.577 0.369 -13.617 818 HB THR 116 HB THR 116 126.429 -1.426 -11.173 819 HG1 THR 116 HG1 THR 116 128.664 -1.100 -11.157 820 HG21 THR 116 HG21 THR 116 126.312 -2.831 -13.099 821 HG22 THR 116 HG22 THR 116 128.002 -2.847 -12.595 822 HG23 THR 116 HG23 THR 116 127.500 -1.858 -13.966 823 H VAL 117 HN VAL 117 124.650 -1.712 -11.522 824 HA VAL 117 HA VAL 117 122.968 -2.637 -13.665 825 HB VAL 117 HB VAL 117 122.630 -2.591 -10.652 826 HG11 VAL 117 HG11 VAL 117 120.846 -4.377 -11.169 827 HG12 VAL 117 HG12 VAL 117 120.868 -3.754 -12.819 828 HG13 VAL 117 HG13 VAL 117 120.400 -2.700 -11.484 829 HG21 VAL 117 HG21 VAL 117 123.155 -4.920 -12.518 830 HG22 VAL 117 HG22 VAL 117 123.265 -4.912 -10.758 831 HG23 VAL 117 HG23 VAL 117 124.442 -4.017 -11.719 832 H THR 118 HN THR 118 123.306 0.249 -12.072 833 HA THR 118 HA THR 118 121.944 2.097 -11.647 834 HB THR 118 HB THR 118 122.645 2.455 -13.906 835 HG1 THR 118 HG1 THR 118 120.614 3.460 -14.711 836 HG21 THR 118 HG21 THR 118 121.171 1.667 -15.810 837 HG22 THR 118 HG22 THR 118 120.345 0.630 -14.653 838 HG23 THR 118 HG23 THR 118 122.060 0.390 -14.985 839 H SER 119 HN SER 119 120.685 0.398 -10.257 840 HA SER 119 HA SER 119 118.581 0.047 -9.307 841 HB2 SER 119 HB2 SER 119 116.841 1.452 -9.904 842 HB3 SER 119 HB1 SER 119 118.163 2.312 -10.692 843 HG SER 119 HG SER 119 116.319 1.872 -12.057 844 H1 MET 1 HT1 MET 1 120.792 16.819 -7.446 845 H2 MET 1 HT2 MET 1 122.074 16.620 -6.349 846 H3 MET 1 HT3 MET 1 121.710 15.393 -7.467 847 HA MET 1 HA MET 1 123.666 17.103 -7.858 848 HB2 MET 1 HB2 MET 1 123.130 16.753 -10.382 849 HB3 MET 1 HB1 MET 1 123.390 15.325 -9.381 850 HG2 MET 1 HG2 MET 1 121.019 14.951 -9.162 851 HG3 MET 1 HG1 MET 1 120.651 16.498 -9.923 852 HE1 MET 1 HE1 MET 1 121.150 16.118 -13.569 853 HE2 MET 1 HE2 MET 1 121.768 17.121 -12.260 854 HE3 MET 1 HE3 MET 1 120.054 16.718 -12.317 855 H ALA 2 HN ALA 2 123.954 19.245 -8.219 856 HA ALA 2 HA ALA 2 123.472 21.487 -8.688 857 HB1 ALA 2 HB1 ALA 2 122.924 20.339 -10.935 858 HB2 ALA 2 HB2 ALA 2 122.234 21.937 -10.655 859 HB3 ALA 2 HB3 ALA 2 121.234 20.499 -10.461 860 H SER 3 HN SER 3 120.165 20.193 -9.043 861 HA SER 3 HA SER 3 119.115 22.230 -7.262 862 HB2 SER 3 HB2 SER 3 117.747 21.351 -9.095 863 HB3 SER 3 HB1 SER 3 117.832 19.731 -8.409 864 HG SER 3 HG SER 3 116.096 20.344 -7.387 865 H LYS 4 HN LYS 4 117.184 20.235 -6.039 866 HA LYS 4 HA LYS 4 118.793 18.567 -4.275 867 HB2 LYS 4 HB2 LYS 4 119.114 20.933 -3.391 868 HB3 LYS 4 HB1 LYS 4 117.393 20.926 -3.003 869 HG2 LYS 4 HG2 LYS 4 117.749 18.859 -1.647 870 HG3 LYS 4 HG1 LYS 4 119.480 18.990 -1.960 871 HD2 LYS 4 HD2 LYS 4 119.463 21.257 -0.925 872 HD3 LYS 4 HD1 LYS 4 117.756 21.038 -0.535 873 HE2 LYS 4 HE2 LYS 4 118.240 19.190 0.922 874 HE3 LYS 4 HE1 LYS 4 119.914 19.118 0.371 875 HZ1 LYS 4 HZ1 LYS 4 118.628 21.043 2.168 876 HZ2 LYS 4 HZ2 LYS 4 119.916 21.580 1.198 877 HZ3 LYS 4 HZ3 LYS 4 120.148 20.300 2.291 878 HA PRO 5 HA PRO 5 114.245 17.621 -4.929 879 HB2 PRO 5 HB2 PRO 5 115.028 14.877 -5.477 880 HB3 PRO 5 HB1 PRO 5 114.276 16.036 -6.581 881 HG2 PRO 5 HG2 PRO 5 117.000 15.109 -6.635 882 HG3 PRO 5 HG1 PRO 5 116.265 16.333 -7.680 883 HD2 PRO 5 HD2 PRO 5 118.154 16.736 -5.502 884 HD3 PRO 5 HD1 PRO 5 117.497 17.950 -6.619 885 H GLU 6 HN GLU 6 113.027 15.840 -3.679 886 HA GLU 6 HA GLU 6 114.079 15.742 -0.962 887 HB2 GLU 6 HB2 GLU 6 111.656 14.272 -2.022 888 HB3 GLU 6 HB1 GLU 6 111.964 14.795 -0.366 889 HG2 GLU 6 HG2 GLU 6 111.877 17.156 -1.100 890 HG3 GLU 6 HG1 GLU 6 111.539 16.624 -2.748 891 H LYS 7 HN LYS 7 115.858 14.391 -2.636 892 HA LYS 7 HA LYS 7 116.910 12.308 -2.953 893 HB2 LYS 7 HB2 LYS 7 115.612 11.925 -0.238 894 HB3 LYS 7 HB1 LYS 7 116.829 10.841 -0.915 895 HG2 LYS 7 HG2 LYS 7 118.390 12.778 -1.114 896 HG3 LYS 7 HG1 LYS 7 117.185 13.793 -0.322 897 HD2 LYS 7 HD2 LYS 7 117.235 12.261 1.644 898 HD3 LYS 7 HD1 LYS 7 118.520 11.341 0.860 899 HE2 LYS 7 HE2 LYS 7 118.697 14.303 1.473 900 HE3 LYS 7 HE1 LYS 7 119.364 13.041 2.508 901 HZ1 LYS 7 HZ1 LYS 7 120.479 14.177 0.193 902 HZ2 LYS 7 HZ2 LYS 7 120.204 12.526 -0.096 903 HZ3 LYS 7 HZ3 LYS 7 121.151 13.013 1.228 904 H ARG 8 HN ARG 8 114.997 10.231 -1.161 905 HA ARG 8 HA ARG 8 113.785 9.124 -3.628 906 HB2 ARG 8 HB2 ARG 8 113.487 7.951 -0.853 907 HB3 ARG 8 HB1 ARG 8 113.450 7.133 -2.411 908 HG2 ARG 8 HG2 ARG 8 115.940 8.479 -1.352 909 HG3 ARG 8 HG1 ARG 8 115.563 6.793 -1.034 910 HD2 ARG 8 HD2 ARG 8 115.387 6.386 -3.469 911 HD3 ARG 8 HD1 ARG 8 115.849 8.057 -3.770 912 HE ARG 8 HE ARG 8 117.616 5.845 -3.233 913 HH11 ARG 8 HH21 ARG 8 117.168 9.175 -2.420 914 HH12 ARG 8 HH22 ARG 8 118.799 9.383 -1.879 915 HH21 ARG 8 HH11 ARG 8 119.732 6.121 -2.554 916 HH22 ARG 8 HH12 ARG 8 120.245 7.664 -1.958 917 H VAL 9 HN VAL 9 111.404 8.246 -3.219 918 HA VAL 9 HA VAL 9 109.727 10.506 -2.761 919 HB VAL 9 HB VAL 9 109.249 7.535 -2.952 920 HG11 VAL 9 HG11 VAL 9 106.763 8.078 -2.778 921 HG12 VAL 9 HG12 VAL 9 107.241 9.613 -2.054 922 HG13 VAL 9 HG13 VAL 9 107.651 8.096 -1.254 923 HG21 VAL 9 HG21 VAL 9 107.882 8.237 -4.876 924 HG22 VAL 9 HG22 VAL 9 109.518 8.885 -4.996 925 HG23 VAL 9 HG23 VAL 9 108.192 9.928 -4.480 926 H ALA 10 HN ALA 10 108.181 10.733 -0.891 927 HA ALA 10 HA ALA 10 109.524 9.916 1.675 928 HB1 ALA 10 HB1 ALA 10 107.885 12.369 0.995 929 HB2 ALA 10 HB2 ALA 10 109.614 12.311 1.339 930 HB3 ALA 10 HB3 ALA 10 108.449 11.968 2.618 931 H SER 11 HN SER 11 108.260 9.235 3.404 932 HA SER 11 HA SER 11 105.323 8.910 2.966 933 HB2 SER 11 HB2 SER 11 105.866 6.742 2.356 934 HB3 SER 11 HB1 SER 11 107.356 6.738 3.294 935 HG SER 11 HG SER 11 104.995 5.770 3.971 936 H SER 12 HN SER 12 104.139 8.753 4.959 937 HA SER 12 HA SER 12 105.673 8.929 7.490 938 HB2 SER 12 HB2 SER 12 104.829 11.041 8.142 939 HB3 SER 12 HB1 SER 12 105.332 11.274 6.470 940 HG SER 12 HG SER 12 102.894 11.519 7.566 941 H VAL 13 HN VAL 13 104.616 7.879 9.073 942 HA VAL 13 HA VAL 13 101.771 7.858 9.449 943 HB VAL 13 HB VAL 13 101.848 6.382 7.477 944 HG11 VAL 13 HG11 VAL 13 103.560 4.539 9.153 945 HG12 VAL 13 HG12 VAL 13 104.216 5.618 7.923 946 HG13 VAL 13 HG13 VAL 13 103.102 4.331 7.463 947 HG21 VAL 13 HG21 VAL 13 101.384 4.551 9.824 948 HG22 VAL 13 HG22 VAL 13 100.448 4.710 8.340 949 HG23 VAL 13 HG23 VAL 13 100.341 5.954 9.583 950 H PHE 14 HN PHE 14 101.265 6.007 11.171 951 HA PHE 14 HA PHE 14 103.316 4.730 12.601 952 HB2 PHE 14 HB2 PHE 14 103.315 6.531 14.581 953 HB3 PHE 14 HB1 PHE 14 104.473 6.580 13.278 954 HD1 PHE 14 HD2 PHE 14 100.861 7.517 13.096 955 HD2 PHE 14 HD1 PHE 14 104.910 8.946 13.117 956 HE1 PHE 14 HE2 PHE 14 100.093 9.803 12.586 957 HE2 PHE 14 HE1 PHE 14 104.146 11.197 12.672 958 HZ PHE 14 HZ PHE 14 101.719 11.658 12.372 959 H ILE 15 HN ILE 15 102.706 4.841 15.206 960 HA ILE 15 HA ILE 15 99.759 4.650 15.513 961 HB ILE 15 HB ILE 15 100.186 2.447 16.737 962 HG12 ILE 15 HG12 ILE 15 102.808 2.950 16.488 963 HG13 ILE 15 HG11 ILE 15 102.190 1.305 16.534 964 HG21 ILE 15 HG21 ILE 15 98.971 2.392 14.695 965 HG22 ILE 15 HG22 ILE 15 100.214 1.150 14.545 966 HG23 ILE 15 HG23 ILE 15 100.421 2.706 13.741 967 HD11 ILE 15 HD11 ILE 15 103.878 1.979 14.652 968 HD12 ILE 15 HD12 ILE 15 102.473 2.714 13.886 969 HD13 ILE 15 HD13 ILE 15 102.482 0.988 14.233 970 H THR 16 HN THR 16 99.450 3.938 18.017 971 HA THR 16 HA THR 16 101.511 5.257 19.721 972 HB THR 16 HB THR 16 99.793 6.977 19.147 973 HG1 THR 16 HG1 THR 16 99.902 7.676 21.130 974 HG21 THR 16 HG21 THR 16 97.863 5.223 20.675 975 HG22 THR 16 HG22 THR 16 97.947 5.239 18.913 976 HG23 THR 16 HG23 THR 16 97.507 6.706 19.789 977 H LEU 17 HN LEU 17 101.633 4.360 21.793 978 HA LEU 17 HA LEU 17 99.978 1.905 22.221 979 HB2 LEU 17 HB2 LEU 17 102.437 2.722 23.780 980 HB3 LEU 17 HB1 LEU 17 101.721 1.117 23.634 981 HG LEU 17 HG LEU 17 103.126 2.690 21.459 982 HD11 LEU 17 HD11 LEU 17 103.756 -0.064 22.542 983 HD12 LEU 17 HD12 LEU 17 104.449 1.399 23.243 984 HD13 LEU 17 HD13 LEU 17 104.785 0.982 21.563 985 HD21 LEU 17 HD21 LEU 17 102.709 0.494 20.160 986 HD22 LEU 17 HD22 LEU 17 101.339 1.586 20.341 987 HD23 LEU 17 HD23 LEU 17 101.469 0.159 21.369 988 H ALA 18 HN ALA 18 98.873 1.580 24.165 989 HA ALA 18 HA ALA 18 98.945 3.620 26.269 990 HB1 ALA 18 HB1 ALA 18 96.304 3.725 26.036 991 HB2 ALA 18 HB2 ALA 18 96.645 3.288 24.363 992 HB3 ALA 18 HB3 ALA 18 97.318 4.770 25.040 993 HA PRO 19 HA PRO 19 98.104 0.011 28.667 994 HB2 PRO 19 HB2 PRO 19 96.246 1.180 30.536 995 HB3 PRO 19 HB1 PRO 19 97.981 0.923 30.765 996 HG2 PRO 19 HG2 PRO 19 96.572 3.437 30.229 997 HG3 PRO 19 HG1 PRO 19 98.264 3.199 30.692 998 HD2 PRO 19 HD2 PRO 19 97.316 3.961 28.115 999 HD3 PRO 19 HD1 PRO 19 98.969 3.464 28.530 1000 HA PRO 20 HA PRO 20 94.304 -1.742 27.237 1001 HB2 PRO 20 HB2 PRO 20 93.470 -3.140 29.590 1002 HB3 PRO 20 HB1 PRO 20 94.463 -3.784 28.275 1003 HG2 PRO 20 HG2 PRO 20 95.298 -2.992 30.983 1004 HG3 PRO 20 HG1 PRO 20 96.197 -3.920 29.773 1005 HD2 PRO 20 HD2 PRO 20 96.682 -1.211 30.517 1006 HD3 PRO 20 HD1 PRO 20 97.389 -2.074 29.134 1007 H ARG 21 HN ARG 21 91.927 -2.284 28.711 1008 HA ARG 21 HA ARG 21 90.781 0.371 28.878 1009 HB2 ARG 21 HB2 ARG 21 88.729 -0.812 29.571 1010 HB3 ARG 21 HB1 ARG 21 89.457 -1.600 28.171 1011 HG2 ARG 21 HG2 ARG 21 90.653 -3.132 29.836 1012 HG3 ARG 21 HG1 ARG 21 89.562 -2.483 31.061 1013 HD2 ARG 21 HD2 ARG 21 87.621 -3.201 29.714 1014 HD3 ARG 21 HD1 ARG 21 88.714 -3.861 28.496 1015 HE ARG 21 HE ARG 21 89.500 -5.119 30.833 1016 HH11 ARG 21 HH21 ARG 21 86.545 -4.648 29.122 1017 HH12 ARG 21 HH22 ARG 21 85.849 -6.145 29.646 1018 HH21 ARG 21 HH11 ARG 21 88.607 -7.075 31.528 1019 HH22 ARG 21 HH12 ARG 21 87.015 -7.518 31.009 1020 H ARG 22 HN ARG 22 90.203 1.529 30.753 1021 HA ARG 22 HA ARG 22 91.808 1.064 33.097 1022 HB2 ARG 22 HB2 ARG 22 89.378 2.845 32.733 1023 HB3 ARG 22 HB1 ARG 22 90.501 2.916 34.091 1024 HG2 ARG 22 HG2 ARG 22 92.344 3.228 32.294 1025 HG3 ARG 22 HG1 ARG 22 91.015 3.596 31.194 1026 HD2 ARG 22 HD2 ARG 22 91.726 5.699 32.077 1027 HD3 ARG 22 HD1 ARG 22 90.234 5.302 32.929 1028 HE ARG 22 HE ARG 22 92.223 4.251 34.549 1029 HH11 ARG 22 HH21 ARG 22 91.528 7.297 33.093 1030 HH12 ARG 22 HH22 ARG 22 92.265 8.220 34.360 1031 HH21 ARG 22 HH11 ARG 22 93.184 5.436 36.214 1032 HH22 ARG 22 HH12 ARG 22 93.203 7.166 36.128 1033 H ASP 23 HN ASP 23 91.430 -0.682 34.367 1034 HA ASP 23 HA ASP 23 88.597 -1.268 35.186 1035 HB2 ASP 23 HB2 ASP 23 89.512 -3.031 33.697 1036 HB3 ASP 23 HB1 ASP 23 90.867 -3.246 34.806 1037 H VAL 24 HN VAL 24 92.009 -1.153 36.107 1038 HA VAL 24 HA VAL 24 93.014 -1.009 38.219 1039 HB VAL 24 HB VAL 24 90.303 -0.148 39.245 1040 HG11 VAL 24 HG11 VAL 24 92.071 -0.372 40.915 1041 HG12 VAL 24 HG12 VAL 24 91.735 1.339 40.647 1042 HG13 VAL 24 HG13 VAL 24 93.163 0.597 39.926 1043 HG21 VAL 24 HG21 VAL 24 92.309 1.408 37.587 1044 HG22 VAL 24 HG22 VAL 24 91.018 2.165 38.521 1045 HG23 VAL 24 HG23 VAL 24 90.623 1.081 37.186 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 114.994 12.072 45.583 2 H2 GLY 1 HT2 GLY 1 116.668 12.347 45.492 3 H3 GLY 1 HT3 GLY 1 115.970 11.822 46.948 4 HA2 GLY 1 HA2 GLY 1 115.084 9.810 45.380 5 HA3 GLY 1 HA1 GLY 1 116.669 10.241 44.679 6 H ILE 2 HN ILE 2 116.412 7.781 45.636 7 HA ILE 2 HA ILE 2 119.221 7.680 46.125 8 HB ILE 2 HB ILE 2 118.100 8.589 48.331 9 HG12 ILE 2 HG12 ILE 2 120.463 7.999 48.151 10 HG13 ILE 2 HG11 ILE 2 119.814 7.456 49.693 11 HG21 ILE 2 HG21 ILE 2 117.813 5.729 49.151 12 HG22 ILE 2 HG22 ILE 2 116.503 6.436 48.208 13 HG23 ILE 2 HG23 ILE 2 116.980 7.165 49.737 14 HD11 ILE 2 HD11 ILE 2 120.312 5.738 47.243 15 HD12 ILE 2 HD12 ILE 2 119.537 5.169 48.723 16 HD13 ILE 2 HD13 ILE 2 121.214 5.703 48.754 17 HA PRO 3 HA PRO 3 116.510 3.947 44.818 18 HB2 PRO 3 HB2 PRO 3 117.904 3.840 42.324 19 HB3 PRO 3 HB1 PRO 3 116.226 4.335 42.576 20 HG2 PRO 3 HG2 PRO 3 118.586 6.025 42.024 21 HG3 PRO 3 HG1 PRO 3 116.868 6.426 41.873 22 HD2 PRO 3 HD2 PRO 3 118.570 7.377 43.898 23 HD3 PRO 3 HD1 PRO 3 116.794 7.366 43.952 24 H GLU 4 HN GLU 4 119.604 4.109 43.159 25 HA GLU 4 HA GLU 4 121.602 2.864 43.556 26 HB2 GLU 4 HB2 GLU 4 120.918 3.458 46.115 27 HB3 GLU 4 HB1 GLU 4 120.573 1.730 46.156 28 HG2 GLU 4 HG2 GLU 4 122.847 1.930 46.826 29 HG3 GLU 4 HG1 GLU 4 122.905 1.393 45.147 30 H PHE 5 HN PHE 5 118.431 1.966 43.756 31 HA PHE 5 HA PHE 5 118.718 -0.912 43.248 32 HB2 PHE 5 HB2 PHE 5 116.571 1.096 43.970 33 HB3 PHE 5 HB1 PHE 5 116.061 -0.304 42.993 34 HD1 PHE 5 HD1 PHE 5 118.752 -0.189 45.581 35 HD2 PHE 5 HD2 PHE 5 114.826 -1.603 44.557 36 HE1 PHE 5 HE1 PHE 5 118.727 -1.598 47.621 37 HE2 PHE 5 HE2 PHE 5 114.802 -3.011 46.598 38 HZ PHE 5 HZ PHE 5 116.752 -3.009 48.130 39 H PHE 6 HN PHE 6 119.597 1.556 41.724 40 HA PHE 6 HA PHE 6 119.573 2.486 39.620 41 HB2 PHE 6 HB2 PHE 6 119.563 0.813 37.752 42 HB3 PHE 6 HB1 PHE 6 120.713 0.446 39.036 43 HD1 PHE 6 HD2 PHE 6 120.312 -1.388 40.620 44 HD2 PHE 6 HD1 PHE 6 117.580 -0.584 37.402 45 HE1 PHE 6 HE2 PHE 6 119.261 -3.607 40.956 46 HE2 PHE 6 HE1 PHE 6 116.530 -2.804 37.740 47 HZ PHE 6 HZ PHE 6 117.371 -4.316 39.517 48 H GLN 7 HN GLN 7 118.074 1.473 37.330 49 HA GLN 7 HA GLN 7 115.898 1.556 36.401 50 HB2 GLN 7 HB2 GLN 7 115.168 0.781 38.878 51 HB3 GLN 7 HB1 GLN 7 114.653 2.463 38.997 52 HG2 GLN 7 HG2 GLN 7 113.414 2.115 36.801 53 HG3 GLN 7 HG1 GLN 7 113.738 0.391 36.990 54 HE21 GLN 7 HE21 GLN 7 112.911 2.816 39.515 55 HE22 GLN 7 HE22 GLN 7 111.507 2.017 40.036 56 H PHE 8 HN PHE 8 117.738 3.644 38.135 57 HA PHE 8 HA PHE 8 116.861 5.932 36.549 58 HB2 PHE 8 HB2 PHE 8 115.509 6.030 38.696 59 HB3 PHE 8 HB1 PHE 8 117.040 6.197 39.556 60 HD1 PHE 8 HD1 PHE 8 118.401 8.216 39.345 61 HD2 PHE 8 HD2 PHE 8 114.673 7.815 37.249 62 HE1 PHE 8 HE1 PHE 8 118.415 10.647 38.856 63 HE2 PHE 8 HE2 PHE 8 114.686 10.246 36.761 64 HZ PHE 8 HZ PHE 8 116.557 11.662 37.564 65 H THR 9 HN THR 9 118.996 4.538 38.920 66 HA THR 9 HA THR 9 121.197 6.380 38.150 67 HB THR 9 HB THR 9 121.294 4.015 40.052 68 HG1 THR 9 HG1 THR 9 121.130 5.892 41.601 69 HG21 THR 9 HG21 THR 9 123.145 5.461 41.048 70 HG22 THR 9 HG22 THR 9 123.026 6.452 39.595 71 HG23 THR 9 HG23 THR 9 123.489 4.755 39.469 72 H VAL 10 HN VAL 10 119.658 3.832 36.940 73 HA VAL 10 HA VAL 10 121.346 1.757 36.341 74 HB VAL 10 HB VAL 10 119.036 1.917 35.529 75 HG11 VAL 10 HG11 VAL 10 119.152 4.325 34.901 76 HG12 VAL 10 HG12 VAL 10 118.451 3.317 33.635 77 HG13 VAL 10 HG13 VAL 10 120.112 3.880 33.494 78 HG21 VAL 10 HG21 VAL 10 120.567 0.332 34.419 79 HG22 VAL 10 HG22 VAL 10 121.041 1.585 33.275 80 HG23 VAL 10 HG23 VAL 10 119.389 0.975 33.276 81 H GLY 11 HN GLY 11 121.394 4.982 34.911 82 HA2 GLY 11 HA2 GLY 11 123.894 5.628 34.468 83 HA3 GLY 11 HA1 GLY 11 123.843 4.287 33.332 84 HA PRO 12 HA PRO 12 122.217 7.042 30.244 85 HB2 PRO 12 HB2 PRO 12 120.352 5.348 28.993 86 HB3 PRO 12 HB1 PRO 12 122.087 5.380 28.647 87 HG2 PRO 12 HG2 PRO 12 120.534 3.418 30.268 88 HG3 PRO 12 HG1 PRO 12 122.032 3.180 29.357 89 HD2 PRO 12 HD2 PRO 12 121.906 3.404 32.125 90 HD3 PRO 12 HD1 PRO 12 123.355 3.739 31.159 91 H LEU 13 HN LEU 13 121.051 7.165 32.829 92 HA LEU 13 HA LEU 13 119.041 7.537 34.028 93 HB2 LEU 13 HB2 LEU 13 117.961 9.679 33.047 94 HB3 LEU 13 HB1 LEU 13 119.623 9.762 33.612 95 HG LEU 13 HG LEU 13 119.144 9.084 30.720 96 HD11 LEU 13 HD11 LEU 13 118.881 11.840 31.932 97 HD12 LEU 13 HD12 LEU 13 117.684 10.978 30.966 98 HD13 LEU 13 HD13 LEU 13 119.174 11.552 30.216 99 HD21 LEU 13 HD21 LEU 13 121.451 9.082 31.531 100 HD22 LEU 13 HD22 LEU 13 121.239 10.686 32.226 101 HD23 LEU 13 HD23 LEU 13 121.222 10.473 30.478 102 H GLY 14 HN GLY 14 118.514 5.371 32.441 103 HA2 GLY 14 HA2 GLY 14 116.639 4.148 31.739 104 HA3 GLY 14 HA1 GLY 14 115.645 5.538 32.175 105 H GLU 15 HN GLU 15 116.960 7.456 30.494 106 HA GLU 15 HA GLU 15 116.598 8.284 28.307 107 HB2 GLU 15 HB2 GLU 15 118.507 6.529 28.102 108 HB3 GLU 15 HB1 GLU 15 117.275 5.486 27.396 109 HG2 GLU 15 HG2 GLU 15 118.292 6.588 25.542 110 HG3 GLU 15 HG1 GLU 15 116.773 7.444 25.797 111 H GLY 16 HN GLY 16 114.503 6.647 29.832 112 HA2 GLY 16 HA2 GLY 16 112.227 6.237 29.427 113 HA3 GLY 16 HA1 GLY 16 112.480 6.682 27.734 114 H GLY 17 HN GLY 17 111.132 4.706 27.296 115 HA2 GLY 17 HA2 GLY 17 112.196 2.102 27.985 116 HA3 GLY 17 HA1 GLY 17 110.920 2.407 26.810 117 H ALA 18 HN ALA 18 113.306 4.440 25.812 118 HA ALA 18 HA ALA 18 113.935 3.035 23.476 119 HB1 ALA 18 HB1 ALA 18 114.657 5.251 23.394 120 HB2 ALA 18 HB2 ALA 18 116.195 4.438 23.673 121 HB3 ALA 18 HB3 ALA 18 115.339 5.192 25.018 122 H HIS 19 HN HIS 19 114.856 2.259 26.638 123 HA HIS 19 HA HIS 19 117.237 0.707 25.765 124 HB2 HIS 19 HB2 HIS 19 117.495 2.002 27.818 125 HB3 HIS 19 HB1 HIS 19 116.062 1.244 28.511 126 HD1 HIS 19 HD1 HIS 19 117.115 -0.106 30.380 127 HD2 HIS 19 HD2 HIS 19 118.978 -0.758 26.708 128 HE1 HIS 19 HE1 HIS 19 118.733 -2.023 30.728 129 H LYS 20 HN LYS 20 114.014 0.247 27.236 130 HA LYS 20 HA LYS 20 114.331 -2.670 27.234 131 HB2 LYS 20 HB2 LYS 20 112.144 -2.743 28.206 132 HB3 LYS 20 HB1 LYS 20 112.976 -1.377 28.939 133 HG2 LYS 20 HG2 LYS 20 111.101 -0.188 28.370 134 HG3 LYS 20 HG1 LYS 20 111.796 -0.161 26.755 135 HD2 LYS 20 HD2 LYS 20 110.572 -2.378 26.344 136 HD3 LYS 20 HD1 LYS 20 109.707 -2.063 27.844 137 HE2 LYS 20 HE2 LYS 20 109.370 0.344 26.602 138 HE3 LYS 20 HE1 LYS 20 109.432 -0.730 25.204 139 HZ1 LYS 20 HZ1 LYS 20 107.852 -1.887 27.234 140 HZ2 LYS 20 HZ2 LYS 20 107.405 -1.440 25.657 141 HZ3 LYS 20 HZ3 LYS 20 107.302 -0.313 26.924 142 H VAL 21 HN VAL 21 113.043 -0.226 25.096 143 HA VAL 21 HA VAL 21 111.292 -1.870 23.547 144 HB VAL 21 HB VAL 21 112.976 0.527 22.747 145 HG11 VAL 21 HG11 VAL 21 112.468 -0.628 20.717 146 HG12 VAL 21 HG12 VAL 21 111.262 0.651 20.854 147 HG13 VAL 21 HG13 VAL 21 110.835 -1.011 21.261 148 HG21 VAL 21 HG21 VAL 21 111.123 0.735 24.518 149 HG22 VAL 21 HG22 VAL 21 109.991 0.371 23.216 150 HG23 VAL 21 HG23 VAL 21 111.007 1.810 23.126 151 H ARG 22 HN ARG 22 111.901 -3.748 22.647 152 HA ARG 22 HA ARG 22 114.670 -4.031 21.563 153 HB2 ARG 22 HB2 ARG 22 114.046 -5.718 23.197 154 HB3 ARG 22 HB1 ARG 22 112.559 -6.057 22.324 155 HG2 ARG 22 HG2 ARG 22 114.376 -7.741 21.897 156 HG3 ARG 22 HG1 ARG 22 113.797 -6.954 20.432 157 HD2 ARG 22 HD2 ARG 22 116.370 -7.177 20.798 158 HD3 ARG 22 HD1 ARG 22 115.733 -5.639 20.224 159 HE ARG 22 HE ARG 22 115.747 -5.347 22.974 160 HH11 ARG 22 HH21 ARG 22 118.010 -6.291 20.553 161 HH12 ARG 22 HH22 ARG 22 119.383 -5.675 21.409 162 HH21 ARG 22 HH11 ARG 22 117.525 -4.536 24.106 163 HH22 ARG 22 HH12 ARG 22 119.109 -4.681 23.421 164 H ALA 23 HN ALA 23 114.962 -4.172 19.400 165 HA ALA 23 HA ALA 23 112.648 -4.878 17.643 166 HB1 ALA 23 HB1 ALA 23 113.255 -3.058 16.107 167 HB2 ALA 23 HB2 ALA 23 114.554 -2.556 17.189 168 HB3 ALA 23 HB3 ALA 23 112.872 -2.399 17.697 169 H GLY 24 HN GLY 24 113.347 -6.697 16.622 170 HA2 GLY 24 HA2 GLY 24 115.930 -6.642 15.204 171 HA3 GLY 24 HA1 GLY 24 115.803 -7.852 16.483 172 H GLY 25 HN GLY 25 115.762 -7.831 13.328 173 HA2 GLY 25 HA2 GLY 25 114.231 -10.224 13.044 174 HA3 GLY 25 HA1 GLY 25 113.265 -8.867 12.473 175 H THR 26 HN THR 26 113.651 -10.407 10.470 176 HA THR 26 HA THR 26 116.246 -10.090 9.153 177 HB THR 26 HB THR 26 114.924 -11.097 7.180 178 HG1 THR 26 HG1 THR 26 113.045 -11.592 9.231 179 HG21 THR 26 HG21 THR 26 114.784 -13.341 8.354 180 HG22 THR 26 HG22 THR 26 115.193 -12.498 9.848 181 HG23 THR 26 HG23 THR 26 116.335 -12.516 8.504 182 H GLY 27 HN GLY 27 113.191 -8.415 9.197 183 HA2 GLY 27 HA2 GLY 27 113.538 -6.987 6.712 184 HA3 GLY 27 HA1 GLY 27 112.450 -6.519 8.022 185 H LEU 28 HN LEU 28 115.001 -6.814 9.778 186 HA LEU 28 HA LEU 28 115.835 -3.981 9.459 187 HB2 LEU 28 HB2 LEU 28 116.319 -6.051 11.621 188 HB3 LEU 28 HB1 LEU 28 116.991 -4.428 11.660 189 HG LEU 28 HG LEU 28 114.023 -4.944 11.375 190 HD11 LEU 28 HD11 LEU 28 115.728 -4.726 13.859 191 HD12 LEU 28 HD12 LEU 28 114.528 -5.954 13.457 192 HD13 LEU 28 HD13 LEU 28 114.012 -4.321 13.877 193 HD21 LEU 28 HD21 LEU 28 114.059 -2.586 12.497 194 HD22 LEU 28 HD22 LEU 28 114.475 -2.695 10.792 195 HD23 LEU 28 HD23 LEU 28 115.748 -2.537 12.000 196 H GLU 29 HN GLU 29 116.677 -6.028 7.537 197 HA GLU 29 HA GLU 29 119.615 -5.659 7.831 198 HB2 GLU 29 HB2 GLU 29 118.477 -8.337 7.015 199 HB3 GLU 29 HB1 GLU 29 120.129 -7.949 7.498 200 HG2 GLU 29 HG2 GLU 29 119.275 -7.388 9.786 201 HG3 GLU 29 HG1 GLU 29 117.677 -7.938 9.281 202 H ARG 30 HN ARG 30 117.141 -7.137 5.661 203 HA ARG 30 HA ARG 30 118.038 -5.356 3.482 204 HB2 ARG 30 HB2 ARG 30 118.455 -8.356 3.400 205 HB3 ARG 30 HB1 ARG 30 118.472 -7.339 1.961 206 HG2 ARG 30 HG2 ARG 30 120.268 -5.945 3.155 207 HG3 ARG 30 HG1 ARG 30 120.376 -7.276 4.308 208 HD2 ARG 30 HD2 ARG 30 121.033 -7.281 1.370 209 HD3 ARG 30 HD1 ARG 30 122.024 -7.820 2.725 210 HE ARG 30 HE ARG 30 119.828 -9.512 2.790 211 HH11 ARG 30 HH21 ARG 30 122.157 -8.517 0.453 212 HH12 ARG 30 HH22 ARG 30 122.128 -10.018 -0.410 213 HH21 ARG 30 HH11 ARG 30 119.778 -11.479 1.678 214 HH22 ARG 30 HH12 ARG 30 120.782 -11.695 0.283 215 H GLY 31 HN GLY 31 116.573 -5.380 1.662 216 HA2 GLY 31 HA2 GLY 31 114.128 -7.066 1.939 217 HA3 GLY 31 HA1 GLY 31 113.940 -5.313 1.838 218 H VAL 32 HN VAL 32 112.769 -6.726 -0.176 219 HA VAL 32 HA VAL 32 114.555 -6.136 -2.497 220 HB VAL 32 HB VAL 32 113.012 -8.670 -1.961 221 HG11 VAL 32 HG11 VAL 32 112.349 -8.174 -4.185 222 HG12 VAL 32 HG12 VAL 32 113.718 -9.273 -4.356 223 HG13 VAL 32 HG13 VAL 32 113.941 -7.541 -4.597 224 HG21 VAL 32 HG21 VAL 32 115.813 -8.364 -3.026 225 HG22 VAL 32 HG22 VAL 32 115.090 -9.755 -2.225 226 HG23 VAL 32 HG23 VAL 32 115.478 -8.308 -1.297 227 H ALA 33 HN ALA 33 113.529 -5.430 -4.353 228 HA ALA 33 HA ALA 33 111.425 -3.687 -4.270 229 HB1 ALA 33 HB1 ALA 33 111.676 -3.640 -6.544 230 HB2 ALA 33 HB2 ALA 33 111.327 -5.360 -6.715 231 HB3 ALA 33 HB3 ALA 33 112.939 -4.832 -6.265 232 H GLY 34 HN GLY 34 109.491 -4.074 -3.214 233 HA2 GLY 34 HA2 GLY 34 107.340 -4.922 -2.913 234 HA3 GLY 34 HA1 GLY 34 107.495 -5.627 -4.511 235 H VAL 35 HN VAL 35 109.004 -6.262 -1.298 236 HA VAL 35 HA VAL 35 108.203 -9.122 -1.663 237 HB VAL 35 HB VAL 35 110.700 -8.588 -1.935 238 HG11 VAL 35 HG11 VAL 35 112.001 -8.265 0.075 239 HG12 VAL 35 HG12 VAL 35 110.579 -8.416 1.093 240 HG13 VAL 35 HG13 VAL 35 110.765 -7.011 0.042 241 HG21 VAL 35 HG21 VAL 35 109.757 -10.858 -1.493 242 HG22 VAL 35 HG22 VAL 35 109.912 -10.551 0.237 243 HG23 VAL 35 HG23 VAL 35 111.352 -10.632 -0.776 244 HA PRO 36 HA PRO 36 106.133 -8.306 2.251 245 HB2 PRO 36 HB2 PRO 36 106.212 -11.086 3.062 246 HB3 PRO 36 HB1 PRO 36 104.828 -10.184 2.431 247 HG2 PRO 36 HG2 PRO 36 106.402 -12.208 1.067 248 HG3 PRO 36 HG1 PRO 36 104.975 -11.352 0.466 249 HD2 PRO 36 HD2 PRO 36 107.698 -10.984 -0.380 250 HD3 PRO 36 HD1 PRO 36 106.274 -10.055 -0.897 251 H ALA 37 HN ALA 37 107.459 -7.352 3.775 252 HA ALA 37 HA ALA 37 109.679 -9.040 4.933 253 HB1 ALA 37 HB1 ALA 37 111.012 -6.983 5.138 254 HB2 ALA 37 HB2 ALA 37 109.719 -6.059 4.373 255 HB3 ALA 37 HB3 ALA 37 110.591 -7.285 3.453 256 H GLU 38 HN GLU 38 110.029 -8.776 7.180 257 HA GLU 38 HA GLU 38 108.409 -6.838 8.663 258 HB2 GLU 38 HB2 GLU 38 107.019 -8.362 9.838 259 HB3 GLU 38 HB1 GLU 38 106.911 -8.882 8.156 260 HG2 GLU 38 HG2 GLU 38 108.889 -10.469 8.764 261 HG3 GLU 38 HG1 GLU 38 108.433 -10.142 10.440 262 H PHE 39 HN PHE 39 108.649 -7.279 11.066 263 HA PHE 39 HA PHE 39 111.020 -8.733 11.905 264 HB2 PHE 39 HB2 PHE 39 112.254 -6.780 12.770 265 HB3 PHE 39 HB1 PHE 39 112.099 -6.702 11.019 266 HD1 PHE 39 HD2 PHE 39 109.911 -5.442 10.171 267 HD2 PHE 39 HD1 PHE 39 111.742 -4.855 14.002 268 HE1 PHE 39 HE2 PHE 39 108.843 -3.214 10.331 269 HE2 PHE 39 HE1 PHE 39 110.684 -2.619 14.163 270 HZ PHE 39 HZ PHE 39 109.232 -1.799 12.329 271 H SER 40 HN SER 40 111.306 -8.372 14.315 272 HA SER 40 HA SER 40 108.603 -8.222 15.537 273 HB2 SER 40 HB2 SER 40 109.672 -10.230 16.137 274 HB3 SER 40 HB1 SER 40 111.228 -9.440 16.376 275 HG SER 40 HG SER 40 110.533 -9.556 18.393 276 H ILE 41 HN ILE 41 108.204 -6.968 17.415 277 HA ILE 41 HA ILE 41 110.283 -5.012 18.264 278 HB ILE 41 HB ILE 41 107.450 -4.147 17.630 279 HG12 ILE 41 HG12 ILE 41 109.950 -3.974 15.921 280 HG13 ILE 41 HG11 ILE 41 108.442 -4.792 15.514 281 HG21 ILE 41 HG21 ILE 41 108.298 -1.938 17.949 282 HG22 ILE 41 HG22 ILE 41 109.970 -2.499 17.919 283 HG23 ILE 41 HG23 ILE 41 108.933 -2.889 19.292 284 HD11 ILE 41 HD11 ILE 41 109.023 -1.844 15.623 285 HD12 ILE 41 HD12 ILE 41 107.374 -2.409 15.888 286 HD13 ILE 41 HD13 ILE 41 108.195 -2.767 14.374 287 H TRP 42 HN TRP 42 110.329 -6.205 20.258 288 HA TRP 42 HA TRP 42 107.811 -6.536 21.758 289 HB2 TRP 42 HB2 TRP 42 109.202 -8.351 22.191 290 HB3 TRP 42 HB1 TRP 42 110.665 -7.383 22.103 291 HD1 TRP 42 HD1 TRP 42 111.128 -5.731 24.261 292 HE1 TRP 42 HE1 TRP 42 110.603 -6.122 26.754 293 HE3 TRP 42 HE3 TRP 42 107.645 -9.445 23.859 294 HZ2 TRP 42 HZ2 TRP 42 108.929 -7.788 28.365 295 HZ3 TRP 42 HZ3 TRP 42 106.603 -10.415 25.888 296 HH2 TRP 42 HH2 TRP 42 107.240 -9.591 28.138 297 H THR 43 HN THR 43 107.227 -5.315 23.557 298 HA THR 43 HA THR 43 108.971 -3.419 24.851 299 HB THR 43 HB THR 43 108.840 -1.966 23.022 300 HG1 THR 43 HG1 THR 43 106.442 -1.381 24.411 301 HG21 THR 43 HG21 THR 43 107.454 -3.161 21.525 302 HG22 THR 43 HG22 THR 43 106.583 -1.654 21.811 303 HG23 THR 43 HG23 THR 43 106.082 -3.131 22.635 304 H ARG 44 HN ARG 44 108.123 -3.515 26.884 305 HA ARG 44 HA ARG 44 105.333 -2.852 27.364 306 HB2 ARG 44 HB2 ARG 44 105.382 -5.349 26.667 307 HB3 ARG 44 HB1 ARG 44 106.155 -5.629 28.223 308 HG2 ARG 44 HG2 ARG 44 103.804 -5.946 28.570 309 HG3 ARG 44 HG1 ARG 44 104.220 -4.413 29.311 310 HD2 ARG 44 HD2 ARG 44 103.056 -3.173 27.747 311 HD3 ARG 44 HD1 ARG 44 103.343 -4.313 26.440 312 HE ARG 44 HE ARG 44 101.017 -4.160 28.133 313 HH11 ARG 44 HH21 ARG 44 103.167 -6.488 26.757 314 HH12 ARG 44 HH22 ARG 44 102.044 -7.797 26.918 315 HH21 ARG 44 HH11 ARG 44 99.558 -5.848 28.339 316 HH22 ARG 44 HH12 ARG 44 100.007 -7.436 27.812 317 H GLU 45 HN GLU 45 108.549 -3.374 28.362 318 HA GLU 45 HA GLU 45 108.134 -3.461 31.210 319 HB2 GLU 45 HB2 GLU 45 110.294 -3.960 29.790 320 HB3 GLU 45 HB1 GLU 45 110.600 -2.234 29.980 321 HG2 GLU 45 HG2 GLU 45 110.149 -4.215 32.234 322 HG3 GLU 45 HG1 GLU 45 111.696 -3.498 31.780 323 H ALA 46 HN ALA 46 108.874 -0.754 28.981 324 HA ALA 46 HA ALA 46 108.905 1.282 30.969 325 HB1 ALA 46 HB1 ALA 46 108.492 2.848 29.127 326 HB2 ALA 46 HB2 ALA 46 107.990 1.516 28.087 327 HB3 ALA 46 HB3 ALA 46 109.664 1.630 28.628 328 H GLY 47 HN GLY 47 106.240 0.455 28.727 329 HA2 GLY 47 HA2 GLY 47 104.068 0.052 30.188 330 HA3 GLY 47 HA1 GLY 47 104.328 1.744 30.611 331 H ALA 48 HN ALA 48 102.365 2.367 29.594 332 HA ALA 48 HA ALA 48 101.931 1.813 26.751 333 HB1 ALA 48 HB1 ALA 48 100.014 2.053 28.266 334 HB2 ALA 48 HB2 ALA 48 99.969 3.305 27.025 335 HB3 ALA 48 HB3 ALA 48 100.512 3.699 28.656 336 H GLY 49 HN GLY 49 101.675 3.645 25.175 337 HA2 GLY 49 HA2 GLY 49 102.622 6.268 25.596 338 HA3 GLY 49 HA1 GLY 49 104.024 5.298 25.144 339 H GLY 50 HN GLY 50 104.340 6.162 23.079 340 HA2 GLY 50 HA2 GLY 50 102.368 5.307 21.035 341 HA3 GLY 50 HA1 GLY 50 102.756 7.027 21.098 342 H LEU 51 HN LEU 51 103.463 4.414 19.367 343 HA LEU 51 HA LEU 51 106.400 4.945 19.122 344 HB2 LEU 51 HB2 LEU 51 105.652 2.579 19.421 345 HB3 LEU 51 HB1 LEU 51 104.689 2.722 17.955 346 HG LEU 51 HG LEU 51 106.807 3.274 16.698 347 HD11 LEU 51 HD11 LEU 51 108.911 2.380 17.988 348 HD12 LEU 51 HD12 LEU 51 107.968 2.752 19.431 349 HD13 LEU 51 HD13 LEU 51 108.361 4.027 18.279 350 HD21 LEU 51 HD21 LEU 51 107.702 0.878 16.885 351 HD22 LEU 51 HD22 LEU 51 105.989 1.045 16.503 352 HD23 LEU 51 HD23 LEU 51 106.490 0.637 18.144 353 H SER 52 HN SER 52 106.694 6.625 17.740 354 HA SER 52 HA SER 52 104.955 6.964 15.375 355 HB2 SER 52 HB2 SER 52 105.400 9.073 16.237 356 HB3 SER 52 HB1 SER 52 107.002 8.609 16.803 357 HG SER 52 HG SER 52 106.727 8.422 14.094 358 H ILE 53 HN ILE 53 105.706 6.597 13.216 359 HA ILE 53 HA ILE 53 108.540 5.639 12.956 360 HB ILE 53 HB ILE 53 106.128 4.399 11.607 361 HG12 ILE 53 HG12 ILE 53 107.851 3.227 13.808 362 HG13 ILE 53 HG11 ILE 53 106.295 4.001 14.111 363 HG21 ILE 53 HG21 ILE 53 109.083 3.752 11.654 364 HG22 ILE 53 HG22 ILE 53 108.092 4.151 10.251 365 HG23 ILE 53 HG23 ILE 53 107.860 2.615 11.086 366 HD11 ILE 53 HD11 ILE 53 105.172 2.391 12.654 367 HD12 ILE 53 HD12 ILE 53 106.087 1.532 13.892 368 HD13 ILE 53 HD13 ILE 53 106.718 1.646 12.249 369 H ALA 54 HN ALA 54 109.340 7.387 11.828 370 HA ALA 54 HA ALA 54 107.790 8.491 9.554 371 HB1 ALA 54 HB1 ALA 54 109.036 9.958 11.236 372 HB2 ALA 54 HB2 ALA 54 109.395 10.271 9.538 373 HB3 ALA 54 HB3 ALA 54 110.529 9.347 10.524 374 H VAL 55 HN VAL 55 107.980 7.169 7.807 375 HA VAL 55 HA VAL 55 110.595 5.901 7.192 376 HB VAL 55 HB VAL 55 108.987 5.021 5.195 377 HG11 VAL 55 HG11 VAL 55 108.458 3.070 6.625 378 HG12 VAL 55 HG12 VAL 55 108.924 3.995 8.053 379 HG13 VAL 55 HG13 VAL 55 110.132 3.586 6.834 380 HG21 VAL 55 HG21 VAL 55 107.037 5.360 7.483 381 HG22 VAL 55 HG22 VAL 55 106.705 4.872 5.822 382 HG23 VAL 55 HG23 VAL 55 107.144 6.541 6.178 383 H GLU 56 HN GLU 56 111.730 6.343 5.305 384 HA GLU 56 HA GLU 56 110.675 8.431 3.472 385 HB2 GLU 56 HB2 GLU 56 111.920 9.844 4.884 386 HB3 GLU 56 HB1 GLU 56 113.164 8.634 5.165 387 HG2 GLU 56 HG2 GLU 56 114.130 8.969 3.024 388 HG3 GLU 56 HG1 GLU 56 112.702 9.783 2.416 389 H GLY 57 HN GLY 57 111.466 8.167 1.349 390 HA2 GLY 57 HA2 GLY 57 113.693 6.830 0.430 391 HA3 GLY 57 HA1 GLY 57 112.555 5.532 0.775 392 HA PRO 58 HA PRO 58 111.895 7.189 -3.566 393 HB2 PRO 58 HB2 PRO 58 111.717 4.404 -4.423 394 HB3 PRO 58 HB1 PRO 58 112.899 5.638 -4.877 395 HG2 PRO 58 HG2 PRO 58 113.342 3.385 -3.166 396 HG3 PRO 58 HG1 PRO 58 114.482 4.693 -3.515 397 HD2 PRO 58 HD2 PRO 58 112.975 4.219 -1.062 398 HD3 PRO 58 HD1 PRO 58 114.241 5.421 -1.355 399 H SER 59 HN SER 59 110.296 4.624 -1.695 400 HA SER 59 HA SER 59 107.681 5.599 -2.788 401 HB2 SER 59 HB2 SER 59 108.508 3.460 -3.939 402 HB3 SER 59 HB1 SER 59 108.253 2.661 -2.390 403 HG SER 59 HG SER 59 106.371 3.985 -4.042 404 H LYS 60 HN LYS 60 105.830 4.690 -1.466 405 HA LYS 60 HA LYS 60 106.457 5.067 1.390 406 HB2 LYS 60 HB2 LYS 60 103.750 4.499 0.154 407 HB3 LYS 60 HB1 LYS 60 104.090 5.270 1.703 408 HG2 LYS 60 HG2 LYS 60 105.002 7.227 0.601 409 HG3 LYS 60 HG1 LYS 60 104.906 6.444 -0.973 410 HD2 LYS 60 HD2 LYS 60 103.017 7.946 -0.755 411 HD3 LYS 60 HD1 LYS 60 102.425 6.287 -0.694 412 HE2 LYS 60 HE2 LYS 60 102.038 6.379 1.628 413 HE3 LYS 60 HE1 LYS 60 103.103 7.769 1.846 414 HZ1 LYS 60 HZ1 LYS 60 100.456 7.951 1.685 415 HZ2 LYS 60 HZ2 LYS 60 100.860 8.160 0.048 416 HZ3 LYS 60 HZ3 LYS 60 101.507 9.200 1.224 417 H ALA 61 HN ALA 61 107.246 3.227 2.351 418 HA ALA 61 HA ALA 61 106.479 0.564 1.490 419 HB1 ALA 61 HB1 ALA 61 107.689 -0.102 3.646 420 HB2 ALA 61 HB2 ALA 61 108.013 1.616 3.874 421 HB3 ALA 61 HB3 ALA 61 108.649 0.779 2.458 422 H GLU 62 HN GLU 62 104.713 -0.576 2.130 423 HA GLU 62 HA GLU 62 102.726 0.561 3.862 424 HB2 GLU 62 HB2 GLU 62 102.355 -1.172 2.027 425 HB3 GLU 62 HB1 GLU 62 103.009 -2.370 3.143 426 HG2 GLU 62 HG2 GLU 62 101.228 -2.045 4.696 427 HG3 GLU 62 HG1 GLU 62 100.697 -0.567 3.894 428 H ILE 63 HN ILE 63 101.932 -0.737 5.857 429 HA ILE 63 HA ILE 63 104.146 -1.979 7.407 430 HB ILE 63 HB ILE 63 102.455 0.302 8.487 431 HG12 ILE 63 HG12 ILE 63 105.306 0.256 7.444 432 HG13 ILE 63 HG11 ILE 63 103.956 1.181 6.788 433 HG21 ILE 63 HG21 ILE 63 103.333 -1.416 10.113 434 HG22 ILE 63 HG22 ILE 63 103.948 0.206 10.397 435 HG23 ILE 63 HG23 ILE 63 104.964 -0.994 9.598 436 HD11 ILE 63 HD11 ILE 63 103.803 2.285 9.103 437 HD12 ILE 63 HD12 ILE 63 105.176 2.740 8.094 438 HD13 ILE 63 HD13 ILE 63 105.393 1.588 9.412 439 H ALA 64 HN ALA 64 103.282 -3.293 9.235 440 HA ALA 64 HA ALA 64 100.319 -3.597 9.266 441 HB1 ALA 64 HB1 ALA 64 101.541 -5.248 7.634 442 HB2 ALA 64 HB2 ALA 64 100.323 -5.879 8.740 443 HB3 ALA 64 HB3 ALA 64 102.035 -6.067 9.116 444 H PHE 65 HN PHE 65 99.787 -5.303 11.085 445 HA PHE 65 HA PHE 65 101.772 -5.179 13.306 446 HB2 PHE 65 HB2 PHE 65 100.043 -4.391 14.872 447 HB3 PHE 65 HB1 PHE 65 100.279 -3.216 13.578 448 HD1 PHE 65 HD1 PHE 65 98.624 -3.003 11.748 449 HD2 PHE 65 HD2 PHE 65 97.991 -5.658 15.065 450 HE1 PHE 65 HE1 PHE 65 96.225 -3.185 11.145 451 HE2 PHE 65 HE2 PHE 65 95.592 -5.841 14.461 452 HZ PHE 65 HZ PHE 65 94.710 -4.604 12.501 453 H GLU 66 HN GLU 66 101.872 -7.145 14.293 454 HA GLU 66 HA GLU 66 99.453 -8.895 14.299 455 HB2 GLU 66 HB2 GLU 66 100.905 -9.502 12.337 456 HB3 GLU 66 HB1 GLU 66 102.205 -9.863 13.473 457 HG2 GLU 66 HG2 GLU 66 100.637 -11.496 14.619 458 HG3 GLU 66 HG1 GLU 66 99.504 -11.229 13.290 459 H ASP 67 HN ASP 67 99.134 -9.254 16.428 460 HA ASP 67 HA ASP 67 101.475 -9.486 18.256 461 HB2 ASP 67 HB2 ASP 67 99.620 -9.577 20.014 462 HB3 ASP 67 HB1 ASP 67 99.754 -8.058 19.126 463 H ARG 68 HN ARG 68 101.841 -11.589 16.913 464 HA ARG 68 HA ARG 68 100.321 -13.844 18.178 465 HB2 ARG 68 HB2 ARG 68 101.403 -13.548 15.375 466 HB3 ARG 68 HB1 ARG 68 101.026 -15.124 16.067 467 HG2 ARG 68 HG2 ARG 68 98.714 -14.357 16.532 468 HG3 ARG 68 HG1 ARG 68 99.088 -12.808 15.778 469 HD2 ARG 68 HD2 ARG 68 97.941 -14.347 14.204 470 HD3 ARG 68 HD1 ARG 68 99.561 -13.933 13.650 471 HE ARG 68 HE ARG 68 99.932 -16.270 15.092 472 HH11 ARG 68 HH21 ARG 68 97.898 -15.211 12.519 473 HH12 ARG 68 HH22 ARG 68 97.804 -16.770 11.772 474 HH21 ARG 68 HH11 ARG 68 99.819 -18.316 14.132 475 HH22 ARG 68 HH12 ARG 68 98.891 -18.528 12.685 476 H LYS 69 HN LYS 69 102.781 -12.454 19.072 477 HA LYS 69 HA LYS 69 104.793 -14.657 18.802 478 HB2 LYS 69 HB2 LYS 69 105.279 -11.887 19.923 479 HB3 LYS 69 HB1 LYS 69 106.470 -13.046 19.329 480 HG2 LYS 69 HG2 LYS 69 104.388 -11.614 17.648 481 HG3 LYS 69 HG1 LYS 69 106.117 -11.270 17.669 482 HD2 LYS 69 HD2 LYS 69 106.445 -13.740 17.019 483 HD3 LYS 69 HD1 LYS 69 104.720 -13.747 16.648 484 HE2 LYS 69 HE2 LYS 69 105.054 -11.848 15.094 485 HE3 LYS 69 HE1 LYS 69 106.783 -11.880 15.441 486 HZ1 LYS 69 HZ1 LYS 69 105.510 -14.373 14.597 487 HZ2 LYS 69 HZ2 LYS 69 107.080 -13.800 14.294 488 HZ3 LYS 69 HZ3 LYS 69 105.764 -13.182 13.417 489 H ASP 70 HN ASP 70 102.323 -13.729 20.685 490 HA ASP 70 HA ASP 70 101.693 -14.371 22.842 491 HB2 ASP 70 HB2 ASP 70 103.422 -16.292 22.222 492 HB3 ASP 70 HB1 ASP 70 104.428 -15.483 23.414 493 H GLY 71 HN GLY 71 103.624 -11.975 22.034 494 HA2 GLY 71 HA2 GLY 71 103.428 -10.481 24.357 495 HA3 GLY 71 HA1 GLY 71 104.919 -11.393 24.581 496 H SER 72 HN SER 72 105.559 -11.340 21.673 497 HA SER 72 HA SER 72 106.679 -8.585 21.629 498 HB2 SER 72 HB2 SER 72 108.040 -10.759 21.225 499 HB3 SER 72 HB1 SER 72 107.297 -10.761 19.630 500 HG SER 72 HG SER 72 108.571 -9.187 19.083 501 H CYS 73 HN CYS 73 106.245 -7.125 19.974 502 HA CYS 73 HA CYS 73 103.786 -7.645 18.418 503 HB2 CYS 73 HB2 CYS 73 104.207 -5.465 19.622 504 HB3 CYS 73 HB1 CYS 73 105.505 -5.148 18.472 505 HG CYS 73 HG CYS 73 103.655 -5.270 16.546 506 H GLY 74 HN GLY 74 103.737 -7.886 16.189 507 HA2 GLY 74 HA2 GLY 74 106.392 -8.033 14.790 508 HA3 GLY 74 HA1 GLY 74 104.998 -9.021 14.377 509 H VAL 75 HN VAL 75 106.695 -6.281 13.540 510 HA VAL 75 HA VAL 75 104.341 -4.948 12.253 511 HB VAL 75 HB VAL 75 107.203 -4.041 12.679 512 HG11 VAL 75 HG11 VAL 75 106.255 -1.839 11.790 513 HG12 VAL 75 HG12 VAL 75 104.889 -2.781 11.195 514 HG13 VAL 75 HG13 VAL 75 106.513 -3.104 10.589 515 HG21 VAL 75 HG21 VAL 75 105.961 -3.859 14.715 516 HG22 VAL 75 HG22 VAL 75 104.526 -3.277 13.870 517 HG23 VAL 75 HG23 VAL 75 105.948 -2.244 14.006 518 H SER 76 HN SER 76 103.914 -5.626 10.240 519 HA SER 76 HA SER 76 106.166 -6.658 8.563 520 HB2 SER 76 HB2 SER 76 103.422 -7.009 7.518 521 HB3 SER 76 HB1 SER 76 104.707 -8.197 7.710 522 HG SER 76 HG SER 76 103.450 -7.149 9.987 523 H TYR 77 HN TYR 77 106.722 -5.631 6.682 524 HA TYR 77 HA TYR 77 104.983 -3.386 5.740 525 HB2 TYR 77 HB2 TYR 77 107.002 -1.996 5.407 526 HB3 TYR 77 HB1 TYR 77 106.805 -2.420 7.105 527 HD1 TYR 77 HD2 TYR 77 108.049 -4.603 7.892 528 HD2 TYR 77 HD1 TYR 77 109.048 -2.392 4.344 529 HE1 TYR 77 HE2 TYR 77 110.309 -5.616 7.889 530 HE2 TYR 77 HE1 TYR 77 111.309 -3.404 4.351 531 HH TYR 77 HH TYR 77 112.813 -4.518 6.552 532 H VAL 78 HN VAL 78 105.642 -2.675 3.515 533 HA VAL 78 HA VAL 78 106.942 -4.836 1.909 534 HB VAL 78 HB VAL 78 104.135 -3.765 1.617 535 HG11 VAL 78 HG11 VAL 78 104.968 -3.391 -0.585 536 HG12 VAL 78 HG12 VAL 78 104.164 -4.958 -0.661 537 HG13 VAL 78 HG13 VAL 78 105.923 -4.874 -0.556 538 HG21 VAL 78 HG21 VAL 78 104.836 -5.995 2.788 539 HG22 VAL 78 HG22 VAL 78 105.082 -6.582 1.144 540 HG23 VAL 78 HG23 VAL 78 103.491 -6.020 1.648 541 H VAL 79 HN VAL 79 108.580 -3.768 0.912 542 HA VAL 79 HA VAL 79 108.401 -0.895 0.371 543 HB VAL 79 HB VAL 79 110.587 -2.489 -0.909 544 HG11 VAL 79 HG11 VAL 79 110.329 0.098 -0.588 545 HG12 VAL 79 HG12 VAL 79 111.902 -0.653 -0.345 546 HG13 VAL 79 HG13 VAL 79 110.909 -0.222 1.047 547 HG21 VAL 79 HG21 VAL 79 111.709 -2.645 1.409 548 HG22 VAL 79 HG22 VAL 79 110.456 -3.830 1.054 549 HG23 VAL 79 HG23 VAL 79 110.092 -2.443 2.079 550 H GLN 80 HN GLN 80 108.960 -0.144 -1.936 551 HA GLN 80 HA GLN 80 107.372 -1.779 -3.890 552 HB2 GLN 80 HB2 GLN 80 106.641 0.613 -3.254 553 HB3 GLN 80 HB1 GLN 80 108.051 1.152 -4.165 554 HG2 GLN 80 HG2 GLN 80 107.172 -0.295 -6.091 555 HG3 GLN 80 HG1 GLN 80 105.663 -0.396 -5.183 556 HE21 GLN 80 HE21 GLN 80 107.707 1.741 -7.090 557 HE22 GLN 80 HE22 GLN 80 106.632 3.054 -7.115 558 H GLU 81 HN GLU 81 110.385 0.047 -3.426 559 HA GLU 81 HA GLU 81 111.658 -1.561 -5.506 560 HB2 GLU 81 HB2 GLU 81 111.305 1.424 -5.846 561 HB3 GLU 81 HB1 GLU 81 112.473 0.489 -6.765 562 HG2 GLU 81 HG2 GLU 81 109.459 0.185 -6.818 563 HG3 GLU 81 HG1 GLU 81 110.485 0.780 -8.109 564 HA PRO 82 HA PRO 82 115.388 -1.206 -3.106 565 HB2 PRO 82 HB2 PRO 82 116.588 -0.199 -5.662 566 HB3 PRO 82 HB1 PRO 82 117.194 -1.435 -4.549 567 HG2 PRO 82 HG2 PRO 82 115.937 -2.090 -6.880 568 HG3 PRO 82 HG1 PRO 82 115.839 -3.070 -5.426 569 HD2 PRO 82 HD2 PRO 82 113.701 -1.481 -6.653 570 HD3 PRO 82 HD1 PRO 82 113.597 -2.757 -5.434 571 H GLY 83 HN GLY 83 117.060 0.373 -2.549 572 HA2 GLY 83 HA2 GLY 83 117.590 2.913 -3.074 573 HA3 GLY 83 HA1 GLY 83 115.926 3.139 -2.535 574 H ASP 84 HN ASP 84 117.599 4.487 -1.057 575 HA ASP 84 HA ASP 84 118.501 2.866 1.256 576 HB2 ASP 84 HB2 ASP 84 118.692 5.868 0.855 577 HB3 ASP 84 HB1 ASP 84 119.590 4.885 2.012 578 H TYR 85 HN TYR 85 116.437 2.272 2.071 579 HA TYR 85 HA TYR 85 114.425 4.304 2.618 580 HB2 TYR 85 HB2 TYR 85 114.724 1.369 2.853 581 HB3 TYR 85 HB1 TYR 85 113.651 2.086 4.059 582 HD1 TYR 85 HD2 TYR 85 111.631 3.329 3.339 583 HD2 TYR 85 HD1 TYR 85 114.183 1.335 0.523 584 HE1 TYR 85 HE2 TYR 85 109.865 3.511 1.613 585 HE2 TYR 85 HE1 TYR 85 112.426 1.512 -1.206 586 HH TYR 85 HH TYR 85 109.524 1.818 -0.852 587 H GLU 86 HN GLU 86 114.192 5.441 4.431 588 HA GLU 86 HA GLU 86 116.039 4.876 6.729 589 HB2 GLU 86 HB2 GLU 86 114.961 7.569 6.845 590 HB3 GLU 86 HB1 GLU 86 116.637 7.079 6.632 591 HG2 GLU 86 HG2 GLU 86 114.686 7.145 4.317 592 HG3 GLU 86 HG1 GLU 86 115.625 8.552 4.786 593 H VAL 87 HN VAL 87 115.077 4.361 8.627 594 HA VAL 87 HA VAL 87 112.169 5.004 8.989 595 HB VAL 87 HB VAL 87 112.768 2.570 8.457 596 HG11 VAL 87 HG11 VAL 87 113.753 1.223 10.157 597 HG12 VAL 87 HG12 VAL 87 113.674 2.530 11.339 598 HG13 VAL 87 HG13 VAL 87 114.807 2.628 9.991 599 HG21 VAL 87 HG21 VAL 87 111.384 3.171 11.090 600 HG22 VAL 87 HG22 VAL 87 111.158 1.722 10.111 601 HG23 VAL 87 HG23 VAL 87 110.633 3.290 9.499 602 H SER 88 HN SER 88 111.682 5.979 10.889 603 HA SER 88 HA SER 88 113.774 6.067 13.035 604 HB2 SER 88 HB2 SER 88 113.405 8.222 11.685 605 HB3 SER 88 HB1 SER 88 111.819 8.292 12.447 606 HG SER 88 HG SER 88 113.774 9.355 13.485 607 H ILE 89 HN ILE 89 112.948 4.662 14.508 608 HA ILE 89 HA ILE 89 110.060 4.917 15.251 609 HB ILE 89 HB ILE 89 110.093 2.665 15.860 610 HG12 ILE 89 HG12 ILE 89 113.080 3.026 16.156 611 HG13 ILE 89 HG11 ILE 89 111.919 2.557 17.392 612 HG21 ILE 89 HG21 ILE 89 110.574 3.138 13.384 613 HG22 ILE 89 HG22 ILE 89 110.927 1.508 13.957 614 HG23 ILE 89 HG23 ILE 89 112.237 2.667 13.734 615 HD11 ILE 89 HD11 ILE 89 113.062 0.902 15.154 616 HD12 ILE 89 HD12 ILE 89 111.488 0.488 15.832 617 HD13 ILE 89 HD13 ILE 89 112.915 0.503 16.864 618 H LYS 90 HN LYS 90 109.559 5.718 17.199 