NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628977 | 6f7e | 27078 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 H1 HIS 1 3.604 0.372 0.916 2 H2 HIS 1 H2 HIS 1 1.995 0.526 0.914 3 H3 HIS 1 H3 HIS 1 2.757 -0.014 -0.406 4 HA HIS 1 HA HIS 1 3.397 -1.956 0.730 5 HB2 HIS 1 HB2 HIS 1 1.935 -0.834 2.956 6 HB3 HIS 1 HB3 HIS 1 2.420 -2.394 2.925 7 HD1 HIS 1 HD1 HIS 1 5.059 -2.878 3.029 8 HD2 HIS 1 HD2 HIS 1 3.821 0.934 3.861 9 HE1 HIS 1 HE1 HIS 1 6.948 -1.660 4.079 10 HE2 HIS 1 HE2 HIS 1 6.223 0.648 4.613 11 H THR 2 H THR 2 2.332 -3.489 -0.376 12 HA THR 2 HA THR 2 0.712 -4.410 -1.487 13 HB THR 2 HB THR 2 -1.315 -5.027 -0.434 14 HG1 THR 2 HG1 THR 2 -1.174 -2.556 0.589 15 HG21 THR 2 HG21 THR 2 -0.618 -5.588 1.788 16 HG22 THR 2 HG22 THR 2 0.595 -4.524 1.697 17 HG23 THR 2 HG23 THR 2 0.617 -5.855 0.780 18 H GLY 3 H GLY 3 -1.907 -4.002 -2.180 19 HA2 GLY 3 HA2 GLY 3 -3.221 -2.160 -2.978 20 HA3 GLY 3 HA3 GLY 3 -1.850 -1.321 -3.269 21 H SER 4 H SER 4 -3.725 -4.062 -4.275 22 HA SER 4 HA SER 4 -2.502 -3.906 -6.894 23 HB2 SER 4 HB2 SER 4 -2.716 -6.355 -7.004 24 HB3 SER 4 HB3 SER 4 -1.701 -5.901 -5.809 25 HG SER 4 HG SER 4 -4.065 -5.912 -4.797 26 H CYS 5 H CYS 5 -3.897 -5.122 -8.596 27 HA CYS 5 HA CYS 5 -6.402 -3.973 -8.588 28 HB2 CYS 5 HB2 CYS 5 -6.804 -5.133 -10.563 29 HB3 CYS 5 HB3 CYS 5 -5.303 -4.490 -10.572 30 H MET 6 H MET 6 -8.514 -5.119 -8.898 31 HA MET 6 HA MET 6 -8.614 -7.730 -7.659 32 HB2 MET 6 HB2 MET 6 -10.402 -5.566 -7.034 33 HB3 MET 6 HB3 MET 6 -10.700 -7.116 -6.613 34 HG2 MET 6 HG2 MET 6 -8.774 -7.130 -5.314 35 HG3 MET 6 HG3 MET 6 -8.484 -5.578 -5.731 36 HE1 MET 6 HE1 MET 6 -11.685 -7.047 -2.907 37 HE2 MET 6 HE2 MET 6 -10.405 -7.902 -3.401 38 HE3 MET 6 HE3 MET 6 -11.596 -7.556 -4.439 39 H ALA 7 H ALA 7 -10.350 -9.091 -8.567 40 HA ALA 7 HA ALA 7 -11.606 -7.959 -10.864 41 HB1 ALA 7 HB1 ALA 7 -9.634 -8.997 -11.709 42 HB2 ALA 7 HB2 ALA 7 -10.938 -9.767 -12.274 43 HB3 ALA 7 HB3 ALA 7 -10.086 -10.406 -11.058 44 H VAL 8 H VAL 8 -13.491 -9.043 -11.680 45 HA VAL 8 HA VAL 8 -14.475 -11.106 -9.925 46 HB VAL 8 HB VAL 8 -16.149 -9.171 -11.387 47 HG11 VAL 8 HG11 VAL 8 -18.003 -10.103 -10.215 48 HG12 VAL 8 HG12 VAL 8 -17.027 -11.178 -9.503 49 HG13 VAL 8 HG13 VAL 8 -17.283 -11.250 -11.098 50 HG21 VAL 8 HG21 VAL 8 -16.653 -8.198 -9.245 51 HG22 VAL 8 HG22 VAL 8 -15.060 -8.114 -9.509 52 HG23 VAL 8 HG23 VAL 8 -15.657 -9.246 -8.521 53 H TYR 9 H TYR 9 -14.622 -13.072 -10.899 54 HA TYR 9 HA TYR 9 -14.562 -13.092 -13.776 55 HB2 TYR 9 HB2 TYR 9 -12.664 -14.119 -12.799 56 HB3 TYR 9 HB3 TYR 9 -13.620 -15.073 -11.881 57 HD1 TYR 9 HD1 TYR 9 -14.891 -16.939 -12.956 58 HD2 TYR 9 HD2 TYR 9 -11.983 -14.800 -14.973 59 HE1 TYR 9 HE1 TYR 9 -14.776 -18.661 -14.617 60 HE2 TYR 9 HE2 TYR 9 -11.866 -16.525 -16.634 61 HH TYR 9 HH TYR 9 -13.196 -19.584 -16.234 62 H SER 10 H SER 10 -16.210 -13.965 -14.956 63 HA SER 10 HA SER 10 -17.992 -15.715 -13.567 64 HB2 SER 10 HB2 SER 10 -19.893 -14.510 -14.648 65 HB3 SER 10 HB3 SER 10 -19.136 -13.640 -13.491 66 HG SER 10 HG SER 10 -19.140 -13.295 -16.177 67 H VAL 11 H VAL 11 -19.263 -17.178 -14.831 68 HA VAL 11 HA VAL 11 -18.202 -17.606 -17.466 69 HB VAL 11 HB VAL 11 -19.861 -19.396 -15.876 70 HG11 VAL 11 HG11 VAL 11 -19.430 -21.055 -17.534 71 HG12 VAL 11 HG12 VAL 11 -18.617 -19.973 -18.418 72 HG13 VAL 11 HG13 VAL 11 -20.210 -19.803 -18.197 73 HG21 VAL 11 HG21 VAL 11 -17.872 -20.708 -15.597 74 HG22 VAL 11 HG22 VAL 11 -17.638 -19.228 -14.989 75 HG23 VAL 11 HG23 VAL 11 -17.024 -19.614 -16.434 76 H GLU 12 H GLU 12 -19.401 -17.085 -19.291 77 HA GLU 12 HA GLU 12 -21.892 -15.831 -18.856 78 HB2 GLU 12 HB2 GLU 12 -20.406 -14.985 -20.522 79 HB3 GLU 12 HB3 GLU 12 -20.496 -16.398 -21.336 80 HG2 GLU 12 HG2 GLU 12 -21.829 -15.007 -22.528 81 HG3 GLU 12 HG3 GLU 12 -22.885 -15.883 -21.641 82 H ASN 13 H ASN 13 -20.833 -18.569 -20.735 83 HA ASN 13 HA ASN 13 -23.247 -19.971 -20.280 84 HB2 ASN 13 HB2 ASN 13 -23.922 -18.573 -22.117 85 HB3 ASN 13 HB3 ASN 13 -22.686 -19.163 -23.007 86 HD21 ASN 13 HD21 ASN 13 -24.754 -21.514 -24.444 87 HD22 ASN 13 HD22 ASN 13 -23.678 -20.179 -24.687 88 H SER 14 H SER 14 -23.081 -22.247 -20.939 89 HA SER 14 HA SER 14 -20.540 -22.910 -22.122 90 HB2 SER 14 HB2 SER 14 -20.401 -24.888 -20.716 91 HB3 SER 14 HB3 SER 14 -20.381 -23.528 -19.811 92 HG SER 14 HG SER 14 -22.585 -23.795 -19.431 93 H TRP 15 H TRP 15 -20.496 -24.883 -23.405 94 HA TRP 15 HA TRP 15 -23.052 -26.000 -24.064 95 HB2 TRP 15 HB2 TRP 15 -22.795 -25.588 -26.403 96 HB3 TRP 15 HB3 TRP 15 -22.984 -24.198 -25.566 97 HD1 TRP 15 HD1 TRP 15 -20.325 -26.052 -27.410 98 HE1 TRP 15 HE1 TRP 15 -18.407 -24.564 -28.077 99 HE3 TRP 15 HE3 TRP 15 -21.837 -21.976 -24.974 100 HZ2 TRP 15 HZ2 TRP 15 -17.722 -21.894 -27.506 101 HZ3 TRP 15 HZ3 TRP 15 -20.509 -19.987 -25.096 102 HH2 TRP 15 HH2 TRP 15 -18.479 -19.952 -26.364 103 H SER 16 H SER 16 -22.659 -27.874 -25.746 104 HA SER 16 HA SER 16 -20.579 -29.424 -24.822 105 HB2 SER 16 HB2 SER 16 -21.087 -30.740 -26.958 106 HB3 SER 16 HB3 SER 16 -22.261 -30.651 -25.827 107 HG SER 16 HG SER 16 -22.216 -29.658 -28.290 108 H GLY 17 H GLY 17 -18.444 -29.184 -25.072 109 HA2 GLY 17 HA2 GLY 17 -16.598 -29.254 -26.438 110 HA3 GLY 17 HA3 GLY 17 -17.479 -28.754 -27.719 111 H GLY 18 H GLY 18 -17.856 -26.871 -24.925 112 HA2 GLY 18 HA2 GLY 18 -15.722 -25.290 -24.832 113 HA3 GLY 18 HA3 GLY 18 -16.497 -24.706 -26.145 114 H PHE 19 H PHE 19 -16.166 -22.807 -24.439 115 HA PHE 19 HA PHE 19 -18.755 -22.284 -23.508 116 HB2 PHE 19 HB2 PHE 19 -18.265 -22.020 -21.190 117 HB3 PHE 19 HB3 PHE 19 -17.928 -23.553 -21.640 118 HD1 PHE 19 HD1 PHE 19 -15.603 -24.336 -21.746 119 HD2 PHE 19 HD2 PHE 19 -16.550 -20.527 -20.448 120 HE1 PHE 19 HE1 PHE 19 -13.437 -24.137 -20.757 121 HE2 PHE 19 HE2 PHE 19 -14.387 -20.325 -19.457 122 HZ PHE 19 HZ PHE 19 -12.821 -22.122 -19.627 123 H GLN 20 H GLN 20 -18.913 -20.094 -22.348 124 HA GLN 20 HA GLN 20 -16.862 -18.344 -23.357 125 HB2 GLN 20 HB2 GLN 20 -19.617 -18.191 -23.729 126 HB3 GLN 20 HB3 GLN 20 -19.058 -16.808 -23.064 127 HG2 GLN 20 HG2 GLN 20 -17.800 -16.313 -24.873 128 HG3 GLN 20 HG3 GLN 20 -17.842 -17.849 -25.426 129 HE21 GLN 20 HE21 GLN 20 -20.203 -16.946 -27.772 130 HE22 GLN 20 HE22 GLN 20 -18.666 -17.676 -27.449 131 H GLY 21 H GLY 21 -16.121 -16.617 -22.036 132 HA2 GLY 21 HA2 GLY 21 -17.218 -16.524 -19.378 133 HA3 GLY 21 HA3 GLY 21 -15.629 -16.867 -19.544 134 H SER 22 H SER 22 -16.589 -14.647 -18.083 135 HA SER 22 HA SER 22 -15.436 -12.539 -19.623 136 HB2 SER 22 HB2 SER 22 -17.277 -11.027 -18.972 137 HB3 SER 22 HB3 SER 22 -17.780 -12.215 -19.974 138 HG SER 22 HG SER 22 -18.807 -11.673 -17.757 139 H VAL 23 H VAL 23 -14.559 -10.753 -18.411 140 HA VAL 23 HA VAL 23 -14.504 -11.226 -15.605 141 HB VAL 23 HB VAL 23 -12.004 -10.438 -16.886 142 HG11 VAL 23 HG11 VAL 23 -10.993 -11.316 -14.904 143 HG12 VAL 23 HG12 VAL 23 -12.447 -11.759 -14.351 144 HG13 VAL 23 HG13 VAL 23 -12.086 -10.191 -14.513 145 HG21 VAL 23 HG21 VAL 23 -11.266 -12.689 -16.994 146 HG22 VAL 23 HG22 VAL 23 -12.556 -12.480 -17.946 147 HG23 VAL 23 HG23 VAL 23 -12.721 -13.201 -16.508 148 H GLU 24 H GLU 24 -14.771 -9.405 -14.340 149 HA GLU 24 HA GLU 24 -14.329 -6.855 -15.624 150 HB2 GLU 24 HB2 GLU 24 -16.446 -7.248 -14.457 151 HB3 GLU 24 HB3 GLU 24 -15.597 -7.241 -13.062 152 HG2 GLU 24 HG2 GLU 24 -14.841 -4.997 -13.750 153 HG3 GLU 24 HG3 GLU 24 -16.073 -5.045 -14.820 154 H VAL 25 H VAL 25 -12.610 -5.511 -14.988 155 HA VAL 25 HA VAL 25 -11.191 -6.387 -12.651 156 HB VAL 25 HB VAL 25 -9.842 -5.336 -15.008 157 HG11 VAL 25 HG11 VAL 25 -7.806 -5.956 -13.893 158 HG12 VAL 25 HG12 VAL 25 -8.653 -6.458 -12.610 159 HG13 VAL 25 HG13 VAL 25 -8.618 -4.887 -12.991 160 HG21 VAL 25 HG21 VAL 25 -9.041 -7.559 -15.387 161 HG22 VAL 25 HG22 VAL 25 -10.657 -7.536 -15.460 162 HG23 VAL 25 HG23 VAL 25 -9.914 -8.094 -14.136 163 H MET 26 H MET 26 -11.110 -4.861 -11.092 164 HA MET 26 HA MET 26 -11.713 -2.166 -11.874 165 HB2 MET 26 HB2 MET 26 -12.355 -1.787 -9.642 166 HB3 MET 26 HB3 MET 26 -13.096 -3.137 -10.187 167 HG2 MET 26 HG2 MET 26 -11.313 -4.364 -9.127 168 HG3 MET 26 HG3 MET 26 -10.912 -2.962 -8.391 169 HE1 MET 26 HE1 MET 26 -14.528 -5.528 -7.576 170 HE2 MET 26 HE2 MET 26 -13.172 -5.999 -8.321 171 HE3 MET 26 HE3 MET 26 -14.188 -4.981 -9.060 172 H ASN 27 H ASN 27 -10.505 -0.325 -11.226 173 HA ASN 27 HA ASN 27 -7.760 -0.917 -10.859 174 HB2 ASN 27 HB2 ASN 27 -8.737 0.929 -12.272 175 HB3 ASN 27 HB3 ASN 27 -8.727 1.780 -10.878 176 HD21 ASN 27 HD21 ASN 27 -5.185 2.021 -10.646 177 HD22 ASN 27 HD22 ASN 27 -6.610 1.885 -9.672 178 H HIS 28 H HIS 28 -8.521 -1.981 -8.744 179 HA HIS 28 HA HIS 28 -8.660 -0.197 -6.553 180 HB2 HIS 28 HB2 HIS 28 -9.756 -2.298 -6.374 181 HB3 HIS 28 HB3 HIS 28 -8.344 -3.083 -6.613 182 HD1 HIS 28 HD1 HIS 28 -9.783 -0.721 -4.078 183 HD2 HIS 28 HD2 HIS 28 -7.199 -3.882 -4.303 184 HE1 HIS 28 HE1 HIS 28 -9.032 -1.276 -1.779 185 HE2 HIS 28 HE2 HIS 28 -7.465 -3.198 -1.878 186 H GLY 29 H GLY 29 -6.220 -1.393 -8.456 187 HA2 GLY 29 HA2 GLY 29 -4.117 -1.463 -6.642 188 HA3 GLY 29 HA3 GLY 29 -3.972 -1.188 -8.245 189 H THR 30 H THR 30 -2.425 0.120 -6.216 190 HA THR 30 HA THR 30 -3.516 2.632 -5.724 191 HB THR 30 HB THR 30 -1.119 3.186 -5.090 192 HG1 THR 30 HG1 THR 30 -0.798 0.477 -5.537 193 HG21 THR 30 HG21 THR 30 -1.214 1.855 -3.123 194 HG22 THR 30 HG22 THR 30 -2.335 0.904 -3.796 195 HG23 THR 30 HG23 THR 30 -2.692 2.437 -3.426 196 H GLU 31 H GLU 31 -1.900 1.255 -8.324 197 HA GLU 31 HA GLU 31 -1.660 3.817 -9.620 198 HB2 GLU 31 HB2 GLU 31 0.171 1.609 -10.082 199 HB3 GLU 31 HB3 GLU 31 0.361 3.129 -10.649 200 HG2 GLU 31 HG2 GLU 31 0.697 3.880 -8.411 201 HG3 GLU 31 HG3 GLU 31 0.610 2.329 -7.906 202 HA PRO 32 HA PRO 32 -3.732 1.616 -12.855 203 HB2 PRO 32 HB2 PRO 32 -3.695 3.391 -14.820 204 HB3 PRO 32 HB3 PRO 32 -4.713 3.635 -13.566 205 HG2 PRO 32 HG2 PRO 32 -2.158 4.821 -14.008 206 HG3 PRO 32 HG3 PRO 32 -3.524 5.546 -13.482 207 HD2 PRO 32 HD2 PRO 32 -1.616 4.808 -11.821 208 HD3 PRO 32 HD3 PRO 32 -3.176 4.905 -11.348 209 H LEU 33 H LEU 33 -3.069 0.094 -14.249 210 HA LEU 33 HA LEU 33 -0.383 0.444 -15.207 211 HB2 LEU 33 HB2 LEU 33 -1.419 -1.926 -13.901 212 HB3 LEU 33 HB3 LEU 33 0.008 -1.935 -14.693 213 HG LEU 33 HG LEU 33 -0.489 -0.262 -12.406 214 HD11 LEU 33 HD11 LEU 33 0.782 -1.874 -11.134 215 HD12 LEU 33 HD12 LEU 33 0.880 -2.825 -12.438 216 HD13 LEU 33 HD13 LEU 33 -0.551 -2.569 -11.730 217 HD21 LEU 33 HD21 LEU 33 1.883 0.038 -12.350 218 HD22 LEU 33 HD22 LEU 33 1.289 0.560 -13.761 219 HD23 LEU 33 HD23 LEU 33 2.035 -0.872 -13.678 220 H ASN 34 H ASN 34 -0.303 0.508 -17.312 221 HA ASN 34 HA ASN 34 -2.178 -0.748 -18.947 222 HB2 ASN 34 HB2 ASN 34 -0.983 1.121 -19.750 223 HB3 ASN 34 HB3 ASN 34 0.422 0.295 -19.645 224 HD21 ASN 34 HD21 ASN 34 0.240 -0.384 -23.019 225 HD22 ASN 34 HD22 ASN 34 1.108 0.399 -21.741 226 H GLY 35 H GLY 35 -2.203 -2.775 -19.925 227 HA2 GLY 35 HA2 GLY 35 -1.175 -4.660 -20.712 228 HA3 GLY 35 HA3 GLY 35 0.226 -4.249 -19.980 229 H TRP 36 H TRP 36 -2.258 -4.065 -17.780 230 HA TRP 36 HA TRP 36 -1.361 -6.242 -16.334 231 HB2 TRP 36 HB2 TRP 36 -3.168 -5.910 -14.885 232 HB3 TRP 36 HB3 TRP 36 -2.502 -4.473 -15.283 233 HD1 TRP 36 HD1 TRP 36 -4.716 -5.439 -17.957 234 HE1 TRP 36 HE1 TRP 36 -6.972 -4.338 -17.896 235 HE3 TRP 36 HE3 TRP 36 -4.348 -3.474 -13.378 236 HZ2 TRP 36 HZ2 TRP 36 -8.366 -2.819 -15.981 237 HZ3 TRP 36 HZ3 TRP 36 -6.199 -2.238 -12.493 238 HH2 TRP 36 HH2 TRP 36 -8.198 -1.935 -13.782 239 H ALA 37 H ALA 37 -2.762 -8.180 -15.623 240 HA ALA 37 HA ALA 37 -4.111 -9.201 -17.909 241 HB1 ALA 37 HB1 ALA 37 -1.785 -9.821 -18.245 242 HB2 ALA 37 HB2 ALA 37 -2.672 -11.158 -18.046 243 HB3 ALA 37 HB3 ALA 37 -1.783 -10.588 -16.822 244 H VAL 38 H VAL 38 -5.219 -11.255 -17.683 245 HA VAL 38 HA VAL 38 -5.790 -11.913 -14.925 246 HB VAL 38 HB VAL 38 -7.701 -11.943 -17.091 247 HG11 VAL 38 HG11 VAL 38 -9.320 -12.674 -15.504 248 HG12 VAL 38 HG12 VAL 38 -8.170 -12.776 -14.372 249 HG13 VAL 38 HG13 VAL 38 -8.140 -13.770 -15.647 250 HG21 VAL 38 HG21 VAL 38 -8.858 -10.255 -15.821 251 HG22 VAL 38 HG22 VAL 38 -7.372 -9.740 -16.194 252 HG23 VAL 38 HG23 VAL 38 -7.688 -10.289 -14.706 253 H GLN 39 H GLN 39 -4.984 -13.988 -14.504 254 HA GLN 39 HA GLN 39 -4.880 -15.728 -16.765 255 HB2 GLN 39 HB2 GLN 39 -2.702 -16.540 -15.963 256 HB3 GLN 39 HB3 GLN 39 -2.667 -14.981 -16.448 257 HG2 GLN 39 HG2 GLN 39 -2.795 -14.298 -14.169 258 HG3 GLN 39 HG3 GLN 39 -2.747 -15.867 -13.717 259 HE21 GLN 39 HE21 GLN 39 0.677 -15.871 -13.420 260 HE22 GLN 39 HE22 GLN 39 -0.859 -16.352 -12.781 261 H TRP 40 H TRP 40 -4.863 -18.010 -16.492 262 HA TRP 40 HA TRP 40 -5.350 -19.008 -13.912 263 HB2 TRP 40 HB2 TRP 40 -7.573 -19.779 -14.278 264 HB3 TRP 40 HB3 TRP 40 -7.536 -18.161 -14.495 265 HD1 TRP 40 HD1 TRP 40 -8.165 -21.269 -16.383 266 HE1 TRP 40 HE1 TRP 40 -9.080 -20.848 -18.679 267 HE3 TRP 40 HE3 TRP 40 -7.573 -16.310 -16.409 268 HZ2 TRP 40 HZ2 TRP 40 -9.500 -18.545 -20.238 269 HZ3 TRP 40 HZ3 TRP 40 -8.311 -15.066 -18.319 270 HH2 TRP 40 HH2 TRP 40 -9.264 -16.184 -20.211 271 H GLN 41 H GLN 41 -5.728 -21.389 -13.831 272 HA GLN 41 HA GLN 41 -4.304 -22.698 -15.927 273 HB2 GLN 41 HB2 GLN 41 -3.958 -23.318 -13.633 274 HB3 GLN 41 HB3 GLN 41 -5.500 -23.853 -13.568 275 HG2 GLN 41 HG2 GLN 41 -4.989 -25.551 -15.126 276 HG3 GLN 41 HG3 GLN 41 -3.455 -25.003 -15.236 277 HE21 GLN 41 HE21 GLN 41 -2.494 -27.409 -12.939 278 HE22 GLN 41 HE22 GLN 41 -2.380 -26.851 -14.575 279 HA PRO 42 HA PRO 42 -8.156 -23.613 -17.841 280 HB2 PRO 42 HB2 PRO 42 -7.370 -25.152 -19.874 281 HB3 PRO 42 HB3 PRO 42 -7.070 -23.548 -19.939 282 HG2 PRO 42 HG2 PRO 42 -5.296 -25.625 -19.134 283 HG3 PRO 42 HG3 PRO 42 -4.990 -24.382 -20.148 284 HD2 PRO 42 HD2 PRO 42 -4.246 -24.260 -17.660 285 HD3 PRO 42 HD3 PRO 42 -4.719 -22.908 -18.445 286 H GLY 43 H GLY 43 -9.726 -25.235 -18.045 287 HA2 GLY 43 HA2 GLY 43 -9.424 -27.318 -16.226 288 HA3 GLY 43 HA3 GLY 43 -10.635 -27.173 -17.312 289 H GLY 44 H GLY 44 -9.697 -29.687 -16.689 290 HA2 GLY 44 HA2 GLY 44 -7.667 -30.522 -18.381 291 HA3 GLY 44 HA3 GLY 44 -8.786 -31.494 -17.693 292 H GLY 45 H GLY 45 -7.566 -30.574 -20.559 293 HA2 GLY 45 HA2 GLY 45 -8.345 -31.221 -22.603 294 HA3 GLY 45 HA3 GLY 45 -9.762 -31.698 -21.946 295 H THR 46 H THR 46 -8.887 -28.516 -21.192 296 HA THR 46 HA THR 46 -10.516 -27.548 -23.360 297 HB THR 46 HB THR 46 -11.433 -27.361 -20.931 298 HG1 THR 46 HG1 THR 46 -11.944 -26.110 -23.170 299 HG21 THR 46 HG21 THR 46 -11.021 -25.206 -20.000 300 HG22 THR 46 HG22 THR 46 -9.988 -24.865 -21.196 301 HG23 THR 46 HG23 THR 46 -9.619 -26.004 -20.109 302 H THR 47 H THR 47 -10.078 -25.427 -24.238 303 HA THR 47 HA THR 47 -7.633 -24.256 -23.421 304 HB THR 47 HB THR 47 -6.889 -25.853 -25.097 305 HG1 THR 47 HG1 THR 47 -5.453 -24.545 -25.894 306 HG21 THR 47 HG21 THR 47 -7.519 -25.524 -27.395 307 HG22 THR 47 HG22 THR 47 -8.489 -24.301 -26.972 308 HG23 THR 47 HG23 THR 47 -8.855 -25.813 -26.530 309 H LEU 48 H LEU 48 -7.218 -22.076 -24.470 310 HA LEU 48 HA LEU 48 -9.680 -20.756 -24.674 311 HB2 LEU 48 HB2 LEU 48 -8.243 -18.780 -25.143 312 HB3 LEU 48 HB3 LEU 48 -8.125 -19.466 -23.666 313 HG LEU 48 HG LEU 48 -6.082 -20.481 -24.345 314 HD11 LEU 48 HD11 LEU 48 -4.954 -19.766 -26.304 315 HD12 LEU 48 HD12 LEU 48 -6.262 -18.932 -26.761 316 HD13 LEU 48 HD13 LEU 48 -6.318 -20.546 -26.687 317 HD21 LEU 48 HD21 LEU 48 -4.815 -18.398 -24.219 318 HD22 LEU 48 HD22 LEU 48 -6.047 -18.353 -23.172 319 HD23 LEU 48 HD23 LEU 48 -6.155 -17.569 -24.583 320 H GLY 49 H GLY 49 -10.268 -19.165 -26.441 321 HA2 GLY 49 HA2 GLY 49 -9.375 -20.161 -29.012 322 HA3 GLY 49 HA3 GLY 49 -10.947 -19.820 -28.729 323 H GLY 50 H GLY 50 -11.639 -17.619 -28.367 324 HA2 GLY 50 HA2 GLY 50 -9.718 -15.689 -29.349 325 HA3 GLY 50 HA3 GLY 50 -11.266 -15.693 -29.869 326 H VAL 51 H VAL 51 -10.476 -13.370 -28.961 327 HA VAL 51 HA VAL 51 -11.823 -13.102 -26.420 328 HB VAL 51 HB VAL 51 -9.374 -13.131 -26.112 329 HG11 VAL 51 HG11 VAL 51 -8.155 -11.161 -26.709 330 HG12 VAL 51 HG12 VAL 51 -9.462 -10.580 -27.462 331 HG13 VAL 51 HG13 VAL 51 -8.722 -11.900 -28.031 332 HG21 VAL 51 HG21 VAL 51 -9.346 -11.337 -24.530 333 HG22 VAL 51 HG22 VAL 51 -10.713 -12.191 -24.395 334 HG23 VAL 51 HG23 VAL 51 -10.723 -10.763 -25.155 335 H TRP 52 H TRP 52 -12.690 -10.882 -26.095 336 HA TRP 52 HA TRP 52 -12.295 -9.140 -28.351 337 HB2 TRP 52 HB2 TRP 52 -14.592 -8.442 -28.290 338 HB3 TRP 52 HB3 TRP 52 -14.397 -9.977 -28.814 339 HD1 TRP 52 HD1 TRP 52 -14.981 -11.919 -26.889 340 HE1 TRP 52 HE1 TRP 52 -16.818 -12.031 -25.182 341 HE3 TRP 52 HE3 TRP 52 -16.055 -7.044 -26.781 342 HZ2 TRP 52 HZ2 TRP 52 -18.462 -10.123 -23.936 343 HZ3 TRP 52 HZ3 TRP 52 -17.735 -6.261 -25.265 344 HH2 TRP 52 HH2 TRP 52 -18.919 -7.791 -23.854 345 H ASN 53 H ASN 53 -12.446 -6.861 -27.826 346 HA ASN 53 HA ASN 53 -11.841 -5.201 -26.474 347 HB2 ASN 53 HB2 ASN 53 -13.630 -6.523 -24.647 348 HB3 ASN 53 HB3 ASN 53 -12.955 -5.084 -24.269 349 HD21 ASN 53 HD21 ASN 53 -16.195 -4.134 -25.510 350 HD22 ASN 53 HD22 ASN 53 -15.473 -4.800 -24.083 351 H GLY 54 H GLY 54 -9.894 -7.035 -26.730 352 HA2 GLY 54 HA2 GLY 54 -8.091 -6.408 -24.840 353 HA3 GLY 54 HA3 GLY 54 -8.800 -7.752 -24.240 354 H SER 55 H SER 55 -6.413 -8.445 -24.465 355 HA SER 55 HA SER 55 -6.188 -9.787 -27.019 356 HB2 SER 55 HB2 SER 55 -3.984 -8.715 -25.462 357 HB3 SER 55 HB3 SER 55 -3.774 -9.634 -26.796 358 HG SER 55 HG SER 55 -4.918 -8.045 -27.962 359 H LEU 56 H LEU 56 -5.109 -11.973 -26.896 360 HA LEU 56 HA LEU 56 -4.929 -12.946 -24.224 361 HB2 LEU 56 HB2 LEU 56 -6.448 -14.570 -24.364 362 HB3 LEU 56 HB3 LEU 56 -7.151 -13.426 -25.294 363 HG LEU 56 HG LEU 56 -5.779 -15.700 -26.364 364 HD11 LEU 56 HD11 LEU 56 -8.020 -16.570 -26.786 365 HD12 LEU 56 HD12 LEU 56 -8.652 -15.278 -26.046 366 HD13 LEU 56 HD13 LEU 56 -7.803 -16.361 -25.197 367 HD21 LEU 56 HD21 LEU 56 -6.790 -15.156 -28.449 368 HD22 LEU 56 HD22 LEU 56 -5.835 -13.949 -27.954 369 HD23 LEU 56 HD23 LEU 56 -7.440 -13.827 -27.795 370 H THR 57 H THR 57 -3.625 -14.746 -23.813 371 HA THR 57 HA THR 57 -2.349 -15.923 -26.049 372 HB THR 57 HB THR 57 -0.111 -15.699 -24.822 373 HG1 THR 57 HG1 THR 57 -1.670 -13.837 -23.537 374 HG21 THR 57 HG21 THR 57 0.347 -13.584 -25.864 375 HG22 THR 57 HG22 THR 57 -1.236 -13.307 -26.036 376 HG23 THR 57 HG23 THR 57 -0.525 -14.483 -26.887 377 H SER 58 H SER 58 -1.422 -18.051 -25.631 378 HA SER 58 HA SER 58 -2.068 -19.125 -23.037 379 HB2 SER 58 HB2 SER 58 -1.479 -21.277 -24.118 380 HB3 SER 58 HB3 SER 58 -2.752 -20.531 -24.820 381 HG SER 58 HG SER 58 -0.171 -20.709 -25.728 382 H GLY 59 H GLY 59 -0.463 -20.084 -21.663 383 HA2 GLY 59 HA2 GLY 59 2.229 -19.304 -22.370 384 HA3 GLY 59 HA3 GLY 59 1.677 -19.408 -20.837 385 H SER 60 H SER 60 4.035 -20.659 -21.804 386 HA SER 60 HA SER 60 3.463 -23.323 -22.380 387 HB2 SER 60 HB2 SER 60 6.046 -22.256 -21.503 388 HB3 SER 60 HB3 SER 60 5.849 -23.590 -22.424 389 HG SER 60 HG SER 60 5.170 -22.348 -24.111 390 H ASP 61 H ASP 61 3.442 -21.682 -19.548 391 HA ASP 61 HA ASP 61 4.339 -23.785 -17.886 392 HB2 ASP 61 HB2 ASP 61 4.459 -21.311 -17.416 393 HB3 ASP 61 HB3 ASP 61 2.919 -21.478 -16.898 394 H GLY 62 H GLY 62 1.845 -23.857 -19.676 395 HA2 GLY 62 HA2 GLY 62 -0.021 -25.124 -19.520 396 HA3 GLY 62 HA3 GLY 62 0.377 -25.547 -17.994 397 H THR 63 H THR 63 0.172 -22.249 -18.714 398 HA THR 63 HA THR 63 -2.456 -22.091 -17.530 399 HB THR 63 HB THR 63 -1.736 -19.920 -16.532 400 HG1 THR 63 HG1 THR 63 0.744 -20.869 -17.292 401 HG21 THR 63 HG21 THR 63 -0.618 -20.939 -14.677 402 HG22 THR 63 HG22 THR 63 -0.317 -22.260 -15.559 403 HG23 THR 63 HG23 THR 63 -1.835 -21.901 -15.134 404 H VAL 64 H VAL 64 -3.669 -20.067 -18.193 405 HA VAL 64 HA VAL 64 -2.750 -19.088 -20.734 406 HB VAL 64 HB VAL 64 -5.034 -19.111 -21.555 407 HG11 VAL 64 HG11 VAL 64 -5.102 -21.470 -22.047 408 HG12 VAL 64 HG12 VAL 64 -4.003 -21.743 -20.893 409 HG13 VAL 64 HG13 VAL 64 -3.594 -20.912 -22.218 410 HG21 VAL 64 HG21 VAL 64 -6.665 -20.450 -20.401 411 HG22 VAL 64 HG22 VAL 64 -6.199 -19.215 -19.468 412 HG23 VAL 64 HG23 VAL 64 -5.613 -20.697 -19.198 413 H THR 65 H THR 65 -3.698 -16.900 -21.328 414 HA THR 65 HA THR 65 -4.740 -15.539 -19.096 415 HB THR 65 HB THR 65 -2.321 -15.370 -18.748 416 HG1 THR 65 HG1 THR 65 -2.305 -12.936 -18.827 417 HG21 THR 65 HG21 THR 65 -0.992 -14.049 -20.258 418 HG22 THR 65 HG22 THR 65 -2.276 -13.825 -21.215 419 HG23 THR 65 HG23 THR 65 -1.620 -15.296 -21.073 420 H VAL 66 H VAL 66 -5.680 -13.505 -19.369 421 HA VAL 66 HA VAL 66 -5.902 -12.617 -22.114 422 HB VAL 66 HB VAL 66 -7.796 -12.205 -19.976 423 HG11 VAL 66 HG11 VAL 66 -9.187 -11.086 -21.579 424 HG12 VAL 66 HG12 VAL 66 -8.021 -11.224 -22.692 425 HG13 VAL 66 HG13 VAL 66 -7.795 -10.285 -21.395 426 HG21 VAL 66 HG21 VAL 66 -9.279 -13.571 -21.294 427 HG22 VAL 66 HG22 VAL 66 -7.952 -14.408 -20.905 428 HG23 VAL 66 HG23 VAL 66 -8.109 -13.786 -22.389 429 H ARG 67 H ARG 67 -5.095 -10.505 -22.526 430 HA ARG 67 HA ARG 67 -4.192 -9.047 -20.240 431 HB2 ARG 67 HB2 ARG 67 -1.938 -8.973 -21.058 432 HB3 ARG 67 HB3 ARG 67 -2.390 -10.529 -20.856 433 HG2 ARG 67 HG2 ARG 67 -2.738 -10.755 -23.171 434 HG3 ARG 67 HG3 ARG 67 -2.374 -9.179 -23.398 435 HD2 ARG 67 HD2 ARG 67 -0.159 -9.652 -22.542 436 HD3 ARG 67 HD3 ARG 67 -0.550 -11.238 -22.566 437 HE ARG 67 HE ARG 67 -1.056 -10.245 -25.078 438 HH11 ARG 67 HH11 ARG 67 0.355 -10.535 -26.785 439 HH12 ARG 67 HH12 ARG 67 2.015 -10.935 -26.494 440 HH21 ARG 67 HH21 ARG 67 1.703 -10.965 -23.019 441 HH22 ARG 67 HH22 ARG 67 2.780 -11.179 -24.359 442 H ASN 68 H ASN 68 -3.036 -6.946 -20.850 443 HA ASN 68 HA ASN 68 -3.016 -5.050 -21.980 444 HB2 ASN 68 HB2 ASN 68 -3.151 -6.789 -24.278 445 HB3 ASN 68 HB3 ASN 68 -2.882 -5.187 -24.440 446 HD21 ASN 68 HD21 ASN 68 0.510 -5.829 -24.484 447 HD22 ASN 68 HD22 ASN 68 -0.865 -5.198 -25.328 448 H VAL 69 H VAL 69 -5.279 -4.959 -20.850 449 HA VAL 69 HA VAL 69 -7.457 -4.681 -22.512 450 HB VAL 69 HB VAL 69 -6.900 -3.504 -19.932 451 HG11 VAL 69 HG11 VAL 69 -9.133 -2.663 -19.812 452 HG12 VAL 69 HG12 VAL 69 -9.391 -3.109 -21.344 453 HG13 VAL 69 HG13 VAL 69 -8.331 -1.935 -21.012 454 HG21 VAL 69 HG21 VAL 69 -8.592 -5.032 -19.173 455 HG22 VAL 69 HG22 VAL 69 -7.419 -5.842 -19.937 456 HG23 VAL 69 HG23 VAL 69 -8.817 -5.540 -20.692 457 H ASP 70 H ASP 70 -8.025 -3.220 -24.027 458 HA ASP 70 HA ASP 70 -6.314 -0.940 -24.289 459 HB2 ASP 70 HB2 ASP 70 -6.984 -0.935 -26.600 460 HB3 ASP 70 HB3 ASP 70 -6.570 -2.464 -26.201 461 H HIS 71 H HIS 71 -9.541 -1.800 -23.722 462 HA HIS 71 HA HIS 71 -10.605 0.595 -24.710 463 HB2 HIS 71 HB2 HIS 71 -12.738 -0.363 -23.804 464 HB3 HIS 71 HB3 HIS 71 -11.998 -1.257 -24.954 465 HD1 HIS 71 HD1 HIS 71 -13.044 -1.316 -21.454 466 HD2 HIS 71 HD2 HIS 71 -10.778 -3.633 -23.960 467 HE1 HIS 71 HE1 HIS 71 -12.731 -3.545 -20.393 468 HE2 HIS 71 HE2 HIS 71 -11.354 -4.964 -21.885 469 H ASN 72 H ASN 72 -8.984 0.177 -22.025 470 HA ASN 72 HA ASN 72 -10.558 1.660 -20.229 471 HB2 ASN 72 HB2 ASN 72 -8.682 1.699 -18.825 472 HB3 ASN 72 HB3 ASN 72 -8.773 0.208 -19.487 473 HD21 ASN 72 HD21 ASN 72 -5.382 2.050 -19.705 474 HD22 ASN 72 HD22 ASN 72 -6.622 2.267 -18.515 475 H ARG 73 H ARG 73 -8.839 2.349 -22.945 476 HA ARG 73 HA ARG 73 -8.085 4.977 -22.351 477 HB2 ARG 73 HB2 ARG 73 -7.060 3.593 -24.081 478 HB3 ARG 73 HB3 ARG 73 -8.426 3.751 -24.961 479 HG2 ARG 73 HG2 ARG 73 -7.982 6.071 -25.215 480 HG3 ARG 73 HG3 ARG 73 -6.603 5.894 -24.359 481 HD2 ARG 73 HD2 ARG 73 -6.057 5.847 -26.645 482 HD3 ARG 73 HD3 ARG 73 -5.820 4.349 -26.040 483 HE ARG 73 HE ARG 73 -8.370 4.848 -27.236 484 HH11 ARG 73 HH11 ARG 73 -5.176 3.413 -27.618 485 HH12 ARG 73 HH12 ARG 73 -5.685 2.390 -28.920 486 HH21 ARG 73 HH21 ARG 73 -8.998 3.486 -28.868 487 HH22 ARG 73 HH22 ARG 73 -7.852 2.432 -29.627 488 H VAL 74 H VAL 74 -10.997 3.574 -23.243 489 HA VAL 74 HA VAL 74 -11.962 5.964 -24.443 490 HB VAL 74 HB VAL 74 -13.322 3.401 -24.199 491 HG11 VAL 74 HG11 VAL 74 -14.889 4.216 -25.813 492 HG12 VAL 74 HG12 VAL 74 -14.147 5.653 -25.815 493 HG13 VAL 74 HG13 VAL 74 -14.922 5.145 -24.489 494 HG21 VAL 74 HG21 VAL 74 -12.760 3.067 -26.515 495 HG22 VAL 74 HG22 VAL 74 -11.410 3.238 -25.641 496 HG23 VAL 74 HG23 VAL 74 -11.961 4.472 -26.528 497 H VAL 75 H VAL 75 -12.574 3.967 -21.689 498 HA VAL 75 HA VAL 75 -14.693 5.569 -20.743 499 HB VAL 75 HB VAL 75 -14.655 4.102 -18.814 500 HG11 VAL 75 HG11 VAL 75 -15.132 2.046 -19.961 501 HG12 VAL 75 HG12 VAL 75 -14.441 2.627 -21.302 502 HG13 VAL 75 HG13 VAL 75 -15.811 3.284 -20.749 503 HG21 VAL 75 HG21 VAL 75 -12.990 2.384 -18.654 504 HG22 VAL 75 HG22 VAL 75 -12.286 3.839 -18.606 505 HG23 VAL 75 HG23 VAL 75 -12.251 2.969 -19.969 506 HA PRO 76 HA PRO 76 -12.271 8.283 -18.305 507 HB2 PRO 76 HB2 PRO 76 -13.616 8.593 -16.018 508 HB3 PRO 76 HB3 PRO 76 -14.160 9.309 -17.382 509 HG2 PRO 76 HG2 PRO 76 -15.019 6.860 -16.229 510 HG3 PRO 76 HG3 PRO 76 -15.939 8.078 -16.810 511 HD2 PRO 76 HD2 PRO 76 -15.506 5.980 -18.270 512 HD3 PRO 76 HD3 PRO 76 -15.605 7.451 -18.974 513 HA PRO 77 HA PRO 77 -9.701 5.856 -15.942 514 HB2 PRO 77 HB2 PRO 77 -8.263 7.605 -14.523 515 HB3 PRO 77 HB3 PRO 77 -8.083 7.575 -16.146 516 HG2 PRO 77 HG2 PRO 77 -9.711 9.317 -14.600 517 HG3 PRO 77 HG3 PRO 77 -8.684 9.710 -15.807 518 HD2 PRO 77 HD2 PRO 77 -11.231 9.500 -16.276 519 HD3 PRO 77 HD3 PRO 77 -10.150 9.064 -17.419 520 H ASP 78 H ASP 78 -8.734 5.481 -13.696 521 HA ASP 78 HA ASP 78 -9.296 4.565 -11.800 522 HB2 ASP 78 HB2 ASP 78 -10.147 6.139 -10.082 523 HB3 ASP 78 HB3 ASP 78 -8.781 6.584 -10.857 524 H GLY 79 H GLY 79 -11.176 3.917 -13.727 525 HA2 GLY 79 HA2 GLY 79 -13.417 3.301 -12.003 526 HA3 GLY 79 HA3 GLY 79 -13.539 3.432 -13.626 527 H SER 80 H SER 80 -14.628 1.334 -13.482 528 HA SER 80 HA SER 80 -12.691 -0.814 -13.385 529 HB2 SER 80 HB2 SER 80 -14.512 -0.957 -11.719 530 HB3 SER 80 HB3 SER 80 -15.540 -1.186 -12.967 531 HG SER 80 HG SER 80 -15.060 -3.167 -12.357 532 H VAL 81 H VAL 81 -12.784 -2.461 -15.049 533 HA VAL 81 HA VAL 81 -14.427 -1.734 -17.275 534 HB VAL 81 HB VAL 81 -12.536 -2.168 -18.808 535 HG11 VAL 81 HG11 VAL 81 -11.518 -0.021 -18.495 536 HG12 VAL 81 HG12 VAL 81 -12.164 0.075 -17.016 537 HG13 VAL 81 HG13 VAL 81 -13.121 0.099 -18.319 538 HG21 VAL 81 HG21 VAL 81 -10.324 -2.136 -17.914 539 HG22 VAL 81 HG22 VAL 81 -11.137 -3.406 -17.331 540 HG23 VAL 81 HG23 VAL 81 -10.923 -2.093 -16.412 541 H THR 82 H THR 82 -15.011 -3.496 -18.733 542 HA THR 82 HA THR 82 -14.232 -6.054 -17.709 543 HB THR 82 HB THR 82 -16.513 -5.650 -16.965 544 HG1 THR 82 HG1 THR 82 -17.440 -7.539 -17.684 545 HG21 THR 82 HG21 THR 82 -18.280 -5.455 -18.575 546 HG22 THR 82 HG22 THR 82 -17.209 -5.525 -19.784 547 HG23 THR 82 HG23 THR 82 -17.236 -4.241 -18.802 548 H PHE 83 H PHE 83 -14.488 -7.926 -19.181 549 HA PHE 83 HA PHE 83 -14.727 -7.369 -21.943 550 HB2 PHE 83 HB2 PHE 83 -12.451 -8.235 -22.422 551 HB3 PHE 83 HB3 PHE 83 -12.512 -6.708 -21.846 552 HD1 PHE 83 HD1 PHE 83 -11.665 -10.075 -20.997 553 HD2 PHE 83 HD2 PHE 83 -11.580 -6.148 -19.716 554 HE1 PHE 83 HE1 PHE 83 -10.200 -10.684 -19.215 555 HE2 PHE 83 HE2 PHE 83 -10.120 -6.748 -17.935 556 HZ PHE 83 HZ PHE 83 -9.396 -9.019 -17.702 557 H GLY 84 H GLY 84 -14.347 -9.464 -23.282 558 HA2 GLY 84 HA2 GLY 84 -14.964 -11.734 -21.605 559 HA3 GLY 84 HA3 GLY 84 -15.912 -11.381 -22.888 560 H PHE 85 H PHE 85 -14.746 -13.874 -22.564 561 HA PHE 85 HA PHE 85 -13.190 -13.979 -24.953 562 HB2 PHE 85 HB2 PHE 85 -11.471 -15.305 -24.002 563 HB3 PHE 85 HB3 PHE 85 -11.566 -13.907 -23.163 564 HD1 PHE 85 HD1 PHE 85 -12.377 -13.883 -20.865 565 HD2 PHE 85 HD2 PHE 85 -12.037 -17.417 -22.981 566 HE1 PHE 85 HE1 PHE 85 -12.662 -15.120 -18.836 567 HE2 PHE 85 HE2 PHE 85 -12.296 -18.655 -20.956 568 HZ PHE 85 HZ PHE 85 -12.610 -17.510 -18.881 569 H THR 86 H THR 86 -12.827 -16.382 -25.636 570 HA THR 86 HA THR 86 -14.924 -18.011 -24.572 571 HB THR 86 HB THR 86 -15.732 -17.149 -26.698 572 HG1 THR 86 HG1 THR 86 -15.797 -19.592 -25.945 573 HG21 THR 86 HG21 THR 86 -14.670 -17.825 -28.737 574 HG22 THR 86 HG22 THR 86 -13.512 -18.584 -27.902 575 HG23 THR 86 HG23 THR 86 -13.615 -16.971 -27.858 576 H ALA 87 H ALA 87 -14.664 -20.332 -24.800 577 HA ALA 87 HA ALA 87 -11.932 -21.120 -25.321 578 HB1 ALA 87 HB1 ALA 87 -12.186 -20.984 -22.940 579 HB2 ALA 87 HB2 ALA 87 -11.999 -22.534 -23.358 580 HB3 ALA 87 HB3 ALA 87 -13.470 -21.964 -23.006 581 H THR 88 H THR 88 -11.640 -23.387 -25.897 582 HA THR 88 HA THR 88 -14.082 -24.624 -26.800 583 HB THR 88 HB THR 88 -12.646 -25.702 -28.561 584 HG1 THR 88 HG1 THR 88 -10.638 -25.420 -28.197 585 HG21 THR 88 HG21 THR 88 -12.768 -23.791 -30.001 586 HG22 THR 88 HG22 THR 88 -12.958 -22.817 -28.725 587 HG23 THR 88 HG23 THR 88 -14.127 -23.860 -29.128 588 H SER 89 H SER 89 -14.053 -27.050 -26.752 589 HA SER 89 HA SER 89 -12.136 -28.039 -24.927 590 HB2 SER 89 HB2 SER 89 -14.047 -27.093 -23.594 591 HB3 SER 89 HB3 SER 89 -14.981 -28.272 -24.229 592 HG SER 89 HG SER 89 -13.121 -28.417 -22.294 593 H THR 90 H THR 90 -12.032 -30.290 -24.513 594 HA THR 90 HA THR 90 -13.766 -31.920 -26.136 595 HB THR 90 HB THR 90 -11.677 -31.940 -27.277 596 HG1 THR 90 HG1 THR 90 -11.893 -34.381 -26.040 597 HG21 THR 90 HG21 THR 90 -9.699 -32.770 -26.187 598 HG22 THR 90 HG22 THR 90 -10.516 -32.943 -24.803 599 HG23 THR 90 HG23 THR 90 -10.222 -31.465 -25.388 600 H GLY 91 H GLY 91 -13.339 -30.944 -23.270 601 HA2 GLY 91 HA2 GLY 91 -14.014 -33.400 -22.024 602 HA3 GLY 91 HA3 GLY 91 -12.564 -32.813 -21.553 603 H ASN 92 H ASN 92 -12.450 -30.672 -20.530 604 HA ASN 92 HA ASN 92 -14.691 -30.337 -18.863 605 HB2 ASN 92 HB2 ASN 92 -12.049 -29.225 -18.868 606 HB3 ASN 92 HB3 ASN 92 -13.184 -28.407 -18.025 607 HD21 ASN 92 HD21 ASN 92 -12.401 -30.223 -15.199 608 HD22 ASN 92 HD22 ASN 92 -12.510 -28.661 -15.940 609 H ASP 93 H ASP 93 -16.468 -29.339 -19.700 610 HA ASP 93 HA ASP 93 -16.142 -27.080 -21.375 611 HB2 ASP 93 HB2 ASP 93 -18.507 -28.347 -20.315 612 HB3 ASP 93 HB3 ASP 93 -18.614 -26.982 -21.205 613 H PHE 94 H PHE 94 -15.541 -27.391 -18.306 614 HA PHE 94 HA PHE 94 -16.435 -24.745 -17.656 615 HB2 PHE 94 HB2 PHE 94 -16.439 -26.969 -15.787 616 HB3 PHE 94 HB3 PHE 94 -16.875 -25.446 -15.389 617 HD1 PHE 94 HD1 PHE 94 -18.987 -24.492 -16.293 618 HD2 PHE 94 HD2 PHE 94 -17.991 -28.473 -16.788 619 HE1 PHE 94 HE1 PHE 94 -21.233 -24.969 -16.944 620 HE2 PHE 94 HE2 PHE 94 -20.244 -28.963 -17.402 621 HZ PHE 94 HZ PHE 94 -21.869 -27.208 -17.486 622 HA PRO 95 HA PRO 95 -12.330 -24.167 -16.239 623 HB2 PRO 95 HB2 PRO 95 -12.540 -22.083 -14.587 624 HB3 PRO 95 HB3 PRO 95 -12.778 -21.833 -16.183 625 HG2 PRO 95 HG2 PRO 95 -14.750 -22.250 -14.165 626 HG3 PRO 95 HG3 PRO 95 -14.741 -21.111 -15.336 627 HD2 PRO 95 HD2 PRO 95 -16.142 -23.302 -15.609 628 HD3 PRO 95 HD3 PRO 95 -15.491 -22.561 -16.911 629 H VAL 96 H VAL 96 -10.964 -23.842 -14.154 630 HA VAL 96 HA VAL 96 -11.712 -26.043 -12.599 631 HB VAL 96 HB VAL 96 -9.370 -24.339 -12.217 632 HG11 VAL 96 HG11 VAL 96 -8.414 -26.135 -10.958 633 HG12 VAL 96 HG12 VAL 96 -9.778 -26.987 -11.125 634 HG13 VAL 96 HG13 VAL 96 -9.776 -25.628 -10.250 635 HG21 VAL 96 HG21 VAL 96 -8.139 -25.986 -13.444 636 HG22 VAL 96 HG22 VAL 96 -9.314 -25.372 -14.368 637 HG23 VAL 96 HG23 VAL 96 -9.498 -26.827 -13.688 638 H ASP 97 H ASP 97 -11.071 -22.677 -11.865 639 HA ASP 97 HA ASP 97 -12.891 -22.748 -9.681 640 HB2 ASP 97 HB2 ASP 97 -10.697 -23.471 -8.789 641 HB3 ASP 97 HB3 ASP 97 -10.179 -21.950 -9.081 642 H SER 98 H SER 98 -12.809 -20.488 -8.498 643 HA SER 98 HA SER 98 -12.980 -18.472 -10.460 644 HB2 SER 98 HB2 SER 98 -13.037 -17.994 -7.601 645 HB3 SER 98 HB3 SER 98 -13.823 -17.135 -8.746 646 HG SER 98 HG SER 98 -15.410 -18.308 -8.053 647 H ILE 99 H ILE 99 -11.638 -16.622 -10.749 648 HA ILE 99 HA ILE 99 -9.122 -16.820 -9.455 649 HB ILE 99 HB ILE 99 -7.952 -16.523 -11.642 650 HG12 ILE 99 HG12 ILE 99 -9.645 -17.542 -13.405 651 HG13 ILE 99 HG13 ILE 99 -10.582 -16.497 -12.569 652 HG21 ILE 99 HG21 ILE 99 -8.081 -18.856 -12.250 653 HG22 ILE 99 HG22 ILE 99 -9.407 -19.022 -11.339 654 HG23 ILE 99 HG23 ILE 99 -7.981 -18.708 -10.642 655 HD11 ILE 99 HD11 ILE 99 -9.669 -15.434 -14.472 656 HD12 ILE 99 HD12 ILE 99 -8.172 -15.766 -13.959 657 HD13 ILE 99 HD13 ILE 99 -9.100 -14.731 -13.132 658 H GLY 100 H GLY 100 -7.626 -14.979 -9.676 659 HA2 GLY 100 HA2 GLY 100 -9.162 -12.551 -9.942 660 HA3 GLY 100 HA3 GLY 100 -7.872 -12.730 -8.957 661 H CYS 101 H CYS 101 -7.125 -10.693 -9.942 662 HA CYS 101 HA CYS 101 -6.076 -11.115 -12.579 663 HB2 CYS 101 HB2 CYS 101 -5.921 -8.738 -12.692 664 HB3 CYS 101 HB3 CYS 101 -7.448 -9.291 -12.518 665 H VAL 102 H VAL 102 -3.967 -10.107 -13.162 666 HA VAL 102 HA VAL 102 -2.253 -9.856 -10.874 667 HB VAL 102 HB VAL 102 -0.434 -10.910 -12.101 668 HG11 VAL 102 HG11 VAL 102 -1.228 -13.165 -11.860 669 HG12 VAL 102 HG12 VAL 102 -2.750 -12.627 -11.770 670 HG13 VAL 102 HG13 VAL 102 -1.698 -12.280 -10.592 671 HG21 VAL 102 HG21 VAL 102 -0.903 -12.080 -14.121 672 HG22 VAL 102 HG22 VAL 102 -1.180 -10.499 -14.316 673 HG23 VAL 102 HG23 VAL 102 -2.419 -11.516 -14.105 674 H ALA 103 H ALA 103 -0.181 -8.622 -11.360 675 HA ALA 103 HA ALA 103 -0.641 -6.626 -13.424 676 HB1 ALA 103 HB1 ALA 103 -0.815 -5.631 -11.265 677 HB2 ALA 103 HB2 ALA 103 0.518 -5.072 -11.989 678 HB3 ALA 103 HB3 ALA 103 0.635 -6.218 -10.855 679 HA PRO 104 HA PRO 104 3.259 -7.952 -14.851 680 HB2 PRO 104 HB2 PRO 104 4.135 -5.898 -16.300 681 HB3 PRO 104 HB3 PRO 104 2.816 -6.702 -16.831 682 HG2 PRO 104 HG2 PRO 104 2.894 -4.285 -15.321 683 HG3 PRO 104 HG3 PRO 104 2.023 -4.596 -16.667 684 HD2 PRO 104 HD2 PRO 104 0.923 -4.794 -14.305 685 HD3 PRO 104 HD3 PRO 104 0.456 -5.783 -15.519 Start of MODEL 2 1 H1 HIS 1 H1 HIS 1 -3.127 -12.384 1.288 2 H2 HIS 1 H2 HIS 1 -2.522 -12.268 -0.207 3 H3 HIS 1 H3 HIS 1 -4.092 -12.592 0.007 4 HA HIS 1 HA HIS 1 -4.432 -10.469 0.925 5 HB2 HIS 1 HB2 HIS 1 -1.597 -10.136 0.473 6 HB3 HIS 1 HB3 HIS 1 -2.567 -8.842 0.699 7 HD1 HIS 1 HD1 HIS 1 -0.453 -11.063 2.500 8 HD2 HIS 1 HD2 HIS 1 -3.854 -8.946 3.347 9 HE1 HIS 1 HE1 HIS 1 -0.696 -10.937 4.973 10 HE2 HIS 1 HE2 HIS 1 -2.758 -9.670 5.518 11 H THR 2 H THR 2 -5.400 -8.934 -0.418 12 HA THR 2 HA THR 2 -5.281 -9.420 -3.146 13 HB THR 2 HB THR 2 -7.227 -8.366 -2.163 14 HG1 THR 2 HG1 THR 2 -6.784 -8.196 -4.412 15 HG21 THR 2 HG21 THR 2 -7.165 -6.029 -1.650 16 HG22 THR 2 HG22 THR 2 -5.589 -5.974 -2.007 17 HG23 THR 2 HG23 THR 2 -6.096 -6.794 -0.709 18 H GLY 3 H GLY 3 -4.535 -7.889 -4.871 19 HA2 GLY 3 HA2 GLY 3 -2.211 -6.405 -3.977 20 HA3 GLY 3 HA3 GLY 3 -2.250 -7.231 -5.385 21 H SER 4 H SER 4 -2.413 -6.013 -7.156 22 HA SER 4 HA SER 4 -3.344 -3.377 -6.940 23 HB2 SER 4 HB2 SER 4 -2.914 -3.351 -9.395 24 HB3 SER 4 HB3 SER 4 -1.616 -3.836 -8.532 25 HG SER 4 HG SER 4 -2.438 -6.008 -8.891 26 H CYS 5 H CYS 5 -4.860 -6.295 -7.445 27 HA CYS 5 HA CYS 5 -7.307 -5.126 -8.103 28 HB2 CYS 5 HB2 CYS 5 -7.569 -6.235 -10.200 29 HB3 CYS 5 HB3 CYS 5 -6.391 -5.104 -10.232 30 H MET 6 H MET 6 -9.094 -6.711 -8.512 31 HA MET 6 HA MET 6 -8.419 -9.435 -7.838 32 HB2 MET 6 HB2 MET 6 -10.369 -7.847 -6.526 33 HB3 MET 6 HB3 MET 6 -10.792 -9.395 -6.832 34 HG2 MET 6 HG2 MET 6 -8.502 -8.599 -5.355 35 HG3 MET 6 HG3 MET 6 -9.914 -9.064 -4.680 36 HE1 MET 6 HE1 MET 6 -7.796 -12.175 -3.812 37 HE2 MET 6 HE2 MET 6 -8.836 -11.089 -3.218 38 HE3 MET 6 HE3 MET 6 -7.367 -10.620 -3.707 39 H ALA 7 H ALA 7 -9.733 -11.032 -8.998 40 HA ALA 7 HA ALA 7 -11.211 -9.806 -11.148 41 HB1 ALA 7 HB1 ALA 7 -9.313 -11.074 -11.919 42 HB2 ALA 7 HB2 ALA 7 -10.671 -11.763 -12.463 43 HB3 ALA 7 HB3 ALA 7 -9.895 -12.398 -11.195 44 H VAL 8 H VAL 8 -13.170 -10.660 -11.906 45 HA VAL 8 HA VAL 8 -14.488 -12.502 -10.112 46 HB VAL 8 HB VAL 8 -15.772 -10.184 -11.292 47 HG11 VAL 8 HG11 VAL 8 -17.695 -10.772 -9.991 48 HG12 VAL 8 HG12 VAL 8 -16.936 -12.097 -9.458 49 HG13 VAL 8 HG13 VAL 8 -17.334 -11.966 -11.020 50 HG21 VAL 8 HG21 VAL 8 -15.882 -9.292 -9.056 51 HG22 VAL 8 HG22 VAL 8 -14.339 -9.511 -9.487 52 HG23 VAL 8 HG23 VAL 8 -15.061 -10.571 -8.503 53 H TYR 9 H TYR 9 -15.770 -14.114 -11.143 54 HA TYR 9 HA TYR 9 -15.705 -13.984 -14.010 55 HB2 TYR 9 HB2 TYR 9 -14.314 -15.751 -13.364 56 HB3 TYR 9 HB3 TYR 9 -15.428 -16.310 -12.309 57 HD1 TYR 9 HD1 TYR 9 -17.150 -17.841 -13.017 58 HD2 TYR 9 HD2 TYR 9 -14.639 -16.095 -15.802 59 HE1 TYR 9 HE1 TYR 9 -17.996 -19.315 -14.706 60 HE2 TYR 9 HE2 TYR 9 -15.499 -17.546 -17.489 61 HH TYR 9 HH TYR 9 -17.318 -20.276 -16.893 62 H SER 10 H SER 10 -17.534 -14.244 -15.201 63 HA SER 10 HA SER 10 -19.835 -15.345 -13.848 64 HB2 SER 10 HB2 SER 10 -21.129 -13.726 -15.327 65 HB3 SER 10 HB3 SER 10 -20.438 -13.119 -13.977 66 HG SER 10 HG SER 10 -18.698 -12.430 -15.191 67 H VAL 11 H VAL 11 -21.210 -16.729 -15.067 68 HA VAL 11 HA VAL 11 -20.073 -17.699 -17.471 69 HB VAL 11 HB VAL 11 -22.585 -18.451 -16.244 70 HG11 VAL 11 HG11 VAL 11 -22.603 -20.332 -17.727 71 HG12 VAL 11 HG12 VAL 11 -21.271 -19.776 -18.457 72 HG13 VAL 11 HG13 VAL 11 -22.660 -18.956 -18.576 73 HG21 VAL 11 HG21 VAL 11 -21.394 -20.426 -15.517 74 HG22 VAL 11 HG22 VAL 11 -20.677 -19.105 -14.919 75 HG23 VAL 11 HG23 VAL 11 -20.039 -19.863 -16.197 76 H GLU 12 H GLU 12 -20.438 -16.865 -19.486 77 HA GLU 12 HA GLU 12 -22.418 -14.831 -19.696 78 HB2 GLU 12 HB2 GLU 12 -20.382 -14.271 -20.667 79 HB3 GLU 12 HB3 GLU 12 -20.313 -15.686 -21.480 80 HG2 GLU 12 HG2 GLU 12 -21.734 -14.982 -23.065 81 HG3 GLU 12 HG3 GLU 12 -22.353 -13.808 -22.114 82 H ASN 13 H ASN 13 -21.632 -17.811 -21.299 83 HA ASN 13 HA ASN 13 -24.363 -18.361 -21.822 84 HB2 ASN 13 HB2 ASN 13 -23.742 -17.012 -23.730 85 HB3 ASN 13 HB3 ASN 13 -22.603 -18.121 -24.102 86 HD21 ASN 13 HD21 ASN 13 -24.861 -19.453 -26.361 87 HD22 ASN 13 HD22 ASN 13 -23.390 -18.563 -26.157 88 H SER 14 H SER 14 -24.588 -20.630 -22.879 89 HA SER 14 HA SER 14 -22.179 -22.159 -22.709 90 HB2 SER 14 HB2 SER 14 -23.220 -23.903 -21.369 91 HB3 SER 14 HB3 SER 14 -23.095 -22.507 -20.532 92 HG SER 14 HG SER 14 -25.229 -22.057 -20.983 93 H TRP 15 H TRP 15 -22.255 -24.197 -23.902 94 HA TRP 15 HA TRP 15 -24.594 -24.681 -25.438 95 HB2 TRP 15 HB2 TRP 15 -23.433 -24.491 -27.566 96 HB3 TRP 15 HB3 TRP 15 -23.672 -23.054 -26.828 97 HD1 TRP 15 HD1 TRP 15 -20.789 -25.470 -26.565 98 HE1 TRP 15 HE1 TRP 15 -18.580 -24.316 -26.892 99 HE3 TRP 15 HE3 TRP 15 -22.589 -20.897 -27.420 100 HZ2 TRP 15 HZ2 TRP 15 -17.822 -21.697 -27.556 101 HZ3 TRP 15 HZ3 TRP 15 -21.058 -19.124 -27.927 102 HH2 TRP 15 HH2 TRP 15 -18.698 -19.527 -27.993 103 H SER 16 H SER 16 -23.989 -26.539 -27.185 104 HA SER 16 HA SER 16 -23.019 -28.669 -25.712 105 HB2 SER 16 HB2 SER 16 -22.778 -29.512 -28.233 106 HB3 SER 16 HB3 SER 16 -24.208 -29.522 -27.444 107 HG SER 16 HG SER 16 -24.036 -28.419 -29.543 108 H GLY 17 H GLY 17 -21.023 -29.263 -25.117 109 HA2 GLY 17 HA2 GLY 17 -18.883 -29.855 -25.671 110 HA3 GLY 17 HA3 GLY 17 -18.946 -28.958 -27.034 111 H GLY 18 H GLY 18 -19.946 -26.885 -24.737 112 HA2 GLY 18 HA2 GLY 18 -17.645 -26.218 -23.418 113 HA3 GLY 18 HA3 GLY 18 -17.583 -25.438 -24.852 114 H PHE 19 H PHE 19 -17.453 -23.491 -23.449 115 HA PHE 19 HA PHE 19 -20.049 -22.465 -23.089 116 HB2 PHE 19 HB2 PHE 19 -19.771 -21.898 -20.756 117 HB3 PHE 19 HB3 PHE 19 -19.720 -23.517 -20.964 118 HD1 PHE 19 HD1 PHE 19 -17.681 -24.764 -20.587 119 HD2 PHE 19 HD2 PHE 19 -17.770 -20.657 -20.111 120 HE1 PHE 19 HE1 PHE 19 -15.594 -24.857 -19.428 121 HE2 PHE 19 HE2 PHE 19 -15.675 -20.742 -18.970 122 HZ PHE 19 HZ PHE 19 -14.582 -22.842 -18.620 123 H GLN 20 H GLN 20 -20.082 -20.155 -22.292 124 HA GLN 20 HA GLN 20 -17.746 -18.756 -23.275 125 HB2 GLN 20 HB2 GLN 20 -20.337 -18.475 -23.996 126 HB3 GLN 20 HB3 GLN 20 -19.963 -17.131 -23.146 127 HG2 GLN 20 HG2 GLN 20 -18.291 -16.578 -24.640 128 HG3 GLN 20 HG3 GLN 20 -18.453 -18.004 -25.418 129 HE21 GLN 20 HE21 GLN 20 -20.350 -14.960 -26.890 130 HE22 GLN 20 HE22 GLN 20 -18.900 -14.938 -25.943 131 H GLY 21 H GLY 21 -16.712 -17.299 -21.905 132 HA2 GLY 21 HA2 GLY 21 -17.973 -16.954 -19.324 133 HA3 GLY 21 HA3 GLY 21 -16.404 -17.391 -19.445 134 H SER 22 H SER 22 -17.965 -14.971 -18.407 135 HA SER 22 HA SER 22 -16.380 -12.962 -19.759 136 HB2 SER 22 HB2 SER 22 -18.105 -11.448 -18.624 137 HB3 SER 22 HB3 SER 22 -18.517 -12.206 -20.012 138 HG SER 22 HG SER 22 -20.037 -13.118 -19.003 139 H VAL 23 H VAL 23 -15.156 -11.457 -18.534 140 HA VAL 23 HA VAL 23 -14.922 -12.153 -15.783 141 HB VAL 23 HB VAL 23 -12.363 -11.665 -16.323 142 HG11 VAL 23 HG11 VAL 23 -12.016 -14.032 -16.064 143 HG12 VAL 23 HG12 VAL 23 -13.590 -14.293 -16.324 144 HG13 VAL 23 HG13 VAL 23 -13.109 -13.513 -14.991 145 HG21 VAL 23 HG21 VAL 23 -11.772 -12.916 -18.290 146 HG22 VAL 23 HG22 VAL 23 -12.723 -11.672 -18.695 147 HG23 VAL 23 HG23 VAL 23 -13.338 -13.165 -18.608 148 H GLU 24 H GLU 24 -14.851 -10.474 -14.397 149 HA GLU 24 HA GLU 24 -14.338 -7.854 -15.516 150 HB2 GLU 24 HB2 GLU 24 -16.544 -8.179 -14.605 151 HB3 GLU 24 HB3 GLU 24 -15.868 -8.465 -13.146 152 HG2 GLU 24 HG2 GLU 24 -15.001 -6.231 -13.167 153 HG3 GLU 24 HG3 GLU 24 -15.817 -5.964 -14.556 154 H VAL 25 H VAL 25 -12.789 -6.494 -14.530 155 HA VAL 25 HA VAL 25 -11.431 -7.663 -12.281 156 HB VAL 25 HB VAL 25 -10.068 -6.381 -14.509 157 HG11 VAL 25 HG11 VAL 25 -8.031 -6.904 -13.380 158 HG12 VAL 25 HG12 VAL 25 -8.867 -7.499 -12.130 159 HG13 VAL 25 HG13 VAL 25 -8.929 -5.919 -12.466 160 HG21 VAL 25 HG21 VAL 25 -9.133 -8.547 -14.946 161 HG22 VAL 25 HG22 VAL 25 -10.745 -8.619 -15.046 162 HG23 VAL 25 HG23 VAL 25 -9.991 -9.172 -13.727 163 H MET 26 H MET 26 -11.530 -6.373 -10.521 164 HA MET 26 HA MET 26 -12.172 -3.635 -10.949 165 HB2 MET 26 HB2 MET 26 -12.563 -3.517 -8.614 166 HB3 MET 26 HB3 MET 26 -13.368 -4.780 -9.264 167 HG2 MET 26 HG2 MET 26 -12.598 -5.706 -7.478 168 HG3 MET 26 HG3 MET 26 -11.433 -6.093 -8.554 169 HE1 MET 26 HE1 MET 26 -11.050 -2.966 -5.288 170 HE2 MET 26 HE2 MET 26 -12.273 -4.017 -5.412 171 HE3 MET 26 HE3 MET 26 -12.113 -2.831 -6.499 172 H ASN 27 H ASN 27 -10.984 -1.818 -10.201 173 HA ASN 27 HA ASN 27 -8.175 -2.359 -10.000 174 HB2 ASN 27 HB2 ASN 27 -9.049 -0.649 -11.529 175 HB3 ASN 27 HB3 ASN 27 -9.416 0.243 -10.212 176 HD21 ASN 27 HD21 ASN 27 -6.319 1.686 -11.292 177 HD22 ASN 27 HD22 ASN 27 -8.003 1.697 -11.700 178 H HIS 28 H HIS 28 -7.019 -2.249 -8.092 179 HA HIS 28 HA HIS 28 -8.440 -1.377 -5.786 180 HB2 HIS 28 HB2 HIS 28 -6.933 -3.330 -5.779 181 HB3 HIS 28 HB3 HIS 28 -5.695 -2.265 -5.781 182 HD1 HIS 28 HD1 HIS 28 -5.520 -0.608 -3.646 183 HD2 HIS 28 HD2 HIS 28 -7.876 -3.932 -3.287 184 HE1 HIS 28 HE1 HIS 28 -5.963 -0.988 -1.230 185 HE2 HIS 28 HE2 HIS 28 -7.414 -2.978 -0.984 186 H GLY 29 H GLY 29 -6.330 -0.125 -8.066 187 HA2 GLY 29 HA2 GLY 29 -5.647 2.152 -6.451 188 HA3 GLY 29 HA3 GLY 29 -5.112 1.858 -7.965 189 H THR 30 H THR 30 -5.995 4.389 -7.467 190 HA THR 30 HA THR 30 -8.707 4.500 -8.303 191 HB THR 30 HB THR 30 -8.512 6.256 -6.894 192 HG1 THR 30 HG1 THR 30 -8.247 7.056 -9.388 193 HG21 THR 30 HG21 THR 30 -6.450 7.456 -6.534 194 HG22 THR 30 HG22 THR 30 -5.760 6.670 -7.767 195 HG23 THR 30 HG23 THR 30 -6.151 5.872 -6.417 196 H GLU 31 H GLU 31 -5.572 4.812 -9.570 197 HA GLU 31 HA GLU 31 -6.583 5.788 -12.090 198 HB2 GLU 31 HB2 GLU 31 -3.852 5.814 -11.143 199 HB3 GLU 31 HB3 GLU 31 -4.342 6.467 -12.557 200 HG2 GLU 31 HG2 GLU 31 -5.685 8.025 -11.326 201 HG3 GLU 31 HG3 GLU 31 -5.075 7.413 -9.940 202 HA PRO 32 HA PRO 32 -5.665 1.865 -13.772 203 HB2 PRO 32 HB2 PRO 32 -5.812 2.340 -16.385 204 HB3 PRO 32 HB3 PRO 32 -7.180 2.465 -15.503 205 HG2 PRO 32 HG2 PRO 32 -5.431 4.566 -16.324 206 HG3 PRO 32 HG3 PRO 32 -7.061 4.530 -16.414 207 HD2 PRO 32 HD2 PRO 32 -5.850 5.766 -14.454 208 HD3 PRO 32 HD3 PRO 32 -7.308 5.066 -14.229 209 H LEU 33 H LEU 33 -4.133 0.522 -14.778 210 HA LEU 33 HA LEU 33 -1.607 1.879 -14.997 211 HB2 LEU 33 HB2 LEU 33 -2.263 -0.759 -14.106 212 HB3 LEU 33 HB3 LEU 33 -0.757 -0.486 -14.676 213 HG LEU 33 HG LEU 33 -0.672 -0.486 -12.389 214 HD11 LEU 33 HD11 LEU 33 0.264 1.695 -11.947 215 HD12 LEU 33 HD12 LEU 33 -0.404 2.250 -13.311 216 HD13 LEU 33 HD13 LEU 33 0.769 1.140 -13.380 217 HD21 LEU 33 HD21 LEU 33 -1.911 1.009 -11.002 218 HD22 LEU 33 HD22 LEU 33 -2.899 0.013 -11.806 219 HD23 LEU 33 HD23 LEU 33 -2.715 1.541 -12.300 220 H ASN 