619 HA LYS 90 HA LYS 90 111.575 5.746 19.390 620 HB2 LYS 90 HB2 LYS 90 110.942 8.063 19.900 621 HB3 LYS 90 HB1 LYS 90 111.600 7.977 18.275 622 HG2 LYS 90 HG2 LYS 90 108.980 7.540 17.696 623 HG3 LYS 90 HG1 LYS 90 108.781 8.480 19.165 624 HD2 LYS 90 HD2 LYS 90 108.865 10.224 17.643 625 HD3 LYS 90 HD1 LYS 90 110.595 10.064 17.944 626 HE2 LYS 90 HE2 LYS 90 109.072 8.707 15.702 627 HE3 LYS 90 HE1 LYS 90 110.094 10.135 15.514 628 HZ1 LYS 90 HZ1 LYS 90 111.226 8.028 14.958 629 HZ2 LYS 90 HZ2 LYS 90 111.039 7.526 16.570 630 HZ3 LYS 90 HZ3 LYS 90 111.993 8.884 16.205 631 H PHE 91 HN PHE 91 110.547 4.820 21.163 632 HA PHE 91 HA PHE 91 107.600 4.608 21.081 633 HB2 PHE 91 HB2 PHE 91 108.894 2.686 21.876 634 HB3 PHE 91 HB1 PHE 91 109.579 3.661 23.164 635 HD1 PHE 91 HD1 PHE 91 106.253 2.744 21.724 636 HD2 PHE 91 HD2 PHE 91 108.516 3.634 25.264 637 HE1 PHE 91 HE1 PHE 91 104.260 2.263 23.117 638 HE2 PHE 91 HE2 PHE 91 106.521 3.152 26.658 639 HZ PHE 91 HZ PHE 91 104.394 2.469 25.580 640 H ASN 92 HN ASN 92 106.702 6.591 21.440 641 HA ASN 92 HA ASN 92 105.939 8.390 22.729 642 HB2 ASN 92 HB2 ASN 92 106.389 6.569 24.637 643 HB3 ASN 92 HB1 ASN 92 107.716 7.653 25.046 644 HD21 ASN 92 HD21 ASN 92 107.157 9.875 25.711 645 HD22 ASN 92 HD22 ASN 92 105.588 10.249 26.240 646 H ASP 93 HN ASP 93 108.233 8.496 20.985 647 HA ASP 93 HA ASP 93 109.721 10.183 20.347 648 HB2 ASP 93 HB2 ASP 93 109.588 11.489 23.047 649 HB3 ASP 93 HB1 ASP 93 109.833 12.203 21.457 650 H GLU 94 HN GLU 94 110.367 7.712 22.247 651 HA GLU 94 HA GLU 94 113.064 8.720 23.107 652 HB2 GLU 94 HB2 GLU 94 113.242 6.754 24.470 653 HB3 GLU 94 HB1 GLU 94 111.670 7.485 24.775 654 HG2 GLU 94 HG2 GLU 94 110.906 5.827 22.829 655 HG3 GLU 94 HG1 GLU 94 112.333 4.942 23.337 656 H HIS 95 HN HIS 95 114.207 8.748 21.240 657 HA HIS 95 HA HIS 95 113.945 6.837 19.129 658 HB2 HIS 95 HB2 HIS 95 116.044 7.839 18.273 659 HB3 HIS 95 HB1 HIS 95 114.884 9.074 18.763 660 HD1 HIS 95 HD1 HIS 95 115.277 10.049 21.284 661 HD2 HIS 95 HD2 HIS 95 118.496 8.047 19.551 662 HE1 HIS 95 HE1 HIS 95 117.331 10.708 22.613 663 H ILE 96 HN ILE 96 114.318 4.721 19.563 664 HA ILE 96 HA ILE 96 116.109 3.657 21.467 665 HB ILE 96 HB ILE 96 114.331 2.367 20.315 666 HG12 ILE 96 HG12 ILE 96 117.151 1.288 19.989 667 HG13 ILE 96 HG11 ILE 96 116.065 1.038 21.356 668 HG21 ILE 96 HG21 ILE 96 114.508 1.741 18.023 669 HG22 ILE 96 HG22 ILE 96 116.170 2.311 17.920 670 HG23 ILE 96 HG23 ILE 96 114.851 3.469 18.072 671 HD11 ILE 96 HD11 ILE 96 114.453 -0.013 19.621 672 HD12 ILE 96 HD12 ILE 96 115.859 -0.955 20.115 673 HD13 ILE 96 HD13 ILE 96 115.869 -0.100 18.572 674 HA PRO 97 HA PRO 97 120.067 4.805 19.700 675 HB2 PRO 97 HB2 PRO 97 121.180 2.163 20.400 676 HB3 PRO 97 HB1 PRO 97 121.629 3.760 21.017 677 HG2 PRO 97 HG2 PRO 97 120.103 1.780 22.396 678 HG3 PRO 97 HG1 PRO 97 120.372 3.451 22.912 679 HD2 PRO 97 HD2 PRO 97 117.906 2.279 21.960 680 HD3 PRO 97 HD1 PRO 97 118.179 3.953 22.475 681 H ASP 98 HN ASP 98 119.304 4.759 17.542 682 HA ASP 98 HA ASP 98 120.514 3.144 15.647 683 HB2 ASP 98 HB2 ASP 98 118.186 1.794 16.901 684 HB3 ASP 98 HB1 ASP 98 118.162 1.784 15.141 685 H SER 99 HN SER 99 117.119 4.084 16.183 686 HA SER 99 HA SER 99 116.644 4.966 13.586 687 HB2 SER 99 HB2 SER 99 114.696 4.927 14.834 688 HB3 SER 99 HB1 SER 99 115.492 5.578 16.261 689 HG SER 99 HG SER 99 115.291 7.188 13.981 690 HA PRO 100 HA PRO 100 116.046 6.337 12.104 691 HB2 PRO 100 HB2 PRO 100 116.998 7.981 10.089 692 HB3 PRO 100 HB1 PRO 100 115.691 8.428 11.196 693 HG2 PRO 100 HG2 PRO 100 118.448 9.478 11.088 694 HG3 PRO 100 HG1 PRO 100 117.035 10.149 11.916 695 HD2 PRO 100 HD2 PRO 100 119.229 8.642 13.085 696 HD3 PRO 100 HD1 PRO 100 117.828 9.349 13.917 697 H PHE 101 HN PHE 101 117.002 4.256 11.428 698 HA PHE 101 HA PHE 101 119.798 4.380 10.328 699 HB2 PHE 101 HB2 PHE 101 119.514 1.794 10.256 700 HB3 PHE 101 HB1 PHE 101 119.764 2.577 11.810 701 HD1 PHE 101 HD1 PHE 101 117.821 3.053 13.236 702 HD2 PHE 101 HD2 PHE 101 117.499 0.556 9.810 703 HE1 PHE 101 HE1 PHE 101 115.763 2.101 14.185 704 HE2 PHE 101 HE2 PHE 101 115.408 -0.420 10.728 705 HZ PHE 101 HZ PHE 101 114.531 0.350 12.916 706 H VAL 102 HN VAL 102 120.190 2.924 8.392 707 HA VAL 102 HA VAL 102 118.158 3.594 6.333 708 HB VAL 102 HB VAL 102 120.477 4.276 5.907 709 HG11 VAL 102 HG11 VAL 102 122.245 2.618 5.656 710 HG12 VAL 102 HG12 VAL 102 121.109 1.310 5.977 711 HG13 VAL 102 HG13 VAL 102 121.525 2.449 7.256 712 HG21 VAL 102 HG21 VAL 102 118.928 3.461 4.050 713 HG22 VAL 102 HG22 VAL 102 119.800 1.929 4.117 714 HG23 VAL 102 HG23 VAL 102 120.651 3.410 3.679 715 H VAL 103 HN VAL 103 117.355 2.003 4.896 716 HA VAL 103 HA VAL 103 117.752 -0.860 5.709 717 HB VAL 103 HB VAL 103 115.185 0.544 4.936 718 HG11 VAL 103 HG11 VAL 103 115.875 -2.370 5.351 719 HG12 VAL 103 HG12 VAL 103 115.077 -1.629 3.965 720 HG13 VAL 103 HG13 VAL 103 114.223 -1.769 5.501 721 HG21 VAL 103 HG21 VAL 103 115.957 -0.902 7.485 722 HG22 VAL 103 HG22 VAL 103 114.480 0.016 7.193 723 HG23 VAL 103 HG23 VAL 103 116.031 0.849 7.289 724 HA PRO 104 HA PRO 104 118.748 -0.193 1.237 725 HB2 PRO 104 HB2 PRO 104 120.528 -2.478 1.360 726 HB3 PRO 104 HB1 PRO 104 120.956 -0.770 1.187 727 HG2 PRO 104 HG2 PRO 104 121.349 -2.415 3.506 728 HG3 PRO 104 HG1 PRO 104 121.655 -0.677 3.366 729 HD2 PRO 104 HD2 PRO 104 119.463 -2.033 4.754 730 HD3 PRO 104 HD1 PRO 104 119.896 -0.311 4.794 731 H VAL 105 HN VAL 105 117.126 -0.949 -0.019 732 HA VAL 105 HA VAL 105 116.330 -3.832 0.156 733 HB VAL 105 HB VAL 105 114.890 -1.394 -0.935 734 HG11 VAL 105 HG11 VAL 105 113.473 -3.986 -0.448 735 HG12 VAL 105 HG12 VAL 105 114.444 -3.861 -1.910 736 HG13 VAL 105 HG13 VAL 105 113.126 -2.729 -1.630 737 HG21 VAL 105 HG21 VAL 105 115.219 -1.766 1.632 738 HG22 VAL 105 HG22 VAL 105 114.015 -3.034 1.425 739 HG23 VAL 105 HG23 VAL 105 113.617 -1.368 1.027 740 H ALA 106 HN ALA 106 116.481 -5.069 -1.816 741 HA ALA 106 HA ALA 106 117.728 -3.664 -4.173 742 HB1 ALA 106 HB1 ALA 106 118.631 -6.423 -3.504 743 HB2 ALA 106 HB2 ALA 106 119.179 -5.117 -2.457 744 HB3 ALA 106 HB3 ALA 106 119.531 -5.063 -4.182 745 H SER 107 HN SER 107 117.035 -4.293 -6.153 746 HA SER 107 HA SER 107 114.853 -6.293 -6.348 747 HB2 SER 107 HB2 SER 107 114.371 -5.318 -8.493 748 HB3 SER 107 HB1 SER 107 114.696 -3.966 -7.419 749 HG SER 107 HG SER 107 116.958 -4.951 -8.552 750 H LEU 108 HN LEU 108 116.440 -8.015 -5.976 751 HA LEU 108 HA LEU 108 117.780 -9.779 -6.761 752 HB2 LEU 108 HB2 LEU 108 117.404 -8.683 -9.561 753 HB3 LEU 108 HB1 LEU 108 117.704 -10.346 -9.072 754 HG LEU 108 HG LEU 108 115.172 -8.756 -8.569 755 HD11 LEU 108 HD11 LEU 108 115.487 -9.641 -10.874 756 HD12 LEU 108 HD12 LEU 108 114.150 -10.427 -10.035 757 HD13 LEU 108 HD13 LEU 108 115.696 -11.258 -10.201 758 HD21 LEU 108 HD21 LEU 108 114.393 -11.058 -7.709 759 HD22 LEU 108 HD22 LEU 108 115.463 -10.139 -6.649 760 HD23 LEU 108 HD23 LEU 108 116.105 -11.471 -7.611 761 H SER 109 HN SER 109 118.458 -6.635 -6.770 762 HA SER 109 HA SER 109 121.090 -6.715 -8.105 763 HB2 SER 109 HB2 SER 109 119.584 -4.704 -8.208 764 HB3 SER 109 HB1 SER 109 119.861 -4.493 -6.481 765 HG SER 109 HG SER 109 122.220 -4.839 -7.461 766 H ASP 110 HN ASP 110 119.671 -7.052 -4.963 767 HA ASP 110 HA ASP 110 120.659 -7.414 -2.856 768 HB2 ASP 110 HB2 ASP 110 121.727 -9.270 -4.261 769 HB3 ASP 110 HB1 ASP 110 123.124 -8.206 -4.430 770 H ASP 111 HN ASP 111 121.281 -4.980 -4.744 771 HA ASP 111 HA ASP 111 122.735 -3.459 -2.772 772 HB2 ASP 111 HB2 ASP 111 124.724 -2.965 -4.166 773 HB3 ASP 111 HB1 ASP 111 124.642 -4.677 -3.748 774 H ALA 112 HN ALA 112 121.449 -3.792 -6.070 775 HA ALA 112 HA ALA 112 120.627 -2.113 -7.543 776 HB1 ALA 112 HB1 ALA 112 119.609 -1.347 -4.809 777 HB2 ALA 112 HB2 ALA 112 118.745 -2.154 -6.119 778 HB3 ALA 112 HB3 ALA 112 119.144 -0.441 -6.250 779 H ARG 113 HN ARG 113 122.646 -1.184 -8.219 780 HA ARG 113 HA ARG 113 124.125 0.740 -6.761 781 HB2 ARG 113 HB2 ARG 113 124.457 -0.485 -9.183 782 HB3 ARG 113 HB1 ARG 113 124.000 1.123 -9.725 783 HG2 ARG 113 HG2 ARG 113 125.776 2.032 -8.138 784 HG3 ARG 113 HG1 ARG 113 126.322 0.368 -7.932 785 HD2 ARG 113 HD2 ARG 113 126.701 0.174 -10.352 786 HD3 ARG 113 HD1 ARG 113 126.123 1.824 -10.585 787 HE ARG 113 HE ARG 113 128.181 2.099 -8.750 788 HH11 ARG 113 HH21 ARG 113 127.765 0.650 -11.850 789 HH12 ARG 113 HH22 ARG 113 129.405 0.910 -12.340 790 HH21 ARG 113 HH11 ARG 113 130.323 2.450 -9.370 791 HH22 ARG 113 HH12 ARG 113 130.855 1.928 -10.934 792 H ARG 114 HN ARG 114 124.279 3.007 -8.380 793 HA ARG 114 HA ARG 114 121.549 4.230 -8.288 794 HB2 ARG 114 HB2 ARG 114 123.051 4.705 -6.212 795 HB3 ARG 114 HB1 ARG 114 124.014 5.694 -7.309 796 HG2 ARG 114 HG2 ARG 114 121.881 6.910 -7.931 797 HG3 ARG 114 HG1 ARG 114 121.084 6.037 -6.623 798 HD2 ARG 114 HD2 ARG 114 122.835 6.942 -5.054 799 HD3 ARG 114 HD1 ARG 114 123.425 7.944 -6.380 800 HE ARG 114 HE ARG 114 120.720 8.531 -6.261 801 HH11 ARG 114 HH21 ARG 114 123.370 8.465 -4.058 802 HH12 ARG 114 HH22 ARG 114 122.750 9.743 -3.065 803 HH21 ARG 114 HH11 ARG 114 119.893 10.201 -4.977 804 HH22 ARG 114 HH12 ARG 114 120.783 10.727 -3.587 805 H LEU 115 HN LEU 115 124.226 3.465 -10.013 806 HA LEU 115 HA LEU 115 123.814 5.696 -11.972 807 HB2 LEU 115 HB2 LEU 115 126.471 4.427 -11.244 808 HB3 LEU 115 HB1 LEU 115 126.212 5.672 -12.462 809 HG LEU 115 HG LEU 115 125.007 6.779 -10.179 810 HD11 LEU 115 HD11 LEU 115 125.980 5.038 -8.748 811 HD12 LEU 115 HD12 LEU 115 126.724 6.601 -8.410 812 HD13 LEU 115 HD13 LEU 115 127.588 5.403 -9.374 813 HD21 LEU 115 HD21 LEU 115 126.449 7.928 -11.845 814 HD22 LEU 115 HD22 LEU 115 127.866 7.174 -11.116 815 HD23 LEU 115 HD23 LEU 115 126.903 8.323 -10.187 816 H THR 116 HN THR 116 124.358 2.317 -11.337 817 HA THR 116 HA THR 116 124.374 1.688 -14.258 818 HB THR 116 HB THR 116 124.937 -0.121 -11.886 819 HG1 THR 116 HG1 THR 116 126.676 1.142 -13.735 820 HG21 THR 116 HG21 THR 116 125.939 -1.546 -13.751 821 HG22 THR 116 HG22 THR 116 125.102 -0.482 -14.882 822 HG23 THR 116 HG23 THR 116 124.179 -1.440 -13.724 823 H VAL 117 HN VAL 117 123.189 -0.116 -11.465 824 HA VAL 117 HA VAL 117 120.754 -0.903 -12.791 825 HB VAL 117 HB VAL 117 121.578 -0.793 -9.873 826 HG11 VAL 117 HG11 VAL 117 119.024 -1.763 -11.175 827 HG12 VAL 117 HG12 VAL 117 119.203 -0.676 -9.798 828 HG13 VAL 117 HG13 VAL 117 119.562 -2.392 -9.617 829 HG21 VAL 117 HG21 VAL 117 121.680 -3.270 -10.156 830 HG22 VAL 117 HG22 VAL 117 122.793 -2.430 -11.236 831 HG23 VAL 117 HG23 VAL 117 121.272 -3.069 -11.860 832 H THR 118 HN THR 118 121.940 1.947 -11.605 833 HA THR 118 HA THR 118 121.024 3.940 -10.792 834 HB THR 118 HB THR 118 120.849 4.182 -13.168 835 HG1 THR 118 HG1 THR 118 119.754 5.718 -11.848 836 HG21 THR 118 HG21 THR 118 118.279 2.602 -12.893 837 HG22 THR 118 HG22 THR 118 119.707 2.182 -13.836 838 HG23 THR 118 HG23 THR 118 118.691 3.532 -14.330 839 H SER 119 HN SER 119 120.232 2.407 -8.941 840 HA SER 119 HA SER 119 118.624 2.309 -7.250 841 HB2 SER 119 HB2 SER 119 116.907 3.863 -7.245 842 HB3 SER 119 HB1 SER 119 117.895 4.561 -8.528 843 HG SER 119 HG SER 119 116.603 3.459 -10.030 844 H1 MET 1 HT1 MET 1 122.100 14.692 -19.443 845 H2 MET 1 HT2 MET 1 122.164 12.997 -19.339 846 H3 MET 1 HT3 MET 1 123.284 13.948 -18.485 847 HA MET 1 HA MET 1 120.361 13.798 -17.989 848 HB2 MET 1 HB2 MET 1 121.715 11.847 -17.217 849 HB3 MET 1 HB1 MET 1 122.730 12.950 -16.291 850 HG2 MET 1 HG2 MET 1 119.750 13.009 -15.869 851 HG3 MET 1 HG1 MET 1 120.700 11.727 -15.121 852 HE1 MET 1 HE1 MET 1 122.903 12.136 -14.111 853 HE2 MET 1 HE2 MET 1 121.895 12.154 -12.668 854 HE3 MET 1 HE3 MET 1 123.164 13.359 -12.860 855 H ALA 2 HN ALA 2 123.110 14.677 -15.923 856 HA ALA 2 HA ALA 2 123.354 16.569 -14.538 857 HB1 ALA 2 HB1 ALA 2 122.491 18.056 -17.030 858 HB2 ALA 2 HB2 ALA 2 124.091 17.335 -16.851 859 HB3 ALA 2 HB3 ALA 2 123.576 18.621 -15.759 860 H SER 3 HN SER 3 121.596 16.287 -13.085 861 HA SER 3 HA SER 3 119.453 18.282 -13.390 862 HB2 SER 3 HB2 SER 3 118.543 16.278 -14.547 863 HB3 SER 3 HB1 SER 3 118.797 15.334 -13.081 864 HG SER 3 HG SER 3 117.497 17.544 -12.414 865 H LYS 4 HN LYS 4 119.161 19.181 -11.408 866 HA LYS 4 HA LYS 4 120.548 18.306 -9.110 867 HB2 LYS 4 HB2 LYS 4 118.035 19.990 -9.193 868 HB3 LYS 4 HB1 LYS 4 119.217 19.944 -7.885 869 HG2 LYS 4 HG2 LYS 4 120.948 20.843 -9.351 870 HG3 LYS 4 HG1 LYS 4 119.856 20.770 -10.732 871 HD2 LYS 4 HD2 LYS 4 119.639 23.013 -10.132 872 HD3 LYS 4 HD1 LYS 4 118.310 22.304 -9.220 873 HE2 LYS 4 HE2 LYS 4 119.411 23.650 -7.629 874 HE3 LYS 4 HE1 LYS 4 120.051 22.040 -7.305 875 HZ1 LYS 4 HZ1 LYS 4 121.702 23.001 -9.230 876 HZ2 LYS 4 HZ2 LYS 4 122.036 22.981 -7.564 877 HZ3 LYS 4 HZ3 LYS 4 121.393 24.377 -8.287 878 HA PRO 5 HA PRO 5 117.845 14.866 -8.030 879 HB2 PRO 5 HB2 PRO 5 118.582 14.895 -5.241 880 HB3 PRO 5 HB1 PRO 5 119.180 13.807 -6.501 881 HG2 PRO 5 HG2 PRO 5 120.579 16.034 -5.235 882 HG3 PRO 5 HG1 PRO 5 121.219 14.846 -6.380 883 HD2 PRO 5 HD2 PRO 5 120.641 17.604 -6.910 884 HD3 PRO 5 HD1 PRO 5 121.129 16.364 -8.088 885 H GLU 6 HN GLU 6 116.349 14.518 -5.821 886 HA GLU 6 HA GLU 6 115.173 17.052 -4.904 887 HB2 GLU 6 HB2 GLU 6 113.678 15.133 -6.716 888 HB3 GLU 6 HB1 GLU 6 112.869 16.329 -5.704 889 HG2 GLU 6 HG2 GLU 6 114.367 18.080 -6.825 890 HG3 GLU 6 HG1 GLU 6 114.786 16.824 -7.990 891 H LYS 7 HN LYS 7 116.484 14.912 -3.575 892 HA LYS 7 HA LYS 7 116.214 13.468 -1.753 893 HB2 LYS 7 HB2 LYS 7 113.612 15.002 -1.472 894 HB3 LYS 7 HB1 LYS 7 114.363 14.012 -0.222 895 HG2 LYS 7 HG2 LYS 7 116.410 15.470 -0.400 896 HG3 LYS 7 HG1 LYS 7 115.503 16.525 -1.480 897 HD2 LYS 7 HD2 LYS 7 114.425 15.807 1.251 898 HD3 LYS 7 HD1 LYS 7 115.571 17.129 1.048 899 HE2 LYS 7 HE2 LYS 7 112.874 16.878 -0.321 900 HE3 LYS 7 HE1 LYS 7 113.290 18.005 0.966 901 HZ1 LYS 7 HZ1 LYS 7 113.494 19.210 -1.013 902 HZ2 LYS 7 HZ2 LYS 7 114.306 17.949 -1.812 903 HZ3 LYS 7 HZ3 LYS 7 115.088 18.822 -0.583 904 H ARG 8 HN ARG 8 114.793 11.669 -0.890 905 HA ARG 8 HA ARG 8 113.484 10.312 -3.172 906 HB2 ARG 8 HB2 ARG 8 113.775 9.151 -0.400 907 HB3 ARG 8 HB1 ARG 8 113.794 8.323 -1.958 908 HG2 ARG 8 HG2 ARG 8 115.934 9.716 -2.426 909 HG3 ARG 8 HG1 ARG 8 115.969 9.984 -0.688 910 HD2 ARG 8 HD2 ARG 8 115.588 7.253 -0.825 911 HD3 ARG 8 HD1 ARG 8 116.611 7.533 -2.227 912 HE ARG 8 HE ARG 8 117.531 7.438 0.428 913 HH11 ARG 8 HH21 ARG 8 117.626 9.656 -2.222 914 HH12 ARG 8 HH22 ARG 8 119.023 10.487 -1.636 915 HH21 ARG 8 HH11 ARG 8 119.355 8.505 1.182 916 HH22 ARG 8 HH12 ARG 8 120.005 9.834 0.281 917 H VAL 9 HN VAL 9 111.304 9.338 -2.844 918 HA VAL 9 HA VAL 9 109.368 11.174 -1.983 919 HB VAL 9 HB VAL 9 109.326 8.174 -2.290 920 HG11 VAL 9 HG11 VAL 9 106.783 8.415 -2.080 921 HG12 VAL 9 HG12 VAL 9 107.100 9.964 -1.298 922 HG13 VAL 9 HG13 VAL 9 107.695 8.471 -0.571 923 HG21 VAL 9 HG21 VAL 9 107.982 10.460 -3.757 924 HG22 VAL 9 HG22 VAL 9 107.825 8.753 -4.174 925 HG23 VAL 9 HG23 VAL 9 109.389 9.555 -4.317 926 H ALA 10 HN ALA 10 107.962 11.082 -0.037 927 HA ALA 10 HA ALA 10 109.427 10.075 2.387 928 HB1 ALA 10 HB1 ALA 10 109.637 12.483 2.305 929 HB2 ALA 10 HB2 ALA 10 108.468 12.076 3.561 930 HB3 ALA 10 HB3 ALA 10 107.911 12.666 1.995 931 H SER 11 HN SER 11 108.188 9.157 3.993 932 HA SER 11 HA SER 11 105.222 9.028 3.593 933 HB2 SER 11 HB2 SER 11 105.816 6.914 2.762 934 HB3 SER 11 HB1 SER 11 107.184 6.758 3.857 935 HG SER 11 HG SER 11 104.487 6.244 4.253 936 H SER 12 HN SER 12 104.061 8.933 5.556 937 HA SER 12 HA SER 12 105.631 8.857 8.091 938 HB2 SER 12 HB2 SER 12 103.635 11.044 7.446 939 HB3 SER 12 HB1 SER 12 104.609 10.897 8.906 940 HG SER 12 HG SER 12 105.254 12.184 6.764 941 H VAL 13 HN VAL 13 104.661 7.275 9.225 942 HA VAL 13 HA VAL 13 101.802 7.404 9.777 943 HB VAL 13 HB VAL 13 101.669 6.203 7.699 944 HG11 VAL 13 HG11 VAL 13 102.985 4.002 7.503 945 HG12 VAL 13 HG12 VAL 13 103.967 4.610 8.835 946 HG13 VAL 13 HG13 VAL 13 103.899 5.497 7.313 947 HG21 VAL 13 HG21 VAL 13 101.644 4.033 9.799 948 HG22 VAL 13 HG22 VAL 13 100.582 4.213 8.404 949 HG23 VAL 13 HG23 VAL 13 100.430 5.312 9.774 950 H PHE 14 HN PHE 14 101.210 5.610 11.363 951 HA PHE 14 HA PHE 14 103.244 4.039 12.612 952 HB2 PHE 14 HB2 PHE 14 103.676 5.263 14.592 953 HB3 PHE 14 HB1 PHE 14 104.056 6.316 13.262 954 HD1 PHE 14 HD2 PHE 14 101.996 7.793 12.405 955 HD2 PHE 14 HD1 PHE 14 102.390 6.134 16.348 956 HE1 PHE 14 HE2 PHE 14 100.427 9.494 13.278 957 HE2 PHE 14 HE1 PHE 14 100.824 7.843 17.223 958 HZ PHE 14 HZ PHE 14 99.837 9.524 15.687 959 H ILE 15 HN ILE 15 102.486 3.964 15.220 960 HA ILE 15 HA ILE 15 99.535 3.582 15.287 961 HB ILE 15 HB ILE 15 100.079 1.392 16.555 962 HG12 ILE 15 HG12 ILE 15 102.654 2.100 16.399 963 HG13 ILE 15 HG11 ILE 15 102.172 0.410 16.378 964 HG21 ILE 15 HG21 ILE 15 100.273 0.130 14.351 965 HG22 ILE 15 HG22 ILE 15 100.379 1.706 13.567 966 HG23 ILE 15 HG23 ILE 15 98.931 1.268 14.475 967 HD11 ILE 15 HD11 ILE 15 103.856 1.300 14.572 968 HD12 ILE 15 HD12 ILE 15 102.408 1.903 13.775 969 HD13 ILE 15 HD13 ILE 15 102.583 0.181 14.091 970 H THR 16 HN THR 16 98.715 3.644 17.485 971 HA THR 16 HA THR 16 100.678 4.679 19.518 972 HB THR 16 HB THR 16 97.774 5.499 19.348 973 HG1 THR 16 HG1 THR 16 99.791 6.137 17.702 974 HG21 THR 16 HG21 THR 16 100.207 6.799 20.604 975 HG22 THR 16 HG22 THR 16 99.015 5.840 21.480 976 HG23 THR 16 HG23 THR 16 98.540 7.362 20.727 977 H LEU 17 HN LEU 17 100.670 3.602 21.424 978 HA LEU 17 HA LEU 17 98.584 1.512 21.861 979 HB2 LEU 17 HB2 LEU 17 101.107 1.899 23.483 980 HB3 LEU 17 HB1 LEU 17 100.143 0.434 23.290 981 HG LEU 17 HG LEU 17 101.843 1.781 21.172 982 HD11 LEU 17 HD11 LEU 17 103.203 -0.182 21.294 983 HD12 LEU 17 HD12 LEU 17 102.015 -1.027 22.285 984 HD13 LEU 17 HD13 LEU 17 102.930 0.320 22.962 985 HD21 LEU 17 HD21 LEU 17 99.841 -0.484 21.023 986 HD22 LEU 17 HD22 LEU 17 101.135 -0.304 19.838 987 HD23 LEU 17 HD23 LEU 17 99.923 0.963 20.018 988 H ALA 18 HN ALA 18 96.928 2.096 23.171 989 HA ALA 18 HA ALA 18 97.502 3.695 25.614 990 HB1 ALA 18 HB1 ALA 18 95.711 5.261 25.158 991 HB2 ALA 18 HB2 ALA 18 95.305 4.420 23.662 992 HB3 ALA 18 HB3 ALA 18 96.837 5.283 23.802 993 HA PRO 19 HA PRO 19 94.626 0.075 26.179 994 HB2 PRO 19 HB2 PRO 19 95.808 -0.195 28.840 995 HB3 PRO 19 HB1 PRO 19 95.858 -1.345 27.496 996 HG2 PRO 19 HG2 PRO 19 98.036 0.231 28.450 997 HG3 PRO 19 HG1 PRO 19 98.010 -0.751 26.977 998 HD2 PRO 19 HD2 PRO 19 97.915 2.163 27.224 999 HD3 PRO 19 HD1 PRO 19 98.114 1.188 25.752 1000 HA PRO 20 HA PRO 20 91.560 2.185 28.513 1001 HB2 PRO 20 HB2 PRO 20 91.193 0.217 30.642 1002 HB3 PRO 20 HB1 PRO 20 90.127 0.571 29.275 1003 HG2 PRO 20 HG2 PRO 20 91.826 -1.733 29.606 1004 HG3 PRO 20 HG1 PRO 20 90.813 -1.340 28.210 1005 HD2 PRO 20 HD2 PRO 20 93.694 -1.248 28.366 1006 HD3 PRO 20 HD1 PRO 20 92.672 -0.821 26.980 1007 H ARG 21 HN ARG 21 91.731 3.824 29.987 1008 HA ARG 21 HA ARG 21 93.977 3.735 31.937 1009 HB2 ARG 21 HB2 ARG 21 93.618 5.676 30.309 1010 HB3 ARG 21 HB1 ARG 21 92.189 6.083 31.256 1011 HG2 ARG 21 HG2 ARG 21 93.803 7.415 32.280 1012 HG3 ARG 21 HG1 ARG 21 93.851 5.983 33.303 1013 HD2 ARG 21 HD2 ARG 21 95.680 5.246 31.440 1014 HD3 ARG 21 HD1 ARG 21 95.885 6.993 31.358 1015 HE ARG 21 HE ARG 21 96.936 5.327 33.384 1016 HH11 ARG 21 HH21 ARG 21 95.034 8.198 33.119 1017 HH12 ARG 21 HH22 ARG 21 95.351 8.705 34.740 1018 HH21 ARG 21 HH11 ARG 21 97.367 5.992 35.483 1019 HH22 ARG 21 HH12 ARG 21 96.675 7.466 36.074 1020 H ARG 22 HN ARG 22 93.609 3.700 34.135 1021 HA ARG 22 HA ARG 22 91.004 4.449 35.248 1022 HB2 ARG 22 HB2 ARG 22 90.721 2.183 36.355 1023 HB3 ARG 22 HB1 ARG 22 90.410 2.206 34.619 1024 HG2 ARG 22 HG2 ARG 22 92.447 1.136 34.112 1025 HG3 ARG 22 HG1 ARG 22 93.165 1.552 35.658 1026 HD2 ARG 22 HD2 ARG 22 92.317 -0.303 36.680 1027 HD3 ARG 22 HD1 ARG 22 90.727 -0.104 35.959 1028 HE ARG 22 HE ARG 22 92.757 -1.953 35.140 1029 HH11 ARG 22 HH21 ARG 22 90.577 0.349 33.778 1030 HH12 ARG 22 HH22 ARG 22 90.573 -0.396 32.215 1031 HH21 ARG 22 HH11 ARG 22 92.760 -2.927 33.120 1032 HH22 ARG 22 HH12 ARG 22 91.810 -2.247 31.841 1033 H ASP 23 HN ASP 23 93.346 5.669 35.800 1034 HA ASP 23 HA ASP 23 93.717 5.054 38.642 1035 