34 H ASN 34 -0.278 1.645 -16.785 221 HA ASN 34 HA ASN 34 -1.445 0.565 -19.106 222 HB2 ASN 34 HB2 ASN 34 0.094 2.476 -19.075 223 HB3 ASN 34 HB3 ASN 34 1.305 1.401 -18.861 224 HD21 ASN 34 HD21 ASN 34 1.517 1.992 -22.372 225 HD22 ASN 34 HD22 ASN 34 2.013 2.675 -20.859 226 H GLY 35 H GLY 35 -0.796 -1.315 -20.327 227 HA2 GLY 35 HA2 GLY 35 0.345 -3.270 -20.583 228 HA3 GLY 35 HA3 GLY 35 1.280 -2.929 -19.289 229 H TRP 36 H TRP 36 -1.999 -2.669 -18.746 230 HA TRP 36 HA TRP 36 -2.072 -4.449 -16.691 231 HB2 TRP 36 HB2 TRP 36 -3.710 -2.664 -17.265 232 HB3 TRP 36 HB3 TRP 36 -4.394 -3.741 -18.284 233 HD1 TRP 36 HD1 TRP 36 -6.260 -5.208 -17.283 234 HE1 TRP 36 HE1 TRP 36 -7.269 -5.632 -15.022 235 HE3 TRP 36 HE3 TRP 36 -2.782 -2.849 -14.587 236 HZ2 TRP 36 HZ2 TRP 36 -6.577 -4.892 -12.403 237 HZ3 TRP 36 HZ3 TRP 36 -3.028 -2.751 -12.206 238 HH2 TRP 36 HH2 TRP 36 -4.921 -3.748 -11.134 239 H ALA 37 H ALA 37 -2.645 -6.594 -16.340 240 HA ALA 37 HA ALA 37 -3.304 -8.079 -18.683 241 HB1 ALA 37 HB1 ALA 37 -0.889 -8.196 -18.530 242 HB2 ALA 37 HB2 ALA 37 -1.511 -9.672 -18.309 243 HB3 ALA 37 HB3 ALA 37 -1.010 -8.807 -17.038 244 H VAL 38 H VAL 38 -4.291 -10.096 -18.450 245 HA VAL 38 HA VAL 38 -5.101 -10.773 -15.768 246 HB VAL 38 HB VAL 38 -6.958 -10.774 -17.997 247 HG11 VAL 38 HG11 VAL 38 -8.646 -11.191 -16.347 248 HG12 VAL 38 HG12 VAL 38 -7.516 -11.222 -15.191 249 HG13 VAL 38 HG13 VAL 38 -7.546 -12.375 -16.324 250 HG21 VAL 38 HG21 VAL 38 -7.989 -8.848 -16.985 251 HG22 VAL 38 HG22 VAL 38 -6.461 -8.504 -17.388 252 HG23 VAL 38 HG23 VAL 38 -6.839 -8.824 -15.849 253 H GLN 39 H GLN 39 -4.995 -13.026 -15.349 254 HA GLN 39 HA GLN 39 -4.680 -14.673 -17.641 255 HB2 GLN 39 HB2 GLN 39 -2.669 -15.708 -16.736 256 HB3 GLN 39 HB3 GLN 39 -2.442 -14.133 -17.100 257 HG2 GLN 39 HG2 GLN 39 -2.651 -13.573 -14.814 258 HG3 GLN 39 HG3 GLN 39 -2.879 -15.149 -14.450 259 HE21 GLN 39 HE21 GLN 39 0.524 -15.082 -13.589 260 HE22 GLN 39 HE22 GLN 39 -1.086 -15.007 -12.955 261 H TRP 40 H TRP 40 -4.717 -17.028 -17.296 262 HA TRP 40 HA TRP 40 -5.559 -17.862 -14.726 263 HB2 TRP 40 HB2 TRP 40 -7.591 -18.890 -15.453 264 HB3 TRP 40 HB3 TRP 40 -7.652 -17.273 -15.677 265 HD1 TRP 40 HD1 TRP 40 -7.635 -20.413 -17.623 266 HE1 TRP 40 HE1 TRP 40 -8.265 -20.060 -20.026 267 HE3 TRP 40 HE3 TRP 40 -7.580 -15.428 -17.557 268 HZ2 TRP 40 HZ2 TRP 40 -8.662 -17.782 -21.632 269 HZ3 TRP 40 HZ3 TRP 40 -8.079 -14.234 -19.572 270 HH2 TRP 40 HH2 TRP 40 -8.607 -15.406 -21.590 271 H GLN 41 H GLN 41 -5.854 -20.292 -14.585 272 HA GLN 41 HA GLN 41 -3.761 -21.462 -16.135 273 HB2 GLN 41 HB2 GLN 41 -5.136 -22.492 -13.796 274 HB3 GLN 41 HB3 GLN 41 -3.883 -23.264 -14.505 275 HG2 GLN 41 HG2 GLN 41 -3.581 -20.654 -13.379 276 HG3 GLN 41 HG3 GLN 41 -3.355 -22.003 -12.486 277 HE21 GLN 41 HE21 GLN 41 -0.030 -20.988 -13.522 278 HE22 GLN 41 HE22 GLN 41 -1.285 -20.378 -12.496 279 HA PRO 42 HA PRO 42 -6.707 -23.994 -18.218 280 HB2 PRO 42 HB2 PRO 42 -5.170 -25.734 -19.484 281 HB3 PRO 42 HB3 PRO 42 -5.131 -24.175 -19.972 282 HG2 PRO 42 HG2 PRO 42 -3.287 -25.533 -18.281 283 HG3 PRO 42 HG3 PRO 42 -2.960 -24.462 -19.470 284 HD2 PRO 42 HD2 PRO 42 -2.995 -23.797 -16.903 285 HD3 PRO 42 HD3 PRO 42 -3.212 -22.709 -18.102 286 H GLY 43 H GLY 43 -8.056 -25.588 -17.662 287 HA2 GLY 43 HA2 GLY 43 -7.170 -27.214 -15.487 288 HA3 GLY 43 HA3 GLY 43 -8.705 -27.079 -16.027 289 H GLY 44 H GLY 44 -7.440 -29.551 -15.354 290 HA2 GLY 44 HA2 GLY 44 -6.620 -30.858 -17.662 291 HA3 GLY 44 HA3 GLY 44 -7.176 -31.585 -16.309 292 H GLY 45 H GLY 45 -7.690 -31.626 -19.427 293 HA2 GLY 45 HA2 GLY 45 -9.483 -32.499 -20.520 294 HA3 GLY 45 HA3 GLY 45 -10.369 -32.474 -19.148 295 H THR 46 H THR 46 -9.023 -29.499 -19.772 296 HA THR 46 HA THR 46 -11.282 -28.634 -21.314 297 HB THR 46 HB THR 46 -11.332 -28.062 -18.774 298 HG1 THR 46 HG1 THR 46 -12.261 -25.939 -20.040 299 HG21 THR 46 HG21 THR 46 -10.596 -25.820 -18.394 300 HG22 THR 46 HG22 THR 46 -10.009 -25.739 -19.898 301 HG23 THR 46 HG23 THR 46 -9.323 -26.724 -18.814 302 H THR 47 H THR 47 -10.959 -26.658 -22.601 303 HA THR 47 HA THR 47 -8.339 -25.573 -22.547 304 HB THR 47 HB THR 47 -8.087 -27.372 -24.167 305 HG1 THR 47 HG1 THR 47 -6.731 -26.236 -25.215 306 HG21 THR 47 HG21 THR 47 -9.204 -27.205 -26.276 307 HG22 THR 47 HG22 THR 47 -10.001 -25.892 -25.769 308 HG23 THR 47 HG23 THR 47 -10.314 -27.334 -25.108 309 H LEU 48 H LEU 48 -8.164 -23.536 -23.927 310 HA LEU 48 HA LEU 48 -10.725 -22.276 -23.977 311 HB2 LEU 48 HB2 LEU 48 -9.686 -20.249 -24.031 312 HB3 LEU 48 HB3 LEU 48 -8.906 -21.159 -22.921 313 HG LEU 48 HG LEU 48 -7.339 -19.913 -23.817 314 HD11 LEU 48 HD11 LEU 48 -5.829 -21.367 -24.984 315 HD12 LEU 48 HD12 LEU 48 -7.034 -22.422 -25.208 316 HD13 LEU 48 HD13 LEU 48 -6.499 -22.111 -23.714 317 HD21 LEU 48 HD21 LEU 48 -6.991 -19.570 -26.183 318 HD22 LEU 48 HD22 LEU 48 -8.451 -19.046 -25.726 319 HD23 LEU 48 HD23 LEU 48 -8.304 -20.463 -26.491 320 H GLY 49 H GLY 49 -11.602 -21.130 -25.805 321 HA2 GLY 49 HA2 GLY 49 -10.655 -22.266 -28.285 322 HA3 GLY 49 HA3 GLY 49 -12.171 -21.717 -28.024 323 H GLY 50 H GLY 50 -11.887 -19.255 -26.999 324 HA2 GLY 50 HA2 GLY 50 -10.023 -17.813 -28.595 325 HA3 GLY 50 HA3 GLY 50 -11.591 -17.541 -28.960 326 H VAL 51 H VAL 51 -9.981 -15.449 -28.149 327 HA VAL 51 HA VAL 51 -11.285 -14.750 -25.674 328 HB VAL 51 HB VAL 51 -8.508 -14.160 -26.230 329 HG11 VAL 51 HG11 VAL 51 -8.440 -13.018 -24.115 330 HG12 VAL 51 HG12 VAL 51 -10.028 -13.259 -23.931 331 HG13 VAL 51 HG13 VAL 51 -9.488 -12.288 -25.106 332 HG21 VAL 51 HG21 VAL 51 -8.032 -15.486 -24.274 333 HG22 VAL 51 HG22 VAL 51 -8.799 -16.383 -25.379 334 HG23 VAL 51 HG23 VAL 51 -9.609 -15.803 -24.105 335 H TRP 52 H TRP 52 -12.036 -12.550 -25.627 336 HA TRP 52 HA TRP 52 -11.431 -11.000 -27.969 337 HB2 TRP 52 HB2 TRP 52 -13.889 -10.337 -27.870 338 HB3 TRP 52 HB3 TRP 52 -13.445 -11.682 -28.684 339 HD1 TRP 52 HD1 TRP 52 -14.067 -14.043 -27.541 340 HE1 TRP 52 HE1 TRP 52 -15.826 -14.770 -25.907 341 HE3 TRP 52 HE3 TRP 52 -15.240 -9.509 -25.821 342 HZ2 TRP 52 HZ2 TRP 52 -17.539 -13.416 -24.141 343 HZ3 TRP 52 HZ3 TRP 52 -16.962 -9.304 -24.167 344 HH2 TRP 52 HH2 TRP 52 -18.105 -11.245 -23.347 345 H ASN 53 H ASN 53 -11.969 -8.688 -27.806 346 HA ASN 53 HA ASN 53 -11.718 -6.788 -26.744 347 HB2 ASN 53 HB2 ASN 53 -13.067 -8.089 -24.543 348 HB3 ASN 53 HB3 ASN 53 -12.748 -6.487 -24.530 349 HD21 ASN 53 HD21 ASN 53 -16.209 -6.729 -25.551 350 HD22 ASN 53 HD22 ASN 53 -15.273 -7.027 -24.125 351 H GLY 54 H GLY 54 -9.517 -8.469 -26.770 352 HA2 GLY 54 HA2 GLY 54 -7.828 -6.978 -25.148 353 HA3 GLY 54 HA3 GLY 54 -8.032 -8.452 -24.474 354 H SER 55 H SER 55 -5.495 -7.919 -25.163 355 HA SER 55 HA SER 55 -5.153 -9.301 -27.668 356 HB2 SER 55 HB2 SER 55 -4.056 -7.136 -27.599 357 HB3 SER 55 HB3 SER 55 -3.151 -7.649 -26.340 358 HG SER 55 HG SER 55 -1.841 -8.554 -27.617 359 H LEU 56 H LEU 56 -4.296 -11.353 -27.708 360 HA LEU 56 HA LEU 56 -3.767 -12.406 -25.136 361 HB2 LEU 56 HB2 LEU 56 -4.847 -13.428 -27.430 362 HB3 LEU 56 HB3 LEU 56 -3.554 -14.359 -27.075 363 HG LEU 56 HG LEU 56 -5.831 -13.986 -25.352 364 HD11 LEU 56 HD11 LEU 56 -6.282 -16.314 -25.869 365 HD12 LEU 56 HD12 LEU 56 -4.999 -16.341 -26.852 366 HD13 LEU 56 HD13 LEU 56 -6.288 -15.441 -27.230 367 HD21 LEU 56 HD21 LEU 56 -4.881 -15.621 -23.915 368 HD22 LEU 56 HD22 LEU 56 -3.909 -14.333 -24.018 369 HD23 LEU 56 HD23 LEU 56 -3.557 -15.678 -24.842 370 H THR 57 H THR 57 -1.899 -13.250 -24.313 371 HA THR 57 HA THR 57 0.239 -13.737 -26.171 372 HB THR 57 HB THR 57 1.835 -12.952 -24.417 373 HG1 THR 57 HG1 THR 57 0.182 -11.260 -23.298 374 HG21 THR 57 HG21 THR 57 1.614 -10.643 -25.028 375 HG22 THR 57 HG22 THR 57 0.110 -10.910 -25.560 376 HG23 THR 57 HG23 THR 57 1.371 -11.549 -26.346 377 H SER 58 H SER 58 1.785 -15.441 -25.379 378 HA SER 58 HA SER 58 0.316 -17.273 -23.735 379 HB2 SER 58 HB2 SER 58 2.574 -17.897 -25.487 380 HB3 SER 58 HB3 SER 58 1.604 -19.014 -24.796 381 HG SER 58 HG SER 58 1.299 -17.883 -27.080 382 H GLY 59 H GLY 59 1.268 -18.523 -22.027 383 HA2 GLY 59 HA2 GLY 59 3.706 -17.339 -21.004 384 HA3 GLY 59 HA3 GLY 59 2.567 -18.049 -20.073 385 H SER 60 H SER 60 5.321 -18.731 -19.985 386 HA SER 60 HA SER 60 5.853 -20.864 -21.641 387 HB2 SER 60 HB2 SER 60 7.144 -20.286 -19.074 388 HB3 SER 60 HB3 SER 60 7.823 -21.188 -20.254 389 HG SER 60 HG SER 60 8.680 -19.414 -20.842 390 H ASP 61 H ASP 61 4.178 -20.734 -18.710 391 HA ASP 61 HA ASP 61 4.463 -23.474 -18.128 392 HB2 ASP 61 HB2 ASP 61 2.728 -21.494 -16.913 393 HB3 ASP 61 HB3 ASP 61 2.901 -23.006 -16.319 394 H GLY 62 H GLY 62 3.057 -22.330 -20.607 395 HA2 GLY 62 HA2 GLY 62 1.464 -23.274 -21.932 396 HA3 GLY 62 HA3 GLY 62 1.052 -24.318 -20.746 397 H THR 63 H THR 63 1.167 -21.065 -19.925 398 HA THR 63 HA THR 63 -1.631 -21.114 -19.483 399 HB THR 63 HB THR 63 -1.132 -18.994 -18.180 400 HG1 THR 63 HG1 THR 63 1.477 -19.721 -18.736 401 HG21 THR 63 HG21 THR 63 -0.055 -20.153 -16.373 402 HG22 THR 63 HG22 THR 63 0.384 -21.342 -17.376 403 HG23 THR 63 HG23 THR 63 -1.176 -21.127 -17.011 404 H VAL 64 H VAL 64 -2.941 -19.051 -19.761 405 HA VAL 64 HA VAL 64 -2.067 -17.689 -22.125 406 HB VAL 64 HB VAL 64 -4.614 -17.204 -22.299 407 HG11 VAL 64 HG11 VAL 64 -4.800 -19.043 -23.834 408 HG12 VAL 64 HG12 VAL 64 -3.448 -19.691 -23.229 409 HG13 VAL 64 HG13 VAL 64 -3.382 -18.294 -24.040 410 HG21 VAL 64 HG21 VAL 64 -5.909 -19.081 -21.572 411 HG22 VAL 64 HG22 VAL 64 -5.207 -18.368 -20.302 412 HG23 VAL 64 HG23 VAL 64 -4.593 -19.738 -20.902 413 H THR 65 H THR 65 -1.798 -15.501 -22.061 414 HA THR 65 HA THR 65 -2.815 -14.194 -19.716 415 HB THR 65 HB THR 65 -0.249 -13.587 -20.983 416 HG1 THR 65 HG1 THR 65 -0.115 -14.444 -18.475 417 HG21 THR 65 HG21 THR 65 0.147 -12.151 -19.114 418 HG22 THR 65 HG22 THR 65 -1.308 -12.510 -18.506 419 HG23 THR 65 HG23 THR 65 -1.191 -11.654 -19.873 420 H VAL 66 H VAL 66 -4.369 -12.737 -20.224 421 HA VAL 66 HA VAL 66 -4.342 -11.596 -22.841 422 HB VAL 66 HB VAL 66 -6.392 -11.237 -20.808 423 HG11 VAL 66 HG11 VAL 66 -7.809 -10.567 -22.612 424 HG12 VAL 66 HG12 VAL 66 -6.584 -10.749 -23.653 425 HG13 VAL 66 HG13 VAL 66 -6.525 -9.588 -22.529 426 HG21 VAL 66 HG21 VAL 66 -7.616 -12.980 -21.892 427 HG22 VAL 66 HG22 VAL 66 -6.212 -13.556 -21.334 428 HG23 VAL 66 HG23 VAL 66 -6.382 -13.224 -22.907 429 H ARG 67 H ARG 67 -3.594 -9.489 -23.247 430 HA ARG 67 HA ARG 67 -3.437 -7.756 -20.990 431 HB2 ARG 67 HB2 ARG 67 -1.110 -7.293 -21.303 432 HB3 ARG 67 HB3 ARG 67 -1.315 -8.891 -21.035 433 HG2 ARG 67 HG2 ARG 67 -1.051 -9.337 -23.324 434 HG3 ARG 67 HG3 ARG 67 -0.937 -7.740 -23.644 435 HD2 ARG 67 HD2 ARG 67 0.967 -9.165 -22.010 436 HD3 ARG 67 HD3 ARG 67 1.221 -8.809 -23.583 437 HE ARG 67 HE ARG 67 0.694 -6.423 -22.438 438 HH11 ARG 67 HH11 ARG 67 2.255 -5.017 -21.688 439 HH12 ARG 67 HH12 ARG 67 3.831 -5.601 -21.267 440 HH21 ARG 67 HH21 ARG 67 3.147 -8.919 -22.052 441 HH22 ARG 67 HH22 ARG 67 4.334 -7.798 -21.472 442 H ASN 68 H ASN 68 -2.383 -5.548 -21.633 443 HA ASN 68 HA ASN 68 -2.574 -3.737 -22.865 444 HB2 ASN 68 HB2 ASN 68 -2.222 -5.538 -25.108 445 HB3 ASN 68 HB3 ASN 68 -2.112 -3.916 -25.264 446 HD21 ASN 68 HD21 ASN 68 1.329 -4.846 -25.117 447 HD22 ASN 68 HD22 ASN 68 0.007 -4.800 -26.234 448 H VAL 69 H VAL 69 -4.934 -4.244 -21.953 449 HA VAL 69 HA VAL 69 -6.945 -4.547 -23.810 450 HB VAL 69 HB VAL 69 -6.916 -3.445 -21.151 451 HG11 VAL 69 HG11 VAL 69 -9.264 -3.087 -21.165 452 HG12 VAL 69 HG12 VAL 69 -9.314 -3.425 -22.746 453 HG13 VAL 69 HG13 VAL 69 -8.541 -2.103 -22.225 454 HG21 VAL 69 HG21 VAL 69 -8.324 -5.348 -20.675 455 HG22 VAL 69 HG22 VAL 69 -6.954 -5.841 -21.378 456 HG23 VAL 69 HG23 VAL 69 -8.317 -5.746 -22.242 457 H ASP 70 H ASP 70 -7.714 -3.305 -25.395 458 HA ASP 70 HA ASP 70 -6.616 -0.734 -25.685 459 HB2 ASP 70 HB2 ASP 70 -7.621 -0.821 -27.888 460 HB3 ASP 70 HB3 ASP 70 -6.872 -2.241 -27.588 461 H HIS 71 H HIS 71 -9.666 -2.053 -24.915 462 HA HIS 71 HA HIS 71 -11.071 0.323 -25.461 463 HB2 HIS 71 HB2 HIS 71 -13.010 -0.957 -24.701 464 HB3 HIS 71 HB3 HIS 71 -12.184 -1.713 -25.889 465 HD1 HIS 71 HD1 HIS 71 -13.035 -1.974 -22.318 466 HD2 HIS 71 HD2 HIS 71 -10.957 -4.101 -25.127 467 HE1 HIS 71 HE1 HIS 71 -12.508 -4.206 -21.367 468 HE2 HIS 71 HE2 HIS 71 -11.244 -5.518 -23.046 469 H ASN 72 H ASN 72 -9.039 0.055 -23.214 470 HA ASN 72 HA ASN 72 -10.496 0.797 -20.949 471 HB2 ASN 72 HB2 ASN 72 -8.449 1.263 -19.938 472 HB3 ASN 72 HB3 ASN 72 -8.201 -0.040 -20.890 473 HD21 ASN 72 HD21 ASN 72 -5.732 2.907 -21.264 474 HD22 ASN 72 HD22 ASN 72 -6.580 2.379 -19.849 475 H ARG 73 H ARG 73 -9.687 2.314 -23.777 476 HA ARG 73 HA ARG 73 -9.716 4.965 -23.053 477 HB2 ARG 73 HB2 ARG 73 -9.119 4.139 -25.248 478 HB3 ARG 73 HB3 ARG 73 -10.689 3.781 -25.521 479 HG2 ARG 73 HG2 ARG 73 -11.233 6.061 -25.561 480 HG3 ARG 73 HG3 ARG 73 -9.693 6.458 -25.189 481 HD2 ARG 73 HD2 ARG 73 -8.930 5.675 -27.249 482 HD3 ARG 73 HD3 ARG 73 -10.395 5.046 -27.602 483 HE ARG 73 HE ARG 73 -10.719 7.752 -27.224 484 HH11 ARG 73 HH11 ARG 73 -9.229 5.561 -29.538 485 HH12 ARG 73 HH12 ARG 73 -9.426 6.663 -30.860 486 HH21 ARG 73 HH21 ARG 73 -10.966 9.138 -28.969 487 HH22 ARG 73 HH22 ARG 73 -10.402 8.672 -30.539 488 H VAL 74 H VAL 74 -12.253 2.724 -23.274 489 HA VAL 74 HA VAL 74 -14.242 4.755 -23.381 490 HB VAL 74 HB VAL 74 -14.675 1.867 -23.356 491 HG11 VAL 74 HG11 VAL 74 -16.847 2.324 -24.247 492 HG12 VAL 74 HG12 VAL 74 -16.553 3.912 -24.164 493 HG13 VAL 74 HG13 VAL 74 -16.675 3.040 -22.808 494 HG21 VAL 74 HG21 VAL 74 -14.877 1.999 -25.763 495 HG22 VAL 74 HG22 VAL 74 -13.402 2.483 -25.311 496 HG23 VAL 74 HG23 VAL 74 -14.526 3.577 -25.708 497 H VAL 75 H VAL 75 -12.935 2.450 -21.213 498 HA VAL 75 HA VAL 75 -15.002 2.601 -19.335 499 HB VAL 75 HB VAL 75 -12.320 1.507 -18.975 500 HG11 VAL 75 HG11 VAL 75 -13.195 0.307 -17.092 501 HG12 VAL 75 HG12 VAL 75 -14.627 1.033 -17.287 502 HG13 VAL 75 HG13 VAL 75 -13.336 1.899 -16.843 503 HG21 VAL 75 HG21 VAL 75 -13.322 -0.642 -19.415 504 HG22 VAL 75 HG22 VAL 75 -13.533 0.330 -20.690 505 HG23 VAL 75 HG23 VAL 75 -14.753 0.070 -19.660 506 HA PRO 76 HA PRO 76 -13.529 6.233 -17.402 507 HB2 PRO 76 HB2 PRO 76 -15.055 6.319 -15.201 508 HB3 PRO 76 HB3 PRO 76 -15.742 6.636 -16.648 509 HG2 PRO 76 HG2 PRO 76 -15.705 4.159 -15.241 510 HG3 PRO 76 HG3 PRO 76 -16.991 4.907 -15.913 511 HD2 PRO 76 HD2 PRO 76 -15.819 2.999 -17.198 512 HD3 PRO 76 HD3 PRO 76 -16.394 4.285 -18.023 513 HA PRO 77 HA PRO 77 -10.621 5.114 -14.419 514 HB2 PRO 77 HB2 PRO 77 -10.252 7.318 -12.975 515 HB3 PRO 77 HB3 PRO 77 -9.752 7.312 -14.530 516 HG2 PRO 77 HG2 PRO 77 -12.191 8.345 -13.484 517 HG3 PRO 77 HG3 PRO 77 -11.158 9.072 -14.519 518 HD2 PRO 77 HD2 PRO 77 -13.286 7.878 -15.426 519 HD3 PRO 77 HD3 PRO 77 -11.905 7.861 -16.298 520 H ASP 78 H ASP 78 -10.112 5.058 -12.042 521 HA ASP 78 HA ASP 78 -10.740 3.996 -10.259 522 HB2 ASP 78 HB2 ASP 78 -12.244 5.235 -8.776 523 HB3 ASP 78 HB3 ASP 78 -11.085 6.164 -9.454 524 H GLY 79 H GLY 79 -12.075 2.908 -12.520 525 HA2 GLY 79 HA2 GLY 79 -14.238 1.591 -11.123 526 HA3 GLY 79 HA3 GLY 79 -14.360 1.997 -12.701 527 H SER 80 H SER 80 -14.943 -0.342 -12.850 528 HA SER 80 HA SER 80 -12.594 -1.990 -12.861 529 HB2 SER 80 HB2 SER 80 -14.254 -3.849 -12.939 530 HB3 SER 80 HB3 SER 80 -14.386 -2.940 -11.589 531 HG SER 80 HG SER 80 -15.887 -2.485 -13.849 532 H VAL 81 H VAL 81 -12.174 -3.491 -14.624 533 HA VAL 81 HA VAL 81 -13.365 -2.602 -17.091 534 HB VAL 81 HB VAL 81 -11.339 -3.367 -18.217 535 HG11 VAL 81 HG11 VAL 81 -9.956 -1.519 -17.562 536 HG12 VAL 81 HG12 VAL 81 -10.855 -1.312 -16.235 537 HG13 VAL 81 HG13 VAL 81 -11.495 -1.042 -17.695 538 HG21 VAL 81 HG21 VAL 81 -9.393 -3.871 -16.898 539 HG22 VAL 81 HG22 VAL 81 -10.564 -4.942 -16.588 540 HG23 VAL 81 HG23 VAL 81 -10.271 -3.741 -15.546 541 H THR 82 H THR 82 -13.754 -4.324 -18.768 542 HA THR 82 HA THR 82 -13.738 -6.941 -17.660 543 HB THR 82 HB THR 82 -15.981 -6.111 -17.183 544 HG1 THR 82 HG1 THR 82 -17.138 -7.831 -18.145 545 HG21 THR 82 HG21 THR 82 -17.489 -5.669 -18.990 546 HG22 THR 82 HG22 THR 82 -16.310 -5.944 -20.062 547 HG23 THR 82 HG23 THR 82 -16.237 -4.651 -19.095 548 H PHE 83 H PHE 83 -13.990 -8.710 -19.159 549 HA PHE 83 HA PHE 83 -14.073 -8.176 -21.952 550 HB2 PHE 83 HB2 PHE 83 -12.002 -8.939 -22.559 551 HB3 PHE 83 HB3 PHE 83 -11.756 -7.765 -21.450 552 HD1 PHE 83 HD1 PHE 83 -11.075 -11.068 -22.274 553 HD2 PHE 83 HD2 PHE 83 -11.232 -8.464 -19.071 554 HE1 PHE 83 HE1 PHE 83 -9.716 -12.558 -21.003 555 HE2 PHE 83 HE2 PHE 83 -9.869 -9.948 -17.799 556 HZ PHE 83 HZ PHE 83 -9.068 -11.976 -18.776 557 H GLY 84 H GLY 84 -13.578 -10.575 -23.031 558 HA2 GLY 84 HA2 GLY 84 -14.391 -12.593 -21.189 559 HA3 GLY 84 HA3 GLY 84 -15.456 -12.268 -22.384 560 H PHE 85 H PHE 85 -14.843 -14.745 -22.276 561 HA PHE 85 HA PHE 85 -13.187 -15.225 -24.544 562 HB2 PHE 85 HB2 PHE 85 -11.821 -16.842 -23.431 563 HB3 PHE 85 HB3 PHE 85 -11.621 -15.371 -22.748 564 HD1 PHE 85 HD1 PHE 85 -12.400 -14.921 -20.494 565 HD2 PHE 85 HD2 PHE 85 -12.908 -18.647 -22.207 566 HE1 PHE 85 HE1 PHE 85 -12.934 -15.834 -18.352 567 HE2 PHE 85 HE2 PHE 85 -13.464 -19.560 -20.074 568 HZ PHE 85 HZ PHE 85 -13.452 -18.158 -18.135 569 H THR 86 H THR 86 -13.209 -17.687 -25.098 570 HA THR 86 HA THR 86 -15.584 -18.921 -24.036 571 HB THR 86 HB THR 86 -16.251 -18.253 -26.206 572 HG1 THR 86 HG1 THR 86 -17.330 -20.000 -26.126 573 HG21 THR 86 HG21 THR 86 -15.107 -19.068 -28.148 574 HG22 THR 86 HG22 THR 86 -14.018 -19.814 -27.214 575 HG23 THR 86 HG23 THR 86 -14.070 -18.198 -27.263 576 H ALA 87 H ALA 87 -15.517 -21.246 -23.881 577 HA ALA 87 HA ALA 87 -12.882 -22.361 -24.187 578 HB1 ALA 87 HB1 ALA 87 -13.022 -21.669 -21.893 579 HB2 ALA 87 HB2 ALA 87 -12.971 -23.285 -21.955 580 HB3 ALA 87 HB3 ALA 87 -14.378 -22.529 -21.703 581 H THR 88 H THR 88 -12.789 -24.718 -24.193 582 HA THR 88 HA THR 88 -15.346 -25.921 -24.661 583 HB THR 88 HB THR 88 -14.045 -27.366 -26.374 584 HG1 THR 88 HG1 THR 88 -12.145 -25.979 -25.636 585 HG21 THR 88 HG21 THR 88 -14.652 -25.849 -28.124 586 HG22 THR 88 HG22 THR 88 -14.804 -24.647 -27.054 587 HG23 THR 88 HG23 THR 88 -15.846 -25.883 -27.034 588 H SER 89 H SER 89 -15.494 -28.260 -24.290 589 HA SER 89 HA SER 89 -13.572 -29.049 -22.307 590 HB2 SER 89 HB2 SER 89 -15.752 -29.020 -21.372 591 HB3 SER 89 HB3 SER 89 -16.349 -29.884 -22.623 592 HG SER 89 HG SER 89 -15.283 -30.746 -20.388 593 H THR 90 H THR 90 -12.558 -31.069 -22.331 594 HA THR 90 HA THR 90 -13.098 -32.646 -24.666 595 HB THR 90 HB THR 90 -10.730 -33.360 -24.608 596 HG1 THR 90 HG1 THR 90 -10.808 -32.284 -22.289 597 HG21 THR 90 HG21 THR 90 -9.837 -31.314 -25.497 598 HG22 THR 90 HG22 THR 90 -11.069 -30.481 -24.862 599 HG23 THR 90 HG23 THR 90 -11.333 -31.516 -26.076 600 H GLY 91 H GLY 91 -13.855 -32.598 -21.670 601 HA2 GLY 91 HA2 GLY 91 -14.416 -35.193 -21.304 602 HA3 GLY 91 HA3 GLY 91 -12.898 -35.063 -20.715 603 H ASN 92 H ASN 92 -13.319 -32.365 -19.656 604 HA ASN 92 HA ASN 92 -14.858 -33.165 -17.363 605 HB2 ASN 92 HB2 ASN 92 -12.465 -31.667 -17.589 606 HB3 ASN 92 HB3 ASN 92 -13.498 -31.106 -16.456 607 HD21 ASN 92 HD21 ASN 92 -11.032 -33.767 -15.253 608 HD22 ASN 92 HD22 ASN 92 -10.802 -32.483 -16.392 609 H ASP 93 H ASP 93 -16.845 -32.321 -17.163 610 HA ASP 93 HA ASP 93 -17.468 -30.021 -18.681 611 HB2 ASP 93 HB2 ASP 93 -19.165 -31.739 -17.067 612 HB3 ASP 93 HB3 ASP 93 -19.768 -30.503 -17.947 613 H PHE 94 H PHE 94 -16.092 -30.265 -15.857 614 HA PHE 94 HA PHE 94 -17.620 -28.158 -14.632 615 HB2 PHE 94 HB2 PHE 94 -15.867 -30.039 -13.286 616 HB3 PHE 94 HB3 PHE 94 -16.780 -28.925 -12.518 617 HD1 PHE 94 HD1 PHE 94 -19.359 -29.124 -12.956 618 HD2 PHE 94 HD2 PHE 94 -16.644 -32.205 -13.400 619 HE1 PHE 94 HE1 PHE 94 -21.137 -30.707 -12.799 620 HE2 PHE 94 HE2 PHE 94 -18.418 -33.799 -13.238 621 HZ PHE 94 HZ PHE 94 -20.672 -33.049 -12.930 622 HA PRO 95 HA PRO 95 -14.038 -25.644 -14.867 623 HB2 PRO 95 HB2 PRO 95 -14.506 -23.789 -13.023 624 HB3 PRO 95 HB3 PRO 95 -15.417 -23.785 -14.378 625 HG2 PRO 95 HG2 PRO 95 -16.059 -24.905 -11.844 626 HG3 PRO 95 HG3 PRO 95 -16.994 -23.954 -12.787 627 HD2 PRO 95 HD2 PRO 95 -17.307 -26.539 -12.797 628 HD3 PRO 95 HD3 PRO 95 -17.557 -25.672 -14.159 629 H VAL 96 H VAL 96 -12.020 -25.210 -13.916 630 HA VAL 96 HA VAL 96 -11.651 -26.881 -11.623 631 HB VAL 96 HB VAL 96 -9.725 -26.546 -13.797 632 HG11 VAL 96 HG11 VAL 96 -8.420 -28.266 -12.739 633 HG12 VAL 96 HG12 VAL 96 -9.483 -28.331 -11.522 634 HG13 VAL 96 HG13 VAL 96 -8.582 -27.006 -11.739 635 HG21 VAL 96 HG21 VAL 96 -10.228 -28.815 -14.407 636 HG22 VAL 96 HG22 VAL 96 -11.566 -27.911 -14.495 637 HG23 VAL 96 HG23 VAL 96 -11.334 -28.891 -13.230 638 H ASP 97 H ASP 97 -10.086 -24.254 -13.352 639 HA ASP 97 HA ASP 97 -8.760 -23.588 -10.911 640 HB2 ASP 97 HB2 ASP 97 -8.040 -22.940 -13.657 641 HB3 ASP 97 HB3 ASP 97 -7.166 -22.399 -12.388 642 H SER 98 H SER 98 -8.259 -21.412 -10.280 643 HA SER 98 HA SER 98 -10.479 -19.698 -10.765 644 HB2 SER 98 HB2 SER 98 -8.244 -19.316 -8.941 645 HB3 SER 98 HB3 SER 98 -9.564 -18.355 -8.974 646 HG SER 98 HG SER 98 -10.738 -20.382 -8.573 647 H ILE 99 H ILE 99 -10.205 -17.391 -11.306 648 HA ILE 99 HA ILE 99 -8.002 -17.049 -13.101 649 HB ILE 99 HB ILE 99 -9.221 -15.448 -14.289 650 HG12 ILE 99 HG12 ILE 99 -10.148 -14.248 -12.506 651 HG13 ILE 99 HG13 ILE 99 -11.263 -14.554 -13.660 652 HG21 ILE 99 HG21 ILE 99 -11.165 -16.698 -14.976 653 HG22 ILE 99 HG22 ILE 99 -11.013 -17.645 -13.674 654 HG23 ILE 99 HG23 ILE 99 -9.885 -17.675 -14.832 655 HD11 ILE 99 HD11 ILE 99 -12.229 -14.808 -11.503 656 HD12 ILE 99 HD12 ILE 99 -11.129 -15.931 -11.124 657 HD13 ILE 99 HD13 ILE 99 -12.233 -16.234 -12.266 658 H GLY 100 H GLY 100 -6.860 -14.914 -13.211 659 HA2 GLY 100 HA2 GLY 100 -7.240 -13.225 -10.943 660 HA3 GLY 100 HA3 GLY 100 -5.808 -14.009 -10.981 661 H CYS 101 H CYS 101 -5.401 -11.461 -10.901 662 HA CYS 101 HA CYS 101 -4.790 -10.710 -13.602 663 HB2 CYS 101 HB2 CYS 101 -5.574 -8.483 -13.123 664 HB3 CYS 101 HB3 CYS 101 -6.753 -9.605 -13.259 665 H VAL 102 H VAL 102 -3.142 -9.097 -13.873 666 HA VAL 102 HA VAL 102 -1.568 -8.659 -11.552 667 HB VAL 102 HB VAL 102 0.483 -9.382 -12.706 668 HG11 VAL 102 HG11 VAL 102 0.136 -11.746 -12.415 669 HG12 VAL 102 HG12 VAL 102 -1.463 -11.506 -12.361 670 HG13 VAL 102 HG13 VAL 102 -0.519 -10.933 -11.180 671 HG21 VAL 102 HG21 VAL 102 0.302 -10.720 -14.679 672 HG22 VAL 102 HG22 VAL 102 -0.257 -9.229 -14.960 673 HG23 VAL 102 HG23 VAL 102 -1.291 -10.449 -14.722 674 H ALA 103 H ALA 103 0.267 -7.078 -11.915 675 HA ALA 103 HA ALA 103 -0.241 -5.325 -14.176 676 HB1 ALA 103 HB1 ALA 103 -0.845 -4.180 -12.185 677 HB2 ALA 103 HB2 ALA 103 0.486 -3.490 -12.790 678 HB3 ALA 103 HB3 ALA 103 0.599 -4.499 -11.531 679 HA PRO 104 HA PRO 104 3.966 -6.220 -14.970 680 HB2 PRO 104 HB2 PRO 104 4.742 -4.264 -16.584 681 HB3 PRO 104 HB3 PRO 104 3.601 -5.299 -17.127 682 HG2 PRO 104 HG2 PRO 104 3.212 -2.724 -15.965 683 HG3 PRO 104 HG3 PRO 104 2.533 -3.320 -17.325 684 HD2 PRO 104 HD2 PRO 104 1.235 -3.345 -15.054 685 HD3 PRO 104 HD3 PRO 104 0.991 -4.513 -16.169 Start of MODEL 3 1 H1 HIS 1 H1 HIS 1 0.434 -12.786 -3.754 2 H2 HIS 1 H2 HIS 1 0.243 -11.216 -3.418 3 H3 HIS 1 H3 HIS 1 0.120 -11.737 -4.944 4 HA HIS 1 HA HIS 1 -1.809 -12.937 -4.403 5 HB2 HIS 1 HB2 HIS 1 -1.411 -11.860 -1.743 6 HB3 HIS 1 HB3 HIS 1 -2.833 -12.527 -2.193 7 HD1 HIS 1 HD1 HIS 1 0.110 -13.358 -0.452 8 HD2 HIS 1 HD2 HIS 1 -2.377 -15.367 -3.011 9 HE1 HIS 1 HE1 HIS 1 0.495 -15.796 -0.162 10 HE2 HIS 1 HE2 HIS 1 -0.992 -17.034 -1.700 11 H THR 2 H THR 2 -2.781 -11.700 -5.960 12 HA THR 2 HA THR 2 -3.631 -9.924 -6.918 13 HB THR 2 HB THR 2 -5.255 -8.602 -5.799 14 HG1 THR 2 HG1 THR 2 -4.491 -7.780 -4.058 15 HG21 THR 2 HG21 THR 2 -6.527 -10.299 -4.645 16 HG22 THR 2 HG22 THR 2 -5.210 -11.231 -4.536 17 HG23 THR 2 HG23 THR 2 -5.886 -10.952 -5.978 18 H GLY 3 H GLY 3 -3.905 -7.223 -6.568 19 HA2 GLY 3 HA2 GLY 3 -1.642 -6.084 -5.371 20 HA3 GLY 3 HA3 GLY 3 -1.432 -6.198 -6.987 21 H SER 4 H SER 4 -2.013 -4.504 -8.186 22 HA SER 4 HA SER 4 -3.441 -2.411 -7.031 23 HB2 SER 4 HB2 SER 4 -2.887 -2.662 -9.881 24 HB3 SER 4 HB3 SER 4 -3.053 -1.259 -9.061 25 HG SER 4 HG SER 4 -1.161 -2.213 -7.831 26 H CYS 5 H CYS 5 -4.383 -5.151 -8.732 27 HA CYS 5 HA CYS 5 -7.058 -4.154 -8.878 28 HB2 CYS 5 HB2 CYS 5 -7.285 -5.476 -10.939 29 HB3 CYS 5 HB3 CYS 5 -6.548 -4.021 -11.029 30 H MET 6 H MET 6 -8.774 -5.777 -9.138 31 HA MET 6 HA MET 6 -8.084 -8.422 -8.172 32 HB2 MET 6 HB2 MET 6 -10.188 -6.779 -7.108 33 HB3 MET 6 HB3 MET 6 -10.100 -8.386 -6.833 34 HG2 MET 6 HG2 MET 6 -8.031 -8.078 -5.795 35 HG3 MET 6 HG3 MET 6 -8.161 -6.468 -6.038 36 HE1 MET 6 HE1 MET 6 -8.613 -6.924 -2.174 37 HE2 MET 6 HE2 MET 6 -7.684 -6.224 -3.298 38 HE3 MET 6 HE3 MET 6 -7.677 -7.832 -3.130 39 H ALA 7 H ALA 7 -9.621 -10.102 -8.906 40 HA ALA 7 HA ALA 7 -11.049 -9.149 -11.235 41 HB1 ALA 7 HB1 ALA 7 -9.020 -10.316 -11.910 42 HB2 ALA 7 HB2 ALA 7 -10.307 -11.153 -12.418 43 HB3 ALA 7 HB3 ALA 7 -9.502 -11.629 -11.099 44 H VAL 8 H VAL 8 -12.914 -10.191 -11.934 45 HA VAL 8 HA VAL 8 -14.111 -12.076 -10.095 46 HB VAL 8 HB VAL 8 -15.553 -9.889 -11.280 47 HG11 VAL 8 HG11 VAL 8 -17.403 -10.584 -9.893 48 HG12 VAL 8 HG12 VAL 8 -16.529 -11.836 -9.360 49 HG13 VAL 8 HG13 VAL 8 -16.987 -11.771 -10.909 50 HG21 VAL 8 HG21 VAL 8 -15.707 -8.949 -9.066 51 HG22 VAL 8 HG22 VAL 8 -14.161 -9.043 -9.532 52 HG23 VAL 8 HG23 VAL 8 -14.762 -10.134 -8.501 53 H TYR 9 H TYR 9 -15.431 -13.725 -11.115 54 HA TYR 9 HA TYR 9 -15.396 -13.571 -13.970 55 HB2 TYR 9 HB2 TYR 9 -13.669 -15.077 -13.529 56 HB3 TYR 9 HB3 TYR 9 -14.543 -15.831 -12.374 57 HD1 TYR 9 HD1 TYR 9 -15.585 -17.887 -12.900 58 HD2 TYR 9 HD2 TYR 9 -14.610 -15.291 -15.977 59 HE1 TYR 9 HE1 TYR 9 -16.302 -19.504 -14.502 60 HE2 TYR 9 HE2 TYR 9 -15.327 -16.911 -17.561 61 HH TYR 9 HH TYR 9 -16.350 -20.126 -16.669 62 H SER 10 H SER 10 -17.206 -14.205 -15.082 63 HA SER 10 HA SER 10 -19.081 -15.857 -13.667 64 HB2 SER 10 HB2 SER 10 -20.927 -14.497 -14.545 65 HB3 SER 10 HB3 SER 10 -20.008 -13.678 -13.472 66 HG SER 10 HG SER 10 -19.704 -13.523 -16.203 67 H VAL 11 H VAL 11 -20.403 -17.253 -14.980 68 HA VAL 11 HA VAL 11 -19.271 -17.796 -17.509 69 HB VAL 11 HB VAL 11 -21.589 -19.046 -16.279 70 HG11 VAL 11 HG11 VAL 11 -21.338 -20.813 -17.870 71 HG12 VAL 11 HG12 VAL 11 -20.131 -20.008 -18.583 72 HG13 VAL 11 HG13 VAL 11 -21.636 -19.419 -18.632 73 HG21 VAL 11 HG21 VAL 11 -20.087 -20.843 -15.702 74 HG22 VAL 11 HG22 VAL 11 -19.581 -19.466 -15.022 75 HG23 VAL 11 HG23 VAL 11 -18.854 -20.025 -16.354 76 H GLU 12 H GLU 12 -20.061 -17.162 -19.535 77 HA GLU 12 HA GLU 12 -22.188 -15.303 -19.580 78 HB2 GLU 12 HB2 GLU 12 -20.284 -15.043 -21.004 79 HB3 GLU 12 HB3 GLU 12 -20.673 -16.431 -21.773 80 HG2 GLU 12 HG2 GLU 12 -21.381 -14.866 -23.218 81 HG3 GLU 12 HG3 GLU 12 -22.755 -15.244 -22.421 82 H ASN 13 H ASN 13 -21.591 -18.312 -21.259 83 HA ASN 13 HA ASN 13 -24.210 -19.238 -20.891 84 HB2 ASN 13 HB2 ASN 13 -24.521 -17.723 -22.776 85 HB3 ASN 13 HB3 ASN 13 -23.485 -18.646 -23.637 86 HD21 ASN 13 HD21 ASN 13 -26.247 -20.237 -24.999 87 HD22 ASN 13 HD22 ASN 13 -24.939 -19.140 -25.292 88 H SER 14 H SER 14 -24.533 -21.472 -21.790 89 HA SER 14 HA SER 14 -22.084 -22.670 -22.676 90 HB2 SER 14 HB2 SER 14 -22.506 -24.610 -21.219 91 HB3 SER 14 HB3 SER 14 -22.222 -23.255 -20.352 92 HG SER 14 HG SER 14 -24.791 -23.845 -21.018 93 H TRP 15 H TRP 15 -22.285 -24.594 -23.982 94 HA TRP 15 HA TRP 15 -24.918 -25.402 -24.715 95 HB2 TRP 15 HB2 TRP 15 -24.544 -24.979 -27.079 96 HB3 TRP 15 HB3 TRP 15 -24.669 -23.600 -26.213 97 HD1 TRP 15 HD1 TRP 15 -22.184 -25.501 -28.190 98 HE1 TRP 15 HE1 TRP 15 -20.078 -24.201 -28.607 99 HE3 TRP 15 HE3 TRP 15 -23.214 -21.631 -25.212 100 HZ2 TRP 15 HZ2 TRP 15 -19.054 -21.771 -27.662 101 HZ3 TRP 15 HZ3 TRP 15 -21.611 -19.857 -25.012 102 HH2 TRP 15 HH2 TRP 15 -19.548 -19.935 -26.232 103 H SER 16 H SER 16 -24.735 -27.238 -26.500 104 HA SER 16 HA SER 16 -22.903 -29.085 -25.585 105 HB2 SER 16 HB2 SER 16 -23.474 -30.249 -27.777 106 HB3 SER 16 HB3 SER 16 -24.665 -30.068 -26.675 107 HG SER 16 HG SER 16 -24.242 -28.649 -28.974 108 H GLY 17 H GLY 17 -20.743 -29.120 -25.791 109 HA2 GLY 17 HA2 GLY 17 -18.919 -29.345 -27.220 110 HA3 GLY 17 HA3 GLY 17 -19.662 -28.442 -28.360 111 H GLY 18 H GLY 18 -20.083 -26.688 -25.643 112 HA2 GLY 18 HA2 GLY 18 -17.622 -25.724 -25.051 113 HA3 GLY 18 HA3 GLY 18 -18.092 -24.873 -26.363 114 H PHE 19 H PHE 19 -17.512 -23.310 -24.404 115 HA PHE 19 HA PHE 19 -20.027 -22.263 -23.622 116 HB2 PHE 19 HB2 PHE 19 -19.622 -22.250 -21.294 117 HB3 PHE 19 HB3 PHE 19 -19.503 -23.791 -21.820 118 HD1 PHE 19 HD1 PHE 19 -17.354 -24.932 -21.868 119 HD2 PHE 19 HD2 PHE 19 -17.697 -21.070 -20.438 120 HE1 PHE 19 HE1 PHE 19 -15.200 -25.120 -20.844 121 HE2 PHE 19 HE2 PHE 19 -15.551 -21.249 -19.418 122 HZ PHE 19 HZ PHE 19 -14.309 -23.284 -19.595 123 H GLN 20 H GLN 20 -19.809 -20.115 -22.454 124 HA GLN 20 HA GLN 20 -17.347 -18.825 -23.216 125 HB2 GLN 20 HB2 GLN 20 -19.939 -18.149 -24.028 126 HB3 GLN 20 HB3 GLN 20 -19.144 -16.869 -23.396 127 HG2 GLN 20 HG2 GLN 20 -17.538 -16.944 -24.997 128 HG3 GLN 20 HG3 GLN 20 -17.967 -18.451 -25.461 129 HE21 GLN 20 HE21 GLN 20 -19.544 -17.099 -28.214 130 HE22 GLN 20 HE22 GLN 20 -18.315 -18.162 -27.616 131 H GLY 21 H GLY 21 -16.681 -16.977 -21.963 132 HA2 GLY 21 HA2 GLY 21 -18.051 -16.701 -19.453 133 HA3 GLY 21 HA3 GLY 21 -16.491 -17.184 -19.410 134 H SER 22 H SER 22 -17.558 -14.828 -18.196 135 HA SER 22 HA SER 22 -16.110 -12.834 -19.704 136 HB2 SER 22 HB2 SER 22 -17.673 -11.176 -18.775 137 HB3 SER 22 HB3 SER 22 -18.422 -12.246 -19.756 138 HG SER 22 HG SER 22 -19.682 -12.569 -18.174 139 H VAL 23 H VAL 23 -14.715 -11.434 -18.607 140 HA VAL 23 HA VAL 23 -14.402 -12.038 -15.829 141 HB VAL 23 HB VAL 23 -11.901 -11.473 -16.450 142 HG11 VAL 23 HG11 VAL 23 -11.441 -13.832 -16.316 143 HG12 VAL 23 HG12 VAL 23 -13.011 -14.152 -16.531 144 HG13 VAL 23 HG13 VAL 23 -12.514 -13.410 -15.183 145 HG21 VAL 23 HG21 VAL 23 -11.318 -12.601 -18.487 146 HG22 VAL 23 HG22 VAL 23 -12.318 -11.369 -18.798 147 HG23 VAL 23 HG23 VAL 23 -12.883 -12.884 -18.781 148 H GLU 24 H GLU 24 -14.548 -10.287 -14.524 149 HA GLU 24 HA GLU 24 -14.087 -7.711 -15.716 150 HB2 GLU 24 HB2 GLU 24 -16.206 -8.137 -14.560 151 HB3 GLU 24 HB3 GLU 24 -15.358 -8.187 -13.165 152 HG2 GLU 24 HG2 GLU 24 -14.656 -5.919 -13.621 153 HG3 GLU 24 HG3 GLU 24 -15.729 -5.902 -14.852 154 H VAL 25 H VAL 25 -12.570 -6.249 -14.932 155 HA VAL 25 HA VAL 25 -10.965 -7.190 -12.735 156 HB VAL 25 HB VAL 25 -9.871 -5.838 -15.054 157 HG11 VAL 25 HG11 VAL 25 -7.713 -6.258 -14.074 158 HG12 VAL 25 HG12 VAL 25 -8.424 -6.917 -12.780 159 HG13 VAL 25 HG13 VAL 25 -8.599 -5.338 -13.082 160 HG21 VAL 25 HG21 VAL 25 -8.823 -7.918 -15.600 161 HG22 VAL 25 HG22 VAL 25 -10.431 -8.085 -15.606 162 HG23 VAL 25 HG23 VAL 25 -9.567 -8.625 -14.351 163 H MET 26 H MET 26 -11.362 -5.841 -11.042 164 HA MET 26 HA MET 26 -12.066 -3.130 -11.625 165 HB2 MET 26 HB2 MET 26 -12.937 -3.008 -9.460 166 HB3 MET 26 HB3 MET 26 -13.463 -4.402 -10.127 167 HG2 MET 26 HG2 MET 26 -11.863 -5.590 -8.964 168 HG3 MET 26 HG3 MET 26 -11.270 -4.205 -8.334 169 HE1 MET 26 HE1 MET 26 -14.019 -3.017 -5.898 170 HE2 MET 26 HE2 MET 26 -13.716 -2.507 -7.402 171 HE3 MET 26 HE3 MET 26 -12.495 -2.764 -6.374 172 H ASN 27 H ASN 27 -11.013 -1.288 -10.736 173 HA ASN 27 HA ASN 27 -8.312 -1.783 -10.040 174 HB2 ASN 27 HB2 ASN 27 -8.898 0.104 -11.432 175 HB3 ASN 27 HB3 ASN 27 -9.600 0.798 -10.130 176 HD21 ASN 27 HD21 ASN 27 -6.585 2.540 -9.815 177 HD22 ASN 27 HD22 ASN 27 -8.225 2.646 -10.364 178 H HIS 28 H HIS 28 -7.784 -2.380 -7.991 179 HA HIS 28 HA HIS 28 -9.494 -1.541 -5.867 180 HB2 HIS 28 HB2 HIS 28 -8.829 -3.836 -5.924 181 HB3 HIS 28 HB3 HIS 28 -7.265 -3.386 -5.781 182 HD1 HIS 28 HD1 HIS 28 -10.410 -3.581 -3.792 183 HD2 HIS 28 HD2 HIS 28 -6.404 -2.988 -3.196 184 HE1 HIS 28 HE1 HIS 28 -9.981 -3.553 -1.348 185 HE2 HIS 28 HE2 HIS 28 -7.563 -3.203 -0.957 186 H GLY 29 H GLY 29 -6.412 -0.922 -7.169 187 HA2 GLY 29 HA2 GLY 29 -5.459 0.452 -4.857 188 HA3 GLY 29 HA3 GLY 29 -4.646 0.238 -6.257 189 H THR 30 H THR 30 -4.354 2.668 -5.244 190 HA THR 30 HA THR 30 -6.325 4.369 -6.340 191 HB THR 30 HB THR 30 -5.161 5.059 -4.317 192 HG1 THR 30 HG1 THR 30 -5.227 6.670 -6.504 193 HG21 THR 30 HG21 THR 30 -2.893 5.818 -4.454 194 HG22 THR 30 HG22 THR 30 -2.830 5.405 -6.016 195 HG23 THR 30 HG23 THR 30 -2.946 4.259 -4.881 196 H GLU 31 H GLU 31 -3.952 2.642 -7.646 197 HA GLU 31 HA GLU 31 -3.113 4.633 -9.524 198 HB2 GLU 31 HB2 GLU 31 -2.012 1.978 -9.096 199 HB3 GLU 31 HB3 GLU 31 -1.330 3.107 -10.060 200 HG2 GLU 31 HG2 GLU 31 -0.836 4.433 -8.185 201 HG3 GLU 31 HG3 GLU 31 -1.562 3.344 -7.209 202 HA PRO 32 HA PRO 32 -5.504 2.392 -12.507 203 HB2 PRO 32 HB2 PRO 32 -5.591 4.159 -14.460 204 HB3 PRO 32 HB3 PRO 32 -6.503 4.425 -13.131 205 HG2 PRO 32 HG2 PRO 32 -4.005 5.586 -13.810 206 HG3 PRO 32 HG3 PRO 32 -5.301 6.306 -13.125 207 HD2 PRO 32 HD2 PRO 32 -3.190 5.486 -11.723 208 HD3 PRO 32 HD3 PRO 32 -4.664 5.714 -11.056 209 H LEU 33 H LEU 33 -3.941 0.775 -12.584 210 HA LEU 33 HA LEU 33 -1.581 1.226 -13.977 211 HB2 LEU 33 HB2 LEU 33 -2.423 -0.648 -12.301 212 HB3 LEU 33 HB3 LEU 33 -2.305 -1.483 -13.700 213 HG LEU 33 HG LEU 33 -0.383 -1.782 -12.438 214 HD11 LEU 33 HD11 LEU 33 1.279 -1.164 -14.062 215 HD12 LEU 33 HD12 LEU 33 0.211 -0.183 -14.776 216 HD13 LEU 33 HD13 LEU 33 -0.025 -1.783 -14.790 217 HD21 LEU 33 HD21 LEU 33 1.087 0.046 -11.901 218 HD22 LEU 33 HD22 LEU 33 -0.347 0.241 -11.179 219 HD23 LEU 33 HD23 LEU 33 0.010 1.087 -12.511 220 H ASN 34 H ASN 34 -1.432 1.633 -16.076 221 HA ASN 34 HA ASN 34 -3.196 0.384 -17.904 222 HB2 ASN 34 HB2 ASN 34 -2.327 2.675 -18.154 223 HB3 ASN 34 HB3 ASN 34 -0.905 2.004 -18.594 224 HD21 ASN 34 HD21 ASN 34 -3.697 2.615 -21.305 225 HD22 ASN 34 HD22 ASN 34 -3.645 3.338 -19.732 226 H GLY 35 H GLY 35 -2.861 -1.442 -19.133 227 HA2 GLY 35 HA2 GLY 35 -1.501 -2.862 -20.317 228 HA3 GLY 35 HA3 GLY 35 -0.166 -2.223 -19.626 229 H TRP 36 H TRP 36 -2.504 -3.109 -17.381 230 HA TRP 36 HA TRP 36 -0.929 -5.167 -16.356 231 HB2 TRP 36 HB2 TRP 36 -2.718 -5.581 -14.830 232 HB3 TRP 36 HB3 TRP 36 -2.280 -4.008 -14.872 233 HD1 TRP 36 HD1 TRP 36 -4.668 -5.287 -17.424 234 HE1 TRP 36 HE1 TRP 36 -6.967 -4.318 -17.154 235 HE3 TRP 36 HE3 TRP 36 -3.863 -2.945 -13.088 236 HZ2 TRP 36 HZ2 TRP 36 -8.205 -2.720 -15.199 237 HZ3 TRP 36 HZ3 TRP 36 -5.653 -1.704 -12.092 238 HH2 TRP 36 HH2 TRP 36 -7.799 -1.594 -13.145 239 H ALA 37 H ALA 37 -1.753 -7.460 -15.958 240 HA ALA 37 HA ALA 37 -3.004 -8.417 -18.364 241 HB1 ALA 37 HB1 ALA 37 -0.627 -8.782 -18.563 242 HB2 ALA 37 HB2 ALA 37 -1.373 -10.213 -18.466 243 HB3 ALA 37 HB3 ALA 37 -0.626 -9.602 -17.169 244 H VAL 38 H VAL 38 -4.107 -10.475 -18.256 245 HA VAL 38 HA VAL 38 -4.595 -11.347 -15.558 246 HB VAL 38 HB VAL 38 -6.577 -11.408 -17.692 247 HG11 VAL 38 HG11 VAL 38 -8.132 -12.160 -16.029 248 HG12 VAL 38 HG12 VAL 38 -6.950 -12.183 -14.925 249 HG13 VAL 38 HG13 VAL 38 -6.918 -13.219 -16.167 250 HG21 VAL 38 HG21 VAL 38 -7.737 -9.700 -16.468 251 HG22 VAL 38 HG22 VAL 38 -6.270 -9.171 -16.897 252 HG23 VAL 38 HG23 VAL 38 -6.541 -9.661 -15.380 253 H GLN 39 H GLN 39 -3.961 -13.469 -15.194 254 HA GLN 39 HA GLN 39 -3.733 -15.114 -17.548 255 HB2 GLN 39 HB2 GLN 39 -1.982 -16.076 -15.689 256 HB3 GLN 39 HB3 GLN 39 -1.601 -15.407 -17.130 257 HG2 GLN 39 HG2 GLN 39 -1.576 -13.260 -16.063 258 HG3 GLN 39 HG3 GLN 39 -1.803 -14.011 -14.631 259 HE21 GLN 39 HE21 GLN 39 1.481 -15.075 -14.183 260 HE22 GLN 39 HE22 GLN 39 -0.154 -15.199 -13.625 261 H TRP 40 H TRP 40 -4.154 -17.388 -17.370 262 HA TRP 40 HA TRP 40 -5.123 -18.319 -14.875 263 HB2 TRP 40 HB2 TRP 40 -7.264 -19.030 -15.825 264 HB3 TRP 40 HB3 TRP 40 -7.129 -17.409 -15.676 265 HD1 TRP 40 HD1 TRP 40 -6.605 -19.911 -18.452 266 HE1 TRP 40 HE1 TRP 40 -7.311 -18.992 -20.677 267 HE3 TRP 40 HE3 TRP 40 -7.936 -15.366 -16.873 268 HZ2 TRP 40 HZ2 TRP 40 -8.379 -16.539 -21.536 269 HZ3 TRP 40 HZ3 TRP 40 -8.810 -13.795 -18.460 270 HH2 TRP 40 HH2 TRP 40 -9.035 -14.387 -20.764 271 H GLN 41 H GLN 41 -5.700 -20.687 -14.929 272 HA GLN 41 HA GLN 41 -4.381 -22.037 -17.120 273 HB2 GLN 41 HB2 GLN 41 -3.035 -22.200 -15.174 274 HB3 GLN 41 HB3 GLN 41 -4.289 -22.857 -14.360 275 HG2 GLN 41 HG2 GLN 41 -4.191 -24.763 -15.754 276 HG3 GLN 41 HG3 GLN 41 -2.933 -24.106 -16.562 277 HE21 GLN 41 HE21 GLN 41 -2.190 -26.403 -13.488 278 HE22 GLN 41 HE22 GLN 41 -3.641 -26.387 -14.434 279 HA PRO 42 HA PRO 42 -8.389 -23.790 -17.219 280 HB2 PRO 42 HB2 PRO 42 -8.163 -25.495 -19.262 281 HB3 PRO 42 HB3 PRO 42 -8.144 -23.894 -19.582 282 HG2 PRO 42 HG2 PRO 42 -5.922 -25.642 -19.286 283 HG3 PRO 42 HG3 PRO 42 -6.190 -24.550 -20.471 284 HD2 PRO 42 HD2 PRO 42 -4.629 -23.964 -18.472 285 HD3 PRO 42 HD3 PRO 42 -5.544 -22.805 -19.169 286 H GLY 43 H GLY 43 -9.637 -25.772 -16.983 287 HA2 GLY 43 HA2 GLY 43 -8.392 -27.390 -15.046 288 HA3 GLY 43 HA3 GLY 43 -9.915 -27.558 -15.612 289 H GLY 44 H GLY 44 -8.722 -29.879 -15.128 290 HA2 GLY 44 HA2 GLY 44 -7.191 -30.839 -17.234 291 HA3 GLY 44 HA3 GLY 44 -7.978 -31.752 -16.132 292 H GLY 45 H GLY 45 -7.838 -30.799 -19.322 293 HA2 GLY 45 HA2 GLY 45 -9.132 -32.009 -20.910 294 HA3 GLY 45 HA3 GLY 45 -10.392 -32.037 -19.871 295 H THR 46 H THR 46 -9.634 -29.142 -19.264 296 HA THR 46 HA THR 46 -11.352 -28.033 -21.220 297 HB THR 46 HB THR 46 -10.108 -26.466 -19.094 298 HG1 THR 46 HG1 THR 46 -11.645 -27.145 -17.647 299 HG21 THR 46 HG21 THR 46 -12.157 -25.242 -19.106 300 HG22 THR 46 HG22 THR 46 -12.769 -26.241 -20.221 301 HG23 THR 46 HG23 THR 46 -11.549 -25.251 -20.604 302 H THR 47 H THR 47 -10.847 -26.359 -22.732 303 HA THR 47 HA THR 47 -8.181 -25.374 -22.686 304 HB THR 47 HB THR 47 -8.025 -27.272 -24.218 305 HG1 THR 47 HG1 THR 47 -6.585 -26.282 -25.282 306 HG21 THR 47 HG21 THR 47 -9.120 -27.135 -26.341 307 HG22 THR 47 HG22 THR 47 -9.831 -25.749 -25.905 308 HG23 THR 47 HG23 THR 47 -10.244 -27.133 -25.178 309 H LEU 48 H LEU 48 -7.848 -23.411 -24.027 310 HA LEU 48 HA LEU 48 -10.293 -21.938 -24.069 311 HB2 LEU 48 HB2 LEU 48 -7.544 -21.124 -24.197 312 HB3 LEU 48 HB3 LEU 48 -8.731 -20.050 -24.519 313 HG LEU 48 HG LEU 48 -7.950 -19.655 -22.397 314 HD11 LEU 48 HD11 LEU 48 -9.976 -19.855 -21.112 315 HD12 LEU 48 HD12 LEU 48 -10.560 -20.894 -22.206 316 HD13 LEU 48 HD13 LEU 48 -10.304 -19.350 -22.613 317 HD21 LEU 48 HD21 LEU 48 -8.006 -21.265 -20.637 318 HD22 LEU 48 HD22 LEU 48 -7.014 -21.743 -21.820 319 HD23 LEU 48 HD23 LEU 48 -8.487 -22.396 -21.687 320 H GLY 49 H GLY 49 -11.160 -20.854 -25.903 321 HA2 GLY 49 HA2 GLY 49 -10.104 -21.873 -28.387 322 HA3 GLY 49 HA3 GLY 49 -11.650 -21.403 -28.150 323 H GLY 50 H GLY 50 -11.532 -18.936 -27.108 324 HA2 GLY 50 HA2 GLY 50 -9.749 -17.363 -28.678 325 HA3 GLY 50 HA3 GLY 50 -11.328 -17.210 -29.067 326 H VAL 51 H VAL 51 -9.951 -14.996 -28.290 327 HA VAL 51 HA VAL 51 -11.310 -14.371 -25.826 328 HB VAL 51 HB VAL 51 -8.576 -13.551 -26.364 329 HG11 VAL 51 HG11 VAL 51 -8.634 -12.393 -24.258 330 HG12 VAL 51 HG12 VAL 51 -10.195 -12.778 -24.083 331 HG13 VAL 51 HG13 VAL 51 -9.738 -11.768 -25.260 332 HG21 VAL 51 HG21 VAL 51 -8.001 -14.829 -24.417 333 HG22 VAL 51 HG22 VAL 51 -8.683 -15.787 -25.526 334 HG23 VAL 51 HG23 VAL 51 -9.544 -15.283 -24.254 335 H TRP 52 H TRP 52 -12.380 -12.317 -25.886 336 HA TRP 52 HA TRP 52 -11.720 -10.724 -28.197 337 HB2 TRP 52 HB2 TRP 52 -13.969 -9.914 -28.249 338 HB3 TRP 52 HB3 TRP 52 -13.924 -11.536 -28.435 339 HD1 TRP 52 HD1 TRP 52 -14.952 -9.001 -25.907 340 HE1 TRP 52 HE1 TRP 52 -16.585 -9.933 -24.242 341 HE3 TRP 52 HE3 TRP 52 -14.686 -13.770 -27.356 342 HZ2 TRP 52 HZ2 TRP 52 -17.634 -12.495 -23.753 343 HZ3 TRP 52 HZ3 TRP 52 -16.058 -15.397 -26.248 344 HH2 TRP 52 HH2 TRP 52 -17.524 -14.753 -24.476 345 H ASN 53 H ASN 53 -11.840 -8.392 -28.014 346 HA ASN 53 HA ASN 53 -11.163 -6.576 -26.982 347 HB2 ASN 53 HB2 ASN 53 -12.795 -7.509 -24.776 348 HB3 ASN 53 HB3 ASN 53 -12.202 -5.989 -24.842 349 HD21 ASN 53 HD21 ASN 53 -15.725 -6.123 -26.057 350 HD22 ASN 53 HD22 ASN 53 -14.944 -6.708 -24.625 351 H GLY 54 H GLY 54 -9.103 -8.095 -27.060 352 HA2 GLY 54 HA2 GLY 54 -7.484 -7.139 -25.064 353 HA3 GLY 54 HA3 GLY 54 -7.879 -8.668 -24.649 354 H SER 55 H SER 55 -5.240 -8.108 -25.030 355 HA SER 55 HA SER 55 -4.682 -9.299 -27.609 356 HB2 SER 55 HB2 SER 55 -3.628 -7.147 -27.312 357 HB3 SER 55 HB3 SER 55 -2.846 -7.721 -25.999 358 HG SER 55 HG SER 55 -1.405 -8.565 -27.189 359 H LEU 56 H LEU 56 -3.658 -11.287 -27.711 360 HA LEU 56 HA LEU 56 -3.368 -12.551 -25.174 361 HB2 LEU 56 HB2 LEU 56 -3.969 -13.462 -27.793 362 HB3 LEU 56 HB3 LEU 56 -3.078 -14.514 -26.919 363 HG LEU 56 HG LEU 56 -5.621 -13.544 -25.988 364 HD11 LEU 56 HD11 LEU 56 -6.549 -15.613 -26.816 365 HD12 LEU 56 HD12 LEU 56 -5.113 -16.004 -27.449 366 HD13 LEU 56 HD13 LEU 56 -5.947 -14.753 -28.045 367 HD21 LEU 56 HD21 LEU 56 -5.546 -15.417 -24.505 368 HD22 LEU 56 HD22 LEU 56 -4.258 -14.471 -24.260 369 HD23 LEU 56 HD23 LEU 56 -4.105 -15.844 -25.101 370 H THR 57 H THR 57 -1.558 -13.305 -24.270 371 HA THR 57 HA THR 57 0.740 -13.696 -25.952 372 HB THR 57 HB THR 57 2.142 -12.809 -24.070 373 HG1 THR 57 HG1 THR 57 -0.348 -11.907 -23.326 374 HG21 THR 57 HG21 THR 57 1.936 -10.538 -24.853 375 HG22 THR 57 HG22 THR 57 0.504 -10.882 -25.521 376 HG23 THR 57 HG23 THR 57 1.857 -11.528 -26.129 377 H SER 58 H SER 58 2.291 -15.317 -24.989 378 HA SER 58 HA SER 58 0.849 -17.034 -23.193 379 HB2 SER 58 HB2 SER 58 2.861 -17.850 -25.145 380 HB3 SER 58 HB3 SER 58 2.053 -18.900 -24.190 381 HG SER 58 HG SER 58 1.348 -18.072 -26.499 382 H GLY 59 H GLY 59 2.003 -18.390 -21.659 383 HA2 GLY 59 HA2 GLY 59 4.331 -17.025 -20.639 384 HA3 GLY 59 HA3 GLY 59 3.324 -17.957 -19.753 385 H SER 60 H SER 60 5.905 -18.475 -19.385 386 HA SER 60 HA SER 60 6.938 -20.337 -21.166 387 HB2 SER 60 HB2 SER 60 7.682 -20.139 -18.356 388 HB3 SER 60 HB3 SER 60 8.665 -20.608 -19.573 389 HG SER 60 HG SER 60 9.300 -18.653 -19.524 390 H ASP 61 H ASP 61 4.592 -20.571 -18.806 391 HA ASP 61 HA ASP 61 4.970 -23.333 -18.281 392 HB2 ASP 61 HB2 ASP 61 4.060 -21.506 -16.728 393 HB3 ASP 61 HB3 ASP 61 2.628 -21.930 -17.389 394 H GLY 62 H GLY 62 3.945 -21.948 -20.873 395 HA2 GLY 62 HA2 GLY 62 2.674 -22.748 -22.574 396 HA3 GLY 62 HA3 GLY 62 2.232 -24.036 -21.672 397 H THR 63 H THR 63 1.600 -21.430 -19.863 398 HA THR 63 HA THR 63 -1.187 -21.608 -20.385 399 HB THR 63 HB THR 63 -1.329 -20.079 -18.406 400 HG1 THR 63 HG1 THR 63 1.340 -20.663 -18.100 401 HG21 THR 63 HG21 THR 63 -0.774 -21.818 -16.850 402 HG22 THR 63 HG22 THR 63 0.077 -22.590 -17.988 403 HG23 THR 63 HG23 THR 63 -1.532 -22.485 -18.113 404 H VAL 64 H VAL 64 -2.473 -19.409 -20.324 405 HA VAL 64 HA VAL 64 -1.048 -17.626 -22.050 406 HB VAL 64 HB VAL 64 -3.193 -17.134 -23.159 407 HG11 VAL 64 HG11 VAL 64 -3.257 -19.158 -24.462 408 HG12 VAL 64 HG12 VAL 64 -2.368 -19.910 -23.340 409 HG13 VAL 64 HG13 VAL 64 -1.724 -18.709 -24.210 410 HG21 VAL 64 HG21 VAL 64 -5.042 -18.612 -22.788 411 HG22 VAL 64 HG22 VAL 64 -4.681 -17.818 -21.426 412 HG23 VAL 64 HG23 VAL 64 -4.217 -19.356 -21.613 413 H THR 65 H THR 65 -1.611 -15.338 -22.037 414 HA THR 65 HA THR 65 -3.249 -14.563 -19.837 415 HB THR 65 HB THR 65 -0.985 -14.417 -18.979 416 HG1 THR 65 HG1 THR 65 -1.966 -11.858 -19.248 417 HG21 THR 65 HG21 THR 65 0.502 -12.778 -19.857 418 HG22 THR 65 HG22 THR 65 -0.570 -12.393 -21.004 419 HG23 THR 65 HG23 THR 65 0.148 -13.841 -21.023 420 H VAL 66 H VAL 66 -4.341 -12.576 -20.063 421 HA VAL 66 HA VAL 66 -4.236 -11.533 -22.749 422 HB VAL 66 HB VAL 66 -6.476 -11.378 -20.901 423 HG11 VAL 66 HG11 VAL 66 -7.748 -10.533 -22.734 424 HG12 VAL 66 HG12 VAL 66 -6.430 -10.557 -23.670 425 HG13 VAL 66 HG13 VAL 66 -6.512 -9.541 -22.414 426 HG21 VAL 66 HG21 VAL 66 -7.544 -13.005 -22.308 427 HG22 VAL 66 HG22 VAL 66 -6.180 -13.620 -21.695 428 HG23 VAL 66 HG23 VAL 66 -6.213 -13.094 -23.223 429 H ARG 67 H ARG 67 -3.562 -9.412 -23.038 430 HA ARG 67 HA ARG 67 -3.464 -7.785 -20.690 431 HB2 ARG 67 HB2 ARG 67 -1.144 -7.325 -20.960 432 HB3 ARG 67 HB3 ARG 67 -1.336 -8.945 -20.885 433 HG2 ARG 67 HG2 ARG 67 -1.015 -9.152 -23.170 434 HG3 ARG 67 HG3 ARG 67 -1.037 -7.530 -23.365 435 HD2 ARG 67 HD2 ARG 67 1.196 -8.114 -23.431 436 HD3 ARG 67 HD3 ARG 67 0.975 -7.467 -21.948 437 HE ARG 67 HE ARG 67 0.870 -10.327 -22.262 438 HH11 ARG 67 HH11 ARG 67 2.391 -7.520 -20.790 439 HH12 ARG 67 HH12 ARG 67 3.386 -8.483 -19.749 440 HH21 ARG 67 HH21 ARG 67 2.186 -11.530 -20.926 441 HH22 ARG 67 HH22 ARG 67 3.270 -10.744 -19.826 442 H ASN 68 H ASN 68 -2.833 -5.506 -21.013 443 HA ASN 68 HA ASN 68 -3.069 -3.623 -22.096 444 HB2 ASN 68 HB2 ASN 68 -1.742 -5.134 -24.200 445 HB3 ASN 68 HB3 ASN 68 -1.877 -3.508 -24.284 446 HD21 ASN 68 HD21 ASN 68 0.972 -2.851 -22.488 447 HD22 ASN 68 HD22 ASN 68 -0.220 -2.299 -23.616 448 H VAL 69 H VAL 69 -5.520 -4.410 -22.070 449 HA VAL 69 HA VAL 69 -6.670 -4.739 -24.536 450 HB VAL 69 HB VAL 69 -8.037 -3.565 -22.255 451 HG11 VAL 69 HG11 VAL 69 -10.035 -4.475 -23.246 452 HG12 VAL 69 HG12 VAL 69 -9.164 -5.045 -24.484 453 HG13 VAL 69 HG13 VAL 69 -9.328 -3.450 -24.278 454 HG21 VAL 69 HG21 VAL 69 -8.642 -5.778 -21.587 455 HG22 VAL 69 HG22 VAL 69 -7.034 -5.612 -21.564 456 HG23 VAL 69 HG23 VAL 69 -7.749 -6.392 -22.787 457 H ASP 70 H ASP 70 -7.487 -3.317 -26.101 458 HA ASP 70 HA ASP 70 -6.366 -0.863 -26.252 459 HB2 ASP 70 HB2 ASP 70 -7.811 -0.519 -28.149 460 HB3 ASP 70 HB3 ASP 70 -7.359 -2.088 -28.129 461 H HIS 71 H HIS 71 -9.363 -1.666 -24.785 462 HA HIS 71 HA HIS 71 -10.324 0.927 -24.802 463 HB2 HIS 71 HB2 HIS 71 -12.131 0.111 -23.464 464 HB3 HIS 71 HB3 HIS 71 -11.801 -0.982 -24.632 465 HD1 HIS 71 HD1 HIS 71 -13.139 -2.688 -23.061 466 HD2 HIS 71 HD2 HIS 71 -9.495 -1.393 -21.729 467 HE1 HIS 71 HE1 HIS 71 -12.400 -4.193 -21.231 468 HE2 HIS 71 HE2 HIS 71 -10.211 -3.416 -20.384 469 H ASN 72 H ASN 72 -7.843 -0.155 -23.098 470 HA ASN 72 HA ASN 72 -8.451 1.137 -20.669 471 HB2 ASN 72 HB2 ASN 72 -6.384 0.364 -19.885 472 HB3 ASN 72 HB3 ASN 72 -7.002 -0.835 -20.806 473 HD21 ASN 72 HD21 ASN 72 -3.536 -0.742 -21.738 474 HD22 ASN 72 HD22 ASN 72 -4.516 -1.223 -20.394 475 H ARG 73 H ARG 73 -7.727 2.359 -23.512 476 HA ARG 73 HA ARG 73 -5.907 4.329 -22.684 477 HB2 ARG 73 HB2 ARG 73 -7.339 3.937 -25.174 478 HB3 ARG 73 HB3 ARG 73 -6.376 5.242 -24.978 479 HG2 ARG 73 HG2 ARG 73 -4.535 3.700 -24.585 480 HG3 ARG 73 HG3 ARG 73 -5.532 2.495 -25.056 481 HD2 ARG 73 HD2 ARG 73 -5.293 4.670 -26.866 482 HD3 ARG 73 HD3 ARG 73 -3.987 3.696 -26.750 483 HE ARG 73 HE ARG 73 -6.541 2.992 -27.836 484 HH11 ARG 73 HH11 ARG 73 -3.309 1.904 -26.951 485 HH12 ARG 73 HH12 ARG 73 -3.410 0.488 -27.945 486 HH21 ARG 73 HH21 ARG 73 -6.595 1.173 -29.142 487 HH22 ARG 73 HH22 ARG 73 -5.252 0.079 -29.174 488 H VAL 74 H VAL 74 -9.246 4.078 -22.570 489 HA VAL 74 HA VAL 74 -9.488 6.916 -22.244 490 HB VAL 74 HB VAL 74 -10.300 6.078 -24.476 491 HG11 VAL 74 HG11 VAL 74 -12.494 5.154 -24.529 492 HG12 VAL 74 HG12 VAL 74 -12.528 5.126 -22.913 493 HG13 VAL 74 HG13 VAL 74 -11.494 4.177 -23.716 494 HG21 VAL 74 HG21 VAL 74 -12.109 7.644 -24.556 495 HG22 VAL 74 HG22 VAL 74 -10.851 8.287 -23.770 496 HG23 VAL 74 HG23 VAL 74 -12.120 7.722 -22.941 497 H VAL 75 H VAL 75 -9.963 4.015 -20.868 498 HA VAL 75 HA VAL 75 -12.372 4.470 -19.554 499 HB VAL 75 HB VAL 75 -11.418 2.253 -19.699 500 HG11 VAL 75 HG11 VAL 75 -9.660 1.600 -18.222 501 HG12 VAL 75 HG12 VAL 75 -9.520 3.125 -17.703 502 HG13 VAL 75 HG13 VAL 75 -9.140 2.752 -19.230 503 HG21 VAL 75 HG21 VAL 75 -12.049 1.508 -17.515 504 HG22 VAL 75 HG22 VAL 75 -13.120 2.588 -18.066 505 HG23 VAL 75 HG23 VAL 75 -12.009 3.033 -16.979 506 HA PRO 76 HA PRO 76 -10.810 7.336 -16.628 507 HB2 PRO 76 HB2 PRO 76 -12.831 7.527 -14.915 508 HB3 PRO 76 HB3 PRO 76 -12.998 8.178 -16.404 509 HG2 PRO 76 HG2 PRO 76 -13.912 5.635 -15.498 510 HG3 PRO 76 HG3 PRO 76 -14.748 6.757 -16.340 511 HD2 PRO 76 HD2 PRO 76 -13.670 4.746 -17.569 512 HD3 PRO 76 HD3 PRO 76 -13.742 6.206 -18.297 513 HA PRO 77 HA PRO 77 -9.206 5.027 -13.318 514 HB2 PRO 77 HB2 PRO 77 -8.638 6.869 -11.497 515 HB3 PRO 77 HB3 PRO 77 -7.742 6.819 -12.862 516 HG2 PRO 77 HG2 PRO 77 -9.955 8.514 -12.284 517 HG3 PRO 77 HG3 PRO 77 -8.510 8.932 -12.920 518 HD2 PRO 77 HD2 PRO 77 -10.578 8.573 -14.470 519 HD3 PRO 77 HD3 PRO 77 -9.079 8.194 -14.995 520 H ASP 78 H ASP 78 -9.531 4.504 -10.982 521 HA ASP 78 HA ASP 78 -10.883 3.952 -9.362 522 HB2 ASP 78 HB2 ASP 78 -11.682 5.792 -8.442 523 HB3 ASP 78 HB3 ASP 78 -11.769 6.513 -9.905 524 H GLY 79 H GLY 79 -11.949 3.766 -12.430 525 HA2 GLY 79 HA2 GLY 79 -14.397 2.441 -11.802 526 HA3 GLY 79 HA3 GLY 79 -13.837 2.778 -13.299 527 H SER 80 H SER 80 -14.499 0.699 -13.989 528 HA SER 80 HA SER 80 -12.595 -1.349 -13.325 529 HB2 SER 80 HB2 SER 80 -14.565 -1.761 -11.947 530 HB3 SER 80 HB3 SER 80 -15.463 -1.871 -13.307 531 HG SER 80 HG SER 80 -15.068 -3.884 -13.039 532 H VAL 81 H VAL 81 -12.452 -3.090 -14.944 533 HA VAL 81 HA VAL 81 -13.660 -2.351 -17.444 534 HB VAL 81 HB VAL 81 -11.636 -3.120 -18.599 535 HG11 VAL 81 HG11 VAL 81 -10.348 -1.136 -18.178 536 HG12 VAL 81 HG12 VAL 81 -11.208 -0.860 -16.837 537 HG13 VAL 81 HG13 VAL 81 -11.919 -0.764 -18.286 538 HG21 VAL 81 HG21 VAL 81 -9.620 -3.364 -17.346 539 HG22 VAL 81 HG22 VAL 81 -10.704 -4.472 -16.884 540 HG23 VAL 81 HG23 VAL 81 -10.446 -3.163 -15.970 541 H THR 82 H THR 82 -13.955 -4.191 -19.019 542 HA THR 82 HA THR 82 -13.659 -6.748 -17.814 543 HB THR 82 HB THR 82 -15.934 -6.111 -17.216 544 HG1 THR 82 HG1 THR 82 -16.973 -7.972 -18.133 545 HG21 THR 82 HG21 THR 82 -17.584 -5.895 -18.946 546 HG22 THR 82 HG22 THR 82 -16.450 -6.107 -20.079 547 HG23 THR 82 HG23 THR 82 -16.448 -4.768 -19.173 548 H PHE 83 H PHE 83 -13.817 -8.583 -19.256 549 HA PHE 83 HA PHE 83 -14.100 -8.122 -22.047 550 HB2 PHE 83 HB2 PHE 83 -12.001 -8.811 -22.730 551 HB3 PHE 83 HB3 PHE 83 -11.817 -7.528 -21.737 552 HD1 PHE 83 HD1 PHE 83 -10.992 -10.901 -22.243 553 HD2 PHE 83 HD2 PHE 83 -11.009 -7.894 -19.405 554 HE1 PHE 83 HE1 PHE 83 -9.428 -12.141 -20.923 555 HE2 PHE 83 HE2 PHE 83 -9.447 -9.117 -18.084 556 HZ PHE 83 HZ PHE 83 -8.623 -11.233 -18.852 557 H GLY 84 H GLY 84 -13.563 -10.496 -23.153 558 HA2 GLY 84 HA2 GLY 84 -14.278 -12.530 -21.279 559 HA3 GLY 84 HA3 GLY 84 -15.393 -12.199 -22.426 560 H PHE 85 H PHE 85 -14.752 -14.697 -22.375 561 HA PHE 85 HA PHE 85 -13.121 -15.087 -24.663 562 HB2 PHE 85 HB2 PHE 85 -11.734 -16.752 -23.567 563 HB3 PHE 85 HB3 PHE 85 -11.527 -15.280 -22.891 564 HD1 PHE 85 HD1 PHE 85 -12.122 -14.865 -20.613 565 HD2 PHE 85 HD2 PHE 85 -12.968 -18.506 -22.376 566 HE1 PHE 85 HE1 PHE 85 -12.612 -15.787 -18.465 567 HE2 PHE 85 HE2 PHE 85 -13.472 -19.430 -20.236 568 HZ PHE 85 HZ PHE 85 -13.287 -18.078 -18.276 569 H THR 86 H THR 86 -13.131 -17.393 -25.460 570 HA THR 86 HA THR 86 -15.506 -18.795 -24.596 571 HB THR 86 HB THR 86 -15.890 -17.907 -26.803 572 HG1 THR 86 HG1 THR 86 -17.106 -19.556 -26.918 573 HG21 THR 86 HG21 THR 86 -14.627 -18.739 -28.660 574 HG22 THR 86 HG22 THR 86 -13.688 -19.594 -27.658 575 HG23 THR 86 HG23 THR 86 -13.624 -17.979 -27.644 576 H ALA 87 H ALA 87 -15.406 -21.133 -24.628 577 HA ALA 87 HA ALA 87 -12.824 -22.286 -24.873 578 HB1 ALA 87 HB1 ALA 87 -12.695 -21.322 -22.664 579 HB2 ALA 87 HB2 ALA 87 -12.687 -22.934 -22.537 580 HB3 ALA 87 HB3 ALA 87 -14.042 -22.106 -22.234 581 H THR 88 H THR 88 -12.804 -24.656 -24.305 582 HA THR 88 HA THR 88 -15.390 -25.808 -24.148 583 HB THR 88 HB THR 88 -14.999 -25.873 -26.512 584 HG1 THR 88 HG1 THR 88 -16.253 -27.490 -25.936 585 HG21 THR 88 HG21 THR 88 -13.199 -27.193 -27.404 586 HG22 THR 88 HG22 THR 88 -12.673 -27.514 -25.909 587 HG23 THR 88 HG23 THR 88 -12.577 -26.010 -26.494 588 H SER 89 H SER 89 -15.102 -28.362 -24.008 589 HA SER 89 HA SER 89 -12.723 -29.051 -22.650 590 HB2 SER 89 HB2 SER 89 -14.129 -28.104 -20.857 591 HB3 SER 89 HB3 SER 89 -15.234 -29.268 -21.157 592 HG SER 89 HG SER 89 -13.453 -29.466 -19.461 593 H THR 90 H THR 90 -12.526 -31.355 -22.082 594 HA THR 90 HA THR 90 -13.898 -32.917 -23.966 595 HB THR 90 HB THR 90 -12.402 -34.752 -23.174 596 HG1 THR 90 HG1 THR 90 -12.428 -33.755 -21.010 597 HG21 THR 90 HG21 THR 90 -10.342 -33.744 -23.892 598 HG22 THR 90 HG22 THR 90 -10.975 -32.268 -23.700 599 HG23 THR 90 HG23 THR 90 -11.525 -33.237 -24.872 600 H GLY 91 H GLY 91 -14.773 -31.885 -21.077 601 HA2 GLY 91 HA2 GLY 91 -16.953 -33.253 -20.651 602 HA3 GLY 91 HA3 GLY 91 -15.860 -34.323 -20.078 603 H ASN 92 H ASN 92 -14.083 -32.250 -19.015 604 HA ASN 92 HA ASN 92 -15.553 -31.788 -16.625 605 HB2 ASN 92 HB2 ASN 92 -12.732 -31.531 -17.196 606 HB3 ASN 92 HB3 ASN 92 -13.342 -31.035 -15.765 607 HD21 ASN 92 HD21 ASN 92 -12.056 -34.643 -15.900 608 HD22 ASN 92 HD22 ASN 92 -11.482 -33.259 -16.769 609 H ASP 93 H ASP 93 -16.924 -30.052 -16.845 610 HA ASP 93 HA ASP 93 -15.878 -27.670 -18.023 611 HB2 ASP 93 HB2 ASP 93 -18.563 -28.330 -17.174 612 HB3 ASP 93 HB3 ASP 93 -18.187 -26.865 -17.790 613 H PHE 94 H PHE 94 -15.213 -28.802 -15.300 614 HA PHE 94 HA PHE 94 -16.264 -26.776 -13.585 615 HB2 PHE 94 HB2 PHE 94 -14.721 -29.109 -12.791 616 HB3 PHE 94 HB3 PHE 94 -15.660 -28.217 -11.796 617 HD1 PHE 94 HD1 PHE 94 -18.200 -28.174 -12.402 618 HD2 PHE 94 HD2 PHE 94 -15.561 -31.106 -13.638 619 HE1 PHE 94 HE1 PHE 94 -20.037 -29.630 -12.859 620 HE2 PHE 94 HE2 PHE 94 -17.393 -32.564 -14.106 621 HZ PHE 94 HZ PHE 94 -19.636 -31.832 -13.705 622 HA PRO 95 HA PRO 95 -12.397 -24.751 -13.319 623 HB2 PRO 95 HB2 PRO 95 -12.864 -23.010 -11.375 624 HB3 PRO 95 HB3 PRO 95 -13.654 -22.808 -12.790 625 HG2 PRO 95 HG2 PRO 95 -14.613 -24.064 -10.417 626 HG3 PRO 95 HG3 PRO 95 -15.382 -22.964 -11.348 627 HD2 PRO 95 HD2 PRO 95 -15.880 -25.520 -11.588 628 HD3 PRO 95 HD3 PRO 95 -16.003 -24.515 -12.869 629 H VAL 96 H VAL 96 -10.634 -24.179 -11.747 630 HA VAL 96 HA VAL 96 -10.615 -26.233 -9.780 631 HB VAL 96 HB VAL 96 -8.017 -25.441 -10.693 632 HG11 VAL 96 HG11 VAL 96 -7.554 -27.792 -10.557 633 HG12 VAL 96 HG12 VAL 96 -9.116 -28.085 -10.258 634 HG13 VAL 96 HG13 VAL 96 -8.224 -27.277 -9.178 635 HG21 VAL 96 HG21 VAL 96 -8.109 -26.680 -12.752 636 HG22 VAL 96 HG22 VAL 96 -9.156 -25.448 -12.802 637 HG23 VAL 96 HG23 VAL 96 -9.687 -26.950 -12.525 638 H ASP 97 H ASP 97 -9.479 -23.053 -10.544 639 HA ASP 97 HA ASP 97 -9.353 -22.404 -7.768 640 HB2 ASP 97 HB2 ASP 97 -7.099 -23.154 -8.442 641 HB3 ASP 97 HB3 ASP 97 -7.028 -21.819 -9.380 642 H SER 98 H SER 98 -8.896 -19.968 -7.462 643 HA SER 98 HA SER 98 -10.561 -18.563 -9.228 644 HB2 SER 98 HB2 SER 98 -8.932 -17.504 -7.058 645 HB3 SER 98 HB3 SER 98 -10.129 -16.668 -7.789 646 HG SER 98 HG SER 98 -11.590 -18.230 -7.057 647 H ILE 99 H ILE 99 -9.994 -16.571 -10.412 648 HA ILE 99 HA ILE 99 -7.301 -16.744 -11.428 649 HB ILE 99 HB ILE 99 -8.079 -15.721 -13.438 650 HG12 ILE 99 HG12 ILE 99 -10.736 -15.820 -13.350 651 HG13 ILE 99 HG13 ILE 99 -10.343 -15.182 -11.899 652 HG21 ILE 99 HG21 ILE 99 -9.428 -17.543 -14.245 653 HG22 ILE 99 HG22 ILE 99 -9.691 -18.025 -12.724 654 HG23 ILE 99 HG23 ILE 99 -8.205 -18.114 -13.354 655 HD11 ILE 99 HD11 ILE 99 -10.720 -13.445 -13.479 656 HD12 ILE 99 HD12 ILE 99 -9.565 -14.048 -14.437 657 HD13 ILE 99 HD13 ILE 99 -9.176 -13.416 -13.000 658 H GLY 100 H GLY 100 -6.174 -14.675 -11.946 659 HA2 GLY 100 HA2 GLY 100 -7.262 -12.375 -10.673 660 HA3 GLY 100 HA3 GLY 100 -5.924 -12.984 -9.964 661 H CYS 101 H CYS 101 -5.962 -10.402 -10.878 662 HA CYS 101 HA CYS 101 -4.658 -10.408 -13.402 663 HB2 CYS 101 HB2 CYS 101 -4.701 -8.099 -13.260 664 HB3 CYS 101 HB3 CYS 101 -6.175 -8.704 -12.901 665 H VAL 102 H VAL 102 -2.547 -9.387 -13.765 666 HA VAL 102 HA VAL 102 -0.923 -9.190 -11.423 667 HB VAL 102 HB VAL 102 0.944 -10.272 -12.526 668 HG11 VAL 102 HG11 VAL 102 0.177 -12.536 -12.278 669 HG12 VAL 102 HG12 VAL 102 -1.354 -12.017 -12.257 670 HG13 VAL 102 HG13 VAL 102 -0.353 -11.630 -11.048 671 HG21 VAL 102 HG21 VAL 102 0.564 -11.528 -14.544 672 HG22 VAL 102 HG22 VAL 102 0.293 -9.956 -14.807 673 HG23 VAL 102 HG23 VAL 102 -0.952 -10.969 -14.608 674 H ALA 103 H ALA 103 1.060 -7.828 -11.775 675 HA ALA 103 HA ALA 103 0.757 -5.942 -13.928 676 HB1 ALA 103 HB1 ALA 103 1.389 -5.041 -11.816 677 HB2 ALA 103 HB2 ALA 103 2.607 -4.807 -12.853 678 HB3 ALA 103 HB3 ALA 103 2.689 -6.000 -11.765 679 HA PRO 104 HA PRO 104 3.720 -8.173 -16.241 680 HB2 PRO 104 HB2 PRO 104 4.807 -6.361 -17.865 681 HB3 PRO 104 HB3 PRO 104 3.244 -6.778 -18.093 682 HG2 PRO 104 HG2 PRO 104 4.260 -4.509 -16.683 683 HG3 PRO 104 HG3 PRO 104 3.050 -4.544 -17.779 684 HD2 PRO 104 HD2 PRO 104 2.534 -4.537 -15.221 685 HD3 PRO 104 HD3 PRO 104 1.547 -5.310 -16.268 Start of MODEL 4 1 H1 HIS 1 H1 HIS 1 -0.280 -4.027 0.371 2 H2 HIS 1 H2 HIS 1 -0.219 -2.427 0.147 3 H3 HIS 1 H3 HIS 1 -0.225 -3.422 -1.128 4 HA HIS 1 HA HIS 1 -2.405 -4.099 -0.621 5 HB2 HIS 1 HB2 HIS 1 -2.157 -2.283 1.610 6 HB3 HIS 1 HB3 HIS 1 -3.621 -2.798 1.100 7 HD1 HIS 1 HD1 HIS 1 -1.546 -3.424 3.746 8 HD2 HIS 1 HD2 HIS 1 -3.401 -5.890 1.054 9 HE1 HIS 1 HE1 HIS 1 -1.658 -5.704 4.725 10 HE2 HIS 1 HE2 HIS 1 -2.775 -7.220 3.119 11 H THR 2 H THR 2 -4.076 -3.200 -1.827 12 HA THR 2 HA THR 2 -4.727 -1.934 -3.495 13 HB THR 2 HB THR 2 -5.108 0.363 -3.213 14 HG1 THR 2 HG1 THR 2 -2.723 0.327 -2.107 15 HG21 THR 2 HG21 THR 2 -5.911 0.499 -0.955 16 HG22 THR 2 HG22 THR 2 -5.026 -0.790 -0.544 17 HG23 THR 2 HG23 THR 2 -6.283 -0.959 -1.548 18 H GLY 3 H GLY 3 -3.857 0.286 -4.913 19 HA2 GLY 3 HA2 GLY 3 -2.153 0.946 -6.264 20 HA3 GLY 3 HA3 GLY 3 -1.085 0.092 -5.372 21 H SER 4 H SER 4 -3.745 -1.635 -6.454 22 HA SER 4 HA SER 4 -2.527 -2.541 -8.858 23 HB2 SER 4 HB2 SER 4 -1.516 -3.952 -7.118 24 HB3 SER 4 HB3 SER 4 -3.008 -4.544 -6.813 25 HG SER 4 HG SER 4 -2.139 -5.960 -8.156 26 H CYS 5 H CYS 5 -3.972 -4.291 -9.922 27 HA CYS 5 HA CYS 5 -6.641 -3.409 -9.738 28 HB2 CYS 5 HB2 CYS 5 -7.016 -4.974 -11.501 29 HB3 CYS 5 HB3 CYS 5 -5.830 -3.900 -11.827 30 H MET 6 H MET 6 -8.521 -4.971 -9.681 31 HA MET 6 HA MET 6 -7.893 -7.477 -8.371 32 HB2 MET 6 HB2 MET 6 -8.808 -6.004 -6.726 33 HB3 MET 6 HB3 MET 6 -10.164 -5.882 -7.628 34 HG2 MET 6 HG2 MET 6 -10.830 -7.911 -7.155 35 HG3 MET 6 HG3 MET 6 -9.320 -8.430 -6.813 36 HE1 MET 6 HE1 MET 6 -8.608 -7.437 -3.256 37 HE2 MET 6 HE2 MET 6 -7.983 -6.933 -4.660 38 HE3 MET 6 HE3 MET 6 -8.273 -8.506 -4.422 39 H ALA 7 H ALA 7 -9.187 -9.272 -9.173 40 HA ALA 7 HA ALA 7 -10.846 -8.500 -11.390 41 HB1 ALA 7 HB1 ALA 7 -8.788 -9.455 -12.223 42 HB2 ALA 7 HB2 ALA 7 -10.026 -10.410 -12.635 43 HB3 ALA 7 HB3 ALA 7 -9.075 -10.811 -11.391 44 H VAL 8 H VAL 8 -12.616 -9.806 -12.008 45 HA VAL 8 HA VAL 8 -13.419 -11.780 -10.067 46 HB VAL 8 HB VAL 8 -15.234 -9.819 -11.212 47 HG11 VAL 8 HG11 VAL 8 -16.924 -10.779 -9.809 48 HG12 VAL 8 HG12 VAL 8 -15.873 -11.896 -9.297 49 HG13 VAL 8 HG13 VAL 8 -16.362 -11.892 -10.838 50 HG21 VAL 8 HG21 VAL 8 -15.437 -8.928 -8.989 51 HG22 VAL 8 HG22 VAL 8 -13.902 -8.824 -9.487 52 HG23 VAL 8 HG23 VAL 8 -14.341 -9.991 -8.458 53 H TYR 9 H TYR 9 -14.256 -13.704 -11.022 54 HA TYR 9 HA TYR 9 -14.506 -13.567 -13.880 55 HB2 TYR 9 HB2 TYR 9 -12.549 -14.784 -13.464 56 HB3 TYR 9 HB3 TYR 9 -13.281 -15.666 -12.301 57 HD1 TYR 9 HD1 TYR 9 -13.874 -17.865 -12.835 58 HD2 TYR 9 HD2 TYR 9 -13.650 -15.072 -15.876 59 HE1 TYR 9 HE1 TYR 9 -14.405 -19.559 -14.434 60 HE2 TYR 9 HE2 TYR 9 -14.208 -16.761 -17.468 61 HH TYR 9 HH TYR 9 -14.677 -20.120 -16.567 62 H SER 10 H SER 10 -16.381 -14.138 -14.780 63 HA SER 10 HA SER 10 -17.979 -16.061 -13.354 64 HB2 SER 10 HB2 SER 10 -19.960 -14.891 -14.273 65 HB3 SER 10 HB3 SER 10 -19.122 -13.978 -13.209 66 HG SER 10 HG SER 10 -18.891 -13.848 -15.953 67 H VAL 11 H VAL 11 -18.995 -17.746 -14.531 68 HA VAL 11 HA VAL 11 -18.220 -18.073 -17.223 69 HB VAL 11 HB VAL 11 -20.210 -19.564 -15.743 70 HG11 VAL 11 HG11 VAL 11 -20.111 -21.191 -17.498 71 HG12 VAL 11 HG12 VAL 11 -19.104 -20.239 -18.332 72 HG13 VAL 11 HG13 VAL 11 -20.634 -19.778 -18.085 73 HG21 VAL 11 HG21 VAL 11 -18.505 -21.253 -15.560 74 HG22 VAL 11 HG22 VAL 11 -17.994 -19.881 -14.873 75 HG23 VAL 11 HG23 VAL 11 -17.466 -20.294 -16.345 76 H GLU 12 H GLU 12 -19.276 -17.275 -19.043 77 HA GLU 12 HA GLU 12 -21.371 -15.449 -18.557 78 HB2 GLU 12 HB2 GLU 12 -19.791 -14.809 -20.143 79 HB3 GLU 12 HB3 GLU 12 -19.959 -16.214 -20.959 80 HG2 GLU 12 HG2 GLU 12 -21.983 -15.551 -21.829 81 HG3 GLU 12 HG3 GLU 12 -22.039 -14.248 -20.846 82 H ASN 13 H ASN 13 -21.057 -18.215 -20.655 83 HA ASN 13 HA ASN 13 -23.675 -19.110 -20.061 84 HB2 ASN 13 HB2 ASN 13 -24.074 -17.487 -21.825 85 HB3 ASN 13 HB3 ASN 13 -23.153 -18.403 -22.815 86 HD21 ASN 13 HD21 ASN 13 -26.082 -19.834 -23.994 87 HD22 ASN 13 HD22 ASN 13 -24.756 -18.779 -24.353 88 H SER 14 H SER 14 -24.095 -21.301 -21.096 89 HA SER 14 HA SER 14 -21.717 -22.468 -22.180 90 HB2 SER 14 HB2 SER 14 -21.941 -24.427 -20.737 91 HB3 SER 14 HB3 SER 14 -21.655 -23.082 -19.854 92 HG SER 14 HG SER 14 -24.243 -23.749 -20.338 93 H TRP 15 H TRP 15 -22.022 -24.484 -23.369 94 HA TRP 15 HA TRP 15 -24.693 -25.254 -23.925 95 HB2 TRP 15 HB2 TRP 15 -24.706 -24.827 -26.212 96 HB3 TRP 15 HB3 TRP 15 -24.394 -23.421 -25.441 97 HD1 TRP 15 HD1 TRP 15 -21.211 -24.696 -25.291 98 HE1 TRP 15 HE1 TRP 15 -19.671 -24.176 -27.205 99 HE3 TRP 15 HE3 TRP 15 -24.710 -23.235 -28.534 100 HZ2 TRP 15 HZ2 TRP 15 -20.052 -23.238 -29.825 101 HZ3 TRP 15 HZ3 TRP 15 -24.042 -22.532 -30.726 102 HH2 TRP 15 HH2 TRP 15 -21.731 -22.539 -31.360 103 H SER 16 H SER 16 -24.577 -27.077 -25.798 104 HA SER 16 HA SER 16 -22.856 -29.005 -24.884 105 HB2 SER 16 HB2 SER 16 -23.396 -30.039 -27.179 106 HB3 SER 16 HB3 SER 16 -24.604 -29.882 -26.092 107 HG SER 16 HG SER 16 -24.813 -29.048 -28.358 108 H GLY 17 H GLY 17 -20.705 -29.214 -25.006 109 HA2 GLY 17 HA2 GLY 17 -18.845 -29.541 -26.342 110 HA3 GLY 17 HA3 GLY 17 -19.481 -28.602 -27.518 111 H GLY 18 H GLY 18 -19.853 -26.818 -24.801 112 HA2 GLY 18 HA2 GLY 18 -17.369 -26.002 -24.131 113 HA3 GLY 18 HA3 GLY 18 -17.711 -25.148 -25.481 114 H PHE 19 H PHE 19 -17.214 -23.370 -23.884 115 HA PHE 19 HA PHE 19 -19.695 -22.332 -23.032 116 HB2 PHE 19 HB2 PHE 19 -19.118 -22.000 -20.748 117 HB3 PHE 19 HB3 PHE 19 -19.039 -23.595 -21.091 118 HD1 PHE 19 HD1 PHE 19 -16.933 -24.775 -21.065 119 HD2 PHE 19 HD2 PHE 19 -17.101 -20.724 -20.271 120 HE1 PHE 19 HE1 PHE 19 -14.707 -24.854 -20.209 121 HE2 PHE 19 HE2 PHE 19 -14.864 -20.788 -19.439 122 HZ PHE 19 HZ PHE 19 -13.660 -22.857 -19.406 123 H GLN 20 H GLN 20 -19.476 -20.064 -22.096 124 HA GLN 20 HA GLN 20 -17.127 -18.765 -23.183 125 HB2 GLN 20 HB2 GLN 20 -19.810 -18.160 -23.568 126 HB3 GLN 20 HB3 GLN 20 -19.002 -16.866 -22.984 127 HG2 GLN 20 HG2 GLN 20 -17.923 -16.544 -24.855 128 HG3 GLN 20 HG3 GLN 20 -17.735 -18.143 -25.128 129 HE21 GLN 20 HE21 GLN 20 -19.938 -18.026 -27.771 130 HE22 GLN 20 HE22 GLN 20 -18.365 -18.463 -27.195 131 H GLY 21 H GLY 21 -16.255 -16.944 -21.962 132 HA2 GLY 21 HA2 GLY 21 -17.154 -16.912 -19.220 133 HA3 GLY 21 HA3 GLY 21 -15.580 -17.212 -19.538 134 H SER 22 H SER 22 -16.990 -15.007 -18.103 135 HA SER 22 HA SER 22 -15.879 -12.807 -19.607 136 HB2 SER 22 HB2 SER 22 -17.678 -11.451 -18.509 137 HB3 SER 22 HB3 SER 22 -18.200 -12.479 -19.666 138 HG SER 22 HG SER 22 -19.484 -13.147 -18.208 139 H VAL 23 H VAL 23 -14.716 -11.209 -18.509 140 HA VAL 23 HA VAL 23 -14.236 -11.803 -15.752 141 HB VAL 23 HB VAL 23 -11.982 -10.884 -17.295 142 HG11 VAL 23 HG11 VAL 23 -10.712 -12.131 -15.688 143 HG12 VAL 23 HG12 VAL 23 -12.082 -12.659 -15.010 144 HG13 VAL 23 HG13 VAL 23 -11.695 -11.091 -14.934 145 HG21 VAL 23 HG21 VAL 23 -11.347 -13.109 -17.917 146 HG22 VAL 23 HG22 VAL 23 -12.752 -12.717 -18.615 147 HG23 VAL 23 HG23 VAL 23 -12.735 -13.679 -17.316 148 H GLU 24 H GLU 24 -14.356 -10.034 -14.401 149 HA GLU 24 HA GLU 24 -14.272 -7.442 -15.655 150 HB2 GLU 24 HB2 GLU 24 -16.211 -7.964 -14.302 151 HB3 GLU 24 HB3 GLU 24 -15.231 -8.031 -12.997 152 HG2 GLU 24 HG2 GLU 24 -14.667 -5.720 -13.397 153 HG3 GLU 24 HG3 GLU 24 -15.820 -5.693 -14.554 154 H VAL 25 H VAL 25 -12.683 -5.916 -15.107 155 HA VAL 25 HA VAL 25 -10.979 -6.656 -12.916 156 HB VAL 25 HB VAL 25 -9.993 -5.415 -15.350 157 HG11 VAL 25 HG11 VAL 25 -7.814 -5.602 -14.368 158 HG12 VAL 25 HG12 VAL 25 -8.468 -6.197 -13.014 159 HG13 VAL 25 HG13 VAL 25 -8.753 -4.664 -13.444 160 HG21 VAL 25 HG21 VAL 25 -8.822 -7.473 -15.724 161 HG22 VAL 25 HG22 VAL 25 -10.415 -7.750 -15.674 162 HG23 VAL 25 HG23 VAL 25 -9.493 -8.104 -14.394 163 H MET 26 H MET 26 -11.315 -5.232 -11.280 164 HA MET 26 HA MET 26 -12.050 -2.558 -12.009 165 HB2 MET 26 HB2 MET 26 -12.914 -2.330 -9.809 166 HB3 MET 26 HB3 MET 26 -13.558 -3.642 -10.539 167 HG2 MET 26 HG2 MET 26 -13.148 -4.518 -8.634 168 HG3 MET 26 HG3 MET 26 -11.726 -4.830 -9.375 169 HE1 MET 26 HE1 MET 26 -12.431 -1.649 -6.226 170 HE2 MET 26 HE2 MET 26 -13.473 -2.830 -6.594 171 HE3 MET 26 HE3 MET 26 -13.196 -1.637 -7.651 172 H ASN 27 H ASN 27 -11.097 -0.681 -11.120 173 HA ASN 27 HA ASN 27 -8.327 -1.088 -10.694 174 HB2 ASN 27 HB2 ASN 27 -9.203 0.679 -12.148 175 HB3 ASN 27 HB3 ASN 27 -9.691 1.463 -10.801 176 HD21 ASN 27 HD21 ASN 27 -6.612 2.826 -9.978 177 HD22 ASN 27 HD22 ASN 27 -8.287 2.669 -9.563 178 H HIS 28 H HIS 28 -8.074 -1.981 -8.635 179 HA HIS 28 HA HIS 28 -9.449 -0.819 -6.507 180 HB2 HIS 28 HB2 HIS 28 -8.423 -3.204 -6.836 181 HB3 HIS 28 HB3 HIS 28 -7.264 -2.552 -5.888 182 HD1 HIS 28 HD1 HIS 28 -8.852 -1.008 -3.832 183 HD2 HIS 28 HD2 HIS 28 -9.848 -4.761 -5.121 184 HE1 HIS 28 HE1 HIS 28 -10.364 -2.035 -2.148 185 HE2 HIS 28 HE2 HIS 28 -10.967 -4.318 -2.893 186 H GLY 29 H GLY 29 -6.560 -0.084 -7.952 187 HA2 GLY 29 HA2 GLY 29 -5.291 1.110 -5.743 188 HA3 GLY 29 HA3 GLY 29 -4.893 1.318 -7.313 189 H THR 30 H THR 30 -4.757 3.470 -5.595 190 HA THR 30 HA THR 30 -7.143 4.934 -5.769 191 HB THR 30 HB THR 30 -5.728 6.794 -4.875 192 HG1 THR 30 HG1 THR 30 -3.780 4.858 -5.168 193 HG21 THR 30 HG21 THR 30 -5.326 5.743 -2.753 194 HG22 THR 30 HG22 THR 30 -5.470 4.282 -3.431 195 HG23 THR 30 HG23 THR 30 -6.762 5.245 -3.306 196 H GLU 31 H GLU 31 -4.348 4.551 -7.620 197 HA GLU 31 HA GLU 31 -5.149 6.625 -9.477 198 HB2 GLU 31 HB2 GLU 31 -2.517 5.466 -9.204 199 HB3 GLU 31 HB3 GLU 31 -2.897 6.712 -10.189 200 HG2 GLU 31 HG2 GLU 31 -3.433 7.999 -8.214 201 HG3 GLU 31 HG3 GLU 31 -2.818 6.778 -7.321 202 HA PRO 32 HA PRO 32 -6.003 3.406 -12.188 203 HB2 PRO 32 HB2 PRO 32 -5.662 4.433 -14.643 204 HB3 PRO 32 HB3 PRO 32 -6.908 4.954 -13.724 205 HG2 PRO 32 HG2 PRO 32 -4.359 6.180 -14.072 206 HG3 PRO 32 HG3 PRO 32 -5.828 6.893 -14.111 207 HD2 PRO 32 HD2 PRO 32 -4.372 7.008 -11.959 208 HD3 PRO 32 HD3 PRO 32 -5.999 6.926 -11.845 209 H LEU 33 H LEU 33 -5.174 1.541 -12.660 210 HA LEU 33 HA LEU 33 -2.389 1.491 -13.248 211 HB2 LEU 33 HB2 LEU 33 -4.240 -0.620 -12.637 212 HB3 LEU 33 HB3 LEU 33 -2.715 -0.954 -13.117 213 HG LEU 33 HG LEU 33 -2.582 -1.246 -10.934 214 HD11 LEU 33 HD11 LEU 33 -1.314 0.561 -9.995 215 HD12 LEU 33 HD12 LEU 33 -1.793 1.521 -11.205 216 HD13 LEU 33 HD13 LEU 33 -0.836 0.253 -11.509 217 HD21 LEU 33 HD21 LEU 33 -3.648 0.133 -9.275 218 HD22 LEU 33 HD22 LEU 33 -4.742 -0.472 -10.301 219 HD23 LEU 33 HD23 LEU 33 -4.258 1.064 -10.448 220 H ASN 34 H ASN 34 -1.714 1.602 -15.359 221 HA ASN 34 HA ASN 34 -3.497 0.641 -17.367 222 HB2 ASN 34 HB2 ASN 34 -2.314 2.776 -17.633 223 HB3 ASN 34 HB3 ASN 34 -0.935 1.921 -17.818 224 HD21 ASN 34 HD21 ASN 34 -1.570 2.444 -21.236 225 HD22 ASN 34 HD22 ASN 34 -0.696 3.053 -19.870 226 H GLY 35 H GLY 35 -3.176 -1.162 -18.727 227 HA2 GLY 35 HA2 GLY 35 -1.842 -2.629 -19.820 228 HA3 GLY 35 HA3 GLY 35 -0.525 -2.051 -19.046 229 H TRP 36 H TRP 36 -3.001 -3.090 -17.018 230 HA TRP 36 HA TRP 36 -1.438 -4.923 -15.755 231 HB2 TRP 36 HB2 TRP 36 -3.447 -5.576 -14.585 232 HB3 TRP 36 HB3 TRP 36 -3.419 -3.952 -14.758 233 HD1 TRP 36 HD1 TRP 36 -5.374 -6.889 -15.828 234 HE1 TRP 36 HE1 TRP 36 -7.450 -6.282 -17.106 235 HE3 TRP 36 HE3 TRP 36 -4.412 -2.018 -16.320 236 HZ2 TRP 36 HZ2 TRP 36 -8.458 -3.891 -18.179 237 HZ3 TRP 36 HZ3 TRP 36 -5.977 -0.638 -17.495 238 HH2 TRP 36 HH2 TRP 36 -7.980 -1.573 -18.416 239 H ALA 37 H ALA 37 -1.846 -7.271 -15.360 240 HA ALA 37 HA ALA 37 -2.617 -8.579 -17.813 241 HB1 ALA 37 HB1 ALA 37 -0.238 -8.767 -17.484 242 HB2 ALA 37 HB2 ALA 37 -0.904 -10.235 -17.364 243 HB3 ALA 37 HB3 ALA 37 -0.480 -9.427 -16.029 244 H VAL 38 H VAL 38 -3.670 -10.629 -17.696 245 HA VAL 38 HA VAL 38 -4.602 -11.342 -15.066 246 HB VAL 38 HB VAL 38 -6.299 -11.460 -17.423 247 HG11 VAL 38 HG11 VAL 38 -8.067 -12.018 -15.906 248 HG12 VAL 38 HG12 VAL 38 -7.024 -11.992 -14.671 249 HG13 VAL 38 HG13 VAL 38 -6.893 -13.126 -15.816 250 HG21 VAL 38 HG21 VAL 38 -7.527 -9.629 -16.479 251 HG22 VAL 38 HG22 VAL 38 -6.001 -9.178 -16.766 252 HG23 VAL 38 HG23 VAL 38 -6.468 -9.539 -15.260 253 H GLN 39 H GLN 39 -4.076 -13.465 -14.568 254 HA GLN 39 HA GLN 39 -3.016 -15.018 -16.709 255 HB2 GLN 39 HB2 GLN 39 -3.040 -15.684 -13.902 256 HB3 GLN 39 HB3 GLN 39 -2.176 -16.472 -15.042 257 HG2 GLN 39 HG2 GLN 39 -0.869 -14.513 -15.379 258 HG3 GLN 39 HG3 GLN 39 -1.710 -13.765 -14.195 259 HE21 GLN 39 HE21 GLN 39 1.519 -15.801 -13.269 260 HE22 GLN 39 HE22 GLN 39 1.078 -15.297 -14.866 261 H TRP 40 H TRP 40 -3.654 -17.248 -17.140 262 HA TRP 40 HA TRP 40 -6.455 -17.661 -16.522 263 HB2 TRP 40 HB2 TRP 40 -6.490 -17.139 -18.732 264 HB3 TRP 40 HB3 TRP 40 -5.041 -17.840 -19.006 265 HD1 TRP 40 HD1 TRP 40 -8.625 -18.591 -19.163 266 HE1 TRP 40 HE1 TRP 40 -9.093 -20.809 -20.243 267 HE3 TRP 40 HE3 TRP 40 -3.946 -20.326 -19.103 268 HZ2 TRP 40 HZ2 TRP 40 -7.474 -22.931 -21.129 269 HZ3 TRP 40 HZ3 TRP 40 -3.481 -22.449 -20.112 270 HH2 TRP 40 HH2 TRP 40 -5.230 -23.718 -21.143 271 H GLN 41 H GLN 41 -7.236 -19.730 -16.134 272 HA GLN 41 HA GLN 41 -5.180 -21.730 -15.791 273 HB2 GLN 41 HB2 GLN 41 -6.910 -20.709 -13.908 274 HB3 GLN 41 HB3 GLN 41 -7.248 -22.295 -14.102 275 HG2 GLN 41 HG2 GLN 41 -4.641 -21.308 -13.416 276 HG3 GLN 41 HG3 GLN 41 -5.708 -21.877 -12.318 277 HE21 GLN 41 HE21 GLN 41 -5.464 -25.289 -13.507 278 HE22 GLN 41 HE22 GLN 41 -6.700 -24.138 -13.122 279 HA PRO 42 HA PRO 42 -7.977 -23.932 -18.372 280 HB2 PRO 42 HB2 PRO 42 -6.785 -26.322 -18.492 281 HB3 PRO 42 HB3 PRO 42 -6.152 -25.080 -19.342 282 HG2 PRO 42 HG2 PRO 42 -5.338 -26.047 -16.788 283 HG3 PRO 42 HG3 PRO 42 -4.392 -25.653 -18.060 284 HD2 PRO 42 HD2 PRO 42 -4.731 -23.979 -16.093 285 HD3 PRO 42 HD3 PRO 42 -4.526 -23.433 -17.619 286 H GLY 43 H GLY 43 -9.719 -25.329 -18.231 287 HA2 GLY 43 HA2 GLY 43 -10.145 -26.390 -15.595 288 HA3 GLY 43 HA3 GLY 43 -11.261 -26.303 -16.784 289 H GLY 44 H GLY 44 -11.147 -28.674 -15.482 290 HA2 GLY 44 HA2 GLY 44 -9.298 -30.417 -16.679 291 HA3 GLY 44 HA3 GLY 44 -10.558 -30.849 -15.734 292 H GLY 45 H GLY 45 -9.512 -30.231 -18.953 293 HA2 GLY 45 HA2 GLY 45 -10.329 -31.698 -20.627 294 HA3 GLY 45 HA3 GLY 45 -11.798 -31.705 -19.912 295 H THR 46 H THR 46 -10.499 -28.642 -19.992 296 HA THR 46 HA THR 46 -11.956 -28.063 -22.387 297 HB THR 46 HB THR 46 -12.978 -27.118 -20.299 298 HG1 THR 46 HG1 THR 46 -13.205 -26.332 -22.592 299 HG21 THR 46 HG21 THR 46 -12.026 -25.069 -19.508 300 HG22 THR 46 HG22 THR 46 -10.808 -25.207 -20.564 301 HG23 THR 46 HG23 THR 46 -10.933 -26.248 -19.333 302 H THR 47 H THR 47 -11.239 -26.328 -23.780 303 HA THR 47 HA THR 47 -8.640 -25.287 -23.165 304 HB THR 47 HB THR 47 -8.233 -27.131 -24.695 305 HG1 THR 47 HG1 THR 47 -6.675 -26.109 -25.617 306 HG21 THR 47 HG21 THR 47 -8.959 -26.930 -26.967 307 HG22 THR 47 HG22 THR 47 -9.737 -25.556 -26.616 308 HG23 THR 47 HG23 THR 47 -10.261 -26.960 -26.009 309 H LEU 48 H LEU 48 -8.144 -23.248 -24.375 310 HA LEU 48 HA LEU 48 -10.565 -21.808 -24.682 311 HB2 LEU 48 HB2 LEU 48 -9.247 -19.862 -24.648 312 HB3 LEU 48 HB3 LEU 48 -8.736 -20.853 -23.455 313 HG LEU 48 HG LEU 48 -7.238 -21.243 -25.754 314 HD11 LEU 48 HD11 LEU 48 -6.136 -19.112 -25.786 315 HD12 LEU 48 HD12 LEU 48 -7.174 -18.553 -24.680 316 HD13 LEU 48 HD13 LEU 48 -7.697 -18.927 -26.163 317 HD21 LEU 48 HD21 LEU 48 -5.414 -20.966 -24.234 318 HD22 LEU 48 HD22 LEU 48 -6.512 -21.970 -23.600 319 HD23 LEU 48 HD23 LEU 48 -6.433 -20.435 -23.097 320 H GLY 49 H GLY 49 -10.973 -20.275 -26.484 321 HA2 GLY 49 HA2 GLY 49 -9.804 -21.256 -28.946 322 HA3 GLY 49 HA3 GLY 49 -11.356 -20.758 -28.839 323 H GLY 50 H GLY 50 -11.766 -18.469 -28.211 324 HA2 GLY 50 HA2 GLY 50 -9.618 -16.773 -29.150 325 HA3 GLY 50 HA3 GLY 50 -11.164 -16.529 -29.615 326 H VAL 51 H VAL 51 -9.847 -14.438 -28.551 327 HA VAL 51 HA VAL 51 -11.144 -14.138 -25.984 328 HB VAL 51 HB VAL 51 -8.708 -14.226 -25.783 329 HG11 VAL 51 HG11 VAL 51 -7.433 -12.319 -26.490 330 HG12 VAL 51 HG12 VAL 51 -8.753 -11.693 -27.184 331 HG13 VAL 51 HG13 VAL 51 -8.101 -13.054 -27.766 332 HG21 VAL 51 HG21 VAL 51 -8.517 -12.402 -24.248 333 HG22 VAL 51 HG22 VAL 51 -9.915 -13.183 -24.026 334 HG23 VAL 51 HG23 VAL 51 -9.893 -11.774 -24.819 335 H TRP 52 H TRP 52 -11.968 -11.951 -25.535 336 HA TRP 52 HA TRP 52 -11.908 -10.186 -27.775 337 HB2 TRP 52 HB2 TRP 52 -14.348 -9.777 -27.469 338 HB3 TRP 52 HB3 TRP 52 -13.920 -11.135 -28.271 339 HD1 TRP 52 HD1 TRP 52 -14.487 -13.457 -27.113 340 HE1 TRP 52 HE1 TRP 52 -16.023 -14.187 -25.263 341 HE3 TRP 52 HE3 TRP 52 -15.288 -8.945 -25.136 342 HZ2 TRP 52 HZ2 TRP 52 -17.435 -12.840 -23.243 343 HZ3 TRP 52 HZ3 TRP 52 -16.732 -8.750 -23.231 344 HH2 TRP 52 HH2 TRP 52 -17.797 -10.686 -22.303 345 H ASN 53 H ASN 53 -12.366 -7.971 -27.346 346 HA ASN 53 HA ASN 53 -12.029 -6.184 -26.134 347 HB2 ASN 53 HB2 ASN 53 -13.554 -7.660 -24.182 348 HB3 ASN 53 HB3 ASN 53 -13.073 -6.136 -23.844 349 HD21 ASN 53 HD21 ASN 53 -16.506 -5.932 -25.091 350 HD22 ASN 53 HD22 ASN 53 -15.719 -6.696 -23.751 351 H GLY 54 H GLY 54 -9.978 -8.269 -26.029 352 HA2 GLY 54 HA2 GLY 54 -8.221 -6.891 -24.331 353 HA3 GLY 54 HA3 GLY 54 -8.608 -8.348 -23.702 354 H SER 55 H SER 55 -5.975 -7.948 -24.307 355 HA SER 55 HA SER 55 -5.644 -9.233 -26.860 356 HB2 SER 55 HB2 SER 55 -3.614 -7.730 -25.402 357 HB3 SER 55 HB3 SER 55 -3.437 -8.286 -26.927 358 HG SER 55 HG SER 55 -4.802 -6.832 -27.694 359 H LEU 56 H LEU 56 -4.546 -11.179 -27.116 360 HA LEU 56 HA LEU 56 -4.027 -12.488 -24.633 361 HB2 LEU 56 HB2 LEU 56 -5.106 -13.336 -27.032 362 HB3 LEU 56 HB3 LEU 56 -3.836 -14.298 -26.675 363 HG LEU 56 HG LEU 56 -6.123 -13.953 -24.963 364 HD11 LEU 56 HD11 LEU 56 -6.712 -16.193 -25.642 365 HD12 LEU 56 HD12 LEU 56 -5.446 -16.222 -26.648 366 HD13 LEU 56 HD13 LEU 56 -6.682 -15.219 -26.933 367 HD21 LEU 56 HD21 LEU 56 -5.221 -15.744 -23.673 368 HD22 LEU 56 HD22 LEU 56 -4.188 -14.500 -23.696 369 HD23 LEU 56 HD23 LEU 56 -3.921 -15.791 -24.634 370 H THR 57 H THR 57 -2.124 -13.448 -24.017 371 HA THR 57 HA THR 57 -0.027 -13.570 -25.977 372 HB THR 57 HB THR 57 1.611 -12.967 -24.228 373 HG1 THR 57 HG1 THR 57 -0.706 -12.529 -22.830 374 HG21 THR 57 HG21 THR 57 1.202 -10.603 -24.356 375 HG22 THR 57 HG22 THR 57 -0.322 -10.876 -24.822 376 HG23 THR 57 HG23 THR 57 0.904 -11.255 -25.805 377 H SER 58 H SER 58 1.601 -15.315 -25.478 378 HA SER 58 HA SER 58 0.398 -17.309 -23.782 379 HB2 SER 58 HB2 SER 58 2.027 -17.817 -26.150 380 HB3 SER 58 HB3 SER 58 1.335 -18.992 -25.251 381 HG SER 58 HG SER 58 0.314 -17.836 -27.265 382 H GLY 59 H GLY 59 1.738 -18.732 -22.520 383 HA2 GLY 59 HA2 GLY 59 4.338 -17.591 -21.981 384 HA3 GLY 59 HA3 GLY 59 3.455 -18.443 -20.904 385 H SER 60 H SER 60 6.062 -19.143 -21.236 386 HA SER 60 HA SER 60 6.414 -21.054 -23.205 387 HB2 SER 60 HB2 SER 60 7.924 -20.858 -20.710 388 HB3 SER 60 HB3 SER 60 8.486 -21.529 -22.089 389 HG SER 60 HG SER 60 9.339 -19.647 -22.298 390 H ASP 61 H ASP 61 4.929 -21.179 -20.202 391 HA ASP 61 HA ASP 61 5.289 -23.934 -19.782 392 HB2 ASP 61 HB2 ASP 61 3.446 -22.188 -18.362 393 HB3 ASP 61 HB3 ASP 61 4.065 -23.581 -17.776 394 H GLY 62 H GLY 62 3.508 -22.531 -21.973 395 HA2 GLY 62 HA2 GLY 62 1.862 -23.492 -23.234 396 HA3 GLY 62 HA3 GLY 62 1.682 -24.695 -22.143 397 H THR 63 H THR 63 1.626 -21.849 -20.553 398 HA THR 63 HA THR 63 -1.229 -21.875 -20.360 399 HB THR 63 HB THR 63 -0.837 -20.329 -18.453 400 HG1 THR 63 HG1 THR 63 1.821 -20.966 -18.768 401 HG21 THR 63 HG21 THR 63 0.047 -22.019 -16.995 402 HG22 THR 63 HG22 THR 63 0.593 -22.855 -18.266 403 HG23 THR 63 HG23 THR 63 -0.998 -22.717 -18.013 404 H VAL 64 H VAL 64 -2.351 -19.629 -20.244 405 HA VAL 64 HA VAL 64 -1.000 -17.854 -22.033 406 HB VAL 64 HB VAL 64 -3.152 -17.244 -23.032 407 HG11 VAL 64 HG11 VAL 64 -3.372 -19.217 -24.387 408 HG12 VAL 64 HG12 VAL 64 -2.478 -20.048 -23.326 409 HG13 VAL 64 HG13 VAL 64 -1.809 -18.854 -24.187 410 HG21 VAL 64 HG21 VAL 64 -5.055 -18.632 -22.634 411 HG22 VAL 64 HG22 VAL 64 -4.603 -17.898 -21.266 412 HG23 VAL 64 HG23 VAL 64 -4.229 -19.452 -21.512 413 H THR 65 H THR 65 -1.666 -15.554 -21.969 414 HA THR 65 HA THR 65 -2.788 -14.794 -19.442 415 HB THR 65 HB THR 65 -0.288 -13.660 -20.444 416 HG1 THR 65 HG1 THR 65 0.014 -14.685 -18.079 417 HG21 THR 65 HG21 THR 65 -0.204 -12.423 -18.398 418 HG22 THR 65 HG22 THR 65 -1.620 -13.053 -17.938 419 HG23 THR 65 HG23 THR 65 -1.559 -12.028 -19.187 420 H VAL 66 H VAL 66 -4.331 -13.194 -19.656 421 HA VAL 66 HA VAL 66 -4.427 -11.852 -22.188 422 HB VAL 66 HB VAL 66 -6.470 -11.856 -20.125 423 HG11 VAL 66 HG11 VAL 66 -7.915 -10.896 -21.786 424 HG12 VAL 66 HG12 VAL 66 -6.687 -10.853 -22.837 425 HG13 VAL 66 HG13 VAL 66 -6.657 -9.916 -21.519 426 HG21 VAL 66 HG21 VAL 66 -7.668 -13.389 -21.527 427 HG22 VAL 66 HG22 VAL 66 -6.249 -14.032 -21.093 428 HG23 VAL 66 HG23 VAL 66 -6.435 -13.405 -22.572 429 H ARG 67 H ARG 67 -3.719 -9.697 -22.367 430 HA ARG 67 HA ARG 67 -3.757 -8.124 -20.002 431 HB2 ARG 67 HB2 ARG 67 -1.430 -7.611 -20.040 432 HB3 ARG 67 HB3 ARG 67 -1.634 -9.222 -19.866 433 HG2 ARG 67 HG2 ARG 67 -1.055 -9.568 -22.106 434 HG3 ARG 67 HG3 ARG 67 -0.944 -7.958 -22.351 435 HD2 ARG 67 HD2 ARG 67 0.818 -7.896 -20.680 436 HD3 ARG 67 HD3 ARG 67 0.774 -9.529 -20.644 437 HE ARG 67 HE ARG 67 1.192 -8.804 -23.256 438 HH11 ARG 67 HH11 ARG 67 2.892 -8.700 -20.175 439 HH12 ARG 67 HH12 ARG 67 4.455 -8.737 -20.920 440 HH21 ARG 67 HH21 ARG 67 3.238 -8.850 -24.175 441 HH22 ARG 67 HH22 ARG 67 4.649 -8.821 -23.171 442 H ASN 68 H ASN 68 -2.848 -5.840 -20.375 443 HA ASN 68 HA ASN 68 -3.099 -3.968 -21.510 444 HB2 ASN 68 HB2 ASN 68 -2.157 -5.579 -23.723 445 HB3 ASN 68 HB3 ASN 68 -2.291 -3.956 -23.848 446 HD21 ASN 68 HD21 ASN 68 0.527 -3.157 -21.920 447 HD22 ASN 68 HD22 ASN 68 -1.010 -2.563 -22.453 448 H VAL 69 H VAL 69 -5.478 -4.489 -21.005 449 HA VAL 69 HA VAL 69 -7.253 -4.839 -23.062 450 HB VAL 69 HB VAL 69 -7.454 -3.512 -20.531 451 HG11 VAL 69 HG11 VAL 69 -9.708 -2.836 -20.903 452 HG12 VAL 69 HG12 VAL 69 -9.591 -3.280 -22.454 453 HG13 VAL 69 HG13 VAL 69 -8.713 -2.040 -21.900 454 HG21 VAL 69 HG21 VAL 69 -9.169 -5.159 -20.149 455 HG22 VAL 69 HG22 VAL 69 -7.805 -5.886 -20.624 456 HG23 VAL 69 HG23 VAL 69 -9.017 -5.676 -21.673 457 H ASP 70 H ASP 70 -7.909 -3.626 -24.790 458 HA ASP 70 HA ASP 70 -6.386 -1.299 -25.266 459 HB2 ASP 70 HB2 ASP 70 -7.220 -1.487 -27.515 460 HB3 ASP 70 HB3 ASP 70 -6.760 -2.969 -27.007 461 H HIS 71 H HIS 71 -9.632 -2.049 -24.553 462 HA HIS 71 HA HIS 71 -10.618 0.413 -25.482 463 HB2 HIS 71 HB2 HIS 71 -12.780 -0.425 -24.737 464 HB3 HIS 71 HB3 HIS 71 -12.017 -1.470 -25.734 465 HD1 HIS 71 HD1 HIS 71 -12.956 -1.022 -22.172 466 HD2 HIS 71 HD2 HIS 71 -11.439 -3.928 -24.621 467 HE1 HIS 71 HE1 HIS 71 -12.951 -3.171 -20.923 468 HE2 HIS 71 HE2 HIS 71 -12.038 -4.948 -22.383 469 H ASN 72 H ASN 72 -8.788 0.157 -23.066 470 HA ASN 72 HA ASN 72 -10.342 1.653 -21.195 471 HB2 ASN 72 HB2 ASN 72 -8.585 1.407 -19.689 472 HB3 ASN 72 HB3 ASN 72 -8.735 -0.036 -20.439 473 HD21 ASN 72 HD21 ASN 72 -5.162 1.098 -20.232 474 HD22 ASN 72 HD22 ASN 72 -6.434 1.030 -19.058 475 H ARG 73 H ARG 73 -9.225 2.423 -23.948 476 HA ARG 73 HA ARG 73 -7.427 4.458 -23.675 477 HB2 ARG 73 HB2 ARG 73 -8.192 3.465 -25.775 478 HB3 ARG 73 HB3 ARG 73 -9.542 4.377 -25.654 479 HG2 ARG 73 HG2 ARG 73 -8.285 6.332 -25.923 480 HG3 ARG 73 HG3 ARG 73 -6.899 5.467 -25.937 481 HD2 ARG 73 HD2 ARG 73 -7.631 4.379 -27.947 482 HD3 ARG 73 HD3 ARG 73 -8.967 5.318 -27.946 483 HE ARG 73 HE ARG 73 -6.818 7.017 -27.903 484 HH11 ARG 73 HH11 ARG 73 -6.078 8.033 -29.762 485 HH12 ARG 73 HH12 ARG 73 -6.448 7.378 -31.322 486 HH21 ARG 73 HH21 ARG 73 -8.276 4.684 -30.098 487 HH22 ARG 73 HH22 ARG 73 -7.685 5.492 -31.512 488 H VAL 74 H VAL 74 -10.836 4.485 -23.259 489 HA VAL 74 HA VAL 74 -10.578 7.065 -21.984 490 HB VAL 74 HB VAL 74 -12.953 6.200 -23.400 491 HG11 VAL 74 HG11 VAL 74 -13.864 8.352 -22.859 492 HG12 VAL 74 HG12 VAL 74 -12.540 8.703 -22.000 493 HG13 VAL 74 HG13 VAL 74 -13.540 7.534 -21.502 494 HG21 VAL 74 HG21 VAL 74 -12.483 7.990 -24.931 495 HG22 VAL 74 HG22 VAL 74 -11.258 6.934 -24.927 496 HG23 VAL 74 HG23 VAL 74 -11.124 8.331 -24.124 497 H VAL 75 H VAL 75 -10.669 6.672 -19.792 498 HA VAL 75 HA VAL 75 -12.666 4.881 -18.817 499 HB VAL 75 HB VAL 75 -10.763 3.443 -19.220 500 HG11 VAL 75 HG11 VAL 75 -8.776 3.672 -17.899 501 HG12 VAL 75 HG12 VAL 75 -9.357 5.039 -17.258 502 HG13 VAL 75 HG13 VAL 75 -8.985 4.977 -18.830 503 HG21 VAL 75 HG21 VAL 75 -10.724 2.349 -17.091 504 HG22 VAL 75 HG22 VAL 75 -12.237 2.766 -17.483 505 HG23 VAL 75 HG23 VAL 75 -11.408 3.646 -16.410 506 HA PRO 76 HA PRO 76 -12.433 8.001 -15.771 507 HB2 PRO 76 HB2 PRO 76 -14.198 7.160 -13.974 508 HB3 PRO 76 HB3 PRO 76 -14.754 7.688 -15.416 509 HG2 PRO 76 HG2 PRO 76 -14.283 4.997 -14.604 510 HG3 PRO 76 HG3 PRO 76 -15.603 5.600 -15.352 511 HD2 PRO 76 HD2 PRO 76 -13.750 4.377 -16.721 512 HD3 PRO 76 HD3 PRO 76 -14.589 5.611 -17.384 513 HA PRO 77 HA PRO 77 -9.693 6.578 -12.761 514 HB2 PRO 77 HB2 PRO 77 -10.089 8.165 -10.661 515 HB3 PRO 77 HB3 PRO 77 -9.341 8.765 -11.984 516 HG2 PRO 77 HG2 PRO 77 -12.095 9.003 -11.277 517 HG3 PRO 77 HG3 PRO 77 -11.089 10.182 -11.790 518 HD2 PRO 77 HD2 PRO 77 -12.717 9.061 -13.467 519 HD3 PRO 77 HD3 PRO 77 -11.228 9.513 -13.965 520 H ASP 78 H ASP 78 -9.470 5.259 -10.975 521 HA ASP 78 HA ASP 78 -10.211 3.474 -9.972 522 HB2 ASP 78 HB2 ASP 78 -11.670 3.907 -8.047 523 HB3 ASP 78 HB3 ASP 78 -10.451 4.985 -8.182 524 H GLY 79 H GLY 79 -11.556 3.755 -12.461 525 HA2 GLY 79 HA2 GLY 79 -14.167 2.737 -12.015 526 HA3 GLY 79 HA3 GLY 79 -13.479 3.041 -13.464 527 H SER 80 H SER 80 -14.617 1.025 -14.067 528 HA SER 80 HA SER 80 -12.865 -1.197 -13.600 529 HB2 SER 80 HB2 SER 80 -14.758 -1.449 -12.071 530 HB3 SER 80 HB3 SER 80 -15.752 -1.504 -13.366 531 HG SER 80 HG SER 80 -15.461 -3.542 -13.113 532 H VAL 81 H VAL 81 -12.817 -2.810 -15.252 533 HA VAL 81 HA VAL 81 -14.332 -2.161 -17.595 534 HB VAL 81 HB VAL 81 -12.386 -2.633 -19.005 535 HG11 VAL 81 HG11 VAL 81 -11.331 -0.498 -18.693 536 HG12 VAL 81 HG12 VAL 81 -12.043 -0.353 -17.249 537 HG13 VAL 81 HG13 VAL 81 -12.937 -0.340 -18.596 538 HG21 VAL 81 HG21 VAL 81 -10.212 -2.633 -18.005 539 HG22 VAL 81 HG22 VAL 81 -11.081 -3.877 -17.447 540 HG23 VAL 81 HG23 VAL 81 -10.884 -2.556 -16.536 541 H THR 82 H THR 82 -14.425 -4.047 -19.205 542 HA THR 82 HA THR 82 -13.927 -6.517 -17.863 543 HB THR 82 HB THR 82 -16.311 -6.076 -17.600 544 HG1 THR 82 HG1 THR 82 -17.078 -8.042 -18.369 545 HG21 THR 82 HG21 THR 82 -17.729 -6.061 -19.536 546 HG22 THR 82 HG22 THR 82 -16.441 -6.217 -20.501 547 HG23 THR 82 HG23 THR 82 -16.665 -4.850 -19.666 548 H PHE 83 H PHE 83 -13.803 -8.450 -19.189 549 HA PHE 83 HA PHE 83 -13.716 -8.124 -22.021 550 HB2 PHE 83 HB2 PHE 83 -11.542 -8.818 -22.359 551 HB3 PHE 83 HB3 PHE 83 -11.482 -7.538 -21.346 552 HD1 PHE 83 HD1 PHE 83 -10.860 -11.010 -21.643 553 HD2 PHE 83 HD2 PHE 83 -10.847 -7.831 -19.002 554 HE1 PHE 83 HE1 PHE 83 -9.579 -12.303 -20.100 555 HE2 PHE 83 HE2 PHE 83 -9.530 -9.106 -17.473 556 HZ PHE 83 HZ PHE 83 -8.892 -11.346 -18.021 557 H GLY 84 H GLY 84 -13.110 -10.515 -22.955 558 HA2 GLY 84 HA2 GLY 84 -13.628 -12.564 -21.095 559 HA3 GLY 84 HA3 GLY 84 -14.915 -12.285 -22.061 560 H PHE 85 H PHE 85 -14.368 -14.694 -22.376 561 HA PHE 85 HA PHE 85 -12.889 -14.911 -24.791 562 HB2 PHE 85 HB2 PHE 85 -11.462 -16.661 -23.984 563 HB3 PHE 85 HB3 PHE 85 -11.203 -15.294 -23.131 564 HD1 PHE 85 HD1 PHE 85 -11.852 -15.137 -20.792 565 HD2 PHE 85 HD2 PHE 85 -12.454 -18.613 -22.947 566 HE1 PHE 85 HE1 PHE 85 -12.270 -16.320 -18.760 567 HE2 PHE 85 HE2 PHE 85 -12.898 -19.796 -20.921 568 HZ PHE 85 HZ PHE 85 -12.802 -18.651 -18.822 569 H THR 86 H THR 86 -12.996 -17.231 -25.697 570 HA THR 86 HA THR 86 -15.388 -18.532 -24.750 571 HB THR 86 HB THR 86 -15.874 -17.565 -26.898 572 HG1 THR 86 HG1 THR 86 -17.161 -19.162 -26.958 573 HG21 THR 86 HG21 THR 86 -14.759 -18.371 -28.858 574 HG22 THR 86 HG22 THR 86 -13.795 -19.298 -27.949 575 HG23 THR 86 HG23 THR 86 -13.667 -17.688 -27.881 576 H ALA 87 H ALA 87 -15.420 -20.862 -24.813 577 HA ALA 87 HA ALA 87 -12.850 -22.059 -25.225 578 HB1 ALA 87 HB1 ALA 87 -12.935 -21.539 -22.868 579 HB2 ALA 87 HB2 ALA 87 -12.944 -23.145 -23.054 580 HB3 ALA 87 HB3 ALA 87 -14.320 -22.361 -22.728 581 H THR 88 H THR 88 -12.828 -24.394 -25.423 582 HA THR 88 HA THR 88 -15.431 -25.457 -26.001 583 HB THR 88 HB THR 88 -14.204 -26.892 -27.721 584 HG1 THR 88 HG1 THR 88 -12.178 -26.603 -27.740 585 HG21 THR 88 HG21 THR 88 -14.443 -25.201 -29.405 586 HG22 THR 88 HG22 THR 88 -14.496 -24.052 -28.269 587 HG23 THR 88 HG23 THR 88 -15.710 -25.111 -28.405 588 H SER 89 H SER 89 -15.661 -27.831 -25.754 589 HA SER 89 HA SER 89 -13.880 -28.759 -23.691 590 HB2 SER 89 HB2 SER 89 -16.099 -28.347 -22.846 591 HB3 SER 89 HB3 SER 89 -16.711 -29.384 -23.949 592 HG SER 89 HG SER 89 -15.681 -29.896 -21.582 593 H THR 90 H THR 90 -13.155 -30.912 -23.629 594 HA THR 90 HA THR 90 -13.568 -32.304 -26.077 595 HB THR 90 HB THR 90 -11.270 -32.102 -25.195 596 HG1 THR 90 HG1 THR 90 -11.451 -34.742 -25.342 597 HG21 THR 90 HG21 THR 90 -10.616 -33.588 -23.430 598 HG22 THR 90 HG22 THR 90 -12.141 -34.100 -23.272 599 HG23 THR 90 HG23 THR 90 -11.751 -32.584 -22.867 600 H GLY 91 H GLY 91 -15.122 -32.118 -23.302 601 HA2 GLY 91 HA2 GLY 91 -16.968 -33.807 -23.345 602 HA3 GLY 91 HA3 GLY 91 -15.786 -34.924 -23.198 603 H ASN 92 H ASN 92 -14.529 -32.653 -21.430 604 HA ASN 92 HA ASN 92 -16.080 -33.226 -19.066 605 HB2 ASN 92 HB2 ASN 92 -13.214 -33.383 -19.299 606 HB3 ASN 92 HB3 ASN 92 -13.925 -33.218 -17.838 607 HD21 ASN 92 HD21 ASN 92 -13.358 -36.809 -19.212 608 HD22 ASN 92 HD22 ASN 92 -12.517 -35.378 -19.705 609 H ASP 93 H ASP 93 -16.536 -31.503 -17.735 610 HA ASP 93 HA ASP 93 -15.461 -28.984 -18.635 611 HB2 ASP 93 HB2 ASP 93 -18.162 -29.538 -17.726 612 HB3 ASP 93 HB3 ASP 93 -17.636 -28.027 -18.053 613 H PHE 94 H PHE 94 -14.384 -30.605 -16.534 614 HA PHE 94 HA PHE 94 -15.381 -29.835 -14.099 615 HB2 PHE 94 HB2 PHE 94 -12.675 -30.741 -14.628 616 HB3 PHE 94 HB3 PHE 94 -13.382 -30.777 -13.156 617 HD1 PHE 94 HD1 PHE 94 -15.933 -31.963 -13.597 618 HD2 PHE 94 HD2 PHE 94 -12.292 -32.925 -15.300 619 HE1 PHE 94 HE1 PHE 94 -16.729 -34.169 -14.047 620 HE2 PHE 94 HE2 PHE 94 -13.070 -35.144 -15.719 621 HZ PHE 94 HZ PHE 94 -15.298 -35.764 -15.109 622 HA PRO 95 HA PRO 95 -13.491 -25.867 -13.863 623 HB2 PRO 95 HB2 PRO 95 -14.665 -24.904 -11.696 624 HB3 PRO 95 HB3 PRO 95 -15.576 -25.083 -13.040 625 HG2 PRO 95 HG2 PRO 95 -15.376 -26.854 -10.814 626 HG3 PRO 95 HG3 PRO 95 -16.732 -26.339 -11.565 627 HD2 PRO 95 HD2 PRO 95 -15.673 -28.677 -12.118 628 HD3 PRO 95 HD3 PRO 95 -16.509 -27.840 -13.244 629 H VAL 96 H VAL 96 -12.140 -24.560 -12.371 630 HA VAL 96 HA VAL 96 -10.881 -26.304 -10.469 631 HB VAL 96 HB VAL 96 -9.412 -24.473 -12.185 632 HG11 VAL 96 HG11 VAL 96 -7.417 -25.337 -11.177 633 HG12 VAL 96 HG12 VAL 96 -8.307 -26.245 -10.179 634 HG13 VAL 96 HG13 VAL 96 -8.342 -24.634 -10.052 635 HG21 VAL 96 HG21 VAL 96 -8.457 -26.449 -13.171 636 HG22 VAL 96 HG22 VAL 96 -10.063 -26.464 -13.359 637 HG23 VAL 96 HG23 VAL 96 -9.375 -27.375 -12.214 638 H ASP 97 H ASP 97 -10.483 -22.935 -11.382 639 HA ASP 97 HA ASP 97 -11.588 -22.012 -8.950 640 HB2 ASP 97 HB2 ASP 97 -9.211 -22.583 -8.448 641 HB3 ASP 97 HB3 ASP 97 -8.827 -21.281 -9.356 642 H SER 98 H SER 98 -11.568 -19.540 -8.858 643 HA SER 98 HA SER 98 -11.976 -18.448 -11.402 644 HB2 SER 98 HB2 SER 98 -12.151 -16.312 -10.082 645 HB3 SER 98 HB3 SER 98 -13.238 -17.466 -9.691 646 HG SER 98 HG SER 98 -12.544 -17.280 -7.777 647 H ILE 99 H ILE 99 -10.850 -16.488 -12.253 648 HA ILE 99 HA ILE 99 -8.044 -16.799 -11.783 649 HB ILE 99 HB ILE 99 -7.771 -15.724 -13.994 650 HG12 ILE 99 HG12 ILE 99 -10.633 -15.982 -14.164 651 HG13 ILE 99 HG13 ILE 99 -9.860 -14.557 -13.967 652 HG21 ILE 99 HG21 ILE 99 -8.451 -17.666 -15.243 653 HG22 ILE 99 HG22 ILE 99 -9.356 -18.157 -13.997 654 HG23 ILE 99 HG23 ILE 99 -7.745 -18.123 -13.862 655 HD11 ILE 99 HD11 ILE 99 -10.490 -14.837 -16.235 656 HD12 ILE 99 HD12 ILE 99 -9.643 -16.212 -16.317 657 HD13 ILE 99 HD13 ILE 99 -8.878 -14.801 -16.121 658 H GLY 100 H GLY 100 -6.575 -14.992 -11.673 659 HA2 GLY 100 HA2 GLY 100 -7.906 -12.581 -10.778 660 HA3 GLY 100 HA3 GLY 100 -6.644 -13.218 -9.961 661 H CYS 101 H CYS 101 -6.317 -10.660 -10.579 662 HA CYS 101 HA CYS 101 -4.784 -10.677 -13.006 663 HB2 CYS 101 HB2 CYS 101 -5.140 -8.431 -13.226 664 HB3 CYS 101 HB3 CYS 101 -6.579 -9.143 -12.927 665 H VAL 102 H VAL 102 -2.799 -9.465 -13.171 666 HA VAL 102 HA VAL 102 -1.459 -9.085 -10.682 667 HB VAL 102 HB VAL 102 0.508 -10.305 -11.500 668 HG11 VAL 102 HG11 VAL 102 -0.347 -12.502 -11.045 669 HG12 VAL 102 HG12 VAL 102 -1.859 -11.953 -11.218 670 HG13 VAL 102 HG13 VAL 102 -0.950 -11.443 -9.982 671 HG21 VAL 102 HG21 VAL 102 0.253 -11.782 -13.370 672 HG22 VAL 102 HG22 VAL 102 0.038 -10.250 -13.841 673 HG23 VAL 102 HG23 VAL 102 -1.241 -11.214 -13.621 674 H ALA 103 H ALA 103 0.671 -7.870 -10.951 675 HA ALA 103 HA ALA 103 0.504 -5.817 -12.823 676 HB1 ALA 103 HB1 ALA 103 1.786 -5.543 -10.827 677 HB2 ALA 103 HB2 ALA 103 2.744 -5.267 -12.100 678 HB3 ALA 103 HB3 ALA 103 2.828 -6.679 -11.315 679 HA PRO 104 HA PRO 104 2.206 -7.905 -16.240 680 HB2 PRO 104 HB2 PRO 104 2.996 -5.938 -17.847 681 HB3 PRO 104 HB3 PRO 104 1.397 -6.094 -17.553 682 HG2 PRO 104 HG2 PRO 104 3.246 -4.340 -16.270 683 HG3 PRO 104 HG3 PRO 104 1.771 -3.973 -16.868 684 HD2 PRO 104 HD2 PRO 104 2.096 -4.441 -14.318 685 HD3 PRO 104 HD3 PRO 104 0.697 -4.834 -15.064 Start of MODEL 5 1 H1 HIS 1 H1 HIS 1 -2.402 -13.060 -3.528 2 H2 HIS 1 H2 HIS 1 -1.362 -12.471 -4.617 3 H3 HIS 1 H3 HIS 1 -2.813 -11.781 -4.429 4 HA HIS 1 HA HIS 1 -2.229 -11.080 -2.273 5 HB2 HIS 1 HB2 HIS 1 -0.711 -12.796 -1.675 6 HB3 HIS 1 HB3 HIS 1 0.335 -12.312 -2.831 7 HD1 HIS 1 HD1 HIS 1 1.886 -10.297 -2.385 8 HD2 HIS 1 HD2 HIS 1 -0.578 -11.335 0.716 9 HE1 HIS 1 HE1 HIS 1 2.633 -9.082 -0.352 10 HE2 HIS 1 HE2 HIS 1 1.167 -9.683 1.541 11 H THR 2 H THR 2 -2.314 -8.934 -2.530 12 HA THR 2 HA THR 2 -1.974 -7.014 -3.480 13 HB THR 2 HB THR 2 0.406 -6.172 -3.398 14 HG1 THR 2 HG1 THR 2 0.823 -8.847 -3.086 15 HG21 THR 2 HG21 THR 2 0.620 -6.425 -1.015 16 HG22 THR 2 HG22 THR 2 -0.463 -7.626 -1.030 17 HG23 THR 2 HG23 THR 2 -0.928 -6.113 -1.363 18 H GLY 3 H GLY 3 -2.852 -8.001 -5.552 19 HA2 GLY 3 HA2 GLY 3 -0.879 -7.882 -7.644 20 HA3 GLY 3 HA3 GLY 3 -2.356 -8.567 -7.772 21 H SER 4 H SER 4 -2.361 -5.605 -6.253 22 HA SER 4 HA SER 4 -3.031 -3.601 -6.823 23 HB2 SER 4 HB2 SER 4 -1.347 -4.053 -8.818 24 HB3 SER 4 HB3 SER 4 -2.700 -3.723 -9.671 25 HG SER 4 HG SER 4 -1.069 -2.043 -8.618 26 H CYS 5 H CYS 5 -4.509 -6.203 -8.211 27 HA CYS 5 HA CYS 5 -6.973 -4.775 -8.218 28 HB2 CYS 5 HB2 CYS 5 -7.651 -5.654 -10.293 29 HB3 CYS 5 HB3 CYS 5 -6.399 -4.614 -10.429 30 H MET 6 H MET 6 -8.868 -6.389 -8.658 31 HA MET 6 HA MET 6 -8.225 -9.104 -7.849 32 HB2 MET 6 HB2 MET 6 -9.065 -7.930 -5.924 33 HB3 MET 6 HB3 MET 6 -10.453 -7.663 -6.743 34 HG2 MET 6 HG2 MET 6 -10.880 -9.902 -6.830 35 HG3 MET 6 HG3 MET 6 -9.444 -10.231 -6.124 36 HE1 MET 6 HE1 MET 6 -12.082 -11.190 -3.345 37 HE2 MET 6 HE2 MET 6 -10.878 -11.787 -4.244 38 HE3 MET 6 HE3 MET 6 -12.277 -11.372 -4.940 39 H ALA 7 H ALA 7 -9.716 -10.649 -8.859 40 HA ALA 7 HA ALA 7 -11.448 -9.445 -10.820 41 HB1 ALA 7 HB1 ALA 7 -9.443 -10.136 -11.972 42 HB2 ALA 7 HB2 ALA 7 -10.686 -11.034 -12.486 43 HB3 ALA 7 HB3 ALA 7 -9.634 -11.643 -11.420 44 H VAL 8 H VAL 8 -13.272 -10.642 -11.524 45 HA VAL 8 HA VAL 8 -13.899 -12.938 -9.894 46 HB VAL 8 HB VAL 8 -15.824 -10.872 -10.568 47 HG11 VAL 8 HG11 VAL 8 -17.401 -12.129 -9.252 48 HG12 VAL 8 HG12 VAL 8 -16.291 -13.281 -9.014 49 HG13 VAL 8 HG13 VAL 8 -16.887 -13.026 -10.495 50 HG21 VAL 8 HG21 VAL 8 -15.894 -10.385 -8.229 51 HG22 VAL 8 HG22 VAL 8 -14.400 -10.149 -8.802 52 HG23 VAL 8 HG23 VAL 8 -14.741 -11.486 -7.959 53 H TYR 9 H TYR 9 -14.715 -14.717 -11.077 54 HA TYR 9 HA TYR 9 -14.917 -14.276 -13.908 55 HB2 TYR 9 HB2 TYR 9 -13.358 -15.938 -13.527 56 HB3 TYR 9 HB3 TYR 9 -14.278 -16.635 -12.371 57 HD1 TYR 9 HD1 TYR 9 -15.283 -18.653 -12.886 58 HD2 TYR 9 HD2 TYR 9 -14.510 -15.991 -15.955 59 HE1 TYR 9 HE1 TYR 9 -16.080 -20.253 -14.473 60 HE2 TYR 9 HE2 TYR 9 -15.335 -17.579 -17.533 61 HH TYR 9 HH TYR 9 -16.210 -20.842 -16.621 62 H SER 10 H SER 10 -16.748 -14.637 -15.088 63 HA SER 10 HA SER 10 -18.931 -15.909 -13.710 64 HB2 SER 10 HB2 SER 10 -19.179 -13.640 -15.518 65 HB3 SER 10 HB3 SER 10 -20.463 -14.416 -14.873 66 HG SER 10 HG SER 10 -19.489 -12.434 -13.845 67 H VAL 11 H VAL 11 -20.231 -17.381 -14.909 68 HA VAL 11 HA VAL 11 -19.230 -18.051 -17.482 69 HB VAL 11 HB VAL 11 -21.466 -19.261 -16.092 70 HG11 VAL 11 HG11 VAL 11 -21.295 -21.065 -17.674 71 HG12 VAL 11 HG12 VAL 11 -20.126 -20.270 -18.458 72 HG13 VAL 11 HG13 VAL 11 -21.632 -19.683 -18.444 73 HG21 VAL 11 HG21 VAL 11 -19.934 -21.054 -15.562 74 HG22 VAL 11 HG22 VAL 11 -19.392 -19.664 -14.937 75 HG23 VAL 11 HG23 VAL 11 -18.738 -20.249 -16.295 76 H GLU 12 H GLU 12 -20.138 -17.449 -19.467 77 HA GLU 12 HA GLU 12 -22.218 -15.501 -19.324 78 HB2 GLU 12 HB2 GLU 12 -20.331 -15.146 -20.749 79 HB3 GLU 12 HB3 GLU 12 -20.788 -16.428 -21.652 80 HG2 GLU 12 HG2 GLU 12 -21.530 -14.717 -22.886 81 HG3 GLU 12 HG3 GLU 12 -22.871 -15.115 -22.043 82 H ASN 13 H ASN 13 -21.718 -18.426 -21.182 83 HA ASN 13 HA ASN 13 -24.352 -19.294 -20.884 84 HB2 ASN 13 HB2 ASN 13 -24.600 -17.526 -22.585 85 HB3 ASN 13 HB3 ASN 13 -23.785 -18.514 -23.598 86 HD21 ASN 13 HD21 ASN 13 -27.100 -19.275 -24.568 87 HD22 ASN 13 HD22 ASN 13 -25.796 -18.177 -24.878 88 H SER 14 H SER 14 -24.745 -21.422 -21.946 89 HA SER 14 HA SER 14 -22.245 -22.739 -22.547 90 HB2 SER 14 HB2 SER 14 -23.681 -24.789 -22.134 91 HB3 SER 14 HB3 SER 14 -23.313 -23.891 -20.821 92 HG SER 14 HG SER 14 -25.335 -22.746 -21.388 93 H TRP 15 H TRP 15 -22.016 -24.210 -24.332 94 HA TRP 15 HA TRP 15 -24.167 -24.294 -26.218 95 HB2 TRP 15 HB2 TRP 15 -22.865 -23.590 -28.056 96 HB3 TRP 15 HB3 TRP 15 -23.021 -22.390 -26.958 97 HD1 TRP 15 HD1 TRP 15 -20.787 -22.111 -25.317 98 HE1 TRP 15 HE1 TRP 15 -18.342 -22.118 -25.895 99 HE3 TRP 15 HE3 TRP 15 -21.192 -24.470 -29.686 100 HZ2 TRP 15 HZ2 TRP 15 -16.844 -23.087 -28.063 101 HZ3 TRP 15 HZ3 TRP 15 -19.210 -24.865 -30.978 102 HH2 TRP 15 HH2 TRP 15 -17.058 -24.171 -30.173 103 H SER 16 H SER 16 -23.338 -25.799 -28.223 104 HA SER 16 HA SER 16 -22.793 -28.190 -26.931 105 HB2 SER 16 HB2 SER 16 -22.336 -28.726 -29.533 106 HB3 SER 16 HB3 SER 16 -23.804 -28.826 -28.824 107 HG SER 16 HG SER 16 -23.576 -27.472 -30.728 108 H GLY 17 H GLY 17 -20.975 -28.960 -26.126 109 HA2 GLY 17 HA2 GLY 17 -18.816 -29.655 -26.286 110 HA3 GLY 17 HA3 GLY 17 -18.608 -28.820 -27.673 111 H GLY 18 H GLY 18 -19.840 -26.897 -25.176 112 HA2 GLY 18 HA2 GLY 18 -17.532 -26.136 -23.935 113 HA3 GLY 18 HA3 GLY 18 -17.601 -25.267 -25.316 114 H PHE 19 H PHE 19 -17.438 -23.514 -23.596 115 HA PHE 19 HA PHE 19 -20.086 -22.531 -23.236 116 HB2 PHE 19 HB2 PHE 19 -19.717 -21.973 -20.901 117 HB3 PHE 19 HB3 PHE 19 -19.838 -23.580 -21.163 118 HD1 PHE 19 HD1 PHE 19 -17.990 -25.050 -20.764 119 HD2 PHE 19 HD2 PHE 19 -17.572 -20.967 -20.283 120 HE1 PHE 19 HE1 PHE 19 -15.915 -25.400 -19.639 121 HE2 PHE 19 HE2 PHE 19 -15.460 -21.302 -19.234 122 HZ PHE 19 HZ PHE 19 -14.608 -23.521 -18.954 123 H GLN 20 H GLN 20 -20.058 -20.184 -22.473 124 HA GLN 20 HA GLN 20 -17.614 -18.902 -23.332 125 HB2 GLN 20 HB2 GLN 20 -20.274 -18.283 -23.928 126 HB3 GLN 20 HB3 GLN 20 -19.447 -16.981 -23.392 127 HG2 GLN 20 HG2 GLN 20 -18.039 -17.003 -25.141 128 HG3 GLN 20 HG3 GLN 20 -18.338 -18.573 -25.476 129 HE21 GLN 20 HE21 GLN 20 -21.502 -17.841 -27.102 130 HE22 GLN 20 HE22 GLN 20 -20.939 -18.862 -25.821 131 H GLY 21 H GLY 21 -16.824 -17.091 -22.035 132 HA2 GLY 21 HA2 GLY 21 -18.113 -16.804 -19.493 133 HA3 GLY 21 HA3 GLY 21 -16.608 -17.439 -19.470 134 H SER 22 H SER 22 -17.278 -15.052 -18.138 135 HA SER 22 HA SER 22 -15.538 -13.263 -19.562 136 HB2 SER 22 HB2 SER 22 -17.009 -11.373 -18.969 137 HB3 SER 22 HB3 SER 22 -17.746 -12.404 -20.000 138 HG SER 22 HG SER 22 -19.236 -12.569 -18.611 139 H VAL 23 H VAL 23 -14.384 -11.728 -18.210 140 HA VAL 23 HA VAL 23 -14.621 -12.323 -15.415 141 HB VAL 23 HB VAL 23 -12.214 -12.043 -15.170 142 HG11 VAL 23 HG11 VAL 23 -11.636 -14.238 -15.981 143 HG12 VAL 23 HG12 VAL 23 -12.986 -14.262 -16.871 144 HG13 VAL 23 HG13 VAL 23 -13.081 -14.273 -15.257 145 HG21 VAL 23 HG21 VAL 23 -10.820 -12.202 -17.124 146 HG22 VAL 23 HG22 VAL 23 -11.726 -10.864 -17.192 147 HG23 VAL 23 HG23 VAL 23 -12.134 -12.162 -18.066 148 H GLU 24 H GLU 24 -14.833 -10.619 -14.050 149 HA GLU 24 HA GLU 24 -14.531 -7.996 -15.218 150 HB2 GLU 24 HB2 GLU 24 -16.647 -8.609 -14.166 151 HB3 GLU 24 HB3 GLU 24 -15.859 -8.604 -12.735 152 HG2 GLU 24 HG2 GLU 24 -15.326 -6.294 -13.092 153 HG3 GLU 24 HG3 GLU 24 -16.242 -6.325 -14.444 154 H VAL 25 H VAL 25 -13.061 -6.475 -14.365 155 HA VAL 25 HA VAL 25 -11.366 -7.456 -12.253 156 HB VAL 25 HB VAL 25 -10.450 -6.103 -14.665 157 HG11 VAL 25 HG11 VAL 25 -8.239 -6.363 -13.783 158 HG12 VAL 25 HG12 VAL 25 -8.848 -7.015 -12.435 159 HG13 VAL 25 HG13 VAL 25 -9.127 -5.460 -12.779 160 HG21 VAL 25 HG21 VAL 25 -9.330 -8.155 -15.194 161 HG22 VAL 25 HG22 VAL 25 -10.921 -8.418 -15.077 162 HG23 VAL 25 HG23 VAL 25 -9.940 -8.842 -13.864 163 H MET 26 H MET 26 -11.305 -6.088 -10.508 164 HA MET 26 HA MET 26 -12.496 -3.559 -10.725 165 HB2 MET 26 HB2 MET 26 -12.033 -3.293 -8.451 166 HB3 MET 26 HB3 MET 26 -12.520 -4.834 -8.684 167 HG2 MET 26 HG2 MET 26 -10.379 -5.575 -8.587 168 HG3 MET 26 HG3 MET 26 -9.819 -4.043 -8.499 169 HE1 MET 26 HE1 MET 26 -10.583 -2.822 -5.003 170 HE2 MET 26 HE2 MET 26 -11.248 -2.433 -6.425 171 HE3 MET 26 HE3 MET 26 -9.645 -2.604 -6.302 172 H ASN 27 H ASN 27 -11.509 -1.453 -10.513 173 HA ASN 27 HA ASN 27 -8.694 -1.452 -11.190 174 HB2 ASN 27 HB2 ASN 27 -10.120 -0.416 -12.830 175 HB3 ASN 27 HB3 ASN 27 -10.555 0.690 -11.709 176 HD21 ASN 27 HD21 ASN 27 -8.076 2.430 -13.643 177 HD22 ASN 27 HD22 ASN 27 -9.761 2.027 -13.667 178 H HIS 28 H HIS 28 -7.368 -0.966 -9.476 179 HA HIS 28 HA HIS 28 -8.464 0.278 -7.212 180 HB2 HIS 28 HB2 HIS 28 -6.716 -1.297 -6.920 181 HB3 HIS 28 HB3 HIS 28 -5.694 -0.353 -7.776 182 HD1 HIS 28 HD1 HIS 28 -4.827 1.908 -6.647 183 HD2 HIS 28 HD2 HIS 28 -6.856 -0.700 -4.226 184 HE1 HIS 28 HE1 HIS 28 -4.455 2.592 -4.291 185 HE2 HIS 28 HE2 HIS 28 -5.649 1.021 -2.797 186 H GLY 29 H GLY 29 -6.524 1.303 -9.878 187 HA2 GLY 29 HA2 GLY 29 -6.097 3.884 -8.739 188 HA3 GLY 29 HA3 GLY 29 -5.537 3.364 -10.182 189 H THR 30 H THR 30 -6.672 5.912 -9.847 190 HA THR 30 HA THR 30 -9.177 5.689 -11.216 191 HB THR 30 HB THR 30 -9.040 7.455 -9.576 192 HG1 THR 30 HG1 THR 30 -9.311 8.478 -12.116 193 HG21 THR 30 HG21 THR 30 -7.637 9.343 -9.971 194 HG22 THR 30 HG22 THR 30 -7.047 8.652 -11.308 195 HG23 THR 30 HG23 THR 30 -6.707 8.025 -9.857 196 H GLU 31 H GLU 31 -5.930 5.825 -11.806 197 HA GLU 31 HA GLU 31 -6.299 6.491 -14.594 198 HB2 GLU 31 HB2 GLU 31 -3.818 6.441 -13.111 199 HB3 GLU 31 HB3 GLU 31 -3.961 6.911 -14.669 200 HG2 GLU 31 HG2 GLU 31 -5.323 8.742 -13.918 201 HG3 GLU 31 HG3 GLU 31 -4.968 8.313 -12.382 202 HA PRO 32 HA PRO 32 -5.454 2.215 -15.021 203 HB2 PRO 32 HB2 PRO 32 -5.407 1.862 -17.638 204 HB3 PRO 32 HB3 PRO 32 -6.836 2.226 -16.935 205 HG2 PRO 32 HG2 PRO 32 -5.029 4.020 -18.254 206 HG3 PRO 32 HG3 PRO 32 -6.649 3.933 -18.433 207 HD2 PRO 32 HD2 PRO 32 -5.547 5.723 -16.875 208 HD3 PRO 32 HD3 PRO 32 -7.035 5.129 -16.561 209 H LEU 33 H LEU 33 -3.750 0.875 -14.938 210 HA LEU 33 HA LEU 33 -1.238 1.998 -15.565 211 HB2 LEU 33 HB2 LEU 33 -2.023 -0.561 -14.555 212 HB3 LEU 33 HB3 LEU 33 -0.475 -0.319 -15.016 213 HG LEU 33 HG LEU 33 -0.488 -0.206 -12.747 214 HD11 LEU 33 HD11 LEU 33 0.268 2.027 -12.306 215 HD12 LEU 33 HD12 LEU 33 -0.365 2.517 -13.711 216 HD13 LEU 33 HD13 LEU 33 0.883 1.488 -13.702 217 HD21 LEU 33 HD21 LEU 33 -1.936 1.200 -11.475 218 HD22 LEU 33 HD22 LEU 33 -2.793 0.127 -12.328 219 HD23 LEU 33 HD23 LEU 33 -2.686 1.659 -12.832 220 H ASN 34 H ASN 34 -0.090 1.829 -17.482 221 HA ASN 34 HA ASN 34 -1.115 0.266 -19.581 222 HB2 ASN 34 HB2 ASN 34 0.251 2.227 -19.943 223 HB3 ASN 34 HB3 ASN 34 1.541 1.388 -19.395 224 HD21 ASN 34 HD21 ASN 34 2.204 0.917 -22.827 225 HD22 ASN 34 HD22 ASN 34 2.607 1.871 -21.438 226 H GLY 35 H GLY 35 -0.526 -1.816 -20.294 227 HA2 GLY 35 HA2 GLY 35 0.785 -3.717 -20.149 228 HA3 GLY 35 HA3 GLY 35 1.521 -3.152 -18.805 229 H TRP 36 H TRP 36 -1.736 -2.723 -18.611 230 HA TRP 36 HA TRP 36 -2.210 -4.390 -16.533 231 HB2 TRP 36 HB2 TRP 36 -3.662 -2.558 -17.475 232 HB3 TRP 36 HB3 TRP 36 -4.321 -3.732 -18.400 233 HD1 TRP 36 HD1 TRP 36 -5.586 -5.739 -16.989 234 HE1 TRP 36 HE1 TRP 36 -7.014 -5.666 -14.916 235 HE3 TRP 36 HE3 TRP 36 -4.052 -1.289 -15.328 236 HZ2 TRP 36 HZ2 TRP 36 -7.343 -3.786 -12.833 237 HZ3 TRP 36 HZ3 TRP 36 -4.973 -0.417 -13.303 238 HH2 TRP 36 HH2 TRP 36 -6.570 -1.679 -12.052 239 H ALA 37 H ALA 37 -2.729 -6.544 -16.227 240 HA ALA 37 HA ALA 37 -3.237 -8.059 -18.578 241 HB1 ALA 37 HB1 ALA 37 -0.850 -8.171 -18.274 242 HB2 ALA 37 HB2 ALA 37 -1.485 -9.645 -18.074 243 HB3 ALA 37 HB3 ALA 37 -1.062 -8.766 -16.785 244 H VAL 38 H VAL 38 -4.147 -10.141 -18.352 245 HA VAL 38 HA VAL 38 -5.042 -10.832 -15.695 246 HB VAL 38 HB VAL 38 -6.671 -11.134 -18.101 247 HG11 VAL 38 HG11 VAL 38 -8.365 -12.035 -16.676 248 HG12 VAL 38 HG12 VAL 38 -7.367 -11.936 -15.408 249 HG13 VAL 38 HG13 VAL 38 -7.047 -12.968 -16.611 250 HG21 VAL 38 HG21 VAL 38 -8.140 -9.542 -17.100 251 HG22 VAL 38 HG22 VAL 38 -6.678 -8.882 -17.307 252 HG23 VAL 38 HG23 VAL 38 -7.135 -9.390 -15.842 253 H GLN 39 H GLN 39 -4.215 -12.852 -15.102 254 HA GLN 39 HA GLN 39 -3.523 -14.589 -17.286 255 HB2 GLN 39 HB2 GLN 39 -1.846 -14.870 -15.046 256 HB3 GLN 39 HB3 GLN 39 -1.434 -14.854 -16.626 257 HG2 GLN 39 HG2 GLN 39 -1.563 -12.458 -16.573 258 HG3 GLN 39 HG3 GLN 39 -1.805 -12.549 -14.961 259 HE21 GLN 39 HE21 GLN 39 1.523 -13.001 -14.070 260 HE22 GLN 39 HE22 GLN 39 -0.119 -12.932 -13.524 261 H TRP 40 H TRP 40 -4.143 -16.740 -17.112 262 HA TRP 40 HA TRP 40 -4.541 -17.925 -14.605 263 HB2 TRP 40 HB2 TRP 40 -6.885 -18.383 -14.792 264 HB3 TRP 40 HB3 TRP 40 -6.630 -16.771 -14.717 265 HD1 TRP 40 HD1 TRP 40 -6.746 -15.495 -17.194 266 HE1 TRP 40 HE1 TRP 40 -8.325 -15.824 -19.122 267 HE3 TRP 40 HE3 TRP 40 -8.254 -20.109 -15.998 268 HZ2 TRP 40 HZ2 TRP 40 -10.032 -17.908 -19.919 269 HZ3 TRP 40 HZ3 TRP 40 -9.911 -21.178 -17.369 270 HH2 TRP 40 HH2 TRP 40 -10.793 -20.076 -19.300 271 H GLN 41 H GLN 41 -5.603 -20.239 -14.969 272 HA GLN 41 HA GLN 41 -4.871 -21.259 -17.578 273 HB2 GLN 41 HB2 GLN 41 -3.086 -21.623 -15.932 274 HB3 GLN 41 HB3 GLN 41 -4.113 -22.642 -15.174 275 HG2 GLN 41 HG2 GLN 41 -4.084 -24.099 -16.961 276 HG3 GLN 41 HG3 GLN 41 -3.247 -23.036 -17.875 277 HE21 GLN 41 HE21 GLN 41 -0.515 -25.119 -17.068 278 HE22 GLN 41 HE22 GLN 41 -1.749 -24.858 -18.255 279 HA PRO 42 HA PRO 42 -8.741 -23.108 -16.808 280 HB2 PRO 42 HB2 PRO 42 -9.008 -24.777 -18.849 281 HB3 PRO 42 HB3 PRO 42 -9.087 -23.171 -19.136 282 HG2 PRO 42 HG2 PRO 42 -6.841 -24.896 -19.465 283 HG3 PRO 42 HG3 PRO 42 -7.411 -23.782 -20.515 284 HD2 PRO 42 HD2 PRO 42 -5.397 -23.217 -18.956 285 HD3 PRO 42 HD3 PRO 42 -6.466 -22.056 -19.375 286 H GLY 43 H GLY 43 -9.836 -25.106 -16.243 287 HA2 GLY 43 HA2 GLY 43 -8.110 -26.762 -14.756 288 HA3 GLY 43 HA3 GLY 43 -9.729 -26.928 -14.893 289 H GLY 44 H GLY 44 -8.444 -29.250 -14.828 290 HA2 GLY 44 HA2 GLY 44 -7.527 -30.102 -17.310 291 HA3 GLY 44 HA3 GLY 44 -7.975 -31.073 -16.076 292 H GLY 45 H GLY 45 -8.538 -30.528 -19.170 293 HA2 GLY 45 HA2 GLY 45 -10.230 -31.756 -20.261 294 HA3 GLY 45 HA3 GLY 45 -11.235 -31.536 -18.993 295 H THR 46 H THR 46 -10.220 -28.654 -18.996 296 HA THR 46 HA THR 46 -11.959 -27.734 -21.105 297 HB THR 46 HB THR 46 -11.616 -25.544 -19.662 298 HG1 THR 46 HG1 THR 46 -11.844 -26.839 -17.467 299 HG21 THR 46 HG21 THR 46 -13.708 -26.079 -18.588 300 HG22 THR 46 HG22 THR 46 -13.520 -27.640 -18.964 301 HG23 THR 46 HG23 THR 46 -13.791 -26.554 -20.131 302 H THR 47 H THR 47 -11.270 -26.053 -22.568 303 HA THR 47 HA THR 47 -8.692 -24.946 -22.118 304 HB THR 47 HB THR 47 -8.197 -26.939 -23.432 305 HG1 THR 47 HG1 THR 47 -6.611 -25.998 -24.400 306 HG21 THR 47 HG21 THR 47 -8.779 -26.975 -25.745 307 HG22 THR 47 HG22 THR 47 -9.614 -25.601 -25.573 308 HG23 THR 47 HG23 THR 47 -10.132 -26.957 -24.860 309 H LEU 48 H LEU 48 -8.144 -23.205 -23.798 310 HA LEU 48 HA LEU 48 -10.525 -21.699 -24.147 311 HB2 LEU 48 HB2 LEU 48 -7.739 -21.002 -24.297 312 HB3 LEU 48 HB3 LEU 48 -8.840 -19.958 -24.902 313 HG LEU 48 HG LEU 48 -8.248 -19.214 -22.817 314 HD11 LEU 48 HD11 LEU 48 -10.417 -19.207 -21.707 315 HD12 LEU 48 HD12 LEU 48 -10.894 -20.426 -22.656 316 HD13 LEU 48 HD13 LEU 48 -10.596 -18.972 -23.296 317 HD21 LEU 48 HD21 LEU 48 -8.457 -20.465 -20.796 318 HD22 LEU 48 HD22 LEU 48 -7.371 -21.140 -21.785 319 HD23 LEU 48 HD23 LEU 48 -8.850 -21.780 -21.651 320 H GLY 49 H GLY 49 -11.316 -20.788 -26.086 321 HA2 GLY 49 HA2 GLY 49 -10.086 -21.827 -28.486 322 HA3 GLY 49 HA3 GLY 49 -11.642 -21.343 -28.377 323 H GLY 50 H GLY 50 -12.148 -19.074 -28.093 324 HA2 GLY 50 HA2 GLY 50 -10.040 -17.386 -29.141 325 HA3 GLY 50 HA3 GLY 50 -11.613 -17.193 -29.537 326 H VAL 51 H VAL 51 -9.663 -15.349 -28.234 327 HA VAL 51 HA VAL 51 -11.255 -14.736 -25.911 328 HB VAL 51 HB VAL 51 -8.381 -14.484 -25.955 329 HG11 VAL 51 HG11 VAL 51 -8.551 -13.848 -23.648 330 HG12 VAL 51 HG12 VAL 51 -10.163 -13.908 -23.749 331 HG13 VAL 51 HG13 VAL 51 -9.343 -12.791 -24.581 332 HG21 VAL 51 HG21 VAL 51 -8.347 -16.260 -24.330 333 HG22 VAL 51 HG22 VAL 51 -8.998 -16.783 -25.714 334 HG23 VAL 51 HG23 VAL 51 -9.951 -16.412 -24.462 335 H TRP 52 H TRP 52 -11.779 -12.529 -25.667 336 HA TRP 52 HA TRP 52 -10.629 -10.772 -27.626 337 HB2 TRP 52 HB2 TRP 52 -12.864 -9.775 -27.883 338 HB3 TRP 52 HB3 TRP 52 -12.657 -11.242 -28.570 339 HD1 TRP 52 HD1 TRP 52 -14.546 -9.644 -25.788 340 HE1 TRP 52 HE1 TRP 52 -16.425 -11.083 -24.972 341 HE3 TRP 52 HE3 TRP 52 -13.283 -13.797 -28.256 342 HZ2 TRP 52 HZ2 TRP 52 -17.198 -13.754 -25.429 343 HZ3 TRP 52 HZ3 TRP 52 -14.598 -15.765 -27.964 344 HH2 TRP 52 HH2 TRP 52 -16.565 -15.727 -26.594 345 H ASN 53 H ASN 53 -11.504 -8.413 -27.166 346 HA ASN 53 HA ASN 53 -11.257 -6.674 -25.873 347 HB2 ASN 53 HB2 ASN 53 -11.895 -8.330 -23.566 348 HB3 ASN 53 HB3 ASN 53 -11.951 -6.698 -23.555 349 HD21 ASN 53 HD21 ASN 53 -14.827 -6.603 -25.776 350 HD22 ASN 53 HD22 ASN 53 -13.196 -6.020 -25.831 351 H GLY 54 H GLY 54 -8.927 -8.213 -26.454 352 HA2 GLY 54 HA2 GLY 54 -7.113 -6.622 -25.212 353 HA3 GLY 54 HA3 GLY 54 -7.164 -7.979 -24.304 354 H SER 55 H SER 55 -4.759 -7.539 -25.217 355 HA SER 55 HA SER 55 -4.447 -8.976 -27.680 356 HB2 SER 55 HB2 SER 55 -2.373 -7.821 -26.000 357 HB3 SER 55 HB3 SER 55 -2.146 -8.356 -27.526 358 HG SER 55 HG SER 55 -3.197 -6.689 -28.348 359 H LEU 56 H LEU 56 -3.250 -11.027 -27.827 360 HA LEU 56 HA LEU 56 -3.469 -12.400 -25.303 361 HB2 LEU 56 HB2 LEU 56 -4.091 -13.202 -27.958 362 HB3 LEU 56 HB3 LEU 56 -3.475 -14.385 -27.015 363 HG LEU 56 HG LEU 56 -5.875 -14.403 -27.052 364 HD11 LEU 56 HD11 LEU 56 -6.177 -14.637 -24.673 365 HD12 LEU 56 HD12 LEU 56 -4.770 -13.883 -24.420 366 HD13 LEU 56 HD13 LEU 56 -4.792 -15.335 -25.131 367 HD21 LEU 56 HD21 LEU 56 -7.115 -12.687 -25.949 368 HD22 LEU 56 HD22 LEU 56 -6.332 -12.084 -27.228 369 HD23 LEU 56 HD23 LEU 56 -5.757 -11.836 -25.737 370 H THR 57 H THR 57 -1.957 -13.563 -24.354 371 HA THR 57 HA THR 57 0.350 -14.306 -25.885 372 HB THR 57 HB THR 57 1.734 -13.767 -23.820 373 HG1 THR 57 HG1 THR 57 0.067 -11.742 -23.251 374 HG21 THR 57 HG21 THR 57 2.109 -11.507 -24.559 375 HG22 THR 57 HG22 THR 57 0.723 -11.534 -25.392 376 HG23 THR 57 HG23 THR 57 1.966 -12.457 -25.860 377 H SER 58 H SER 58 1.613 -16.117 -24.700 378 HA SER 58 HA SER 58 0.031 -17.348 -22.641 379 HB2 SER 58 HB2 SER 58 0.511 -18.519 -25.124 380 HB3 SER 58 HB3 SER 58 1.089 -19.475 -23.933 381 HG SER 58 HG SER 58 -1.448 -18.464 -23.806 382 H GLY 59 H GLY 59 1.177 -18.492 -21.010 383 HA2 GLY 59 HA2 GLY 59 3.917 -17.722 -20.849 384 HA3 GLY 59 HA3 GLY 59 3.027 -18.388 -19.652 385 H SER 60 H SER 60 5.634 -19.243 -20.135 386 HA SER 60 HA SER 60 5.647 -21.496 -21.749 387 HB2 SER 60 HB2 SER 60 7.436 -20.876 -19.528 388 HB3 SER 60 HB3 SER 60 7.776 -21.985 -20.677 389 HG SER 60 HG SER 60 8.040 -20.460 -22.167 390 H ASP 61 H ASP 61 4.425 -20.982 -18.668 391 HA ASP 61 HA ASP 61 4.532 -23.704 -17.881 392 HB2 ASP 61 HB2 ASP 61 3.329 -21.434 -16.541 393 HB3 ASP 61 HB3 ASP 61 3.445 -22.915 -15.864 394 H GLY 62 H GLY 62 2.847 -22.439 -20.130 395 HA2 GLY 62 HA2 GLY 62 1.064 -23.439 -21.153 396 HA3 GLY 62 HA3 GLY 62 0.779 -24.357 -19.833 397 H THR 63 H THR 63 1.048 -21.136 -19.058 398 HA THR 63 HA THR 63 -1.721 -21.004 -18.522 399 HB THR 63 HB THR 63 -1.192 -18.867 -17.418 400 HG1 THR 63 HG1 THR 63 1.403 -19.387 -18.207 401 HG21 THR 63 HG21 THR 63 0.203 -19.791 -15.697 402 HG22 THR 63 HG22 THR 63 0.636 -21.003 -16.675 403 HG23 THR 63 HG23 THR 63 -0.883 -20.908 -16.130 404 H VAL 64 H VAL 64 -3.140 -19.169 -19.189 405 HA VAL 64 HA VAL 64 -2.247 -17.994 -21.660 406 HB VAL 64 HB VAL 64 -4.584 -17.505 -22.119 407 HG11 VAL 64 HG11 VAL 64 -5.125 -19.750 -22.767 408 HG12 VAL 64 HG12 VAL 64 -3.947 -20.310 -21.813 409 HG13 VAL 64 HG13 VAL 64 -3.580 -19.425 -23.116 410 HG21 VAL 64 HG21 VAL 64 -6.272 -18.640 -20.836 411 HG22 VAL 64 HG22 VAL 64 -5.467 -17.604 -19.892 412 HG23 VAL 64 HG23 VAL 64 -5.140 -19.185 -19.818 413 H THR 65 H THR 65 -2.414 -15.711 -21.974 414 HA THR 65 HA THR 65 -3.013 -14.205 -19.618 415 HB THR 65 HB THR 65 -0.423 -13.951 -20.964 416 HG1 THR 65 HG1 THR 65 -0.388 -14.413 -18.345 417 HG21 THR 65 HG21 THR 65 0.087 -12.268 -19.328 418 HG22 THR 65 HG22 THR 65 -1.387 -12.422 -18.682 419 HG23 THR 65 HG23 THR 65 -1.214 -11.790 -20.160 420 H VAL 66 H VAL 66 -4.437 -12.661 -20.101 421 HA VAL 66 HA VAL 66 -4.441 -11.534 -22.745 422 HB VAL 66 HB VAL 66 -6.254 -10.796 -20.632 423 HG11 VAL 66 HG11 VAL 66 -7.671 -10.119 -22.456 424 HG12 VAL 66 HG12 VAL 66 -6.544 -10.595 -23.514 425 HG13 VAL 66 HG13 VAL 66 -6.258 -9.336 -22.540 426 HG21 VAL 66 HG21 VAL 66 -7.785 -12.451 -21.458 427 HG22 VAL 66 HG22 VAL 66 -6.443 -13.169 -20.910 428 HG23 VAL 66 HG23 VAL 66 -6.665 -12.976 -22.500 429 H ARG 67 H ARG 67 -3.547 -9.468 -23.163 430 HA ARG 67 HA ARG 67 -2.809 -7.878 -20.901 431 HB2 ARG 67 HB2 ARG 67 -0.563 -7.617 -21.675 432 HB3 ARG 67 HB3 ARG 67 -0.872 -9.183 -21.332 433 HG2 ARG 67 HG2 ARG 67 -0.765 -9.808 -23.480 434 HG3 ARG 67 HG3 ARG 67 -1.205 -8.334 -24.029 435 HD2 ARG 67 HD2 ARG 67 0.983 -7.513 -23.416 436 HD3 ARG 67 HD3 ARG 67 1.408 -9.044 -23.036 437 HE ARG 67 HE ARG 67 0.481 -9.136 -25.606 438 HH11 ARG 67 HH11 ARG 67 3.182 -7.655 -23.883 439 HH12 ARG 67 HH12 ARG 67 4.210 -7.685 -25.277 440 HH21 ARG 67 HH21 ARG 67 1.864 -9.161 -27.357 441 HH22 ARG 67 HH22 ARG 67 3.470 -8.528 -27.218 442 H ASN 68 H ASN 68 -1.829 -5.704 -21.628 443 HA ASN 68 HA ASN 68 -2.100 -3.850 -22.771 444 HB2 ASN 68 HB2 ASN 68 -1.901 -5.698 -24.982 445 HB3 ASN 68 HB3 ASN 68 -2.006 -4.096 -25.282 446 HD21 ASN 68 HD21 ASN 68 1.477 -4.208 -25.455 447 HD22 ASN 68 HD22 ASN 68 0.022 -4.200 -26.394 448 H VAL 69 H VAL 69 -4.248 -3.698 -21.734 449 HA VAL 69 HA VAL 69 -6.535 -4.340 -22.964 450 HB VAL 69 HB VAL 69 -6.038 -2.045 -21.252 451 HG11 VAL 69 HG11 VAL 69 -8.393 -1.834 -20.867 452 HG12 VAL 69 HG12 VAL 69 -8.680 -2.985 -21.966 453 HG13 VAL 69 HG13 VAL 69 -8.057 -1.565 -22.425 454 HG21 VAL 69 HG21 VAL 69 -7.020 -3.424 -19.517 455 HG22 VAL 69 HG22 VAL 69 -5.751 -4.184 -20.170 456 HG23 VAL 69 HG23 VAL 69 -7.253 -4.609 -20.593 457 H ASP 70 H ASP 70 -7.837 -3.673 -24.558 458 HA ASP 70 HA ASP 70 -6.915 -1.423 -26.099 459 HB2 ASP 70 HB2 ASP 70 -7.975 -2.484 -27.967 460 HB3 ASP 70 HB3 ASP 70 -7.003 -3.572 -27.232 461 H HIS 71 H HIS 71 -9.599 -2.759 -24.479 462 HA HIS 71 HA HIS 71 -11.487 -1.076 -25.685 463 HB2 HIS 71 HB2 HIS 71 -13.044 -2.213 -24.122 464 HB3 HIS 71 HB3 HIS 71 -12.226 -3.233 -25.101 465 HD1 HIS 71 HD1 HIS 71 -12.752 -2.400 -21.586 466 HD2 HIS 71 HD2 HIS 71 -10.198 -4.729 -23.773 467 HE1 HIS 71 HE1 HIS 71 -11.677 -4.044 -20.056 468 HE2 HIS 71 HE2 HIS 71 -10.096 -5.433 -21.347 469 H ASN 72 H ASN 72 -9.341 0.049 -23.961 470 HA ASN 72 HA ASN 72 -11.120 1.729 -22.478 471 HB2 ASN 72 HB2 ASN 72 -9.423 2.118 -20.882 472 HB3 ASN 72 HB3 ASN 72 -9.479 0.503 -21.120 473 HD21 ASN 72 HD21 ASN 72 -5.979 2.054 -21.322 474 HD22 ASN 72 HD22 ASN 72 -7.297 2.394 -20.250 475 H ARG 73 H ARG 73 -9.591 1.721 -25.231 476 HA ARG 73 HA ARG 73 -8.117 4.114 -25.062 477 HB2 ARG 73 HB2 ARG 73 -8.784 2.468 -27.358 478 HB3 ARG 73 HB3 ARG 73 -7.788 3.756 -27.478 479 HG2 ARG 73 HG2 ARG 73 -6.166 2.717 -26.183 480 HG3 ARG 73 HG3 ARG 73 -7.191 1.515 -25.768 481 HD2 ARG 73 HD2 ARG 73 -7.205 0.847 -28.127 482 HD3 ARG 73 HD3 ARG 73 -5.986 1.908 -28.365 483 HE ARG 73 HE ARG 73 -5.119 0.353 -26.336 484 HH11 ARG 73 HH11 ARG 73 -3.957 -1.548 -26.557 485 HH12 ARG 73 HH12 ARG 73 -3.878 -2.351 -28.089 486 HH21 ARG 73 HH21 ARG 73 -5.996 -0.115 -29.711 487 HH22 ARG 73 HH22 ARG 73 -5.027 -1.542 -29.867 488 H VAL 74 H VAL 74 -11.305 3.360 -25.870 489 HA VAL 74 HA VAL 74 -11.714 5.913 -27.106 490 HB VAL 74 HB VAL 74 -13.648 3.768 -26.895 491 HG11 VAL 74 HG11 VAL 74 -14.879 4.955 -28.583 492 HG12 VAL 74 HG12 VAL 74 -13.770 6.132 -28.564 493 HG13 VAL 74 HG13 VAL 74 -14.702 5.879 -27.268 494 HG21 VAL 74 HG21 VAL 74 -13.135 3.248 -29.197 495 HG22 VAL 74 HG22 VAL 74 -11.814 3.062 -28.283 496 HG23 VAL 74 HG23 VAL 74 -11.984 4.383 -29.199 497 H VAL 75 H VAL 75 -12.593 3.991 -24.391 498 HA VAL 75 HA VAL 75 -13.782 6.315 -23.160 499 HB VAL 75 HB VAL 75 -14.691 3.588 -22.700 500 HG11 VAL 75 HG11 VAL 75 -16.419 4.536 -21.353 501 HG12 VAL 75 HG12 VAL 75 -15.794 6.010 -21.576 502 HG13 VAL 75 HG13 VAL 75 -14.971 4.902 -20.734 503 HG21 VAL 75 HG21 VAL 75 -16.715 4.266 -23.840 504 HG22 VAL 75 HG22 VAL 75 -15.452 4.432 -24.836 505 HG23 VAL 75 HG23 VAL 75 -16.081 5.730 -24.104 506 HA PRO 76 HA PRO 76 -10.546 5.209 -20.316 507 HB2 PRO 76 HB2 PRO 76 -10.598 7.321 -18.705 508 HB3 PRO 76 HB3 PRO 76 -9.947 7.488 -20.194 509 HG2 PRO 76 HG2 PRO 76 -12.584 8.177 -19.352 510 HG3 PRO 76 HG3 PRO 76 -11.553 9.072 -20.248 511 HD2 PRO 76 HD2 PRO 76 -13.451 7.704 -21.393 512 HD3 PRO 76 HD3 PRO 76 -12.017 7.918 -22.146 513 HA PRO 77 HA PRO 77 -12.933 3.322 -17.438 514 HB2 PRO 77 HB2 PRO 77 -11.262 2.522 -15.500 515 HB3 PRO 77 HB3 PRO 77 -11.159 1.834 -16.977 516 HG2 PRO 77 HG2 PRO 77 -9.567 3.926 -15.900 517 HG3 PRO 77 HG3 PRO 77 -9.078 2.635 -16.772 518 HD2 PRO 77 HD2 PRO 77 -9.379 4.998 -17.885 519 HD3 PRO 77 HD3 PRO 77 -9.597 3.626 -18.743 520 H ASP 78 H ASP 78 -14.395 3.692 -15.911 521 HA ASP 78 HA ASP 78 -13.712 5.702 -13.948 522 HB2 ASP 78 HB2 ASP 78 -16.067 6.238 -13.869 523 HB3 ASP 78 HB3 ASP 78 -15.444 6.495 -15.357 524 H GLY 79 H GLY 79 -13.836 2.570 -14.268 525 HA2 GLY 79 HA2 GLY 79 -14.260 2.012 -11.573 526 HA3 GLY 79 HA3 GLY 79 -15.593 1.598 -12.420 527 H SER 80 H SER 80 -15.576 -0.622 -12.332 528 HA SER 80 HA SER 80 -13.207 -2.043 -12.814 529 HB2 SER 80 HB2 SER 80 -14.892 -3.948 -12.981 530 HB3 SER 80 HB3 SER 80 -14.717 -3.221 -11.529 531 HG SER 80 HG SER 80 -16.451 -1.797 -12.475 532 H VAL 81 H VAL 81 -12.862 -3.611 -14.586 533 HA VAL 81 HA VAL 81 -14.241 -2.839 -17.006 534 HB VAL 81 HB VAL 81 -12.233 -3.174 -18.270 535 HG11 VAL 81 HG11 VAL 81 -11.104 -1.167 -17.621 536 HG12 VAL 81 HG12 VAL 81 -11.911 -1.166 -16.220 537 HG13 VAL 81 HG13 VAL 81 -12.705 -0.941 -17.610 538 HG21 VAL 81 HG21 VAL 81 -10.118 -3.402 -17.134 539 HG22 VAL 81 HG22 VAL 81 -11.066 -4.668 -16.796 540 HG23 VAL 81 HG23 VAL 81 -10.888 -3.480 -15.714 541 H THR 82 H THR 82 -14.284 -4.587 -18.716 542 HA THR 82 HA THR 82 -14.112 -7.124 -17.418 543 HB THR 82 HB THR 82 -16.498 -6.511 -17.624 544 HG1 THR 82 HG1 THR 82 -17.200 -8.443 -18.387 545 HG21 THR 82 HG21 THR 82 -17.474 -6.427 -19.795 546 HG22 THR 82 HG22 THR 82 -16.031 -6.685 -20.477 547 HG23 THR 82 HG23 THR 82 -16.324 -5.295 -19.705 548 H PHE 83 H PHE 83 -13.857 -9.028 -18.698 549 HA PHE 83 HA PHE 83 -12.862 -8.550 -21.372 550 HB2 PHE 83 HB2 PHE 83 -11.639 -10.319 -19.433 551 HB3 PHE 83 HB3 PHE 83 -11.159 -10.210 -20.991 552 HD1 PHE 83 HD1 PHE 83 -9.599 -8.593 -21.668 553 HD2 PHE 83 HD2 PHE 83 -11.289 -8.337 -17.908 554 HE1 PHE 83 HE1 PHE 83 -7.993 -6.916 -21.068 555 HE2 PHE 83 HE2 PHE 83 -9.727 -6.626 -17.318 556 HZ PHE 83 HZ PHE 83 -8.039 -5.950 -18.874 557 H GLY 84 H GLY 84 -13.006 -10.642 -22.749 558 HA2 GLY 84 HA2 GLY 84 -14.759 -12.593 -21.571 559 HA3 GLY 84 HA3 GLY 84 -15.294 -11.832 -22.914 560 H PHE 85 H PHE 85 -15.042 -14.608 -22.676 561 HA PHE 85 HA PHE 85 -13.384 -15.092 -24.888 562 HB2 PHE 85 HB2 PHE 85 -12.070 -16.850 -23.811 563 HB3 PHE 85 HB3 PHE 85 -11.715 -15.358 -23.249 564 HD1 PHE 85 HD1 PHE 85 -12.098 -14.762 -20.973 565 HD2 PHE 85 HD2 PHE 85 -13.364 -18.429 -22.426 566 HE1 PHE 85 HE1 PHE 85 -12.487 -15.522 -18.730 567 HE2 PHE 85 HE2 PHE 85 -13.762 -19.182 -20.194 568 HZ PHE 85 HZ PHE 85 -13.236 -17.764 -18.349 569 H THR 86 H THR 86 -13.477 -17.400 -25.684 570 HA THR 86 HA THR 86 -15.804 -18.757 -24.657 571 HB THR 86 HB THR 86 -16.224 -18.071 -26.933 572 HG1 THR 86 HG1 THR 86 -17.438 -19.731 -26.771 573 HG21 THR 86 HG21 THR 86 -14.996 -19.083 -28.728 574 HG22 THR 86 HG22 THR 86 -14.043 -19.849 -27.670 575 HG23 THR 86 HG23 THR 86 -13.966 -18.240 -27.811 576 H ALA 87 H ALA 87 -15.669 -21.084 -24.473 577 HA ALA 87 HA ALA 87 -12.967 -22.092 -24.547 578 HB1 ALA 87 HB1 ALA 87 -13.445 -21.496 -22.278 579 HB2 ALA 87 HB2 ALA 87 -13.337 -23.106 -22.382 580 HB3 ALA 87 HB3 ALA 87 -14.788 -22.397 -22.307 581 H THR 88 H THR 88 -12.791 -24.448 -24.656 582 HA THR 88 HA THR 88 -15.265 -25.734 -25.412 583 HB THR 88 HB THR 88 -13.851 -27.313 -26.745 584 HG1 THR 88 HG1 THR 88 -11.960 -26.253 -25.574 585 HG21 THR 88 HG21 THR 88 -13.710 -25.847 -28.622 586 HG22 THR 88 HG22 THR 88 -13.876 -24.560 -27.657 587 HG23 THR 88 HG23 THR 88 -15.114 -25.579 -27.867 588 H SER 89 H SER 89 -15.347 -28.110 -24.806 589 HA SER 89 HA SER 89 -13.653 -28.732 -22.609 590 HB2 SER 89 HB2 SER 89 -15.396 -27.447 -21.537 591 HB3 SER 89 HB3 SER 89 -16.529 -28.426 -22.190 592 HG SER 89 HG SER 89 -15.542 -28.688 -19.921 593 H THR 90 H THR 90 -13.523 -30.868 -21.965 594 HA THR 90 HA THR 90 -14.681 -32.686 -23.766 595 HB THR 90 HB THR 90 -13.429 -34.408 -22.504 596 HG1 THR 90 HG1 THR 90 -13.658 -33.211 -20.519 597 HG21 THR 90 HG21 THR 90 -11.226 -33.608 -23.058 598 HG22 THR 90 HG22 THR 90 -11.791 -32.099 -23.192 599 HG23 THR 90 HG23 THR 90 -12.230 -33.225 -24.266 600 H GLY 91 H GLY 91 -15.816 -31.194 -21.164 601 HA2 GLY 91 HA2 GLY 91 -17.999 -31.860 -20.404 602 HA3 GLY 91 HA3 GLY 91 -17.482 -33.408 -20.339 603 H ASN 92 H ASN 92 -14.878 -32.045 -19.329 604 HA ASN 92 HA ASN 92 -15.635 -32.048 -16.555 605 HB2 ASN 92 HB2 ASN 92 -13.055 -32.205 -17.817 606 HB3 ASN 92 HB3 ASN 92 -13.202 -32.028 -16.200 607 HD21 ASN 92 HD21 ASN 92 -13.071 -35.618 -17.610 608 HD22 ASN 92 HD22 ASN 92 -12.476 -34.184 -18.378 609 H ASP 93 H ASP 93 -16.633 -30.041 -16.244 610 HA ASP 93 HA ASP 93 -15.162 -27.772 -17.160 611 HB2 ASP 93 HB2 ASP 93 -17.914 -27.904 -16.206 612 HB3 ASP 93 HB3 ASP 93 -17.253 -26.564 -16.867 613 H PHE 94 H PHE 94 -14.834 -29.374 -14.563 614 HA PHE 94 HA PHE 94 -15.521 -27.706 -12.502 615 HB2 PHE 94 HB2 PHE 94 -13.393 -29.678 -12.506 616 HB3 PHE 94 HB3 PHE 94 -14.100 -29.099 -11.153 617 HD1 PHE 94 HD1 PHE 94 -16.633 -29.557 -10.879 618 HD2 PHE 94 HD2 PHE 94 -14.151 -31.690 -13.419 619 HE1 PHE 94 HE1 PHE 94 -18.210 -31.360 -10.919 620 HE2 PHE 94 HE2 PHE 94 -15.727 -33.481 -13.471 621 HZ PHE 94 HZ PHE 94 -17.785 -33.291 -12.262 622 HA PRO 95 HA PRO 95 -12.067 -24.925 -12.527 623 HB2 PRO 95 HB2 PRO 95 -12.724 -23.357 -10.514 624 HB3 PRO 95 HB3 PRO 95 -13.575 -23.218 -11.901 625 HG2 PRO 95 HG2 PRO 95 -14.287 -24.658 -9.546 626 HG3 PRO 95 HG3 PRO 95 -15.234 -23.676 -10.445 627 HD2 PRO 95 HD2 PRO 95 -15.306 -26.299 -10.705 628 HD3 PRO 95 HD3 PRO 95 -15.691 -25.302 -11.940 629 H VAL 96 H VAL 96 -10.230 -24.399 -11.204 630 HA VAL 96 HA VAL 96 -9.954 -26.402 -9.173 631 HB VAL 96 HB VAL 96 -7.776 -25.601 -10.909 632 HG11 VAL 96 HG11 VAL 96 -6.601 -27.503 -10.022 633 HG12 VAL 96 HG12 VAL 96 -7.853 -27.826 -9.051 634 HG13 VAL 96 HG13 VAL 96 -6.984 -26.480 -8.830 635 HG21 VAL 96 HG21 VAL 96 -8.069 -27.704 -12.060 636 HG22 VAL 96 HG22 VAL 96 -9.404 -26.804 -12.204 637 HG23 VAL 96 HG23 VAL 96 -9.363 -28.025 -11.145 638 H ASP 97 H ASP 97 -9.027 -23.255 -10.260 639 HA ASP 97 HA ASP 97 -8.644 -22.467 -7.548 640 HB2 ASP 97 HB2 ASP 97 -6.440 -22.978 -8.463 641 HB3 ASP 97 HB3 ASP 97 -6.647 -21.732 -9.497 642 H SER 98 H SER 98 -8.373 -19.993 -7.343 643 HA SER 98 HA SER 98 -10.564 -18.897 -8.697 644 HB2 SER 98 HB2 SER 98 -8.704 -17.592 -6.872 645 HB3 SER 98 HB3 SER 98 -10.114 -16.917 -7.348 646 HG SER 98 HG SER 98 -11.206 -18.646 -6.395 647 H ILE 99 H ILE 99 -10.652 -16.904 -9.933 648 HA ILE 99 HA ILE 99 -8.525 -16.776 -11.819 649 HB ILE 99 HB ILE 99 -11.147 -16.381 -12.062 650 HG12 ILE 99 HG12 ILE 99 -10.342 -15.472 -14.341 651 HG13 ILE 99 HG13 ILE 99 -8.922 -16.073 -13.802 652 HG21 ILE 99 HG21 ILE 99 -11.456 -14.141 -12.801 653 HG22 ILE 99 HG22 ILE 99 -9.939 -13.783 -12.373 654 HG23 ILE 99 HG23 ILE 99 -11.030 -14.164 -11.242 655 HD11 ILE 99 HD11 ILE 99 -10.053 -17.717 -15.130 656 HD12 ILE 99 HD12 ILE 99 -11.331 -17.652 -14.141 657 HD13 ILE 99 HD13 ILE 99 -9.925 -18.246 -13.608 658 H GLY 100 H GLY 100 -7.209 -14.909 -12.256 659 HA2 GLY 100 HA2 GLY 100 -7.328 -12.884 -10.219 660 HA3 GLY 100 HA3 GLY 100 -5.935 -13.721 -10.384 661 H CYS 101 H CYS 101 -5.623 -11.125 -10.601 662 HA CYS 101 HA CYS 101 -5.120 -10.689 -13.394 663 HB2 CYS 101 HB2 CYS 101 -6.098 -8.570 -13.369 664 HB3 CYS 101 HB3 CYS 101 -7.206 -9.742 -13.111 665 H VAL 102 H VAL 102 -3.620 -8.799 -13.740 666 HA VAL 102 HA VAL 102 -2.472 -7.858 -11.337 667 HB VAL 102 HB VAL 102 -0.183 -8.160 -12.641 668 HG11 VAL 102 HG11 VAL 102 0.285 -10.045 -11.233 669 HG12 VAL 102 HG12 VAL 102 -1.291 -10.191 -10.901 670 HG13 VAL 102 HG13 VAL 102 -0.475 -8.892 -10.390 671 HG21 VAL 102 HG21 VAL 102 -0.116 -10.307 -13.710 672 HG22 VAL 102 HG22 VAL 102 -1.153 -9.335 -14.480 673 HG23 VAL 102 HG23 VAL 102 -1.707 -10.478 -13.480 674 H ALA 103 H ALA 103 -1.625 -5.741 -11.409 675 HA ALA 103 HA ALA 103 -1.172 -4.613 -14.063 676 HB1 ALA 103 HB1 ALA 103 -2.990 -3.456 -13.108 677 HB2 ALA 103 HB2 ALA 103 -1.712 -2.466 -13.139 678 HB3 ALA 103 HB3 ALA 103 -2.146 -3.182 -11.756 679 HA PRO 104 HA PRO 104 2.846 -4.499 -12.411 680 HB2 PRO 104 HB2 PRO 104 4.070 -2.561 -13.784 681 HB3 PRO 104 HB3 PRO 104 3.735 -3.984 -14.512 682 HG2 PRO 104 HG2 PRO 104 2.251 -1.548 -14.663 683 HG3 PRO 104 HG3 PRO 104 2.624 -2.570 -15.880 684 HD2 PRO 104 HD2 PRO 104 0.263 -2.629 -14.777 685 HD3 PRO 104 HD3 PRO 104 0.944 -3.999 -15.349 Start of MODEL 6 1 H1 HIS 1 H1 HIS 1 -3.186 -0.521 2.125 2 H2 HIS 1 H2 HIS 1 -4.051 -0.650 0.766 3 H3 HIS 1 H3 HIS 1 -2.443 -0.499 0.689 4 HA HIS 1 HA HIS 1 -2.174 -2.590 1.697 5 HB2 HIS 1 HB2 HIS 1 -5.033 -2.487 1.897 6 HB3 HIS 1 HB3 HIS 1 -4.341 -3.959 1.754 7 HD1 HIS 1 HD1 HIS 1 -5.931 -3.463 4.254 8 HD2 HIS 1 HD2 HIS 1 -1.922 -2.697 3.926 9 HE1 HIS 1 HE1 HIS 1 -4.954 -3.422 6.539 10 HE2 HIS 1 HE2 HIS 1 -2.530 -2.955 6.372 11 H THR 2 H THR 2 -1.618 -4.270 0.365 12 HA THR 2 HA THR 2 -1.234 -5.207 -1.540 13 HB THR 2 HB THR 2 -2.963 -5.871 -3.030 14 HG1 THR 2 HG1 THR 2 -3.678 -3.479 -2.958 15 HG21 THR 2 HG21 THR 2 -4.713 -6.533 -1.535 16 HG22 THR 2 HG22 THR 2 -4.200 -5.467 -0.432 17 HG23 THR 2 HG23 THR 2 -3.293 -6.755 -0.795 18 H GLY 3 H GLY 3 -1.018 -4.960 -4.044 19 HA2 GLY 3 HA2 GLY 3 -0.879 -2.186 -4.771 20 HA3 GLY 3 HA3 GLY 3 0.521 -3.028 -4.769 21 H SER 4 H SER 4 -2.480 -4.434 -5.635 22 HA SER 4 HA SER 4 -1.961 -4.201 -8.433 23 HB2 SER 4 HB2 SER 4 -0.801 -6.260 -7.723 24 HB3 SER 4 HB3 SER 4 -2.270 -6.886 -7.382 25 HG SER 4 HG SER 4 -1.933 -7.573 -9.355 26 H CYS 5 H CYS 5 -3.837 -5.314 -9.708 27 HA CYS 5 HA CYS 5 -6.270 -4.534 -8.545 28 HB2 CYS 5 HB2 CYS 5 -7.195 -5.531 -10.555 29 HB3 CYS 5 HB3 CYS 5 -6.196 -4.254 -10.753 30 H MET 6 H MET 6 -8.220 -5.968 -8.407 31 HA MET 6 HA MET 6 -7.594 -8.764 -8.012 32 HB2 MET 6 HB2 MET 6 -9.231 -8.704 -6.145 33 HB3 MET 6 HB3 MET 6 -7.663 -8.347 -5.863 34 HG2 MET 6 HG2 MET 6 -8.452 -6.015 -6.252 35 HG3 MET 6 HG3 MET 6 -9.902 -6.651 -5.854 36 HE1 MET 6 HE1 MET 6 -6.308 -6.247 -3.118 37 HE2 MET 6 HE2 MET 6 -6.486 -5.501 -4.541 38 HE3 MET 6 HE3 MET 6 -6.254 -7.101 -4.490 39 H ALA 7 H ALA 7 -9.464 -10.166 -8.541 40 HA ALA 7 HA ALA 7 -11.197 -8.749 -10.326 41 HB1 ALA 7 HB1 ALA 7 -9.246 -9.465 -11.610 42 HB2 ALA 7 HB2 ALA 7 -10.558 -10.231 -12.163 43 HB3 ALA 7 HB3 ALA 7 -9.528 -10.998 -11.181 44 H VAL 8 H VAL 8 -12.836 -10.179 -11.488 45 HA VAL 8 HA VAL 8 -13.602 -12.361 -9.804 46 HB VAL 8 HB VAL 8 -15.720 -10.881 -11.084 47 HG11 VAL 8 HG11 VAL 8 -17.036 -11.704 -9.238 48 HG12 VAL 8 HG12 VAL 8 -15.716 -12.384 -8.598 49 HG13 VAL 8 HG13 VAL 8 -16.315 -12.938 -9.994 50 HG21 VAL 8 HG21 VAL 8 -15.975 -9.434 -9.194 51 HG22 VAL 8 HG22 VAL 8 -14.545 -9.176 -9.904 52 HG23 VAL 8 HG23 VAL 8 -14.627 -10.042 -8.541 53 H TYR 9 H TYR 9 -14.541 -14.215 -10.894 54 HA TYR 9 HA TYR 9 -14.272 -14.110 -13.767 55 HB2 TYR 9 HB2 TYR 9 -12.721 -15.625 -12.878 56 HB3 TYR 9 HB3 TYR 9 -13.868 -16.322 -11.947 57 HD1 TYR 9 HD1 TYR 9 -15.355 -18.016 -12.853 58 HD2 TYR 9 HD2 TYR 9 -12.551 -16.178 -15.273 59 HE1 TYR 9 HE1 TYR 9 -15.704 -19.684 -14.525 60 HE2 TYR 9 HE2 TYR 9 -12.886 -17.863 -16.934 61 HH TYR 9 HH TYR 9 -14.539 -20.738 -16.398 62 H SER 10 H SER 10 -15.948 -14.686 -15.109 63 HA SER 10 HA SER 10 -18.257 -15.802 -13.837 64 HB2 SER 10 HB2 SER 10 -19.542 -14.201 -15.414 65 HB3 SER 10 HB3 SER 10 -18.976 -13.604 -14.002 66 HG SER 10 HG SER 10 -17.069 -13.447 -15.754 67 H VAL 11 H VAL 11 -19.722 -17.069 -15.100 68 HA VAL 11 HA VAL 11 -18.654 -17.810 -17.672 69 HB VAL 11 HB VAL 11 -20.579 -19.284 -16.076 70 HG11 VAL 11 HG11 VAL 11 -20.353 -21.058 -17.674 71 HG12 VAL 11 HG12 VAL 11 -19.379 -20.132 -18.572 72 HG13 VAL 11 HG13 VAL 11 -20.936 -19.734 -18.397 73 HG21 VAL 11 HG21 VAL 11 -18.789 -20.857 -15.712 74 HG22 VAL 11 HG22 VAL 11 -18.367 -19.404 -15.141 75 HG23 VAL 11 HG23 VAL 11 -17.785 -19.916 -16.560 76 H GLU 12 H GLU 12 -19.879 -17.518 -19.586 77 HA GLU 12 HA GLU 12 -22.120 -15.794 -19.281 78 HB2 GLU 12 HB2 GLU 12 -20.526 -15.323 -20.989 79 HB3 GLU 12 HB3 GLU 12 -20.832 -16.768 -21.686 80 HG2 GLU 12 HG2 GLU 12 -21.923 -15.259 -22.993 81 HG3 GLU 12 HG3 GLU 12 -23.100 -15.940 -22.088 82 H ASN 13 H ASN 13 -21.550 -18.734 -21.101 83 HA ASN 13 HA ASN 13 -23.963 -19.912 -20.318 84 HB2 ASN 13 HB2 ASN 13 -24.793 -18.321 -21.962 85 HB3 ASN 13 HB3 ASN 13 -23.893 -19.081 -23.092 86 HD21 ASN 13 HD21 ASN 13 -26.776 -20.809 -23.960 87 HD22 ASN 13 HD22 ASN 13 -25.659 -19.569 -24.424 88 H SER 14 H SER 14 -24.241 -22.113 -21.250 89 HA SER 14 HA SER 14 -21.878 -23.035 -22.606 90 HB2 SER 14 HB2 SER 14 -21.908 -25.061 -21.255 91 HB3 SER 14 HB3 SER 14 -21.735 -23.752 -20.294 92 HG SER 14 HG SER 14 -24.241 -24.692 -20.828 93 H TRP 15 H TRP 15 -22.119 -24.863 -24.031 94 HA TRP 15 HA TRP 15 -24.749 -25.811 -24.500 95 HB2 TRP 15 HB2 TRP 15 -24.738 -25.100 -26.844 96 HB3 TRP 15 HB3 TRP 15 -24.900 -23.859 -25.795 97 HD1 TRP 15 HD1 TRP 15 -22.418 -25.255 -28.182 98 HE1 TRP 15 HE1 TRP 15 -20.575 -23.633 -28.715 99 HE3 TRP 15 HE3 TRP 15 -23.690 -21.743 -24.872 100 HZ2 TRP 15 HZ2 TRP 15 -19.832 -21.115 -27.712 101 HZ3 TRP 15 HZ3 TRP 15 -22.374 -19.745 -24.735 102 HH2 TRP 15 HH2 TRP 15 -20.469 -19.437 -26.152 103 H SER 16 H SER 16 -24.739 -27.393 -26.492 104 HA SER 16 HA SER 16 -22.616 -29.145 -26.175 105 HB2 SER 16 HB2 SER 16 -23.561 -30.093 -28.354 106 HB3 SER 16 HB3 SER 16 -24.491 -30.177 -27.014 107 HG SER 16 HG SER 16 -24.710 -27.911 -28.467 108 H GLY 17 H GLY 17 -20.560 -28.962 -26.827 109 HA2 GLY 17 HA2 GLY 17 -19.148 -28.772 -28.739 110 HA3 GLY 17 HA3 GLY 17 -20.092 -27.568 -29.310 111 H GLY 18 H GLY 18 -20.088 -26.587 -26.343 112 HA2 GLY 18 HA2 GLY 18 -17.681 -25.946 -25.463 113 HA3 GLY 18 HA3 GLY 18 -17.837 -24.890 -26.699 114 H PHE 19 H PHE 19 -17.408 -23.470 -24.674 115 HA PHE 19 HA PHE 19 -19.958 -22.420 -23.974 116 HB2 PHE 19 HB2 PHE 19 -19.569 -22.394 -21.637 117 HB3 PHE 19 HB3 PHE 19 -19.493 -23.935 -22.174 118 HD1 PHE 19 HD1 PHE 19 -17.443 -25.187 -22.081 119 HD2 PHE 19 HD2 PHE 19 -17.559 -21.238 -20.870 120 HE1 PHE 19 HE1 PHE 19 -15.327 -25.455 -21.013 121 HE2 PHE 19 HE2 PHE 19 -15.436 -21.497 -19.807 122 HZ PHE 19 HZ PHE 19 -14.321 -23.615 -19.868 123 H GLN 20 H GLN 20 -19.791 -20.266 -22.806 124 HA GLN 20 HA GLN 20 -17.379 -18.944 -23.662 125 HB2 GLN 20 HB2 GLN 20 -19.989 -18.270 -24.207 126 HB3 GLN 20 HB3 GLN 20 -19.314 -17.052 -23.355 127 HG2 GLN 20 HG2 GLN 20 -17.662 -16.777 -24.969 128 HG3 GLN 20 HG3 GLN 20 -18.195 -18.087 -25.785 129 HE21 GLN 20 HE21 GLN 20 -19.559 -14.561 -26.785 130 HE22 GLN 20 HE22 GLN 20 -18.118 -14.872 -25.875 131 H GLY 21 H GLY 21 -16.370 -17.415 -22.302 132 HA2 GLY 21 HA2 GLY 21 -17.486 -17.238 -19.642 133 HA3 GLY 21 HA3 GLY 21 -15.929 -17.691 -19.837 134 H SER 22 H SER 22 -16.480 -15.519 -18.287 135 HA SER 22 HA SER 22 -15.368 -13.382 -19.822 136 HB2 SER 22 HB2 SER 22 -17.101 -11.842 -18.858 137 HB3 SER 22 HB3 SER 22 -17.628 -12.814 -20.060 138 HG SER 22 HG SER 22 -19.054 -13.467 -18.753 139 H VAL 23 H VAL 23 -14.472 -11.614 -18.512 140 HA VAL 23 HA VAL 23 -14.127 -12.370 -15.781 141 HB VAL 23 HB VAL 23 -11.795 -11.306 -17.104 142 HG11 VAL 23 HG11 VAL 23 -10.611 -12.543 -15.420 143 HG12 VAL 23 HG12 VAL 23 -12.010 -13.143 -14.874 144 HG13 VAL 23 HG13 VAL 23 -11.695 -11.564 -14.728 145 HG21 VAL 23 HG21 VAL 23 -11.016 -13.493 -17.705 146 HG22 VAL 23 HG22 VAL 23 -12.377 -13.151 -18.508 147 HG23 VAL 23 HG23 VAL 23 -12.421 -14.132 -17.224 148 H GLU 24 H GLU 24 -14.389 -10.661 -14.343 149 HA GLU 24 HA GLU 24 -14.387 -8.025 -15.483 150 HB2 GLU 24 HB2 GLU 24 -16.290 -8.698 -14.133 151 HB3 GLU 24 HB3 GLU 24 -15.297 -8.729 -12.836 152 HG2 GLU 24 HG2 GLU 24 -14.863 -6.328 -13.449 153 HG3 GLU 24 HG3 GLU 24 -16.288 -6.456 -14.237 154 H VAL 25 H VAL 25 -12.878 -6.456 -14.894 155 HA VAL 25 HA VAL 25 -10.946 -7.274 -12.919 156 HB VAL 25 HB VAL 25 -10.344 -5.769 -15.340 157 HG11 VAL 25 HG11 VAL 25 -8.046 -5.922 -14.715 158 HG12 VAL 25 HG12 VAL 25 -8.460 -6.662 -13.338 159 HG13 VAL 25 HG13 VAL 25 -8.873 -5.118 -13.582 160 HG21 VAL 25 HG21 VAL 25 -9.170 -7.727 -16.067 161 HG22 VAL 25 HG22 VAL 25 -10.731 -8.077 -15.828 162 HG23 VAL 25 HG23 VAL 25 -9.628 -8.506 -14.726 163 H MET 26 H MET 26 -10.743 -5.918 -11.190 164 HA MET 26 HA MET 26 -11.925 -3.307 -11.502 165 HB2 MET 26 HB2 MET 26 -12.971 -3.828 -9.659 166 HB3 MET 26 HB3 MET 26 -12.070 -5.180 -9.490 167 HG2 MET 26 HG2 MET 26 -10.482 -4.039 -8.314 168 HG3 MET 26 HG3 MET 26 -11.244 -2.622 -8.589 169 HE1 MET 26 HE1 MET 26 -13.047 -5.906 -6.030 170 HE2 MET 26 HE2 MET 26 -11.616 -6.055 -6.767 171 HE3 MET 26 HE3 MET 26 -12.971 -5.962 -7.644 172 H ASN 27 H ASN 27 -10.766 -1.466 -11.461 173 HA ASN 27 HA ASN 27 -7.981 -1.598 -11.070 174 HB2 ASN 27 HB2 ASN 27 -9.761 0.359 -11.935 175 HB3 ASN 27 HB3 ASN 27 -8.593 0.991 -10.986 176 HD21 ASN 27 HD21 ASN 27 -7.832 0.373 -14.768 177 HD22 ASN 27 HD22 ASN 27 -9.397 0.536 -14.044 178 H HIS 28 H HIS 28 -7.284 -2.126 -9.020 179 HA HIS 28 HA HIS 28 -8.838 -1.218 -6.835 180 HB2 HIS 28 HB2 HIS 28 -7.886 -3.487 -6.972 181 HB3 HIS 28 HB3 HIS 28 -6.425 -2.819 -6.677 182 HD1 HIS 28 HD1 HIS 28 -5.693 -2.492 -4.282 183 HD2 HIS 28 HD2 HIS 28 -9.684 -3.283 -4.716 184 HE1 HIS 28 HE1 HIS 28 -6.684 -2.758 -2.019 185 HE2 HIS 28 HE2 HIS 28 -9.101 -3.239 -2.250 186 H GLY 29 H GLY 29 -6.199 -0.101 -8.476 187 HA2 GLY 29 HA2 GLY 29 -4.989 1.243 -6.277 188 HA3 GLY 29 HA3 GLY 29 -4.534 1.347 -7.842 189 H THR 30 H THR 30 -4.659 3.624 -6.221 190 HA THR 30 HA THR 30 -7.041 4.961 -6.977 191 HB THR 30 HB THR 30 -6.014 5.546 -4.857 192 HG1 THR 30 HG1 THR 30 -5.833 7.947 -5.856 193 HG21 THR 30 HG21 THR 30 -4.032 6.888 -4.843 194 HG22 THR 30 HG22 THR 30 -3.928 6.784 -6.454 195 HG23 THR 30 HG23 THR 30 -3.692 5.470 -5.542 196 H GLU 31 H GLU 31 -4.136 4.236 -8.312 197 HA GLU 31 HA GLU 31 -4.326 6.305 -10.326 198 HB2 GLU 31 HB2 GLU 31 -2.035 4.628 -9.808 199 HB3 GLU 31 HB3 GLU 31 -2.061 5.927 -10.798 200 HG2 GLU 31 HG2 GLU 31 -2.381 7.332 -8.907 201 HG3 GLU 31 HG3 GLU 31 -2.284 6.022 -7.937 202 HA PRO 32 HA PRO 32 -5.601 3.019 -12.857 203 HB2 PRO 32 HB2 PRO 32 -5.301 3.989 -15.332 204 HB3 PRO 32 HB3 PRO 32 -6.470 4.612 -14.377 205 HG2 PRO 32 HG2 PRO 32 -3.856 5.652 -14.845 206 HG3 PRO 32 HG3 PRO 32 -5.274 6.463 -14.855 207 HD2 PRO 32 HD2 PRO 32 -3.739 6.517 -12.751 208 HD3 PRO 32 HD3 PRO 32 -5.364 6.564 -12.587 209 H LEU 33 H LEU 33 -4.943 1.132 -13.633 210 HA LEU 33 HA LEU 33 -2.179 0.783 -13.760 211 HB2 LEU 33 HB2 LEU 33 -4.363 -1.023 -14.306 212 HB3 LEU 33 HB3 LEU 33 -2.815 -1.519 -14.459 213 HG LEU 33 HG LEU 33 -3.909 -0.615 -11.958 214 HD11 LEU 33 HD11 LEU 33 -4.083 -2.944 -11.366 215 HD12 LEU 33 HD12 LEU 33 -3.604 -3.360 -12.853 216 HD13 LEU 33 HD13 LEU 33 -5.030 -2.630 -12.638 217 HD21 LEU 33 HD21 LEU 33 -1.967 -1.627 -10.998 218 HD22 LEU 33 HD22 LEU 33 -1.528 -0.480 -12.050 219 HD23 LEU 33 HD23 LEU 33 -1.444 -2.039 -12.471 220 H ASN 34 H ASN 34 -0.762 0.751 -15.466 221 HA ASN 34 HA ASN 34 -1.949 0.667 -18.090 222 HB2 ASN 34 HB2 ASN 34 -0.617 2.642 -17.622 223 HB3 ASN 34 HB3 ASN 34 0.691 1.677 -17.463 224 HD21 ASN 34 HD21 ASN 34 1.308 2.744 -20.762 225 HD22 ASN 34 HD22 ASN 34 1.641 3.115 -19.103 226 H GLY 35 H GLY 35 -1.547 -1.070 -19.453 227 HA2 GLY 35 HA2 GLY 35 -0.317 -2.757 -20.298 228 HA3 GLY 35 HA3 GLY 35 0.956 -2.298 -19.383 229 H TRP 36 H TRP 36 -1.852 -2.992 -17.670 230 HA TRP 36 HA TRP 36 -0.574 -5.052 -16.283 231 HB2 TRP 36 HB2 TRP 36 -2.422 -5.036 -14.868 232 HB3 TRP 36 HB3 TRP 36 -2.246 -3.484 -15.345 233 HD1 TRP 36 HD1 TRP 36 -4.686 -6.187 -15.403 234 HE1 TRP 36 HE1 TRP 36 -6.828 -5.609 -16.577 235 HE3 TRP 36 HE3 TRP 36 -3.190 -1.843 -17.353 236 HZ2 TRP 36 HZ2 TRP 36 -7.668 -3.459 -18.172 237 HZ3 TRP 36 HZ3 TRP 36 -4.714 -0.601 -18.724 238 HH2 TRP 36 HH2 TRP 36 -6.934 -1.406 -19.121 239 H ALA 37 H ALA 37 -1.500 -7.262 -15.885 240 HA ALA 37 HA ALA 37 -2.852 -8.236 -18.221 241 HB1 ALA 37 HB1 ALA 37 -0.506 -8.742 -18.506 242 HB2 ALA 37 HB2 ALA 37 -1.333 -10.123 -18.350 243 HB3 ALA 37 HB3 ALA 37 -0.499 -9.533 -17.096 244 H VAL 38 H VAL 38 -4.330 -9.870 -18.001 245 HA VAL 38 HA VAL 38 -4.942 -10.597 -15.303 246 HB VAL 38 HB VAL 38 -6.611 -11.054 -17.650 247 HG11 VAL 38 HG11 VAL 38 -8.410 -11.346 -16.097 248 HG12 VAL 38 HG12 VAL 38 -7.389 -11.120 -14.863 249 HG13 VAL 38 HG13 VAL 38 -7.245 -12.429 -15.802 250 HG21 VAL 38 HG21 VAL 38 -7.842 -9.090 -17.052 251 HG22 VAL 38 HG22 VAL 38 -6.308 -8.702 -17.383 252 HG23 VAL 38 HG23 VAL 38 -6.804 -8.799 -15.847 253 H GLN 39 H GLN 39 -4.488 -12.677 -14.548 254 HA GLN 39 HA GLN 39 -3.669 -14.525 -16.585 255 HB2 GLN 39 HB2 GLN 39 -2.902 -14.692 -13.800 256 HB3 GLN 39 HB3 GLN 39 -2.208 -15.512 -15.030 257 HG2 GLN 39 HG2 GLN 39 -1.251 -13.525 -15.844 258 HG3 GLN 39 HG3 GLN 39 -1.991 -12.668 -14.666 259 HE21 GLN 39 HE21 GLN 39 1.581 -14.218 -14.018 260 HE22 GLN 39 HE22 GLN 39 0.816 -14.120 -15.570 261 H TRP 40 H TRP 40 -4.307 -16.705 -16.589 262 HA TRP 40 HA TRP 40 -5.871 -17.764 -14.540 263 HB2 TRP 40 HB2 TRP 40 -7.943 -17.998 -15.713 264 HB3 TRP 40 HB3 TRP 40 -7.582 -16.419 -15.501 265 HD1 TRP 40 HD1 TRP 40 -6.428 -15.248 -17.798 266 HE1 TRP 40 HE1 TRP 40 -7.118 -15.430 -20.208 267 HE3 TRP 40 HE3 TRP 40 -9.006 -19.501 -17.396 268 HZ2 TRP 40 HZ2 TRP 40 -8.698 -17.245 -21.659 269 HZ3 TRP 40 HZ3 TRP 40 -10.099 -20.387 -19.336 270 HH2 TRP 40 HH2 TRP 40 -9.954 -19.254 -21.442 271 H GLN 41 H GLN 41 -6.717 -20.008 -15.091 272 HA GLN 41 HA GLN 41 -5.190 -21.169 -17.241 273 HB2 GLN 41 HB2 GLN 41 -4.071 -21.526 -15.102 274 HB3 GLN 41 HB3 GLN 41 -5.382 -22.367 -14.610 275 HG2 GLN 41 HG2 GLN 41 -4.951 -24.015 -16.232 276 HG3 GLN 41 HG3 GLN 41 -3.662 -23.166 -16.766 277 HE21 GLN 41 HE21 GLN 41 -3.001 -25.916 -14.129 278 HE22 GLN 41 HE22 GLN 41 -4.291 -25.849 -15.283 279 HA PRO 42 HA PRO 42 -9.047 -23.173 -17.881 280 HB2 PRO 42 HB2 PRO 42 -8.385 -25.042 -19.657 281 HB3 PRO 42 HB3 PRO 42 -8.494 -23.487 -20.146 282 HG2 PRO 42 HG2 PRO 42 -6.144 -24.926 -19.411 283 HG3 PRO 42 HG3 PRO 42 -6.369 -23.978 -20.722 284 HD2 PRO 42 HD2 PRO 42 -5.150 -23.037 -18.634 285 HD3 PRO 42 HD3 PRO 42 -6.112 -22.063 -19.524 286 H GLY 43 H GLY 43 -10.204 -25.057 -17.305 287 HA2 GLY 43 HA2 GLY 43 -8.888 -26.349 -15.163 288 HA3 GLY 43 HA3 GLY 43 -10.447 -26.554 -15.607 289 H GLY 44 H GLY 44 -9.360 -28.789 -14.801 290 HA2 GLY 44 HA2 GLY 44 -7.954 -30.159 -16.790 291 HA3 GLY 44 HA3 GLY 44 -8.663 -30.831 -15.481 292 H GLY 45 H GLY 45 -8.835 -30.348 -18.802 293 HA2 GLY 45 HA2 GLY 45 -10.195 -31.933 -19.987 294 HA3 GLY 45 HA3 GLY 45 -11.385 -31.709 -18.892 295 H THR 46 H THR 46 -10.348 -28.727 -19.244 296 HA THR 46 HA THR 46 -11.826 -28.258 -21.664 297 HB THR 46 HB THR 46 -12.947 -27.282 -19.694 298 HG1 THR 46 HG1 THR 46 -12.990 -26.445 -21.976 299 HG21 THR 46 HG21 THR 46 -12.034 -25.285 -18.782 300 HG22 THR 46 HG22 THR 46 -10.734 -25.421 -19.735 301 HG23 THR 46 HG23 THR 46 -10.983 -26.492 -18.548 302 H THR 47 H THR 47 -11.117 -26.409 -23.025 303 HA THR 47 HA THR 47 -8.570 -25.336 -22.363 304 HB THR 47 HB THR 47 -8.001 -27.282 -23.727 305 HG1 THR 47 HG1 THR 47 -6.375 -26.279 -24.538 306 HG21 THR 47 HG21 THR 47 -8.515 -27.224 -26.061 307 HG22 THR 47 HG22 THR 47 -9.338 -25.846 -25.865 308 HG23 THR 47 HG23 THR 47 -9.900 -27.221 -25.227 309 H LEU 48 H LEU 48 -8.074 -23.338 -23.545 310 HA LEU 48 HA LEU 48 -10.516 -22.079 -24.285 311 HB2 LEU 48 HB2 LEU 48 -9.508 -20.058 -23.907 312 HB3 LEU 48 HB3 LEU 48 -9.088 -21.049 -22.679 313 HG LEU 48 HG LEU 48 -7.309 -19.797 -23.001 314 HD11 LEU 48 HD11 LEU 48 -5.548 -21.210 -23.794 315 HD12 LEU 48 HD12 LEU 48 -6.648 -22.210 -24.428 316 HD13 LEU 48 HD13 LEU 48 -6.559 -22.018 -22.825 317 HD21 LEU 48 HD21 LEU 48 -6.303 -19.310 -25.148 318 HD22 LEU 48 HD22 LEU 48 -7.829 -18.780 -25.091 319 HD23 LEU 48 HD23 LEU 48 -7.478 -20.150 -25.874 320 H GLY 49 H GLY 49 -10.787 -20.662 -26.136 321 HA2 GLY 49 HA2 GLY 49 -9.150 -21.580 -28.340 322 HA3 GLY 49 HA3 GLY 49 -10.745 -21.261 -28.481 323 H GLY 50 H GLY 50 -11.410 -18.954 -27.836 324 HA2 GLY 50 HA2 GLY 50 -9.420 -17.140 -28.899 325 HA3 GLY 50 HA3 GLY 50 -10.983 -17.067 -29.367 326 H VAL 51 H VAL 51 -9.423 -14.956 -28.202 327 HA VAL 51 HA VAL 51 -10.979 -14.476 -25.815 328 HB VAL 51 HB VAL 51 -8.175 -13.811 -26.126 329 HG11 VAL 51 HG11 VAL 51 -8.261 -12.875 -23.918 330 HG12 VAL 51 HG12 VAL 51 -9.854 -13.147 -23.862 331 HG13 VAL 51 HG13 VAL 51 -9.255 -12.066 -24.905 332 HG21 VAL 51 HG21 VAL 51 -7.803 -15.304 -24.276 333 HG22 VAL 51 HG22 VAL 51 -8.483 -16.104 -25.505 334 HG23 VAL 51 HG23 VAL 51 -9.381 -15.653 -24.238 335 H TRP 52 H TRP 52 -11.820 -12.352 -25.623 336 HA TRP 52 HA TRP 52 -11.147 -10.577 -27.770 337 HB2 TRP 52 HB2 TRP 52 -13.492 -10.017 -28.057 338 HB3 TRP 52 HB3 TRP 52 -13.162 -11.564 -28.463 339 HD1 TRP 52 HD1 TRP 52 -14.126 -13.472 -26.818 340 HE1 TRP 52 HE1 TRP 52 -16.045 -13.563 -25.198 341 HE3 TRP 52 HE3 TRP 52 -14.879 -8.554 -26.452 342 HZ2 TRP 52 HZ2 TRP 52 -17.638 -11.623 -23.939 343 HZ3 TRP 52 HZ3 TRP 52 -16.604 -7.745 -24.996 344 HH2 TRP 52 HH2 TRP 52 -17.958 -9.274 -23.738 345 H ASN 53 H ASN 53 -11.698 -8.325 -27.504 346 HA ASN 53 HA ASN 53 -11.444 -6.501 -26.334 347 HB2 ASN 53 HB2 ASN 53 -13.508 -7.424 -25.164 348 HB3 ASN 53 HB3 ASN 53 -12.508 -7.528 -23.877 349 HD21 ASN 53 HD21 ASN 53 -13.316 -4.325 -22.904 350 HD22 ASN 53 HD22 ASN 53 -13.093 -5.984 -22.458 351 H GLY 54 H GLY 54 -9.317 -8.378 -26.352 352 HA2 GLY 54 HA2 GLY 54 -7.552 -7.013 -24.733 353 HA3 GLY 54 HA3 GLY 54 -7.941 -8.402 -23.965 354 H SER 55 H SER 55 -5.333 -7.724 -24.904 355 HA SER 55 HA SER 55 -4.963 -9.434 -27.169 356 HB2 SER 55 HB2 SER 55 -2.942 -7.876 -25.773 357 HB3 SER 55 HB3 SER 55 -2.734 -8.584 -27.231 358 HG SER 55 HG SER 55 -3.990 -7.152 -28.191 359 H LEU 56 H LEU 56 -4.775 -11.607 -26.827 360 HA LEU 56 HA LEU 56 -3.915 -12.432 -24.264 361 HB2 LEU 56 HB2 LEU 56 -4.738 -14.524 -24.746 362 HB3 LEU 56 HB3 LEU 56 -5.783 -13.488 -25.453 363 HG LEU 56 HG LEU 56 -3.750 -14.811 -26.965 364 HD11 LEU 56 HD11 LEU 56 -5.407 -16.462 -27.576 365 HD12 LEU 56 HD12 LEU 56 -6.454 -15.788 -26.545 366 HD13 LEU 56 HD13 LEU 56 -5.125 -16.520 -25.985 367 HD21 LEU 56 HD21 LEU 56 -5.150 -14.331 -28.848 368 HD22 LEU 56 HD22 LEU 56 -4.738 -12.962 -28.091 369 HD23 LEU 56 HD23 LEU 56 -6.211 -13.594 -27.875 370 H THR 57 H THR 57 -2.144 -13.701 -23.695 371 HA THR 57 HA THR 57 -0.426 -14.542 -25.830 372 HB THR 57 HB THR 57 1.557 -13.927 -24.449 373 HG1 THR 57 HG1 THR 57 0.419 -11.975 -23.142 374 HG21 THR 57 HG21 THR 57 1.559 -11.628 -25.125 375 HG22 THR 57 HG22 THR 57 -0.040 -11.679 -25.364 376 HG23 THR 57 HG23 THR 57 0.949 -12.518 -26.329 377 H SER 58 H SER 58 0.766 -16.529 -25.296 378 HA SER 58 HA SER 58 -0.384 -17.854 -23.026 379 HB2 SER 58 HB2 SER 58 0.988 -19.059 -25.299 380 HB3 SER 58 HB3 SER 58 0.244 -19.918 -24.126 381 HG SER 58 HG SER 58 -0.790 -18.968 -26.293 382 H GLY 59 H GLY 59 0.850 -19.077 -21.501 383 HA2 GLY 59 HA2 GLY 59 3.576 -18.188 -21.290 384 HA3 GLY 59 HA3 GLY 59 2.713 -18.917 -20.110 385 H SER 60 H SER 60 5.157 -19.913 -20.370 386 HA SER 60 HA SER 60 5.402 -21.817 -22.344 387 HB2 SER 60 HB2 SER 60 6.810 -21.827 -19.780 388 HB3 SER 60 HB3 SER 60 7.375 -22.506 -21.153 389 HG SER 60 HG SER 60 8.409 -20.689 -21.204 390 H ASP 61 H ASP 61 3.780 -21.918 -19.396 391 HA ASP 61 HA ASP 61 3.798 -24.763 -19.281 392 HB2 ASP 61 HB2 ASP 61 4.001 -23.201 -17.299 393 HB3 ASP 61 HB3 ASP 61 2.374 -23.103 -17.393 394 H GLY 62 H GLY 62 2.202 -22.975 -21.198 395 HA2 GLY 62 HA2 GLY 62 0.282 -23.484 -22.321 396 HA3 GLY 62 HA3 GLY 62 -0.063 -24.669 -21.253 397 H THR 63 H THR 63 0.562 -22.028 -19.493 398 HA THR 63 HA THR 63 -2.155 -21.531 -18.924 399 HB THR 63 HB THR 63 -1.213 -19.848 -17.352 400 HG1 THR 63 HG1 THR 63 1.255 -20.849 -18.015 401 HG21 THR 63 HG21 THR 63 -0.211 -21.463 -15.887 402 HG22 THR 63 HG22 THR 63 -0.035 -22.497 -17.118 403 HG23 THR 63 HG23 THR 63 -1.513 -22.132 -16.573 404 H VAL 64 H VAL 64 -3.019 -19.168 -18.914 405 HA VAL 64 HA VAL 64 -1.914 -17.803 -21.164 406 HB VAL 64 HB VAL 64 -4.346 -17.159 -21.687 407 HG11 VAL 64 HG11 VAL 64 -4.535 -19.027 -23.187 408 HG12 VAL 64 HG12 VAL 64 -3.353 -19.790 -22.390 409 HG13 VAL 64 HG13 VAL 64 -3.029 -18.441 -23.220 410 HG21 VAL 64 HG21 VAL 64 -5.927 -18.860 -21.098 411 HG22 VAL 64 HG22 VAL 64 -5.323 -18.179 -19.762 412 HG23 VAL 64 HG23 VAL 64 -4.790 -19.628 -20.242 413 H THR 65 H THR 65 -2.169 -15.504 -21.314 414 HA THR 65 HA THR 65 -3.397 -14.262 -19.055 415 HB THR 65 HB THR 65 -1.083 -14.358 -18.411 416 HG1 THR 65 HG1 THR 65 -1.722 -11.739 -18.964 417 HG21 THR 65 HG21 THR 65 0.547 -13.113 -19.638 418 HG22 THR 65 HG22 THR 65 -0.564 -12.710 -20.741 419 HG23 THR 65 HG23 THR 65 -0.078 -14.247 -20.606 420 H VAL 66 H VAL 66 -4.112 -12.068 -19.426 421 HA VAL 66 HA VAL 66 -4.163 -11.422 -22.225 422 HB VAL 66 HB VAL 66 -6.509 -11.204 -20.518 423 HG11 VAL 66 HG11 VAL 66 -7.723 -10.788 -22.543 424 HG12 VAL 66 HG12 VAL 66 -6.349 -10.880 -23.391 425 HG13 VAL 66 HG13 VAL 66 -6.575 -9.667 -22.346 426 HG21 VAL 66 HG21 VAL 66 -7.397 -13.120 -21.661 427 HG22 VAL 66 HG22 VAL 66 -6.035 -13.521 -20.887 428 HG23 VAL 66 HG23 VAL 66 -6.014 -13.275 -22.485 429 H ARG 67 H ARG 67 -3.710 -9.275 -22.721 430 HA ARG 67 HA ARG 67 -3.902 -7.422 -20.557 431 HB2 ARG 67 HB2 ARG 67 -1.648 -6.670 -20.859 432 HB3 ARG 67 HB3 ARG 67 -1.640 -8.273 -20.546 433 HG2 ARG 67 HG2 ARG 67 -1.426 -8.633 -22.939 434 HG3 ARG 67 HG3 ARG 67 -1.173 -7.026 -23.085 435 HD2 ARG 67 HD2 ARG 67 0.492 -8.835 -21.567 436 HD3 ARG 67 HD3 ARG 67 0.922 -8.117 -22.969 437 HE ARG 67 HE ARG 67 0.799 -6.873 -20.391 438 HH11 ARG 67 HH11 ARG 67 1.882 -4.937 -20.154 439 HH12 ARG 67 HH12 ARG 67 2.526 -4.117 -21.537 440 HH21 ARG 67 HH21 ARG 67 1.479 -6.515 -23.828 441 HH22 ARG 67 HH22 ARG 67 2.299 -5.005 -23.607 442 H ASN 68 H ASN 68 -3.566 -5.112 -21.114 443 HA ASN 68 HA ASN 68 -4.034 -3.417 -22.396 444 HB2 ASN 68 HB2 ASN 68 -2.489 -4.990 -24.278 445 HB3 ASN 68 HB3 ASN 68 -2.969 -3.489 -24.706 446 HD21 ASN 68 HD21 ASN 68 -0.345 -1.856 -23.216 447 HD22 ASN 68 HD22 ASN 68 -1.633 -1.831 -24.374 448 H VAL 69 H VAL 69 -6.365 -3.739 -22.289 449 HA VAL 69 HA VAL 69 -7.752 -4.609 -24.462 450 HB VAL 69 HB VAL 69 -8.657 -2.256 -23.032 451 HG11 VAL 69 HG11 VAL 69 -10.840 -3.171 -23.414 452 HG12 VAL 69 HG12 VAL 69 -10.179 -4.447 -24.157 453 HG13 VAL 69 HG13 VAL 69 -10.069 -2.977 -24.822 454 HG21 VAL 69 HG21 VAL 69 -9.560 -3.636 -21.314 455 HG22 VAL 69 HG22 VAL 69 -7.949 -3.771 -21.345 456 HG23 VAL 69 HG23 VAL 69 -8.870 -4.936 -21.985 457 H ASP 70 H ASP 70 -8.391 -3.604 -26.469 458 HA ASP 70 HA ASP 70 -6.648 -1.760 -27.483 459 HB2 ASP 70 HB2 ASP 70 -8.038 -1.699 -29.397 460 HB3 ASP 70 HB3 ASP 70 -8.044 -3.231 -28.831 461 H HIS 71 H HIS 71 -9.588 -1.302 -25.763 462 HA HIS 71 HA HIS 71 -9.820 1.352 -26.593 463 HB2 HIS 71 HB2 HIS 71 -11.769 1.497 -25.250 464 HB3 HIS 71 HB3 HIS 71 -11.786 0.074 -26.051 465 HD1 HIS 71 HD1 HIS 71 -13.236 -1.293 -24.507 466 HD2 HIS 71 HD2 HIS 71 -10.046 0.480 -22.660 467 HE1 HIS 71 HE1 HIS 71 -13.161 -2.086 -22.154 468 HE2 HIS 71 HE2 HIS 71 -11.222 -1.047 -21.017 469 H ASN 72 H ASN 72 -7.993 -0.029 -24.161 470 HA ASN 72 HA ASN 72 -7.790 2.513 -22.861 471 HB2 ASN 72 HB2 ASN 72 -6.763 1.550 -21.055 472 HB3 ASN 72 HB3 ASN 72 -7.968 0.528 -21.467 473 HD21 ASN 72 HD21 ASN 72 -4.112 -0.615 -21.786 474 HD22 ASN 72 HD22 ASN 72 -4.538 1.063 -21.832 475 H ARG 73 H ARG 73 -6.566 1.183 -25.446 476 HA ARG 73 HA ARG 73 -3.860 1.951 -25.220 477 HB2 ARG 73 HB2 ARG 73 -4.675 0.256 -26.761 478 HB3 ARG 73 HB3 ARG 73 -5.352 1.452 -27.643 479 HG2 ARG 73 HG2 ARG 73 -3.252 2.267 -28.236 480 HG3 ARG 73 HG3 ARG 73 -2.519 1.198 -27.241 481 HD2 ARG 73 HD2 ARG 73 -2.454 0.451 -29.526 482 HD3 ARG 73 HD3 ARG 73 -3.272 -0.602 -28.583 483 HE ARG 73 HE ARG 73 -5.042 1.236 -29.704 484 HH11 ARG 73 HH11 ARG 73 -3.170 -1.621 -30.535 485 HH12 ARG 73 HH12 ARG 73 -4.263 -2.098 -31.791 486 HH21 ARG 73 HH21 ARG 73 -6.448 0.568 -31.317 487 HH22 ARG 73 HH22 ARG 73 -6.111 -0.865 -32.231 488 H VAL 74 H VAL 74 -6.757 3.520 -25.744 489 HA VAL 74 HA VAL 74 -5.583 5.700 -27.138 490 HB VAL 74 HB VAL 74 -8.372 5.432 -26.343 491 HG11 VAL 74 HG11 VAL 74 -8.839 7.134 -27.962 492 HG12 VAL 74 HG12 VAL 74 -7.261 7.267 -28.285 493 HG13 VAL 74 HG13 VAL 74 -7.829 7.704 -26.836 494 HG21 VAL 74 HG21 VAL 74 -8.805 4.702 -28.597 495 HG22 VAL 74 HG22 VAL 74 -7.780 3.679 -27.876 496 HG23 VAL 74 HG23 VAL 74 -7.224 4.774 -28.928 497 H VAL 75 H VAL 75 -7.357 5.151 -24.190 498 HA VAL 75 HA VAL 75 -5.975 7.342 -22.952 499 HB VAL 75 HB VAL 75 -8.025 7.955 -21.745 500 HG11 VAL 75 HG11 VAL 75 -8.964 9.241 -23.539 501 HG12 VAL 75 HG12 VAL 75 -8.150 8.346 -24.612 502 HG13 VAL 75 HG13 VAL 75 -7.349 9.312 -23.591 503 HG21 VAL 75 HG21 VAL 75 -10.129 7.214 -22.626 504 HG22 VAL 75 HG22 VAL 75 -9.279 5.949 -22.088 505 HG23 VAL 75 HG23 VAL 75 -9.359 6.253 -23.674 506 HA PRO 76 HA PRO 76 -5.564 4.316 -19.823 507 HB2 PRO 76 HB2 PRO 76 -5.486 5.665 -17.517 508 HB3 PRO 76 HB3 PRO 76 -4.210 5.752 -18.533 509 HG2 PRO 76 HG2 PRO 76 -6.364 7.606 -18.273 510 HG3 PRO 76 HG3 PRO 76 -4.765 7.933 -18.335 511 HD2 PRO 76 HD2 PRO 76 -6.211 8.184 -20.471 512 HD3 PRO 76 HD3 PRO 76 -4.677 7.638 -20.595 513 HA PRO 77 HA PRO 77 -9.493 3.311 -18.516 514 HB2 PRO 77 HB2 PRO 77 -9.123 1.551 -16.545 515 HB3 PRO 77 HB3 PRO 77 -8.762 1.117 -18.078 516 HG2 PRO 77 HG2 PRO 77 -6.976 2.063 -16.063 517 HG3 PRO 77 HG3 PRO 77 -6.774 0.785 -17.059 518 HD2 PRO 77 HD2 PRO 77 -5.636 3.056 -17.601 519 HD3 PRO 77 HD3 PRO 77 -6.170 2.098 -18.811 520 H ASP 78 H ASP 78 -11.175 3.769 -17.144 521 HA ASP 78 HA ASP 78 -10.365 5.620 -15.104 522 HB2 ASP 78 HB2 ASP 78 -12.340 6.891 -15.602 523 HB3 ASP 78 HB3 ASP 78 -11.501 6.655 -16.984 524 H GLY 79 H GLY 79 -11.296 2.666 -15.181 525 HA2 GLY 79 HA2 GLY 79 -12.505 2.579 -12.700 526 HA3 GLY 79 HA3 GLY 79 -13.683 2.510 -13.828 527 H SER 80 H SER 80 -14.387 0.409 -13.499 528 HA SER 80 HA SER 80 -12.439 -1.668 -13.697 529 HB2 SER 80 HB2 SER 80 -14.398 -3.132 -13.295 530 HB3 SER 80 HB3 SER 80 -14.133 -2.061 -12.091 531 HG SER 80 HG SER 80 -15.644 -0.692 -13.280 532 H VAL 81 H VAL 81 -12.541 -3.393 -15.274 533 HA VAL 81 HA VAL 81 -13.956 -2.653 -17.663 534 HB VAL 81 HB VAL 81 -12.047 -3.286 -19.026 535 HG11 VAL 81 HG11 VAL 81 -10.743 -1.310 -18.633 536 HG12 VAL 81 HG12 VAL 81 -11.456 -1.120 -17.194 537 HG13 VAL 81 HG13 VAL 81 -12.319 -0.957 -18.552 538 HG21 VAL 81 HG21 VAL 81 -9.909 -3.586 -18.000 539 HG22 VAL 81 HG22 VAL 81 -10.935 -4.729 -17.493 540 HG23 VAL 81 HG23 VAL 81 -10.589 -3.471 -16.537 541 H THR 82 H THR 82 -13.945 -4.587 -19.311 542 HA THR 82 HA THR 82 -14.032 -7.032 -17.815 543 HB THR 82 HB THR 82 -16.317 -6.297 -18.246 544 HG1 THR 82 HG1 THR 82 -17.101 -8.225 -18.883 545 HG21 THR 82 HG21 THR 82 -17.143 -6.312 -20.505 546 HG22 THR 82 HG22 THR 82 -15.669 -6.685 -21.057 547 HG23 THR 82 HG23 THR 82 -15.943 -5.233 -20.400 548 H PHE 83 H PHE 83 -13.741 -9.028 -19.002 549 HA PHE 83 HA PHE 83 -12.556 -8.743 -21.627 550 HB2 PHE 83 HB2 PHE 83 -11.433 -10.263 -19.451 551 HB3 PHE 83 HB3 PHE 83 -10.962 -10.473 -21.001 552 HD1 PHE 83 HD1 PHE 83 -9.382 -9.035 -22.010 553 HD2 PHE 83 HD2 PHE 83 -10.941 -8.106 -18.299 554 HE1 PHE 83 HE1 PHE 83 -7.708 -7.354 -21.733 555 HE2 PHE 83 HE2 PHE 83 -9.289 -6.402 -18.029 556 HZ PHE 83 HZ PHE 83 -7.651 -6.043 -19.732 557 H GLY 84 H GLY 84 -12.705 -10.916 -22.844 558 HA2 GLY 84 HA2 GLY 84 -14.404 -12.828 -21.573 559 HA3 GLY 84 HA3 GLY 84 -15.024 -12.121 -22.909 560 H PHE 85 H PHE 85 -14.668 -14.873 -22.720 561 HA PHE 85 HA PHE 85 -12.912 -15.273 -24.904 562 HB2 PHE 85 HB2 PHE 85 -11.582 -16.954 -23.868 563 HB3 PHE 85 HB3 PHE 85 -11.446 -15.569 -23.013 564 HD1 PHE 85 HD1 PHE 85 -12.424 -15.374 -20.787 565 HD2 PHE 85 HD2 PHE 85 -12.632 -18.906 -22.922 566 HE1 PHE 85 HE1 PHE 85 -13.054 -16.536 -18.798 567 HE2 PHE 85 HE2 PHE 85 -13.278 -20.070 -20.941 568 HZ PHE 85 HZ PHE 85 -13.474 -18.891 -18.872 569 H THR 86 H THR 86 -12.953 -17.622 -25.697 570 HA THR 86 HA THR 86 -15.388 -18.922 -24.881 571 HB THR 86 HB THR 86 -15.826 -18.023 -27.057 572 HG1 THR 86 HG1 THR 86 -17.003 -19.691 -27.231 573 HG21 THR 86 HG21 THR 86 -14.568 -18.765 -28.955 574 HG22 THR 86 HG22 THR 86 -13.602 -19.637 -27.996 575 HG23 THR 86 HG23 THR 86 -13.566 -18.022 -27.927 576 H ALA 87 H ALA 87 -15.351 -21.277 -24.941 577 HA ALA 87 HA ALA 87 -12.731 -22.393 -25.170 578 HB1 ALA 87 HB1 ALA 87 -12.872 -21.688 -22.861 579 HB2 ALA 87 HB2 ALA 87 -12.812 -23.302 -22.918 580 HB3 ALA 87 HB3 ALA 87 -14.224 -22.555 -22.671 581 H THR 88 H THR 88 -12.619 -24.746 -25.089 582 HA THR 88 HA THR 88 -15.164 -25.971 -25.634 583 HB THR 88 HB THR 88 -13.847 -27.593 -27.059 584 HG1 THR 88 HG1 THR 88 -11.820 -27.344 -26.988 585 HG21 THR 88 HG21 THR 88 -13.932 -26.151 -28.962 586 HG22 THR 88 HG22 THR 88 -14.039 -24.855 -28.000 587 HG23 THR 88 HG23 THR 88 -15.262 -25.910 -28.075 588 H SER 89 H SER 89 -15.274 -28.353 -25.021 589 HA SER 89 HA SER 89 -13.377 -29.096 -23.063 590 HB2 SER 89 HB2 SER 89 -14.876 -27.590 -21.830 591 HB3 SER 89 HB3 SER 89 -16.133 -28.557 -22.218 592 HG SER 89 HG SER 89 -14.881 -28.707 -20.104 593 H THR 90 H THR 90 -13.615 -31.201 -22.099 594 HA THR 90 HA THR 90 -15.017 -32.986 -23.767 595 HB THR 90 HB THR 90 -14.072 -34.727 -22.270 596 HG1 THR 90 HG1 THR 90 -14.151 -33.375 -20.415 597 HG21 THR 90 HG21 THR 90 -11.771 -34.339 -22.833 598 HG22 THR 90 HG22 THR 90 -12.092 -32.787 -23.153 599 HG23 THR 90 HG23 THR 90 -12.684 -33.949 -24.109 600 H GLY 91 H GLY 91 -15.855 -31.062 -21.313 601 HA2 GLY 91 HA2 GLY 91 -18.232 -31.366 -20.666 602 HA3 GLY 91 HA3 GLY 91 -17.818 -32.876 -20.204 603 H ASN 92 H ASN 92 -15.153 -31.545 -19.420 604 HA ASN 92 HA ASN 92 -15.977 -30.945 -16.756 605 HB2 ASN 92 HB2 ASN 92 -13.347 -31.425 -17.864 606 HB3 ASN 92 HB3 ASN 92 -13.554 -31.010 -16.298 607 HD21 ASN 92 HD21 ASN 92 -13.843 -34.257 -15.241 608 HD22 ASN 92 HD22 ASN 92 -13.326 -32.636 -14.916 609 H ASP 93 H ASP 93 -16.930 -28.869 -17.074 610 HA ASP 93 HA ASP 93 -15.277 -26.843 -18.174 611 HB2 ASP 93 HB2 ASP 93 -17.997 -26.705 -17.179 612 HB3 ASP 93 HB3 ASP 93 -17.244 -25.422 -17.854 613 H PHE 94 H PHE 94 -14.984 -28.217 -15.449 614 HA PHE 94 HA PHE 94 -15.547 -26.185 -13.609 615 HB2 PHE 94 HB2 PHE 94 -13.951 -28.522 -12.990 616 HB3 PHE 94 HB3 PHE 94 -14.973 -27.749 -11.977 617 HD1 PHE 94 HD1 PHE 94 -17.503 -27.773 -12.835 618 HD2 PHE 94 HD2 PHE 94 -14.627 -30.591 -13.768 619 HE1 PHE 94 HE1 PHE 94 -19.219 -29.330 -13.418 620 HE2 PHE 94 HE2 PHE 94 -16.339 -32.153 -14.345 621 HZ PHE 94 HZ PHE 94 -18.638 -31.519 -14.189 622 HA PRO 95 HA PRO 95 -11.580 -24.320 -13.676 623 HB2 PRO 95 HB2 PRO 95 -11.915 -22.412 -11.873 624 HB3 PRO 95 HB3 PRO 95 -12.726 -22.278 -13.284 625 HG2 PRO 95 HG2 PRO 95 -13.696 -23.296 -10.801 626 HG3 PRO 95 HG3 PRO 95 -14.424 -22.223 -11.794 627 HD2 PRO 95 HD2 PRO 95 -15.069 -24.763 -11.847 628 HD3 PRO 95 HD3 PRO 95 -15.161 -23.847 -13.196 629 H VAL 96 H VAL 96 -9.738 -23.774 -12.208 630 HA VAL 96 HA VAL 96 -9.793 -25.640 -10.036 631 HB VAL 96 HB VAL 96 -7.486 -25.191 -11.769 632 HG11 VAL 96 HG11 VAL 96 -6.382 -26.958 -10.579 633 HG12 VAL 96 HG12 VAL 96 -7.651 -27.087 -9.585 634 HG13 VAL 96 HG13 VAL 96 -6.742 -25.750 -9.567 635 HG21 VAL 96 HG21 VAL 96 -7.833 -27.440 -12.563 636 HG22 VAL 96 HG22 VAL 96 -9.142 -26.540 -12.867 637 HG23 VAL 96 HG23 VAL 96 -9.141 -27.572 -11.622 638 H ASP 97 H ASP 97 -8.280 -22.780 -11.295 639 HA ASP 97 HA ASP 97 -7.263 -22.181 -8.689 640 HB2 ASP 97 HB2 ASP 97 -5.622 -20.802 -9.795 641 HB3 ASP 97 HB3 ASP 97 -5.595 -22.303 -10.439 642 H SER 98 H SER 98 -7.022 -19.829 -8.074 643 HA SER 98 HA SER 98 -9.487 -18.519 -8.507 644 HB2 SER 98 HB2 SER 98 -7.261 -17.281 -7.132 645 HB3 SER 98 HB3 SER 98 -8.849 -17.077 -6.810 646 HG SER 98 HG SER 98 -8.061 -18.325 -5.230 647 H ILE 99 H ILE 99 -9.831 -16.482 -9.577 648 HA ILE 99 HA ILE 99 -7.955 -16.076 -11.691 649 HB ILE 99 HB ILE 99 -10.668 -15.695 -11.435 650 HG12 ILE 99 HG12 ILE 99 -10.484 -15.396 -13.882 651 HG13 ILE 99 HG13 ILE 99 -8.873 -15.579 -13.683 652 HG21 ILE 99 HG21 ILE 99 -10.982 -13.569 -12.463 653 HG22 ILE 99 HG22 ILE 99 -9.393 -13.284 -12.373 654 HG23 ILE 99 HG23 ILE 99 -10.272 -13.398 -11.020 655 HD11 ILE 99 HD11 ILE 99 -9.853 -17.643 -14.353 656 HD12 ILE 99 HD12 ILE 99 -10.829 -17.614 -13.064 657 HD13 ILE 99 HD13 ILE 99 -9.234 -17.795 -12.867 658 H GLY 100 H GLY 100 -6.652 -14.286 -12.041 659 HA2 GLY 100 HA2 GLY 100 -6.808 -12.147 -10.161 660 HA3 GLY 100 HA3 GLY 100 -5.475 -13.081 -10.035 661 H CYS 101 H CYS 101 -4.808 -10.608 -10.453 662 HA CYS 101 HA CYS 101 -3.916 -10.595 -13.154 663 HB2 CYS 101 HB2 CYS 101 -4.656 -8.357 -13.504 664 HB3 CYS 101 HB3 CYS 101 -5.838 -9.484 -13.499 665 H VAL 102 H VAL 102 -2.161 -9.113 -13.588 666 HA VAL 102 HA VAL 102 -0.930 -8.196 -11.187 667 HB VAL 102 HB VAL 102 1.240 -9.068 -11.992 668 HG11 VAL 102 HG11 VAL 102 0.826 -11.355 -11.372 669 HG12 VAL 102 HG12 VAL 102 -0.765 -11.113 -11.533 670 HG13 VAL 102 HG13 VAL 102 0.052 -10.360 -10.359 671 HG21 VAL 102 HG21 VAL 102 1.230 -10.692 -13.758 672 HG22 VAL 102 HG22 VAL 102 0.711 -9.266 -14.315 673 HG23 VAL 102 HG23 VAL 102 -0.350 -10.441 -13.987 674 H ALA 103 H ALA 103 0.869 -6.633 -11.469 675 HA ALA 103 HA ALA 103 0.489 -4.954 -13.761 676 HB1 ALA 103 HB1 ALA 103 0.713 -3.875 -11.644 677 HB2 ALA 103 HB2 ALA 103 1.958 -3.440 -12.579 678 HB3 ALA 103 HB3 ALA 103 2.164 -4.555 -11.426 679 HA PRO 104 HA PRO 104 4.072 -6.576 -15.674 680 HB2 PRO 104 HB2 PRO 104 4.906 -4.631 -17.271 681 HB3 PRO 104 HB3 PRO 104 3.466 -5.328 -17.598 682 HG2 PRO 104 HG2 PRO 104 3.952 -2.901 -16.180 683 HG3 PRO 104 HG3 PRO 104 2.867 -3.162 -17.372 684 HD2 PRO 104 HD2 PRO 104 2.139 -3.216 -14.859 685 HD3 PRO 104 HD3 PRO 104 1.389 -4.153 -15.967 Start of MODEL 7 1 H1 HIS 1 H1 HIS 1 4.134 -11.022 -5.462 2 H2 HIS 1 H2 HIS 1 4.275 -9.920 -4.287 3 H3 HIS 1 H3 HIS 1 4.140 -9.447 -5.828 4 HA HIS 1 HA HIS 1 1.965 -10.291 -5.922 5 HB2 HIS 1 HB2 HIS 1 1.993 -12.021 -4.314 6 HB3 HIS 1 HB3 HIS 1 2.378 -10.970 -3.124 7 HD1 HIS 1 HD1 HIS 1 0.464 -9.505 -2.056 8 HD2 HIS 1 HD2 HIS 1 -0.713 -12.191 -4.911 9 HE1 HIS 1 HE1 HIS 1 -1.993 -9.790 -1.882 10 HE2 HIS 1 HE2 HIS 1 -2.746 -11.425 -3.582 11 H THR 2 H THR 2 0.474 -8.653 -6.007 12 HA THR 2 HA THR 2 0.535 -6.769 -3.852 13 HB THR 2 HB THR 2 1.861 -5.750 -5.630 14 HG1 THR 2 HG1 THR 2 1.086 -3.884 -5.149 15 HG21 THR 2 HG21 THR 2 0.804 -5.173 -7.701 16 HG22 THR 2 HG22 THR 2 -0.570 -5.876 -7.219 17 HG23 THR 2 HG23 THR 2 0.737 -6.779 -7.522 18 H GLY 3 H GLY 3 -1.445 -5.494 -3.570 19 HA2 GLY 3 HA2 GLY 3 -3.684 -7.087 -4.376 20 HA3 GLY 3 HA3 GLY 3 -3.675 -5.969 -3.186 21 H SER 4 H SER 4 -2.519 -5.532 -6.413 22 HA SER 4 HA SER 4 -3.720 -3.125 -6.744 23 HB2 SER 4 HB2 SER 4 -1.892 -3.850 -8.180 24 HB3 SER 4 HB3 SER 4 -2.864 -4.967 -8.868 25 HG SER 4 HG SER 4 -3.282 -3.565 -10.268 26 H CYS 5 H CYS 5 -5.014 -6.231 -7.428 27 HA CYS 5 HA CYS 5 -7.521 -4.997 -7.944 28 HB2 CYS 5 HB2 CYS 5 -7.893 -5.977 -9.977 29 HB3 CYS 5 HB3 CYS 5 -6.543 -5.061 -10.042 30 H MET 6 H MET 6 -9.359 -6.414 -7.920 31 HA MET 6 HA MET 6 -8.858 -9.100 -6.895 32 HB2 MET 6 HB2 MET 6 -10.914 -7.281 -5.986 33 HB3 MET 6 HB3 MET 6 -10.821 -8.846 -5.529 34 HG2 MET 6 HG2 MET 6 -8.971 -6.803 -4.923 35 HG3 MET 6 HG3 MET 6 -10.060 -7.448 -3.891 36 HE1 MET 6 HE1 MET 6 -6.267 -8.625 -2.932 37 HE2 MET 6 HE2 MET 6 -7.407 -7.587 -2.444 38 HE3 MET 6 HE3 MET 6 -6.584 -7.303 -3.807 39 H ALA 7 H ALA 7 -9.383 -10.399 -8.624 40 HA ALA 7 HA ALA 7 -11.096 -9.380 -10.608 41 HB1 ALA 7 HB1 ALA 7 -9.153 -10.714 -11.204 42 HB2 ALA 7 HB2 ALA 7 -10.481 -11.386 -11.836 43 HB3 ALA 7 HB3 ALA 7 -9.822 -12.004 -10.495 44 H VAL 8 H VAL 8 -12.991 -10.281 -11.538 45 HA VAL 8 HA VAL 8 -14.327 -12.195 -9.860 46 HB VAL 8 HB VAL 8 -15.652 -10.008 -11.228 47 HG11 VAL 8 HG11 VAL 8 -17.681 -10.704 -10.082 48 HG12 VAL 8 HG12 VAL 8 -16.880 -11.949 -9.433 49 HG13 VAL 8 HG13 VAL 8 -17.135 -11.895 -11.029 50 HG21 VAL 8 HG21 VAL 8 -16.118 -9.047 -9.050 51 HG22 VAL 8 HG22 VAL 8 -14.523 -9.138 -9.295 52 HG23 VAL 8 HG23 VAL 8 -15.259 -10.226 -8.351 53 H TYR 9 H TYR 9 -15.375 -13.926 -10.996 54 HA TYR 9 HA TYR 9 -15.350 -13.624 -13.844 55 HB2 TYR 9 HB2 TYR 9 -13.492 -14.983 -13.447 56 HB3 TYR 9 HB3 TYR 9 -14.329 -15.914 -12.398 57 HD1 TYR 9 HD1 TYR 9 -15.505 -17.878 -13.185 58 HD2 TYR 9 HD2 TYR 9 -14.048 -15.108 -15.890 59 HE1 TYR 9 HE1 TYR 9 -16.127 -19.332 -14.991 60 HE2 TYR 9 HE2 TYR 9 -14.673 -16.566 -17.688 61 HH TYR 9 HH TYR 9 -15.835 -19.782 -17.222 62 H SER 10 H SER 10 -17.080 -14.440 -15.020 63 HA SER 10 HA SER 10 -18.908 -16.186 -13.668 64 HB2 SER 10 HB2 SER 10 -19.833 -13.806 -15.049 65 HB3 SER 10 HB3 SER 10 -20.816 -14.919 -14.368 66 HG SER 10 HG SER 10 -19.964 -12.853 -13.220 67 H VAL 11 H VAL 11 -20.184 -17.590 -15.124 68 HA VAL 11 HA VAL 11 -18.983 -17.951 -17.654 69 HB VAL 11 HB VAL 11 -21.339 -19.234 -16.545 70 HG11 VAL 11 HG11 VAL 11 -21.166 -20.815 -18.329 71 HG12 VAL 11 HG12 VAL 11 -19.941 -19.971 -18.964 72 HG13 VAL 11 HG13 VAL 11 -21.428 -19.334 -18.925 73 HG21 VAL 11 HG21 VAL 11 -19.886 -21.142 -16.224 74 HG22 VAL 11 HG22 VAL 11 -19.295 -19.873 -15.415 75 HG23 VAL 11 HG23 VAL 11 -18.643 -20.305 -16.831 76 H GLU 12 H GLU 12 -19.626 -17.032 -19.593 77 HA GLU 12 HA GLU 12 -21.696 -15.084 -19.546 78 HB2 GLU 12 HB2 GLU 12 -19.803 -14.552 -20.789 79 HB3 GLU 12 HB3 GLU 12 -19.888 -15.957 -21.618 80 HG2 GLU 12 HG2 GLU 12 -20.572 -14.471 -23.151 81 HG3 GLU 12 HG3 GLU 12 -21.994 -15.018 -22.562 82 H ASN 13 H ASN 13 -21.115 -17.979 -21.399 83 HA ASN 13 HA ASN 13 -23.903 -18.500 -21.595 84 HB2 ASN 13 HB2 ASN 13 -23.271 -17.071 -23.532 85 HB3 ASN 13 HB3 ASN 13 -22.478 -18.384 -24.094 86 HD21 ASN 13 HD21 ASN 13 -25.364 -18.989 -25.940 87 HD22 ASN 13 HD22 ASN 13 -23.801 -18.245 -26.001 88 H SER 14 H SER 14 -24.349 -20.728 -22.504 89 HA SER 14 HA SER 14 -21.997 -22.320 -22.641 90 HB2 SER 14 HB2 SER 14 -22.829 -23.901 -20.930 91 HB3 SER 14 HB3 SER 14 -22.455 -22.443 -20.295 92 HG SER 14 HG SER 14 -24.984 -22.736 -21.170 93 H TRP 15 H TRP 15 -22.224 -24.488 -23.523 94 HA TRP 15 HA TRP 15 -24.733 -25.123 -24.649 95 HB2 TRP 15 HB2 TRP 15 -23.979 -25.015 -26.951 96 HB3 TRP 15 HB3 TRP 15 -24.082 -23.536 -26.264 97 HD1 TRP 15 HD1 TRP 15 -21.476 -25.933 -27.471 98 HE1 TRP 15 HE1 TRP 15 -19.265 -24.830 -27.884 99 HE3 TRP 15 HE3 TRP 15 -22.602 -21.482 -25.484 100 HZ2 TRP 15 HZ2 TRP 15 -18.225 -22.257 -27.391 101 HZ3 TRP 15 HZ3 TRP 15 -20.949 -19.767 -25.472 102 HH2 TRP 15 HH2 TRP 15 -18.805 -20.123 -26.513 103 H SER 16 H SER 16 -24.269 -27.167 -26.331 104 HA SER 16 HA SER 16 -22.943 -28.979 -24.717 105 HB2 SER 16 HB2 SER 16 -23.105 -30.245 -27.072 106 HB3 SER 16 HB3 SER 16 -24.284 -30.264 -25.941 107 HG SER 16 HG SER 16 -24.742 -29.492 -28.187 108 H GLY 17 H GLY 17 -20.758 -29.235 -24.422 109 HA2 GLY 17 HA2 GLY 17 -18.791 -29.993 -25.368 110 HA3 GLY 17 HA3 GLY 17 -19.217 -29.390 -26.824 111 H GLY 18 H GLY 18 -19.901 -26.943 -24.955 112 HA2 GLY 18 HA2 GLY 18 -17.469 -26.067 -24.020 113 HA3 GLY 18 HA3 GLY 18 -17.681 -25.434 -25.511 114 H PHE 19 H PHE 19 -17.385 -23.487 -24.021 115 HA PHE 19 HA PHE 19 -19.938 -22.415 -23.372 116 HB2 PHE 19 HB2 PHE 19 -19.412 -22.023 -21.062 117 HB3 PHE 19 HB3 PHE 19 -19.321 -23.628 -21.352 118 HD1 PHE 19 HD1 PHE 19 -17.051 -24.740 -21.475 119 HD2 PHE 19 HD2 PHE 19 -17.540 -20.789 -20.376 120 HE1 PHE 19 HE1 PHE 19 -14.820 -24.690 -20.664 121 HE2 PHE 19 HE2 PHE 19 -15.332 -20.776 -19.449 122 HZ PHE 19 HZ PHE 19 -13.959 -22.714 -19.629 123 H GLN 20 H GLN 20 -19.685 -20.086 -22.504 124 HA GLN 20 HA GLN 20 -17.256 -18.902 -23.526 125 HB2 GLN 20 HB2 GLN 20 -19.819 -18.269 -24.263 126 HB3 GLN 20 HB3 GLN 20 -19.202 -16.978 -23.475 127 HG2 GLN 20 HG2 GLN 20 -17.452 -16.814 -25.009 128 HG3 GLN 20 HG3 GLN 20 -17.916 -18.199 -25.740 129 HE21 GLN 20 HE21 GLN 20 -20.875 -15.617 -26.321 130 HE22 GLN 20 HE22 GLN 20 -20.614 -16.537 -24.876 131 H GLY 21 H GLY 21 -16.187 -17.421 -22.167 132 HA2 GLY 21 HA2 GLY 21 -17.439 -17.117 -19.575 133 HA3 GLY 21 HA3 GLY 21 -15.828 -17.289 -19.778 134 H SER 22 H SER 22 -17.378 -15.226 -18.403 135 HA SER 22 HA SER 22 -16.439 -12.887 -19.837 136 HB2 SER 22 HB2 SER 22 -18.343 -11.738 -18.708 137 HB3 SER 22 HB3 SER 22 -18.784 -12.769 -19.896 138 HG SER 22 HG SER 22 -19.968 -13.632 -18.449 139 H VAL 23 H VAL 23 -15.092 -11.526 -18.685 140 HA VAL 23 HA VAL 23 -14.747 -12.222 -15.905 141 HB VAL 23 HB VAL 23 -12.450 -11.085 -17.145 142 HG11 VAL 23 HG11 VAL 23 -11.281 -12.647 -15.742 143 HG12 VAL 23 HG12 VAL 23 -12.688 -13.314 -15.305 144 HG13 VAL 23 HG13 VAL 23 -12.339 -11.798 -14.862 145 HG21 VAL 23 HG21 VAL 23 -11.710 -13.093 -18.167 146 HG22 VAL 23 HG22 VAL 23 -13.059 -12.559 -18.881 147 HG23 VAL 23 HG23 VAL 23 -13.130 -13.792 -17.837 148 H GLU 24 H GLU 24 -14.679 -10.459 -14.431 149 HA GLU 24 HA GLU 24 -14.704 -7.799 -15.614 150 HB2 GLU 24 HB2 GLU 24 -16.814 -8.351 -14.667 151 HB3 GLU 24 HB3 GLU 24 -16.089 -8.637 -13.232 152 HG2 GLU 24 HG2 GLU 24 -15.559 -6.377 -13.009 153 HG3 GLU 24 HG3 GLU 24 -16.166 -6.062 -14.492 154 H VAL 25 H VAL 25 -13.072 -6.437 -14.902 155 HA VAL 25 HA VAL 25 -11.443 -7.536 -12.784 156 HB VAL 25 HB VAL 25 -10.468 -5.765 -14.848 157 HG11 VAL 25 HG11 VAL 25 -8.285 -6.481 -14.121 158 HG12 VAL 25 HG12 VAL 25 -8.968 -7.411 -12.988 159 HG13 VAL 25 HG13 VAL 25 -9.084 -5.801 -12.890 160 HG21 VAL 25 HG21 VAL 25 -9.502 -7.672 -15.930 161 HG22 VAL 25 HG22 VAL 25 -11.114 -7.805 -15.898 162 HG23 VAL 25 HG23 VAL 25 -10.212 -8.646 -14.852 163 H MET 26 H MET 26 -11.744 -6.437 -10.854 164 HA MET 26 HA MET 26 -12.498 -3.705 -11.096 165 HB2 MET 26 HB2 MET 26 -13.448 -3.801 -9.056 166 HB3 MET 26 HB3 MET 26 -13.576 -5.366 -9.506 167 HG2 MET 26 HG2 MET 26 -12.898 -5.620 -7.504 168 HG3 MET 26 HG3 MET 26 -11.477 -5.646 -8.309 169 HE1 MET 26 HE1 MET 26 -13.007 -2.287 -5.687 170 HE2 MET 26 HE2 MET 26 -13.655 -3.766 -5.775 171 HE3 MET 26 HE3 MET 26 -13.770 -2.757 -7.033 172 H ASN 27 H ASN 27 -11.458 -1.949 -10.304 173 HA ASN 27 HA ASN 27 -8.665 -2.376 -9.889 174 HB2 ASN 27 HB2 ASN 27 -9.441 -0.748 -11.518 175 HB3 ASN 27 HB3 ASN 27 -9.929 0.177 -10.263 176 HD21 ASN 27 HD21 ASN 27 -6.811 1.732 -10.887 177 HD22 ASN 27 HD22 ASN 27 -8.500 1.833 -11.256 178 H HIS 28 H HIS 28 -7.994 -2.736 -7.852 179 HA HIS 28 HA HIS 28 -9.474 -1.651 -5.733 180 HB2 HIS 28 HB2 HIS 28 -8.234 -3.730 -5.572 181 HB3 HIS 28 HB3 HIS 28 -6.850 -2.865 -5.616 182 HD1 HIS 28 HD1 HIS 28 -5.836 -3.138 -3.343 183 HD2 HIS 28 HD2 HIS 28 -9.803 -2.141 -3.268 184 HE1 HIS 28 HE1 HIS 28 -6.437 -2.535 -1.010 185 HE2 HIS 28 HE2 HIS 28 -8.854 -1.960 -0.917 186 H GLY 29 H GLY 29 -6.688 -0.826 -7.504 187 HA2 GLY 29 HA2 GLY 29 -6.014 1.380 -5.820 188 HA3 GLY 29 HA3 GLY 29 -5.258 0.957 -7.205 189 H THR 30 H THR 30 -5.385 3.482 -7.425 190 HA THR 30 HA THR 30 -7.900 4.097 -8.656 191 HB THR 30 HB THR 30 -7.733 5.248 -6.483 192 HG1 THR 30 HG1 THR 30 -8.256 6.433 -8.761 193 HG21 THR 30 HG21 THR 30 -6.089 6.952 -6.175 194 HG22 THR 30 HG22 THR 30 -5.464 6.638 -7.632 195 HG23 THR 30 HG23 THR 30 -5.335 5.548 -6.445 196 H GLU 31 H GLU 31 -4.678 3.937 -9.069 197 HA GLU 31 HA GLU 31 -4.617 5.969 -11.106 198 HB2 GLU 31 HB2 GLU 31 -2.363 4.526 -10.021 199 HB3 GLU 31 HB3 GLU 31 -2.255 5.792 -11.046 200 HG2 GLU 31 HG2 GLU 31 -3.230 7.163 -9.307 201 HG3 GLU 31 HG3 GLU 31 -3.058 5.891 -8.297 202 HA PRO 32 HA PRO 32 -4.620 2.738 -14.074 203 HB2 PRO 32 HB2 PRO 32 -3.981 4.047 -16.303 204 HB3 PRO 32 HB3 PRO 32 -5.408 4.404 -15.594 205 HG2 PRO 32 HG2 PRO 32 -2.917 5.807 -15.299 206 HG3 PRO 32 HG3 PRO 32 -4.386 6.453 -15.601 207 HD2 PRO 32 HD2 PRO 32 -3.430 6.411 -13.186 208 HD3 PRO 32 HD3 PRO 32 -5.036 6.277 -13.446 209 H LEU 33 H LEU 33 -3.279 1.362 -15.369 210 HA LEU 33 HA LEU 33 -0.455 1.982 -15.359 211 HB2 LEU 33 HB2 LEU 33 -0.993 0.663 -13.373 212 HB3 LEU 33 HB3 LEU 33 -1.404 -0.555 -14.379 213 HG LEU 33 HG LEU 33 0.928 -0.517 -15.158 214 HD11 LEU 33 HD11 LEU 33 2.529 0.467 -13.685 215 HD12 LEU 33 HD12 LEU 33 1.336 1.066 -12.773 216 HD13 LEU 33 HD13 LEU 33 1.556 1.613 -14.279 217 HD21 LEU 33 HD21 LEU 33 1.662 -1.850 -13.307 218 HD22 LEU 33 HD22 LEU 33 0.135 -2.227 -13.681 219 HD23 LEU 33 HD23 LEU 33 0.446 -1.279 -12.408 220 H ASN 34 H ASN 34 0.653 1.293 -17.152 221 HA ASN 34 HA ASN 34 -0.844 0.174 -19.273 222 HB2 ASN 34 HB2 ASN 34 1.093 1.648 -19.540 223 HB3 ASN 34 HB3 ASN 34 2.031 0.369 -19.148 224 HD21 ASN 34 HD21 ASN 34 0.491 0.740 -22.830 225 HD22 ASN 34 HD22 ASN 34 0.197 1.882 -21.561 226 H GLY 35 H GLY 35 -0.772 -2.041 -20.046 227 HA2 GLY 35 HA2 GLY 35 0.162 -4.138 -20.123 228 HA3 GLY 35 HA3 GLY 35 1.128 -3.798 -18.850 229 H TRP 36 H TRP 36 -1.834 -2.832 -18.025 230 HA TRP 36 HA TRP 36 -2.472 -4.656 -16.127 231 HB2 TRP 36 HB2 TRP 36 -3.561 -2.505 -16.603 232 HB3 TRP 36 HB3 TRP 36 -4.427 -3.276 -17.753 233 HD1 TRP 36 HD1 TRP 36 -6.325 -4.949 -16.914 234 HE1 TRP 36 HE1 TRP 36 -7.634 -5.206 -14.784 235 HE3 TRP 36 HE3 TRP 36 -3.392 -2.114 -14.043 236 HZ2 TRP 36 HZ2 TRP 36 -7.304 -4.234 -12.166 237 HZ3 TRP 36 HZ3 TRP 36 -3.916 -1.893 -11.718 238 HH2 TRP 36 HH2 TRP 36 -5.842 -2.964 -10.792 239 H ALA 37 H ALA 37 -3.231 -6.729 -15.988 240 HA ALA 37 HA ALA 37 -4.220 -7.878 -18.393 241 HB1 ALA 37 HB1 ALA 37 -1.825 -8.225 -18.464 242 HB2 ALA 37 HB2 ALA 37 -2.580 -9.652 -18.386 243 HB3 ALA 37 HB3 ALA 37 -1.902 -9.023 -17.060 244 H VAL 38 H VAL 38 -5.049 -10.144 -18.265 245 HA VAL 38 HA VAL 38 -5.707 -10.865 -15.579 246 HB VAL 38 HB VAL 38 -7.504 -11.608 -17.712 247 HG11 VAL 38 HG11 VAL 38 -9.150 -11.766 -15.939 248 HG12 VAL 38 HG12 VAL 38 -8.041 -11.276 -14.869 249 HG13 VAL 38 HG13 VAL 38 -7.880 -12.708 -15.603 250 HG21 VAL 38 HG21 VAL 38 -8.882 -9.663 -17.272 251 HG22 VAL 38 HG22 VAL 38 -7.429 -9.204 -17.815 252 HG23 VAL 38 HG23 VAL 38 -7.769 -9.112 -16.237 253 H GLN 39 H GLN 39 -5.504 -13.163 -15.027 254 HA GLN 39 HA GLN 39 -4.472 -14.660 -17.230 255 HB2 GLN 39 HB2 GLN 39 -3.389 -14.869 -14.538 256 HB3 GLN 39 HB3 GLN 39 -2.717 -15.523 -15.876 257 HG2 GLN 39 HG2 GLN 39 -2.291 -13.240 -16.645 258 HG3 GLN 39 HG3 GLN 39 -2.722 -12.736 -15.152 259 HE21 GLN 39 HE21 GLN 39 0.108 -14.400 -13.581 260 HE22 GLN 39 HE22 GLN 39 -1.616 -14.418 -13.421 261 H TRP 40 H TRP 40 -4.711 -16.952 -17.294 262 HA TRP 40 HA TRP 40 -5.745 -18.224 -14.991 263 HB2 TRP 40 HB2 TRP 40 -7.773 -19.003 -15.795 264 HB3 TRP 40 HB3 TRP 40 -7.767 -17.405 -16.134 265 HD1 TRP 40 HD1 TRP 40 -7.688 -20.681 -17.857 266 HE1 TRP 40 HE1 TRP 40 -8.404 -20.504 -20.246 267 HE3 TRP 40 HE3 TRP 40 -7.788 -15.699 -18.087 268 HZ2 TRP 40 HZ2 TRP 40 -9.008 -18.349 -21.941 269 HZ3 TRP 40 HZ3 TRP 40 -8.397 -14.650 -20.178 270 HH2 TRP 40 HH2 TRP 40 -8.992 -15.966 -22.067 271 H GLN 41 H GLN 41 -6.027 -20.616 -15.274 272 HA GLN 41 HA GLN 41 -4.314 -21.598 -17.385 273 HB2 GLN 41 HB2 GLN 41 -3.186 -21.607 -15.246 274 HB3 GLN 41 HB3 GLN 41 -4.302 -22.678 -14.721 275 HG2 GLN 41 HG2 GLN 41 -3.537 -24.297 -16.151 276 HG3 GLN 41 HG3 GLN 41 -2.599 -23.227 -16.953 277 HE21 GLN 41 HE21 GLN 41 0.205 -24.099 -15.147 278 HE22 GLN 41 HE22 GLN 41 -0.474 -23.570 -16.651 279 HA PRO 42 HA PRO 42 -8.034 -23.760 -17.718 280 HB2 PRO 42 HB2 PRO 42 -7.716 -25.198 -19.938 281 HB3 PRO 42 HB3 PRO 42 -7.864 -23.577 -20.077 282 HG2 PRO 42 HG2 PRO 42 -5.464 -25.114 -20.042 283 HG3 PRO 42 HG3 PRO 42 -5.882 -23.934 -21.092 284 HD2 PRO 42 HD2 PRO 42 -4.323 -23.401 -19.068 285 HD3 PRO 42 HD3 PRO 42 -5.377 -22.278 -19.609 286 H GLY 43 H GLY 43 -9.069 -25.561 -17.066 287 HA2 GLY 43 HA2 GLY 43 -7.416 -27.378 -15.710 288 HA3 GLY 43 HA3 GLY 43 -9.041 -27.471 -15.842 289 H GLY 44 H GLY 44 -7.476 -29.747 -15.886 290 HA2 GLY 44 HA2 GLY 44 -6.980 -30.621 -18.481 291 HA3 GLY 44 HA3 GLY 44 -7.292 -31.601 -17.213 292 H GLY 45 H GLY 45 -8.175 -31.516 -20.107 293 HA2 GLY 45 HA2 GLY 45 -10.096 -32.294 -21.058 294 HA3 GLY 45 HA3 GLY 45 -10.881 -32.204 -19.629 295 H THR 46 H THR 46 -9.365 -29.391 -20.172 296 HA THR 46 HA THR 46 -11.564 -28.267 -21.615 297 HB THR 46 HB THR 46 -10.369 -26.940 -19.304 298 HG1 THR 46 HG1 THR 46 -12.838 -28.160 -19.360 299 HG21 THR 46 HG21 THR 46 -12.240 -25.404 -19.453 300 HG22 THR 46 HG22 THR 46 -12.818 -26.211 -20.730 301 HG23 THR 46 HG23 THR 46 -11.439 -25.375 -20.857 302 H THR 47 H THR 47 -11.093 -26.513 -23.047 303 HA THR 47 HA THR 47 -8.479 -25.433 -22.918 304 HB THR 47 HB THR 47 -8.147 -27.481 -24.292 305 HG1 THR 47 HG1 THR 47 -6.724 -26.484 -25.476 306 HG21 THR 47 HG21 THR 47 -9.055 -27.547 -26.477 307 HG22 THR 47 HG22 THR 47 -9.839 -26.156 -26.223 308 HG23 THR 47 HG23 THR 47 -10.275 -27.488 -25.417 309 H LEU 48 H LEU 48 -8.038 -23.616 -24.331 310 HA LEU 48 HA LEU 48 -10.541 -22.248 -24.562 311 HB2 LEU 48 HB2 LEU 48 -9.351 -20.223 -24.253 312 HB3 LEU 48 HB3 LEU 48 -9.083 -21.256 -23.017 313 HG LEU 48 HG LEU 48 -7.062 -21.529 -24.853 314 HD11 LEU 48 HD11 LEU 48 -6.168 -19.244 -24.697 315 HD12 LEU 48 HD12 LEU 48 -7.482 -18.787 -23.874 316 HD13 LEU 48 HD13 LEU 48 -7.608 -19.203 -25.431 317 HD21 LEU 48 HD21 LEU 48 -5.655 -21.116 -23.012 318 HD22 LEU 48 HD22 LEU 48 -6.797 -22.193 -22.625 319 HD23 LEU 48 HD23 LEU 48 -6.929 -20.661 -22.126 320 H GLY 49 H GLY 49 -10.920 -20.681 -26.274 321 HA2 GLY 49 HA2 GLY 49 -9.358 -21.285 -28.629 322 HA3 GLY 49 HA3 GLY 49 -10.964 -20.995 -28.679 323 H GLY 50 H GLY 50 -11.802 -18.917 -28.627 324 HA2 GLY 50 HA2 GLY 50 -9.802 -16.956 -29.276 325 HA3 GLY 50 HA3 GLY 50 -11.393 -16.849 -29.627 326 H VAL 51 H VAL 51 -10.154 -14.653 -28.632 327 HA VAL 51 HA VAL 51 -11.220 -14.441 -25.966 328 HB VAL 51 HB VAL 51 -8.605 -13.387 -26.753 329 HG11 VAL 51 HG11 VAL 51 -8.295 -12.748 -24.530 330 HG12 VAL 51 HG12 VAL 51 -9.791 -13.244 -24.168 331 HG13 VAL 51 HG13 VAL 51 -9.575 -11.992 -25.167 332 HG21 VAL 51 HG21 VAL 51 -7.677 -15.028 -25.223 333 HG22 VAL 51 HG22 VAL 51 -8.521 -15.793 -26.370 334 HG23 VAL 51 HG23 VAL 51 -9.163 -15.578 -24.902 335 H TRP 52 H TRP 52 -12.261 -12.495 -25.477 336 HA TRP 52 HA TRP 52 -12.274 -10.552 -27.580 337 HB2 TRP 52 HB2 TRP 52 -14.710 -10.260 -27.067 338 HB3 TRP 52 HB3 TRP 52 -14.275 -11.527 -28.000 339 HD1 TRP 52 HD1 TRP 52 -14.496 -13.979 -26.842 340 HE1 TRP 52 HE1 TRP 52 -16.096 -14.891 -25.142 341 HE3 TRP 52 HE3 TRP 52 -15.811 -9.635 -24.795 342 HZ2 TRP 52 HZ2 TRP 52 -17.668 -13.759 -23.110 343 HZ3 TRP 52 HZ3 TRP 52 -17.414 -9.617 -23.019 344 HH2 TRP 52 HH2 TRP 52 -18.329 -11.680 -22.180 345 H ASN 53 H ASN 53 -13.011 -8.358 -26.980 346 HA ASN 53 HA ASN 53 -12.633 -6.575 -25.737 347 HB2 ASN 53 HB2 ASN 53 -13.704 -8.273 -23.708 348 HB3 ASN 53 HB3 ASN 53 -13.060 -6.855 -23.215 349 HD21 ASN 53 HD21 ASN 53 -16.776 -6.718 -24.067 350 HD22 ASN 53 HD22 ASN 53 -15.857 -7.887 -23.180 351 H GLY 54 H GLY 54 -10.498 -8.657 -26.109 352 HA2 GLY 54 HA2 GLY 54 -8.413 -7.212 -25.002 353 HA3 GLY 54 HA3 GLY 54 -8.658 -8.551 -24.100 354 H SER 55 H SER 55 -6.275 -8.436 -25.227 355 HA SER 55 HA SER 55 -6.424 -10.417 -27.361 356 HB2 SER 55 HB2 SER 55 -5.603 -8.417 -28.297 357 HB3 SER 55 HB3 SER 55 -4.492 -8.282 -27.107 358 HG SER 55 HG SER 55 -4.455 -10.559 -28.606 359 H LEU 56 H LEU 56 -4.900 -12.190 -27.195 360 HA LEU 56 HA LEU 56 -3.927 -12.387 -24.525 361 HB2 LEU 56 HB2 LEU 56 -4.698 -14.504 -24.383 362 HB3 LEU 56 HB3 LEU 56 -5.736 -13.925 -25.503 363 HG LEU 56 HG LEU 56 -3.425 -15.409 -26.295 364 HD11 LEU 56 HD11 LEU 56 -4.797 -17.394 -26.313 365 HD12 LEU 56 HD12 LEU 56 -6.014 -16.555 -25.657 366 HD13 LEU 56 HD13 LEU 56 -4.666 -16.823 -24.806 367 HD21 LEU 56 HD21 LEU 56 -4.737 -15.859 -28.289 368 HD22 LEU 56 HD22 LEU 56 -4.598 -14.261 -28.079 369 HD23 LEU 56 HD23 LEU 56 -5.970 -15.014 -27.672 370 H THR 57 H THR 57 -2.065 -13.464 -23.890 371 HA THR 57 HA THR 57 -0.386 -14.448 -25.983 372 HB THR 57 HB THR 57 1.611 -13.462 -24.963 373 HG1 THR 57 HG1 THR 57 0.594 -11.655 -23.465 374 HG21 THR 57 HG21 THR 57 1.225 -11.191 -25.685 375 HG22 THR 57 HG22 THR 57 -0.373 -11.439 -25.670 376 HG23 THR 57 HG23 THR 57 0.553 -12.193 -26.762 377 H SER 58 H SER 58 1.537 -15.779 -24.925 378 HA SER 58 HA SER 58 0.348 -17.439 -22.936 379 HB2 SER 58 HB2 SER 58 2.302 -18.903 -23.464 380 HB3 SER 58 HB3 SER 58 1.373 -18.584 -24.769 381 HG SER 58 HG SER 58 3.808 -17.535 -24.115 382 H GLY 59 H GLY 59 1.275 -18.034 -20.933 383 HA2 GLY 59 HA2 GLY 59 3.007 -15.987 -19.867 384 HA3 GLY 59 HA3 GLY 59 2.040 -16.967 -18.988 385 H SER 60 H SER 60 4.740 -16.483 -18.361 386 HA SER 60 HA SER 60 6.288 -18.620 -19.262 387 HB2 SER 60 HB2 SER 60 6.741 -16.922 -16.926 388 HB3 SER 60 HB3 SER 60 7.873 -17.937 -17.521 389 HG SER 60 HG SER 60 7.604 -16.756 -19.530 390 H ASP 61 H ASP 61 3.955 -18.348 -16.824 391 HA ASP 61 HA ASP 61 4.954 -20.585 -15.429 392 HB2 ASP 61 HB2 ASP 61 2.590 -18.951 -14.919 393 HB3 ASP 61 HB3 ASP 61 3.037 -20.156 -13.911 394 H GLY 62 H GLY 62 3.789 -20.837 -18.163 395 HA2 GLY 62 HA2 GLY 62 2.635 -22.518 -19.158 396 HA3 GLY 62 HA3 GLY 62 2.413 -23.237 -17.708 397 H THR 63 H THR 63 1.474 -20.026 -18.004 398 HA THR 63 HA THR 63 -1.280 -20.808 -17.956 399 HB THR 63 HB THR 63 -1.671 -18.571 -16.920 400 HG1 THR 63 HG1 THR 63 1.067 -18.450 -17.133 401 HG21 THR 63 HG21 THR 63 -0.686 -19.097 -14.800 402 HG22 THR 63 HG22 THR 63 0.305 -20.163 -15.505 403 HG23 THR 63 HG23 THR 63 -1.283 -20.459 -15.436 404 H VAL 64 H VAL 64 -2.834 -18.973 -18.888 405 HA VAL 64 HA VAL 64 -1.516 -17.700 -21.100 406 HB VAL 64 HB VAL 64 -3.636 -17.430 -22.192 407 HG11 VAL 64 HG11 VAL 64 -3.775 -19.683 -22.985 408 HG12 VAL 64 HG12 VAL 64 -2.866 -20.173 -21.741 409 HG13 VAL 64 HG13 VAL 64 -2.232 -19.213 -22.878 410 HG21 VAL 64 HG21 VAL 64 -5.499 -18.790 -21.488 411 HG22 VAL 64 HG22 VAL 64 -5.125 -17.723 -20.333 412 HG23 VAL 64 HG23 VAL 64 -4.662 -19.266 -20.189 413 H THR 65 H THR 65 -2.156 -15.406 -21.456 414 HA THR 65 HA THR 65 -3.568 -14.249 -19.274 415 HB THR 65 HB THR 65 -1.278 -13.835 -18.715 416 HG1 THR 65 HG1 THR 65 -2.298 -11.454 -19.604 417 HG21 THR 65 HG21 THR 65 0.127 -12.576 -20.235 418 HG22 THR 65 HG22 THR 65 -1.080 -12.500 -21.309 419 HG23 THR 65 HG23 THR 65 -0.368 -13.917 -20.993 420 H VAL 66 H VAL 66 -4.788 -12.355 -19.795 421 HA VAL 66 HA VAL 66 -4.740 -11.630 -22.581 422 HB VAL 66 HB VAL 66 -6.997 -11.411 -20.762 423 HG11 VAL 66 HG11 VAL 66 -8.255 -10.659 -22.608 424 HG12 VAL 66 HG12 VAL 66 -6.930 -10.681 -23.534 425 HG13 VAL 66 HG13 VAL 66 -7.041 -9.635 -22.306 426 HG21 VAL 66 HG21 VAL 66 -8.000 -13.112 -22.128 427 HG22 VAL 66 HG22 VAL 66 -6.622 -13.672 -21.495 428 HG23 VAL 66 HG23 VAL 66 -6.664 -13.184 -23.036 429 H ARG 67 H ARG 67 -4.028 -9.513 -23.060 430 HA ARG 67 HA ARG 67 -3.890 -7.756 -20.817 431 HB2 ARG 67 HB2 ARG 67 -1.530 -7.449 -21.037 432 HB3 ARG 67 HB3 ARG 67 -1.836 -9.039 -20.827 433 HG2 ARG 67 HG2 ARG 67 -1.569 -9.335 -23.197 434 HG3 ARG 67 HG3 ARG 67 -1.091 -7.776 -23.289 435 HD2 ARG 67 HD2 ARG 67 0.659 -8.339 -21.680 436 HD3 ARG 67 HD3 ARG 67 0.266 -9.906 -21.920 437 HE ARG 67 HE ARG 67 0.730 -8.794 -24.408 438 HH11 ARG 67 HH11 ARG 67 2.717 -9.062 -25.484 439 HH12 ARG 67 HH12 ARG 67 4.113 -9.566 -24.591 440 HH21 ARG 67 HH21 ARG 67 2.489 -9.753 -21.530 441 HH22 ARG 67 HH22 ARG 67 3.987 -9.954 -22.376 442 H ASN 68 H ASN 68 -3.035 -5.557 -21.250 443 HA ASN 68 HA ASN 68 -3.065 -3.726 -22.462 444 HB2 ASN 68 HB2 ASN 68 -1.973 -5.450 -24.505 445 HB3 ASN 68 HB3 ASN 68 -1.943 -3.822 -24.635 446 HD21 ASN 68 HD21 ASN 68 0.889 -3.338 -22.747 447 HD22 ASN 68 HD22 ASN 68 -0.346 -2.629 -23.734 448 H VAL 69 H VAL 69 -5.494 -4.071 -22.228 449 HA VAL 69 HA VAL 69 -7.016 -4.468 -24.471 450 HB VAL 69 HB VAL 69 -7.407 -2.898 -22.034 451 HG11 VAL 69 HG11 VAL 69 -9.695 -2.492 -22.542 452 HG12 VAL 69 HG12 VAL 69 -9.491 -3.142 -24.008 453 HG13 VAL 69 HG13 VAL 69 -8.744 -1.760 -23.625 454 HG21 VAL 69 HG21 VAL 69 -8.992 -4.547 -21.428 455 HG22 VAL 69 HG22 VAL 69 -7.557 -5.226 -21.736 456 HG23 VAL 69 HG23 VAL 69 -8.743 -5.309 -22.832 457 H ASP 70 H ASP 70 -7.791 -3.260 -26.193 458 HA ASP 70 HA ASP 70 -6.395 -0.765 -26.513 459 HB2 ASP 70 HB2 ASP 70 -6.579 -0.990 -28.793 460 HB3 ASP 70 HB3 ASP 70 -6.320 -2.516 -28.272 461 H HIS 71 H HIS 71 -9.489 -2.005 -25.993 462 HA HIS 71 HA HIS 71 -10.822 0.180 -27.094 463 HB2 HIS 71 HB2 HIS 71 -12.865 -0.934 -26.414 464 HB3 HIS 71 HB3 HIS 71 -11.882 -1.942 -27.243 465 HD1 HIS 71 HD1 HIS 71 -12.921 -1.216 -23.719 466 HD2 HIS 71 HD2 HIS 71 -11.333 -4.266 -25.941 467 HE1 HIS 71 HE1 HIS 71 -12.888 -3.280 -22.321 468 HE2 HIS 71 HE2 HIS 71 -11.889 -5.120 -23.636 469 H ASN 72 H ASN 72 -9.042 0.518 -24.746 470 HA ASN 72 HA ASN 72 -10.830 2.249 -23.299 471 HB2 ASN 72 HB2 ASN 72 -10.198 1.576 -21.231 472 HB3 ASN 72 HB3 ASN 72 -10.306 0.163 -22.043 473 HD21 ASN 72 HD21 ASN 72 -7.141 0.474 -20.017 474 HD22 ASN 72 HD22 ASN 72 -8.735 1.043 -19.649 475 H ARG 73 H ARG 73 -8.612 2.338 -25.378 476 HA ARG 73 HA ARG 73 -6.418 3.573 -24.239 477 HB2 ARG 73 HB2 ARG 73 -6.519 2.599 -26.474 478 HB3 ARG 73 HB3 ARG 73 -7.266 3.966 -26.965 479 HG2 ARG 73 HG2 ARG 73 -5.330 5.222 -26.515 480 HG3 ARG 73 HG3 ARG 73 -4.582 3.896 -25.924 481 HD2 ARG 73 HD2 ARG 73 -3.794 4.231 -28.109 482 HD3 ARG 73 HD3 ARG 73 -4.738 2.898 -28.130 483 HE ARG 73 HE ARG 73 -5.466 5.464 -29.243 484 HH11 ARG 73 HH11 ARG 73 -5.864 1.962 -29.153 485 HH12 ARG 73 HH12 ARG 73 -7.048 1.969 -30.417 486 HH21 ARG 73 HH21 ARG 73 -7.092 5.416 -30.803 487 HH22 ARG 73 HH22 ARG 73 -7.733 3.899 -31.338 488 H VAL 74 H VAL 74 -9.412 4.872 -25.330 489 HA VAL 74 HA VAL 74 -8.416 7.436 -25.486 490 HB VAL 74 HB VAL 74 -11.266 6.754 -25.336 491 HG11 VAL 74 HG11 VAL 74 -11.655 8.798 -26.537 492 HG12 VAL 74 HG12 VAL 74 -10.068 9.106 -26.533 493 HG13 VAL 74 HG13 VAL 74 -10.896 9.113 -25.144 494 HG21 VAL 74 HG21 VAL 74 -11.289 6.642 -27.737 495 HG22 VAL 74 HG22 VAL 74 -10.272 5.532 -27.147 496 HG23 VAL 74 HG23 VAL 74 -9.694 6.907 -27.770 497 H VAL 75 H VAL 75 -10.317 5.758 -23.107 498 HA VAL 75 HA VAL 75 -9.932 7.977 -21.332 499 HB VAL 75 HB VAL 75 -12.195 6.137 -21.242 500 HG11 VAL 75 HG11 VAL 75 -13.095 7.537 -19.482 501 HG12 VAL 75 HG12 VAL 75 -11.763 8.453 -19.528 502 HG13 VAL 75 HG13 VAL 75 -11.673 6.920 -19.021 503 HG21 VAL 75 HG21 VAL 75 -13.562 8.039 -21.905 504 HG22 VAL 75 HG22 VAL 75 -12.447 7.747 -23.040 505 HG23 VAL 75 HG23 VAL 75 -12.236 8.961 -21.993 506 HA PRO 76 HA PRO 76 -7.770 4.754 -19.177 507 HB2 PRO 76 HB2 PRO 76 -6.691 6.150 -17.198 508 HB3 PRO 76 HB3 PRO 76 -6.085 6.359 -18.701 509 HG2 PRO 76 HG2 PRO 76 -8.080 7.937 -17.404 510 HG3 PRO 76 HG3 PRO 76 -6.699 8.462 -18.099 511 HD2 PRO 76 HD2 PRO 76 -8.883 8.555 -19.473 512 HD3 PRO 76 HD3 PRO 76 -7.507 8.105 -20.228 513 HA PRO 77 HA PRO 77 -10.639 3.577 -16.420 514 HB2 PRO 77 HB2 PRO 77 -9.382 1.853 -14.735 515 HB3 PRO 77 HB3 PRO 77 -9.562 1.426 -16.301 516 HG2 PRO 77 HG2 PRO 77 -7.306 2.684 -15.092 517 HG3 PRO 77 HG3 PRO 77 -7.317 1.347 -16.030 518 HD2 PRO 77 HD2 PRO 77 -6.761 3.629 -17.141 519 HD3 PRO 77 HD3 PRO 77 -7.704 2.578 -17.962 520 H ASP 78 H ASP 78 -11.822 3.819 -14.665 521 HA ASP 78 HA ASP 78 -10.536 4.949 -12.352 522 HB2 ASP 78 HB2 ASP 78 -12.055 6.675 -12.112 523 HB3 ASP 78 HB3 ASP 78 -11.485 6.769 -13.640 524 H GLY 79 H GLY 79 -11.784 2.394 -13.362 525 HA2 GLY 79 HA2 GLY 79 -13.285 1.660 -11.127 526 HA3 GLY 79 HA3 GLY 79 -14.296 2.000 -12.363 527 H SER 80 H SER 80 -15.006 -0.226 -12.282 528 HA SER 80 HA SER 80 -13.105 -2.202 -12.893 529 HB2 SER 80 HB2 SER 80 -15.153 -3.646 -12.918 530 HB3 SER 80 HB3 SER 80 -14.908 -2.862 -11.506 531 HG SER 80 HG SER 80 -16.284 -1.212 -12.585 532 H VAL 81 H VAL 81 -12.951 -3.554 -14.731 533 HA VAL 81 HA VAL 81 -14.268 -2.515 -17.041 534 HB VAL 81 HB VAL 81 -12.174 -2.801 -18.363 535 HG11 VAL 81 HG11 VAL 81 -11.061 -0.829 -17.551 536 HG12 VAL 81 HG12 VAL 81 -11.890 -0.918 -16.165 537 HG13 VAL 81 HG13 VAL 81 -12.659 -0.585 -17.548 538 HG21 VAL 81 HG21 VAL 81 -10.126 -3.167 -17.163 539 HG22 VAL 81 HG22 VAL 81 -11.124 -4.417 -16.927 540 HG23 VAL 81 HG23 VAL 81 -10.950 -3.293 -15.777 541 H THR 82 H THR 82 -14.346 -4.052 -18.944 542 HA THR 82 HA THR 82 -14.484 -6.679 -17.835 543 HB THR 82 HB THR 82 -16.070 -6.710 -20.110 544 HG1 THR 82 HG1 THR 82 -16.436 -4.790 -20.693 545 HG21 THR 82 HG21 THR 82 -17.996 -6.526 -18.673 546 HG22 THR 82 HG22 THR 82 -17.070 -5.956 -17.477 547 HG23 THR 82 HG23 THR 82 -16.912 -7.491 -17.960 548 H PHE 83 H PHE 83 -13.960 -8.588 -18.753 549 HA PHE 83 HA PHE 83 -12.631 -8.467 -21.298 550 HB2 PHE 83 HB2 PHE 83 -11.784 -9.905 -18.915 551 HB3 PHE 83 HB3 PHE 83 -11.198 -10.319 -20.382 552 HD1 PHE 83 HD1 PHE 83 -9.268 -9.324 -21.181 553 HD2 PHE 83 HD2 PHE 83 -11.392 -7.420 -18.207 554 HE1 PHE 83 HE1 PHE 83 -7.464 -7.789 -20.902 555 HE2 PHE 83 HE2 PHE 83 -9.641 -5.810 -17.991 556 HZ PHE 83 HZ PHE 83 -7.656 -6.007 -19.289 557 H GLY 84 H GLY 84 -12.413 -10.941 -22.180 558 HA2 GLY 84 HA2 GLY 84 -14.247 -12.757 -21.143 559 HA3 GLY 84 HA3 GLY 84 -14.893 -12.028 -22.454 560 H PHE 85 H PHE 85 -14.535 -14.772 -22.346 561 HA PHE 85 HA PHE 85 -12.920 -15.065 -24.653 562 HB2 PHE 85 HB2 PHE 85 -11.504 -16.795 -23.790 563 HB3 PHE 85 HB3 PHE 85 -11.276 -15.414 -22.947 564 HD1 PHE 85 HD1 PHE 85 -11.925 -15.264 -20.595 565 HD2 PHE 85 HD2 PHE 85 -12.555 -18.724 -22.759 566 HE1 PHE 85 HE1 PHE 85 -12.510 -16.413 -18.582 567 HE2 PHE 85 HE2 PHE 85 -13.023 -19.905 -20.739 568 HZ PHE 85 HZ PHE 85 -13.098 -18.743 -18.654 569 H THR 86 H THR 86 -12.923 -17.410 -25.527 570 HA THR 86 HA THR 86 -15.306 -18.709 -24.633 571 HB THR 86 HB THR 86 -15.764 -17.878 -26.913 572 HG1 THR 86 HG1 THR 86 -16.939 -19.570 -26.899 573 HG21 THR 86 HG21 THR 86 -14.466 -18.656 -28.761 574 HG22 THR 86 HG22 THR 86 -13.513 -19.503 -27.766 575 HG23 THR 86 HG23 THR 86 -13.482 -17.886 -27.734 576 H ALA 87 H ALA 87 -15.334 -21.115 -24.913 577 HA ALA 87 HA ALA 87 -12.799 -22.312 -25.298 578 HB1 ALA 87 HB1 ALA 87 -12.680 -21.540 -22.964 579 HB2 ALA 87 HB2 ALA 87 -12.695 -23.157 -22.975 580 HB3 ALA 87 HB3 ALA 87 -14.046 -22.338 -22.631 581 H THR 88 H THR 88 -12.780 -24.691 -25.037 582 HA THR 88 HA THR 88 -15.404 -25.778 -25.254 583 HB THR 88 HB THR 88 -14.256 -27.647 -26.638 584 HG1 THR 88 HG1 THR 88 -12.249 -27.406 -26.914 585 HG21 THR 88 HG21 THR 88 -14.523 -26.393 -28.645 586 HG22 THR 88 HG22 THR 88 -14.506 -25.007 -27.813 587 HG23 THR 88 HG23 THR 88 -15.751 -26.026 -27.659 588 H SER 89 H SER 89 -15.731 -28.001 -24.419 589 HA SER 89 HA SER 89 -13.655 -28.873 -22.691 590 HB2 SER 89 HB2 SER 89 -14.943 -27.436 -21.249 591 HB3 SER 89 HB3 SER 89 -16.298 -28.275 -21.606 592 HG SER 89 HG SER 89 -15.004 -28.727 -19.623 593 H THR 90 H THR 90 -13.604 -31.048 -22.180 594 HA THR 90 HA THR 90 -15.393 -32.697 -23.635 595 HB THR 90 HB THR 90 -14.055 -34.559 -22.796 596 HG1 THR 90 HG1 THR 90 -13.519 -33.562 -20.830 597 HG21 THR 90 HG21 THR 90 -12.052 -33.980 -24.019 598 HG22 THR 90 HG22 THR 90 -12.456 -32.415 -23.968 599 HG23 THR 90 HG23 THR 90 -13.331 -33.447 -24.853 600 H GLY 91 H GLY 91 -15.560 -31.107 -20.818 601 HA2 GLY 91 HA2 GLY 91 -17.831 -31.803 -19.875 602 HA3 GLY 91 HA3 GLY 91 -16.992 -33.116 -19.387 603 H ASN 92 H ASN 92 -14.550 -31.755 -18.703 604 HA ASN 92 HA ASN 92 -15.172 -31.157 -16.102 605 HB2 ASN 92 HB2 ASN 92 -12.911 -31.767 -16.744 606 HB3 ASN 92 HB3 ASN 92 -12.766 -30.376 -17.588 607 HD21 ASN 92 HD21 ASN 92 -11.020 -29.051 -14.900 608 HD22 ASN 92 HD22 ASN 92 -11.030 -29.425 -16.591 609 H ASP 93 H ASP 93 -15.531 -29.363 -14.875 610 HA ASP 93 HA ASP 93 -15.852 -26.901 -16.361 611 HB2 ASP 93 HB2 ASP 93 -17.469 -27.809 -14.139 612 HB3 ASP 93 HB3 ASP 93 -17.723 -26.413 -14.948 613 H PHE 94 H PHE 94 -13.768 -28.136 -14.380 614 HA PHE 94 HA PHE 94 -13.671 -25.904 -12.536 615 HB2 PHE 94 HB2 PHE 94 -12.472 -28.500 -12.082 616 HB3 PHE 94 HB3 PHE 94 -12.666 -27.330 -10.959 617 HD1 PHE 94 HD1 PHE 94 -15.293 -26.559 -10.868 618 HD2 PHE 94 HD2 PHE 94 -13.886 -30.327 -11.799 619 HE1 PHE 94 HE1 PHE 94 -17.385 -27.502 -10.179 620 HE2 PHE 94 HE2 PHE 94 -16.023 -31.242 -11.281 621 HZ PHE 94 HZ PHE 94 -17.788 -29.832 -10.497 622 HA PRO 95 HA PRO 95 -9.781 -24.953 -14.276 623 HB2 PRO 95 HB2 PRO 95 -8.961 -22.959 -12.712 624 HB3 PRO 95 HB3 PRO 95 -10.322 -22.697 -13.577 625 HG2 PRO 95 HG2 PRO 95 -10.130 -23.566 -10.855 626 HG3 PRO 95 HG3 PRO 95 -11.048 -22.353 -11.447 627 HD2 PRO 95 HD2 PRO 95 -12.072 -24.753 -11.066 628 HD3 PRO 95 HD3 PRO 95 -12.626 -23.792 -12.264 629 H VAL 96 H VAL 96 -7.342 -24.615 -13.642 630 HA VAL 96 HA VAL 96 -6.711 -26.821 -12.058 631 HB VAL 96 HB VAL 96 -4.851 -24.746 -12.914 632 HG11 VAL 96 HG11 VAL 96 -3.155 -26.413 -12.673 633 HG12 VAL 96 HG12 VAL 96 -4.263 -27.470 -12.153 634 HG13 VAL 96 HG13 VAL 96 -3.899 -26.173 -11.258 635 HG21 VAL 96 HG21 VAL 96 -4.344 -26.100 -14.799 636 HG22 VAL 96 HG22 VAL 96 -5.906 -25.679 -14.822 637 HG23 VAL 96 HG23 VAL 96 -5.475 -27.164 -14.349 638 H ASP 97 H ASP 97 -6.665 -23.399 -11.497 639 HA ASP 97 HA ASP 97 -6.666 -23.796 -8.680 640 HB2 ASP 97 HB2 ASP 97 -4.283 -23.564 -9.451 641 HB3 ASP 97 HB3 ASP 97 -4.649 -21.978 -9.586 642 H SER 98 H SER 98 -7.087 -21.539 -7.555 643 HA SER 98 HA SER 98 -9.133 -20.290 -8.918 644 HB2 SER 98 HB2 SER 98 -8.421 -18.634 -6.888 645 HB3 SER 98 HB3 SER 98 -9.549 -19.810 -6.780 646 HG SER 98 HG SER 98 -7.605 -19.807 -5.359 647 H ILE 99 H ILE 99 -9.366 -18.320 -9.983 648 HA ILE 99 HA ILE 99 -6.847 -17.564 -11.031 649 HB ILE 99 HB ILE 99 -8.080 -16.747 -13.002 650 HG12 ILE 99 HG12 ILE 99 -10.442 -17.669 -11.635 651 HG13 ILE 99 HG13 ILE 99 -10.061 -16.093 -11.829 652 HG21 ILE 99 HG21 ILE 99 -8.847 -18.882 -13.788 653 HG22 ILE 99 HG22 ILE 99 -8.805 -19.456 -12.277 654 HG23 ILE 99 HG23 ILE 99 -7.431 -19.048 -13.026 655 HD11 ILE 99 HD11 ILE 99 -11.725 -16.731 -13.407 656 HD12 ILE 99 HD12 ILE 99 -10.749 -17.877 -13.996 657 HD13 ILE 99 HD13 ILE 99 -10.371 -16.317 -14.188 658 H GLY 100 H GLY 100 -6.561 -15.276 -11.966 659 HA2 GLY 100 HA2 GLY 100 -7.891 -13.265 -10.468 660 HA3 GLY 100 HA3 GLY 100 -6.360 -13.531 -9.965 661 H CYS 101 H CYS 101 -6.619 -11.048 -10.622 662 HA CYS 101 HA CYS 101 -5.677 -10.789 -13.377 663 HB2 CYS 101 HB2 CYS 101 -6.143 -8.471 -13.063 664 HB3 CYS 101 HB3 CYS 101 -7.407 -9.486 -13.255 665 H VAL 102 H VAL 102 -3.966 -9.076 -13.713 666 HA VAL 102 HA VAL 102 -2.321 -8.849 -11.438 667 HB VAL 102 HB VAL 102 -0.289 -9.476 -12.755 668 HG11 VAL 102 HG11 VAL 102 -0.663 -11.870 -12.569 669 HG12 VAL 102 HG12 VAL 102 -2.254 -11.616 -12.432 670 HG13 VAL 102 HG13 VAL 102 -1.253 -11.130 -11.258 671 HG21 VAL 102 HG21 VAL 102 -0.588 -10.654 -14.790 672 HG22 VAL 102 HG22 VAL 102 -1.153 -9.144 -14.923 673 HG23 VAL 102 HG23 VAL 102 -2.180 -10.377 -14.724 674 H ALA 103 H ALA 103 -0.954 -7.078 -11.281 675 HA ALA 103 HA ALA 103 -0.949 -5.253 -13.534 676 HB1 ALA 103 HB1 ALA 103 -1.992 -4.274 -11.664 677 HB2 ALA 103 HB2 ALA 103 -0.582 -3.526 -11.919 678 HB3 ALA 103 HB3 ALA 103 -0.714 -4.618 -10.735 679 HA PRO 104 HA PRO 104 3.227 -6.928 -12.981 680 HB2 PRO 104 HB2 PRO 104 3.905 -7.258 -15.494 681 HB3 PRO 104 HB3 PRO 104 2.819 -8.296 -14.852 682 HG2 PRO 104 HG2 PRO 104 2.331 -6.008 -16.423 683 HG3 PRO 104 HG3 PRO 104 1.724 -7.513 -16.608 684 HD2 PRO 104 HD2 PRO 104 0.359 -5.659 -15.412 685 HD3 PRO 104 HD3 PRO 104 0.205 -7.227 -14.982 Start of MODEL 8 1 H1 HIS 1 H1 HIS 1 5.178 -4.891 -5.337 2 H2 HIS 1 H2 HIS 1 4.304 -4.902 -6.698 3 H3 HIS 1 H3 HIS 1 3.646 -4.374 -5.318 4 HA HIS 1 HA HIS 1 5.104 -2.549 -5.290 5 HB2 HIS 1 HB2 HIS 1 6.115 -3.656 -7.768 6 HB3 HIS 1 HB3 HIS 1 6.456 -2.127 -7.307 7 HD1 HIS 1 HD1 HIS 1 7.631 -5.522 -6.991 8 HD2 HIS 1 HD2 HIS 1 8.111 -2.008 -4.943 9 HE1 HIS 1 HE1 HIS 1 9.591 -5.761 -5.479 10 HE2 HIS 1 HE2 HIS 1 9.904 -3.651 -4.224 11 H THR 2 H THR 2 3.326 -1.255 -5.312 12 HA THR 2 HA THR 2 1.400 -0.463 -6.055 13 HB THR 2 HB THR 2 1.523 0.936 -8.043 14 HG1 THR 2 HG1 THR 2 4.040 0.025 -8.554 15 HG21 THR 2 HG21 THR 2 3.425 2.254 -7.354 16 HG22 THR 2 HG22 THR 2 3.998 1.006 -6.499 17 HG23 THR 2 HG23 THR 2 2.644 1.754 -6.029 18 H GLY 3 H GLY 3 0.315 -0.248 -8.769 19 HA2 GLY 3 HA2 GLY 3 -0.822 -1.499 -10.228 20 HA3 GLY 3 HA3 GLY 3 0.376 -2.604 -10.116 21 H SER 4 H SER 4 -1.705 -1.815 -7.473 22 HA SER 4 HA SER 4 -2.415 -4.515 -7.198 23 HB2 SER 4 HB2 SER 4 -2.174 -3.130 -5.240 24 HB3 SER 4 HB3 SER 4 -3.483 -2.266 -5.696 25 HG SER 4 HG SER 4 -4.755 -3.684 -4.921 26 H CYS 5 H CYS 5 -4.239 -5.608 -7.807 27 HA CYS 5 HA CYS 5 -6.504 -4.086 -8.656 28 HB2 CYS 5 HB2 CYS 5 -6.718 -5.296 -10.662 29 HB3 CYS 5 HB3 CYS 5 -5.388 -4.348 -10.638 30 H MET 6 H MET 6 -8.445 -5.521 -9.068 31 HA MET 6 HA MET 6 -8.200 -8.131 -7.842 32 HB2 MET 6 HB2 MET 6 -10.254 -6.224 -7.223 33 HB3 MET 6 HB3 MET 6 -10.412 -7.814 -6.884 34 HG2 MET 6 HG2 MET 6 -8.593 -7.715 -5.472 35 HG3 MET 6 HG3 MET 6 -8.378 -6.138 -5.839 36 HE1 MET 6 HE1 MET 6 -11.799 -7.814 -3.381 37 HE2 MET 6 HE2 MET 6 -10.491 -8.656 -3.824 38 HE3 MET 6 HE3 MET 6 -11.575 -8.202 -4.935 39 H ALA 7 H ALA 7 -9.656 -9.726 -8.828 40 HA ALA 7 HA ALA 7 -10.977 -8.740 -11.167 41 HB1 ALA 7 HB1 ALA 7 -8.838 -9.582 -11.919 42 HB2 ALA 7 HB2 ALA 7 -10.016 -10.509 -12.526 43 HB3 ALA 7 HB3 ALA 7 -9.162 -11.019 -11.252 44 H VAL 8 H VAL 8 -12.659 -10.030 -12.070 45 HA VAL 8 HA VAL 8 -13.612 -12.090 -10.317 46 HB VAL 8 HB VAL 8 -15.336 -10.020 -11.435 47 HG11 VAL 8 HG11 VAL 8 -17.134 -11.023 -10.197 48 HG12 VAL 8 HG12 VAL 8 -16.141 -12.196 -9.695 49 HG13 VAL 8 HG13 VAL 8 -16.536 -12.085 -11.259 50 HG21 VAL 8 HG21 VAL 8 -15.664 -9.272 -9.177 51 HG22 VAL 8 HG22 VAL 8 -14.099 -9.171 -9.572 52 HG23 VAL 8 HG23 VAL 8 -14.624 -10.393 -8.652 53 H TYR 9 H TYR 9 -14.308 -13.955 -11.383 54 HA TYR 9 HA TYR 9 -14.529 -13.739 -14.232 55 HB2 TYR 9 HB2 TYR 9 -13.058 -15.452 -13.704 56 HB3 TYR 9 HB3 TYR 9 -14.048 -16.032 -12.542 57 HD1 TYR 9 HD1 TYR 9 -15.622 -17.749 -13.040 58 HD2 TYR 9 HD2 TYR 9 -13.731 -15.765 -16.137 59 HE1 TYR 9 HE1 TYR 9 -16.578 -19.276 -14.603 60 HE2 TYR 9 HE2 TYR 9 -14.695 -17.292 -17.698 61 HH TYR 9 HH TYR 9 -16.411 -20.125 -16.755 62 H SER 10 H SER 10 -16.461 -14.093 -15.324 63 HA SER 10 HA SER 10 -18.586 -15.270 -13.779 64 HB2 SER 10 HB2 SER 10 -18.920 -12.996 -15.565 65 HB3 SER 10 HB3 SER 10 -20.164 -13.743 -14.815 66 HG SER 10 HG SER 10 -18.950 -11.769 -13.913 67 H VAL 11 H VAL 11 -20.026 -16.677 -14.862 68 HA VAL 11 HA VAL 11 -19.101 -17.589 -17.386 69 HB VAL 11 HB VAL 11 -21.345 -18.579 -15.828 70 HG11 VAL 11 HG11 VAL 11 -21.297 -20.520 -17.241 71 HG12 VAL 11 HG12 VAL 11 -20.119 -19.852 -18.126 72 HG13 VAL 11 HG13 VAL 11 -21.599 -19.200 -18.125 73 HG21 VAL 11 HG21 VAL 11 -19.893 -20.369 -15.162 74 HG22 VAL 11 HG22 VAL 11 -19.282 -18.952 -14.681 75 HG23 VAL 11 HG23 VAL 11 -18.676 -19.693 -15.984 76 H GLU 12 H GLU 12 -19.972 -17.003 -19.377 77 HA GLU 12 HA GLU 12 -22.117 -15.153 -19.365 78 HB2 GLU 12 HB2 GLU 12 -20.342 -14.867 -20.917 79 HB3 GLU 12 HB3 GLU 12 -20.681 -16.315 -21.591 80 HG2 GLU 12 HG2 GLU 12 -21.535 -14.803 -23.049 81 HG3 GLU 12 HG3 GLU 12 -22.838 -15.350 -22.231 82 H ASN 13 H ASN 13 -21.547 -18.225 -20.910 83 HA ASN 13 HA ASN 13 -24.112 -19.212 -20.370 84 HB2 ASN 13 HB2 ASN 13 -24.587 -17.753 -22.271 85 HB3 ASN 13 HB3 ASN 13 -23.613 -18.702 -23.175 86 HD21 ASN 13 HD21 ASN 13 -26.486 -20.331 -24.229 87 HD22 ASN 13 HD22 ASN 13 -25.212 -19.245 -24.672 88 H SER 14 H SER 14 -24.367 -21.496 -21.233 89 HA SER 14 HA SER 14 -21.921 -22.566 -22.277 90 HB2 SER 14 HB2 SER 14 -22.040 -24.472 -20.790 91 HB3 SER 14 HB3 SER 14 -21.891 -23.094 -19.927 92 HG SER 14 HG SER 14 -24.399 -23.988 -20.460 93 H TRP 15 H TRP 15 -22.169 -24.732 -23.319 94 HA TRP 15 HA TRP 15 -24.822 -25.451 -24.054 95 HB2 TRP 15 HB2 TRP 15 -24.450 -25.209 -26.408 96 HB3 TRP 15 HB3 TRP 15 -24.439 -23.762 -25.652 97 HD1 TRP 15 HD1 TRP 15 -22.149 -26.043 -27.464 98 HE1 TRP 15 HE1 TRP 15 -19.968 -24.954 -28.061 99 HE3 TRP 15 HE3 TRP 15 -22.842 -21.793 -24.933 100 HZ2 TRP 15 HZ2 TRP 15 -18.760 -22.501 -27.421 101 HZ3 TRP 15 HZ3 TRP 15 -21.129 -20.123 -24.982 102 HH2 TRP 15 HH2 TRP 15 -19.106 -20.478 -26.216 103 H SER 16 H SER 16 -24.660 -27.450 -25.683 104 HA SER 16 HA SER 16 -22.919 -29.251 -24.536 105 HB2 SER 16 HB2 SER 16 -23.501 -30.645 -26.573 106 HB3 SER 16 HB3 SER 16 -24.736 -30.236 -25.586 107 HG SER 16 HG SER 16 -24.037 -29.043 -27.962 108 H GLY 17 H GLY 17 -20.780 -29.384 -24.647 109 HA2 GLY 17 HA2 GLY 17 -18.915 -29.852 -25.939 110 HA3 GLY 17 HA3 GLY 17 -19.578 -29.101 -27.229 111 H GLY 18 H GLY 18 -20.047 -26.936 -24.874 112 HA2 GLY 18 HA2 GLY 18 -17.527 -25.960 -24.391 113 HA3 GLY 18 HA3 GLY 18 -18.047 -25.253 -25.768 114 H PHE 19 H PHE 19 -17.437 -23.451 -24.034 115 HA PHE 19 HA PHE 19 -19.938 -22.433 -23.209 116 HB2 PHE 19 HB2 PHE 19 -19.439 -22.175 -20.923 117 HB3 PHE 19 HB3 PHE 19 -19.225 -23.750 -21.298 118 HD1 PHE 19 HD1 PHE 19 -16.928 -24.661 -21.529 119 HD2 PHE 19 HD2 PHE 19 -17.646 -20.851 -20.100 120 HE1 PHE 19 HE1 PHE 19 -14.734 -24.605 -20.592 121 HE2 PHE 19 HE2 PHE 19 -15.433 -20.772 -19.200 122 HZ PHE 19 HZ PHE 19 -13.971 -22.645 -19.446 123 H GLN 20 H GLN 20 -19.727 -20.188 -22.180 124 HA GLN 20 HA GLN 20 -17.380 -18.877 -23.200 125 HB2 GLN 20 HB2 GLN 20 -20.041 -18.274 -23.772 126 HB3 GLN 20 HB3 GLN 20 -19.250 -16.963 -23.204 127 HG2 GLN 20 HG2 GLN 20 -17.765 -16.995 -24.927 128 HG3 GLN 20 HG3 GLN 20 -18.212 -18.501 -25.373 129 HE21 GLN 20 HE21 GLN 20 -20.366 -17.379 -27.810 130 HE22 GLN 20 HE22 GLN 20 -19.248 -18.588 -27.271 131 H GLY 21 H GLY 21 -16.518 -17.108 -22.015 132 HA2 GLY 21 HA2 GLY 21 -17.663 -16.704 -19.413 133 HA3 GLY 21 HA3 GLY 21 -16.133 -17.271 -19.488 134 H SER 22 H SER 22 -16.894 -14.871 -18.224 135 HA SER 22 HA SER 22 -15.463 -12.985 -19.864 136 HB2 SER 22 HB2 SER 22 -16.964 -11.228 -19.046 137 HB3 SER 22 HB3 SER 22 -17.766 -12.333 -19.942 138 HG SER 22 HG SER 22 -19.013 -12.510 -18.327 139 H VAL 23 H VAL 23 -14.236 -11.353 -18.729 140 HA VAL 23 HA VAL 23 -13.897 -11.925 -15.954 141 HB VAL 23 HB VAL 23 -11.392 -11.479 -16.435 142 HG11 VAL 23 HG11 VAL 23 -11.028 -13.854 -16.467 143 HG12 VAL 23 HG12 VAL 23 -12.587 -14.091 -16.826 144 HG13 VAL 23 HG13 VAL 23 -12.172 -13.486 -15.385 145 HG21 VAL 23 HG21 VAL 23 -10.702 -12.450 -18.511 146 HG22 VAL 23 HG22 VAL 23 -11.645 -11.166 -18.787 147 HG23 VAL 23 HG23 VAL 23 -12.248 -12.660 -18.934 148 H GLU 24 H GLU 24 -13.983 -10.127 -14.703 149 HA GLU 24 HA GLU 24 -13.479 -7.614 -16.023 150 HB2 GLU 24 HB2 GLU 24 -15.738 -7.881 -15.239 151 HB3 GLU 24 HB3 GLU 24 -15.169 -8.029 -13.715 152 HG2 GLU 24 HG2 GLU 24 -14.483 -5.815 -13.691 153 HG3 GLU 24 HG3 GLU 24 -14.828 -5.646 -15.278 154 H VAL 25 H VAL 25 -12.012 -6.151 -15.198 155 HA VAL 25 HA VAL 25 -10.726 -6.964 -12.756 156 HB VAL 25 HB VAL 25 -9.342 -5.679 -14.965 157 HG11 VAL 25 HG11 VAL 25 -7.330 -6.136 -13.739 158 HG12 VAL 25 HG12 VAL 25 -8.203 -6.771 -12.534 159 HG13 VAL 25 HG13 VAL 25 -8.307 -5.191 -12.862 160 HG21 VAL 25 HG21 VAL 25 -8.290 -7.801 -15.371 161 HG22 VAL 25 HG22 VAL 25 -9.890 -7.937 -15.557 162 HG23 VAL 25 HG23 VAL 25 -9.185 -8.474 -14.205 163 H MET 26 H MET 26 -10.756 -5.462 -11.113 164 HA MET 26 HA MET 26 -11.590 -2.841 -11.890 165 HB2 MET 26 HB2 MET 26 -12.376 -2.550 -9.658 166 HB3 MET 26 HB3 MET 26 -12.958 -3.960 -10.242 167 HG2 MET 26 HG2 MET 26 -11.455 -5.161 -9.062 168 HG3 MET 26 HG3 MET 26 -10.633 -3.815 -8.637 169 HE1 MET 26 HE1 MET 26 -12.762 -2.115 -5.986 170 HE2 MET 26 HE2 MET 26 -12.548 -1.736 -7.543 171 HE3 MET 26 HE3 MET 26 -11.286 -2.194 -6.642 172 H ASN 27 H ASN 27 -10.645 -0.911 -11.163 173 HA ASN 27 HA ASN 27 -7.921 -1.008 -10.541 174 HB2 ASN 27 HB2 ASN 27 -8.911 0.865 -11.663 175 HB3 ASN 27 HB3 ASN 27 -9.726 1.239 -10.298 176 HD21 ASN 27 HD21 ASN 27 -7.176 3.611 -9.900 177 HD22 ASN 27 HD22 ASN 27 -8.774 3.380 -10.525 178 H HIS 28 H HIS 28 -6.963 -1.401 -8.596 179 HA HIS 28 HA HIS 28 -8.584 -0.957 -6.254 180 HB2 HIS 28 HB2 HIS 28 -8.367 -3.329 -6.840 181 HB3 HIS 28 HB3 HIS 28 -6.762 -3.194 -6.569 182 HD1 HIS 28 HD1 HIS 28 -9.994 -2.961 -4.706 183 HD2 HIS 28 HD2 HIS 28 -6.024 -3.631 -3.975 184 HE1 HIS 28 HE1 HIS 28 -9.740 -3.610 -2.321 185 HE2 HIS 28 HE2 HIS 28 -7.344 -4.022 -1.847 186 H GLY 29 H GLY 29 -5.788 -0.293 -7.825 187 HA2 GLY 29 HA2 GLY 29 -4.082 -0.074 -5.588 188 HA3 GLY 29 HA3 GLY 29 -3.751 0.420 -7.110 189 H THR 30 H THR 30 -2.852 1.940 -5.091 190 HA THR 30 HA THR 30 -4.604 4.086 -4.615 191 HB THR 30 HB THR 30 -2.547 5.190 -3.765 192 HG1 THR 30 HG1 THR 30 -0.751 3.639 -3.658 193 HG21 THR 30 HG21 THR 30 -2.237 3.667 -1.930 194 HG22 THR 30 HG22 THR 30 -2.951 2.484 -2.770 195 HG23 THR 30 HG23 THR 30 -3.817 3.751 -2.261 196 H GLU 31 H GLU 31 -2.828 3.037 -7.155 197 HA GLU 31 HA GLU 31 -3.158 5.511 -8.597 198 HB2 GLU 31 HB2 GLU 31 -1.001 4.474 -9.742 199 HB3 GLU 31 HB3 GLU 31 -0.975 5.736 -8.706 200 HG2 GLU 31 HG2 GLU 31 -0.502 4.318 -6.921 201 HG3 GLU 31 HG3 GLU 31 -0.668 3.005 -7.879 202 HA PRO 32 HA PRO 32 -4.944 2.577 -11.322 203 HB2 PRO 32 HB2 PRO 32 -5.198 3.951 -13.591 204 HB3 PRO 32 HB3 PRO 32 -6.160 4.325 -12.325 205 HG2 PRO 32 HG2 PRO 32 -3.752 5.619 -13.135 206 HG3 PRO 32 HG3 PRO 32 -5.160 6.313 -12.685 207 HD2 PRO 32 HD2 PRO 32 -3.172 6.114 -11.011 208 HD3 PRO 32 HD3 PRO 32 -4.717 6.055 -10.484 209 H LEU 33 H LEU 33 -4.492 1.009 -12.852 210 HA LEU 33 HA LEU 33 -1.813 1.233 -13.872 211 HB2 LEU 33 HB2 LEU 33 -2.219 -0.393 -12.004 212 HB3 LEU 33 HB3 LEU 33 -2.897 -1.328 -13.159 213 HG LEU 33 HG LEU 33 -0.749 -2.061 -12.689 214 HD11 LEU 33 HD11 LEU 33 0.193 -2.122 -14.891 215 HD12 LEU 33 HD12 LEU 33 -0.827 -0.956 -15.354 216 HD13 LEU 33 HD13 LEU 33 -1.397 -2.410 -14.937 217 HD21 LEU 33 HD21 LEU 33 1.188 -0.691 -13.151 218 HD22 LEU 33 HD22 LEU 33 0.282 -0.023 -11.989 219 HD23 LEU 33 HD23 LEU 33 0.215 0.553 -13.498 220 H ASN 34 H ASN 34 -2.035 1.701 -15.988 221 HA ASN 34 HA ASN 34 -3.998 0.330 -17.508 222 HB2 ASN 34 HB2 ASN 34 -3.380 2.650 -17.945 223 HB3 ASN 34 HB3 ASN 34 -1.956 2.103 -18.529 224 HD21 ASN 34 HD21 ASN 34 -3.757 2.622 -21.552 225 HD22 ASN 34 HD22 ASN 34 -2.779 3.461 -20.394 226 H GLY 35 H GLY 35 -3.745 -1.573 -18.611 227 HA2 GLY 35 HA2 GLY 35 -2.470 -2.895 -20.025 228 HA3 GLY 35 HA3 GLY 35 -1.094 -2.195 -19.493 229 H TRP 36 H TRP 36 -3.200 -3.197 -17.056 230 HA TRP 36 HA TRP 36 -1.446 -5.082 -16.074 231 HB2 TRP 36 HB2 TRP 36 -3.336 -5.739 -14.620 232 HB3 TRP 36 HB3 TRP 36 -2.886 -4.172 -14.526 233 HD1 TRP 36 HD1 TRP 36 -5.176 -5.383 -17.222 234 HE1 TRP 36 HE1 TRP 36 -7.448 -4.313 -17.090 235 HE3 TRP 36 HE3 TRP 36 -4.508 -3.027 -12.871 236 HZ2 TRP 36 HZ2 TRP 36 -8.697 -2.602 -15.241 237 HZ3 TRP 36 HZ3 TRP 36 -6.289 -1.692 -11.987 238 HH2 TRP 36 HH2 TRP 36 -8.357 -1.475 -13.175 239 H ALA 37 H ALA 37 -2.071 -7.423 -15.536 240 HA ALA 37 HA ALA 37 -3.121 -8.606 -17.929 241 HB1 ALA 37 HB1 ALA 37 -0.694 -8.685 -18.039 242 HB2 ALA 37 HB2 ALA 37 -1.269 -10.193 -17.937 243 HB3 ALA 37 HB3 ALA 37 -0.652 -9.472 -16.628 244 H VAL 38 H VAL 38 -3.946 -10.729 -17.850 245 HA VAL 38 HA VAL 38 -4.486 -11.697 -15.192 246 HB VAL 38 HB VAL 38 -6.291 -11.744 -17.470 247 HG11 VAL 38 HG11 VAL 38 -7.833 -13.022 -16.164 248 HG12 VAL 38 HG12 VAL 38 -6.743 -13.137 -14.976 249 HG13 VAL 38 HG13 VAL 38 -6.472 -13.865 -16.394 250 HG21 VAL 38 HG21 VAL 38 -7.774 -10.515 -16.041 251 HG22 VAL 38 HG22 VAL 38 -6.378 -9.716 -16.207 252 HG23 VAL 38 HG23 VAL 38 -6.674 -10.555 -14.857 253 H GLN 39 H GLN 39 -3.400 -13.620 -14.840 254 HA GLN 39 HA GLN 39 -2.920 -15.248 -17.149 255 HB2 GLN 39 HB2 GLN 39 -1.803 -15.700 -14.531 256 HB3 GLN 39 HB3 GLN 39 -1.314 -16.420 -15.912 257 HG2 GLN 39 HG2 GLN 39 -0.541 -14.270 -16.678 258 HG3 GLN 39 HG3 GLN 39 -0.889 -13.671 -15.200 259 HE21 GLN 39 HE21 GLN 39 2.217 -14.393 -13.915 260 HE22 GLN 39 HE22 GLN 39 0.850 -13.330 -13.963 261 H TRP 40 H TRP 40 -3.621 -17.448 -17.264 262 HA TRP 40 HA TRP 40 -4.943 -18.613 -15.094 263 HB2 TRP 40 HB2 TRP 40 -7.133 -18.773 -16.073 264 HB3 TRP 40 HB3 TRP 40 -6.730 -17.211 -15.814 265 HD1 TRP 40 HD1 TRP 40 -5.838 -15.897 -18.123 266 HE1 TRP 40 HE1 TRP 40 -6.712 -15.965 -20.476 267 HE3 TRP 40 HE3 TRP 40 -8.273 -20.235 -17.760 268 HZ2 TRP 40 HZ2 TRP 40 -8.343 -17.756 -21.907 269 HZ3 TRP 40 HZ3 TRP 40 -9.484 -21.051 -19.659 270 HH2 TRP 40 HH2 TRP 40 -9.543 -19.801 -21.701 271 H GLN 41 H GLN 41 -5.945 -20.792 -15.659 272 HA GLN 41 HA GLN 41 -4.777 -21.883 -18.063 273 HB2 GLN 41 HB2 GLN 41 -3.500 -22.516 -16.070 274 HB3 GLN 41 HB3 GLN 41 -4.812 -23.364 -15.594 275 HG2 GLN 41 HG2 GLN 41 -4.598 -24.748 -17.508 276 HG3 GLN 41 HG3 GLN 41 -3.268 -23.912 -17.954 277 HE21 GLN 41 HE21 GLN 41 -1.028 -25.499 -15.811 278 HE22 GLN 41 HE22 GLN 41 -1.279 -24.157 -16.877 279 HA PRO 42 HA PRO 42 -8.941 -23.325 -18.286 280 HB2 PRO 42 HB2 PRO 42 -8.803 -25.075 -20.289 281 HB3 PRO 42 HB3 PRO 42 -8.770 -23.477 -20.625 282 HG2 PRO 42 HG2 PRO 42 -6.559 -25.259 -20.391 283 HG3 PRO 42 HG3 PRO 42 -6.840 -24.159 -21.565 284 HD2 PRO 42 HD2 PRO 42 -5.208 -23.594 -19.625 285 HD3 PRO 42 HD3 PRO 42 -6.150 -22.421 -20.262 286 H GLY 43 H GLY 43 -10.252 -25.086 -17.654 287 HA2 GLY 43 HA2 GLY 43 -8.899 -26.670 -15.784 288 HA3 GLY 43 HA3 GLY 43 -10.491 -26.751 -16.141 289 H GLY 44 H GLY 44 -9.136 -29.073 -15.548 290 HA2 GLY 44 HA2 GLY 44 -8.136 -30.337 -17.804 291 HA3 GLY 44 HA3 GLY 44 -8.709 -31.095 -16.476 292 H GLY 45 H GLY 45 -9.031 -31.132 -19.621 293 HA2 GLY 45 HA2 GLY 45 -10.719 -32.313 -20.697 294 HA3 GLY 45 HA3 GLY 45 -11.776 -31.957 -19.505 295 H THR 46 H THR 46 -10.540 -29.109 -19.876 296 HA THR 46 HA THR 46 -12.112 -28.419 -22.184 297 HB THR 46 HB THR 46 -12.884 -27.602 -19.850 298 HG1 THR 46 HG1 THR 46 -13.126 -26.361 -22.277 299 HG21 THR 46 HG21 THR 46 -12.197 -25.337 -19.455 300 HG22 THR 46 HG22 THR 46 -11.184 -25.409 -20.713 301 HG23 THR 46 HG23 THR 46 -10.897 -26.297 -19.393 302 H THR 47 H THR 47 -11.390 -26.574 -23.492 303 HA THR 47 HA THR 47 -8.815 -25.550 -22.831 304 HB THR 47 HB THR 47 -8.305 -27.457 -24.262 305 HG1 THR 47 HG1 THR 47 -6.657 -26.452 -24.998 306 HG21 THR 47 HG21 THR 47 -8.842 -27.301 -26.595 307 HG22 THR 47 HG22 THR 47 -9.639 -25.918 -26.337 308 HG23 THR 47 HG23 THR 47 -10.219 -27.308 -25.747 309 H LEU 48 H LEU 48 -8.308 -23.517 -24.019 310 HA LEU 48 HA LEU 48 -10.699 -22.122 -24.468 311 HB2 LEU 48 HB2 LEU 48 -9.401 -20.196 -24.648 312 HB3 LEU 48 HB3 LEU 48 -8.796 -21.094 -23.425 313 HG LEU 48 HG LEU 48 -7.291 -21.835 -25.457 314 HD11 LEU 48 HD11 LEU 48 -6.578 -19.827 -26.547 315 HD12 LEU 48 HD12 LEU 48 -7.714 -18.988 -25.760 316 HD13 LEU 48 HD13 LEU 48 -8.142 -20.095 -26.858 317 HD21 LEU 48 HD21 LEU 48 -5.578 -20.566 -24.357 318 HD22 LEU 48 HD22 LEU 48 -6.488 -21.329 -23.259 319 HD23 LEU 48 HD23 LEU 48 -6.706 -19.750 -23.534 320 H GLY 49 H GLY 49 -11.398 -20.983 -26.365 321 HA2 GLY 49 HA2 GLY 49 -10.358 -22.172 -28.791 322 HA3 GLY 49 HA3 GLY 49 -11.882 -21.609 -28.619 323 H GLY 50 H GLY 50 -11.924 -19.193 -27.819 324 HA2 GLY 50 HA2 GLY 50 -9.852 -17.714 -29.168 325 HA3 GLY 50 HA3 GLY 50 -11.412 -17.397 -29.534 326 H VAL 51 H VAL 51 -9.610 -15.467 -28.547 327 HA VAL 51 HA VAL 51 -11.065 -14.726 -26.169 328 HB VAL 51 HB VAL 51 -8.241 -14.182 -26.483 329 HG11 VAL 51 HG11 VAL 51 -8.345 -13.330 -24.229 330 HG12 VAL 51 HG12 VAL 51 -9.936 -13.614 -24.193 331 HG13 VAL 51 HG13 VAL 51 -9.338 -12.486 -25.185 332 HG21 VAL 51 HG21 VAL 51 -7.853 -15.742 -24.705 333 HG22 VAL 51 HG22 VAL 51 -8.528 -16.491 -25.969 334 HG23 VAL 51 HG23 VAL 51 -9.427 -16.109 -24.680 335 H TRP 52 H TRP 52 -11.638 -12.422 -26.163 336 HA TRP 52 HA TRP 52 -10.727 -11.029 -28.480 337 HB2 TRP 52 HB2 TRP 52 -12.986 -10.149 -28.840 338 HB3 TRP 52 HB3 TRP 52 -12.890 -11.763 -29.074 339 HD1 TRP 52 HD1 TRP 52 -14.290 -9.330 -26.620 340 HE1 TRP 52 HE1 TRP 52 -16.087 -10.350 -25.190 341 HE3 TRP 52 HE3 TRP 52 -13.767 -14.033 -28.207 342 HZ2 TRP 52 HZ2 TRP 52 -17.113 -12.945 -24.893 343 HZ3 TRP 52 HZ3 TRP 52 -15.214 -15.726 -27.318 344 HH2 TRP 52 HH2 TRP 52 -16.886 -15.175 -25.692 345 H ASN 53 H ASN 53 -10.981 -8.692 -28.518 346 HA ASN 53 HA ASN 53 -10.804 -6.731 -27.611 347 HB2 ASN 53 HB2 ASN 53 -12.379 -7.756 -25.393 348 HB3 ASN 53 HB3 ASN 53 -12.097 -6.162 -25.608 349 HD21 ASN 53 HD21 ASN 53 -15.445 -6.701 -26.880 350 HD22 ASN 53 HD22 ASN 53 -14.629 -6.669 -25.353 351 H GLY 54 H GLY 54 -8.702 -8.614 -27.053 352 HA2 GLY 54 HA2 GLY 54 -7.303 -6.991 -25.208 353 HA3 GLY 54 HA3 GLY 54 -7.594 -8.490 -24.629 354 H SER 55 H SER 55 -5.012 -7.601 -24.889 355 HA SER 55 HA SER 55 -3.969 -8.809 -27.256 356 HB2 SER 55 HB2 SER 55 -2.487 -7.585 -25.068 357 HB3 SER 55 HB3 SER 55 -1.857 -7.956 -26.529 358 HG SER 55 HG SER 55 -3.038 -6.400 -27.483 359 H LEU 56 H LEU 56 -2.468 -10.644 -27.225 360 HA LEU 56 HA LEU 56 -2.958 -12.251 -24.902 361 HB2 LEU 56 HB2 LEU 56 -2.826 -13.193 -27.643 362 HB3 LEU 56 HB3 LEU 56 -3.053 -14.184 -26.364 363 HG LEU 56 HG LEU 56 -4.947 -12.182 -27.201 364 HD11 LEU 56 HD11 LEU 56 -6.279 -14.034 -27.974 365 HD12 LEU 56 HD12 LEU 56 -5.097 -15.059 -27.564 366 HD13 LEU 56 HD13 LEU 56 -4.871 -14.003 -28.768 367 HD21 LEU 56 HD21 LEU 56 -6.427 -13.177 -25.618 368 HD22 LEU 56 HD22 LEU 56 -5.110 -12.611 -24.869 369 HD23 LEU 56 HD23 LEU 56 -5.258 -14.195 -25.157 370 H THR 57 H THR 57 -1.414 -13.398 -23.920 371 HA THR 57 HA THR 57 1.122 -13.671 -25.207 372 HB THR 57 HB THR 57 2.145 -13.052 -22.936 373 HG1 THR 57 HG1 THR 57 -0.414 -12.076 -22.767 374 HG21 THR 57 HG21 THR 57 2.297 -10.748 -23.596 375 HG22 THR 57 HG22 THR 57 1.055 -10.941 -24.614 376 HG23 THR 57 HG23 THR 57 2.467 -11.670 -24.913 377 H SER 58 H SER 58 2.540 -15.329 -24.060 378 HA SER 58 HA SER 58 0.872 -17.254 -22.715 379 HB2 SER 58 HB2 SER 58 3.471 -17.701 -23.953 380 HB3 SER 58 HB3 SER 58 2.544 -18.887 -23.320 381 HG SER 58 HG SER 58 2.525 -18.133 -25.716 382 H GLY 59 H GLY 59 1.537 -18.281 -20.736 383 HA2 GLY 59 HA2 GLY 59 3.423 -16.702 -19.243 384 HA3 GLY 59 HA3 GLY 59 2.353 -17.761 -18.610 385 H SER 60 H SER 60 5.127 -17.685 -17.947 386 HA SER 60 HA SER 60 6.518 -19.518 -19.477 387 HB2 SER 60 HB2 SER 60 7.102 -18.762 -16.708 388 HB3 SER 60 HB3 SER 60 8.207 -19.362 -17.751 389 HG SER 60 HG SER 60 7.841 -17.504 -19.044 390 H ASP 61 H ASP 61 4.290 -19.929 -17.000 391 HA ASP 61 HA ASP 61 5.188 -22.539 -16.322 392 HB2 ASP 61 HB2 ASP 61 4.273 -20.819 -14.719 393 HB3 ASP 61 HB3 ASP 61 2.807 -21.324 -15.232 394 H GLY 62 H GLY 62 4.015 -21.903 -18.967 395 HA2 GLY 62 HA2 GLY 62 2.772 -23.160 -20.393 396 HA3 GLY 62 HA3 GLY 62 2.400 -24.197 -19.188 397 H THR 63 H THR 63 1.710 -21.092 -18.322 398 HA THR 63 HA THR 63 -1.079 -21.566 -18.581 399 HB THR 63 HB THR 63 -1.229 -19.424 -17.259 400 HG1 THR 63 HG1 THR 63 1.519 -19.717 -17.185 401 HG21 THR 63 HG21 THR 63 -0.438 -20.405 -15.222 402 HG22 THR 63 HG22 THR 63 0.407 -21.502 -16.057 403 HG23 THR 63 HG23 THR 63 -1.209 -21.543 -16.073 404 H VAL 64 H VAL 64 -2.519 -19.579 -19.220 405 HA VAL 64 HA VAL 64 -1.259 -18.257 -21.450 406 HB VAL 64 HB VAL 64 -3.511 -18.021 -22.398 407 HG11 VAL 64 HG11 VAL 64 -3.557 -20.268 -23.259 408 HG12 VAL 64 HG12 VAL 64 -2.541 -20.739 -22.093 409 HG13 VAL 64 HG13 VAL 64 -2.036 -19.719 -23.241 410 HG21 VAL 64 HG21 VAL 64 -5.224 -19.457 -21.558 411 HG22 VAL 64 HG22 VAL 64 -4.784 -18.395 -20.421 412 HG23 VAL 64 HG23 VAL 64 -4.253 -19.920 -20.351 413 H THR 65 H THR 65 -1.791 -15.999 -21.830 414 HA THR 65 HA THR 65 -2.740 -14.727 -19.454 415 HB THR 65 HB THR 65 -0.277 -13.924 -20.809 416 HG1 THR 65 HG1 THR 65 -0.029 -14.612 -18.250 417 HG21 THR 65 HG21 THR 65 0.026 -12.348 -19.026 418 HG22 THR 65 HG22 THR 65 -1.377 -12.802 -18.364 419 HG23 THR 65 HG23 THR 65 -1.367 -12.018 -19.778 420 H VAL 66 H VAL 66 -4.211 -13.128 -19.768 421 HA VAL 66 HA VAL 66 -4.296 -11.953 -22.408 422 HB VAL 66 HB VAL 66 -6.483 -11.951 -20.503 423 HG11 VAL 66 HG11 VAL 66 -7.838 -11.285 -22.362 424 HG12 VAL 66 HG12 VAL 66 -6.535 -11.277 -23.318 425 HG13 VAL 66 HG13 VAL 66 -6.664 -10.201 -22.118 426 HG21 VAL 66 HG21 VAL 66 -7.472 -13.715 -21.786 427 HG22 VAL 66 HG22 VAL 66 -6.060 -14.205 -21.167 428 HG23 VAL 66 HG23 VAL 66 -6.156 -13.778 -22.724 429 H ARG 67 H ARG 67 -3.986 -9.691 -22.596 430 HA ARG 67 HA ARG 67 -3.978 -8.183 -20.174 431 HB2 ARG 67 HB2 ARG 67 -1.745 -7.389 -20.470 432 HB3 ARG 67 HB3 ARG 67 -1.727 -9.017 -20.347 433 HG2 ARG 67 HG2 ARG 67 -1.452 -9.213 -22.668 434 HG3 ARG 67 HG3 ARG 67 -1.545 -7.591 -22.833 435 HD2 ARG 67 HD2 ARG 67 0.556 -8.951 -21.391 436 HD3 ARG 67 HD3 ARG 67 0.734 -8.302 -22.878 437 HE ARG 67 HE ARG 67 -0.157 -6.279 -21.277 438 HH11 ARG 67 HH11 ARG 67 1.198 -4.796 -20.300 439 HH12 ARG 67 HH12 ARG 67 2.890 -5.127 -20.142 440 HH21 ARG 67 HH21 ARG 67 2.724 -8.274 -21.615 441 HH22 ARG 67 HH22 ARG 67 3.751 -7.087 -20.883 442 H ASN 68 H ASN 68 -3.645 -5.791 -20.529 443 HA ASN 68 HA ASN 68 -4.165 -3.970 -21.647 444 HB2 ASN 68 HB2 ASN 68 -2.785 -5.388 -23.763 445 HB3 ASN 68 HB3 ASN 68 -3.256 -3.841 -23.993 446 HD21 ASN 68 HD21 ASN 68 -0.383 -2.508 -22.691 447 HD22 ASN 68 HD22 ASN 68 -1.695 -2.381 -23.814 448 H VAL 69 H VAL 69 -6.487 -4.389 -21.393 449 HA VAL 69 HA VAL 69 -8.026 -5.486 -23.277 450 HB VAL 69 HB VAL 69 -8.963 -3.009 -22.119 451 HG11 VAL 69 HG11 VAL 69 -11.060 -4.189 -21.991 452 HG12 VAL 69 HG12 VAL 69 -10.348 -5.516 -22.579 453 HG13 VAL 69 HG13 VAL 69 -10.507 -4.204 -23.510 454 HG21 VAL 69 HG21 VAL 69 -9.491 -4.077 -20.057 455 HG22 VAL 69 HG22 VAL 69 -7.892 -4.074 -20.293 456 HG23 VAL 69 HG23 VAL 69 -8.745 -5.423 -20.555 457 H ASP 70 H ASP 70 -8.828 -4.878 -25.372 458 HA ASP 70 HA ASP 70 -7.345 -2.995 -26.700 459 HB2 ASP 70 HB2 ASP 70 -8.498 -3.620 -28.577 460 HB3 ASP 70 HB3 ASP 70 -8.794 -4.900 -27.606 461 H HIS 71 H HIS 71 -10.292 -2.682 -25.009 462 HA HIS 71 HA HIS 71 -10.916 -0.214 -26.221 463 HB2 HIS 71 HB2 HIS 71 -12.907 -0.231 -24.953 464 HB3 HIS 71 HB3 HIS 71 -12.675 -1.732 -25.552 465 HD1 HIS 71 HD1 HIS 71 -13.881 -3.152 -23.848 466 HD2 HIS 71 HD2 HIS 71 -11.149 -0.563 -22.237 467 HE1 HIS 71 HE1 HIS 71 -13.694 -3.624 -21.414 468 HE2 HIS 71 HE2 HIS 71 -12.072 -2.048 -20.411 469 H ASN 72 H ASN 72 -8.608 -0.810 -24.210 470 HA ASN 72 HA ASN 72 -9.009 1.141 -22.273 471 HB2 ASN 72 HB2 ASN 72 -6.826 0.780 -21.594 472 HB3 ASN 72 HB3 ASN 72 -7.346 -0.669 -22.138 473 HD21 ASN 72 HD21 ASN 72 -3.928 0.247 -23.442 474 HD22 ASN 72 HD22 ASN 72 -4.624 0.325 -21.858 475 H ARG 73 H ARG 73 -8.374 1.346 -25.499 476 HA ARG 73 HA ARG 73 -7.065 3.849 -25.443 477 HB2 ARG 73 HB2 ARG 73 -7.089 3.708 -27.804 478 HB3 ARG 73 HB3 ARG 73 -6.721 2.222 -27.235 479 HG2 ARG 73 HG2 ARG 73 -9.036 1.610 -27.523 480 HG3 ARG 73 HG3 ARG 73 -9.280 3.053 -28.249 481 HD2 ARG 73 HD2 ARG 73 -7.832 2.458 -29.999 482 HD3 ARG 73 HD3 ARG 73 -7.462 1.055 -29.250 483 HE ARG 73 HE ARG 73 -9.407 0.096 -29.942 484 HH11 ARG 73 HH11 ARG 73 -9.405 3.547 -30.655 485 HH12 ARG 73 HH12 ARG 73 -10.837 3.443 -31.625 486 HH21 ARG 73 HH21 ARG 73 -11.268 0.024 -31.179 487 HH22 ARG 73 HH22 ARG 73 -11.883 1.465 -31.918 488 H VAL 74 H VAL 74 -10.132 2.903 -24.962 489 HA VAL 74 HA VAL 74 -11.252 5.290 -26.087 490 HB VAL 74 HB VAL 74 -12.739 2.909 -25.315 491 HG11 VAL 74 HG11 VAL 74 -14.595 3.881 -26.494 492 HG12 VAL 74 HG12 VAL 74 -13.709 5.195 -26.812 493 HG13 VAL 74 HG13 VAL 74 -14.134 4.857 -25.289 494 HG21 VAL 74 HG21 VAL 74 -12.928 2.410 -27.655 495 HG22 VAL 74 HG22 VAL 74 -11.372 2.420 -27.215 496 HG23 VAL 74 HG23 VAL 74 -11.996 3.685 -28.005 497 H VAL 75 H VAL 75 -11.251 3.245 -23.281 498 HA VAL 75 HA VAL 75 -11.938 5.503 -21.640 499 HB VAL 75 HB VAL 75 -13.960 4.288 -21.808 500 HG11 VAL 75 HG11 VAL 75 -14.145 2.003 -21.114 501 HG12 VAL 75 HG12 VAL 75 -12.548 1.947 -20.866 502 HG13 VAL 75 HG13 VAL 75 -13.128 2.131 -22.365 503 HG21 VAL 75 HG21 VAL 75 -14.419 3.875 -19.484 504 HG22 VAL 75 HG22 VAL 75 -13.592 5.254 -19.654 505 HG23 VAL 75 HG23 VAL 75 -12.834 3.912 -19.164 506 HA PRO 76 HA PRO 76 -8.404 3.907 -19.650 507 HB2 PRO 76 HB2 PRO 76 -8.130 5.613 -17.620 508 HB3 PRO 76 HB3 PRO 76 -7.815 6.140 -19.134 509 HG2 PRO 76 HG2 PRO 76 -10.223 6.453 -17.640 510 HG3 PRO 76 HG3 PRO 76 -9.417 7.591 -18.490 511 HD2 PRO 76 HD2 PRO 76 -11.488 6.400 -19.519 512 HD3 PRO 76 HD3 PRO 76 -10.245 6.863 -20.472 513 HA PRO 77 HA PRO 77 -9.887 1.472 -16.429 514 HB2 PRO 77 HB2 PRO 77 -7.698 0.307 -15.519 515 HB3 PRO 77 HB3 PRO 77 -8.100 0.032 -17.078 516 HG2 PRO 77 HG2 PRO 77 -6.206 1.888 -16.056 517 HG3 PRO 77 HG3 PRO 77 -6.041 0.882 -17.331 518 HD2 PRO 77 HD2 PRO 77 -6.684 3.437 -17.613 519 HD3 PRO 77 HD3 PRO 77 -7.074 2.310 -18.729 520 H ASP 78 H ASP 78 -10.098 3.987 -15.663 521 HA ASP 78 HA ASP 78 -8.913 4.290 -13.127 522 HB2 ASP 78 HB2 ASP 78 -10.259 6.222 -12.898 523 HB3 ASP 78 HB3 ASP 78 -9.583 6.209 -14.384 524 H GLY 79 H GLY 79 -11.729 2.943 -14.450 525 HA2 GLY 79 HA2 GLY 79 -12.661 2.121 -11.831 526 HA3 GLY 79 HA3 GLY 79 -13.654 2.351 -13.106 527 H SER 80 H SER 80 -14.520 0.210 -12.989 528 HA SER 80 HA SER 80 -12.647 -1.894 -13.403 529 HB2 SER 80 HB2 SER 80 -15.231 -2.871 -13.504 530 HB3 SER 80 HB3 SER 80 -14.202 -3.034 -12.246 531 HG SER 80 HG SER 80 -15.584 -0.699 -12.577 532 H VAL 81 H VAL 81 -12.461 -3.248 -15.191 533 HA VAL 81 HA VAL 81 -14.053 -2.526 -17.452 534 HB VAL 81 HB VAL 81 -12.000 -2.733 -18.864 535 HG11 VAL 81 HG11 VAL 81 -11.359 -0.440 -18.522 536 HG12 VAL 81 HG12 VAL 81 -12.155 -0.427 -17.114 537 HG13 VAL 81 HG13 VAL 81 -12.970 -0.578 -18.502 538 HG21 VAL 81 HG21 VAL 81 -9.898 -2.332 -17.777 539 HG22 VAL 81 HG22 VAL 81 -10.545 -3.717 -17.250 540 HG23 VAL 81 HG23 VAL 81 -10.630 -2.385 -16.336 541 H THR 82 H THR 82 -14.432 -4.214 -19.019 542 HA THR 82 HA THR 82 -13.575 -6.765 -18.055 543 HB THR 82 HB THR 82 -15.916 -6.408 -17.388 544 HG1 THR 82 HG1 THR 82 -16.757 -8.345 -18.439 545 HG21 THR 82 HG21 THR 82 -17.614 -6.333 -19.075 546 HG22 THR 82 HG22 THR 82 -16.490 -6.389 -20.235 547 HG23 THR 82 HG23 THR 82 -16.614 -5.082 -19.292 548 H PHE 83 H PHE 83 -13.661 -8.598 -19.512 549 HA PHE 83 HA PHE 83 -14.017 -8.117 -22.289 550 HB2 PHE 83 HB2 PHE 83 -11.791 -8.940 -22.858 551 HB3 PHE 83 HB3 PHE 83 -11.859 -7.399 -22.323 552 HD1 PHE 83 HD1 PHE 83 -10.532 -10.590 -21.706 553 HD2 PHE 83 HD2 PHE 83 -11.066 -6.845 -20.040 554 HE1 PHE 83 HE1 PHE 83 -8.885 -11.088 -20.050 555 HE2 PHE 83 HE2 PHE 83 -9.442 -7.349 -18.364 556 HZ PHE 83 HZ PHE 83 -8.336 -9.469 -18.376 557 H GLY 84 H GLY 84 -13.471 -10.412 -23.472 558 HA2 GLY 84 HA2 GLY 84 -14.183 -12.479 -21.617 559 HA3 GLY 84 HA3 GLY 84 -15.247 -12.136 -22.808 560 H PHE 85 H PHE 85 -14.645 -14.644 -22.673 561 HA PHE 85 HA PHE 85 -13.148 -15.113 -25.023 562 HB2 PHE 85 HB2 PHE 85 -11.664 -16.726 -23.978 563 HB3 PHE 85 HB3 PHE 85 -11.393 -15.210 -23.434 564 HD1 PHE 85 HD1 PHE 85 -11.819 -14.611 -21.138 565 HD2 PHE 85 HD2 PHE 85 -12.694 -18.408 -22.525 566 HE1 PHE 85 HE1 PHE 85 -12.063 -15.375 -18.891 567 HE2 PHE 85 HE2 PHE 85 -12.969 -19.168 -20.278 568 HZ PHE 85 HZ PHE 85 -12.630 -17.655 -18.457 569 H THR 86 H THR 86 -13.146 -17.513 -25.649 570 HA THR 86 HA THR 86 -15.433 -18.820 -24.512 571 HB THR 86 HB THR 86 -16.141 -17.995 -26.665 572 HG1 THR 86 HG1 THR 86 -17.319 -19.657 -26.775 573 HG21 THR 86 HG21 THR 86 -15.108 -18.797 -28.669 574 HG22 THR 86 HG22 THR 86 -14.031 -19.633 -27.800 575 HG23 THR 86 HG23 THR 86 -13.999 -18.016 -27.790 576 H ALA 87 H ALA 87 -15.460 -21.182 -24.635 577 HA ALA 87 HA ALA 87 -12.917 -22.360 -25.208 578 HB1 ALA 87 HB1 ALA 87 -12.773 -21.775 -22.869 579 HB2 ALA 87 HB2 ALA 87 -12.805 -23.386 -23.004 580 HB3 ALA 87 HB3 ALA 87 -14.141 -22.585 -22.572 581 H THR 88 H THR 88 -12.924 -24.707 -25.353 582 HA THR 88 HA THR 88 -15.581 -25.744 -25.743 583 HB THR 88 HB THR 88 -14.433 -27.385 -27.295 584 HG1 THR 88 HG1 THR 88 -12.361 -26.378 -26.386 585 HG21 THR 88 HG21 THR 88 -14.524 -25.855 -29.129 586 HG22 THR 88 HG22 THR 88 -14.510 -24.601 -28.108 587 HG23 THR 88 HG23 THR 88 -15.795 -25.581 -28.167 588 H SER 89 H SER 89 -15.908 -28.079 -25.206 589 HA SER 89 HA SER 89 -13.948 -29.072 -23.407 590 HB2 SER 89 HB2 SER 89 -15.476 -27.801 -21.985 591 HB3 SER 89 HB3 SER 89 -16.716 -28.722 -22.516 592 HG SER 89 HG SER 89 -15.503 -29.203 -20.449 593 H THR 90 H THR 90 -14.022 -31.308 -22.881 594 HA THR 90 HA THR 90 -15.578 -32.794 -24.718 595 HB THR 90 HB THR 90 -14.239 -34.739 -23.922 596 HG1 THR 90 HG1 THR 90 -14.016 -33.772 -21.812 597 HG21 THR 90 HG21 THR 90 -12.143 -33.992 -24.822 598 HG22 THR 90 HG22 THR 90 -12.606 -32.450 -24.672 599 HG23 THR 90 HG23 THR 90 -13.333 -33.412 -25.750 600 H GLY 91 H GLY 91 -16.070 -31.599 -21.765 601 HA2 GLY 91 HA2 GLY 91 -18.374 -32.840 -21.191 602 HA3 GLY 91 HA3 GLY 91 -17.259 -33.803 -20.486 603 H ASN 92 H ASN 92 -15.413 -31.996 -19.558 604 HA ASN 92 HA ASN 92 -16.888 -30.856 -17.416 605 HB2 ASN 92 HB2 ASN 92 -14.048 -31.232 -17.798 606 HB3 ASN 92 HB3 ASN 92 -14.599 -30.357 -16.534 607 HD21 ASN 92 HD21 ASN 92 -14.867 -33.095 -14.479 608 HD22 ASN 92 HD22 ASN 92 -14.473 -31.418 -14.662 609 H ASP 93 H ASP 93 -17.942 -29.073 -18.393 610 HA ASP 93 HA ASP 93 -16.269 -27.063 -19.535 611 HB2 ASP 93 HB2 ASP 93 -18.257 -26.030 -20.280 612 HB3 ASP 93 HB3 ASP 93 -18.400 -27.628 -20.583 613 H PHE 94 H PHE 94 -17.192 -27.924 -16.585 614 HA PHE 94 HA PHE 94 -18.136 -25.581 -15.492 615 HB2 PHE 94 HB2 PHE 94 -16.743 -27.429 -13.794 616 HB3 PHE 94 HB3 PHE 94 -18.190 -26.724 -13.518 617 HD1 PHE 94 HD1 PHE 