HB2 ASP 23 HB2 ASP 23 95.969 4.717 36.642 1036 HB3 ASP 23 HB1 ASP 23 96.233 4.901 38.377 1037 H VAL 24 HN VAL 24 92.625 7.316 37.523 1038 HA VAL 24 HA VAL 24 94.619 9.381 37.068 1039 HB VAL 24 HB VAL 24 92.317 9.526 36.149 1040 HG11 VAL 24 HG11 VAL 24 90.422 9.876 37.567 1041 HG12 VAL 24 HG12 VAL 24 91.442 10.090 38.990 1042 HG13 VAL 24 HG13 VAL 24 91.286 8.497 38.248 1043 HG21 VAL 24 HG21 VAL 24 93.709 11.574 36.615 1044 HG22 VAL 24 HG22 VAL 24 92.872 11.728 38.160 1045 HG23 VAL 24 HG23 VAL 24 91.972 11.874 36.650 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 112.380 9.851 41.901 2 H2 GLY 1 HT2 GLY 1 111.006 8.861 41.771 3 H3 GLY 1 HT3 GLY 1 111.994 9.127 40.415 4 HA2 GLY 1 HA2 GLY 1 112.081 6.908 42.051 5 HA3 GLY 1 HA1 GLY 1 113.457 7.565 41.120 6 H ILE 2 HN ILE 2 114.289 5.990 42.866 7 HA ILE 2 HA ILE 2 116.480 7.812 43.563 8 HB ILE 2 HB ILE 2 115.387 6.018 45.749 9 HG12 ILE 2 HG12 ILE 2 113.569 7.657 45.090 10 HG13 ILE 2 HG11 ILE 2 114.136 7.805 46.740 11 HG21 ILE 2 HG21 ILE 2 117.638 6.811 46.061 12 HG22 ILE 2 HG22 ILE 2 116.595 7.701 47.170 13 HG23 ILE 2 HG23 ILE 2 117.167 8.468 45.690 14 HD11 ILE 2 HD11 ILE 2 113.934 9.899 44.956 15 HD12 ILE 2 HD12 ILE 2 115.648 9.506 44.865 16 HD13 ILE 2 HD13 ILE 2 114.916 9.901 46.416 17 HA PRO 3 HA PRO 3 117.040 3.175 42.329 18 HB2 PRO 3 HB2 PRO 3 118.572 4.056 40.050 19 HB3 PRO 3 HB1 PRO 3 117.024 3.198 40.039 20 HG2 PRO 3 HG2 PRO 3 117.545 6.045 39.508 21 HG3 PRO 3 HG1 PRO 3 116.070 5.112 39.202 22 HD2 PRO 3 HD2 PRO 3 116.370 7.048 41.227 23 HD3 PRO 3 HD1 PRO 3 115.102 5.802 41.156 24 H GLU 4 HN GLU 4 119.450 5.478 41.176 25 HA GLU 4 HA GLU 4 121.679 5.839 41.937 26 HB2 GLU 4 HB2 GLU 4 120.385 5.641 44.317 27 HB3 GLU 4 HB1 GLU 4 121.265 4.116 44.383 28 HG2 GLU 4 HG2 GLU 4 122.469 6.874 44.007 29 HG3 GLU 4 HG1 GLU 4 122.610 5.849 45.436 30 H PHE 5 HN PHE 5 120.207 2.770 42.733 31 HA PHE 5 HA PHE 5 122.217 0.896 42.225 32 HB2 PHE 5 HB2 PHE 5 119.202 1.084 42.121 33 HB3 PHE 5 HB1 PHE 5 119.934 -0.302 41.271 34 HD1 PHE 5 HD2 PHE 5 119.802 1.443 44.569 35 HD2 PHE 5 HD1 PHE 5 120.781 -2.175 42.470 36 HE1 PHE 5 HE2 PHE 5 120.105 0.270 46.733 37 HE2 PHE 5 HE1 PHE 5 121.084 -3.348 44.634 38 HZ PHE 5 HZ PHE 5 120.745 -2.125 46.765 39 H PHE 6 HN PHE 6 120.306 2.937 40.225 40 HA PHE 6 HA PHE 6 121.045 3.759 38.102 41 HB2 PHE 6 HB2 PHE 6 122.251 2.559 36.533 42 HB3 PHE 6 HB1 PHE 6 122.938 2.021 38.048 43 HD1 PHE 6 HD1 PHE 6 120.204 0.162 38.517 44 HD2 PHE 6 HD2 PHE 6 123.200 0.588 35.451 45 HE1 PHE 6 HE1 PHE 6 119.782 -2.147 37.779 46 HE2 PHE 6 HE2 PHE 6 122.763 -1.736 34.724 47 HZ PHE 6 HZ PHE 6 121.058 -3.103 35.885 48 H GLN 7 HN GLN 7 120.498 2.014 35.802 49 HA GLN 7 HA GLN 7 118.633 1.171 34.601 50 HB2 GLN 7 HB2 GLN 7 117.875 0.365 37.065 51 HB3 GLN 7 HB1 GLN 7 116.721 1.684 36.878 52 HG2 GLN 7 HG2 GLN 7 115.905 0.712 34.782 53 HG3 GLN 7 HG1 GLN 7 117.101 -0.580 34.893 54 HE21 GLN 7 HE21 GLN 7 116.418 -2.449 35.955 55 HE22 GLN 7 HE22 GLN 7 115.080 -2.540 36.995 56 H PHE 8 HN PHE 8 119.312 3.936 36.101 57 HA PHE 8 HA PHE 8 117.793 5.556 34.213 58 HB2 PHE 8 HB2 PHE 8 116.348 5.298 36.333 59 HB3 PHE 8 HB1 PHE 8 117.596 6.240 37.150 60 HD1 PHE 8 HD1 PHE 8 115.059 6.292 34.450 61 HD2 PHE 8 HD2 PHE 8 117.851 8.601 36.756 62 HE1 PHE 8 HE1 PHE 8 114.066 8.382 33.558 63 HE2 PHE 8 HE2 PHE 8 116.857 10.692 35.864 64 HZ PHE 8 HZ PHE 8 114.965 10.582 34.265 65 H THR 9 HN THR 9 119.997 5.341 36.908 66 HA THR 9 HA THR 9 121.448 7.779 36.073 67 HB THR 9 HB THR 9 122.303 5.742 38.154 68 HG1 THR 9 HG1 THR 9 121.237 7.300 39.598 69 HG21 THR 9 HG21 THR 9 124.016 7.344 37.578 70 HG22 THR 9 HG22 THR 9 123.357 7.803 39.147 71 HG23 THR 9 HG23 THR 9 122.873 8.682 37.697 72 H VAL 10 HN VAL 10 121.086 4.750 35.013 73 HA VAL 10 HA VAL 10 123.442 3.419 34.657 74 HB VAL 10 HB VAL 10 121.391 2.639 33.674 75 HG11 VAL 10 HG11 VAL 10 120.596 3.743 31.498 76 HG12 VAL 10 HG12 VAL 10 121.542 5.132 32.010 77 HG13 VAL 10 HG13 VAL 10 120.220 4.558 33.013 78 HG21 VAL 10 HG21 VAL 10 122.189 1.877 31.517 79 HG22 VAL 10 HG22 VAL 10 123.559 1.946 32.624 80 HG23 VAL 10 HG23 VAL 10 123.331 3.214 31.425 81 H GLY 11 HN GLY 11 122.522 6.437 33.145 82 HA2 GLY 11 HA2 GLY 11 124.817 7.768 32.819 83 HA3 GLY 11 HA1 GLY 11 125.045 6.558 31.562 84 HA PRO 12 HA PRO 12 122.609 9.000 28.762 85 HB2 PRO 12 HB2 PRO 12 121.076 7.006 27.516 86 HB3 PRO 12 HB1 PRO 12 122.745 7.411 27.089 87 HG2 PRO 12 HG2 PRO 12 121.723 5.119 28.701 88 HG3 PRO 12 HG1 PRO 12 123.161 5.212 27.677 89 HD2 PRO 12 HD2 PRO 12 123.223 5.304 30.446 90 HD3 PRO 12 HD1 PRO 12 124.486 5.980 29.402 91 H LEU 13 HN LEU 13 121.665 8.850 31.366 92 HA LEU 13 HA LEU 13 119.748 8.755 32.756 93 HB2 LEU 13 HB2 LEU 13 118.101 10.561 31.900 94 HB3 LEU 13 HB1 LEU 13 119.743 11.047 32.294 95 HG LEU 13 HG LEU 13 119.159 10.218 29.460 96 HD11 LEU 13 HD11 LEU 13 118.451 12.510 28.903 97 HD12 LEU 13 HD12 LEU 13 118.458 12.925 30.617 98 HD13 LEU 13 HD13 LEU 13 117.308 11.738 30.002 99 HD21 LEU 13 HD21 LEU 13 121.466 10.787 30.035 100 HD22 LEU 13 HD22 LEU 13 120.943 12.304 30.760 101 HD23 LEU 13 HD23 LEU 13 120.805 12.065 29.020 102 H GLY 14 HN GLY 14 119.573 6.473 31.279 103 HA2 GLY 14 HA2 GLY 14 117.975 4.851 30.712 104 HA3 GLY 14 HA1 GLY 14 116.729 5.985 31.251 105 H GLU 15 HN GLU 15 117.483 8.131 29.475 106 HA GLU 15 HA GLU 15 116.855 8.892 27.361 107 HB2 GLU 15 HB2 GLU 15 118.931 7.622 26.793 108 HB3 GLU 15 HB1 GLU 15 117.940 6.200 26.478 109 HG2 GLU 15 HG2 GLU 15 116.888 7.202 24.606 110 HG3 GLU 15 HG1 GLU 15 117.387 8.823 25.085 111 H GLY 16 HN GLY 16 115.277 6.633 28.990 112 HA2 GLY 16 HA2 GLY 16 112.978 6.132 28.839 113 HA3 GLY 16 HA1 GLY 16 112.973 6.695 27.167 114 H GLY 17 HN GLY 17 111.682 4.681 26.851 115 HA2 GLY 17 HA2 GLY 17 112.457 2.064 27.269 116 HA3 GLY 17 HA1 GLY 17 111.578 2.570 25.829 117 H ALA 18 HN ALA 18 114.175 4.355 25.422 118 HA ALA 18 HA ALA 18 115.328 2.916 23.331 119 HB1 ALA 18 HB1 ALA 18 117.497 4.251 24.030 120 HB2 ALA 18 HB2 ALA 18 116.413 4.994 25.205 121 HB3 ALA 18 HB3 ALA 18 116.072 5.135 23.485 122 H HIS 19 HN HIS 19 115.428 2.054 26.606 123 HA HIS 19 HA HIS 19 117.913 0.431 26.256 124 HB2 HIS 19 HB2 HIS 19 117.909 1.822 28.239 125 HB3 HIS 19 HB1 HIS 19 116.322 1.217 28.710 126 HD1 HIS 19 HD1 HIS 19 119.817 -0.168 28.038 127 HD2 HIS 19 HD2 HIS 19 116.467 -0.986 30.380 128 HE1 HIS 19 HE1 HIS 19 120.443 -2.119 29.527 129 H LYS 20 HN LYS 20 114.435 0.160 26.869 130 HA LYS 20 HA LYS 20 114.697 -2.809 27.097 131 HB2 LYS 20 HB2 LYS 20 112.463 -2.793 27.970 132 HB3 LYS 20 HB1 LYS 20 113.358 -1.514 28.786 133 HG2 LYS 20 HG2 LYS 20 111.606 -0.158 28.192 134 HG3 LYS 20 HG1 LYS 20 112.336 -0.155 26.592 135 HD2 LYS 20 HD2 LYS 20 110.958 -2.246 26.094 136 HD3 LYS 20 HD1 LYS 20 110.095 -1.925 27.596 137 HE2 LYS 20 HE2 LYS 20 108.775 -0.846 25.972 138 HE3 LYS 20 HE1 LYS 20 109.748 0.465 26.636 139 HZ1 LYS 20 HZ1 LYS 20 109.715 0.483 24.208 140 HZ2 LYS 20 HZ2 LYS 20 110.398 -1.073 24.179 141 HZ3 LYS 20 HZ3 LYS 20 111.283 0.235 24.806 142 H VAL 21 HN VAL 21 113.849 -0.395 24.798 143 HA VAL 21 HA VAL 21 111.921 -1.973 23.327 144 HB VAL 21 HB VAL 21 112.189 0.521 23.128 145 HG11 VAL 21 HG11 VAL 21 114.798 0.207 22.940 146 HG12 VAL 21 HG12 VAL 21 114.009 1.494 22.034 147 HG13 VAL 21 HG13 VAL 21 114.461 0.000 21.220 148 HG21 VAL 21 HG21 VAL 21 112.480 -1.025 20.531 149 HG22 VAL 21 HG22 VAL 21 111.736 0.563 20.722 150 HG23 VAL 21 HG23 VAL 21 110.978 -0.859 21.440 151 H ARG 22 HN ARG 22 112.405 -3.843 22.398 152 HA ARG 22 HA ARG 22 115.152 -4.319 21.319 153 HB2 ARG 22 HB2 ARG 22 114.373 -5.961 22.955 154 HB3 ARG 22 HB1 ARG 22 112.896 -6.210 22.031 155 HG2 ARG 22 HG2 ARG 22 114.566 -8.007 21.622 156 HG3 ARG 22 HG1 ARG 22 114.197 -7.117 20.149 157 HD2 ARG 22 HD2 ARG 22 116.265 -6.010 20.148 158 HD3 ARG 22 HD1 ARG 22 116.512 -6.259 21.877 159 HE ARG 22 HE ARG 22 116.502 -8.825 20.831 160 HH11 ARG 22 HH21 ARG 22 118.154 -5.867 20.195 161 HH12 ARG 22 HH22 ARG 22 119.606 -6.641 19.652 162 HH21 ARG 22 HH11 ARG 22 118.387 -9.852 20.127 163 HH22 ARG 22 HH12 ARG 22 119.738 -8.897 19.614 164 H ALA 23 HN ALA 23 115.430 -4.774 19.142 165 HA ALA 23 HA ALA 23 113.021 -5.124 17.432 166 HB1 ALA 23 HB1 ALA 23 113.541 -2.672 17.517 167 HB2 ALA 23 HB2 ALA 23 113.709 -3.361 15.902 168 HB3 ALA 23 HB3 ALA 23 115.143 -3.029 16.873 169 H GLY 24 HN GLY 24 113.489 -6.989 16.399 170 HA2 GLY 24 HA2 GLY 24 115.982 -7.203 14.852 171 HA3 GLY 24 HA1 GLY 24 115.806 -8.397 16.139 172 H GLY 25 HN GLY 25 115.491 -8.209 12.948 173 HA2 GLY 25 HA2 GLY 25 113.852 -10.527 12.701 174 HA3 GLY 25 HA1 GLY 25 112.866 -9.114 12.331 175 H THR 26 HN THR 26 113.001 -10.562 10.203 176 HA THR 26 HA THR 26 115.429 -10.192 8.625 177 HB THR 26 HB THR 26 113.893 -11.040 6.754 178 HG1 THR 26 HG1 THR 26 111.868 -11.180 7.217 179 HG21 THR 26 HG21 THR 26 114.235 -12.666 9.287 180 HG22 THR 26 HG22 THR 26 115.397 -12.532 7.967 181 HG23 THR 26 HG23 THR 26 113.852 -13.341 7.703 182 H GLY 27 HN GLY 27 112.436 -8.470 9.125 183 HA2 GLY 27 HA2 GLY 27 112.558 -6.877 6.719 184 HA3 GLY 27 HA1 GLY 27 111.593 -6.504 8.148 185 H LEU 28 HN LEU 28 114.389 -6.913 9.566 186 HA LEU 28 HA LEU 28 115.076 -4.031 9.449 187 HB2 LEU 28 HB2 LEU 28 115.743 -6.322 11.292 188 HB3 LEU 28 HB1 LEU 28 116.718 -4.857 11.331 189 HG LEU 28 HG LEU 28 113.708 -4.658 11.487 190 HD11 LEU 28 HD11 LEU 28 114.395 -6.292 13.217 191 HD12 LEU 28 HD12 LEU 28 113.854 -4.777 13.939 192 HD13 LEU 28 HD13 LEU 28 115.576 -5.135 13.829 193 HD21 LEU 28 HD21 LEU 28 114.342 -2.652 12.880 194 HD22 LEU 28 HD22 LEU 28 114.917 -2.561 11.218 195 HD23 LEU 28 HD23 LEU 28 116.032 -2.988 12.515 196 H GLU 29 HN GLU 29 115.996 -6.854 7.901 197 HA GLU 29 HA GLU 29 118.850 -6.065 7.618 198 HB2 GLU 29 HB2 GLU 29 117.480 -8.444 6.350 199 HB3 GLU 29 HB1 GLU 29 119.201 -8.220 6.670 200 HG2 GLU 29 HG2 GLU 29 118.725 -8.211 9.112 201 HG3 GLU 29 HG1 GLU 29 117.025 -8.510 8.762 202 H ARG 30 HN ARG 30 116.038 -6.798 5.492 203 HA ARG 30 HA ARG 30 116.586 -4.566 3.764 204 HB2 ARG 30 HB2 ARG 30 117.286 -5.991 1.754 205 HB3 ARG 30 HB1 ARG 30 118.519 -5.734 2.988 206 HG2 ARG 30 HG2 ARG 30 118.117 -7.909 3.949 207 HG3 ARG 30 HG1 ARG 30 116.704 -8.156 2.923 208 HD2 ARG 30 HD2 ARG 30 118.209 -8.011 0.920 209 HD3 ARG 30 HD1 ARG 30 119.589 -7.949 2.016 210 HE ARG 30 HE ARG 30 118.208 -10.220 2.808 211 HH11 ARG 30 HH21 ARG 30 119.485 -8.960 -0.136 212 HH12 ARG 30 HH22 ARG 30 119.810 -10.519 -0.816 213 HH21 ARG 30 HH11 ARG 30 118.623 -12.261 1.938 214 HH22 ARG 30 HH12 ARG 30 119.322 -12.389 0.358 215 H GLY 31 HN GLY 31 115.504 -5.245 1.413 216 HA2 GLY 31 HA2 GLY 31 113.149 -6.979 1.797 217 HA3 GLY 31 HA1 GLY 31 112.807 -5.262 1.565 218 H VAL 32 HN VAL 32 111.782 -6.723 -0.410 219 HA VAL 32 HA VAL 32 113.682 -6.291 -2.680 220 HB VAL 32 HB VAL 32 112.020 -8.732 -2.096 221 HG11 VAL 32 HG11 VAL 32 113.147 -7.756 -4.712 222 HG12 VAL 32 HG12 VAL 32 111.556 -8.427 -4.385 223 HG13 VAL 32 HG13 VAL 32 112.967 -9.482 -4.405 224 HG21 VAL 32 HG21 VAL 32 114.234 -9.853 -2.535 225 HG22 VAL 32 HG22 VAL 32 114.219 -8.801 -1.121 226 HG23 VAL 32 HG23 VAL 32 114.958 -8.249 -2.621 227 H ALA 33 HN ALA 33 112.724 -5.744 -4.657 228 HA ALA 33 HA ALA 33 110.717 -3.913 -4.774 229 HB1 ALA 33 HB1 ALA 33 111.443 -4.064 -6.925 230 HB2 ALA 33 HB2 ALA 33 110.276 -5.362 -7.152 231 HB3 ALA 33 HB3 ALA 33 111.935 -5.740 -6.695 232 H GLY 34 HN GLY 34 108.752 -3.926 -3.925 233 HA2 GLY 34 HA2 GLY 34 106.576 -4.545 -3.394 234 HA3 GLY 34 HA1 GLY 34 106.593 -5.366 -4.950 235 H VAL 35 HN VAL 35 108.318 -6.008 -1.884 236 HA VAL 35 HA VAL 35 107.046 -8.711 -1.863 237 HB VAL 35 HB VAL 35 109.927 -7.962 -1.393 238 HG11 VAL 35 HG11 VAL 35 110.153 -10.448 -0.800 239 HG12 VAL 35 HG12 VAL 35 108.406 -10.441 -0.557 240 HG13 VAL 35 HG13 VAL 35 109.438 -9.415 0.439 241 HG21 VAL 35 HG21 VAL 35 109.331 -8.472 -3.700 242 HG22 VAL 35 HG22 VAL 35 108.489 -9.937 -3.200 243 HG23 VAL 35 HG23 VAL 35 110.239 -9.836 -3.050 244 HA PRO 36 HA PRO 36 105.957 -6.565 2.044 245 HB2 PRO 36 HB2 PRO 36 104.194 -8.845 2.592 246 HB3 PRO 36 HB1 PRO 36 103.762 -7.148 2.335 247 HG2 PRO 36 HG2 PRO 36 103.316 -9.268 0.506 248 HG3 PRO 36 HG1 PRO 36 103.181 -7.539 0.148 249 HD2 PRO 36 HD2 PRO 36 105.264 -9.424 -0.694 250 HD3 PRO 36 HD1 PRO 36 104.981 -7.764 -1.264 251 H ALA 37 HN ALA 37 106.581 -7.004 4.207 252 HA ALA 37 HA ALA 37 107.534 -9.688 4.935 253 HB1 ALA 37 HB1 ALA 37 109.530 -9.052 3.824 254 HB2 ALA 37 HB2 ALA 37 109.848 -8.687 5.520 255 HB3 ALA 37 HB3 ALA 37 109.422 -7.390 4.403 256 H GLU 38 HN GLU 38 109.025 -9.028 7.176 257 HA GLU 38 HA GLU 38 107.857 -6.882 8.695 258 HB2 GLU 38 HB2 GLU 38 106.376 -8.066 10.145 259 HB3 GLU 38 HB1 GLU 38 105.940 -8.574 8.514 260 HG2 GLU 38 HG2 GLU 38 107.598 -10.529 8.897 261 HG3 GLU 38 HG1 GLU 38 107.500 -10.094 10.606 262 H PHE 39 HN PHE 39 108.396 -7.079 11.045 263 HA PHE 39 HA PHE 39 110.598 -8.941 11.670 264 HB2 PHE 39 HB2 PHE 39 111.951 -6.994 12.615 265 HB3 PHE 39 HB1 PHE 39 111.933 -7.134 10.863 266 HD1 PHE 39 HD2 PHE 39 109.942 -5.797 9.673 267 HD2 PHE 39 HD1 PHE 39 111.548 -4.892 13.551 268 HE1 PHE 39 HE2 PHE 39 109.092 -3.479 9.482 269 HE2 PHE 39 HE1 PHE 39 110.721 -2.568 13.348 270 HZ PHE 39 HZ PHE 39 109.483 -1.862 11.320 271 H SER 40 HN SER 40 111.241 -8.238 14.127 272 HA SER 40 HA SER 40 108.601 -8.131 15.546 273 HB2 SER 40 HB2 SER 40 111.218 -9.209 16.611 274 HB3 SER 40 HB1 SER 40 109.608 -9.433 17.289 275 HG SER 40 HG SER 40 109.339 -10.269 14.892 276 H ILE 41 HN ILE 41 108.397 -6.888 17.443 277 HA ILE 41 HA ILE 41 110.615 -5.096 18.236 278 HB ILE 41 HB ILE 41 107.888 -3.964 17.565 279 HG12 ILE 41 HG12 ILE 41 110.430 -4.019 15.910 280 HG13 ILE 41 HG11 ILE 41 108.856 -4.677 15.463 281 HG21 ILE 41 HG21 ILE 41 110.541 -2.552 17.921 282 HG22 ILE 41 HG22 ILE 41 109.441 -2.847 19.267 283 HG23 ILE 41 HG23 ILE 41 108.927 -1.841 17.914 284 HD11 ILE 41 HD11 ILE 41 109.804 -1.854 15.445 285 HD12 ILE 41 HD12 ILE 41 108.132 -2.106 15.950 286 HD13 ILE 41 HD13 ILE 41 108.670 -2.664 14.372 287 H TRP 42 HN TRP 42 110.580 -6.121 20.284 288 HA TRP 42 HA TRP 42 108.019 -6.297 21.750 289 HB2 TRP 42 HB2 TRP 42 109.317 -8.168 22.240 290 HB3 TRP 42 HB1 TRP 42 110.823 -7.271 22.153 291 HD1 TRP 42 HD1 TRP 42 111.220 -5.489 24.284 292 HE1 TRP 42 HE1 TRP 42 110.691 -5.862 26.779 293 HE3 TRP 42 HE3 TRP 42 107.860 -9.319 23.914 294 HZ2 TRP 42 HZ2 TRP 42 109.062 -7.560 28.403 295 HZ3 TRP 42 HZ3 TRP 42 106.841 -10.296 25.951 296 HH2 TRP 42 HH2 TRP 42 107.436 -9.421 28.192 297 H THR 43 HN THR 43 107.422 -4.898 23.390 298 HA THR 43 HA THR 43 109.291 -3.087 24.672 299 HB THR 43 HB THR 43 109.273 -1.660 22.834 300 HG1 THR 43 HG1 THR 43 107.426 -0.157 23.212 301 HG21 THR 43 HG21 THR 43 107.937 -2.898 21.314 302 HG22 THR 43 HG22 THR 43 107.122 -1.342 21.467 303 HG23 THR 43 HG23 THR 43 106.503 -2.751 22.329 304 H ARG 44 HN ARG 44 108.432 -3.132 26.696 305 HA ARG 44 HA ARG 44 105.762 -2.152 27.204 306 HB2 ARG 44 HB2 ARG 44 104.778 -4.208 28.108 307 HB3 ARG 44 HB1 ARG 44 105.206 -4.435 26.418 308 HG2 ARG 44 HG2 ARG 44 106.036 -6.390 27.433 309 HG3 ARG 44 HG1 ARG 44 107.459 -5.366 27.293 310 HD2 ARG 44 HD2 ARG 44 107.685 -5.181 29.573 311 HD3 ARG 44 HD1 ARG 44 105.951 -5.033 29.842 312 HE ARG 44 HE ARG 44 106.304 -7.686 29.099 313 HH11 ARG 44 HH21 ARG 44 107.588 -5.520 31.454 314 HH12 ARG 44 HH22 ARG 44 107.884 -6.760 32.627 315 HH21 ARG 44 HH11 ARG 44 106.683 -9.318 30.617 316 HH22 ARG 44 HH12 ARG 44 107.372 -8.910 32.153 317 H GLU 45 HN GLU 45 108.851 -3.198 28.169 318 HA GLU 45 HA GLU 45 108.465 -3.400 31.002 319 HB2 GLU 45 HB2 GLU 45 110.538 -4.049 29.591 320 HB3 GLU 45 HB1 GLU 45 110.990 -2.349 29.718 321 HG2 GLU 45 HG2 GLU 45 110.688 -2.602 32.245 322 HG3 GLU 45 HG1 GLU 45 110.624 -4.342 31.961 323 H ALA 46 HN ALA 46 109.391 -0.640 28.925 324 HA ALA 46 HA ALA 46 109.702 1.282 30.981 325 HB1 ALA 46 HB1 ALA 46 110.278 1.714 28.604 326 HB2 ALA 46 HB2 ALA 46 109.228 2.969 29.257 327 HB3 ALA 46 HB3 ALA 46 108.561 1.723 28.205 328 H GLY 47 HN GLY 47 106.801 0.454 29.083 329 HA2 GLY 47 HA2 GLY 47 104.786 0.224 30.744 330 HA3 GLY 47 HA1 GLY 47 105.124 1.924 31.064 331 H ALA 48 HN ALA 48 103.047 2.511 30.210 332 HA ALA 48 HA ALA 48 102.462 1.915 27.380 333 HB1 ALA 48 HB1 ALA 48 100.537 1.965 28.793 334 HB2 ALA 48 HB2 ALA 48 100.476 3.463 27.864 335 HB3 ALA 48 HB3 ALA 48 101.033 3.485 29.537 336 H GLY 49 HN GLY 49 102.215 3.654 25.790 337 HA2 GLY 49 HA2 GLY 49 102.909 6.372 26.270 338 HA3 GLY 49 HA1 GLY 49 104.372 5.516 25.779 339 H GLY 50 HN GLY 50 104.629 6.332 23.702 340 HA2 GLY 50 HA2 GLY 50 102.520 5.556 21.729 341 HA3 GLY 50 HA1 GLY 50 103.149 7.205 21.718 342 H LEU 51 HN LEU 51 103.454 5.662 19.465 343 HA LEU 51 HA LEU 51 106.413 5.346 19.367 344 HB2 LEU 51 HB2 LEU 51 105.418 3.077 19.730 345 HB3 LEU 51 HB1 LEU 51 104.452 3.301 18.276 346 HG LEU 51 HG LEU 51 106.589 3.615 16.979 347 HD11 LEU 51 HD11 LEU 51 108.617 2.532 18.260 348 HD12 LEU 51 HD12 LEU 51 107.742 3.041 19.704 349 HD13 LEU 51 HD13 LEU 51 108.247 4.235 18.509 350 HD21 LEU 51 HD21 LEU 51 105.532 1.471 16.864 351 HD22 LEU 51 HD22 LEU 51 106.077 1.041 18.485 352 HD23 LEU 51 HD23 LEU 51 107.240 1.153 17.165 353 H SER 52 HN SER 52 106.829 6.979 17.956 354 HA SER 52 HA SER 52 105.025 7.471 15.662 355 HB2 SER 52 HB2 SER 52 107.610 8.932 16.133 356 HB3 SER 52 HB1 SER 52 106.117 9.525 15.413 357 HG SER 52 HG SER 52 105.215 9.676 17.394 358 H ILE 53 HN ILE 53 105.670 7.079 13.461 359 HA ILE 53 HA ILE 53 108.372 5.847 13.088 360 HB ILE 53 HB ILE 53 105.822 4.766 11.849 361 HG12 ILE 53 HG12 ILE 53 107.468 3.546 14.090 362 HG13 ILE 53 HG11 ILE 53 105.962 4.422 14.354 363 HG21 ILE 53 HG21 ILE 53 107.752 4.316 10.489 364 HG22 ILE 53 HG22 ILE 53 107.397 2.829 11.367 365 HG23 ILE 53 HG23 ILE 53 108.714 3.870 11.896 366 HD11 ILE 53 HD11 ILE 53 106.285 1.937 12.649 367 HD12 ILE 53 HD12 ILE 53 104.782 2.832 12.869 368 HD13 ILE 53 HD13 ILE 53 105.526 2.009 14.240 369 H ALA 54 HN ALA 54 109.280 7.422 11.832 370 HA ALA 54 HA ALA 54 107.693 8.637 9.628 371 HB1 ALA 54 HB1 ALA 54 109.063 10.058 11.234 372 HB2 ALA 54 HB2 ALA 54 109.419 10.307 9.525 373 HB3 ALA 54 HB3 ALA 54 110.504 9.335 10.519 374 H VAL 55 HN VAL 55 107.747 7.308 7.872 375 HA VAL 55 HA VAL 55 110.257 5.873 7.181 376 HB VAL 55 HB VAL 55 108.581 5.010 5.298 377 HG11 VAL 55 HG11 VAL 55 107.866 3.215 6.812 378 HG12 VAL 55 HG12 VAL 55 108.281 4.207 8.209 379 HG13 VAL 55 HG13 VAL 55 109.550 3.635 7.126 380 HG21 VAL 55 HG21 VAL 55 106.279 5.142 5.859 381 HG22 VAL 55 HG22 VAL 55 106.882 6.781 6.100 382 HG23 VAL 55 HG23 VAL 55 106.620 5.724 7.488 383 H GLU 56 HN GLU 56 111.384 6.297 5.300 384 HA GLU 56 HA GLU 56 110.322 8.322 3.413 385 HB2 GLU 56 HB2 GLU 56 111.569 9.830 4.681 386 HB3 GLU 56 HB1 GLU 56 112.768 8.628 5.134 387 HG2 GLU 56 HG2 GLU 56 113.878 8.782 3.051 388 HG3 GLU 56 HG1 GLU 56 112.491 9.489 2.264 389 H GLY 57 HN GLY 57 111.043 7.976 1.303 390 HA2 GLY 57 HA2 GLY 57 113.263 6.598 0.384 391 HA3 GLY 57 HA1 GLY 57 112.096 5.331 0.757 392 HA PRO 58 HA PRO 58 111.464 6.986 -3.592 393 HB2 PRO 58 HB2 PRO 58 111.145 4.178 -4.374 394 HB3 PRO 58 HB1 PRO 58 112.318 5.382 -4.919 395 HG2 PRO 58 HG2 PRO 58 112.853 3.166 -3.211 396 HG3 PRO 58 HG1 PRO 58 113.961 4.496 -3.579 397 HD2 PRO 58 HD2 PRO 58 112.481 3.993 -1.098 398 HD3 PRO 58 HD1 PRO 58 113.768 5.177 -1.397 399 H SER 59 HN SER 59 109.764 4.697 -1.555 400 HA SER 59 HA SER 59 107.194 5.740 -2.671 401 HB2 SER 59 HB2 SER 59 107.720 3.576 -3.817 402 HB3 SER 59 HB1 SER 59 107.703 2.783 -2.244 403 HG SER 59 HG SER 59 105.656 2.592 -2.976 404 H LYS 60 HN LYS 60 105.315 5.029 -1.259 405 HA LYS 60 HA LYS 60 106.019 5.584 1.525 406 HB2 LYS 60 HB2 LYS 60 103.271 4.836 0.518 407 HB3 LYS 60 HB1 LYS 60 103.696 5.873 1.880 408 HG2 LYS 60 HG2 LYS 60 104.799 7.419 0.151 409 HG3 LYS 60 HG1 LYS 60 103.946 6.475 -1.070 410 HD2 LYS 60 HD2 LYS 60 101.804 6.946 0.157 411 HD3 LYS 60 HD1 LYS 60 102.707 8.034 1.212 412 HE2 LYS 60 HE2 LYS 60 103.454 9.280 -0.851 413 HE3 LYS 60 HE1 LYS 60 102.335 8.285 -1.783 414 HZ1 LYS 60 HZ1 LYS 60 100.894 9.212 0.370 415 HZ2 LYS 60 HZ2 LYS 60 100.768 9.732 -1.242 416 HZ3 LYS 60 HZ3 LYS 60 101.793 10.549 -0.160 417 H ALA 61 HN ALA 61 107.090 3.745 2.332 418 HA ALA 61 HA ALA 61 106.228 1.058 1.900 419 HB1 ALA 61 HB1 ALA 61 107.639 0.523 3.882 420 HB2 ALA 61 HB2 ALA 61 107.800 2.250 4.201 421 HB3 ALA 61 HB3 ALA 61 108.477 1.559 2.726 422 H GLU 62 HN GLU 62 104.308 0.201 2.578 423 HA GLU 62 HA GLU 62 102.645 1.503 4.524 424 HB2 GLU 62 HB2 GLU 62 101.936 -0.151 2.657 425 HB3 GLU 62 HB1 GLU 62 102.391 -1.418 3.798 426 HG2 GLU 62 HG2 GLU 62 100.787 -0.617 5.422 427 HG3 GLU 62 HG1 GLU 62 100.428 0.802 4.439 428 H ILE 63 HN ILE 63 101.878 0.298 6.545 429 HA ILE 63 HA ILE 63 104.031 -1.269 7.856 430 HB ILE 63 HB ILE 63 102.691 1.117 9.161 431 HG12 ILE 63 HG12 ILE 63 105.448 0.867 7.907 432 HG13 ILE 63 HG11 ILE 63 104.129 1.877 7.319 433 HG21 ILE 63 HG21 ILE 63 103.502 -0.698 10.659 434 HG22 ILE 63 HG22 ILE 63 104.409 0.792 10.880 435 HG23 ILE 63 HG23 ILE 63 105.110 -0.537 9.956 436 HD11 ILE 63 HD11 ILE 63 104.179 2.945 9.689 437 HD12 ILE 63 HD12 ILE 63 105.452 3.386 8.549 438 HD13 ILE 63 HD13 ILE 63 105.774 2.205 9.818 439 H ALA 64 HN ALA 64 103.171 -2.540 9.735 440 HA ALA 64 HA ALA 64 100.208 -2.493 10.025 441 HB1 ALA 64 HB1 ALA 64 101.543 -5.159 9.619 442 HB2 ALA 64 HB2 ALA 64 101.079 -4.202 8.215 443 HB3 ALA 64 HB3 ALA 64 99.856 -4.710 9.378 444 H PHE 65 HN PHE 65 99.592 -4.086 11.868 445 HA PHE 65 HA PHE 65 101.789 -4.514 13.819 446 HB2 PHE 65 HB2 PHE 65 100.490 -3.371 15.611 447 HB3 PHE 65 HB1 PHE 65 101.000 -2.256 14.344 448 HD1 PHE 65 HD1 PHE 65 99.362 -1.590 12.543 449 HD2 PHE 65 HD2 PHE 65 98.177 -3.765 16.053 450 HE1 PHE 65 HE1 PHE 65 96.997 -0.964 12.133 451 HE2 PHE 65 HE2 PHE 65 95.813 -3.139 15.643 452 HZ PHE 65 HZ PHE 65 95.223 -1.738 13.683 453 H GLU 66 HN GLU 66 101.519 -6.586 14.457 454 HA GLU 66 HA GLU 66 98.775 -7.546 15.129 455 HB2 GLU 66 HB2 GLU 66 99.298 -8.280 12.802 456 HB3 GLU 66 HB1 GLU 66 100.738 -9.097 13.411 457 HG2 GLU 66 HG2 GLU 66 99.374 -10.537 14.829 458 HG3 GLU 66 HG1 GLU 66 97.913 -9.673 14.348 459 H ASP 67 HN ASP 67 99.161 -7.777 17.317 460 HA ASP 67 HA ASP 67 101.678 -8.789 18.357 461 HB2 ASP 67 HB2 ASP 67 100.414 -8.885 20.528 462 HB3 ASP 67 HB1 ASP 67 100.340 -7.307 19.743 463 H ARG 68 HN ARG 68 102.056 -10.847 17.479 464 HA ARG 68 HA ARG 68 99.958 -12.920 17.702 465 HB2 ARG 68 HB2 ARG 68 101.550 -12.643 15.703 466 HB3 ARG 68 HB1 ARG 68 102.801 -13.313 16.750 467 HG2 ARG 68 HG2 ARG 68 101.515 -15.352 17.071 468 HG3 ARG 68 HG1 ARG 68 100.154 -14.677 16.173 469 HD2 ARG 68 HD2 ARG 68 101.721 -14.441 14.190 470 HD3 ARG 68 HD1 ARG 68 102.891 -15.395 15.101 471 HE ARG 68 HE ARG 68 100.596 -16.938 15.173 472 HH11 ARG 68 HH21 ARG 68 102.481 -15.383 12.742 473 HH12 ARG 68 HH22 ARG 68 102.125 -16.562 11.524 474 HH21 ARG 68 HH11 ARG 68 100.120 -18.487 13.597 475 HH22 ARG 68 HH12 ARG 68 100.790 -18.320 12.009 476 H LYS 69 HN LYS 69 102.391 -11.665 19.666 477 HA LYS 69 HA LYS 69 102.559 -14.221 21.241 478 HB2 LYS 69 HB2 LYS 69 104.628 -12.008 21.103 479 HB3 LYS 69 HB1 LYS 69 104.775 -13.529 21.978 480 HG2 LYS 69 HG2 LYS 69 104.290 -13.490 18.995 481 HG3 LYS 69 HG1 LYS 69 105.917 -13.359 19.654 482 HD2 LYS 69 HD2 LYS 69 105.485 -15.485 20.945 483 HD3 LYS 69 HD1 LYS 69 103.965 -15.642 20.065 484 HE2 LYS 69 HE2 LYS 69 105.694 -16.956 18.947 485 HE3 LYS 69 HE1 LYS 69 105.231 -15.595 17.924 486 HZ1 LYS 69 HZ1 LYS 69 107.169 -14.458 18.416 487 HZ2 LYS 69 HZ2 LYS 69 107.708 -16.064 18.286 488 HZ3 LYS 69 HZ3 LYS 69 107.481 -15.362 19.816 489 H ASP 70 HN ASP 70 101.163 -11.243 21.190 490 HA ASP 70 HA ASP 70 100.123 -9.982 22.877 491 HB2 ASP 70 HB2 ASP 70 99.906 -12.493 23.770 492 HB3 ASP 70 HB1 ASP 70 101.033 -11.921 24.992 493 H GLY 71 HN GLY 71 103.371 -10.671 22.715 494 HA2 GLY 71 HA2 GLY 71 104.015 -8.454 24.610 495 HA3 GLY 71 HA1 GLY 71 104.888 -9.980 24.714 496 H SER 72 HN SER 72 104.932 -10.426 21.831 497 HA SER 72 HA SER 72 107.118 -8.525 21.147 498 HB2 SER 72 HB2 SER 72 107.895 -10.156 19.648 499 HB3 SER 72 HB1 SER 72 107.230 -11.137 20.951 500 HG SER 72 HG SER 72 106.593 -11.328 18.484 501 H CYS 73 HN CYS 73 106.349 -6.710 20.139 502 HA CYS 73 HA CYS 73 103.890 -6.795 18.555 503 HB2 CYS 73 HB2 CYS 73 105.821 -4.482 18.525 504 HB3 CYS 73 HB1 CYS 73 104.061 -4.461 18.429 505 HG CYS 73 HG CYS 73 104.187 -5.369 21.026 506 H GLY 74 HN GLY 74 103.893 -7.607 16.530 507 HA2 GLY 74 HA2 GLY 74 106.400 -7.601 14.941 508 HA3 GLY 74 HA1 GLY 74 104.935 -8.501 14.556 509 H VAL 75 HN VAL 75 106.748 -5.849 13.703 510 HA VAL 75 HA VAL 75 104.432 -4.290 12.635 511 HB VAL 75 HB VAL 75 107.397 -3.678 12.730 512 HG11 VAL 75 HG11 VAL 75 106.522 -1.350 12.102 513 HG12 VAL 75 HG12 VAL 75 105.021 -2.157 11.652 514 HG13 VAL 75 HG13 VAL 75 106.521 -2.560 10.818 515 HG21 VAL 75 HG21 VAL 75 106.523 -3.489 14.937 516 HG22 VAL 75 HG22 VAL 75 105.003 -2.805 14.362 517 HG23 VAL 75 HG23 VAL 75 106.480 -1.844 14.303 518 H SER 76 HN SER 76 103.735 -5.119 10.727 519 HA SER 76 HA SER 76 105.699 -6.268 8.836 520 HB2 SER 76 HB2 SER 76 103.931 -7.445 7.980 521 HB3 SER 76 HB1 SER 76 103.067 -6.911 9.417 522 HG SER 76 HG SER 76 101.906 -6.353 7.569 523 H TYR 77 HN TYR 77 105.507 -5.498 6.477 524 HA TYR 77 HA TYR 77 104.488 -2.787 6.067 525 HB2 TYR 77 HB2 TYR 77 106.667 -1.714 5.725 526 HB3 TYR 77 HB1 TYR 77 106.603 -2.384 7.354 527 HD1 TYR 77 HD2 TYR 77 107.510 -4.824 7.639 528 HD2 TYR 77 HD1 TYR 77 108.438 -2.287 4.303 529 HE1 TYR 77 HE2 TYR 77 109.502 -6.212 7.137 530 HE2 TYR 77 HE1 TYR 77 110.430 -3.674 3.799 531 HH TYR 77 HH TYR 77 111.976 -5.238 5.198 532 H VAL 78 HN VAL 78 105.293 -1.984 3.789 533 HA VAL 78 HA VAL 78 106.008 -4.271 2.010 534 HB VAL 78 HB VAL 78 103.444 -3.953 2.208 535 HG11 VAL 78 HG11 VAL 78 102.425 -2.156 1.081 536 HG12 VAL 78 HG12 VAL 78 103.904 -1.731 0.218 537 HG13 VAL 78 HG13 VAL 78 103.758 -1.388 1.938 538 HG21 VAL 78 HG21 VAL 78 104.919 -3.919 -0.439 539 HG22 VAL 78 HG22 VAL 78 103.196 -4.268 -0.295 540 HG23 VAL 78 HG23 VAL 78 104.377 -5.331 0.468 541 H VAL 79 HN VAL 79 107.673 -3.627 0.795 542 HA VAL 79 HA VAL 79 108.090 -0.724 0.291 543 HB VAL 79 HB VAL 79 110.306 -1.586 -0.636 544 HG11 VAL 79 HG11 VAL 79 109.383 -1.854 2.221 545 HG12 VAL 79 HG12 VAL 79 110.514 -0.700 1.520 546 HG13 VAL 79 HG13 VAL 79 111.019 -2.363 1.812 547 HG21 VAL 79 HG21 VAL 79 110.913 -3.868 -0.249 548 HG22 VAL 79 HG22 VAL 79 109.310 -3.930 -0.980 549 HG23 VAL 79 HG23 VAL 79 109.495 -4.151 0.761 550 H GLN 80 HN GLN 80 108.237 0.102 -1.845 551 HA GLN 80 HA GLN 80 106.792 -1.513 -3.855 552 HB2 GLN 80 HB2 GLN 80 106.388 0.995 -3.298 553 HB3 GLN 80 HB1 GLN 80 107.813 1.291 -4.292 554 HG2 GLN 80 HG2 GLN 80 106.702 -0.062 -6.122 555 HG3 GLN 80 HG1 GLN 80 105.240 -0.069 -5.135 556 HE21 GLN 80 HE21 GLN 80 105.892 1.328 -7.801 557 HE22 GLN 80 HE22 GLN 80 105.478 2.951 -7.526 558 H GLU 81 HN GLU 81 109.952 0.214 -3.646 559 HA GLU 81 HA GLU 81 111.079 -1.806 -5.416 560 HB2 GLU 81 HB2 GLU 81 111.941 0.548 -6.738 561 HB3 GLU 81 HB1 GLU 81 110.861 -0.690 -7.374 562 HG2 GLU 81 HG2 GLU 81 108.931 0.461 -6.610 563 HG3 GLU 81 HG1 GLU 81 109.891 1.553 -5.613 564 HA PRO 82 HA PRO 82 114.950 -1.439 -3.424 565 HB2 PRO 82 HB2 PRO 82 116.035 -0.516 -6.049 566 HB3 PRO 82 HB1 PRO 82 116.669 -1.741 -4.932 567 HG2 PRO 82 HG2 PRO 82 115.258 -2.448 -7.166 568 HG3 PRO 82 HG1 PRO 82 115.210 -3.357 -5.666 569 HD2 PRO 82 HD2 PRO 82 113.062 -1.733 -6.834 570 HD3 PRO 82 HD1 PRO 82 112.981 -2.967 -5.570 571 H GLY 83 HN GLY 83 116.351 0.034 -2.531 572 HA2 GLY 83 HA2 GLY 83 117.089 2.572 -3.103 573 HA3 GLY 83 HA1 GLY 83 115.412 2.832 -2.616 574 H ASP 84 HN ASP 84 117.666 3.844 -1.199 575 HA ASP 84 HA ASP 84 118.047 2.172 1.177 576 HB2 ASP 84 HB2 ASP 84 118.836 5.081 1.008 577 HB3 ASP 84 HB1 ASP 84 119.634 3.760 1.861 578 H TYR 85 HN TYR 85 115.932 1.998 1.954 579 HA TYR 85 HA TYR 85 114.228 4.291 2.387 580 HB2 TYR 85 HB2 TYR 85 114.181 1.379 2.758 581 HB3 TYR 85 HB1 TYR 85 113.316 2.218 4.045 582 HD1 TYR 85 HD2 TYR 85 111.516 3.920 3.361 583 HD2 TYR 85 HD1 TYR 85 113.236 1.089 0.628 584 HE1 TYR 85 HE2 TYR 85 109.586 4.220 1.833 585 HE2 TYR 85 HE1 TYR 85 111.312 1.384 -0.898 586 HH TYR 85 HH TYR 85 109.090 3.928 -0.580 587 H GLU 86 HN GLU 86 113.651 5.123 4.516 588 HA GLU 86 HA GLU 86 115.626 4.560 6.670 589 HB2 GLU 86 HB2 GLU 86 115.260 7.312 6.903 590 HB3 GLU 86 HB1 GLU 86 116.669 6.545 6.182 591 HG2 GLU 86 HG2 GLU 86 114.233 7.016 4.476 592 HG3 GLU 86 HG1 GLU 86 115.310 8.363 4.817 593 H VAL 87 HN VAL 87 114.508 4.078 8.489 594 HA VAL 87 HA VAL 87 111.817 5.344 8.907 595 HB VAL 87 HB VAL 87 111.826 2.872 8.399 596 HG11 VAL 87 HG11 VAL 87 112.740 1.323 9.949 597 HG12 VAL 87 HG12 VAL 87 113.009 2.577 11.160 598 HG13 VAL 87 HG13 VAL 87 114.002 2.529 9.705 599 HG21 VAL 87 HG21 VAL 87 110.226 2.345 10.137 600 HG22 VAL 87 HG22 VAL 87 110.053 4.058 9.756 601 HG23 VAL 87 HG23 VAL 87 110.923 3.561 11.208 602 H SER 88 HN SER 88 111.357 6.051 11.024 603 HA SER 88 HA SER 88 113.600 5.912 13.017 604 HB2 SER 88 HB2 SER 88 113.261 8.230 13.585 605 HB3 SER 88 HB1 SER 88 113.457 8.150 11.836 606 HG SER 88 HG SER 88 111.125 8.091 11.733 607 H ILE 89 HN ILE 89 112.761 4.599 14.541 608 HA ILE 89 HA ILE 89 109.919 4.992 15.380 609 HB ILE 89 HB ILE 89 109.898 2.749 16.061 610 HG12 ILE 89 HG12 ILE 89 112.906 3.021 16.159 611 HG13 ILE 89 HG11 ILE 89 111.814 2.597 17.470 612 HG21 ILE 89 HG21 ILE 89 110.573 1.530 14.126 613 HG22 ILE 89 HG22 ILE 89 111.889 2.654 13.789 614 HG23 ILE 89 HG23 ILE 89 110.217 3.160 13.553 615 HD11 ILE 89 HD11 ILE 89 111.231 0.504 16.081 616 HD12 ILE 89 HD12 ILE 89 112.817 0.537 16.853 617 HD13 ILE 89 HD13 ILE 89 112.667 0.886 15.131 618 H LYS 90 HN LYS 90 109.508 5.832 17.352 619 HA LYS 90 HA LYS 90 111.640 5.810 19.442 620 HB2 LYS 90 HB2 LYS 90 111.086 8.115 20.023 621 HB3 LYS 90 HB1 LYS 90 111.626 8.048 18.354 622 HG2 LYS 90 HG2 LYS 90 108.953 7.678 17.964 623 HG3 LYS 90 HG1 LYS 90 108.890 8.607 19.451 624 HD2 LYS 90 HD2 LYS 90 108.819 10.194 17.643 625 HD3 LYS 90 HD1 LYS 90 110.431 10.299 18.343 626 HE2 LYS 90 HE2 LYS 90 110.246 8.265 16.219 627 HE3 LYS 90 HE1 LYS 90 109.918 9.899 15.645 628 HZ1 LYS 90 HZ1 LYS 90 111.998 10.599 16.137 629 HZ2 LYS 90 HZ2 LYS 90 112.354 8.961 15.859 630 HZ3 LYS 90 HZ3 LYS 90 112.185 9.538 17.448 631 H PHE 91 HN PHE 91 110.764 4.908 21.263 632 HA PHE 91 HA PHE 91 107.831 4.672 21.451 633 HB2 PHE 91 HB2 PHE 91 109.243 2.808 22.245 634 HB3 PHE 91 HB1 PHE 91 109.983 3.869 23.439 635 HD1 PHE 91 HD1 PHE 91 106.547 2.914 22.261 636 HD2 PHE 91 HD2 PHE 91 109.094 3.799 25.612 637 HE1 PHE 91 HE1 PHE 91 104.665 2.473 23.806 638 HE2 PHE 91 HE2 PHE 91 107.200 3.348 27.161 639 HZ PHE 91 HZ PHE 91 104.989 2.694 26.249 640 H ASN 92 HN ASN 92 106.813 6.538 21.944 641 HA ASN 92 HA ASN 92 106.204 8.469 23.062 642 HB2 ASN 92 HB2 ASN 92 106.279 8.446 25.386 643 HB3 ASN 92 HB1 ASN 92 106.480 6.738 25.024 644 HD21 ASN 92 HD21 ASN 92 108.364 5.730 25.817 645 HD22 ASN 92 HD22 ASN 92 109.651 6.558 26.551 646 H ASP 93 HN ASP 93 108.533 8.469 21.342 647 HA ASP 93 HA ASP 93 109.907 10.235 20.620 648 HB2 ASP 93 HB2 ASP 93 109.968 11.499 23.342 649 HB3 ASP 93 HB1 ASP 93 110.145 12.232 21.751 650 H GLU 94 HN GLU 94 110.729 7.732 22.318 651 HA GLU 94 HA GLU 94 113.481 8.715 23.014 652 HB2 GLU 94 HB2 GLU 94 113.791 6.587 24.183 653 HB3 GLU 94 HB1 GLU 94 112.373 7.424 24.799 654 HG2 GLU 94 HG2 GLU 94 111.280 5.452 24.468 655 HG3 GLU 94 HG1 GLU 94 111.296 5.883 22.765 656 H HIS 95 HN HIS 95 114.450 8.809 21.031 657 HA HIS 95 HA HIS 95 114.025 6.889 18.933 658 HB2 HIS 95 HB2 HIS 95 115.965 7.960 17.855 659 HB3 HIS 95 HB1 HIS 95 114.868 9.178 18.505 660 HD1 HIS 95 HD1 HIS 95 115.566 10.174 20.924 661 HD2 HIS 95 HD2 HIS 95 118.549 8.102 18.878 662 HE1 HIS 95 HE1 HIS 95 117.758 10.802 22.025 663 H ILE 96 HN ILE 96 114.520 4.792 19.334 664 HA ILE 96 HA ILE 96 116.509 3.906 21.142 665 HB ILE 96 HB ILE 96 115.815 1.788 20.571 666 HG12 ILE 96 HG12 ILE 96 117.103 1.605 18.509 667 HG13 ILE 96 HG11 ILE 96 115.483 0.987 18.235 668 HG21 ILE 96 HG21 ILE 96 113.584 1.745 19.746 669 HG22 ILE 96 HG22 ILE 96 113.823 3.215 18.804 670 HG23 ILE 96 HG23 ILE 96 113.772 3.296 20.563 671 HD11 ILE 96 HD11 ILE 96 116.821 3.013 16.764 672 HD12 ILE 96 HD12 ILE 96 115.510 3.816 17.622 673 HD13 ILE 96 HD13 ILE 96 115.166 2.454 16.561 674 HA PRO 97 HA PRO 97 120.300 4.591 18.976 675 HB2 PRO 97 HB2 PRO 97 121.633 2.129 19.534 676 HB3 PRO 97 HB1 PRO 97 121.701 3.606 20.501 677 HG2 PRO 97 HG2 PRO 97 120.248 1.105 21.068 678 HG3 PRO 97 HG1 PRO 97 120.623 2.445 22.163 679 HD2 PRO 97 HD2 PRO 97 118.074 1.860 21.048 680 HD3 PRO 97 HD1 PRO 97 118.536 3.345 21.905 681 H ASP 98 HN ASP 98 118.969 4.344 16.925 682 HA ASP 98 HA ASP 98 120.228 2.677 15.013 683 HB2 ASP 98 HB2 ASP 98 118.337 1.246 16.599 684 HB3 ASP 98 HB1 ASP 98 117.600 1.467 15.027 685 H SER 99 HN SER 99 117.463 4.563 15.977 686 HA SER 99 HA SER 99 116.611 4.979 13.234 687 HB2 SER 99 HB2 SER 99 115.937 6.327 15.852 688 HB3 SER 99 HB1 SER 99 115.288 6.897 14.317 689 HG SER 99 HG SER 99 113.822 5.440 14.957 690 HA PRO 100 HA PRO 100 116.128 6.489 11.681 691 HB2 PRO 100 HB2 PRO 100 117.579 7.241 9.384 692 HB3 PRO 100 HB1 PRO 100 116.406 8.248 10.243 693 HG2 PRO 100 HG2 PRO 100 119.326 8.532 10.150 694 HG3 PRO 100 HG1 PRO 100 118.124 9.669 10.781 695 HD2 PRO 100 HD2 PRO 100 119.874 7.930 12.298 696 HD3 PRO 100 HD1 PRO 100 118.663 9.065 12.927 697 H PHE 101 HN PHE 101 116.117 4.252 11.394 698 HA PHE 101 HA PHE 101 118.465 2.641 10.911 699 HB2 PHE 101 HB2 PHE 101 115.677 2.265 11.493 700 HB3 PHE 101 HB1 PHE 101 115.986 1.376 10.015 701 HD1 PHE 101 HD2 PHE 101 118.492 0.131 10.176 702 HD2 PHE 101 HD1 PHE 101 115.764 0.961 13.380 703 HE1 PHE 101 HE2 PHE 101 119.457 -1.746 11.471 704 HE2 PHE 101 HE1 PHE 101 116.724 -0.926 14.680 705 HZ PHE 101 HZ PHE 101 118.568 -2.281 13.724 706 H VAL 102 HN VAL 102 118.679 1.318 8.858 707 HA VAL 102 HA VAL 102 117.706 2.774 6.421 708 HB VAL 102 HB VAL 102 120.164 3.047 6.962 709 HG11 VAL 102 HG11 VAL 102 120.431 0.153 6.155 710 HG12 VAL 102 HG12 VAL 102 120.311 0.634 7.846 711 HG13 VAL 102 HG13 VAL 102 121.651 1.212 6.857 712 HG21 VAL 102 HG21 VAL 102 119.220 3.199 4.645 713 HG22 VAL 102 HG22 VAL 102 119.571 1.484 4.430 714 HG23 VAL 102 HG23 VAL 102 120.889 2.631 4.670 715 H VAL 103 HN VAL 103 116.541 1.472 5.087 716 HA VAL 103 HA VAL 103 116.775 -1.513 5.402 717 HB VAL 103 HB VAL 103 114.342 0.160 4.724 718 HG11 VAL 103 HG11 VAL 103 113.213 -2.122 5.058 719 HG12 VAL 103 HG12 VAL 103 114.825 -2.820 4.908 720 HG13 VAL 103 HG13 VAL 103 114.128 -1.915 3.565 721 HG21 VAL 103 HG21 VAL 103 113.519 -0.636 6.910 722 HG22 VAL 103 HG22 VAL 103 115.017 0.276 7.100 723 HG23 VAL 103 HG23 VAL 103 115.041 -1.485 7.177 724 HA PRO 104 HA PRO 104 117.873 -0.323 1.060 725 HB2 PRO 104 HB2 PRO 104 119.677 -2.569 0.921 726 HB3 PRO 104 HB1 PRO 104 120.097 -0.853 1.014 727 HG2 PRO 104 HG2 PRO 104 120.409 -2.844 3.082 728 HG3 PRO 104 HG1 PRO 104 120.798 -1.121 3.177 729 HD2 PRO 104 HD2 PRO 104 118.545 -2.530 4.380 730 HD3 PRO 104 HD1 PRO 104 119.017 -0.833 4.592 731 H VAL 105 HN VAL 105 116.137 -0.986 -0.156 732 HA VAL 105 HA VAL 105 115.269 -3.817 -0.097 733 HB VAL 105 HB VAL 105 114.163 -1.306 -1.387 734 HG11 VAL 105 HG11 VAL 105 112.982 -4.101 -1.457 735 HG12 VAL 105 HG12 VAL 105 113.700 -3.296 -2.847 736 HG13 VAL 105 HG13 VAL 105 112.240 -2.646 -2.110 737 HG21 VAL 105 HG21 VAL 105 112.918 -3.104 0.679 738 HG22 VAL 105 HG22 VAL 105 112.465 -1.456 0.246 739 HG23 VAL 105 HG23 VAL 105 113.967 -1.756 1.115 740 H ALA 106 HN ALA 106 115.451 -5.179 -1.977 741 HA ALA 106 HA ALA 106 117.165 -4.111 -4.216 742 HB1 ALA 106 HB1 ALA 106 118.239 -5.573 -2.284 743 HB2 ALA 106 HB2 ALA 106 118.705 -5.816 -3.963 744 HB3 ALA 106 HB3 ALA 106 117.550 -6.910 -3.203 745 H SER 107 HN SER 107 116.406 -4.612 -6.195 746 HA SER 107 HA SER 107 114.279 -6.700 -6.491 747 HB2 SER 107 HB2 SER 107 113.663 -5.549 -8.551 748 HB3 SER 107 HB1 SER 107 113.731 -4.363 -7.258 749 HG SER 107 HG SER 107 115.696 -4.913 -9.226 750 H LEU 108 HN LEU 108 115.654 -8.449 -6.665 751 HA LEU 108 HA LEU 108 117.143 -9.952 -7.677 752 HB2 LEU 108 HB2 LEU 108 116.231 -8.270 -10.018 753 HB3 LEU 108 HB1 LEU 108 117.485 -9.488 -10.236 754 HG LEU 108 HG LEU 108 115.964 -11.199 -9.281 755 HD11 LEU 108 HD11 LEU 108 114.559 -9.920 -7.839 756 HD12 LEU 108 HD12 LEU 108 113.508 -10.492 -9.134 757 HD13 LEU 108 HD13 LEU 108 114.093 -8.828 -9.142 758 HD21 LEU 108 HD21 LEU 108 116.012 -10.900 -11.706 759 HD22 LEU 108 HD22 LEU 108 114.842 -9.585 -11.593 760 HD23 LEU 108 HD23 LEU 108 114.357 -11.233 -11.195 761 H SER 109 HN SER 109 117.799 -6.949 -6.868 762 HA SER 109 HA SER 109 120.488 -6.696 -8.094 763 HB2 SER 109 HB2 SER 109 118.850 -4.736 -7.693 764 HB3 SER 109 HB1 SER 109 119.314 -4.882 -6.001 765 HG SER 109 HG SER 109 120.858 -4.196 -8.247 766 H ASP 110 HN ASP 110 118.893 -7.552 -5.099 767 HA ASP 110 HA ASP 110 119.765 -8.321 -3.056 768 HB2 ASP 110 HB2 ASP 110 121.959 -9.231 -4.950 769 HB3 ASP 110 HB1 ASP 110 121.821 -9.743 -3.268 770 H ASP 111 HN ASP 111 120.728 -5.701 -4.496 771 HA ASP 111 HA ASP 111 122.347 -4.777 -2.285 772 HB2 ASP 111 HB2 ASP 111 124.096 -5.979 -3.506 773 HB3 ASP 111 HB1 ASP 111 123.668 -5.132 -4.993 774 H ALA 112 HN ALA 112 121.111 -4.256 -5.595 775 HA ALA 112 HA ALA 112 120.867 -2.108 -6.719 776 HB1 ALA 112 HB1 ALA 112 118.660 -2.656 -6.147 777 HB2 ALA 112 HB2 ALA 112 118.835 -1.026 -5.504 778 HB3 ALA 112 HB3 ALA 112 118.948 -2.417 -4.425 779 H ARG 113 HN ARG 113 123.121 -1.343 -5.821 780 HA ARG 113 HA ARG 113 123.080 0.502 -3.596 781 HB2 ARG 113 HB2 ARG 113 125.084 -0.773 -4.935 782 HB3 ARG 113 HB1 ARG 113 125.204 0.814 -5.680 783 HG2 ARG 113 HG2 ARG 113 126.631 0.982 -3.820 784 HG3 ARG 113 HG1 ARG 113 125.141 1.732 -3.255 785 HD2 ARG 113 HD2 ARG 113 124.746 -0.953 -2.619 786 HD3 ARG 113 HD1 ARG 113 126.464 -0.732 -2.304 787 HE ARG 113 HE ARG 113 124.419 0.105 -0.578 788 HH11 ARG 113 HH21 ARG 113 127.063 1.564 -2.255 789 HH12 ARG 113 HH22 ARG 113 127.192 2.890 -1.153 790 HH21 ARG 113 HH11 ARG 113 124.588 1.821 0.862 791 HH22 ARG 113 HH12 ARG 113 125.799 3.033 0.611 792 H ARG 114 HN ARG 114 124.402 2.744 -4.534 793 HA ARG 114 HA ARG 114 122.553 3.993 -6.531 794 HB2 ARG 114 HB2 ARG 114 122.035 4.507 -4.025 795 HB3 ARG 114 HB1 ARG 114 123.517 5.461 -4.066 796 HG2 ARG 114 HG2 ARG 114 122.426 6.505 -6.248 797 HG3 ARG 114 HG1 ARG 114 120.928 5.903 -5.540 798 HD2 ARG 114 HD2 ARG 114 122.759 8.062 -4.558 799 HD3 ARG 114 HD1 ARG 114 120.996 8.004 -4.555 800 HE ARG 114 HE ARG 114 121.707 6.033 -2.754 801 HH11 ARG 114 HH21 ARG 114 122.471 9.359 -3.240 802 HH12 ARG 114 HH22 ARG 114 122.705 9.690 -1.556 803 HH21 ARG 114 HH11 ARG 114 122.011 6.445 -0.550 804 HH22 ARG 114 HH12 ARG 114 122.442 8.040 -0.033 805 H LEU 115 HN LEU 115 125.600 3.144 -5.722 806 HA LEU 115 HA LEU 115 126.836 5.361 -7.319 807 HB2 LEU 115 HB2 LEU 115 128.090 3.986 -4.925 808 HB3 LEU 115 HB1 LEU 115 128.807 5.271 -5.894 809 HG LEU 115 HG LEU 115 126.328 6.364 -5.155 810 HD11 LEU 115 HD11 LEU 115 126.120 4.409 -3.545 811 HD12 LEU 115 HD12 LEU 115 126.022 6.008 -2.808 812 HD13 LEU 115 HD13 LEU 115 127.511 5.072 -2.686 813 HD21 LEU 115 HD21 LEU 115 128.979 6.669 -3.710 814 HD22 LEU 115 HD22 LEU 115 127.646 7.826 -3.699 815 HD23 LEU 115 HD23 LEU 115 128.526 7.507 -5.195 816 H THR 116 HN THR 116 126.615 1.967 -6.566 817 HA THR 116 HA THR 116 128.725 1.306 -8.572 818 HB THR 116 HB THR 116 128.157 -1.084 -7.517 819 HG1 THR 116 HG1 THR 116 126.613 -0.669 -6.108 820 HG21 THR 116 HG21 THR 116 129.942 -0.747 -5.872 821 HG22 THR 116 HG22 THR 116 129.756 1.002 -6.008 822 HG23 THR 116 HG23 THR 116 130.349 0.069 -7.382 823 H VAL 117 HN VAL 117 125.841 -0.429 -7.507 824 HA VAL 117 HA VAL 117 125.079 -1.168 -10.187 825 HB VAL 117 HB VAL 117 123.574 -1.054 -7.556 826 HG11 VAL 117 HG11 VAL 117 122.666 -1.939 -10.302 827 HG12 VAL 117 HG12 VAL 117 121.857 -0.835 -9.190 828 HG13 VAL 117 HG13 VAL 117 121.914 -2.561 -8.833 829 HG21 VAL 117 HG21 VAL 117 124.770 -3.295 -9.213 830 HG22 VAL 117 HG22 VAL 117 123.729 -3.563 -7.814 831 HG23 VAL 117 HG23 VAL 117 125.288 -2.762 -7.614 832 H THR 118 HN THR 118 125.138 1.669 -8.501 833 HA THR 118 HA THR 118 123.987 3.695 -8.578 834 HB THR 118 HB THR 118 125.563 3.942 -10.335 835 HG1 THR 118 HG1 THR 118 122.938 4.697 -11.073 836 HG21 THR 118 HG21 THR 118 125.259 1.915 -11.597 837 HG22 THR 118 HG22 THR 118 124.966 3.261 -12.694 838 HG23 THR 118 HG23 THR 118 123.609 2.360 -12.029 839 H SER 119 HN SER 119 122.022 2.505 -7.779 840 HA SER 119 HA SER 119 119.718 2.141 -7.862 841 HB2 SER 119 HB2 SER 119 119.247 4.390 -8.090 842 HB3 SER 119 HB1 SER 119 120.291 4.562 -9.497 843 HG SER 119 HG SER 119 117.763 4.501 -9.592 844 H1 MET 1 HT1 MET 1 125.653 12.494 -12.511 845 H2 MET 1 HT2 MET 1 126.725 13.783 -12.234 846 H3 MET 1 HT3 MET 1 125.887 13.673 -13.708 847 HA MET 1 HA MET 1 124.202 13.729 -11.356 848 HB2 MET 1 HB2 MET 1 124.460 16.234 -11.194 849 HB3 MET 1 HB1 MET 1 125.852 15.328 -10.601 850 HG2 MET 1 HG2 MET 1 127.011 15.666 -12.736 851 HG3 MET 1 HG1 MET 1 125.609 16.526 -13.375 852 HE1 MET 1 HE1 MET 1 127.160 19.826 -13.036 853 HE2 MET 1 HE2 MET 1 125.838 18.868 -13.696 854 HE3 MET 1 HE3 MET 1 127.503 18.367 -13.974 855 H ALA 2 HN ALA 2 122.230 14.899 -11.936 856 HA ALA 2 HA ALA 2 121.935 16.037 -14.592 857 HB1 ALA 2 HB1 ALA 2 120.317 14.298 -15.399 858 HB2 ALA 2 HB2 ALA 2 120.790 13.287 -14.033 859 HB3 ALA 2 HB3 ALA 2 121.973 13.707 -15.271 860 H SER 3 HN SER 3 120.242 17.440 -14.520 861 HA SER 3 HA SER 3 118.404 18.604 -13.648 862 HB2 SER 3 HB2 SER 3 116.463 17.320 -13.301 863 HB3 SER 3 HB1 SER 3 117.420 16.314 -14.382 864 HG SER 3 HG SER 3 116.596 15.840 -11.852 865 H LYS 4 HN LYS 4 116.957 17.221 -11.249 866 HA LYS 4 HA LYS 4 118.851 17.342 -9.061 867 HB2 LYS 4 HB2 LYS 4 117.660 19.425 -8.052 868 HB3 LYS 4 HB1 LYS 4 118.888 19.686 -9.291 869 HG2 LYS 4 HG2 LYS 4 117.229 19.990 -10.996 870 HG3 LYS 4 HG1 LYS 4 115.940 19.428 -9.931 871 HD2 LYS 4 HD2 LYS 4 116.312 21.374 -8.456 872 HD3 LYS 4 HD1 LYS 4 117.591 21.941 -9.531 873 HE2 LYS 4 HE2 LYS 4 115.410 23.075 -9.960 874 HE3 LYS 4 HE1 LYS 4 115.999 22.185 -11.363 875 HZ1 LYS 4 HZ1 LYS 4 113.551 21.908 -10.179 876 HZ2 LYS 4 HZ2 LYS 4 114.418 20.548 -9.642 877 HZ3 LYS 4 HZ3 LYS 4 114.246 20.848 -11.306 878 HA PRO 5 HA PRO 5 114.733 15.213 -8.483 879 HB2 PRO 5 HB2 PRO 5 116.226 13.114 -7.108 880 HB3 PRO 5 HB1 PRO 5 115.283 12.993 -8.601 881 HG2 PRO 5 HG2 PRO 5 118.133 12.930 -8.382 882 HG3 PRO 5 HG1 PRO 5 117.189 13.005 -9.877 883 HD2 PRO 5 HD2 PRO 5 118.768 15.119 -8.622 884 HD3 PRO 5 HD1 PRO 5 117.978 15.135 -10.213 885 H GLU 6 HN GLU 6 113.591 15.812 -6.692 886 HA GLU 6 HA GLU 6 114.979 16.916 -4.378 887 HB2 GLU 6 HB2 GLU 6 112.795 17.785 -5.345 888 HB3 GLU 6 HB1 GLU 6 112.017 16.363 -4.650 889 HG2 GLU 6 HG2 GLU 6 111.771 18.097 -3.023 890 HG3 GLU 6 HG1 GLU 6 113.054 17.047 -2.420 891 H LYS 7 HN LYS 7 116.094 14.972 -3.629 892 HA LYS 7 HA LYS 7 116.273 12.978 -2.387 893 HB2 LYS 7 HB2 LYS 7 113.967 14.445 -1.090 894 HB3 LYS 7 HB1 LYS 7 114.620 12.948 -0.425 895 HG2 LYS 7 HG2 LYS 7 116.890 14.021 -0.387 896 HG3 LYS 7 HG1 LYS 7 116.133 15.534 -0.887 897 HD2 LYS 7 HD2 LYS 7 114.877 15.694 1.128 898 HD3 LYS 7 HD1 LYS 7 115.218 14.020 1.564 899 HE2 LYS 7 HE2 LYS 7 117.557 14.530 1.939 900 HE3 LYS 7 HE1 LYS 7 117.343 16.167 1.321 901 HZ1 LYS 7 HZ1 LYS 7 115.896 16.674 3.143 902 HZ2 LYS 7 HZ2 LYS 7 117.343 16.040 3.766 903 HZ3 LYS 7 HZ3 LYS 7 115.947 15.074 3.702 904 H ARG 8 HN ARG 8 114.307 11.366 -1.200 905 HA ARG 8 HA ARG 8 112.997 10.208 -3.623 906 HB2 ARG 8 HB2 ARG 8 113.004 8.734 -1.016 907 HB3 ARG 8 HB1 ARG 8 113.309 8.135 -2.648 908 HG2 ARG 8 HG2 ARG 8 115.494 9.562 -2.484 909 HG3 ARG 8 HG1 ARG 8 115.195 9.525 -0.752 910 HD2 ARG 8 HD2 ARG 8 115.239 7.095 -0.751 911 HD3 ARG 8 HD1 ARG 8 115.388 7.068 -2.511 912 HE ARG 8 HE ARG 8 117.545 8.589 -1.754 913 HH11 ARG 8 HH21 ARG 8 116.253 5.542 -0.806 914 HH12 ARG 8 HH22 ARG 8 117.801 4.861 -0.437 915 HH21 ARG 8 HH11 ARG 8 119.566 7.711 -1.285 916 HH22 ARG 8 HH12 ARG 8 119.675 6.080 -0.712 917 H VAL 9 HN VAL 9 110.816 9.043 -2.943 918 HA VAL 9 HA VAL 9 108.944 11.051 -2.219 919 HB VAL 9 HB VAL 9 108.827 8.033 -2.263 920 HG11 VAL 9 HG11 VAL 9 107.237 8.567 -0.556 921 HG12 VAL 9 HG12 VAL 9 106.295 8.387 -2.036 922 HG13 VAL 9 HG13 VAL 9 106.679 9.996 -1.426 923 HG21 VAL 9 HG21 VAL 9 107.492 10.191 -3.925 924 HG22 VAL 9 HG22 VAL 9 107.344 8.453 -4.187 925 HG23 VAL 9 HG23 VAL 9 108.902 9.249 -4.412 926 H ALA 10 HN ALA 10 107.658 11.143 -0.179 927 HA ALA 10 HA ALA 10 109.219 10.201 2.216 928 HB1 ALA 10 HB1 ALA 10 109.547 12.596 1.956 929 HB2 ALA 10 HB2 ALA 10 108.475 12.313 3.327 930 HB3 ALA 10 HB3 ALA 10 107.810 12.849 1.784 931 H SER 11 HN SER 11 107.981 9.620 4.040 932 HA SER 11 HA SER 11 105.023 9.691 3.822 933 HB2 SER 11 HB2 SER 11 106.689 7.178 3.806 934 HB3 SER 11 HB1 SER 11 105.060 7.167 4.477 935 HG SER 11 HG SER 11 105.465 8.377 1.993 936 H SER 12 HN SER 12 104.018 9.609 5.855 937 HA SER 12 HA SER 12 105.731 9.144 8.250 938 HB2 SER 12 HB2 SER 12 105.887 11.524 8.001 939 HB3 SER 12 HB1 SER 12 104.170 11.664 7.634 940 HG SER 12 HG SER 12 103.854 10.748 9.803 941 H VAL 13 HN VAL 13 104.643 7.688 9.448 942 HA VAL 13 HA VAL 13 101.813 8.079 10.072 943 HB VAL 13 HB VAL 13 101.525 6.865 8.027 944 HG11 VAL 13 HG11 VAL 13 103.771 5.156 9.089 945 HG12 VAL 13 HG12 VAL 13 103.700 6.043 7.568 946 HG13 VAL 13 HG13 VAL 13 102.715 4.597 7.791 947 HG21 VAL 13 HG21 VAL 13 101.460 4.709 10.145 948 HG22 VAL 13 HG22 VAL 13 100.374 4.918 8.772 949 HG23 VAL 13 HG23 VAL 13 100.301 6.040 10.130 950 H PHE 14 HN PHE 14 101.115 6.342 11.702 951 HA PHE 14 HA PHE 14 103.067 4.655 12.936 952 HB2 PHE 14 HB2 PHE 14 103.624 5.880 14.885 953 HB3 PHE 14 HB1 PHE 14 104.036 6.883 13.528 954 HD1 PHE 14 HD2 PHE 14 101.979 8.440 12.685 955 HD2 PHE 14 HD1 PHE 14 102.523 6.924 16.665 956 HE1 PHE 14 HE2 PHE 14 100.550 10.250 13.571 957 HE2 PHE 14 HE1 PHE 14 101.094 8.739 17.553 958 HZ PHE 14 HZ PHE 14 100.103 10.405 16.006 959 H ILE 15 HN ILE 15 102.352 4.651 15.560 960 HA ILE 15 HA ILE 15 99.396 4.540 15.746 961 HB ILE 15 HB ILE 15 99.813 2.177 16.837 962 HG12 ILE 15 HG12 ILE 15 102.113 2.301 14.872 963 HG13 ILE 15 HG11 ILE 15 102.317 2.442 16.618 964 HG21 ILE 15 HG21 ILE 15 99.397 1.095 14.678 965 HG22 ILE 15 HG22 ILE 15 99.965 2.533 13.830 966 HG23 ILE 15 HG23 ILE 15 98.481 2.598 14.780 967 HD11 ILE 15 HD11 ILE 15 101.181 0.080 15.100 968 HD12 ILE 15 HD12 ILE 15 101.132 0.229 16.856 969 HD13 ILE 15 HD13 ILE 15 102.683 0.129 16.023 970 H THR 16 HN THR 16 98.924 3.752 18.179 971 HA THR 16 HA THR 16 101.038 4.789 20.024 972 HB THR 16 HB THR 16 98.143 5.653 20.219 973 HG1 THR 16 HG1 THR 16 100.378 6.979 19.086 974 HG21 THR 16 HG21 THR 16 99.713 5.643 22.245 975 HG22 THR 16 HG22 THR 16 98.933 7.178 21.865 976 HG23 THR 16 HG23 THR 16 100.617 6.909 21.415 977 H LEU 17 HN LEU 17 101.056 3.786 22.018 978 HA LEU 17 HA LEU 17 99.135 1.517 22.387 979 HB2 LEU 17 HB2 LEU 17 101.741 1.956 23.858 980 HB3 LEU 17 HB1 LEU 17 100.810 0.465 23.720 981 HG LEU 17 HG LEU 17 102.297 1.885 21.493 982 HD11 LEU 17 HD11 LEU 17 103.616 0.484 23.122 983 HD12 LEU 17 HD12 LEU 17 103.677 -0.104 21.460 984 HD13 LEU 17 HD13 LEU 17 102.636 -0.901 22.641 985 HD21 LEU 17 HD21 LEU 17 100.346 1.024 20.452 986 HD22 LEU 17 HD22 LEU 17 100.328 -0.411 21.477 987 HD23 LEU 17 HD23 LEU 17 101.547 -0.243 20.215 988 H ALA 18 HN ALA 18 97.554 1.878 23.850 989 HA ALA 18 HA ALA 18 98.161 3.214 26.388 990 HB1 ALA 18 HB1 ALA 18 96.231 4.844 26.029 991 HB2 ALA 18 HB2 ALA 18 96.343 4.435 24.317 992 HB3 ALA 18 HB3 ALA 18 97.714 5.184 25.136 993 HA PRO 19 HA PRO 19 95.075 -0.136 26.886 994 HB2 PRO 19 HB2 PRO 19 95.214 0.256 29.771 995 HB3 PRO 19 HB1 PRO 19 95.773 -1.127 28.820 996 HG2 PRO 19 HG2 PRO 19 97.411 0.850 30.087 997 HG3 PRO 19 HG1 PRO 19 97.952 -0.438 29.001 998 HD2 PRO 19 HD2 PRO 19 97.765 2.419 28.460 999 HD3 PRO 19 HD1 PRO 19 98.447 1.147 27.422 1000 HA PRO 20 HA PRO 20 91.966 3.196 27.318 1001 HB2 PRO 20 HB2 PRO 20 89.808 1.368 26.739 1002 HB3 PRO 20 HB1 PRO 20 90.515 2.578 25.659 1003 HG2 PRO 20 HG2 PRO 20 90.814 -0.302 25.525 1004 HG3 PRO 20 HG1 PRO 20 91.485 0.912 24.426 1005 HD2 PRO 20 HD2 PRO 20 92.897 -0.649 26.412 1006 HD3 PRO 20 HD1 PRO 20 93.570 0.562 25.299 1007 H ARG 21 HN ARG 21 92.624 0.552 29.191 1008 HA ARG 21 HA ARG 21 90.290 0.346 30.852 1009 HB2 ARG 21 HB2 ARG 21 93.171 -0.134 31.666 1010 HB3 ARG 21 HB1 ARG 21 91.729 -0.821 32.414 1011 HG2 ARG 21 HG2 ARG 21 91.209 -1.826 30.104 1012 HG3 ARG 21 HG1 ARG 21 92.869 -1.408 29.678 1013 HD2 ARG 21 HD2 ARG 21 93.711 -2.751 31.554 1014 HD3 ARG 21 HD1 ARG 21 92.058 -3.139 32.033 1015 HE ARG 21 HE ARG 21 92.196 -3.979 29.396 1016 HH11 ARG 21 HH21 ARG 21 94.009 -4.489 32.286 1017 HH12 ARG 21 HH22 ARG 21 94.502 -6.091 31.851 1018 HH21 ARG 21 HH11 ARG 21 92.829 -6.068 28.814 1019 HH22 ARG 21 HH12 ARG 21 93.833 -6.985 29.886 1020 H ARG 22 HN ARG 22 93.430 1.822 31.751 1021 HA ARG 22 HA ARG 22 93.873 3.588 33.238 1022 HB2 ARG 22 HB2 ARG 22 91.328 4.692 32.007 1023 HB3 ARG 22 HB1 ARG 22 92.592 5.624 32.811 1024 HG2 ARG 22 HG2 ARG 22 94.205 5.015 31.101 1025 HG3 ARG 22 HG1 ARG 22 93.042 3.930 30.339 1026 HD2 ARG 22 HD2 ARG 22 91.575 5.829 29.825 1027 HD3 ARG 22 HD1 ARG 22 92.693 6.928 30.633 1028 HE ARG 22 HE ARG 22 94.258 5.672 28.718 1029 HH11 ARG 22 HH21 ARG 22 91.273 7.398 28.779 1030 HH12 ARG 22 HH22 ARG 22 91.455 8.032 27.178 1031 HH21 ARG 22 HH11 ARG 22 94.513 6.491 26.631 1032 HH22 ARG 22 HH12 ARG 22 93.292 7.520 25.961 1033 H ASP 23 HN ASP 23 91.638 5.293 34.328 1034 HA ASP 23 HA ASP 23 90.454 5.336 36.357 1035 HB2 ASP 23 HB2 ASP 23 88.854 4.139 34.823 1036 HB3 ASP 23 HB1 ASP 23 89.503 2.613 35.425 1037 H VAL 24 HN VAL 24 93.116 4.437 36.616 1038 HA VAL 24 HA VAL 24 93.379 1.960 38.017 1039 HB VAL 24 HB VAL 24 95.475 3.045 38.958 1040 HG11 VAL 24 HG11 VAL 24 96.593 3.124 36.777 1041 HG12 VAL 24 HG12 VAL 24 95.036 3.300 35.967 1042 HG13 VAL 24 HG13 VAL 24 95.429 1.800 36.807 1043 HG21 VAL 24 HG21 VAL 24 94.578 5.343 37.190 1044 HG22 VAL 24 HG22 VAL 24 96.072 5.257 38.123 1045 HG23 VAL 24 HG23 VAL 24 94.519 5.363 38.953 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 120.425 8.416 43.702 2 H2 GLY 1 HT2 GLY 1 119.664 9.099 45.059 3 H3 GLY 1 HT3 GLY 1 120.177 7.480 45.096 4 HA2 GLY 1 HA2 GLY 1 121.778 10.046 45.242 5 HA3 GLY 1 HA1 GLY 1 121.916 8.525 46.170 6 H ILE 2 HN ILE 2 121.921 6.431 44.620 7 HA ILE 2 HA ILE 2 124.552 6.468 43.510 8 HB ILE 2 HB ILE 2 125.129 6.752 45.927 9 HG12 ILE 2 HG12 ILE 2 125.952 3.956 45.136 10 HG13 ILE 2 HG11 ILE 2 126.484 5.335 44.176 11 HG21 ILE 2 HG21 ILE 2 123.039 5.257 46.570 12 HG22 ILE 2 HG22 ILE 2 124.474 5.268 47.592 13 HG23 ILE 2 HG23 ILE 2 124.209 3.940 46.466 14 HD11 ILE 2 HD11 ILE 2 127.424 6.371 46.228 15 HD12 ILE 2 HD12 ILE 2 128.157 4.805 45.883 16 HD13 ILE 2 HD13 ILE 2 126.938 4.948 47.149 17 HA PRO 3 HA PRO 3 121.353 2.926 42.964 18 HB2 PRO 3 HB2 PRO 3 121.378 3.503 40.143 19 HB3 PRO 3 HB1 PRO 3 120.031 3.712 41.270 20 HG2 PRO 3 HG2 PRO 3 121.779 5.772 40.104 21 HG3 PRO 3 HG1 PRO 3 120.247 5.978 40.967 22 HD2 PRO 3 HD2 PRO 3 122.790 6.631 41.993 23 HD3 PRO 3 HD1 PRO 3 121.305 6.417 42.946 24 H GLU 4 HN GLU 4 123.302 3.680 40.126 25 HA GLU 4 HA GLU 4 125.168 2.498 39.221 26 HB2 GLU 4 HB2 GLU 4 125.773 2.385 41.873 27 HB3 GLU 4 HB1 GLU 4 125.404 0.681 41.613 28 HG2 GLU 4 HG2 GLU 4 127.023 0.644 39.723 29 HG3 GLU 4 HG1 GLU 4 127.428 2.327 40.064 30 H PHE 5 HN PHE 5 122.408 1.387 40.658 31 HA PHE 5 HA PHE 5 122.223 -1.251 39.398 32 HB2 PHE 5 HB2 PHE 5 121.276 -1.217 41.578 33 HB3 PHE 5 HB1 PHE 5 120.695 0.451 41.408 34 HD1 PHE 5 HD1 PHE 5 120.260 -2.859 39.634 35 HD2 PHE 5 HD2 PHE 5 118.368 0.651 41.236 36 HE1 PHE 5 HE1 PHE 5 118.047 -3.735 38.942 37 HE2 PHE 5 HE2 PHE 5 116.155 -0.228 40.543 38 HZ PHE 5 HZ PHE 5 115.995 -2.420 39.396 39 H PHE 6 HN PHE 6 122.460 1.584 38.305 40 HA PHE 6 HA PHE 6 121.565 2.990 36.727 41 HB2 PHE 6 HB2 PHE 6 120.635 1.847 34.712 42 HB3 PHE 6 HB1 PHE 6 122.191 1.202 35.229 43 HD1 PHE 6 HD1 PHE 6 122.354 -1.001 36.318 44 HD2 PHE 6 HD2 PHE 6 118.593 0.526 34.908 45 HE1 PHE 6 HE1 PHE 6 121.364 -3.267 36.497 46 HE2 PHE 6 HE2 PHE 6 117.605 -1.739 35.092 47 HZ PHE 6 HZ PHE 6 118.990 -3.636 35.885 48 H GLN 7 HN GLN 7 119.162 2.561 35.175 49 HA GLN 7 HA GLN 7 116.801 2.724 35.355 50 HB2 GLN 7 HB2 GLN 7 117.176 1.358 37.644 51 HB3 GLN 7 HB1 GLN 7 116.892 2.942 38.365 52 HG2 GLN 7 HG2 GLN 7 114.793 3.080 36.918 53 HG3 GLN 7 HG1 GLN 7 115.037 1.370 36.564 54 HE21 GLN 7 HE21 GLN 7 114.342 -0.131 38.132 55 HE22 GLN 7 HE22 GLN 7 113.766 0.299 39.670 56 H PHE 8 HN PHE 8 119.342 4.428 36.566 57 HA PHE 8 HA PHE 8 118.051 6.980 36.026 58 HB2 PHE 8 HB2 PHE 8 117.540 6.694 38.432 59 HB3 PHE 8 HB1 PHE 8 119.253 6.427 38.754 60 HD1 PHE 8 HD1 PHE 8 116.708 8.915 37.781 61 HD2 PHE 8 HD2 PHE 8 120.855 8.257 38.687 62 HE1 PHE 8 HE1 PHE 8 117.058 11.364 37.957 63 HE2 PHE 8 HE2 PHE 8 121.205 10.706 38.864 64 HZ PHE 8 HZ PHE 8 119.306 12.259 38.499 65 H THR 9 HN THR 9 120.843 5.149 36.990 66 HA THR 9 HA THR 9 122.678 7.214 35.875 67 HB THR 9 HB THR 9 123.270 4.534 37.185 68 HG1 THR 9 HG1 THR 9 124.076 6.627 38.599 69 HG21 THR 9 HG21 THR 9 125.552 5.766 37.478 70 HG22 THR 9 HG22 THR 9 124.987 6.786 36.156 71 HG23 THR 9 HG23 THR 9 125.174 5.048 35.914 72 H VAL 10 HN VAL 10 120.679 4.948 34.817 73 HA VAL 10 HA VAL 10 121.936 3.094 33.222 74 HB VAL 10 HB VAL 10 119.472 3.427 33.428 75 HG11 VAL 10 HG11 VAL 10 119.669 5.937 32.984 76 HG12 VAL 10 HG12 VAL 10 118.331 5.104 32.196 77 HG13 VAL 10 HG13 VAL 10 119.771 5.522 31.276 78 HG21 VAL 10 HG21 VAL 10 119.012 3.013 30.901 79 HG22 VAL 10 HG22 VAL 10 120.061 1.881 31.752 80 HG23 VAL 10 HG23 VAL 10 120.762 3.119 30.716 81 H GLY 11 HN GLY 11 121.394 6.505 32.443 82 HA2 GLY 11 HA2 GLY 11 123.472 7.568 31.348 83 HA3 GLY 11 HA1 GLY 11 123.342 6.279 30.158 84 HA PRO 12 HA PRO 12 120.464 8.719 27.828 85 HB2 PRO 12 HB2 PRO 12 118.554 6.761 27.148 86 HB3 PRO 12 HB1 PRO 12 120.069 7.050 26.281 87 HG2 PRO 12 HG2 PRO 12 119.397 4.880 28.209 88 HG3 PRO 12 HG1 PRO 12 120.564 4.873 26.881 89 HD2 PRO 12 HD2 PRO 12 121.251 5.082 29.571 90 HD3 PRO 12 HD1 PRO 12 122.276 5.623 28.228 91 H LEU 13 HN LEU 13 120.144 8.652 30.668 92 HA LEU 13 HA LEU 13 118.555 8.720 32.432 93 HB2 LEU 13 HB2 LEU 13 116.988 10.720 31.944 94 HB3 LEU 13 HB1 LEU 13 118.721 11.013 31.970 95 HG LEU 13 HG LEU 13 117.455 10.304 29.334 96 HD11 LEU 13 HD11 LEU 13 117.246 13.007 30.677 97 HD12 LEU 13 HD12 LEU 13 115.914 11.980 30.146 98 HD13 LEU 13 HD13 LEU 13 116.976 12.732 28.956 99 HD21 LEU 13 HD21 LEU 13 119.497 12.458 29.883 100 HD22 LEU 13 HD22 LEU 13 119.276 11.488 28.428 101 HD23 LEU 13 HD23 LEU 13 119.988 10.766 29.867 102 H GLY 14 HN GLY 14 117.835 6.519 30.982 103 HA2 GLY 14 HA2 GLY 14 115.970 5.107 30.724 104 HA3 GLY 14 HA1 GLY 14 115.010 6.339 31.546 105 H GLU 15 HN GLU 15 115.633 8.470 29.677 106 HA GLU 15 HA GLU 15 114.713 9.384 27.740 107 HB2 GLU 15 HB2 GLU 15 116.417 7.761 26.804 108 HB3 GLU 15 HB1 GLU 15 115.097 6.616 26.580 109 HG2 GLU 15 HG2 GLU 15 113.971 8.093 25.045 110 HG3 GLU 15 HG1 GLU 15 115.061 9.422 25.436 111 H GLY 16 HN GLY 16 113.181 7.253 29.612 112 HA2 GLY 16 HA2 GLY 16 110.931 6.733 29.909 113 HA3 GLY 16 HA1 GLY 16 110.578 7.972 28.712 114 H GLY 17 HN GLY 17 110.423 4.704 29.357 115 HA2 GLY 17 HA2 GLY 17 109.688 2.888 28.110 116 HA3 GLY 17 HA1 GLY 17 109.144 4.045 26.913 117 H ALA 18 HN ALA 18 111.490 5.112 25.995 118 HA ALA 18 HA ALA 18 112.413 3.324 24.085 119 HB1 ALA 18 HB1 ALA 18 113.398 5.839 25.238 120 HB2 ALA 18 HB2 ALA 18 113.334 5.348 23.551 121 HB3 ALA 18 HB3 ALA 18 114.690 4.850 24.562 122 H HIS 19 HN HIS 19 112.962 3.086 27.416 123 HA HIS 19 HA HIS 19 115.473 1.601 27.178 124 HB2 HIS 19 HB2 HIS 19 115.171 2.875 29.197 125 HB3 HIS 19 HB1 HIS 19 113.586 2.159 29.480 126 HD1 HIS 19 HD1 HIS 19 116.349 -0.076 28.353 127 HD2 HIS 19 HD2 HIS 19 114.561 1.024 31.954 128 HE1 HIS 19 HE1 HIS 19 117.160 -1.730 30.090 129 H LYS 20 HN LYS 20 112.012 0.852 27.745 130 HA LYS 20 HA LYS 20 112.651 -2.050 27.736 131 HB2 LYS 20 HB2 LYS 20 110.286 -2.366 28.320 132 HB3 LYS 20 HB1 LYS 20 111.060 -1.227 29.415 133 HG2 LYS 20 HG2 LYS 20 109.247 0.100 28.960 134 HG3 LYS 20 HG1 LYS 20 110.114 0.498 27.487 135 HD2 LYS 20 HD2 LYS 20 108.928 -1.406 26.345 136 HD3 LYS 20 HD1 LYS 20 107.991 -1.643 27.815 137 HE2 LYS 20 HE2 LYS 20 106.574 -0.262 26.573 138 HE3 LYS 20 HE1 LYS 20 107.444 0.918 27.548 139 HZ1 LYS 20 HZ1 LYS 20 108.352 1.796 25.744 140 HZ2 LYS 20 HZ2 LYS 20 107.296 0.844 24.814 141 HZ3 LYS 20 HZ3 LYS 20 108.861 0.285 25.165 142 H VAL 21 HN VAL 21 112.265 0.167 25.357 143 HA VAL 21 HA VAL 21 110.399 -1.362 23.669 144 HB VAL 21 HB VAL 21 112.157 1.051 23.115 145 HG11 VAL 21 HG11 VAL 21 111.950 -0.114 21.019 146 HG12 VAL 21 HG12 VAL 21 110.748 1.175 20.991 147 HG13 VAL 21 HG13 VAL 21 110.254 -0.485 21.323 148 HG21 VAL 21 HG21 VAL 21 110.181 1.393 24.582 149 HG22 VAL 21 HG22 VAL 21 109.148 0.714 23.326 150 HG23 VAL 21 HG23 VAL 21 110.005 2.228 23.040 151 H ARG 22 HN ARG 22 111.064 -3.220 22.808 152 HA ARG 22 HA ARG 22 113.927 -3.519 21.975 153 HB2 ARG 22 HB2 ARG 22 113.231 -5.120 23.681 154 HB3 ARG 22 HB1 ARG 22 111.831 -5.576 22.715 155 HG2 ARG 22 HG2 ARG 22 113.709 -7.213 22.514 156 HG3 ARG 22 HG1 ARG 22 113.296 -6.487 20.963 157 HD2 ARG 22 HD2 ARG 22 115.226 -5.158 20.926 158 HD3 ARG 22 HD1 ARG 22 115.438 -5.236 22.675 159 HE ARG 22 HE ARG 22 115.756 -7.862 21.850 160 HH11 ARG 22 HH21 ARG 22 117.079 -4.790 21.022 161 HH12 ARG 22 HH22 ARG 22 118.627 -5.426 20.576 162 HH21 ARG 22 HH11 ARG 22 117.770 -8.714 21.273 163 HH22 ARG 22 HH12 ARG 22 119.018 -7.649 20.717 164 H ALA 23 HN ALA 23 114.367 -3.983 19.860 165 HA ALA 23 HA ALA 23 112.164 -4.807 18.043 166 HB1 ALA 23 HB1 ALA 23 112.500 -3.025 16.507 167 HB2 ALA 23 HB2 ALA 23 113.995 -2.518 17.294 168 HB3 ALA 23 HB3 ALA 23 112.443 -2.238 18.084 169 H GLY 24 HN GLY 24 112.999 -6.639 17.164 170 HA2 GLY 24 HA2 GLY 24 115.662 -6.530 15.888 171 HA3 GLY 24 HA1 GLY 24 115.480 -7.705 17.192 172 H GLY 25 HN GLY 25 115.537 -7.615 13.977 173 HA2 GLY 25 HA2 GLY 25 114.299 -10.149 13.617 174 HA3 GLY 25 HA1 GLY 25 113.156 -8.911 13.113 175 H THR 26 HN THR 26 113.649 -10.250 11.019 176 HA THR 26 HA THR 26 116.170 -9.610 9.684 177 HB THR 26 HB THR 26 114.945 -10.610 7.676 178 HG1 THR 26 HG1 THR 26 112.928 -10.320 9.429 179 HG21 THR 26 HG21 THR 26 115.158 -12.873 8.513 180 HG22 THR 26 HG22 THR 26 115.002 -12.315 10.179 181 HG23 THR 26 HG23 THR 26 116.433 -11.894 9.238 182 H GLY 27 HN GLY 27 112.977 -8.227 9.910 183 HA2 GLY 27 HA2 GLY 27 113.066 -6.617 7.529 184 HA3 GLY 27 HA1 GLY 27 112.057 -6.291 8.943 185 H LEU 28 HN LEU 28 114.693 -6.494 10.531 186 HA LEU 28 HA LEU 28 115.383 -3.617 10.264 187 HB2 LEU 28 HB2 LEU 28 115.809 -5.733 12.374 188 HB3 LEU 28 HB1 LEU 28 116.761 -4.254 12.404 189 HG LEU 28 HG LEU 28 113.754 -4.100 12.171 190 HD11 LEU 28 HD11 LEU 28 114.007 -5.482 14.109 191 HD12 LEU 28 HD12 LEU 28 113.776 -3.840 14.709 192 HD13 LEU 28 HD13 LEU 28 115.390 -4.547 14.677 193 HD21 LEU 28 HD21 LEU 28 115.910 -2.298 13.332 194 HD22 LEU 28 HD22 LEU 28 114.183 -1.959 13.417 195 HD23 LEU 28 HD23 LEU 28 114.991 -2.018 11.854 196 H GLU 29 HN GLU 29 116.246 -5.591 8.266 197 HA GLU 29 HA GLU 29 119.188 -5.144 8.493 198 HB2 GLU 29 HB2 GLU 29 118.066 -7.768 7.499 199 HB3 GLU 29 HB1 GLU 29 119.724 -7.392 7.973 200 HG2 GLU 29 HG2 GLU 29 118.904 -7.011 10.316 201 HG3 GLU 29 HG1 GLU 29 117.313 -7.570 9.801 202 H ARG 30 HN ARG 30 116.590 -6.366 6.318 203 HA ARG 30 HA ARG 30 117.240 -4.404 4.300 204 HB2 ARG 30 HB2 ARG 30 118.120 -6.033 2.598 205 HB3 ARG 30 HB1 ARG 30 119.224 -5.746 3.944 206 HG2 ARG 30 HG2 ARG 30 118.417 -7.798 5.051 207 HG3 ARG 30 HG1 ARG 30 117.311 -8.088 3.708 208 HD2 ARG 30 HD2 ARG 30 119.288 -8.140 2.166 209 HD3 ARG 30 HD1 ARG 30 120.338 -8.023 3.578 210 HE ARG 30 HE ARG 30 118.709 -10.195 4.140 211 HH11 ARG 30 HH21 ARG 30 120.745 -9.195 1.544 212 HH12 ARG 30 HH22 ARG 30 121.171 -10.808 1.080 213 HH21 ARG 30 HH11 ARG 30 119.254 -12.309 3.549 214 HH22 ARG 30 HH12 ARG 30 120.328 -12.571 2.215 215 H GLY 31 HN GLY 31 116.155 -5.065 2.131 216 HA2 GLY 31 HA2 GLY 31 113.910 -6.963 2.422 217 HA3 GLY 31 HA1 GLY 31 113.474 -5.265 2.190 218 H VAL 32 HN VAL 32 112.624 -6.804 0.157 219 HA VAL 32 HA VAL 32 114.585 -6.211 -2.023 220 HB VAL 32 HB VAL 32 113.092 -8.775 -1.524 221 HG11 VAL 32 HG11 VAL 32 114.104 -9.444 -3.807 222 HG12 VAL 32 HG12 VAL 32 114.235 -7.711 -4.102 223 HG13 VAL 32 HG13 VAL 32 112.657 -8.437 -3.825 224 HG21 VAL 32 HG21 VAL 32 115.980 -8.434 -2.306 225 HG22 VAL 32 HG22 VAL 32 115.216 -9.789 -1.481 226 HG23 VAL 32 HG23 VAL 32 115.470 -8.269 -0.626 227 H ALA 33 HN ALA 33 113.682 -5.786 -4.062 228 HA ALA 33 HA ALA 33 111.571 -4.065 -4.271 229 HB1 ALA 33 HB1 ALA 33 111.424 -5.606 -6.668 230 HB2 ALA 33 HB2 ALA 33 113.087 -5.706 -6.108 231 HB3 ALA 33 HB3 ALA 33 112.354 -4.133 -6.403 232 H GLY 34 HN GLY 34 109.527 -4.247 -3.598 233 HA2 GLY 34 HA2 GLY 34 107.368 -5.063 -3.276 234 HA3 GLY 34 HA1 GLY 34 107.624 -5.928 -4.784 235 H VAL 35 HN VAL 35 109.205 -6.333 -1.604 236 HA VAL 35 HA VAL 35 108.116 -9.111 -1.547 237 HB VAL 35 HB VAL 35 110.913 -8.148 -0.978 238 HG11 VAL 35 HG11 VAL 35 111.282 -10.585 -0.250 239 HG12 VAL 35 HG12 VAL 35 109.530 -10.683 -0.072 240 HG13 VAL 35 HG13 VAL 35 110.454 -9.541 0.905 241 HG21 VAL 35 HG21 VAL 35 109.720 -10.333 -2.719 242 HG22 VAL 35 HG22 VAL 35 111.446 -10.043 -2.530 243 HG23 VAL 35 HG23 VAL 35 110.424 -8.818 -3.282 244 HA PRO 36 HA PRO 36 106.592 -7.364 2.330 245 HB2 PRO 36 HB2 PRO 36 105.906 -9.974 3.378 246 HB3 PRO 36 HB1 PRO 36 104.814 -8.746 2.723 247 HG2 PRO 36 HG2 PRO 36 105.626 -11.242 1.485 248 HG3 PRO 36 HG1 PRO 36 104.488 -10.038 0.862 249 HD2 PRO 36 HD2 PRO 36 107.155 -10.577 -0.087 250 HD3 PRO 36 HD1 PRO 36 106.033 -9.323 -0.664 251 H ALA 37 HN ALA 37 108.038 -6.772 3.860 252 HA ALA 37 HA ALA 37 109.953 -8.825 4.946 253 HB1 ALA 37 HB1 ALA 37 111.296 -6.671 5.542 254 HB2 ALA 37 HB2 ALA 37 110.265 -5.883 4.347 255 HB3 ALA 37 HB3 ALA 37 111.309 -7.218 3.865 256 H GLU 38 HN GLU 38 110.467 -8.453 7.307 257 HA GLU 38 HA GLU 38 108.709 -6.662 8.784 258 HB2 GLU 38 HB2 GLU 38 107.269 -8.244 9.811 259 HB3 GLU 38 HB1 GLU 38 107.262 -8.678 8.101 260 HG2 GLU 38 HG2 GLU 38 109.209 -10.288 8.736 261 HG3 GLU 38 HG1 GLU 38 108.662 -10.048 10.401 262 H PHE 39 HN PHE 39 108.806 -7.163 11.167 263 HA PHE 39 HA PHE 39 111.110 -8.648 12.114 264 HB2 PHE 39 HB2 PHE 39 112.291 -6.744 13.116 265 HB3 PHE 39 HB1 PHE 39 112.206 -6.551 11.369 266 HD1 PHE 39 HD2 PHE 39 110.033 -5.264 10.516 267 HD2 PHE 39 HD1 PHE 39 111.711 -4.909 14.446 268 HE1 PHE 39 HE2 PHE 39 108.923 -3.065 10.785 269 HE2 PHE 39 HE1 PHE 39 110.612 -2.706 14.716 270 HZ PHE 39 HZ PHE 39 109.215 -1.783 12.887 271 H SER 40 HN SER 40 111.197 -8.448 14.546 272 HA SER 40 HA SER 40 108.401 -8.293 15.556 273 HB2 SER 40 HB2 SER 40 110.901 -9.601 16.647 274 HB3 SER 40 HB1 SER 40 109.374 -9.542 17.523 275 HG SER 40 HG SER 40 109.786 -11.452 16.158 276 H ILE 41 HN ILE 41 107.873 -7.131 17.435 277 HA ILE 41 HA ILE 41 109.952 -5.333 18.605 278 HB ILE 41 HB ILE 41 107.224 -4.476 17.583 279 HG12 ILE 41 HG12 ILE 41 110.001 -3.469 16.886 280 HG13 ILE 41 HG11 ILE 41 109.113 -4.643 15.918 281 HG21 ILE 41 HG21 ILE 41 108.029 -2.199 18.427 282 HG22 ILE 41 HG22 ILE 41 109.265 -3.077 19.326 283 HG23 ILE 41 HG23 ILE 41 107.559 -3.356 19.671 284 HD11 ILE 41 HD11 ILE 41 108.131 -2.920 14.846 285 HD12 ILE 41 HD12 ILE 41 108.864 -1.758 15.947 286 HD13 ILE 41 HD13 ILE 41 107.310 -2.488 16.345 287 H TRP 42 HN TRP 42 109.954 -6.285 20.622 288 HA TRP 42 HA TRP 42 107.330 -6.859 21.936 289 HB2 TRP 42 HB2 TRP 42 108.584 -8.762 22.303 290 HB3 TRP 42 HB1 TRP 42 110.108 -7.903 22.156 291 HD1 TRP 42 HD1 TRP 42 111.402 -7.882 24.328 292 HE1 TRP 42 HE1 TRP 42 110.824 -7.835 26.839 293 HE3 TRP 42 HE3 TRP 42 106.301 -7.804 24.059 294 HZ2 TRP 42 HZ2 TRP 42 108.507 -7.772 28.513 295 HZ3 TRP 42 HZ3 TRP 42 104.935 -7.750 26.128 296 HH2 TRP 42 HH2 TRP 42 106.031 -7.734 28.352 297 H THR 43 HN THR 43 106.619 -5.587 23.588 298 HA THR 43 HA THR 43 108.443 -3.975 25.194 299 HB THR 43 HB THR 43 108.390 -2.490 23.318 300 HG1 THR 43 HG1 THR 43 107.672 -0.770 24.348 301 HG21 THR 43 HG21 THR 43 105.384 -2.859 23.318 302 HG22 THR 43 HG22 THR 43 106.503 -3.530 22.133 303 HG23 THR 43 HG23 THR 43 106.284 -1.785 22.249 304 H ARG 44 HN ARG 44 105.760 -2.162 25.174 305 HA ARG 44 HA ARG 44 103.893 -2.009 26.576 306 HB2 ARG 44 HB2 ARG 44 103.803 -5.028 26.606 307 HB3 ARG 44 HB1 ARG 44 102.462 -3.885 26.688 308 HG2 ARG 44 HG2 ARG 44 103.197 -3.124 24.336 309 HG3 ARG 44 HG1 ARG 44 104.165 -4.598 24.297 310 HD2 ARG 44 HD2 ARG 44 101.164 -4.413 24.670 311 HD3 ARG 44 HD1 ARG 44 102.018 -5.071 23.274 312 HE ARG 44 HE ARG 44 102.951 -6.596 25.387 313 HH11 ARG 44 HH21 ARG 44 99.871 -5.684 24.134 314 HH12 ARG 44 HH22 ARG 44 99.086 -7.144 24.635 315 HH21 ARG 44 HH11 ARG 44 101.942 -8.508 26.050 316 HH22 ARG 44 HH12 ARG 44 100.258 -8.742 25.720 317 H GLU 45 HN GLU 45 105.400 -1.270 28.278 318 HA GLU 45 HA GLU 45 105.137 -2.925 30.667 319 HB2 GLU 45 HB2 GLU 45 107.340 -3.583 29.323 320 HB3 GLU 45 HB1 GLU 45 107.979 -2.123 30.074 321 HG2 GLU 45 HG2 GLU 45 108.503 -3.893 31.581 322 HG3 GLU 45 HG1 GLU 45 107.121 -3.062 32.295 323 H ALA 46 HN ALA 46 106.768 -0.065 29.245 324 HA ALA 46 HA ALA 46 106.962 1.410 31.671 325 HB1 ALA 46 HB1 ALA 46 107.244 3.374 30.286 326 HB2 ALA 46 HB2 ALA 46 106.500 2.561 28.910 327 HB3 ALA 46 HB3 ALA 46 108.070 2.030 29.507 328 H GLY 47 HN GLY 47 104.526 1.776 29.073 329 HA2 GLY 47 HA2 GLY 47 102.235 1.629 30.585 330 HA3 GLY 47 HA1 GLY 47 102.787 3.279 30.857 331 H ALA 48 HN ALA 48 100.505 3.445 29.743 332 HA ALA 48 HA ALA 48 100.088 2.933 27.010 333 HB1 ALA 48 HB1 ALA 48 99.155 5.462 28.379 334 HB2 ALA 48 HB2 ALA 48 98.442 3.889 28.732 335 HB3 ALA 48 HB3 ALA 48 98.346 4.556 27.101 336 H GLY 49 HN GLY 49 100.121 4.544 25.195 337 HA2 GLY 49 HA2 GLY 49 101.564 6.958 25.207 338 HA3 GLY 49 HA1 GLY 49 102.748 5.685 24.909 339 H GLY 50 HN GLY 50 102.963 6.807 22.778 340 HA2 GLY 50 HA2 GLY 50 101.059 5.621 20.816 341 HA3 GLY 50 HA1 GLY 50 101.367 7.358 20.739 342 H LEU 51 HN LEU 51 102.169 4.711 19.156 343 HA LEU 51 HA LEU 51 105.091 5.297 18.915 344 HB2 LEU 51 HB2 LEU 51 104.297 2.922 19.310 345 HB3 LEU 51 HB1 LEU 51 103.505 2.999 17.740 346 HG LEU 51 HG LEU 51 105.870 3.713 16.850 347 HD11 LEU 51 HD11 LEU 51 107.690 2.572 18.188 348 HD12 LEU 51 HD12 LEU 51 106.540 2.431 19.515 349 HD13 LEU 51 HD13 LEU 51 107.031 4.021 18.936 350 HD21 LEU 51 HD21 LEU 51 104.758 1.592 16.283 351 HD22 LEU 51 HD22 LEU 51 105.313 0.886 17.800 352 HD23 LEU 51 HD23 LEU 51 106.481 1.331 16.556 353 H SER 52 HN SER 52 105.202 7.046 17.529 354 HA SER 52 HA SER 52 103.561 7.101 15.071 355 HB2 SER 52 HB2 SER 52 105.751 9.038 15.811 356 HB3 SER 52 HB1 SER 52 104.355 9.315 14.775 357 HG SER 52 HG SER 52 104.553 9.783 17.342 358 H ILE 53 HN ILE 53 104.429 6.660 12.961 359 HA ILE 53 HA ILE 53 107.356 5.969 12.887 360 HB ILE 53 HB ILE 53 105.099 4.516 11.489 361 HG12 ILE 53 HG12 ILE 53 106.948 3.525 13.675 362 HG13 ILE 53 HG11 ILE 53 105.328 4.148 13.989 363 HG21 ILE 53 HG21 ILE 53 108.103 4.230 11.453 364 HG22 ILE 53 HG22 ILE 53 107.006 4.397 10.085 365 HG23 ILE 53 HG23 ILE 53 107.038 2.897 11.009 366 HD11 ILE 53 HD11 ILE 53 105.928 1.854 12.101 367 HD12 ILE 53 HD12 ILE 53 104.335 2.422 12.599 368 HD13 ILE 53 HD13 ILE 53 105.402 1.650 13.772 369 H ALA 54 HN ALA 54 108.292 7.463 11.597 370 HA ALA 54 HA ALA 54 106.772 8.538 9.257 371 HB1 ALA 54 HB1 ALA 54 107.875 10.081 10.995 372 HB2 ALA 54 HB2 ALA 54 108.259 10.398 9.304 373 HB3 ALA 54 HB3 ALA 54 109.417 9.548 10.326 374 H VAL 55 HN VAL 55 107.121 7.178 7.553 375 HA VAL 55 HA VAL 55 109.868 6.101 7.088 376 HB VAL 55 HB VAL 55 108.401 4.848 5.212 377 HG11 VAL 55 HG11 VAL 55 108.314 4.123 8.158 378 HG12 VAL 55 HG12 VAL 55 109.634 3.745 7.052 379 HG13 VAL 55 HG13 VAL 55 108.047 3.013 6.814 380 HG21 VAL 55 HG21 VAL 55 106.391 6.279 5.979 381 HG22 VAL 55 HG22 VAL 55 106.353 5.240 7.402 382 HG23 VAL 55 HG23 VAL 55 106.124 4.546 5.797 383 H GLU 56 HN GLU 56 110.954 6.553 5.187 384 HA GLU 56 HA GLU 56 109.624 8.229 3.141 385 HB2 GLU 56 HB2 GLU 56 110.551 10.067 4.191 386 HB3 GLU 56 HB1 GLU 56 111.820 9.126 4.954 387 HG2 GLU 56 HG2 GLU 56 113.100 9.065 2.912 388 HG3 GLU 56 HG1 GLU 56 111.765 9.734 1.991 389 H GLY 57 HN GLY 57 110.481 7.905 1.072 390 HA2 GLY 57 HA2 GLY 57 112.928 6.783 0.354 391 HA3 GLY 57 HA1 GLY 57 111.873 5.410 0.684 392 HA PRO 58 HA PRO 58 111.294 6.879 -3.725 393 HB2 PRO 58 HB2 PRO 58 111.429 4.081 -4.526 394 HB3 PRO 58 HB1 PRO 58 112.513 5.413 -4.933 395 HG2 PRO 58 HG2 PRO 58 113.080 3.231 -3.171 396 HG3 PRO 58 HG1 PRO 58 114.101 4.648 -3.462 397 HD2 PRO 58 HD2 PRO 58 112.461 4.037 -1.107 398 HD3 PRO 58 HD1 PRO 58 113.660 5.330 -1.316 399 H SER 59 HN SER 59 109.885 4.327 -1.772 400 HA SER 59 HA SER 59 107.231 4.928 -3.016 401 HB2 SER 59 HB2 SER 59 108.518 2.213 -2.747 402 HB3 SER 59 HB1 SER 59 106.769 2.394 -2.836 403 HG SER 59 HG SER 59 108.444 3.679 -4.699 404 H LYS 60 HN LYS 60 105.432 3.983 -1.640 405 HA LYS 60 HA LYS 60 106.048 4.541 1.202 406 HB2 LYS 60 HB2 LYS 60 103.344 3.903 0.001 407 HB3 LYS 60 HB1 LYS 60 103.688 4.757 1.504 408 HG2 LYS 60 HG2 LYS 60 104.699 6.613 0.231 409 HG3 LYS 60 HG1 LYS 60 104.393 5.754 -1.275 410 HD2 LYS 60 HD2 LYS 60 102.552 7.200 -1.159 411 HD3 LYS 60 HD1 LYS 60 101.899 5.716 -0.470 412 HE2 LYS 60 HE2 LYS 60 102.246 6.557 1.790 413 HE3 LYS 60 HE1 LYS 60 103.066 7.989 1.168 414 HZ1 LYS 60 HZ1 LYS 60 100.216 7.291 1.077 415 HZ2 LYS 60 HZ2 LYS 60 100.863 8.272 -0.149 416 HZ3 LYS 60 HZ3 LYS 60 100.951 8.767 1.474 417 H ALA 61 HN ALA 61 106.330 2.920 2.655 418 HA ALA 61 HA ALA 61 105.874 0.136 1.798 419 HB1 ALA 61 HB1 ALA 61 107.909 1.063 3.145 420 HB2 ALA 61 HB2 ALA 61 107.226 -0.492 3.611 421 HB3 ALA 61 HB3 ALA 61 106.832 0.956 4.537 422 H GLU 62 HN GLU 62 104.195 -1.142 2.523 423 HA GLU 62 HA GLU 62 102.099 0.193 4.130 424 HB2 GLU 62 HB2 GLU 62 101.709 -1.229 1.984 425 HB3 GLU 62 HB1 GLU 62 101.923 -2.620 3.046 426 HG2 GLU 62 HG2 GLU 62 100.159 -1.599 4.561 427 HG3 GLU 62 HG1 GLU 62 99.837 -0.439 3.271 428 H ILE 63 HN ILE 63 102.901 0.176 6.230 429 HA ILE 63 HA ILE 63 104.154 -1.999 7.568 430 HB ILE 63 HB ILE 63 102.576 0.401 8.512 431 HG12 ILE 63 HG12 ILE 63 104.834 1.044 9.387 432 HG13 ILE 63 HG11 ILE 63 105.496 -0.418 8.659 433 HG21 ILE 63 HG21 ILE 63 103.669 -1.898 10.125 434 HG22 ILE 63 HG22 ILE 63 102.121 -1.070 10.288 435 HG23 ILE 63 HG23 ILE 63 103.603 -0.277 10.821 436 HD11 ILE 63 HD11 ILE 63 103.936 1.570 7.007 437 HD12 ILE 63 HD12 ILE 63 105.086 0.347 6.463 438 HD13 ILE 63 HD13 ILE 63 105.661 1.784 7.305 439 H ALA 64 HN ALA 64 103.214 -3.533 9.104 440 HA ALA 64 HA ALA 64 100.275 -3.797 9.121 441 HB1 ALA 64 HB1 ALA 64 102.109 -5.602 7.606 442 HB2 ALA 64 HB2 ALA 64 100.445 -5.153 7.252 443 HB3 ALA 64 HB3 ALA 64 100.785 -6.366 8.486 444 H PHE 65 HN PHE 65 99.738 -4.313 11.187 445 HA PHE 65 HA PHE 65 101.830 -5.341 13.009 446 HB2 PHE 65 HB2 PHE 65 100.207 -4.879 14.780 447 HB3 PHE 65 HB1 PHE 65 100.323 -3.480 13.713 448 HD1 PHE 65 HD1 PHE 65 98.556 -3.056 12.003 449 HD2 PHE 65 HD2 PHE 65 98.187 -6.171 14.937 450 HE1 PHE 65 HE1 PHE 65 96.125 -3.208 11.535 451 HE2 PHE 65 HE2 PHE 65 95.756 -6.323 14.470 452 HZ PHE 65 HZ PHE 65 94.726 -4.841 12.769 453 H GLU 66 HN GLU 66 102.010 -7.490 13.441 454 HA GLU 66 HA GLU 66 99.574 -9.208 13.319 455 HB2 GLU 66 HB2 GLU 66 100.650 -9.446 11.125 456 HB3 GLU 66 HB1 GLU 66 102.190 -9.810 11.905 457 HG2 GLU 66 HG2 GLU 66 101.330 -11.856 12.838 458 HG3 GLU 66 HG1 GLU 66 99.682 -11.446 12.357 459 H ASP 67 HN ASP 67 99.497 -9.985 15.374 460 HA ASP 67 HA ASP 67 101.938 -10.405 16.938 461 HB2 ASP 67 HB2 ASP 67 100.413 -11.141 18.708 462 HB3 ASP 67 HB1 ASP 67 99.802 -9.651 17.989 463 H ARG 68 HN ARG 68 103.077 -12.295 16.984 464 HA ARG 68 HA ARG 68 101.778 -14.763 15.857 465 HB2 ARG 68 HB2 ARG 68 103.701 -13.710 14.538 466 HB3 ARG 68 HB1 ARG 68 104.744 -14.174 15.884 467 HG2 ARG 68 HG2 ARG 68 103.979 -16.531 15.623 468 HG3 ARG 68 HG1 ARG 68 103.033 -16.043 14.216 469 HD2 ARG 68 HD2 ARG 68 104.999 -15.432 12.993 470 HD3 ARG 68 HD1 ARG 68 106.011 -15.556 14.431 471 HE ARG 68 HE ARG 68 104.952 -18.099 14.154 472 HH11 ARG 68 HH21 ARG 68 106.639 -15.862 12.147 473 HH12 ARG 68 HH22 ARG 68 107.421 -17.090 11.208 474 HH21 ARG 68 HH11 ARG 68 105.963 -19.716 12.941 475 HH22 ARG 68 HH12 ARG 68 107.040 -19.272 11.659 476 H LYS 69 HN LYS 69 103.659 -13.363 18.447 477 HA LYS 69 HA LYS 69 103.675 -16.016 19.860 478 HB2 LYS 69 HB2 LYS 69 105.469 -13.672 20.524 479 HB3 LYS 69 HB1 LYS 69 105.671 -15.370 20.962 480 HG2 LYS 69 HG2 LYS 69 105.857 -15.851 18.458 481 HG3 LYS 69 HG1 LYS 69 106.009 -14.107 18.236 482 HD2 LYS 69 HD2 LYS 69 107.951 -14.085 19.766 483 HD3 LYS 69 HD1 LYS 69 107.809 -15.832 19.964 484 HE2 LYS 69 HE2 LYS 69 109.521 -15.289 18.278 485 HE3 LYS 69 HE1 LYS 69 108.162 -16.134 17.536 486 HZ1 LYS 69 HZ1 LYS 69 107.616 -14.352 16.332 487 HZ2 LYS 69 HZ2 LYS 69 109.181 -13.790 16.680 488 HZ3 LYS 69 HZ3 LYS 69 107.861 -13.271 17.616 489 H ASP 70 HN ASP 70 102.170 -13.060 19.692 490 HA ASP 70 HA ASP 70 100.614 -12.058 21.137 491 HB2 ASP 70 HB2 ASP 70 100.481 -14.631 21.896 492 HB3 ASP 70 HB1 ASP 70 101.216 -13.991 23.357 493 H GLY 71 HN GLY 71 103.773 -13.006 22.310 494 HA2 GLY 71 HA2 GLY 71 103.812 -10.719 24.226 495 HA3 GLY 71 HA1 GLY 71 104.938 -12.074 24.223 496 H SER 72 HN SER 72 104.146 -10.767 21.146 497 HA SER 72 HA SER 72 106.393 -8.862 21.111 498 HB2 SER 72 HB2 SER 72 107.732 -10.729 20.622 499 HB3 SER 72 HB1 SER 72 106.446 -11.538 19.730 500 HG SER 72 HG SER 72 106.984 -10.460 17.997 501 H CYS 73 HN CYS 73 105.844 -7.218 19.745 502 HA CYS 73 HA CYS 73 103.412 -7.531 18.094 503 HB2 CYS 73 HB2 CYS 73 105.204 -5.125 18.546 504 HB3 CYS 73 HB1 CYS 73 103.665 -5.104 17.690 505 HG CYS 73 HG CYS 73 103.098 -6.275 20.346 506 H GLY 74 HN GLY 74 103.653 -8.394 16.099 507 HA2 GLY 74 HA2 GLY 74 106.225 -8.182 14.673 508 HA3 GLY 74 HA1 GLY 74 104.828 -9.125 14.158 509 H VAL 75 HN VAL 75 106.601 -6.405 13.488 510 HA VAL 75 HA VAL 75 104.294 -4.970 12.192 511 HB VAL 75 HB VAL 75 107.116 -3.964 12.693 512 HG11 VAL 75 HG11 VAL 75 105.642 -2.900 10.887 513 HG12 VAL 75 HG12 VAL 75 106.234 -1.814 12.144 514 HG13 VAL 75 HG13 VAL 75 104.574 -2.404 12.201 515 HG21 VAL 75 HG21 VAL 75 105.850 -2.612 14.515 516 HG22 VAL 75 HG22 VAL 75 106.227 -4.299 14.866 517 HG23 VAL 75 HG23 VAL 75 104.598 -3.845 14.366 518 H SER 76 HN SER 76 104.060 -5.884 10.207 519 HA SER 76 HA SER 76 106.470 -6.483 8.579 520 HB2 SER 76 HB2 SER 76 103.565 -7.252 8.319 521 HB3 SER 76 HB1 SER 76 104.741 -7.556 7.046 522 HG SER 76 HG SER 76 104.253 -9.115 9.002 523 H TYR 77 HN TYR 77 107.038 -5.240 6.879 524 HA TYR 77 HA TYR 77 105.069 -3.226 5.846 525 HB2 TYR 77 HB2 TYR 77 106.918 -1.629 5.621 526 HB3 TYR 77 HB1 TYR 77 106.761 -2.139 7.300 527 HD1 TYR 77 HD1 TYR 77 108.718 -2.598 4.183 528 HD2 TYR 77 HD2 TYR 77 108.480 -3.402 8.394 529 HE1 TYR 77 HE1 TYR 77 111.066 -3.395 4.163 530 HE2 TYR 77 HE2 TYR 77 110.827 -4.201 8.375 531 HH TYR 77 HH TYR 77 112.397 -5.235 6.070 532 H VAL 78 HN VAL 78 104.913 -3.176 3.629 533 HA VAL 78 HA VAL 78 106.748 -5.006 2.113 534 HB VAL 78 HB VAL 78 104.238 -5.386 2.066 535 HG11 VAL 78 HG11 VAL 78 102.789 -3.884 1.025 536 HG12 VAL 78 HG12 VAL 78 104.077 -3.100 0.113 537 HG13 VAL 78 HG13 VAL 78 103.891 -2.774 1.834 538 HG21 VAL 78 HG21 VAL 78 105.622 -4.767 -0.563 539 HG22 VAL 78 HG22 VAL 78 104.223 -5.822 -0.362 540 HG23 VAL 78 HG23 VAL 78 105.775 -6.271 0.346 541 H VAL 79 HN VAL 79 108.382 -3.943 1.133 542 HA VAL 79 HA VAL 79 108.071 -1.097 0.412 543 HB VAL 79 HB VAL 79 110.534 -1.519 -0.386 544 HG11 VAL 79 HG11 VAL 79 111.072 -1.789 2.306 545 HG12 VAL 79 HG12 VAL 79 109.387 -1.288 2.364 546 HG13 VAL 79 HG13 VAL 79 110.578 -0.273 1.555 547 HG21 VAL 79 HG21 VAL 79 110.265 -3.894 1.470 548 HG22 VAL 79 HG22 VAL 79 111.590 -3.496 0.379 549 HG23 VAL 79 HG23 VAL 79 110.060 -4.074 -0.274 550 H GLN 80 HN GLN 80 108.594 -0.376 -1.833 551 HA GLN 80 HA GLN 80 107.505 -2.310 -3.808 552 HB2 GLN 80 HB2 GLN 80 106.660 0.129 -3.468 553 HB3 GLN 80 HB1 GLN 80 108.105 0.593 -4.363 554 HG2 GLN 80 HG2 GLN 80 107.398 -1.019 -6.175 555 HG3 GLN 80 HG1 GLN 80 105.873 -1.220 -5.312 556 HE21 GLN 80 HE21 GLN 80 105.956 -0.088 -7.947 557 HE22 GLN 80 HE22 GLN 80 105.500 1.543 -7.840 558 H GLU 81 HN GLU 81 110.296 -0.026 -3.541 559 HA GLU 81 HA GLU 81 111.829 -1.915 -5.230 560 HB2 GLU 81 HB2 GLU 81 111.324 0.985 -5.899 561 HB3 GLU 81 HB1 GLU 81 112.621 0.059 -6.640 562 HG2 GLU 81 HG2 GLU 81 109.676 -0.664 -6.752 563 HG3 GLU 81 HG1 GLU 81 110.589 0.093 -8.051 564 HA PRO 82 HA PRO 82 115.424 -1.264 -2.748 565 HB2 PRO 82 HB2 PRO 82 116.713 -0.344 -5.282 566 HB3 PRO 82 HB1 PRO 82 117.306 -1.502 -4.074 567 HG2 PRO 82 HG2 PRO 82 116.162 -2.312 -6.433 568 HG3 PRO 82 HG1 PRO 82 116.063 -3.225 -4.936 569 HD2 PRO 82 HD2 PRO 82 113.894 -1.828 -6.309 570 HD3 PRO 82 HD1 PRO 82 113.818 -3.016 -5.001 571 H GLY 83 HN GLY 83 116.920 0.364 -2.052 572 HA2 GLY 83 HA2 GLY 83 117.426 2.911 -2.653 573 HA3 GLY 83 HA1 GLY 83 115.723 3.087 -2.228 574 H ASP 84 HN ASP 84 117.318 4.511 -0.692 575 HA ASP 84 HA ASP 84 118.052 2.964 1.730 576 HB2 ASP 84 HB2 ASP 84 118.310 5.961 1.371 577 HB3 ASP 84 HB1 ASP 84 119.221 4.904 2.448 578 H TYR 85 HN TYR 85 115.833 2.444 2.275 579 HA TYR 85 HA TYR 85 113.840 4.482 2.670 580 HB2 TYR 85 HB2 TYR 85 114.162 1.583 3.153 581 HB3 TYR 85 HB1 TYR 85 113.077 2.372 4.299 582 HD1 TYR 85 HD2 TYR 85 111.016 3.462 3.516 583 HD2 TYR 85 HD1 TYR 85 113.629 1.391 0.812 584 HE1 TYR 85 HE2 TYR 85 109.226 3.438 1.807 585 HE2 TYR 85 HE1 TYR 85 111.842 1.363 -0.900 586 HH TYR 85 HH TYR 85 109.362 1.495 -0.965 587 H GLU 86 HN GLU 86 113.481 5.728 4.456 588 HA GLU 86 HA GLU 86 115.320 5.314 6.805 589 HB2 GLU 86 HB2 GLU 86 114.588 7.945 7.014 590 HB3 GLU 86 HB1 GLU 86 116.023 7.412 6.145 591 HG2 GLU 86 HG2 GLU 86 113.383 7.509 4.702 592 HG3 GLU 86 HG1 GLU 86 114.279 9.001 4.945 593 H VAL 87 HN VAL 87 114.255 4.689 8.592 594 HA VAL 87 HA VAL 87 111.356 5.413 8.888 595 HB VAL 87 HB VAL 87 111.892 2.982 8.581 596 HG11 VAL 87 HG11 VAL 87 113.102 1.779 10.227 597 HG12 VAL 87 HG12 VAL 87 113.092 3.141 11.348 598 HG13 VAL 87 HG13 VAL 87 114.085 3.203 9.891 599 HG21 VAL 87 HG21 VAL 87 109.898 3.855 9.866 600 HG22 VAL 87 HG22 VAL 87 110.838 3.652 11.343 601 HG23 VAL 87 HG23 VAL 87 110.426 2.247 10.361 602 H SER 88 HN SER 88 110.659 6.178 10.869 603 HA SER 88 HA SER 88 112.679 6.569 13.030 604 HB2 SER 88 HB2 SER 88 112.291 8.870 13.195 605 HB3 SER 88 HB1 SER 88 112.238 8.635 11.450 606 HG SER 88 HG SER 88 109.940 8.438 13.092 607 H ILE 89 HN ILE 89 111.800 5.405 14.665 608 HA ILE 89 HA ILE 89 108.844 5.627 15.139 609 HB ILE 89 HB ILE 89 108.812 3.394 15.840 610 HG12 ILE 89 HG12 ILE 89 111.797 3.722 16.205 611 HG13 ILE 89 HG11 ILE 89 110.599 3.306 17.424 612 HG21 ILE 89 HG21 ILE 89 111.014 3.322 13.772 613 HG22 ILE 89 HG22 ILE 89 109.365 3.795 13.369 614 HG23 ILE 89 HG23 ILE 89 109.689 2.178 13.989 615 HD11 ILE 89 HD11 ILE 89 111.690 1.253 16.923 616 HD12 ILE 89 HD12 ILE 89 111.652 1.567 15.188 617 HD13 ILE 89 HD13 ILE 89 110.161 1.181 16.047 618 H LYS 90 HN LYS 90 108.169 6.312 17.100 619 HA LYS 90 HA LYS 90 110.106 6.468 19.352 620 HB2 LYS 90 HB2 LYS 90 109.220 8.686 19.918 621 HB3 LYS 90 HB1 LYS 90 109.951 8.720 18.328 622 HG2 LYS 90 HG2 LYS 90 107.346 8.044 17.691 623 HG3 LYS 90 HG1 LYS 90 107.093 9.061 19.103 624 HD2 LYS 90 HD2 LYS 90 107.049 10.469 17.134 625 HD3 LYS 90 HD1 LYS 90 108.539 10.812 18.012 626 HE2 LYS 90 HE2 LYS 90 108.825 8.616 16.063 627 HE3 LYS 90 HE1 LYS 90 108.422 10.163 15.317 628 HZ1 LYS 90 HZ1 LYS 90 110.353 11.101 15.984 629 HZ2 LYS 90 HZ2 LYS 90 110.887 9.491 15.904 630 HZ3 LYS 90 HZ3 LYS 90 110.465 10.175 17.400 631 H PHE 91 HN PHE 91 109.149 5.365 21.062 632 HA PHE 91 HA PHE 91 106.206 4.954 20.917 633 HB2 PHE 91 HB2 PHE 91 107.515 3.025 21.591 634 HB3 PHE 91 HB1 PHE 91 108.252 3.932 22.892 635 HD1 PHE 91 HD1 PHE 91 104.823 3.191 21.582 636 HD2 PHE 91 HD2 PHE 91 107.332 3.627 25.047 637 HE1 PHE 91 HE1 PHE 91 102.914 2.590 23.041 638 HE2 PHE 91 HE2 PHE 91 105.411 3.020 26.511 639 HZ PHE 91 HZ PHE 91 103.208 2.504 25.498 640 H ASN 92 HN ASN 92 105.196 6.804 21.391 641 HA ASN 92 HA ASN 92 104.318 8.482 22.744 642 HB2 ASN 92 HB2 ASN 92 104.854 6.650 24.589 643 HB3 ASN 92 HB1 ASN 92 106.156 7.756 25.022 644 HD21 ASN 92 HD21 ASN 92 105.460 8.992 26.768 645 HD22 ASN 92 HD22 ASN 92 103.925 9.703 26.907 646 H ASP 93 HN ASP 93 106.644 8.823 21.010 647 HA ASP 93 HA ASP 93 107.975 10.674 20.474 648 HB2 ASP 93 HB2 ASP 93 107.756 11.809 23.249 649 HB3 ASP 93 HB1 ASP 93 107.937 12.633 21.706 650 H GLU 94 HN GLU 94 108.797 8.150 22.231 651 HA GLU 94 HA GLU 94 111.411 9.294 23.169 652 HB2 GLU 94 HB2 GLU 94 111.738 7.243 24.382 653 HB3 GLU 94 HB1 GLU 94 110.110 7.820 24.729 654 HG2 GLU 94 HG2 GLU 94 109.477 6.271 22.667 655 HG3 GLU 94 HG1 GLU 94 110.980 5.469 23.083 656 H HIS 95 HN HIS 95 112.546 9.548 21.293 657 HA HIS 95 HA HIS 95 112.426 7.747 19.077 658 HB2 HIS 95 HB2 HIS 95 113.418 10.274 19.480 659 HB3 HIS 95 HB1 HIS 95 114.914 9.358 19.403 660 HD1 HIS 95 HD1 HIS 95 115.628 10.217 17.104 661 HD2 HIS 95 HD2 HIS 95 111.844 8.467 17.027 662 HE1 HIS 95 HE1 HIS 95 114.962 10.027 14.668 663 H ILE 96 HN ILE 96 112.876 5.647 19.578 664 HA ILE 96 HA ILE 96 114.849 4.690 21.335 665 HB ILE 96 HB ILE 96 112.904 3.528 20.008 666 HG12 ILE 96 HG12 ILE 96 114.580 2.447 21.682 667 HG13 ILE 96 HG11 ILE 96 113.670 1.404 20.609 668 HG21 ILE 96 HG21 ILE 96 115.193 3.027 18.086 669 HG22 ILE 96 HG22 ILE 96 113.738 3.961 17.768 670 HG23 ILE 96 HG23 ILE 96 113.625 2.228 18.052 671 HD11 ILE 96 HD11 ILE 96 116.309 2.346 19.599 672 HD12 ILE 96 HD12 ILE 96 115.512 0.789 19.396 673 HD13 ILE 96 HD13 ILE 96 116.327 1.169 20.911 674 HA PRO 97 HA PRO 97 118.695 6.011 19.507 675 HB2 PRO 97 HB2 PRO 97 119.726 3.238 19.796 676 HB3 PRO 97 HB1 PRO 97 120.370 4.753 20.452 677 HG2 PRO 97 HG2 PRO 97 118.911 2.823 21.916 678 HG3 PRO 97 HG1 PRO 97 119.240 4.481 22.440 679 HD2 PRO 97 HD2 PRO 97 116.690 3.350 21.676 680 HD3 PRO 97 HD1 PRO 97 117.014 5.001 22.218 681 H ASP 98 HN ASP 98 117.511 2.792 18.390 682 HA ASP 98 HA ASP 98 118.814 2.648 15.915 683 HB2 ASP 98 HB2 ASP 98 115.870 2.044 16.119 684 HB3 ASP 98 HB1 ASP 98 117.097 1.224 15.157 685 H SER 99 HN SER 99 115.542 4.015 16.259 686 HA SER 99 HA SER 99 115.523 5.224 13.741 687 HB2 SER 99 HB2 SER 99 114.079 5.757 16.309 688 HB3 SER 99 HB1 SER 99 113.867 6.882 14.974 689 HG SER 99 HG SER 99 113.691 4.136 14.462 690 HA PRO 100 HA PRO 100 115.277 6.843 12.408 691 HB2 PRO 100 HB2 PRO 100 116.698 8.576 10.774 692 HB3 PRO 100 HB1 PRO 100 115.301 9.057 11.748 693 HG2 PRO 100 HG2 PRO 100 118.134 9.765 12.141 694 HG3 PRO 100 HG1 PRO 100 116.698 10.481 12.890 695 HD2 PRO 100 HD2 PRO 100 118.550 8.551 14.050 696 HD3 PRO 100 HD1 PRO 100 117.168 9.341 14.831 697 H PHE 101 HN PHE 101 116.061 4.776 11.556 698 HA PHE 101 HA PHE 101 118.952 4.756 10.673 699 HB2 PHE 101 HB2 PHE 101 118.970 2.330 10.947 700 HB3 PHE 101 HB1 PHE 101 118.604 3.141 12.463 701 HD1 PHE 101 HD1 PHE 101 116.343 3.097 13.369 702 HD2 PHE 101 HD2 PHE 101 117.325 0.926 9.829 703 HE1 PHE 101 HE1 PHE 101 114.323 1.748 13.684 704 HE2 PHE 101 HE2 PHE 101 115.269 -0.439 10.109 705 HZ PHE 101 HZ PHE 101 113.762 -0.030 12.039 706 H VAL 102 HN VAL 102 119.423 3.369 8.809 707 HA VAL 102 HA VAL 102 117.415 3.867 6.708 708 HB VAL 102 HB VAL 102 119.735 4.549 6.315 709 HG11 VAL 102 HG11 VAL 102 121.520 2.880 6.149 710 HG12 VAL 102 HG12 VAL 102 120.382 1.595 6.552 711 HG13 VAL 102 HG13 VAL 102 120.791 2.819 7.753 712 HG21 VAL 102 HG21 VAL 102 118.310 3.731 4.412 713 HG22 VAL 102 HG22 VAL 102 119.044 2.140 4.605 714 HG23 VAL 102 HG23 VAL 102 120.039 3.517 4.140 715 H VAL 103 HN VAL 103 116.700 2.251 5.273 716 HA VAL 103 HA VAL 103 117.040 -0.590 6.166 717 HB VAL 103 HB VAL 103 114.526 0.870 5.321 718 HG11 VAL 103 HG11 VAL 103 114.315 -1.202 4.195 719 HG12 VAL 103 HG12 VAL 103 113.515 -1.499 5.736 720 HG13 VAL 103 HG13 VAL 103 115.159 -2.082 5.469 721 HG21 VAL 103 HG21 VAL 103 113.715 0.181 7.505 722 HG22 VAL 103 HG22 VAL 103 115.269 0.988 7.717 723 HG23 VAL 103 HG23 VAL 103 115.172 -0.772 7.787 724 HA PRO 104 HA PRO 104 118.272 0.053 1.753 725 HB2 PRO 104 HB2 PRO 104 120.104 -2.173 1.973 726 HB3 PRO 104 HB1 PRO 104 120.494 -0.451 1.855 727 HG2 PRO 104 HG2 PRO 104 120.768 -2.131 4.173 728 HG3 PRO 104 HG1 PRO 104 121.061 -0.388 4.073 729 HD2 PRO 104 HD2 PRO 104 118.802 -1.784 5.302 730 HD3 PRO 104 HD1 PRO 104 119.208 -0.058 5.386 731 H VAL 105 HN VAL 105 116.643 -0.737 0.497 732 HA VAL 105 HA VAL 105 115.892 -3.619 0.656 733 HB VAL 105 HB VAL 105 114.656 -1.197 -0.692 734 HG11 VAL 105 HG11 VAL 105 112.839 -2.661 -1.442 735 HG12 VAL 105 HG12 VAL 105 113.655 -4.059 -0.755 736 HG13 VAL 105 HG13 VAL 105 114.355 -3.225 -2.136 737 HG21 VAL 105 HG21 VAL 105 112.851 -1.576 0.862 738 HG22 VAL 105 HG22 VAL 105 114.365 -1.489 1.759 739 HG23 VAL 105 HG23 VAL 105 113.613 -3.053 1.448 740 H ALA 106 HN ALA 106 116.324 -5.007 -1.149 741 HA ALA 106 HA ALA 106 117.985 -3.811 -3.365 742 HB1 ALA 106 HB1 ALA 106 118.636 -6.582 -2.544 743 HB2 ALA 106 HB2 ALA 106 118.934 -5.361 -1.310 744 HB3 ALA 106 HB3 ALA 106 119.705 -5.221 -2.883 745 H SER 107 HN SER 107 117.415 -4.391 -5.385 746 HA SER 107 HA SER 107 115.293 -6.430 -5.802 747 HB2 SER 107 HB2 SER 107 116.546 -4.323 -7.599 748 HB3 SER 107 HB1 SER 107 115.418 -5.536 -8.195 749 HG SER 107 HG SER 107 114.078 -3.974 -7.630 750 H LEU 108 HN LEU 108 116.804 -8.166 -5.307 751 HA LEU 108 HA LEU 108 118.265 -9.890 -5.940 752 HB2 LEU 108 HB2 LEU 108 118.238 -8.720 -8.737 753 HB3 LEU 108 HB1 LEU 108 118.518 -10.390 -8.258 754 HG LEU 108 HG LEU 108 115.898 -8.905 -7.900 755 HD11 LEU 108 HD11 LEU 108 116.413 -9.378 -10.268 756 HD12 LEU 108 HD12 LEU 108 115.086 -10.388 -9.695 757 HD13 LEU 108 HD13 LEU 108 116.703 -11.071 -9.866 758 HD21 LEU 108 HD21 LEU 108 116.829 -11.717 -7.287 759 HD22 LEU 108 HD22 LEU 108 115.121 -11.332 -7.501 760 HD23 LEU 108 HD23 LEU 108 116.041 -10.569 -6.205 761 H SER 109 HN SER 109 118.922 -6.708 -5.844 762 HA SER 109 HA SER 109 121.721 -6.798 -6.767 763 HB2 SER 109 HB2 SER 109 121.780 -4.475 -6.308 764 HB3 SER 109 HB1 SER 109 120.210 -4.778 -7.038 765 HG SER 109 HG SER 109 119.292 -4.226 -5.233 766 H ASP 110 HN ASP 110 119.866 -7.244 -3.890 767 HA ASP 110 HA ASP 110 120.529 -7.643 -1.665 768 HB2 ASP 110 HB2 ASP 110 121.705 -9.507 -2.935 769 HB3 ASP 110 HB1 ASP 110 123.147 -8.490 -2.936 770 H ASP 111 HN ASP 111 121.501 -5.157 -3.338 771 HA ASP 111 HA ASP 111 122.677 -3.772 -1.116 772 HB2 ASP 111 HB2 ASP 111 124.901 -3.333 -2.242 773 HB3 ASP 111 HB1 ASP 111 124.695 -4.980 -1.646 774 H ALA 112 HN ALA 112 121.953 -3.960 -4.593 775 HA ALA 112 HA ALA 112 121.532 -2.190 -6.134 776 HB1 ALA 112 HB1 ALA 112 119.920 -0.499 -5.170 777 HB2 ALA 112 HB2 ALA 112 120.157 -1.265 -3.599 778 HB3 ALA 112 HB3 ALA 112 119.443 -2.180 -4.927 779 H ARG 113 HN ARG 113 124.080 -1.851 -5.508 780 HA ARG 113 HA ARG 113 125.028 0.278 -4.024 781 HB2 ARG 113 HB2 ARG 113 125.928 -1.188 -6.396 782 HB3 ARG 113 HB1 ARG 113 126.490 0.479 -6.436 783 HG2 ARG 113 HG2 ARG 113 128.146 -0.882 -5.299 784 HG3 ARG 113 HG1 ARG 113 127.389 0.192 -4.126 785 HD2 ARG 113 HD2 ARG 113 125.759 -2.074 -4.031 786 HD3 ARG 113 HD1 ARG 113 127.367 -2.758 -4.235 787 HE ARG 113 HE ARG 113 126.363 -1.795 -1.804 788 HH11 ARG 113 HH21 ARG 113 129.058 -1.110 -3.856 789 HH12 ARG 113 HH22 ARG 113 130.030 -0.477 -2.575 790 HH21 ARG 113 HH11 ARG 113 127.629 -0.985 -0.135 791 HH22 ARG 113 HH12 ARG 113 129.228 -0.412 -0.473 792 H ARG 114 HN ARG 114 125.272 2.500 -4.311 793 HA ARG 114 HA ARG 114 123.365 3.762 -6.242 794 HB2 ARG 114 HB2 ARG 114 123.301 4.143 -3.670 795 HB3 ARG 114 HB1 ARG 114 124.746 5.121 -3.922 796 HG2 ARG 114 HG2 ARG 114 123.507 6.519 -5.551 797 HG3 ARG 114 HG1 ARG 114 122.064 5.542 -5.284 798 HD2 ARG 114 HD2 ARG 114 121.849 6.283 -3.036 799 HD3 ARG 114 HD1 ARG 114 123.489 6.932 -3.010 800 HE ARG 114 HE ARG 114 122.229 8.379 -5.013 801 HH11 ARG 114 HH21 ARG 114 121.627 7.629 -1.702 802 HH12 ARG 114 HH22 ARG 114 120.796 9.114 -1.379 803 HH21 ARG 114 HH11 ARG 114 121.146 10.320 -4.612 804 HH22 ARG 114 HH12 ARG 114 120.523 10.638 -3.027 805 H LEU 115 HN LEU 115 126.499 2.935 -6.127 806 HA LEU 115 HA LEU 115 127.418 5.334 -7.686 807 HB2 LEU 115 HB2 LEU 115 129.163 3.619 -5.895 808 HB3 LEU 115 HB1 LEU 115 129.625 5.103 -6.724 809 HG LEU 115 HG LEU 115 127.437 4.966 -4.626 810 HD11 LEU 115 HD11 LEU 115 129.165 6.092 -3.166 811 HD12 LEU 115 HD12 LEU 115 130.371 5.677 -4.384 812 HD13 LEU 115 HD13 LEU 115 129.506 4.400 -3.528 813 HD21 LEU 115 HD21 LEU 115 127.127 6.899 -5.985 814 HD22 LEU 115 HD22 LEU 115 128.860 7.202 -6.091 815 HD23 LEU 115 HD23 LEU 115 128.007 7.481 -4.574 816 H THR 116 HN THR 116 127.286 1.879 -7.338 817 HA THR 116 HA THR 116 128.829 1.502 -9.874 818 HB THR 116 HB THR 116 128.062 -0.578 -7.806 819 HG1 THR 116 HG1 THR 116 129.672 0.222 -6.750 820 HG21 THR 116 HG21 THR 116 129.771 -1.930 -9.012 821 HG22 THR 116 HG22 THR 116 129.928 -0.628 -10.192 822 HG23 THR 116 HG23 THR 116 128.403 -1.500 -10.038 823 H VAL 117 HN VAL 117 126.343 -0.460 -8.310 824 HA VAL 117 HA VAL 117 124.940 -0.963 -10.772 825 HB VAL 117 HB VAL 117 124.106 -1.115 -7.861 826 HG11 VAL 117 HG11 VAL 117 122.610 -1.828 -10.390 827 HG12 VAL 117 HG12 VAL 117 122.055 -0.848 -9.032 828 HG13 VAL 117 HG13 VAL 117 122.232 -2.593 -8.846 829 HG21 VAL 117 HG21 VAL 117 125.855 -2.710 -8.608 830 HG22 VAL 117 HG22 VAL 117 124.785 -3.263 -9.897 831 HG23 VAL 117 HG23 VAL 117 124.351 -3.541 -8.210 832 H THR 118 HN THR 118 125.375 1.704 -8.858 833 HA THR 118 HA THR 118 124.207 3.686 -8.454 834 HB THR 118 HB THR 118 125.315 4.130 -10.527 835 HG1 THR 118 HG1 THR 118 122.933 5.153 -9.880 836 HG21 THR 118 HG21 THR 118 124.099 3.709 -12.708 837 HG22 THR 118 HG22 THR 118 122.967 2.706 -11.808 838 HG23 THR 118 HG23 THR 118 124.671 2.259 -11.889 839 H SER 119 HN SER 119 122.527 2.081 -7.458 840 HA SER 119 HA SER 119 120.263 1.964 -6.888 841 HB2 SER 119 HB2 SER 119 118.835 3.629 -7.630 842 HB3 SER 119 HB1 SER 119 120.369 4.355 -8.106 843 HG SER 119 HG SER 119 120.064 3.516 -10.176 844 H1 MET 1 HT1 MET 1 121.862 20.559 -16.798 845 H2 MET 1 HT2 MET 1 120.182 20.307 -16.812 846 H3 MET 1 HT3 MET 1 120.994 20.723 -18.245 847 HA MET 1 HA MET 1 120.642 18.446 -18.464 848 HB2 MET 1 HB2 MET 1 122.992 19.143 -18.886 849 HB3 MET 1 HB1 MET 1 123.383 18.785 -17.205 850 HG2 MET 1 HG2 MET 1 122.924 16.451 -17.500 851 HG3 MET 1 HG1 MET 1 122.190 16.730 -19.080 852 HE1 MET 1 HE1 MET 1 125.256 14.794 -20.206 853 HE2 MET 1 HE2 MET 1 123.503 14.912 -20.080 854 HE3 MET 1 HE3 MET 1 124.456 14.520 -18.651 855 H ALA 2 HN ALA 2 120.914 19.533 -15.247 856 HA ALA 2 HA ALA 2 119.716 17.079 -14.237 857 HB1 ALA 2 HB1 ALA 2 121.542 16.668 -12.549 858 HB2 ALA 2 HB2 ALA 2 122.550 17.805 -13.445 859 HB3 ALA 2 HB3 ALA 2 122.012 16.311 -14.211 860 H SER 3 HN SER 3 119.620 17.312 -11.680 861 HA SER 3 HA SER 3 119.705 20.067 -10.701 862 HB2 SER 3 HB2 SER 3 117.013 18.697 -10.949 863 HB3 SER 3 HB1 SER 3 117.322 20.307 -10.304 864 HG SER 3 HG SER 3 117.515 21.055 -12.272 865 H LYS 4 HN LYS 4 120.709 19.559 -8.825 866 HA LYS 4 HA LYS 4 121.055 17.430 -7.279 867 HB2 LYS 4 HB2 LYS 4 120.013 20.040 -6.167 868 HB3 LYS 4 HB1 LYS 4 120.877 18.816 -5.241 869 HG2 LYS 4 HG2 LYS 4 122.101 19.965 -7.751 870 HG3 LYS 4 HG1 LYS 4 122.217 20.841 -6.228 871 HD2 LYS 4 HD2 LYS 4 123.192 18.756 -5.188 872 HD3 LYS 4 HD1 LYS 4 123.238 18.043 -6.801 873 HE2 LYS 4 HE2 LYS 4 124.705 19.816 -7.593 874 HE3 LYS 4 HE1 LYS 4 124.584 20.650 -6.043 875 HZ1 LYS 4 HZ1 LYS 4 125.342 18.067 -5.455 876 HZ2 LYS 4 HZ2 LYS 4 126.313 19.459 -5.383 877 HZ3 LYS 4 HZ3 LYS 4 126.287 18.510 -6.792 878 HA PRO 5 HA PRO 5 116.628 16.238 -6.821 879 HB2 PRO 5 HB2 PRO 5 117.364 13.481 -6.501 880 HB3 PRO 5 HB1 PRO 5 116.665 14.238 -7.937 881 HG2 PRO 5 HG2 PRO 5 119.375 13.275 -7.599 882 HG3 PRO 5 HG1 PRO 5 118.662 14.021 -9.037 883 HD2 PRO 5 HD2 PRO 5 120.525 15.200 -7.125 884 HD3 PRO 5 HD1 PRO 5 119.934 15.892 -8.649 885 H GLU 6 HN GLU 6 118.629 13.873 -5.083 886 HA GLU 6 HA GLU 6 118.680 13.337 -2.798 887 HB2 GLU 6 HB2 GLU 6 118.728 16.361 -2.775 888 HB3 GLU 6 HB1 GLU 6 118.863 15.408 -1.296 889 HG2 GLU 6 HG2 GLU 6 121.092 15.990 -2.212 890 HG3 GLU 6 HG1 GLU 6 120.828 14.246 -2.201 891 H LYS 7 HN LYS 7 116.171 12.967 -3.781 892 HA LYS 7 HA LYS 7 114.522 13.502 -1.426 893 HB2 LYS 7 HB2 LYS 7 112.687 14.572 -2.799 894 HB3 LYS 7 HB1 LYS 7 114.107 15.589 -2.560 895 HG2 LYS 7 HG2 LYS 7 114.934 15.105 -4.761 896 HG3 LYS 7 HG1 LYS 7 113.733 13.841 -5.006 897 HD2 LYS 7 HD2 LYS 7 112.785 16.639 -4.414 898 HD3 LYS 7 HD1 LYS 7 113.366 16.265 -6.035 899 HE2 LYS 7 HE2 LYS 7 111.217 14.677 -4.598 900 HE3 LYS 7 HE1 LYS 7 110.894 15.947 -5.777 901 HZ1 LYS 7 HZ1 LYS 7 112.498 13.502 -6.296 902 HZ2 LYS 7 HZ2 LYS 7 112.115 14.710 -7.428 903 HZ3 LYS 7 HZ3 LYS 7 110.887 13.732 -6.776 904 H ARG 8 HN ARG 8 112.759 12.063 -1.317 905 HA ARG 8 HA ARG 8 112.287 10.258 -3.649 906 HB2 ARG 8 HB2 ARG 8 112.574 9.119 -0.863 907 HB3 ARG 8 HB1 ARG 8 112.664 8.285 -2.417 908 HG2 ARG 8 HG2 ARG 8 114.731 9.751 -2.868 909 HG3 ARG 8 HG1 ARG 8 114.712 10.100 -1.144 910 HD2 ARG 8 HD2 ARG 8 114.795 7.655 -0.688 911 HD3 ARG 8 HD1 ARG 8 114.910 7.360 -2.423 912 HE ARG 8 HE ARG 8 116.990 9.106 -1.946 913 HH11 ARG 8 HH21 ARG 8 115.880 6.150 -0.578 914 HH12 ARG 8 HH22 ARG 8 117.464 5.600 -0.148 915 HH21 ARG 8 HH11 ARG 8 119.068 8.409 -1.390 916 HH22 ARG 8 HH12 ARG 8 119.270 6.878 -0.606 917 H VAL 9 HN VAL 9 110.274 8.892 -3.194 918 HA VAL 9 HA VAL 9 108.060 10.511 -2.585 919 HB VAL 9 HB VAL 9 108.492 7.525 -2.532 920 HG11 VAL 9 HG11 VAL 9 106.753 7.776 -0.909 921 HG12 VAL 9 HG12 VAL 9 105.929 7.400 -2.422 922 HG13 VAL 9 HG13 VAL 9 105.979 9.062 -1.834 923 HG21 VAL 9 HG21 VAL 9 108.441 8.638 -4.714 924 HG22 VAL 9 HG22 VAL 9 106.897 9.391 -4.312 925 HG23 VAL 9 HG23 VAL 9 107.000 7.642 -4.513 926 H ALA 10 HN ALA 10 106.642 10.427 -0.638 927 HA ALA 10 HA ALA 10 108.201 9.932 1.889 928 HB1 ALA 10 HB1 ALA 10 107.063 11.863 2.857 929 HB2 ALA 10 HB2 ALA 10 106.149 12.101 1.367 930 HB3 ALA 10 HB3 ALA 10 107.895 12.348 1.379 931 H SER 11 HN SER 11 107.100 8.975 3.584 932 HA SER 11 HA SER 11 104.209 8.305 3.186 933 HB2 SER 11 HB2 SER 11 105.183 6.279 2.493 934 HB3 SER 11 HB1 SER 11 106.503 6.406 3.649 935 HG SER 11 HG SER 11 104.830 4.892 4.240 936 H SER 12 HN SER 12 103.044 8.168 5.126 937 HA SER 12 HA SER 12 104.515 8.381 7.692 938 HB2 SER 12 HB2 SER 12 102.444 10.437 6.873 939 HB3 SER 12 HB1 SER 12 103.367 10.406 8.373 940 HG SER 12 HG SER 12 104.217 11.827 6.731 941 H VAL 13 HN VAL 13 103.570 6.830 8.892 942 HA VAL 13 HA VAL 13 100.676 6.829 9.291 943 HB VAL 13 HB VAL 13 100.748 5.434 7.327 944 HG11 VAL 13 HG11 VAL 13 102.202 3.416 7.245 945 HG12 VAL 13 HG12 VAL 13 102.938 3.917 8.768 946 HG13 VAL 13 HG13 VAL 13 103.134 4.910 7.324 947 HG21 VAL 13 HG21 VAL 13 99.434 4.670 9.410 948 HG22 VAL 13 HG22 VAL 13 100.710 3.471 9.621 949 HG23 VAL 13 HG23 VAL 13 99.725 3.464 8.159 950 H PHE 14 HN PHE 14 100.115 5.133 11.010 951 HA PHE 14 HA PHE 14 102.192 3.849 12.500 952 HB2 PHE 14 HB2 PHE 14 102.423 5.285 14.369 953 HB3 PHE 14 HB1 PHE 14 102.805 6.228 12.961 954 HD1 PHE 14 HD2 PHE 14 100.661 7.444 11.862 955 HD2 PHE 14 HD1 PHE 14 101.028 6.255 15.972 956 HE1 PHE 14 HE2 PHE 14 98.942 9.102 12.497 957 HE2 PHE 14 HE1 PHE 14 99.312 7.918 16.608 958 HZ PHE 14 HZ PHE 14 98.262 9.344 14.870 959 H ILE 15 HN ILE 15 101.326 3.956 15.065 960 HA ILE 15 HA ILE 15 98.411 3.439 15.130 961 HB ILE 15 HB ILE 15 99.076 1.261 16.439 962 HG12 ILE 15 HG12 ILE 15 101.459 1.488 14.593 963 HG13 ILE 15 HG11 ILE 15 101.541 1.915 16.303 964 HG21 ILE 15 HG21 ILE 15 99.348 1.446 13.425 965 HG22 ILE 15 HG22 ILE 15 97.838 1.253 14.314 966 HG23 ILE 15 HG23 ILE 15 99.040 -0.037 14.328 967 HD11 ILE 15 HD11 ILE 15 100.756 -0.786 15.169 968 HD12 ILE 15 HD12 ILE 15 100.734 -0.368 16.882 969 HD13 ILE 15 HD13 ILE 15 102.262 -0.404 16.003 970 H THR 16 HN THR 16 97.772 3.032 17.523 971 HA THR 16 HA THR 16 99.686 4.316 19.435 972 HB THR 16 HB THR 16 96.803 5.131 18.966 973 HG1 THR 16 HG1 THR 16 98.647 7.081 19.057 974 HG21 THR 16 HG21 THR 16 98.749 5.771 21.184 975 HG22 THR 16 HG22 THR 16 97.090 5.190 21.320 976 HG23 THR 16 HG23 THR 16 97.405 6.842 20.788 977 H LEU 17 HN LEU 17 99.547 3.525 21.520 978 HA LEU 17 HA LEU 17 97.689 1.217 21.947 979 HB2 LEU 17 HB2 LEU 17 100.084 1.964 23.641 980 HB3 LEU 17 HB1 LEU 17 99.248 0.413 23.565 981 HG LEU 17 HG LEU 17 100.940 1.679 21.392 982 HD11 LEU 17 HD11 LEU 17 101.250 -1.009 22.742 983 HD12 LEU 17 HD12 LEU 17 102.016 0.450 23.370 984 HD13 LEU 17 HD13 LEU 17 102.433 -0.143 21.762 985 HD21 LEU 17 HD21 LEU 17 99.079 -0.707 21.367 986 HD22 LEU 17 HD22 LEU 17 100.434 -0.584 20.244 987 HD23 LEU 17 HD23 LEU 17 99.157 0.630 20.220 988 H ALA 18 HN ALA 18 96.063 1.433 23.413 989 HA ALA 18 HA ALA 18 96.258 3.529 25.528 990 HB1 ALA 18 HB1 ALA 18 93.976 4.293 25.022 991 HB2 ALA 18 HB2 ALA 18 93.904 3.185 23.652 992 HB3 ALA 18 HB3 ALA 18 95.039 4.535 23.636 993 HA PRO 19 HA PRO 19 94.701 -0.618 26.977 994 HB2 PRO 19 HB2 PRO 19 96.060 -0.036 29.497 995 HB3 PRO 19 HB1 PRO 19 96.390 -1.341 28.349 996 HG2 PRO 19 HG2 PRO 19 98.010 0.968 28.801 997 HG3 PRO 19 HG1 PRO 19 98.219 -0.235 27.520 998 HD2 PRO 19 HD2 PRO 19 97.230 2.506 27.291 999 HD3 PRO 19 HD1 PRO 19 97.633 1.371 25.987 1000 HA PRO 20 HA PRO 20 91.293 0.923 29.286 1001 HB2 PRO 20 HB2 PRO 20 91.486 -0.750 31.645 1002 HB3 PRO 20 HB1 PRO 20 90.420 -0.958 30.250 1003 HG2 PRO 20 HG2 PRO 20 92.793 -2.497 30.926 1004 HG3 PRO 20 HG1 PRO 20 91.669 -2.759 29.585 1005 HD2 PRO 20 HD2 PRO 20 94.351 -1.746 29.417 1006 HD3 PRO 20 HD1 PRO 20 93.173 -1.889 28.096 1007 H ARG 21 HN ARG 21 92.295 2.991 29.737 1008 HA ARG 21 HA ARG 21 93.036 4.708 31.148 1009 HB2 ARG 21 HB2 ARG 21 91.073 3.630 32.475 1010 HB3 ARG 21 HB1 ARG 21 92.333 2.917 33.474 1011 HG2 ARG 21 HG2 ARG 21 92.015 4.886 34.657 1012 HG3 ARG 21 HG1 ARG 21 93.239 5.443 33.522 1013 HD2 ARG 21 HD2 ARG 21 90.257 5.707 33.014 1014 HD3 ARG 21 HD1 ARG 21 91.231 6.969 33.763 1015 HE ARG 21 HE ARG 21 92.601 6.425 31.433 1016 HH11 ARG 21 HH21 ARG 21 89.341 7.156 32.280 1017 HH12 ARG 21 HH22 ARG 21 88.998 7.978 30.795 1018 HH21 ARG 21 HH11 ARG 21 92.173 7.495 29.487 1019 HH22 ARG 21 HH12 ARG 21 90.601 8.168 29.212 1020 H ARG 22 HN ARG 22 94.802 5.278 32.635 1021 HA ARG 22 HA ARG 22 97.061 3.441 32.360 1022 HB2 ARG 22 HB2 ARG 22 96.925 6.055 33.891 1023 HB3 ARG 22 HB1 ARG 22 98.379 5.231 33.325 1024 HG2 ARG 22 HG2 ARG 22 97.598 5.515 30.981 1025 HG3 ARG 22 HG1 ARG 22 96.200 6.410 31.577 1026 HD2 ARG 22 HD2 ARG 22 99.038 7.222 32.231 1027 HD3 ARG 22 HD1 ARG 22 98.186 7.825 30.810 1028 HE ARG 22 HE ARG 22 96.432 8.337 32.889 1029 HH11 ARG 22 HH21 ARG 22 99.751 8.974 32.205 1030 HH12 ARG 22 HH22 ARG 22 99.788 10.459 33.098 1031 HH21 ARG 22 HH11 ARG 22 96.462 10.271 34.060 1032 HH22 ARG 22 HH12 ARG 22 97.926 11.192 34.148 1033 H ASP 23 HN ASP 23 96.867 1.668 33.713 1034 HA ASP 23 HA ASP 23 95.654 1.524 36.227 1035 HB2 ASP 23 HB2 ASP 23 96.670 -0.382 34.867 1036 HB3 ASP 23 HB1 ASP 23 98.226 0.079 35.558 1037 H VAL 24 HN VAL 24 96.046 3.336 37.541 1038 HA VAL 24 HA VAL 24 97.244 4.734 39.003 1039 HB VAL 24 HB VAL 24 99.056 2.327 39.304 1040 HG11 VAL 24 HG11 VAL 24 99.748 4.392 40.464 1041 HG12 VAL 24 HG12 VAL 24 99.236 3.163 41.621 1042 HG13 VAL 24 HG13 VAL 24 98.159 4.501 41.222 1043 HG21 VAL 24 HG21 VAL 24 96.309 2.868 40.474 1044 HG22 VAL 24 HG22 VAL 24 97.414 1.641 41.095 1045 HG23 VAL 24 HG23 VAL 24 96.781 1.508 39.455
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