94 -20.115 -27.532 -15.145 618 HD2 PHE 94 HD2 PHE 94 -16.705 -29.693 -14.260 619 HE1 PHE 94 HE1 PHE 94 -21.202 -29.536 -15.861 620 HE2 PHE 94 HE2 PHE 94 -17.797 -31.703 -14.946 621 HZ PHE 94 HZ PHE 94 -20.044 -31.623 -15.765 622 HA PRO 95 HA PRO 95 -14.347 -23.461 -14.790 623 HB2 PRO 95 HB2 PRO 95 -15.106 -21.598 -13.047 624 HB3 PRO 95 HB3 PRO 95 -15.543 -21.442 -14.613 625 HG2 PRO 95 HG2 PRO 95 -17.093 -22.483 -12.461 626 HG3 PRO 95 HG3 PRO 95 -17.558 -21.420 -13.610 627 HD2 PRO 95 HD2 PRO 95 -18.166 -23.941 -13.816 628 HD3 PRO 95 HD3 PRO 95 -17.874 -23.048 -15.151 629 H VAL 96 H VAL 96 -12.622 -23.436 -13.360 630 HA VAL 96 HA VAL 96 -13.115 -25.304 -11.261 631 HB VAL 96 HB VAL 96 -10.538 -24.587 -12.435 632 HG11 VAL 96 HG11 VAL 96 -9.622 -26.492 -11.298 633 HG12 VAL 96 HG12 VAL 96 -11.056 -26.774 -10.606 634 HG13 VAL 96 HG13 VAL 96 -10.222 -25.443 -10.224 635 HG21 VAL 96 HG21 VAL 96 -10.635 -26.687 -13.596 636 HG22 VAL 96 HG22 VAL 96 -11.890 -25.761 -14.024 637 HG23 VAL 96 HG23 VAL 96 -12.099 -26.970 -12.971 638 H ASP 97 H ASP 97 -11.690 -22.205 -11.818 639 HA ASP 97 HA ASP 97 -11.815 -21.633 -9.045 640 HB2 ASP 97 HB2 ASP 97 -9.570 -22.597 -9.478 641 HB3 ASP 97 HB3 ASP 97 -9.254 -21.254 -10.352 642 H SER 98 H SER 98 -11.374 -19.356 -8.478 643 HA SER 98 HA SER 98 -12.417 -17.592 -10.357 644 HB2 SER 98 HB2 SER 98 -11.039 -16.327 -8.240 645 HB3 SER 98 HB3 SER 98 -12.645 -16.286 -8.534 646 HG SER 98 HG SER 98 -12.197 -17.241 -6.565 647 H ILE 99 H ILE 99 -11.376 -15.560 -11.139 648 HA ILE 99 HA ILE 99 -8.689 -16.170 -11.940 649 HB ILE 99 HB ILE 99 -10.822 -15.068 -13.309 650 HG12 ILE 99 HG12 ILE 99 -9.288 -15.330 -15.221 651 HG13 ILE 99 HG13 ILE 99 -8.184 -15.860 -14.141 652 HG21 ILE 99 HG21 ILE 99 -9.831 -13.175 -14.371 653 HG22 ILE 99 HG22 ILE 99 -8.547 -13.293 -13.395 654 HG23 ILE 99 HG23 ILE 99 -9.994 -12.908 -12.785 655 HD11 ILE 99 HD11 ILE 99 -9.269 -17.715 -15.176 656 HD12 ILE 99 HD12 ILE 99 -10.706 -17.175 -14.665 657 HD13 ILE 99 HD13 ILE 99 -9.612 -17.700 -13.595 658 H GLY 100 H GLY 100 -6.910 -14.902 -11.575 659 HA2 GLY 100 HA2 GLY 100 -7.384 -12.578 -9.909 660 HA3 GLY 100 HA3 GLY 100 -6.049 -13.513 -9.801 661 H CYS 101 H CYS 101 -5.330 -11.015 -10.053 662 HA CYS 101 HA CYS 101 -4.556 -10.802 -12.798 663 HB2 CYS 101 HB2 CYS 101 -5.086 -8.508 -12.872 664 HB3 CYS 101 HB3 CYS 101 -6.406 -9.457 -12.717 665 H VAL 102 H VAL 102 -2.730 -9.437 -13.249 666 HA VAL 102 HA VAL 102 -1.213 -8.755 -10.937 667 HB VAL 102 HB VAL 102 0.822 -9.715 -11.923 668 HG11 VAL 102 HG11 VAL 102 0.344 -11.997 -11.350 669 HG12 VAL 102 HG12 VAL 102 -1.241 -11.675 -11.378 670 HG13 VAL 102 HG13 VAL 102 -0.299 -11.002 -10.249 671 HG21 VAL 102 HG21 VAL 102 0.605 -11.276 -13.736 672 HG22 VAL 102 HG22 VAL 102 0.129 -9.805 -14.211 673 HG23 VAL 102 HG23 VAL 102 -0.971 -10.934 -13.847 674 H ALA 103 H ALA 103 0.711 -7.306 -11.461 675 HA ALA 103 HA ALA 103 0.302 -5.860 -13.942 676 HB1 ALA 103 HB1 ALA 103 -0.270 -4.455 -12.107 677 HB2 ALA 103 HB2 ALA 103 1.072 -3.883 -12.805 678 HB3 ALA 103 HB3 ALA 103 1.172 -4.722 -11.426 679 HA PRO 104 HA PRO 104 4.459 -6.951 -14.657 680 HB2 PRO 104 HB2 PRO 104 5.268 -5.172 -16.464 681 HB3 PRO 104 HB3 PRO 104 4.139 -6.267 -16.903 682 HG2 PRO 104 HG2 PRO 104 3.721 -3.575 -16.048 683 HG3 PRO 104 HG3 PRO 104 3.059 -4.329 -17.337 684 HD2 PRO 104 HD2 PRO 104 1.731 -4.106 -15.105 685 HD3 PRO 104 HD3 PRO 104 1.527 -5.412 -16.064 Start of MODEL 9 1 H1 HIS 1 H1 HIS 1 -4.974 -12.669 1.980 2 H2 HIS 1 H2 HIS 1 -5.364 -12.142 0.502 3 H3 HIS 1 H3 HIS 1 -4.974 -11.084 1.661 4 HA HIS 1 HA HIS 1 -2.786 -11.888 1.697 5 HB2 HIS 1 HB2 HIS 1 -2.059 -13.463 -0.013 6 HB3 HIS 1 HB3 HIS 1 -3.101 -14.132 1.052 7 HD1 HIS 1 HD1 HIS 1 -3.023 -12.808 -2.444 8 HD2 HIS 1 HD2 HIS 1 -5.339 -15.224 -0.081 9 HE1 HIS 1 HE1 HIS 1 -4.750 -13.878 -3.875 10 HE2 HIS 1 HE2 HIS 1 -6.177 -15.329 -2.469 11 H THR 2 H THR 2 -1.125 -10.898 0.491 12 HA THR 2 HA THR 2 -0.389 -9.334 -0.839 13 HB THR 2 HB THR 2 -0.835 -9.684 -3.308 14 HG1 THR 2 HG1 THR 2 -2.963 -10.367 -3.058 15 HG21 THR 2 HG21 THR 2 0.195 -11.859 -3.355 16 HG22 THR 2 HG22 THR 2 -0.185 -12.090 -1.800 17 HG23 THR 2 HG23 THR 2 0.916 -10.978 -2.207 18 H GLY 3 H GLY 3 -1.264 -7.966 -3.145 19 HA2 GLY 3 HA2 GLY 3 -3.695 -6.658 -2.310 20 HA3 GLY 3 HA3 GLY 3 -2.376 -5.741 -2.607 21 H SER 4 H SER 4 -1.588 -5.425 -4.698 22 HA SER 4 HA SER 4 -1.740 -5.318 -6.895 23 HB2 SER 4 HB2 SER 4 -1.412 -7.802 -6.603 24 HB3 SER 4 HB3 SER 4 -2.969 -7.935 -7.077 25 HG SER 4 HG SER 4 -0.783 -7.301 -8.523 26 H CYS 5 H CYS 5 -3.498 -6.262 -8.864 27 HA CYS 5 HA CYS 5 -5.929 -4.868 -8.243 28 HB2 CYS 5 HB2 CYS 5 -6.456 -5.123 -10.491 29 HB3 CYS 5 HB3 CYS 5 -5.048 -4.331 -10.250 30 H MET 6 H MET 6 -8.008 -6.031 -9.164 31 HA MET 6 HA MET 6 -7.899 -8.800 -8.394 32 HB2 MET 6 HB2 MET 6 -9.818 -6.889 -7.360 33 HB3 MET 6 HB3 MET 6 -9.901 -8.493 -7.065 34 HG2 MET 6 HG2 MET 6 -7.889 -8.397 -5.916 35 HG3 MET 6 HG3 MET 6 -7.777 -6.798 -6.231 36 HE1 MET 6 HE1 MET 6 -8.455 -6.945 -2.377 37 HE2 MET 6 HE2 MET 6 -7.407 -6.431 -3.495 38 HE3 MET 6 HE3 MET 6 -7.600 -8.015 -3.237 39 H ALA 7 H ALA 7 -9.663 -10.164 -9.130 40 HA ALA 7 HA ALA 7 -11.225 -9.013 -11.232 41 HB1 ALA 7 HB1 ALA 7 -9.244 -9.790 -12.360 42 HB2 ALA 7 HB2 ALA 7 -10.508 -10.681 -12.833 43 HB3 ALA 7 HB3 ALA 7 -9.464 -11.270 -11.748 44 H VAL 8 H VAL 8 -12.994 -10.382 -12.020 45 HA VAL 8 HA VAL 8 -13.670 -12.467 -10.156 46 HB VAL 8 HB VAL 8 -15.580 -10.474 -11.087 47 HG11 VAL 8 HG11 VAL 8 -17.192 -11.526 -9.658 48 HG12 VAL 8 HG12 VAL 8 -16.111 -12.663 -9.267 49 HG13 VAL 8 HG13 VAL 8 -16.677 -12.572 -10.779 50 HG21 VAL 8 HG21 VAL 8 -15.681 -9.716 -8.807 51 HG22 VAL 8 HG22 VAL 8 -14.175 -9.561 -9.374 52 HG23 VAL 8 HG23 VAL 8 -14.547 -10.793 -8.395 53 H TYR 9 H TYR 9 -14.574 -14.345 -11.113 54 HA TYR 9 HA TYR 9 -14.949 -14.133 -13.959 55 HB2 TYR 9 HB2 TYR 9 -13.125 -15.549 -13.624 56 HB3 TYR 9 HB3 TYR 9 -13.884 -16.339 -12.413 57 HD1 TYR 9 HD1 TYR 9 -14.965 -18.388 -12.859 58 HD2 TYR 9 HD2 TYR 9 -14.132 -15.838 -16.005 59 HE1 TYR 9 HE1 TYR 9 -15.763 -20.029 -14.399 60 HE2 TYR 9 HE2 TYR 9 -14.947 -17.471 -17.542 61 HH TYR 9 HH TYR 9 -15.965 -20.665 -16.539 62 H SER 10 H SER 10 -16.777 -14.853 -14.967 63 HA SER 10 HA SER 10 -18.532 -16.535 -13.434 64 HB2 SER 10 HB2 SER 10 -20.436 -15.220 -14.363 65 HB3 SER 10 HB3 SER 10 -19.571 -14.448 -13.212 66 HG SER 10 HG SER 10 -19.212 -14.131 -15.929 67 H VAL 11 H VAL 11 -19.745 -18.099 -14.612 68 HA VAL 11 HA VAL 11 -18.878 -18.566 -17.257 69 HB VAL 11 HB VAL 11 -21.016 -19.910 -15.848 70 HG11 VAL 11 HG11 VAL 11 -20.833 -21.628 -17.517 71 HG12 VAL 11 HG12 VAL 11 -19.721 -20.752 -18.300 72 HG13 VAL 11 HG13 VAL 11 -21.248 -20.225 -18.208 73 HG21 VAL 11 HG21 VAL 11 -19.422 -21.671 -15.452 74 HG22 VAL 11 HG22 VAL 11 -18.904 -20.296 -14.777 75 HG23 VAL 11 HG23 VAL 11 -18.272 -20.796 -16.179 76 H GLU 12 H GLU 12 -19.857 -17.832 -19.154 77 HA GLU 12 HA GLU 12 -21.928 -15.935 -18.765 78 HB2 GLU 12 HB2 GLU 12 -20.041 -15.487 -20.218 79 HB3 GLU 12 HB3 GLU 12 -20.571 -16.659 -21.224 80 HG2 GLU 12 HG2 GLU 12 -21.250 -14.742 -22.212 81 HG3 GLU 12 HG3 GLU 12 -22.599 -15.305 -21.482 82 H ASN 13 H ASN 13 -21.487 -18.660 -20.920 83 HA ASN 13 HA ASN 13 -24.231 -19.320 -20.795 84 HB2 ASN 13 HB2 ASN 13 -24.138 -17.536 -22.479 85 HB3 ASN 13 HB3 ASN 13 -23.191 -18.512 -23.383 86 HD21 ASN 13 HD21 ASN 13 -27.069 -19.609 -22.909 87 HD22 ASN 13 HD22 ASN 13 -26.180 -18.898 -21.604 88 H SER 14 H SER 14 -24.766 -21.381 -21.893 89 HA SER 14 HA SER 14 -22.431 -22.821 -22.753 90 HB2 SER 14 HB2 SER 14 -23.241 -24.794 -21.520 91 HB3 SER 14 HB3 SER 14 -22.821 -23.576 -20.518 92 HG SER 14 HG SER 14 -25.405 -23.830 -21.385 93 H TRP 15 H TRP 15 -22.739 -24.486 -24.294 94 HA TRP 15 HA TRP 15 -25.327 -24.993 -25.292 95 HB2 TRP 15 HB2 TRP 15 -24.981 -24.108 -27.482 96 HB3 TRP 15 HB3 TRP 15 -24.961 -22.915 -26.367 97 HD1 TRP 15 HD1 TRP 15 -21.719 -24.242 -26.070 98 HE1 TRP 15 HE1 TRP 15 -19.936 -23.068 -27.389 99 HE3 TRP 15 HE3 TRP 15 -24.753 -21.669 -29.082 100 HZ2 TRP 15 HZ2 TRP 15 -19.955 -21.230 -29.512 101 HZ3 TRP 15 HZ3 TRP 15 -23.791 -20.234 -30.744 102 HH2 TRP 15 HH2 TRP 15 -21.417 -20.011 -30.948 103 H SER 16 H SER 16 -25.051 -26.321 -27.520 104 HA SER 16 HA SER 16 -23.461 -28.476 -26.877 105 HB2 SER 16 HB2 SER 16 -23.926 -29.097 -29.299 106 HB3 SER 16 HB3 SER 16 -25.231 -28.934 -28.330 107 HG SER 16 HG SER 16 -25.068 -27.804 -30.472 108 H GLY 17 H GLY 17 -21.325 -28.869 -27.025 109 HA2 GLY 17 HA2 GLY 17 -19.448 -28.978 -28.400 110 HA3 GLY 17 HA3 GLY 17 -19.939 -27.655 -29.223 111 H GLY 18 H GLY 18 -20.378 -26.610 -26.240 112 HA2 GLY 18 HA2 GLY 18 -17.985 -26.321 -25.055 113 HA3 GLY 18 HA3 GLY 18 -17.955 -25.177 -26.221 114 H PHE 19 H PHE 19 -17.704 -23.591 -24.499 115 HA PHE 19 HA PHE 19 -20.223 -22.613 -23.712 116 HB2 PHE 19 HB2 PHE 19 -19.871 -22.625 -21.369 117 HB3 PHE 19 HB3 PHE 19 -19.807 -24.159 -21.926 118 HD1 PHE 19 HD1 PHE 19 -17.686 -25.379 -21.980 119 HD2 PHE 19 HD2 PHE 19 -17.949 -21.567 -20.401 120 HE1 PHE 19 HE1 PHE 19 -15.554 -25.663 -20.947 121 HE2 PHE 19 HE2 PHE 19 -15.819 -21.845 -19.366 122 HZ PHE 19 HZ PHE 19 -14.613 -23.892 -19.640 123 H GLN 20 H GLN 20 -19.979 -20.497 -22.432 124 HA GLN 20 HA GLN 20 -17.558 -19.169 -23.271 125 HB2 GLN 20 HB2 GLN 20 -20.246 -18.418 -23.723 126 HB3 GLN 20 HB3 GLN 20 -19.288 -17.188 -23.236 127 HG2 GLN 20 HG2 GLN 20 -18.043 -17.256 -25.095 128 HG3 GLN 20 HG3 GLN 20 -18.428 -18.812 -25.406 129 HE21 GLN 20 HE21 GLN 20 -21.329 -18.170 -27.260 130 HE22 GLN 20 HE22 GLN 20 -20.507 -19.366 -26.314 131 H GLY 21 H GLY 21 -16.789 -17.387 -21.976 132 HA2 GLY 21 HA2 GLY 21 -17.948 -17.247 -19.346 133 HA3 GLY 21 HA3 GLY 21 -16.377 -17.676 -19.464 134 H SER 22 H SER 22 -17.307 -15.405 -18.062 135 HA SER 22 HA SER 22 -16.089 -13.321 -19.627 136 HB2 SER 22 HB2 SER 22 -17.794 -11.775 -18.603 137 HB3 SER 22 HB3 SER 22 -18.352 -12.752 -19.786 138 HG SER 22 HG SER 22 -19.740 -13.370 -18.420 139 H VAL 23 H VAL 23 -14.998 -11.646 -18.473 140 HA VAL 23 HA VAL 23 -14.579 -12.271 -15.727 141 HB VAL 23 HB VAL 23 -12.255 -11.366 -17.176 142 HG11 VAL 23 HG11 VAL 23 -11.059 -12.675 -15.554 143 HG12 VAL 23 HG12 VAL 23 -12.460 -13.198 -14.939 144 HG13 VAL 23 HG13 VAL 23 -12.051 -11.639 -14.808 145 HG21 VAL 23 HG21 VAL 23 -11.621 -13.583 -17.825 146 HG22 VAL 23 HG22 VAL 23 -12.994 -13.156 -18.566 147 HG23 VAL 23 HG23 VAL 23 -13.038 -14.150 -17.291 148 H GLU 24 H GLU 24 -14.807 -10.514 -14.389 149 HA GLU 24 HA GLU 24 -14.569 -7.898 -15.559 150 HB2 GLU 24 HB2 GLU 24 -16.485 -8.423 -14.142 151 HB3 GLU 24 HB3 GLU 24 -15.454 -8.483 -12.876 152 HG2 GLU 24 HG2 GLU 24 -14.874 -6.154 -13.469 153 HG3 GLU 24 HG3 GLU 24 -16.230 -6.174 -14.379 154 H VAL 25 H VAL 25 -12.916 -6.441 -14.964 155 HA VAL 25 HA VAL 25 -11.065 -7.402 -12.977 156 HB VAL 25 HB VAL 25 -10.219 -6.052 -15.417 157 HG11 VAL 25 HG11 VAL 25 -7.986 -6.526 -14.708 158 HG12 VAL 25 HG12 VAL 25 -8.550 -7.193 -13.347 159 HG13 VAL 25 HG13 VAL 25 -8.728 -5.607 -13.604 160 HG21 VAL 25 HG21 VAL 25 -9.314 -8.153 -16.108 161 HG22 VAL 25 HG22 VAL 25 -10.914 -8.281 -15.915 162 HG23 VAL 25 HG23 VAL 25 -9.914 -8.857 -14.782 163 H MET 26 H MET 26 -10.687 -5.933 -11.322 164 HA MET 26 HA MET 26 -11.493 -3.241 -11.908 165 HB2 MET 26 HB2 MET 26 -12.093 -2.966 -9.637 166 HB3 MET 26 HB3 MET 26 -12.817 -4.316 -10.201 167 HG2 MET 26 HG2 MET 26 -11.217 -5.622 -9.193 168 HG3 MET 26 HG3 MET 26 -10.437 -4.287 -8.668 169 HE1 MET 26 HE1 MET 26 -12.788 -2.797 -5.995 170 HE2 MET 26 HE2 MET 26 -12.618 -2.362 -7.543 171 HE3 MET 26 HE3 MET 26 -11.312 -2.693 -6.648 172 H ASN 27 H ASN 27 -10.283 -1.433 -11.294 173 HA ASN 27 HA ASN 27 -7.529 -1.993 -10.832 174 HB2 ASN 27 HB2 ASN 27 -8.306 -0.221 -12.339 175 HB3 ASN 27 HB3 ASN 27 -8.729 0.629 -11.009 176 HD21 ASN 27 HD21 ASN 27 -5.536 1.748 -10.199 177 HD22 ASN 27 HD22 ASN 27 -7.174 1.590 -9.658 178 H HIS 28 H HIS 28 -7.449 -2.884 -8.742 179 HA HIS 28 HA HIS 28 -8.791 -1.613 -6.656 180 HB2 HIS 28 HB2 HIS 28 -8.267 -4.028 -6.764 181 HB3 HIS 28 HB3 HIS 28 -6.732 -3.643 -6.359 182 HD1 HIS 28 HD1 HIS 28 -10.168 -3.696 -4.932 183 HD2 HIS 28 HD2 HIS 28 -6.297 -3.318 -3.659 184 HE1 HIS 28 HE1 HIS 28 -10.158 -3.736 -2.448 185 HE2 HIS 28 HE2 HIS 28 -7.827 -3.510 -1.642 186 H GLY 29 H GLY 29 -5.863 -1.014 -8.056 187 HA2 GLY 29 HA2 GLY 29 -4.605 0.162 -5.807 188 HA3 GLY 29 HA3 GLY 29 -4.128 0.304 -7.363 189 H THR 30 H THR 30 -4.125 2.518 -5.586 190 HA THR 30 HA THR 30 -6.524 3.904 -6.069 191 HB THR 30 HB THR 30 -5.470 4.308 -3.970 192 HG1 THR 30 HG1 THR 30 -5.037 6.767 -4.738 193 HG21 THR 30 HG21 THR 30 -3.366 5.444 -3.826 194 HG22 THR 30 HG22 THR 30 -3.258 5.480 -5.439 195 HG23 THR 30 HG23 THR 30 -3.163 4.070 -4.654 196 H GLU 31 H GLU 31 -3.668 3.555 -7.703 197 HA GLU 31 HA GLU 31 -4.263 5.830 -9.364 198 HB2 GLU 31 HB2 GLU 31 -1.711 4.475 -9.156 199 HB3 GLU 31 HB3 GLU 31 -1.980 5.791 -10.085 200 HG2 GLU 31 HG2 GLU 31 -2.484 6.980 -8.027 201 HG3 GLU 31 HG3 GLU 31 -1.870 5.690 -7.235 202 HA PRO 32 HA PRO 32 -5.096 2.842 -12.463 203 HB2 PRO 32 HB2 PRO 32 -5.126 4.294 -14.687 204 HB3 PRO 32 HB3 PRO 32 -6.326 4.515 -13.602 205 HG2 PRO 32 HG2 PRO 32 -3.947 6.070 -13.916 206 HG3 PRO 32 HG3 PRO 32 -5.478 6.613 -13.746 207 HD2 PRO 32 HD2 PRO 32 -3.856 6.537 -11.701 208 HD3 PRO 32 HD3 PRO 32 -5.460 6.305 -11.499 209 H LEU 33 H LEU 33 -4.111 1.402 -13.825 210 HA LEU 33 HA LEU 33 -1.406 2.132 -14.501 211 HB2 LEU 33 HB2 LEU 33 -2.319 -0.453 -13.595 212 HB3 LEU 33 HB3 LEU 33 -0.828 -0.230 -14.225 213 HG LEU 33 HG LEU 33 -1.710 1.048 -11.803 214 HD11 LEU 33 HD11 LEU 33 -0.384 -0.586 -10.634 215 HD12 LEU 33 HD12 LEU 33 -0.062 -1.330 -12.033 216 HD13 LEU 33 HD13 LEU 33 -1.570 -1.323 -11.450 217 HD21 LEU 33 HD21 LEU 33 0.608 1.570 -11.497 218 HD22 LEU 33 HD22 LEU 33 0.074 2.216 -12.880 219 HD23 LEU 33 HD23 LEU 33 0.959 0.863 -12.908 220 H ASN 34 H ASN 34 -0.639 1.724 -16.574 221 HA ASN 34 HA ASN 34 -2.609 0.723 -18.380 222 HB2 ASN 34 HB2 ASN 34 -1.420 2.744 -18.976 223 HB3 ASN 34 HB3 ASN 34 -0.031 1.888 -19.034 224 HD21 ASN 34 HD21 ASN 34 -0.501 1.746 -22.481 225 HD22 ASN 34 HD22 ASN 34 0.414 2.463 -21.198 226 H GLY 35 H GLY 35 -2.545 -1.256 -19.442 227 HA2 GLY 35 HA2 GLY 35 -1.420 -2.959 -20.448 228 HA3 GLY 35 HA3 GLY 35 0.001 -2.414 -19.856 229 H TRP 36 H TRP 36 -2.381 -2.909 -17.507 230 HA TRP 36 HA TRP 36 -0.862 -4.801 -16.214 231 HB2 TRP 36 HB2 TRP 36 -2.597 -5.016 -14.656 232 HB3 TRP 36 HB3 TRP 36 -2.486 -3.443 -15.081 233 HD1 TRP 36 HD1 TRP 36 -4.586 -6.285 -16.409 234 HE1 TRP 36 HE1 TRP 36 -6.997 -5.633 -16.660 235 HE3 TRP 36 HE3 TRP 36 -4.126 -1.597 -14.776 236 HZ2 TRP 36 HZ2 TRP 36 -8.436 -3.269 -16.184 237 HZ3 TRP 36 HZ3 TRP 36 -6.080 -0.200 -14.696 238 HH2 TRP 36 HH2 TRP 36 -8.212 -1.041 -15.396 239 H ALA 37 H ALA 37 -1.436 -7.060 -15.590 240 HA ALA 37 HA ALA 37 -2.383 -8.346 -17.979 241 HB1 ALA 37 HB1 ALA 37 0.012 -8.628 -17.693 242 HB2 ALA 37 HB2 ALA 37 -0.708 -10.072 -17.592 243 HB3 ALA 37 HB3 ALA 37 -0.237 -9.308 -16.248 244 H VAL 38 H VAL 38 -3.970 -9.810 -17.913 245 HA VAL 38 HA VAL 38 -4.690 -10.873 -15.336 246 HB VAL 38 HB VAL 38 -6.301 -10.982 -17.755 247 HG11 VAL 38 HG11 VAL 38 -8.106 -11.594 -16.313 248 HG12 VAL 38 HG12 VAL 38 -7.110 -11.561 -15.040 249 HG13 VAL 38 HG13 VAL 38 -6.912 -12.677 -16.193 250 HG21 VAL 38 HG21 VAL 38 -7.597 -9.190 -16.838 251 HG22 VAL 38 HG22 VAL 38 -6.071 -8.705 -17.067 252 HG23 VAL 38 HG23 VAL 38 -6.583 -9.091 -15.582 253 H GLN 39 H GLN 39 -4.075 -12.998 -14.908 254 HA GLN 39 HA GLN 39 -3.497 -14.634 -17.198 255 HB2 GLN 39 HB2 GLN 39 -1.612 -15.386 -15.463 256 HB3 GLN 39 HB3 GLN 39 -1.341 -14.450 -16.773 257 HG2 GLN 39 HG2 GLN 39 -1.544 -12.513 -15.466 258 HG3 GLN 39 HG3 GLN 39 -1.908 -13.414 -14.153 259 HE21 GLN 39 HE21 GLN 39 1.928 -13.471 -15.497 260 HE22 GLN 39 HE22 GLN 39 0.606 -13.317 -16.606 261 H TRP 40 H TRP 40 -3.965 -16.844 -17.051 262 HA TRP 40 HA TRP 40 -4.556 -17.861 -14.493 263 HB2 TRP 40 HB2 TRP 40 -6.812 -18.505 -14.972 264 HB3 TRP 40 HB3 TRP 40 -6.669 -16.888 -15.153 265 HD1 TRP 40 HD1 TRP 40 -7.340 -19.929 -17.149 266 HE1 TRP 40 HE1 TRP 40 -8.268 -19.396 -19.418 267 HE3 TRP 40 HE3 TRP 40 -6.627 -14.988 -16.980 268 HZ2 TRP 40 HZ2 TRP 40 -8.683 -17.022 -20.860 269 HZ3 TRP 40 HZ3 TRP 40 -7.332 -13.649 -18.846 270 HH2 TRP 40 HH2 TRP 40 -8.380 -14.663 -20.744 271 H GLN 41 H GLN 41 -5.130 -20.177 -14.425 272 HA GLN 41 HA GLN 41 -3.763 -21.618 -16.524 273 HB2 GLN 41 HB2 GLN 41 -2.961 -22.003 -14.313 274 HB3 GLN 41 HB3 GLN 41 -4.460 -22.443 -13.837 275 HG2 GLN 41 HG2 GLN 41 -3.129 -24.352 -14.095 276 HG3 GLN 41 HG3 GLN 41 -4.321 -24.370 -15.211 277 HE21 GLN 41 HE21 GLN 41 -2.003 -25.148 -17.648 278 HE22 GLN 41 HE22 GLN 41 -3.449 -25.610 -16.814 279 HA PRO 42 HA PRO 42 -7.837 -22.926 -17.601 280 HB2 PRO 42 HB2 PRO 42 -7.241 -24.712 -19.501 281 HB3 PRO 42 HB3 PRO 42 -7.247 -23.118 -19.856 282 HG2 PRO 42 HG2 PRO 42 -5.011 -24.760 -19.214 283 HG3 PRO 42 HG3 PRO 42 -5.140 -23.663 -20.418 284 HD2 PRO 42 HD2 PRO 42 -3.919 -23.030 -18.222 285 HD3 PRO 42 HD3 PRO 42 -4.805 -21.907 -19.008 286 H GLY 43 H GLY 43 -9.219 -24.597 -17.068 287 HA2 GLY 43 HA2 GLY 43 -8.166 -26.216 -15.043 288 HA3 GLY 43 HA3 GLY 43 -9.700 -26.250 -15.602 289 H GLY 44 H GLY 44 -8.459 -28.618 -14.848 290 HA2 GLY 44 HA2 GLY 44 -7.366 -29.896 -17.083 291 HA3 GLY 44 HA3 GLY 44 -7.936 -30.637 -15.744 292 H GLY 45 H GLY 45 -8.261 -30.917 -18.815 293 HA2 GLY 45 HA2 GLY 45 -9.965 -31.927 -19.953 294 HA3 GLY 45 HA3 GLY 45 -10.984 -31.704 -18.697 295 H THR 46 H THR 46 -9.719 -28.796 -19.092 296 HA THR 46 HA THR 46 -11.682 -28.033 -21.042 297 HB THR 46 HB THR 46 -11.042 -25.833 -19.432 298 HG1 THR 46 HG1 THR 46 -11.394 -26.496 -17.452 299 HG21 THR 46 HG21 THR 46 -13.397 -25.798 -19.014 300 HG22 THR 46 HG22 THR 46 -13.541 -27.296 -19.607 301 HG23 THR 46 HG23 THR 46 -13.155 -26.071 -20.590 302 H THR 47 H THR 47 -11.148 -26.327 -22.584 303 HA THR 47 HA THR 47 -8.590 -25.187 -22.295 304 HB THR 47 HB THR 47 -8.115 -27.194 -23.647 305 HG1 THR 47 HG1 THR 47 -6.603 -26.209 -24.687 306 HG21 THR 47 HG21 THR 47 -8.850 -27.241 -25.917 307 HG22 THR 47 HG22 THR 47 -9.676 -25.868 -25.698 308 HG23 THR 47 HG23 THR 47 -10.148 -27.222 -24.952 309 H LEU 48 H LEU 48 -8.141 -23.328 -23.716 310 HA LEU 48 HA LEU 48 -10.519 -21.886 -24.059 311 HB2 LEU 48 HB2 LEU 48 -7.754 -21.224 -24.415 312 HB3 LEU 48 HB3 LEU 48 -8.883 -20.181 -24.967 313 HG LEU 48 HG LEU 48 -8.064 -19.401 -22.950 314 HD11 LEU 48 HD11 LEU 48 -10.100 -19.168 -21.705 315 HD12 LEU 48 HD12 LEU 48 -10.766 -20.359 -22.573 316 HD13 LEU 48 HD13 LEU 48 -10.376 -18.961 -23.285 317 HD21 LEU 48 HD21 LEU 48 -8.242 -20.641 -20.910 318 HD22 LEU 48 HD22 LEU 48 -7.292 -21.417 -21.964 319 HD23 LEU 48 HD23 LEU 48 -8.814 -21.911 -21.731 320 H GLY 49 H GLY 49 -11.375 -20.919 -25.997 321 HA2 GLY 49 HA2 GLY 49 -10.424 -22.192 -28.418 322 HA3 GLY 49 HA3 GLY 49 -11.948 -21.647 -28.203 323 H GLY 50 H GLY 50 -11.962 -19.189 -27.468 324 HA2 GLY 50 HA2 GLY 50 -9.919 -17.718 -28.841 325 HA3 GLY 50 HA3 GLY 50 -11.453 -17.488 -29.353 326 H VAL 51 H VAL 51 -9.777 -15.448 -28.277 327 HA VAL 51 HA VAL 51 -11.379 -14.725 -26.001 328 HB VAL 51 HB VAL 51 -8.529 -14.177 -26.089 329 HG11 VAL 51 HG11 VAL 51 -8.791 -13.459 -23.806 330 HG12 VAL 51 HG12 VAL 51 -10.378 -13.756 -23.890 331 HG13 VAL 51 HG13 VAL 51 -9.731 -12.567 -24.774 332 HG21 VAL 51 HG21 VAL 51 -8.238 -15.833 -24.400 333 HG22 VAL 51 HG22 VAL 51 -8.820 -16.505 -25.750 334 HG23 VAL 51 HG23 VAL 51 -9.805 -16.218 -24.500 335 H TRP 52 H TRP 52 -12.025 -12.498 -25.958 336 HA TRP 52 HA TRP 52 -11.006 -10.978 -28.165 337 HB2 TRP 52 HB2 TRP 52 -13.235 -9.902 -28.285 338 HB3 TRP 52 HB3 TRP 52 -13.200 -11.462 -28.767 339 HD1 TRP 52 HD1 TRP 52 -14.532 -9.364 -26.016 340 HE1 TRP 52 HE1 TRP 52 -16.291 -10.551 -24.664 341 HE3 TRP 52 HE3 TRP 52 -14.008 -13.866 -28.112 342 HZ2 TRP 52 HZ2 TRP 52 -17.307 -13.169 -24.649 343 HZ3 TRP 52 HZ3 TRP 52 -15.420 -15.660 -27.377 344 HH2 TRP 52 HH2 TRP 52 -17.061 -15.299 -25.671 345 H ASN 53 H ASN 53 -11.145 -8.610 -28.028 346 HA ASN 53 HA ASN 53 -10.533 -6.792 -26.959 347 HB2 ASN 53 HB2 ASN 53 -12.248 -7.714 -24.814 348 HB3 ASN 53 HB3 ASN 53 -11.687 -6.183 -24.907 349 HD21 ASN 53 HD21 ASN 53 -15.168 -6.467 -26.244 350 HD22 ASN 53 HD22 ASN 53 -14.424 -7.031 -24.785 351 H GLY 54 H GLY 54 -8.382 -7.928 -26.980 352 HA2 GLY 54 HA2 GLY 54 -6.930 -7.079 -24.880 353 HA3 GLY 54 HA3 GLY 54 -7.307 -8.617 -24.478 354 H SER 55 H SER 55 -4.661 -7.516 -24.990 355 HA SER 55 HA SER 55 -3.927 -8.778 -27.442 356 HB2 SER 55 HB2 SER 55 -2.887 -6.649 -26.566 357 HB3 SER 55 HB3 SER 55 -1.959 -7.647 -25.668 358 HG SER 55 HG SER 55 -0.740 -7.821 -27.296 359 H LEU 56 H LEU 56 -3.299 -10.893 -27.594 360 HA LEU 56 HA LEU 56 -3.346 -12.267 -25.099 361 HB2 LEU 56 HB2 LEU 56 -3.417 -13.450 -27.737 362 HB3 LEU 56 HB3 LEU 56 -3.850 -14.201 -26.353 363 HG LEU 56 HG LEU 56 -5.335 -12.060 -27.588 364 HD11 LEU 56 HD11 LEU 56 -6.962 -13.785 -28.052 365 HD12 LEU 56 HD12 LEU 56 -5.984 -14.887 -27.385 366 HD13 LEU 56 HD13 LEU 56 -5.557 -14.155 -28.762 367 HD21 LEU 56 HD21 LEU 56 -7.005 -12.428 -25.944 368 HD22 LEU 56 HD22 LEU 56 -5.623 -11.965 -25.242 369 HD23 LEU 56 HD23 LEU 56 -6.062 -13.522 -25.217 370 H THR 57 H THR 57 -1.734 -13.412 -24.167 371 HA THR 57 HA THR 57 0.565 -14.026 -25.773 372 HB THR 57 HB THR 57 2.009 -13.473 -23.813 373 HG1 THR 57 HG1 THR 57 -0.383 -12.474 -22.966 374 HG21 THR 57 HG21 THR 57 2.118 -11.142 -24.380 375 HG22 THR 57 HG22 THR 57 0.673 -11.233 -25.099 376 HG23 THR 57 HG23 THR 57 1.946 -11.996 -25.742 377 H SER 58 H SER 58 1.909 -15.827 -24.779 378 HA SER 58 HA SER 58 0.253 -17.469 -23.094 379 HB2 SER 58 HB2 SER 58 0.084 -18.265 -25.391 380 HB3 SER 58 HB3 SER 58 1.701 -18.496 -25.409 381 HG SER 58 HG SER 58 0.666 -19.733 -23.346 382 H GLY 59 H GLY 59 1.307 -18.980 -21.690 383 HA2 GLY 59 HA2 GLY 59 4.133 -18.419 -21.399 384 HA3 GLY 59 HA3 GLY 59 3.145 -18.791 -20.152 385 H SER 60 H SER 60 5.630 -20.074 -20.922 386 HA SER 60 HA SER 60 5.027 -22.457 -22.199 387 HB2 SER 60 HB2 SER 60 7.339 -21.953 -20.486 388 HB3 SER 60 HB3 SER 60 7.280 -23.093 -21.654 389 HG SER 60 HG SER 60 7.555 -21.677 -23.169 390 H ASP 61 H ASP 61 4.415 -21.446 -19.119 391 HA ASP 61 HA ASP 61 4.591 -23.923 -17.815 392 HB2 ASP 61 HB2 ASP 61 4.589 -21.519 -16.878 393 HB3 ASP 61 HB3 ASP 61 2.991 -21.813 -16.715 394 H GLY 62 H GLY 62 2.480 -22.785 -20.010 395 HA2 GLY 62 HA2 GLY 62 0.613 -24.003 -20.702 396 HA3 GLY 62 HA3 GLY 62 0.448 -24.660 -19.216 397 H THR 63 H THR 63 1.055 -21.560 -18.672 398 HA THR 63 HA THR 63 -1.645 -20.959 -18.168 399 HB THR 63 HB THR 63 -0.636 -18.786 -17.308 400 HG1 THR 63 HG1 THR 63 1.744 -19.339 -16.968 401 HG21 THR 63 HG21 THR 63 0.277 -19.811 -15.344 402 HG22 THR 63 HG22 THR 63 0.376 -21.232 -16.110 403 HG23 THR 63 HG23 THR 63 -1.071 -20.602 -15.758 404 H VAL 64 H VAL 64 -2.773 -18.986 -18.924 405 HA VAL 64 HA VAL 64 -1.618 -17.931 -21.339 406 HB VAL 64 HB VAL 64 -3.905 -17.472 -22.122 407 HG11 VAL 64 HG11 VAL 64 -4.334 -19.733 -22.805 408 HG12 VAL 64 HG12 VAL 64 -3.294 -20.274 -21.692 409 HG13 VAL 64 HG13 VAL 64 -2.756 -19.412 -22.949 410 HG21 VAL 64 HG21 VAL 64 -5.709 -18.587 -21.050 411 HG22 VAL 64 HG22 VAL 64 -5.026 -17.533 -20.031 412 HG23 VAL 64 HG23 VAL 64 -4.709 -19.113 -19.893 413 H THR 65 H THR 65 -1.905 -15.634 -21.757 414 HA THR 65 HA THR 65 -2.656 -14.179 -19.423 415 HB THR 65 HB THR 65 -0.077 -13.757 -20.752 416 HG1 THR 65 HG1 THR 65 0.039 -14.351 -18.167 417 HG21 THR 65 HG21 THR 65 0.390 -12.154 -19.042 418 HG22 THR 65 HG22 THR 65 -1.072 -12.391 -18.394 419 HG23 THR 65 HG23 THR 65 -0.934 -11.684 -19.842 420 H VAL 66 H VAL 66 -3.911 -12.454 -19.780 421 HA VAL 66 HA VAL 66 -3.900 -11.372 -22.444 422 HB VAL 66 HB VAL 66 -6.029 -11.120 -20.475 423 HG11 VAL 66 HG11 VAL 66 -7.372 -10.251 -22.248 424 HG12 VAL 66 HG12 VAL 66 -6.111 -10.342 -23.256 425 HG13 VAL 66 HG13 VAL 66 -6.080 -9.306 -22.015 426 HG21 VAL 66 HG21 VAL 66 -7.249 -12.720 -21.796 427 HG22 VAL 66 HG22 VAL 66 -5.881 -13.387 -21.251 428 HG23 VAL 66 HG23 VAL 66 -5.978 -12.879 -22.783 429 H ARG 67 H ARG 67 -2.963 -9.360 -22.714 430 HA ARG 67 HA ARG 67 -2.943 -7.611 -20.453 431 HB2 ARG 67 HB2 ARG 67 -0.618 -7.256 -20.504 432 HB3 ARG 67 HB3 ARG 67 -0.892 -8.856 -20.323 433 HG2 ARG 67 HG2 ARG 67 -0.394 -9.207 -22.606 434 HG3 ARG 67 HG3 ARG 67 -0.138 -7.606 -22.801 435 HD2 ARG 67 HD2 ARG 67 1.650 -7.775 -21.157 436 HD3 ARG 67 HD3 ARG 67 1.462 -9.397 -21.202 437 HE ARG 67 HE ARG 67 1.883 -8.616 -23.782 438 HH11 ARG 67 HH11 ARG 67 3.664 -8.692 -20.751 439 HH12 ARG 67 HH12 ARG 67 5.202 -8.786 -21.541 440 HH21 ARG 67 HH21 ARG 67 3.900 -8.721 -24.757 441 HH22 ARG 67 HH22 ARG 67 5.335 -8.802 -23.789 442 H ASN 68 H ASN 68 -1.880 -5.411 -21.033 443 HA ASN 68 HA ASN 68 -2.088 -3.604 -22.294 444 HB2 ASN 68 HB2 ASN 68 -1.378 -5.364 -24.483 445 HB3 ASN 68 HB3 ASN 68 -1.292 -3.736 -24.580 446 HD21 ASN 68 HD21 ASN 68 2.057 -5.189 -23.870 447 HD22 ASN 68 HD22 ASN 68 0.846 -5.535 -25.058 448 H VAL 69 H VAL 69 -4.531 -4.467 -21.698 449 HA VAL 69 HA VAL 69 -6.031 -4.695 -24.060 450 HB VAL 69 HB VAL 69 -7.241 -4.316 -21.447 451 HG11 VAL 69 HG11 VAL 69 -9.059 -5.531 -22.409 452 HG12 VAL 69 HG12 VAL 69 -8.239 -5.676 -23.795 453 HG13 VAL 69 HG13 VAL 69 -8.744 -4.221 -23.303 454 HG21 VAL 69 HG21 VAL 69 -7.196 -6.671 -21.128 455 HG22 VAL 69 HG22 VAL 69 -5.685 -6.104 -21.230 456 HG23 VAL 69 HG23 VAL 69 -6.354 -6.853 -22.497 457 H ASP 70 H ASP 70 -7.258 -3.106 -25.100 458 HA ASP 70 HA ASP 70 -6.639 -0.473 -24.428 459 HB2 ASP 70 HB2 ASP 70 -7.897 0.071 -26.414 460 HB3 ASP 70 HB3 ASP 70 -6.964 -1.234 -26.722 461 H HIS 71 H HIS 71 -9.184 -2.475 -23.521 462 HA HIS 71 HA HIS 71 -11.122 -0.508 -23.398 463 HB2 HIS 71 HB2 HIS 71 -12.526 -2.132 -22.362 464 HB3 HIS 71 HB3 HIS 71 -11.665 -2.877 -23.534 465 HD1 HIS 71 HD1 HIS 71 -12.652 -4.914 -21.822 466 HD2 HIS 71 HD2 HIS 71 -9.331 -2.760 -20.768 467 HE1 HIS 71 HE1 HIS 71 -11.384 -6.210 -20.120 468 HE2 HIS 71 HE2 HIS 71 -9.374 -4.929 -19.456 469 H ASN 72 H ASN 72 -8.546 -0.790 -21.458 470 HA ASN 72 HA ASN 72 -9.845 0.206 -19.142 471 HB2 ASN 72 HB2 ASN 72 -7.808 0.037 -18.046 472 HB3 ASN 72 HB3 ASN 72 -7.851 -1.251 -19.049 473 HD21 ASN 72 HD21 ASN 72 -4.588 0.621 -19.168 474 HD22 ASN 72 HD22 ASN 72 -5.591 0.165 -17.831 475 H ARG 73 H ARG 73 -8.824 1.463 -21.956 476 HA ARG 73 HA ARG 73 -8.035 4.017 -20.974 477 HB2 ARG 73 HB2 ARG 73 -7.017 2.987 -22.946 478 HB3 ARG 73 HB3 ARG 73 -8.431 3.215 -23.731 479 HG2 ARG 73 HG2 ARG 73 -8.130 5.584 -23.489 480 HG3 ARG 73 HG3 ARG 73 -6.664 5.298 -22.829 481 HD2 ARG 73 HD2 ARG 73 -5.913 4.316 -24.819 482 HD3 ARG 73 HD3 ARG 73 -7.401 4.448 -25.480 483 HE ARG 73 HE ARG 73 -6.508 6.979 -24.765 484 HH11 ARG 73 HH11 ARG 73 -5.803 8.413 -26.331 485 HH12 ARG 73 HH12 ARG 73 -5.324 7.842 -27.894 486 HH21 ARG 73 HH21 ARG 73 -5.981 4.494 -27.197 487 HH22 ARG 73 HH22 ARG 73 -5.424 5.626 -28.384 488 H VAL 74 H VAL 74 -10.791 2.442 -22.132 489 HA VAL 74 HA VAL 74 -12.116 4.747 -22.993 490 HB VAL 74 HB VAL 74 -13.237 2.086 -22.543 491 HG11 VAL 74 HG11 VAL 74 -15.051 2.717 -23.977 492 HG12 VAL 74 HG12 VAL 74 -14.440 4.208 -24.104 493 HG13 VAL 74 HG13 VAL 74 -15.007 3.685 -22.683 494 HG21 VAL 74 HG21 VAL 74 -12.945 1.725 -24.900 495 HG22 VAL 74 HG22 VAL 74 -11.516 2.021 -24.204 496 HG23 VAL 74 HG23 VAL 74 -12.263 3.185 -25.042 497 H VAL 75 H VAL 75 -12.244 2.720 -20.207 498 HA VAL 75 HA VAL 75 -14.389 4.051 -18.999 499 HB VAL 75 HB VAL 75 -13.815 2.705 -17.032 500 HG11 VAL 75 HG11 VAL 75 -14.244 0.571 -18.038 501 HG12 VAL 75 HG12 VAL 75 -13.888 1.180 -19.493 502 HG13 VAL 75 HG13 VAL 75 -15.200 1.694 -18.701 503 HG21 VAL 75 HG21 VAL 75 -11.973 1.188 -17.148 504 HG22 VAL 75 HG22 VAL 75 -11.440 2.711 -17.250 505 HG23 VAL 75 HG23 VAL 75 -11.548 1.801 -18.582 506 HA PRO 76 HA PRO 76 -12.130 7.188 -16.887 507 HB2 PRO 76 HB2 PRO 76 -13.224 7.322 -14.462 508 HB3 PRO 76 HB3 PRO 76 -14.044 7.915 -15.743 509 HG2 PRO 76 HG2 PRO 76 -14.337 5.367 -14.510 510 HG3 PRO 76 HG3 PRO 76 -15.514 6.414 -14.942 511 HD2 PRO 76 HD2 PRO 76 -14.952 4.415 -16.483 512 HD3 PRO 76 HD3 PRO 76 -15.364 5.851 -17.144 513 HA PRO 77 HA PRO 77 -8.971 5.156 -14.912 514 HB2 PRO 77 HB2 PRO 77 -7.880 6.982 -13.267 515 HB3 PRO 77 HB3 PRO 77 -7.646 7.094 -14.880 516 HG2 PRO 77 HG2 PRO 77 -9.590 8.469 -13.299 517 HG3 PRO 77 HG3 PRO 77 -8.611 9.095 -14.447 518 HD2 PRO 77 HD2 PRO 77 -11.053 8.530 -15.046 519 HD3 PRO 77 HD3 PRO 77 -9.879 8.253 -16.147 520 H ASP 78 H ASP 78 -8.288 3.985 -13.146 521 HA ASP 78 HA ASP 78 -8.614 2.929 -11.251 522 HB2 ASP 78 HB2 ASP 78 -8.407 4.369 -9.612 523 HB3 ASP 78 HB3 ASP 78 -9.098 5.533 -10.526 524 H GLY 79 H GLY 79 -11.093 3.497 -13.178 525 HA2 GLY 79 HA2 GLY 79 -13.132 2.251 -11.706 526 HA3 GLY 79 HA3 GLY 79 -13.152 2.580 -13.306 527 H SER 80 H SER 80 -14.331 0.585 -13.532 528 HA SER 80 HA SER 80 -12.606 -1.713 -13.406 529 HB2 SER 80 HB2 SER 80 -14.427 -1.871 -11.789 530 HB3 SER 80 HB3 SER 80 -15.504 -1.748 -13.010 531 HG SER 80 HG SER 80 -14.536 -3.889 -12.071 532 H VAL 81 H VAL 81 -12.871 -3.426 -14.984 533 HA VAL 81 HA VAL 81 -14.235 -2.575 -17.352 534 HB VAL 81 HB VAL 81 -12.347 -3.370 -18.714 535 HG11 VAL 81 HG11 VAL 81 -10.963 -1.441 -18.380 536 HG12 VAL 81 HG12 VAL 81 -11.682 -1.168 -16.957 537 HG13 VAL 81 HG13 VAL 81 -12.523 -1.019 -18.330 538 HG21 VAL 81 HG21 VAL 81 -10.226 -3.706 -17.635 539 HG22 VAL 81 HG22 VAL 81 -11.300 -4.784 -17.087 540 HG23 VAL 81 HG23 VAL 81 -10.922 -3.492 -16.191 541 H THR 82 H THR 82 -14.531 -4.455 -18.995 542 HA THR 82 HA THR 82 -14.222 -6.993 -17.732 543 HB THR 82 HB THR 82 -16.522 -6.395 -17.265 544 HG1 THR 82 HG1 THR 82 -17.485 -8.282 -18.169 545 HG21 THR 82 HG21 THR 82 -18.090 -6.215 -19.071 546 HG22 THR 82 HG22 THR 82 -16.900 -6.414 -20.147 547 HG23 THR 82 HG23 THR 82 -16.962 -5.071 -19.248 548 H PHE 83 H PHE 83 -14.253 -8.859 -19.156 549 HA PHE 83 HA PHE 83 -14.428 -8.420 -21.968 550 HB2 PHE 83 HB2 PHE 83 -12.314 -9.056 -22.587 551 HB3 PHE 83 HB3 PHE 83 -12.128 -7.859 -21.491 552 HD1 PHE 83 HD1 PHE 83 -11.254 -11.111 -22.296 553 HD2 PHE 83 HD2 PHE 83 -11.535 -8.514 -19.095 554 HE1 PHE 83 HE1 PHE 83 -9.801 -12.520 -21.029 555 HE2 PHE 83 HE2 PHE 83 -10.081 -9.914 -17.823 556 HZ PHE 83 HZ PHE 83 -9.223 -11.934 -18.784 557 H GLY 84 H GLY 84 -13.941 -10.737 -23.084 558 HA2 GLY 84 HA2 GLY 84 -14.518 -12.844 -21.243 559 HA3 GLY 84 HA3 GLY 84 -15.676 -12.542 -22.354 560 H PHE 85 H PHE 85 -15.030 -14.990 -22.462 561 HA PHE 85 HA PHE 85 -13.524 -15.246 -24.842 562 HB2 PHE 85 HB2 PHE 85 -12.038 -16.933 -23.921 563 HB3 PHE 85 HB3 PHE 85 -11.784 -15.468 -23.245 564 HD1 PHE 85 HD1 PHE 85 -11.972 -15.155 -20.917 565 HD2 PHE 85 HD2 PHE 85 -13.354 -18.648 -22.632 566 HE1 PHE 85 HE1 PHE 85 -12.215 -16.122 -18.747 567 HE2 PHE 85 HE2 PHE 85 -13.622 -19.614 -20.462 568 HZ PHE 85 HZ PHE 85 -13.015 -18.362 -18.519 569 H THR 86 H THR 86 -13.512 -17.555 -25.703 570 HA THR 86 HA THR 86 -15.820 -18.978 -24.726 571 HB THR 86 HB THR 86 -16.312 -18.219 -26.949 572 HG1 THR 86 HG1 THR 86 -17.426 -19.940 -26.958 573 HG21 THR 86 HG21 THR 86 -15.039 -19.018 -28.805 574 HG22 THR 86 HG22 THR 86 -14.031 -19.793 -27.806 575 HG23 THR 86 HG23 THR 86 -14.061 -18.176 -27.830 576 H ALA 87 H ALA 87 -15.658 -21.331 -24.671 577 HA ALA 87 HA ALA 87 -12.991 -22.346 -24.850 578 HB1 ALA 87 HB1 ALA 87 -13.152 -21.547 -22.574 579 HB2 ALA 87 HB2 ALA 87 -13.044 -23.161 -22.560 580 HB3 ALA 87 HB3 ALA 87 -14.478 -22.444 -22.344 581 H THR 88 H THR 88 -12.844 -24.729 -24.514 582 HA THR 88 HA THR 88 -15.358 -26.008 -25.076 583 HB THR 88 HB THR 88 -14.201 -27.619 -26.513 584 HG1 THR 88 HG1 THR 88 -12.167 -27.647 -26.431 585 HG21 THR 88 HG21 THR 88 -14.037 -26.154 -28.405 586 HG22 THR 88 HG22 THR 88 -13.998 -24.867 -27.428 587 HG23 THR 88 HG23 THR 88 -15.349 -25.747 -27.553 588 H SER 89 H SER 89 -15.268 -28.445 -24.531 589 HA SER 89 HA SER 89 -13.362 -28.988 -22.478 590 HB2 SER 89 HB2 SER 89 -15.232 -28.071 -21.258 591 HB3 SER 89 HB3 SER 89 -16.227 -29.168 -21.946 592 HG SER 89 HG SER 89 -14.959 -29.431 -19.757 593 H THR 90 H THR 90 -13.050 -31.211 -21.945 594 HA THR 90 HA THR 90 -14.098 -32.966 -23.945 595 HB THR 90 HB THR 90 -12.232 -34.466 -23.306 596 HG1 THR 90 HG1 THR 90 -12.295 -33.352 -21.135 597 HG21 THR 90 HG21 THR 90 -10.464 -33.088 -24.168 598 HG22 THR 90 HG22 THR 90 -11.344 -31.758 -23.900 599 HG23 THR 90 HG23 THR 90 -11.797 -32.811 -25.041 600 H GLY 91 H GLY 91 -14.998 -32.013 -21.094 601 HA2 GLY 91 HA2 GLY 91 -16.798 -33.817 -20.453 602 HA3 GLY 91 HA3 GLY 91 -15.460 -34.519 -19.832 603 H ASN 92 H ASN 92 -14.135 -32.139 -19.007 604 HA ASN 92 HA ASN 92 -15.693 -31.580 -16.667 605 HB2 ASN 92 HB2 ASN 92 -12.941 -30.920 -17.258 606 HB3 ASN 92 HB3 ASN 92 -13.655 -30.585 -15.828 607 HD21 ASN 92 HD21 ASN 92 -13.510 -33.828 -14.523 608 HD22 ASN 92 HD22 ASN 92 -14.316 -32.300 -14.404 609 H ASP 93 H ASP 93 -17.325 -30.272 -17.700 610 HA ASP 93 HA ASP 93 -16.415 -27.840 -18.855 611 HB2 ASP 93 HB2 ASP 93 -18.677 -27.522 -19.543 612 HB3 ASP 93 HB3 ASP 93 -18.232 -29.052 -19.900 613 H PHE 94 H PHE 94 -17.124 -28.884 -15.863 614 HA PHE 94 HA PHE 94 -18.548 -26.742 -14.825 615 HB2 PHE 94 HB2 PHE 94 -16.932 -28.771 -13.557 616 HB3 PHE 94 HB3 PHE 94 -17.694 -27.639 -12.659 617 HD1 PHE 94 HD1 PHE 94 -20.055 -27.748 -12.263 618 HD2 PHE 94 HD2 PHE 94 -18.224 -30.511 -14.731 619 HE1 PHE 94 HE1 PHE 94 -22.029 -29.091 -12.214 620 HE2 PHE 94 HE2 PHE 94 -20.200 -31.853 -14.697 621 HZ PHE 94 HZ PHE 94 -22.112 -31.138 -13.450 622 HA PRO 95 HA PRO 95 -15.335 -23.841 -14.271 623 HB2 PRO 95 HB2 PRO 95 -16.298 -22.241 -12.375 624 HB3 PRO 95 HB3 PRO 95 -17.003 -22.216 -13.848 625 HG2 PRO 95 HG2 PRO 95 -17.842 -23.652 -11.536 626 HG3 PRO 95 HG3 PRO 95 -18.755 -22.733 -12.531 627 HD2 PRO 95 HD2 PRO 95 -18.712 -25.320 -12.801 628 HD3 PRO 95 HD3 PRO 95 -18.874 -24.358 -14.111 629 H VAL 96 H VAL 96 -13.700 -22.997 -12.799 630 HA VAL 96 HA VAL 96 -13.253 -25.002 -10.804 631 HB VAL 96 HB VAL 96 -11.177 -23.472 -12.167 632 HG11 VAL 96 HG11 VAL 96 -9.598 -24.980 -11.178 633 HG12 VAL 96 HG12 VAL 96 -10.795 -25.721 -10.382 634 HG13 VAL 96 HG13 VAL 96 -10.410 -24.192 -10.022 635 HG21 VAL 96 HG21 VAL 96 -10.698 -25.495 -13.389 636 HG22 VAL 96 HG22 VAL 96 -12.218 -25.026 -13.679 637 HG23 VAL 96 HG23 VAL 96 -11.930 -26.238 -12.649 638 H ASP 97 H ASP 97 -11.852 -21.815 -11.290 639 HA ASP 97 HA ASP 97 -12.885 -20.860 -8.846 640 HB2 ASP 97 HB2 ASP 97 -10.823 -22.183 -8.290 641 HB3 ASP 97 HB3 ASP 97 -10.003 -20.928 -8.940 642 H SER 98 H SER 98 -12.107 -18.545 -8.383 643 HA SER 98 HA SER 98 -11.786 -17.152 -10.837 644 HB2 SER 98 HB2 SER 98 -12.144 -16.120 -8.137 645 HB3 SER 98 HB3 SER 98 -12.065 -15.149 -9.448 646 HG SER 98 HG SER 98 -13.890 -16.217 -10.268 647 H ILE 99 H ILE 99 -10.129 -15.388 -11.071 648 HA ILE 99 HA ILE 99 -7.766 -16.082 -9.641 649 HB ILE 99 HB ILE 99 -6.392 -15.797 -11.625 650 HG12 ILE 99 HG12 ILE 99 -7.947 -14.198 -12.627 651 HG13 ILE 99 HG13 ILE 99 -7.094 -15.175 -13.620 652 HG21 ILE 99 HG21 ILE 99 -7.072 -17.772 -12.786 653 HG22 ILE 99 HG22 ILE 99 -8.504 -17.724 -12.037 654 HG23 ILE 99 HG23 ILE 99 -7.157 -18.002 -11.188 655 HD11 ILE 99 HD11 ILE 99 -9.330 -14.965 -14.403 656 HD12 ILE 99 HD12 ILE 99 -9.895 -15.534 -12.999 657 HD13 ILE 99 HD13 ILE 99 -9.050 -16.501 -13.982 658 H GLY 100 H GLY 100 -5.979 -14.411 -9.664 659 HA2 GLY 100 HA2 GLY 100 -7.153 -11.780 -9.547 660 HA3 GLY 100 HA3 GLY 100 -5.741 -12.219 -8.854 661 H CYS 101 H CYS 101 -5.322 -10.004 -10.064 662 HA CYS 101 HA CYS 101 -4.071 -10.763 -12.550 663 HB2 CYS 101 HB2 CYS 101 -4.573 -8.603 -13.405 664 HB3 CYS 101 HB3 CYS 101 -5.849 -9.613 -13.263 665 H VAL 102 H VAL 102 -2.276 -9.200 -13.216 666 HA VAL 102 HA VAL 102 -1.043 -8.232 -10.833 667 HB VAL 102 HB VAL 102 1.140 -9.050 -11.635 668 HG11 VAL 102 HG11 VAL 102 0.763 -11.367 -11.072 669 HG12 VAL 102 HG12 VAL 102 -0.830 -11.154 -11.253 670 HG13 VAL 102 HG13 VAL 102 -0.047 -10.415 -10.046 671 HG21 VAL 102 HG21 VAL 102 1.200 -10.628 -13.427 672 HG22 VAL 102 HG22 VAL 102 0.659 -9.200 -13.959 673 HG23 VAL 102 HG23 VAL 102 -0.381 -10.407 -13.682 674 H ALA 103 H ALA 103 0.706 -6.613 -11.112 675 HA ALA 103 HA ALA 103 0.187 -4.792 -13.213 676 HB1 ALA 103 HB1 ALA 103 0.898 -3.961 -11.095 677 HB2 ALA 103 HB2 ALA 103 1.979 -3.518 -12.213 678 HB3 ALA 103 HB3 ALA 103 2.298 -4.759 -11.226 679 HA PRO 104 HA PRO 104 3.241 -6.445 -15.873 680 HB2 PRO 104 HB2 PRO 104 3.944 -4.417 -17.434 681 HB3 PRO 104 HB3 PRO 104 2.427 -5.005 -17.569 682 HG2 PRO 104 HG2 PRO 104 3.300 -2.718 -16.128 683 HG3 PRO 104 HG3 PRO 104 1.983 -2.865 -17.083 684 HD2 PRO 104 HD2 PRO 104 1.827 -3.035 -14.455 685 HD3 PRO 104 HD3 PRO 104 0.752 -3.781 -15.432 Start of MODEL 10 1 H1 HIS 1 H1 HIS 1 1.209 1.431 -0.404 2 H2 HIS 1 H2 HIS 1 1.173 -0.144 -0.037 3 H3 HIS 1 H3 HIS 1 -0.080 0.538 -0.798 4 HA HIS 1 HA HIS 1 1.220 0.906 -2.686 5 HB2 HIS 1 HB2 HIS 1 3.365 -0.169 -1.103 6 HB3 HIS 1 HB3 HIS 1 3.466 -0.208 -2.732 7 HD1 HIS 1 HD1 HIS 1 5.311 1.456 -0.673 8 HD2 HIS 1 HD2 HIS 1 2.412 2.876 -3.191 9 HE1 HIS 1 HE1 HIS 1 5.732 3.874 -1.065 10 HE2 HIS 1 HE2 HIS 1 3.990 4.760 -2.584 11 H THR 2 H THR 2 1.806 -2.080 -0.883 12 HA THR 2 HA THR 2 1.104 -3.714 -3.005 13 HB THR 2 HB THR 2 2.291 -4.591 -1.081 14 HG1 THR 2 HG1 THR 2 0.889 -6.532 -0.906 15 HG21 THR 2 HG21 THR 2 1.056 -5.170 0.890 16 HG22 THR 2 HG22 THR 2 -0.284 -4.518 0.263 17 HG23 THR 2 HG23 THR 2 0.962 -3.571 0.670 18 H GLY 3 H GLY 3 -0.882 -5.023 -3.310 19 HA2 GLY 3 HA2 GLY 3 -3.192 -4.957 -2.112 20 HA3 GLY 3 HA3 GLY 3 -3.183 -3.433 -2.699 21 H SER 4 H SER 4 -1.948 -3.777 -5.122 22 HA SER 4 HA SER 4 -2.380 -4.331 -7.194 23 HB2 SER 4 HB2 SER 4 -1.779 -6.603 -6.228 24 HB3 SER 4 HB3 SER 4 -3.354 -6.967 -6.460 25 HG SER 4 HG SER 4 -2.228 -7.661 -8.198 26 H CYS 5 H CYS 5 -4.209 -6.039 -8.489 27 HA CYS 5 HA CYS 5 -6.707 -4.642 -8.048 28 HB2 CYS 5 HB2 CYS 5 -7.209 -5.506 -10.266 29 HB3 CYS 5 HB3 CYS 5 -6.161 -4.259 -10.153 30 H MET 6 H MET 6 -8.716 -6.069 -8.579 31 HA MET 6 HA MET 6 -8.196 -8.755 -7.663 32 HB2 MET 6 HB2 MET 6 -9.344 -7.283 -6.028 33 HB3 MET 6 HB3 MET 6 -10.642 -7.374 -7.015 34 HG2 MET 6 HG2 MET 6 -10.607 -9.717 -6.743 35 HG3 MET 6 HG3 MET 6 -9.412 -9.532 -5.645 36 HE1 MET 6 HE1 MET 6 -13.803 -8.984 -5.067 37 HE2 MET 6 HE2 MET 6 -13.032 -10.040 -6.018 38 HE3 MET 6 HE3 MET 6 -13.070 -8.473 -6.415 39 H ALA 7 H ALA 7 -9.084 -10.447 -8.811 40 HA ALA 7 HA ALA 7 -10.629 -9.636 -11.092 41 HB1 ALA 7 HB1 ALA 7 -8.598 -10.799 -11.634 42 HB2 ALA 7 HB2 ALA 7 -9.861 -11.677 -12.133 43 HB3 ALA 7 HB3 ALA 7 -9.087 -12.076 -10.771 44 H VAL 8 H VAL 8 -12.527 -10.673 -11.745 45 HA VAL 8 HA VAL 8 -13.683 -12.494 -9.829 46 HB VAL 8 HB VAL 8 -15.163 -10.407 -11.202 47 HG11 VAL 8 HG11 VAL 8 -17.057 -11.122 -9.910 48 HG12 VAL 8 HG12 VAL 8 -16.175 -12.315 -9.267 49 HG13 VAL 8 HG13 VAL 8 -16.537 -12.336 -10.843 50 HG21 VAL 8 HG21 VAL 8 -15.439 -9.394 -9.046 51 HG22 VAL 8 HG22 VAL 8 -13.868 -9.482 -9.417 52 HG23 VAL 8 HG23 VAL 8 -14.515 -10.542 -8.382 53 H TYR 9 H TYR 9 -14.455 -14.406 -10.775 54 HA TYR 9 HA TYR 9 -14.253 -14.482 -13.648 55 HB2 TYR 9 HB2 TYR 9 -12.833 -15.990 -12.398 56 HB3 TYR 9 HB3 TYR 9 -14.169 -16.706 -11.789 57 HD1 TYR 9 HD1 TYR 9 -15.525 -18.217 -13.188 58 HD2 TYR 9 HD2 TYR 9 -12.043 -16.512 -14.626 59 HE1 TYR 9 HE1 TYR 9 -15.490 -19.796 -14.986 60 HE2 TYR 9 HE2 TYR 9 -12.018 -18.085 -16.426 61 HH TYR 9 HH TYR 9 -13.674 -20.863 -16.513 62 H SER 10 H SER 10 -15.925 -15.060 -14.992 63 HA SER 10 HA SER 10 -18.267 -16.094 -13.723 64 HB2 SER 10 HB2 SER 10 -18.336 -13.793 -15.524 65 HB3 SER 10 HB3 SER 10 -19.682 -14.504 -14.934 66 HG SER 10 HG SER 10 -18.669 -12.570 -13.865 67 H VAL 11 H VAL 11 -19.731 -17.323 -14.998 68 HA VAL 11 HA VAL 11 -18.659 -18.075 -17.568 69 HB VAL 11 HB VAL 11 -20.460 -19.623 -15.893 70 HG11 VAL 11 HG11 VAL 11 -20.221 -21.392 -17.490 71 HG12 VAL 11 HG12 VAL 11 -19.323 -20.432 -18.431 72 HG13 VAL 11 HG13 VAL 11 -20.888 -20.100 -18.198 73 HG21 VAL 11 HG21 VAL 11 -18.595 -21.108 -15.590 74 HG22 VAL 11 HG22 VAL 11 -18.215 -19.633 -15.047 75 HG23 VAL 11 HG23 VAL 11 -17.666 -20.131 -16.484 76 H GLU 12 H GLU 12 -19.872 -17.717 -19.429 77 HA GLU 12 HA GLU 12 -22.155 -16.084 -19.094 78 HB2 GLU 12 HB2 GLU 12 -20.632 -15.546 -20.822 79 HB3 GLU 12 HB3 GLU 12 -20.834 -17.020 -21.495 80 HG2 GLU 12 HG2 GLU 12 -21.986 -15.537 -22.819 81 HG3 GLU 12 HG3 GLU 12 -23.113 -16.386 -21.996 82 H ASN 13 H ASN 13 -21.561 -19.029 -20.886 83 HA ASN 13 HA ASN 13 -24.014 -20.176 -20.211 84 HB2 ASN 13 HB2 ASN 13 -24.796 -18.554 -21.834 85 HB3 ASN 13 HB3 ASN 13 -23.821 -19.238 -22.952 86 HD21 ASN 13 HD21 ASN 13 -26.396 -21.210 -24.106 87 HD22 ASN 13 HD22 ASN 13 -25.185 -20.028 -24.475 88 H SER 14 H SER 14 -24.327 -22.340 -21.229 89 HA SER 14 HA SER 14 -22.008 -23.235 -22.697 90 HB2 SER 14 HB2 SER 14 -22.224 -25.408 -21.601 91 HB3 SER 14 HB3 SER 14 -21.850 -24.226 -20.537 92 HG SER 14 HG SER 14 -24.458 -24.929 -20.998 93 H TRP 15 H TRP 15 -22.362 -24.690 -24.428 94 HA TRP 15 HA TRP 15 -24.994 -25.531 -24.974 95 HB2 TRP 15 HB2 TRP 15 -25.163 -24.320 -27.089 96 HB3 TRP 15 HB3 TRP 15 -25.261 -23.349 -25.780 97 HD1 TRP 15 HD1 TRP 15 -21.837 -24.297 -26.719 98 HE1 TRP 15 HE1 TRP 15 -20.528 -22.393 -27.702 99 HE3 TRP 15 HE3 TRP 15 -25.648 -21.121 -27.243 100 HZ2 TRP 15 HZ2 TRP 15 -21.200 -19.822 -28.617 101 HZ3 TRP 15 HZ3 TRP 15 -25.234 -18.951 -28.176 102 HH2 TRP 15 HH2 TRP 15 -23.025 -18.317 -28.859 103 H SER 16 H SER 16 -25.064 -26.448 -27.411 104 HA SER 16 HA SER 16 -23.112 -28.370 -27.639 105 HB2 SER 16 HB2 SER 16 -23.950 -28.349 -30.072 106 HB3 SER 16 HB3 SER 16 -24.970 -28.841 -28.896 107 HG SER 16 HG SER 16 -24.847 -26.209 -29.664 108 H GLY 17 H GLY 17 -20.991 -28.255 -28.161 109 HA2 GLY 17 HA2 GLY 17 -19.429 -27.522 -29.801 110 HA3 GLY 17 HA3 GLY 17 -20.188 -26.078 -29.873 111 H GLY 18 H GLY 18 -20.352 -26.110 -26.832 112 HA2 GLY 18 HA2 GLY 18 -18.097 -26.218 -25.526 113 HA3 GLY 18 HA3 GLY 18 -17.786 -24.912 -26.456 114 H PHE 19 H PHE 19 -17.514 -23.615 -24.542 115 HA PHE 19 HA PHE 19 -20.037 -22.571 -23.715 116 HB2 PHE 19 HB2 PHE 19 -19.584 -22.666 -21.403 117 HB3 PHE 19 HB3 PHE 19 -19.547 -24.178 -22.017 118 HD1 PHE 19 HD1 PHE 19 -17.356 -25.311 -22.360 119 HD2 PHE 19 HD2 PHE 19 -17.698 -21.734 -20.314 120 HE1 PHE 19 HE1 PHE 19 -15.206 -25.665 -21.389 121 HE2 PHE 19 HE2 PHE 19 -15.553 -22.100 -19.319 122 HZ PHE 19 HZ PHE 19 -14.317 -24.076 -19.843 123 H GLN 20 H GLN 20 -19.777 -20.467 -22.460 124 HA GLN 20 HA GLN 20 -17.366 -19.164 -23.359 125 HB2 GLN 20 HB2 GLN 20 -20.028 -18.418 -23.829 126 HB3 GLN 20 HB3 GLN 20 -19.133 -17.180 -23.251 127 HG2 GLN 20 HG2 GLN 20 -17.808 -17.132 -25.067 128 HG3 GLN 20 HG3 GLN 20 -18.176 -18.667 -25.485 129 HE21 GLN 20 HE21 GLN 20 -20.271 -15.596 -26.951 130 HE22 GLN 20 HE22 GLN 20 -18.964 -15.393 -25.833 131 H GLY 21 H GLY 21 -16.450 -17.495 -22.083 132 HA2 GLY 21 HA2 GLY 21 -17.584 -17.227 -19.453 133 HA3 GLY 21 HA3 GLY 21 -16.057 -17.797 -19.569 134 H SER 22 H SER 22 -16.364 -15.623 -18.077 135 HA SER 22 HA SER 22 -15.082 -13.598 -19.621 136 HB2 SER 22 HB2 SER 22 -16.636 -11.877 -18.785 137 HB3 SER 22 HB3 SER 22 -17.359 -12.915 -19.819 138 HG SER 22 HG SER 22 -18.734 -13.211 -18.338 139 H VAL 23 H VAL 23 -13.965 -11.977 -18.312 140 HA VAL 23 HA VAL 23 -13.976 -12.583 -15.514 141 HB VAL 23 HB VAL 23 -11.533 -12.048 -15.455 142 HG11 VAL 23 HG11 VAL 23 -10.922 -14.327 -15.892 143 HG12 VAL 23 HG12 VAL 23 -12.337 -14.566 -16.636 144 HG13 VAL 23 HG13 VAL 23 -12.300 -14.274 -15.047 145 HG21 VAL 23 HG21 VAL 23 -10.310 -12.489 -17.455 146 HG22 VAL 23 HG22 VAL 23 -11.290 -11.221 -17.668 147 HG23 VAL 23 HG23 VAL 23 -11.695 -12.666 -18.270 148 H GLU 24 H GLU 24 -14.151 -10.801 -14.179 149 HA GLU 24 HA GLU 24 -13.846 -8.238 -15.465 150 HB2 GLU 24 HB2 GLU 24 -15.999 -8.665 -14.450 151 HB3 GLU 24 HB3 GLU 24 -15.258 -8.705 -12.995 152 HG2 GLU 24 HG2 GLU 24 -14.562 -6.430 -13.362 153 HG3 GLU 24 HG3 GLU 24 -15.478 -6.415 -14.714 154 H VAL 25 H VAL 25 -12.402 -6.683 -14.638 155 HA VAL 25 HA VAL 25 -10.883 -7.556 -12.351 156 HB VAL 25 HB VAL 25 -9.808 -6.046 -14.579 157 HG11 VAL 25 HG11 VAL 25 -7.684 -6.199 -13.479 158 HG12 VAL 25 HG12 VAL 25 -8.382 -6.933 -12.219 159 HG13 VAL 25 HG13 VAL 25 -8.728 -5.389 -12.548 160 HG21 VAL 25 HG21 VAL 25 -8.495 -8.013 -15.021 161 HG22 VAL 25 HG22 VAL 25 -10.069 -8.373 -15.108 162 HG23 VAL 25 HG23 VAL 25 -9.219 -8.776 -13.793 163 H MET 26 H MET 26 -11.660 -6.408 -10.660 164 HA MET 26 HA MET 26 -12.328 -3.663 -11.083 165 HB2 MET 26 HB2 MET 26 -13.241 -3.754 -8.848 166 HB3 MET 26 HB3 MET 26 -13.922 -4.846 -9.854 167 HG2 MET 26 HG2 MET 26 -12.686 -6.534 -8.946 168 HG3 MET 26 HG3 MET 26 -11.840 -5.475 -8.035 169 HE1 MET 26 HE1 MET 26 -14.157 -4.388 -5.251 170 HE2 MET 26 HE2 MET 26 -13.628 -3.591 -6.555 171 HE3 MET 26 HE3 MET 26 -12.611 -4.520 -5.707 172 H ASN 27 H ASN 27 -11.340 -1.895 -10.033 173 HA ASN 27 HA ASN 27 -8.658 -2.489 -9.334 174 HB2 ASN 27 HB2 ASN 27 -9.950 -0.262 -10.360 175 HB3 ASN 27 HB3 ASN 27 -9.010 0.188 -9.103 176 HD21 ASN 27 HD21 ASN 27 -7.395 -0.430 -12.644 177 HD22 ASN 27 HD22 ASN 27 -9.077 -0.160 -12.329 178 H HIS 28 H HIS 28 -7.921 -2.844 -7.349 179 HA HIS 28 HA HIS 28 -9.455 -1.848 -5.134 180 HB2 HIS 28 HB2 HIS 28 -8.767 -4.122 -5.034 181 HB3 HIS 28 HB3 HIS 28 -7.204 -3.658 -5.119 182 HD1 HIS 28 HD1 HIS 28 -10.065 -2.813 -2.832 183 HD2 HIS 28 HD2 HIS 28 -6.090 -3.768 -2.666 184 HE1 HIS 28 HE1 HIS 28 -9.361 -2.816 -0.449 185 HE2 HIS 28 HE2 HIS 28 -6.956 -3.377 -0.319 186 H GLY 29 H GLY 29 -6.838 -1.066 -7.017 187 HA2 GLY 29 HA2 GLY 29 -5.592 0.613 -5.072 188 HA3 GLY 29 HA3 GLY 29 -5.119 0.417 -6.623 189 H THR 30 H THR 30 -4.976 2.922 -5.921 190 HA THR 30 HA THR 30 -7.397 4.112 -6.936 191 HB THR 30 HB THR 30 -7.061 4.758 -4.625 192 HG1 THR 30 HG1 THR 30 -6.551 7.120 -5.749 193 HG21 THR 30 HG21 THR 30 -5.164 6.099 -4.030 194 HG22 THR 30 HG22 THR 30 -4.587 5.982 -5.536 195 HG23 THR 30 HG23 THR 30 -4.637 4.675 -4.585 196 H GLU 31 H GLU 31 -4.659 3.174 -7.964 197 HA GLU 31 HA GLU 31 -4.037 5.566 -9.462 198 HB2 GLU 31 HB2 GLU 31 -2.116 3.518 -8.768 199 HB3 GLU 31 HB3 GLU 31 -1.765 4.954 -9.464 200 HG2 GLU 31 HG2 GLU 31 -2.469 6.043 -7.443 201 HG3 GLU 31 HG3 GLU 31 -2.654 4.572 -6.759 202 HA PRO 32 HA PRO 32 -4.976 2.843 -12.773 203 HB2 PRO 32 HB2 PRO 32 -4.591 4.434 -14.870 204 HB3 PRO 32 HB3 PRO 32 -5.895 4.691 -13.920 205 HG2 PRO 32 HG2 PRO 32 -3.377 6.030 -13.832 206 HG3 PRO 32 HG3 PRO 32 -4.867 6.699 -13.800 207 HD2 PRO 32 HD2 PRO 32 -3.529 6.345 -11.599 208 HD3 PRO 32 HD3 PRO 32 -5.158 6.226 -11.606 209 H LEU 33 H LEU 33 -4.038 1.486 -14.270 210 HA LEU 33 HA LEU 33 -1.202 1.882 -14.619 211 HB2 LEU 33 HB2 LEU 33 -1.458 0.336 -12.840 212 HB3 LEU 33 HB3 LEU 33 -2.395 -0.609 -13.786 213 HG LEU 33 HG LEU 33 -0.484 -1.098 -15.142 214 HD11 LEU 33 HD11 LEU 33 1.692 -0.474 -14.412 215 HD12 LEU 33 HD12 LEU 33 1.050 0.394 -13.209 216 HD13 LEU 33 HD13 LEU 33 0.819 0.845 -14.744 217 HD21 LEU 33 HD21 LEU 33 0.568 -2.549 -13.519 218 HD22 LEU 33 HD22 LEU 33 -1.037 -2.589 -13.325 219 HD23 LEU 33 HD23 LEU 33 -0.123 -1.711 -12.320 220 H ASN 34 H ASN 34 -0.629 1.846 -16.722 221 HA ASN 34 HA ASN 34 -2.504 0.700 -18.535 222 HB2 ASN 34 HB2 ASN 34 -1.590 2.919 -18.965 223 HB3 ASN 34 HB3 ASN 34 -0.125 2.233 -19.191 224 HD21 ASN 34 HD21 ASN 34 -0.842 2.412 -22.601 225 HD22 ASN 34 HD22 ASN 34 0.056 3.124 -21.303 226 H GLY 35 H GLY 35 -2.133 -1.010 -19.988 227 HA2 GLY 35 HA2 GLY 35 -0.804 -2.492 -21.088 228 HA3 GLY 35 HA3 GLY 35 0.524 -1.908 -20.338 229 H TRP 36 H TRP 36 -1.747 -2.646 -18.077 230 HA TRP 36 HA TRP 36 -0.208 -4.679 -17.024 231 HB2 TRP 36 HB2 TRP 36 -1.610 -4.603 -15.224 232 HB3 TRP 36 HB3 TRP 36 -1.860 -3.127 -15.878 233 HD1 TRP 36 HD1 TRP 36 -3.660 -6.218 -15.097 234 HE1 TRP 36 HE1 TRP 36 -6.120 -6.078 -15.568 235 HE3 TRP 36 HE3 TRP 36 -3.568 -1.926 -17.644 236 HZ2 TRP 36 HZ2 TRP 36 -7.761 -4.195 -16.844 237 HZ3 TRP 36 HZ3 TRP 36 -5.630 -1.007 -18.435 238 HH2 TRP 36 HH2 TRP 36 -7.709 -2.129 -18.023 239 H ALA 37 H ALA 37 -1.181 -6.831 -16.222 240 HA ALA 37 HA ALA 37 -2.413 -8.045 -18.512 241 HB1 ALA 37 HB1 ALA 37 -0.064 -8.624 -18.404 242 HB2 ALA 37 HB2 ALA 37 -0.951 -9.959 -18.191 243 HB3 ALA 37 HB3 ALA 37 -0.277 -9.224 -16.917 244 H VAL 38 H VAL 38 -3.612 -10.000 -18.257 245 HA VAL 38 HA VAL 38 -4.516 -10.499 -15.566 246 HB VAL 38 HB VAL 38 -6.320 -10.444 -17.852 247 HG11 VAL 38 HG11 VAL 38 -8.084 -10.722 -16.257 248 HG12 VAL 38 HG12 VAL 38 -6.999 -10.807 -15.061 249 HG13 VAL 38 HG13 VAL 38 -7.065 -11.975 -16.178 250 HG21 VAL 38 HG21 VAL 38 -7.253 -8.438 -16.922 251 HG22 VAL 38 HG22 VAL 38 -5.694 -8.205 -17.281 252 HG23 VAL 38 HG23 VAL 38 -6.141 -8.458 -15.748 253 H GLN 39 H GLN 39 -4.519 -12.757 -15.060 254 HA GLN 39 HA GLN 39 -4.337 -14.434 -17.328 255 HB2 GLN 39 HB2 GLN 39 -2.384 -15.535 -16.646 256 HB3 GLN 39 HB3 GLN 39 -2.076 -13.942 -16.455 257 HG2 GLN 39 HG2 GLN 39 -2.763 -15.713 -14.304 258 HG3 GLN 39 HG3 GLN 39 -1.238 -15.246 -14.654 259 HE21 GLN 39 HE21 GLN 39 -2.676 -13.281 -11.818 260 HE22 GLN 39 HE22 GLN 39 -2.713 -14.976 -12.175 261 H TRP 40 H TRP 40 -4.582 -16.684 -17.160 262 HA TRP 40 HA TRP 40 -5.425 -17.765 -14.693 263 HB2 TRP 40 HB2 TRP 40 -7.559 -18.462 -15.290 264 HB3 TRP 40 HB3 TRP 40 -7.489 -16.853 -15.559 265 HD1 TRP 40 HD1 TRP 40 -7.803 -20.039 -17.425 266 HE1 TRP 40 HE1 TRP 40 -8.581 -19.694 -19.788 267 HE3 TRP 40 HE3 TRP 40 -7.470 -15.064 -17.478 268 HZ2 TRP 40 HZ2 TRP 40 -9.008 -17.433 -21.402 269 HZ3 TRP 40 HZ3 TRP 40 -8.095 -13.874 -19.463 270 HH2 TRP 40 HH2 TRP 40 -8.870 -15.056 -21.402 271 H GLN 41 H GLN 41 -6.076 -20.199 -15.088 272 HA GLN 41 HA GLN 41 -4.371 -21.258 -17.162 273 HB2 GLN 41 HB2 GLN 41 -3.722 -22.997 -15.550 274 HB3 GLN 41 HB3 GLN 41 -3.067 -21.522 -15.300 275 HG2 GLN 41 HG2 GLN 41 -5.377 -22.399 -13.854 276 HG3 GLN 41 HG3 GLN 41 -3.864 -22.683 -13.308 277 HE21 GLN 41 HE21 GLN 41 -5.458 -19.532 -11.927 278 HE22 GLN 41 HE22 GLN 41 -6.071 -21.137 -12.141 279 HA PRO 42 HA PRO 42 -7.821 -23.612 -18.122 280 HB2 PRO 42 HB2 PRO 42 -6.109 -25.827 -18.902 281 HB3 PRO 42 HB3 PRO 42 -7.185 -25.061 -19.862 282 HG2 PRO 42 HG2 PRO 42 -4.719 -24.659 -20.225 283 HG3 PRO 42 HG3 PRO 42 -5.748 -23.396 -20.339 284 HD2 PRO 42 HD2 PRO 42 -4.063 -24.077 -18.117 285 HD3 PRO 42 HD3 PRO 42 -4.312 -22.596 -18.759 286 H GLY 43 H GLY 43 -9.318 -25.012 -17.356 287 HA2 GLY 43 HA2 GLY 43 -8.620 -26.265 -14.921 288 HA3 GLY 43 HA3 GLY 43 -10.093 -26.275 -15.627 289 H GLY 44 H GLY 44 -9.284 -28.577 -14.427 290 HA2 GLY 44 HA2 GLY 44 -7.866 -30.225 -16.183 291 HA3 GLY 44 HA3 GLY 44 -8.685 -30.712 -14.857 292 H GLY 45 H GLY 45 -8.675 -30.511 -18.227 293 HA2 GLY 45 HA2 GLY 45 -10.019 -32.089 -19.396 294 HA3 GLY 45 HA3 GLY 45 -11.232 -31.851 -18.329 295 H THR 46 H THR 46 -10.033 -28.915 -18.807 296 HA THR 46 HA THR 46 -11.782 -28.378 -21.036 297 HB THR 46 HB THR 46 -12.404 -27.470 -18.702 298 HG1 THR 46 HG1 THR 46 -12.750 -26.236 -21.123 299 HG21 THR 46 HG21 THR 46 -11.637 -25.225 -18.381 300 HG22 THR 46 HG22 THR 46 -10.704 -25.339 -19.697 301 HG23 THR 46 HG23 THR 46 -10.361 -26.218 -18.384 302 H THR 47 H THR 47 -11.198 -26.662 -22.521 303 HA THR 47 HA THR 47 -8.615 -25.497 -22.141 304 HB THR 47 HB THR 47 -8.111 -27.463 -23.448 305 HG1 THR 47 HG1 THR 47 -6.647 -26.459 -24.536 306 HG21 THR 47 HG21 THR 47 -8.868 -27.576 -25.717 307 HG22 THR 47 HG22 THR 47 -9.741 -26.230 -25.511 308 HG23 THR 47 HG23 THR 47 -10.155 -27.590 -24.738 309 H LEU 48 H LEU 48 -8.279 -23.625 -23.736 310 HA LEU 48 HA LEU 48 -10.883 -22.544 -24.295 311 HB2 LEU 48 HB2 LEU 48 -9.965 -20.376 -23.927 312 HB3 LEU 48 HB3 LEU 48 -9.715 -21.323 -22.621 313 HG LEU 48 HG LEU 48 -7.523 -21.471 -24.288 314 HD11 LEU 48 HD11 LEU 48 -6.793 -19.199 -24.150 315 HD12 LEU 48 HD12 LEU 48 -8.202 -18.778 -23.476 316 HD13 LEU 48 HD13 LEU 48 -8.159 -19.283 -25.011 317 HD21 LEU 48 HD21 LEU 48 -6.368 -20.877 -22.282 318 HD22 LEU 48 HD22 LEU 48 -7.465 -22.021 -21.963 319 HD23 LEU 48 HD23 LEU 48 -7.770 -20.479 -21.582 320 H GLY 49 H GLY 49 -11.030 -20.857 -26.047 321 HA2 GLY 49 HA2 GLY 49 -9.288 -21.619 -28.232 322 HA3 GLY 49 HA3 GLY 49 -10.882 -21.325 -28.437 323 H GLY 50 H GLY 50 -11.711 -19.220 -28.521 324 HA2 GLY 50 HA2 GLY 50 -9.682 -17.283 -29.104 325 HA3 GLY 50 HA3 GLY 50 -11.264 -17.162 -29.491 326 H VAL 51 H VAL 51 -9.336 -15.341 -28.126 327 HA VAL 51 HA VAL 51 -11.016 -14.718 -25.850 328 HB VAL 51 HB VAL 51 -8.157 -14.283 -25.923 329 HG11 VAL 51 HG11 VAL 51 -8.367 -13.602 -23.632 330 HG12 VAL 51 HG12 VAL 51 -9.971 -13.790 -23.720 331 HG13 VAL 51 HG13 VAL 51 -9.244 -12.632 -24.583 332 HG21 VAL 51 HG21 VAL 51 -7.990 -16.004 -24.256 333 HG22 VAL 51 HG22 VAL 51 -8.611 -16.610 -25.620 334 HG23 VAL 51 HG23 VAL 51 -9.580 -16.272 -24.370 335 H TRP 52 H TRP 52 -11.631 -12.471 -25.726 336 HA TRP 52 HA TRP 52 -10.572 -10.851 -27.842 337 HB2 TRP 52 HB2 TRP 52 -12.997 -9.969 -27.944 338 HB3 TRP 52 HB3 TRP 52 -12.530 -11.241 -28.855 339 HD1 TRP 52 HD1 TRP 52 -13.353 -13.684 -28.009 340 HE1 TRP 52 HE1 TRP 52 -15.374 -14.460 -26.736 341 HE3 TRP 52 HE3 TRP 52 -14.648 -9.250 -26.116 342 HZ2 TRP 52 HZ2 TRP 52 -17.316 -13.169 -25.172 343 HZ3 TRP 52 HZ3 TRP 52 -16.616 -9.099 -24.754 344 HH2 TRP 52 HH2 TRP 52 -17.944 -11.044 -24.307 345 H ASN 53 H ASN 53 -11.152 -8.488 -27.682 346 HA ASN 53 HA ASN 53 -10.918 -6.639 -26.564 347 HB2 ASN 53 HB2 ASN 53 -12.200 -7.992 -24.353 348 HB3 ASN 53 HB3 ASN 53 -11.872 -6.393 -24.306 349 HD21 ASN 53 HD21 ASN 53 -15.371 -6.665 -25.243 350 HD22 ASN 53 HD22 ASN 53 -14.405 -7.083 -23.867 351 H GLY 54 H GLY 54 -8.629 -7.941 -26.829 352 HA2 GLY 54 HA2 GLY 54 -6.962 -6.517 -25.272 353 HA3 GLY 54 HA3 GLY 54 -7.154 -7.902 -24.430 354 H SER 55 H SER 55 -4.621 -7.289 -25.273 355 HA SER 55 HA SER 55 -4.175 -8.782 -27.663 356 HB2 SER 55 HB2 SER 55 -1.934 -8.101 -27.531 357 HB3 SER 55 HB3 SER 55 -2.819 -6.797 -27.104 358 HG SER 55 HG SER 55 -2.504 -7.687 -24.897 359 H LEU 56 H LEU 56 -2.987 -10.809 -27.768 360 HA LEU 56 HA LEU 56 -3.376 -12.214 -25.300 361 HB2 LEU 56 HB2 LEU 56 -3.347 -13.432 -27.932 362 HB3 LEU 56 HB3 LEU 56 -3.895 -14.142 -26.567 363 HG LEU 56 HG LEU 56 -5.224 -12.036 -28.007 364 HD11 LEU 56 HD11 LEU 56 -6.905 -13.731 -28.390 365 HD12 LEU 56 HD12 LEU 56 -6.007 -14.803 -27.578 366 HD13 LEU 56 HD13 LEU 56 -5.485 -14.218 -28.993 367 HD21 LEU 56 HD21 LEU 56 -6.987 -12.171 -26.422 368 HD22 LEU 56 HD22 LEU 56 -5.621 -11.691 -25.702 369 HD23 LEU 56 HD23 LEU 56 -6.127 -13.219 -25.541 370 H THR 57 H THR 57 -1.898 -13.483 -24.334 371 HA THR 57 HA THR 57 0.508 -14.073 -25.771 372 HB THR 57 HB THR 57 1.813 -13.574 -23.704 373 HG1 THR 57 HG1 THR 57 -0.645 -12.627 -22.989 374 HG21 THR 57 HG21 THR 57 1.958 -11.219 -24.157 375 HG22 THR 57 HG22 THR 57 0.567 -11.275 -24.979 376 HG23 THR 57 HG23 THR 57 1.882 -12.011 -25.564 377 H SER 58 H SER 58 1.732 -15.931 -24.731 378 HA SER 58 HA SER 58 0.094 -17.446 -22.915 379 HB2 SER 58 HB2 SER 58 0.158 -18.179 -25.449 380 HB3 SER 58 HB3 SER 58 1.372 -19.086 -24.842 381 HG SER 58 HG SER 58 -1.234 -19.064 -23.952 382 H GLY 59 H GLY 59 1.242 -18.925 -21.521 383 HA2 GLY 59 HA2 GLY 59 4.018 -18.202 -21.286 384 HA3 GLY 59 HA3 GLY 59 3.107 -18.873 -20.108 385 H SER 60 H SER 60 5.547 -19.946 -20.445 386 HA SER 60 HA SER 60 5.625 -21.971 -22.316 387 HB2 SER 60 HB2 SER 60 7.114 -21.887 -19.801 388 HB3 SER 60 HB3 SER 60 7.583 -22.717 -21.127 389 HG SER 60 HG SER 60 8.721 -21.002 -21.419 390 H ASP 61 H ASP 61 4.075 -21.755 -19.349 391 HA ASP 61 HA ASP 61 3.970 -24.531 -18.859 392 HB2 ASP 61 HB2 ASP 61 2.497 -22.427 -17.501 393 HB3 ASP 61 HB3 ASP 61 2.736 -23.929 -16.906 394 H GLY 62 H GLY 62 2.499 -22.824 -21.097 395 HA2 GLY 62 HA2 GLY 62 0.713 -23.453 -22.376 396 HA3 GLY 62 HA3 GLY 62 0.321 -24.627 -21.310 397 H THR 63 H THR 63 0.757 -21.736 -19.785 398 HA THR 63 HA THR 63 -2.031 -21.406 -19.356 399 HB THR 63 HB THR 63 -1.273 -19.656 -17.750 400 HG1 THR 63 HG1 THR 63 1.264 -20.566 -18.305 401 HG21 THR 63 HG21 THR 63 -0.322 -21.221 -16.193 402 HG22 THR 63 HG22 THR 63 -0.014 -22.257 -17.396 403 HG23 THR 63 HG23 THR 63 -1.542 -21.949 -16.967 404 H VAL 64 H VAL 64 -3.013 -19.113 -19.446 405 HA VAL 64 HA VAL 64 -1.916 -17.788 -21.733 406 HB VAL 64 HB VAL 64 -4.222 -17.296 -22.495 407 HG11 VAL 64 HG11 VAL 64 -4.617 -19.471 -23.418 408 HG12 VAL 64 HG12 VAL 64 -3.565 -20.114 -22.372 409 HG13 VAL 64 HG13 VAL 64 -3.046 -19.107 -23.525 410 HG21 VAL 64 HG21 VAL 64 -6.018 -18.531 -21.534 411 HG22 VAL 64 HG22 VAL 64 -5.347 -17.571 -20.419 412 HG23 VAL 64 HG23 VAL 64 -5.012 -19.153 -20.431 413 H THR 65 H THR 65 -2.251 -15.515 -21.988 414 HA THR 65 HA THR 65 -3.152 -14.179 -19.631 415 HB THR 65 HB THR 65 -0.469 -13.713 -20.699 416 HG1 THR 65 HG1 THR 65 -0.504 -14.458 -18.175 417 HG21 THR 65 HG21 THR 65 -0.162 -12.245 -18.833 418 HG22 THR 65 HG22 THR 65 -1.674 -12.529 -18.337 419 HG23 THR 65 HG23 THR 65 -1.413 -11.711 -19.708 420 H VAL 66 H VAL 66 -4.239 -12.287 -20.022 421 HA VAL 66 HA VAL 66 -4.126 -11.300 -22.718 422 HB VAL 66 HB VAL 66 -6.058 -10.195 -20.949 423 HG11 VAL 66 HG11 VAL 66 -7.464 -10.303 -22.905 424 HG12 VAL 66 HG12 VAL 66 -6.298 -11.097 -23.696 425 HG13 VAL 66 HG13 VAL 66 -6.073 -9.557 -23.257 426 HG21 VAL 66 HG21 VAL 66 -7.566 -12.074 -21.137 427 HG22 VAL 66 HG22 VAL 66 -6.233 -12.513 -20.333 428 HG23 VAL 66 HG23 VAL 66 -6.414 -12.925 -21.886 429 H ARG 67 H ARG 67 -3.306 -9.136 -23.122 430 HA ARG 67 HA ARG 67 -3.037 -7.480 -20.820 431 HB2 ARG 67 HB2 ARG 67 -0.704 -7.121 -21.069 432 HB3 ARG 67 HB3 ARG 67 -0.980 -8.718 -20.868 433 HG2 ARG 67 HG2 ARG 67 -0.636 -9.101 -23.156 434 HG3 ARG 67 HG3 ARG 67 -0.468 -7.498 -23.424 435 HD2 ARG 67 HD2 ARG 67 1.339 -9.040 -21.766 436 HD3 ARG 67 HD3 ARG 67 1.680 -8.586 -23.298 437 HE ARG 67 HE ARG 67 1.188 -6.239 -22.187 438 HH11 ARG 67 HH11 ARG 67 2.611 -4.935 -21.053 439 HH12 ARG 67 HH12 ARG 67 4.011 -5.620 -20.297 440 HH21 ARG 67 HH21 ARG 67 3.293 -8.889 -21.230 441 HH22 ARG 67 HH22 ARG 67 4.395 -7.844 -20.397 442 H ASN 68 H ASN 68 -1.798 -5.327 -21.449 443 HA ASN 68 HA ASN 68 -1.943 -3.471 -22.639 444 HB2 ASN 68 HB2 ASN 68 -1.923 -5.153 -24.993 445 HB3 ASN 68 HB3 ASN 68 -1.563 -3.560 -25.003 446 HD21 ASN 68 HD21 ASN 68 1.565 -5.516 -25.061 447 HD22 ASN 68 HD22 ASN 68 0.152 -5.451 -26.059 448 H VAL 69 H VAL 69 -4.197 -3.682 -21.557 449 HA VAL 69 HA VAL 69 -6.380 -4.088 -23.161 450 HB VAL 69 HB VAL 69 -6.148 -2.557 -20.696 451 HG11 VAL 69 HG11 VAL 69 -8.527 -2.545 -20.511 452 HG12 VAL 69 HG12 VAL 69 -8.654 -3.234 -21.969 453 HG13 VAL 69 HG13 VAL 69 -8.076 -1.730 -21.832 454 HG21 VAL 69 HG21 VAL 69 -7.162 -4.485 -19.695 455 HG22 VAL 69 HG22 VAL 69 -5.807 -4.916 -20.464 456 HG23 VAL 69 HG23 VAL 69 -7.247 -5.198 -21.144 457 H ASP 70 H ASP 70 -7.584 -2.946 -24.538 458 HA ASP 70 HA ASP 70 -6.697 -0.271 -25.086 459 HB2 ASP 70 HB2 ASP 70 -7.470 -0.658 -27.350 460 HB3 ASP 70 HB3 ASP 70 -6.349 -1.765 -26.919 461 H HIS 71 H HIS 71 -9.364 -2.191 -24.275 462 HA HIS 71 HA HIS 71 -11.286 -0.313 -25.101 463 HB2 HIS 71 HB2 HIS 71 -12.879 -1.935 -24.146 464 HB3 HIS 71 HB3 HIS 71 -11.891 -2.587 -25.270 465 HD1 HIS 71 HD1 HIS 71 -12.724 -2.741 -21.694 466 HD2 HIS 71 HD2 HIS 71 -10.024 -4.431 -24.262 467 HE1 HIS 71 HE1 HIS 71 -11.664 -4.681 -20.551 468 HE2 HIS 71 HE2 HIS 71 -10.033 -5.728 -22.086 469 H ASN 72 H ASN 72 -9.346 -0.112 -22.619 470 HA ASN 72 HA ASN 72 -11.295 0.864 -20.782 471 HB2 ASN 72 HB2 ASN 72 -9.562 1.024 -19.200 472 HB3 ASN 72 HB3 ASN 72 -9.359 -0.399 -19.976 473 HD21 ASN 72 HD21 ASN 72 -6.236 1.789 -19.689 474 HD22 ASN 72 HD22 ASN 72 -7.527 1.558 -18.557 475 H ARG 73 H ARG 73 -9.922 2.028 -23.410 476 HA ARG 73 HA ARG 73 -8.886 4.447 -22.653 477 HB2 ARG 73 HB2 ARG 73 -8.687 3.385 -24.865 478 HB3 ARG 73 HB3 ARG 73 -10.194 3.922 -25.191 479 HG2 ARG 73 HG2 ARG 73 -9.426 6.156 -25.065 480 HG3 ARG 73 HG3 ARG 73 -7.919 5.620 -24.736 481 HD2 ARG 73 HD2 ARG 73 -8.080 6.197 -27.027 482 HD3 ARG 73 HD3 ARG 73 -7.829 4.589 -26.885 483 HE ARG 73 HE ARG 73 -9.867 4.132 -27.770 484 HH11 ARG 73 HH11 ARG 73 -9.605 7.559 -26.997 485 HH12 ARG 73 HH12 ARG 73 -11.076 7.956 -27.820 486 HH21 ARG 73 HH21 ARG 73 -11.762 4.699 -28.812 487 HH22 ARG 73 HH22 ARG 73 -12.289 6.349 -28.840 488 H VAL 74 H VAL 74 -12.103 3.507 -22.863 489 HA VAL 74 HA VAL 74 -12.951 6.239 -22.624 490 HB VAL 74 HB VAL 74 -14.942 4.280 -23.300 491 HG11 VAL 74 HG11 VAL 74 -15.834 6.077 -24.624 492 HG12 VAL 74 HG12 VAL 74 -14.543 6.985 -24.272 493 HG13 VAL 74 HG13 VAL 74 -15.591 6.583 -23.108 494 HG21 VAL 74 HG21 VAL 74 -14.363 4.291 -25.630 495 HG22 VAL 74 HG22 VAL 74 -13.157 3.644 -24.769 496 HG23 VAL 74 HG23 VAL 74 -13.042 5.165 -25.304 497 H VAL 75 H VAL 75 -12.014 4.278 -20.609 498 HA VAL 75 HA VAL 75 -14.327 4.249 -18.848 499 HB VAL 75 HB VAL 75 -12.080 2.421 -18.802 500 HG11 VAL 75 HG11 VAL 75 -13.240 1.228 -17.082 501 HG12 VAL 75 HG12 VAL 75 -14.399 2.356 -17.075 502 HG13 VAL 75 HG13 VAL 75 -12.903 2.731 -16.588 503 HG21 VAL 75 HG21 VAL 75 -13.674 0.742 -19.497 504 HG22 VAL 75 HG22 VAL 75 -13.593 1.916 -20.606 505 HG23 VAL 75 HG23 VAL 75 -14.831 1.869 -19.567 506 HA PRO 76 HA PRO 76 -11.878 7.112 -16.624 507 HB2 PRO 76 HB2 PRO 76 -12.917 6.941 -14.147 508 HB3 PRO 76 HB3 PRO 76 -13.716 7.756 -15.316 509 HG2 PRO 76 HG2 PRO 76 -14.125 5.068 -14.471 510 HG3 PRO 76 HG3 PRO 76 -15.251 6.225 -14.717 511 HD2 PRO 76 HD2 PRO 76 -14.842 4.484 -16.565 512 HD3 PRO 76 HD3 PRO 76 -15.106 6.037 -16.996 513 HA PRO 77 HA PRO 77 -8.639 4.992 -14.897 514 HB2 PRO 77 HB2 PRO 77 -7.569 6.684 -13.118 515 HB3 PRO 77 HB3 PRO 77 -7.398 6.981 -14.715 516 HG2 PRO 77 HG2 PRO 77 -9.338 8.071 -12.935 517 HG3 PRO 77 HG3 PRO 77 -8.411 8.869 -14.017 518 HD2 PRO 77 HD2 PRO 77 -10.841 8.283 -14.639 519 HD3 PRO 77 HD3 PRO 77 -9.682 8.180 -15.785 520 H ASP 78 H ASP 78 -7.795 3.817 -13.166 521 HA ASP 78 HA ASP 78 -8.328 2.303 -11.686 522 HB2 ASP 78 HB2 ASP 78 -8.809 3.235 -9.411 523 HB3 ASP 78 HB3 ASP 78 -7.444 3.756 -10.142 524 H GLY 79 H GLY 79 -10.514 2.742 -13.420 525 HA2 GLY 79 HA2 GLY 79 -12.750 2.008 -11.792 526 HA3 GLY 79 HA3 GLY 79 -12.771 2.243 -13.408 527 H SER 80 H SER 80 -14.166 0.199 -13.136 528 HA SER 80 HA SER 80 -12.477 -2.115 -13.079 529 HB2 SER 80 HB2 SER 80 -14.497 -2.187 -11.706 530 HB3 SER 80 HB3 SER 80 -15.391 -2.113 -13.071 531 HG SER 80 HG SER 80 -14.397 -4.211 -11.929 532 H VAL 81 H VAL 81 -12.415 -3.688 -14.775 533 HA VAL 81 HA VAL 81 -13.783 -2.907 -17.161 534 HB VAL 81 HB VAL 81 -11.842 -3.505 -18.522 535 HG11 VAL 81 HG11 VAL 81 -10.599 -1.498 -18.113 536 HG12 VAL 81 HG12 VAL 81 -11.339 -1.325 -16.686 537 HG13 VAL 81 HG13 VAL 81 -12.185 -1.190 -18.057 538 HG21 VAL 81 HG21 VAL 81 -9.709 -3.742 -17.464 539 HG22 VAL 81 HG22 VAL 81 -10.708 -4.915 -16.972 540 HG23 VAL 81 HG23 VAL 81 -10.413 -3.648 -16.012 541 H THR 82 H THR 82 -14.017 -4.733 -18.796 542 HA THR 82 HA THR 82 -13.794 -7.273 -17.502 543 HB THR 82 HB THR 82 -16.133 -6.571 -17.328 544 HG1 THR 82 HG1 THR 82 -17.050 -8.465 -18.098 545 HG21 THR 82 HG21 THR 82 -17.462 -6.438 -19.324 546 HG22 THR 82 HG22 THR 82 -16.157 -6.730 -20.233 547 HG23 THR 82 HG23 THR 82 -16.280 -5.339 -19.418 548 H PHE 83 H PHE 83 -13.908 -9.188 -18.888 549 HA PHE 83 HA PHE 83 -13.029 -8.650 -21.576 550 HB2 PHE 83 HB2 PHE 83 -11.787 -10.586 -19.811 551 HB3 PHE 83 HB3 PHE 83 -11.353 -10.357 -21.369 552 HD1 PHE 83 HD1 PHE 83 -9.803 -8.708 -21.980 553 HD2 PHE 83 HD2 PHE 83 -11.289 -8.800 -18.122 554 HE1 PHE 83 HE1 PHE 83 -8.116 -7.157 -21.297 555 HE2 PHE 83 HE2 PHE 83 -9.621 -7.231 -17.442 556 HZ PHE 83 HZ PHE 83 -8.034 -6.408 -19.026 557 H GLY 84 H GLY 84 -13.009 -10.891 -22.883 558 HA2 GLY 84 HA2 GLY 84 -14.761 -12.814 -21.722 559 HA3 GLY 84 HA3 GLY 84 -15.338 -12.089 -23.067 560 H PHE 85 H PHE 85 -14.926 -14.866 -22.808 561 HA PHE 85 HA PHE 85 -13.207 -15.293 -25.004 562 HB2 PHE 85 HB2 PHE 85 -11.830 -16.938 -23.850 563 HB3 PHE 85 HB3 PHE 85 -11.605 -15.432 -23.261 564 HD1 PHE 85 HD1 PHE 85 -12.244 -14.864 -21.008 565 HD2 PHE 85 HD2 PHE 85 -13.001 -18.635 -22.530 566 HE1 PHE 85 HE1 PHE 85 -12.728 -15.652 -18.807 567 HE2 PHE 85 HE2 PHE 85 -13.498 -19.424 -20.335 568 HZ PHE 85 HZ PHE 85 -13.370 -17.932 -18.471 569 H THR 86 H THR 86 -13.170 -17.660 -25.718 570 HA THR 86 HA THR 86 -15.550 -19.003 -24.804 571 HB THR 86 HB THR 86 -15.935 -18.232 -27.050 572 HG1 THR 86 HG1 THR 86 -17.141 -19.902 -27.018 573 HG21 THR 86 HG21 THR 86 -14.658 -19.138 -28.864 574 HG22 THR 86 HG22 THR 86 -13.722 -19.948 -27.824 575 HG23 THR 86 HG23 THR 86 -13.661 -18.333 -27.878 576 H ALA 87 H ALA 87 -15.509 -21.368 -24.777 577 HA ALA 87 HA ALA 87 -12.909 -22.517 -24.868 578 HB1 ALA 87 HB1 ALA 87 -12.970 -21.556 -22.651 579 HB2 ALA 87 HB2 ALA 87 -12.938 -23.168 -22.529 580 HB3 ALA 87 HB3 ALA 87 -14.330 -22.369 -22.328 581 H THR 88 H THR 88 -12.904 -24.879 -24.222 582 HA THR 88 HA THR 88 -15.459 -26.070 -24.735 583 HB THR 88 HB THR 88 -14.280 -27.829 -26.081 584 HG1 THR 88 HG1 THR 88 -12.243 -27.775 -26.115 585 HG21 THR 88 HG21 THR 88 -14.204 -26.518 -28.082 586 HG22 THR 88 HG22 THR 88 -14.198 -25.156 -27.210 587 HG23 THR 88 HG23 THR 88 -15.515 -26.093 -27.236 588 H SER 89 H SER 89 -15.553 -28.436 -24.012 589 HA SER 89 HA SER 89 -13.534 -29.123 -22.146 590 HB2 SER 89 HB2 SER 89 -15.044 -27.826 -20.757 591 HB3 SER 89 HB3 SER 89 -16.287 -28.784 -21.209 592 HG SER 89 HG SER 89 -14.959 -29.111 -19.153 593 H THR 90 H THR 90 -13.563 -31.335 -21.388 594 HA THR 90 HA THR 90 -14.902 -33.086 -23.105 595 HB THR 90 HB THR 90 -13.883 -34.858 -21.676 596 HG1 THR 90 HG1 THR 90 -13.168 -32.636 -20.219 597 HG21 THR 90 HG21 THR 90 -11.606 -34.352 -22.246 598 HG22 THR 90 HG22 THR 90 -11.997 -32.805 -22.507 599 HG23 THR 90 HG23 THR 90 -12.548 -33.956 -23.499 600 H GLY 91 H GLY 91 -15.745 -31.419 -20.427 601 HA2 GLY 91 HA2 GLY 91 -18.166 -31.965 -19.869 602 HA3 GLY 91 HA3 GLY 91 -17.558 -33.399 -19.379 603 H ASN 92 H ASN 92 -15.055 -32.172 -18.485 604 HA ASN 92 HA ASN 92 -15.963 -31.184 -15.966 605 HB2 ASN 92 HB2 ASN 92 -13.317 -31.939 -16.863 606 HB3 ASN 92 HB3 ASN 92 -13.579 -31.331 -15.370 607 HD21 ASN 92 HD21 ASN 92 -13.593 -35.144 -15.650 608 HD22 ASN 92 HD22 ASN 92 -12.648 -33.985 -16.524 609 H ASP 93 H ASP 93 -16.662 -29.072 -16.274 610 HA ASP 93 HA ASP 93 -14.819 -27.240 -17.464 611 HB2 ASP 93 HB2 ASP 93 -16.594 -25.677 -17.449 612 HB3 ASP 93 HB3 ASP 93 -17.172 -27.091 -18.027 613 H PHE 94 H PHE 94 -15.007 -28.597 -14.656 614 HA PHE 94 HA PHE 94 -15.245 -26.574 -12.831 615 HB2 PHE 94 HB2 PHE 94 -13.755 -29.041 -12.484 616 HB3 PHE 94 HB3 PHE 94 -14.338 -28.138 -11.254 617 HD1 PHE 94 HD1 PHE 94 -16.902 -27.862 -11.137 618 HD2 PHE 94 HD2 PHE 94 -15.005 -30.837 -13.295 619 HE1 PHE 94 HE1 PHE 94 -18.936 -29.104 -11.201 620 HE2 PHE 94 HE2 PHE 94 -17.039 -32.092 -13.349 621 HZ PHE 94 HZ PHE 94 -19.006 -31.229 -12.298 622 HA PRO 95 HA PRO 95 -11.279 -24.759 -12.992 623 HB2 PRO 95 HB2 PRO 95 -11.351 -23.136 -10.892 624 HB3 PRO 95 HB3 PRO 95 -12.320 -22.788 -12.160 625 HG2 PRO 95 HG2 PRO 95 -13.010 -24.154 -9.755 626 HG3 PRO 95 HG3 PRO 95 -13.830 -22.950 -10.493 627 HD2 PRO 95 HD2 PRO 95 -14.520 -25.459 -10.822 628 HD3 PRO 95 HD3 PRO 95 -14.764 -24.357 -12.002 629 H VAL 96 H VAL 96 -9.231 -24.533 -11.836 630 HA VAL 96 HA VAL 96 -8.993 -26.690 -9.959 631 HB VAL 96 HB VAL 96 -6.872 -25.481 -11.560 632 HG11 VAL 96 HG11 VAL 96 -5.415 -27.188 -10.730 633 HG12 VAL 96 HG12 VAL 96 -6.594 -27.740 -9.771 634 HG13 VAL 96 HG13 VAL 96 -5.952 -26.281 -9.504 635 HG21 VAL 96 HG21 VAL 96 -6.846 -27.558 -12.761 636 HG22 VAL 96 HG22 VAL 96 -8.310 -26.880 -12.871 637 HG23 VAL 96 HG23 VAL 96 -8.062 -28.108 -11.849 638 H ASP 97 H ASP 97 -7.989 -23.421 -10.579 639 HA ASP 97 HA ASP 97 -7.880 -22.841 -7.812 640 HB2 ASP 97 HB2 ASP 97 -5.629 -22.115 -7.759 641 HB3 ASP 97 HB3 ASP 97 -5.660 -23.672 -8.252 642 H SER 98 H SER 98 -6.758 -20.392 -7.701 643 HA SER 98 HA SER 98 -8.878 -18.985 -8.796 644 HB2 SER 98 HB2 SER 98 -6.583 -17.921 -7.314 645 HB3 SER 98 HB3 SER 98 -7.970 -17.087 -7.537 646 HG SER 98 HG SER 98 -9.048 -18.700 -6.353 647 H ILE 99 H ILE 99 -8.905 -16.968 -9.960 648 HA ILE 99 HA ILE 99 -6.754 -16.798 -11.850 649 HB ILE 99 HB ILE 99 -8.176 -15.762 -13.365 650 HG12 ILE 99 HG12 ILE 99 -9.148 -14.168 -11.990 651 HG13 ILE 99 HG13 ILE 99 -10.281 -14.912 -12.901 652 HG21 ILE 99 HG21 ILE 99 -10.010 -17.301 -13.563 653 HG22 ILE 99 HG22 ILE 99 -9.742 -17.815 -12.053 654 HG23 ILE 99 HG23 ILE 99 -8.645 -18.093 -13.209 655 HD11 ILE 99 HD11 ILE 99 -11.113 -14.542 -10.705 656 HD12 ILE 99 HD12 ILE 99 -9.891 -15.395 -10.079 657 HD13 ILE 99 HD13 ILE 99 -11.013 -16.132 -10.981 658 H GLY 100 H GLY 100 -5.976 -14.553 -12.509 659 HA2 GLY 100 HA2 GLY 100 -6.385 -12.598 -10.480 660 HA3 GLY 100 HA3 GLY 100 -4.889 -13.254 -10.502 661 H CYS 101 H CYS 101 -4.703 -10.741 -10.668 662 HA CYS 101 HA CYS 101 -4.096 -10.233 -13.439 663 HB2 CYS 101 HB2 CYS 101 -4.788 -7.983 -13.173 664 HB3 CYS 101 HB3 CYS 101 -6.004 -9.074 -13.192 665 H VAL 102 H VAL 102 -2.230 -8.914 -13.805 666 HA VAL 102 HA VAL 102 -0.745 -8.378 -11.449 667 HB VAL 102 HB VAL 102 1.271 -9.446 -12.407 668 HG11 VAL 102 HG11 VAL 102 0.619 -11.717 -11.996 669 HG12 VAL 102 HG12 VAL 102 -0.938 -11.287 -12.065 670 HG13 VAL 102 HG13 VAL 102 -0.003 -10.748 -10.861 671 HG21 VAL 102 HG21 VAL 102 1.031 -10.872 -14.318 672 HG22 VAL 102 HG22 VAL 102 0.674 -9.346 -14.716 673 HG23 VAL 102 HG23 VAL 102 -0.513 -10.415 -14.471 674 H ALA 103 H ALA 103 1.300 -7.101 -11.780 675 HA ALA 103 HA ALA 103 0.883 -5.000 -13.603 676 HB1 ALA 103 HB1 ALA 103 1.971 -4.577 -11.502 677 HB2 ALA 103 HB2 ALA 103 2.965 -4.140 -12.700 678 HB3 ALA 103 HB3 ALA 103 3.199 -5.540 -11.926 679 HA PRO 104 HA PRO 104 3.244 -6.653 -16.864 680 HB2 PRO 104 HB2 PRO 104 4.044 -4.530 -18.246 681 HB3 PRO 104 HB3 PRO 104 2.443 -4.851 -18.187 682 HG2 PRO 104 HG2 PRO 104 3.916 -2.996 -16.614 683 HG3 PRO 104 HG3 PRO 104 2.483 -2.764 -17.362 684 HD2 PRO 104 HD2 PRO 104 2.613 -3.342 -14.797 685 HD3 PRO 104 HD3 PRO 104 1.323 -3.775 -15.701 Start of MODEL 11 1 H1 HIS 1 H1 HIS 1 -2.278 -14.485 -6.588 2 H2 HIS 1 H2 HIS 1 -2.253 -13.319 -7.708 3 H3 HIS 1 H3 HIS 1 -3.606 -13.607 -6.871 4 HA HIS 1 HA HIS 1 -2.577 -12.868 -4.901 5 HB2 HIS 1 HB2 HIS 1 -0.316 -13.508 -5.716 6 HB3 HIS 1 HB3 HIS 1 -0.284 -12.050 -6.451 7 HD1 HIS 1 HD1 HIS 1 -0.235 -9.874 -4.912 8 HD2 HIS 1 HD2 HIS 1 0.428 -13.470 -3.072 9 HE1 HIS 1 HE1 HIS 1 0.735 -9.434 -2.669 10 HE2 HIS 1 HE2 HIS 1 1.138 -11.592 -1.526 11 H THR 2 H THR 2 -3.253 -10.877 -4.206 12 HA THR 2 HA THR 2 -4.323 -9.179 -6.120 13 HB THR 2 HB THR 2 -5.186 -9.269 -3.846 14 HG1 THR 2 HG1 THR 2 -4.493 -6.675 -4.453 15 HG21 THR 2 HG21 THR 2 -4.063 -8.040 -2.117 16 HG22 THR 2 HG22 THR 2 -2.855 -7.686 -3.132 17 HG23 THR 2 HG23 THR 2 -3.081 -9.211 -2.645 18 H GLY 3 H GLY 3 -3.732 -6.969 -6.723 19 HA2 GLY 3 HA2 GLY 3 -1.133 -6.112 -5.897 20 HA3 GLY 3 HA3 GLY 3 -1.299 -6.414 -7.493 21 H SER 4 H SER 4 -1.614 -4.672 -8.715 22 HA SER 4 HA SER 4 -2.726 -2.318 -7.650 23 HB2 SER 4 HB2 SER 4 -2.654 -1.577 -9.999 24 HB3 SER 4 HB3 SER 4 -1.214 -2.140 -9.473 25 HG SER 4 HG SER 4 -2.147 -4.223 -10.337 26 H CYS 5 H CYS 5 -3.999 -5.164 -8.814 27 HA CYS 5 HA CYS 5 -6.625 -4.054 -8.916 28 HB2 CYS 5 HB2 CYS 5 -7.105 -5.250 -10.922 29 HB3 CYS 5 HB3 CYS 5 -6.035 -4.032 -11.122 30 H MET 6 H MET 6 -8.399 -5.682 -9.064 31 HA MET 6 HA MET 6 -7.631 -8.257 -7.981 32 HB2 MET 6 HB2 MET 6 -9.805 -6.579 -7.156 33 HB3 MET 6 HB3 MET 6 -9.868 -8.191 -6.904 34 HG2 MET 6 HG2 MET 6 -7.732 -6.591 -5.897 35 HG3 MET 6 HG3 MET 6 -9.110 -6.800 -5.044 36 HE1 MET 6 HE1 MET 6 -8.005 -9.510 -2.867 37 HE2 MET 6 HE2 MET 6 -9.277 -8.582 -3.235 38 HE3 MET 6 HE3 MET 6 -7.843 -7.902 -2.924 39 H ALA 7 H ALA 7 -8.986 -10.077 -8.754 40 HA ALA 7 HA ALA 7 -10.535 -9.244 -11.006 41 HB1 ALA 7 HB1 ALA 7 -8.442 -10.108 -11.869 42 HB2 ALA 7 HB2 ALA 7 -9.638 -11.091 -12.337 43 HB3 ALA 7 HB3 ALA 7 -8.687 -11.508 -11.097 44 H VAL 8 H VAL 8 -12.200 -10.708 -11.744 45 HA VAL 8 HA VAL 8 -13.154 -12.645 -9.780 46 HB VAL 8 HB VAL 8 -14.856 -10.789 -11.059 47 HG11 VAL 8 HG11 VAL 8 -16.549 -11.636 -9.518 48 HG12 VAL 8 HG12 VAL 8 -15.473 -12.696 -8.939 49 HG13 VAL 8 HG13 VAL 8 -15.998 -12.826 -10.463 50 HG21 VAL 8 HG21 VAL 8 -15.113 -9.713 -8.909 51 HG22 VAL 8 HG22 VAL 8 -13.587 -9.599 -9.433 52 HG23 VAL 8 HG23 VAL 8 -13.974 -10.686 -8.300 53 H TYR 9 H TYR 9 -14.230 -14.502 -10.700 54 HA TYR 9 HA TYR 9 -13.992 -14.589 -13.561 55 HB2 TYR 9 HB2 TYR 9 -12.458 -16.087 -12.478 56 HB3 TYR 9 HB3 TYR 9 -13.696 -16.780 -11.669 57 HD1 TYR 9 HD1 TYR 9 -15.306 -18.261 -12.884 58 HD2 TYR 9 HD2 TYR 9 -11.909 -16.793 -14.735 59 HE1 TYR 9 HE1 TYR 9 -15.533 -19.893 -14.608 60 HE2 TYR 9 HE2 TYR 9 -12.126 -18.442 -16.435 61 HH TYR 9 HH TYR 9 -13.992 -21.114 -16.260 62 H SER 10 H SER 10 -15.718 -15.208 -14.830 63 HA SER 10 HA SER 10 -17.877 -16.478 -13.463 64 HB2 SER 10 HB2 SER 10 -19.514 -14.995 -14.524 65 HB3 SER 10 HB3 SER 10 -18.508 -14.141 -13.561 66 HG SER 10 HG SER 10 -18.077 -14.448 -16.259 67 H VAL 11 H VAL 11 -19.381 -17.711 -14.786 68 HA VAL 11 HA VAL 11 -18.362 -18.303 -17.421 69 HB VAL 11 HB VAL 11 -20.379 -19.744 -15.932 70 HG11 VAL 11 HG11 VAL 11 -20.229 -21.416 -17.657 71 HG12 VAL 11 HG12 VAL 11 -19.187 -20.487 -18.473 72 HG13 VAL 11 HG13 VAL 11 -20.722 -20.013 -18.293 73 HG21 VAL 11 HG21 VAL 11 -18.701 -21.444 -15.661 74 HG22 VAL 11 HG22 VAL 11 -18.200 -20.062 -14.987 75 HG23 VAL 11 HG23 VAL 11 -17.627 -20.511 -16.430 76 H GLU 12 H GLU 12 -19.515 -17.673 -19.281 77 HA GLU 12 HA GLU 12 -21.583 -15.798 -18.802 78 HB2 GLU 12 HB2 GLU 12 -20.000 -15.283 -20.477 79 HB3 GLU 12 HB3 GLU 12 -20.346 -16.667 -21.273 80 HG2 GLU 12 HG2 GLU 12 -22.481 -15.811 -21.837 81 HG3 GLU 12 HG3 GLU 12 -22.141 -14.429 -21.036 82 H ASN 13 H ASN 13 -21.335 -18.489 -21.000 83 HA ASN 13 HA ASN 13 -23.876 -19.498 -20.325 84 HB2 ASN 13 HB2 ASN 13 -24.478 -17.722 -21.851 85 HB3 ASN 13 HB3 ASN 13 -23.605 -18.470 -23.012 86 HD21 ASN 13 HD21 ASN 13 -26.493 -19.974 -24.162 87 HD22 ASN 13 HD22 ASN 13 -25.198 -18.875 -24.501 88 H SER 14 H SER 14 -24.326 -21.593 -21.366 89 HA SER 14 HA SER 14 -22.059 -22.673 -22.779 90 HB2 SER 14 HB2 SER 14 -22.698 -24.799 -21.418 91 HB3 SER 14 HB3 SER 14 -21.616 -23.730 -20.822 92 HG SER 14 HG SER 14 -24.312 -23.577 -20.296 93 H TRP 15 H TRP 15 -22.487 -24.403 -24.260 94 HA TRP 15 HA TRP 15 -25.198 -25.053 -24.755 95 HB2 TRP 15 HB2 TRP 15 -25.186 -24.173 -27.022 96 HB3 TRP 15 HB3 TRP 15 -25.124 -22.985 -25.903 97 HD1 TRP 15 HD1 TRP 15 -23.008 -24.528 -28.533 98 HE1 TRP 15 HE1 TRP 15 -20.981 -23.148 -29.076 99 HE3 TRP 15 HE3 TRP 15 -23.502 -21.200 -24.851 100 HZ2 TRP 15 HZ2 TRP 15 -19.833 -20.834 -27.976 101 HZ3 TRP 15 HZ3 TRP 15 -21.920 -19.406 -24.691 102 HH2 TRP 15 HH2 TRP 15 -20.089 -19.247 -26.224 103 H SER 16 H SER 16 -25.336 -26.467 -26.897 104 HA SER 16 HA SER 16 -23.419 -28.453 -26.658 105 HB2 SER 16 HB2 SER 16 -24.433 -29.180 -28.894 106 HB3 SER 16 HB3 SER 16 -25.405 -29.209 -27.582 107 HG SER 16 HG SER 16 -25.308 -26.870 -28.914 108 H GLY 17 H GLY 17 -21.345 -28.498 -27.316 109 HA2 GLY 17 HA2 GLY 17 -19.928 -28.373 -29.224 110 HA3 GLY 17 HA3 GLY 17 -20.722 -27.036 -29.724 111 H GLY 18 H GLY 18 -20.642 -26.051 -26.827 112 HA2 GLY 18 HA2 GLY 18 -18.111 -25.754 -25.961 113 HA3 GLY 18 HA3 GLY 18 -18.248 -24.607 -27.116 114 H PHE 19 H PHE 19 -17.641 -23.365 -25.002 115 HA PHE 19 HA PHE 19 -20.085 -22.182 -24.189 116 HB2 PHE 19 HB2 PHE 19 -19.741 -22.380 -21.867 117 HB3 PHE 19 HB3 PHE 19 -19.718 -23.878 -22.516 118 HD1 PHE 19 HD1 PHE 19 -17.568 -25.086 -22.749 119 HD2 PHE 19 HD2 PHE 19 -17.840 -21.494 -20.724 120 HE1 PHE 19 HE1 PHE 19 -15.496 -25.546 -21.658 121 HE2 PHE 19 HE2 PHE 19 -15.781 -21.969 -19.609 122 HZ PHE 19 HZ PHE 19 -14.622 -24.004 -20.057 123 H GLN 20 H GLN 20 -19.733 -20.183 -22.793 124 HA GLN 20 HA GLN 20 -17.227 -18.955 -23.518 125 HB2 GLN 20 HB2 GLN 20 -19.795 -18.077 -24.109 126 HB3 GLN 20 HB3 GLN 20 -18.985 -16.933 -23.271 127 HG2 GLN 20 HG2 GLN 20 -17.479 -16.626 -24.912 128 HG3 GLN 20 HG3 GLN 20 -17.780 -18.084 -25.583 129 HE21 GLN 20 HE21 GLN 20 -20.541 -15.186 -26.292 130 HE22 GLN 20 HE22 GLN 20 -19.836 -15.368 -24.720 131 H GLY 21 H GLY 21 -16.321 -17.421 -22.040 132 HA2 GLY 21 HA2 GLY 21 -17.575 -17.323 -19.452 133 HA3 GLY 21 HA3 GLY 21 -16.053 -17.907 -19.543 134 H SER 22 H SER 22 -16.433 -15.743 -17.957 135 HA SER 22 HA SER 22 -15.113 -13.705 -19.449 136 HB2 SER 22 HB2 SER 22 -17.568 -13.216 -17.950 137 HB3 SER 22 HB3 SER 22 -16.632 -11.992 -18.491 138 HG SER 22 HG SER 22 -16.949 -12.932 -20.608 139 H VAL 23 H VAL 23 -13.935 -12.103 -18.224 140 HA VAL 23 HA VAL 23 -13.779 -12.727 -15.428 141 HB VAL 23 HB VAL 23 -11.308 -12.110 -15.592 142 HG11 VAL 23 HG11 VAL 23 -10.705 -14.399 -16.142 143 HG12 VAL 23 HG12 VAL 23 -12.175 -14.637 -16.773 144 HG13 VAL 23 HG13 VAL 23 -12.006 -14.404 -15.182 145 HG21 VAL 23 HG21 VAL 23 -10.267 -12.475 -17.682 146 HG22 VAL 23 HG22 VAL 23 -11.308 -11.242 -17.784 147 HG23 VAL 23 HG23 VAL 23 -11.711 -12.692 -18.376 148 H GLU 24 H GLU 24 -13.923 -10.969 -14.071 149 HA GLU 24 HA GLU 24 -13.925 -8.409 -15.357 150 HB2 GLU 24 HB2 GLU 24 -15.930 -9.061 -14.131 151 HB3 GLU 24 HB3 GLU 24 -15.049 -8.998 -12.758 152 HG2 GLU 24 HG2 GLU 24 -14.679 -6.666 -13.163 153 HG3 GLU 24 HG3 GLU 24 -15.688 -6.765 -14.443 154 H VAL 25 H VAL 25 -12.602 -6.705 -14.676 155 HA VAL 25 HA VAL 25 -10.853 -7.341 -12.488 156 HB VAL 25 HB VAL 25 -10.021 -5.998 -14.934 157 HG11 VAL 25 HG11 VAL 25 -7.812 -5.937 -14.014 158 HG12 VAL 25 HG12 VAL 25 -8.361 -6.577 -12.634 159 HG13 VAL 25 HG13 VAL 25 -8.822 -5.092 -13.076 160 HG21 VAL 25 HG21 VAL 25 -8.649 -7.927 -15.317 161 HG22 VAL 25 HG22 VAL 25 -10.204 -8.364 -15.237 162 HG23 VAL 25 HG23 VAL 25 -9.228 -8.612 -13.972 163 H MET 26 H MET 26 -10.854 -5.854 -10.855 164 HA MET 26 HA MET 26 -11.844 -3.231 -11.525 165 HB2 MET 26 HB2 MET 26 -12.714 -3.076 -9.303 166 HB3 MET 26 HB3 MET 26 -13.366 -4.344 -10.098 167 HG2 MET 26 HG2 MET 26 -12.983 -5.249 -8.186 168 HG3 MET 26 HG3 MET 26 -11.624 -5.647 -8.999 169 HE1 MET 26 HE1 MET 26 -11.929 -2.527 -5.715 170 HE2 MET 26 HE2 MET 26 -13.084 -3.602 -6.070 171 HE3 MET 26 HE3 MET 26 -12.756 -2.399 -7.099 172 H ASN 27 H ASN 27 -10.895 -1.357 -10.561 173 HA ASN 27 HA ASN 27 -8.147 -1.646 -10.113 174 HB2 ASN 27 HB2 ASN 27 -9.222 0.355 -11.035 175 HB3 ASN 27 HB3 ASN 27 -9.671 0.728 -9.510 176 HD21 ASN 27 HD21 ASN 27 -6.642 2.655 -10.228 177 HD22 ASN 27 HD22 ASN 27 -8.281 2.613 -10.786 178 H HIS 28 H HIS 28 -7.050 -2.100 -8.285 179 HA HIS 28 HA HIS 28 -8.546 -2.016 -5.826 180 HB2 HIS 28 HB2 HIS 28 -7.795 -4.195 -6.337 181 HB3 HIS 28 HB3 HIS 28 -6.263 -3.658 -6.512 182 HD1 HIS 28 HD1 HIS 28 -8.786 -3.617 -3.725 183 HD2 HIS 28 HD2 HIS 28 -4.792 -4.258 -4.332 184 HE1 HIS 28 HE1 HIS 28 -7.743 -4.157 -1.537 185 HE2 HIS 28 HE2 HIS 28 -5.321 -4.534 -1.870 186 H GLY 29 H GLY 29 -6.007 -0.610 -7.486 187 HA2 GLY 29 HA2 GLY 29 -4.840 0.536 -5.121 188 HA3 GLY 29 HA3 GLY 29 -4.275 0.702 -6.644 189 H THR 30 H THR 30 -4.144 3.045 -5.925 190 HA THR 30 HA THR 30 -6.706 4.301 -6.340 191 HB THR 30 HB THR 30 -5.729 4.885 -4.203 192 HG1 THR 30 HG1 THR 30 -5.508 7.299 -5.123 193 HG21 THR 30 HG21 THR 30 -3.733 6.211 -4.133 194 HG22 THR 30 HG22 THR 30 -3.595 6.116 -5.742 195 HG23 THR 30 HG23 THR 30 -3.393 4.794 -4.834 196 H GLU 31 H GLU 31 -4.081 3.451 -7.905 197 HA GLU 31 HA GLU 31 -3.850 5.861 -9.475 198 HB2 GLU 31 HB2 GLU 31 -1.978 3.658 -9.287 199 HB3 GLU 31 HB3 GLU 31 -1.714 5.013 -10.160 200 HG2 GLU 31 HG2 GLU 31 -1.814 6.258 -8.087 201 HG3 GLU 31 HG3 GLU 31 -1.828 4.826 -7.301 202 HA PRO 32 HA PRO 32 -5.765 3.845 -12.722 203 HB2 PRO 32 HB2 PRO 32 -4.718 4.941 -14.943 204 HB3 PRO 32 HB3 PRO 32 -5.685 5.843 -13.985 205 HG2 PRO 32 HG2 PRO 32 -2.829 5.763 -13.998 206 HG3 PRO 32 HG3 PRO 32 -3.792 7.083 -13.997 207 HD2 PRO 32 HD2 PRO 32 -2.766 6.259 -11.774 208 HD3 PRO 32 HD3 PRO 32 -4.284 6.861 -11.780 209 H LEU 33 H LEU 33 -5.883 2.081 -13.968 210 HA LEU 33 HA LEU 33 -3.571 0.496 -13.865 211 HB2 LEU 33 HB2 LEU 33 -6.131 -0.065 -15.098 212 HB3 LEU 33 HB3 LEU 33 -4.964 -1.193 -14.910 213 HG LEU 33 HG LEU 33 -6.383 0.046 -12.734 214 HD11 LEU 33 HD11 LEU 33 -7.457 -2.091 -12.478 215 HD12 LEU 33 HD12 LEU 33 -6.677 -2.642 -13.783 216 HD13 LEU 33 HD13 LEU 33 -7.790 -1.479 -13.937 217 HD21 LEU 33 HD21 LEU 33 -5.274 -1.544 -11.336 218 HD22 LEU 33 HD22 LEU 33 -4.187 -0.596 -12.067 219 HD23 LEU 33 HD23 LEU 33 -4.446 -2.097 -12.610 220 H ASN 34 H ASN 34 -1.887 0.756 -15.203 221 HA ASN 34 HA ASN 34 -2.532 1.315 -17.947 222 HB2 ASN 34 HB2 ASN 34 -1.268 3.046 -16.707 223 HB3 ASN 34 HB3 ASN 34 -0.007 2.009 -16.705 224 HD21 ASN 34 HD21 ASN 34 0.617 4.321 -19.443 225 HD22 ASN 34 HD22 ASN 34 0.577 4.366 -17.712 226 H GLY 35 H GLY 35 -2.336 -0.368 -19.319 227 HA2 GLY 35 HA2 GLY 35 -1.172 -1.945 -20.423 228 HA3 GLY 35 HA3 GLY 35 0.183 -1.499 -19.628 229 H TRP 36 H TRP 36 -2.312 -2.398 -17.614 230 HA TRP 36 HA TRP 36 -0.836 -4.439 -16.503 231 HB2 TRP 36 HB2 TRP 36 -2.545 -4.640 -14.959 232 HB3 TRP 36 HB3 TRP 36 -2.637 -3.079 -15.432 233 HD1 TRP 36 HD1 TRP 36 -4.711 -6.053 -15.212 234 HE1 TRP 36 HE1 TRP 36 -7.030 -5.731 -16.121 235 HE3 TRP 36 HE3 TRP 36 -3.901 -1.685 -17.488 236 HZ2 TRP 36 HZ2 TRP 36 -8.264 -3.743 -17.678 237 HZ3 TRP 36 HZ3 TRP 36 -5.692 -0.653 -18.687 238 HH2 TRP 36 HH2 TRP 36 -7.848 -1.679 -18.787 239 H ALA 37 H ALA 37 -1.547 -6.711 -16.064 240 HA ALA 37 HA ALA 37 -2.631 -7.821 -18.499 241 HB1 ALA 37 HB1 ALA 37 -0.279 -8.305 -18.333 242 HB2 ALA 37 HB2 ALA 37 -1.108 -9.687 -18.209 243 HB3 ALA 37 HB3 ALA 37 -0.508 -8.983 -16.883 244 H VAL 38 H VAL 38 -3.862 -9.776 -18.372 245 HA VAL 38 HA VAL 38 -4.855 -10.355 -15.726 246 HB VAL 38 HB VAL 38 -6.529 -10.451 -18.089 247 HG11 VAL 38 HG11 VAL 38 -8.355 -10.643 -16.534 248 HG12 VAL 38 HG12 VAL 38 -7.313 -10.609 -15.299 249 HG13 VAL 38 HG13 VAL 38 -7.318 -11.865 -16.318 250 HG21 VAL 38 HG21 VAL 38 -7.543 -8.408 -17.340 251 HG22 VAL 38 HG22 VAL 38 -5.976 -8.165 -17.656 252 HG23 VAL 38 HG23 VAL 38 -6.478 -8.321 -16.127 253 H GLN 39 H GLN 39 -4.837 -12.560 -15.172 254 HA GLN 39 HA GLN 39 -4.168 -14.303 -17.348 255 HB2 GLN 39 HB2 GLN 39 -3.130 -14.844 -14.714 256 HB3 GLN 39 HB3 GLN 39 -2.507 -15.345 -16.139 257 HG2 GLN 39 HG2 GLN 39 -1.887 -13.004 -16.519 258 HG3 GLN 39 HG3 GLN 39 -2.217 -12.766 -14.937 259 HE21 GLN 39 HE21 GLN 39 0.526 -14.782 -13.766 260 HE22 GLN 39 HE22 GLN 39 -1.156 -14.531 -13.441 261 H TRP 40 H TRP 40 -5.026 -16.390 -17.429 262 HA TRP 40 HA TRP 40 -6.375 -17.381 -15.141 263 HB2 TRP 40 HB2 TRP 40 -8.468 -17.699 -16.114 264 HB3 TRP 40 HB3 TRP 40 -8.092 -16.114 -16.238 265 HD1 TRP 40 HD1 TRP 40 -7.376 -15.268 -18.744 266 HE1 TRP 40 HE1 TRP 40 -8.113 -15.977 -21.038 267 HE3 TRP 40 HE3 TRP 40 -9.250 -19.708 -17.456 268 HZ2 TRP 40 HZ2 TRP 40 -9.391 -18.258 -22.068 269 HZ3 TRP 40 HZ3 TRP 40 -10.224 -21.093 -19.149 270 HH2 TRP 40 HH2 TRP 40 -10.305 -20.363 -21.432 271 H GLN 41 H GLN 41 -7.123 -19.703 -15.487 272 HA GLN 41 HA GLN 41 -5.591 -20.977 -17.565 273 HB2 GLN 41 HB2 GLN 41 -4.348 -20.993 -15.446 274 HB3 GLN 41 HB3 GLN 41 -5.531 -21.937 -14.834 275 HG2 GLN 41 HG2 GLN 41 -4.945 -23.694 -16.191 276 HG3 GLN 41 HG3 GLN 41 -3.959 -22.751 -17.088 277 HE21 GLN 41 HE21 GLN 41 -1.344 -24.228 -15.305 278 HE22 GLN 41 HE22 GLN 41 -2.221 -24.256 -16.798 279 HA PRO 42 HA PRO 42 -9.303 -23.337 -17.756 280 HB2 PRO 42 HB2 PRO 42 -8.574 -25.258 -19.451 281 HB3 PRO 42 HB3 PRO 42 -8.887 -23.764 -20.032 282 HG2 PRO 42 HG2 PRO 42 -6.352 -24.904 -19.410 283 HG3 PRO 42 HG3 PRO 42 -6.774 -24.065 -20.746 284 HD2 PRO 42 HD2 PRO 42 -5.498 -22.890 -18.810 285 HD3 PRO 42 HD3 PRO 42 -6.602 -22.065 -19.686 286 H GLY 43 H GLY 43 -10.206 -25.261 -16.940 287 HA2 GLY 43 HA2 GLY 43 -8.454 -26.415 -14.993 288 HA3 GLY 43 HA3 GLY 43 -10.079 -26.578 -15.043 289 H GLY 44 H GLY 44 -8.991 -28.862 -14.458 290 HA2 GLY 44 HA2 GLY 44 -8.201 -30.359 -16.681 291 HA3 GLY 44 HA3 GLY 44 -8.722 -30.971 -15.259 292 H GLY 45 H GLY 45 -9.344 -31.352 -18.302 293 HA2 GLY 45 HA2 GLY 45 -11.257 -32.380 -19.092 294 HA3 GLY 45 HA3 GLY 45 -12.142 -31.756 -17.869 295 H THR 46 H THR 46 -10.637 -29.139 -18.785 296 HA THR 46 HA THR 46 -12.344 -28.615 -21.036 297 HB THR 46 HB THR 46 -13.229 -27.447 -19.080 298 HG1 THR 46 HG1 THR 46 -13.141 -26.586 -21.408 299 HG21 THR 46 HG21 THR 46 -12.051 -25.555 -18.241 300 HG22 THR 46 HG22 THR 46 -10.813 -25.864 -19.233 301 HG23 THR 46 HG23 THR 46 -11.148 -26.877 -18.018 302 H THR 47 H THR 47 -11.577 -26.848 -22.510 303 HA THR 47 HA THR 47 -8.840 -26.114 -22.159 304 HB THR 47 HB THR 47 -8.646 -28.113 -23.502 305 HG1 THR 47 HG1 THR 47 -7.086 -26.538 -23.730 306 HG21 THR 47 HG21 THR 47 -9.480 -28.090 -25.744 307 HG22 THR 47 HG22 THR 47 -10.133 -26.631 -25.506 308 HG23 THR 47 HG23 THR 47 -10.725 -27.918 -24.727 309 H LEU 48 H LEU 48 -8.215 -24.239 -23.544 310 HA LEU 48 HA LEU 48 -10.566 -22.667 -23.913 311 HB2 LEU 48 HB2 LEU 48 -9.296 -20.795 -23.633 312 HB3 LEU 48 HB3 LEU 48 -8.772 -21.871 -22.522 313 HG LEU 48 HG LEU 48 -6.968 -20.767 -23.126 314 HD11 LEU 48 HD11 LEU 48 -5.495 -22.301 -24.213 315 HD12 LEU 48 HD12 LEU 48 -6.768 -23.194 -24.656 316 HD13 LEU 48 HD13 LEU 48 -6.395 -23.038 -23.090 317 HD21 LEU 48 HD21 LEU 48 -6.290 -20.331 -25.415 318 HD22 LEU 48 HD22 LEU 48 -7.728 -19.662 -25.099 319 HD23 LEU 48 HD23 LEU 48 -7.645 -21.044 -25.935 320 H GLY 49 H GLY 49 -10.936 -21.214 -25.700 321 HA2 GLY 49 HA2 GLY 49 -9.746 -22.244 -28.130 322 HA3 GLY 49 HA3 GLY 49 -11.220 -21.546 -28.047 323 H GLY 50 H GLY 50 -11.190 -19.210 -27.131 324 HA2 GLY 50 HA2 GLY 50 -8.831 -17.816 -27.987 325 HA3 GLY 50 HA3 GLY 50 -10.235 -17.424 -28.723 326 H VAL 51 H VAL 51 -8.658 -15.579 -27.306 327 HA VAL 51 HA VAL 51 -10.579 -14.831 -25.306 328 HB VAL 51 HB VAL 51 -7.728 -14.342 -24.928 329 HG11 VAL 51 HG11 VAL 51 -8.327 -13.676 -22.703 330 HG12 VAL 51 HG12 VAL 51 -9.886 -13.945 -23.036 331 HG13 VAL 51 HG13 VAL 51 -9.095 -12.748 -23.782 332 HG21 VAL 51 HG21 VAL 51 -7.732 -16.059 -23.251 333 HG22 VAL 51 HG22 VAL 51 -8.117 -16.692 -24.688 334 HG23 VAL 51 HG23 VAL 51 -9.274 -16.402 -23.596 335 H TRP 52 H TRP 52 -11.148 -12.530 -25.381 336 HA TRP 52 HA TRP 52 -9.570 -11.025 -27.209 337 HB2 TRP 52 HB2 TRP 52 -11.732 -10.097 -28.130 338 HB3 TRP 52 HB3 TRP 52 -11.278 -11.581 -28.641 339 HD1 TRP 52 HD1 TRP 52 -13.900 -9.942 -26.625 340 HE1 TRP 52 HE1 TRP 52 -15.808 -11.478 -26.063 341 HE3 TRP 52 HE3 TRP 52 -11.832 -14.152 -28.322 342 HZ2 TRP 52 HZ2 TRP 52 -16.259 -14.233 -26.388 343 HZ3 TRP 52 HZ3 TRP 52 -13.079 -16.195 -28.185 344 HH2 TRP 52 HH2 TRP 52 -15.267 -16.227 -27.218 345 H ASN 53 H ASN 53 -8.730 -9.379 -26.207 346 HA ASN 53 HA ASN 53 -10.341 -7.331 -25.506 347 HB2 ASN 53 HB2 ASN 53 -9.882 -7.106 -23.111 348 HB3 ASN 53 HB3 ASN 53 -10.744 -8.455 -23.435 349 HD21 ASN 53 HD21 ASN 53 -7.300 -8.731 -21.521 350 HD22 ASN 53 HD22 ASN 53 -8.145 -7.248 -21.818 351 H GLY 54 H GLY 54 -7.388 -8.534 -26.166 352 HA2 GLY 54 HA2 GLY 54 -6.123 -6.116 -26.480 353 HA3 GLY 54 HA3 GLY 54 -5.682 -6.676 -25.010 354 H SER 55 H SER 55 -3.455 -6.777 -25.851 355 HA SER 55 HA SER 55 -2.967 -8.776 -27.811 356 HB2 SER 55 HB2 SER 55 -1.517 -6.871 -27.749 357 HB3 SER 55 HB3 SER 55 -1.045 -7.268 -26.237 358 HG SER 55 HG SER 55 -0.659 -9.312 -27.811 359 H LEU 56 H LEU 56 -2.551 -10.943 -27.443 360 HA LEU 56 HA LEU 56 -2.360 -11.639 -24.669 361 HB2 LEU 56 HB2 LEU 56 -3.653 -13.607 -25.138 362 HB3 LEU 56 HB3 LEU 56 -4.478 -12.253 -25.532 363 HG LEU 56 HG LEU 56 -3.148 -13.320 -27.729 364 HD11 LEU 56 HD11 LEU 56 -4.524 -15.275 -27.965 365 HD12 LEU 56 HD12 LEU 56 -5.164 -15.006 -26.505 366 HD13 LEU 56 HD13 LEU 56 -3.604 -15.408 -26.642 367 HD21 LEU 56 HD21 LEU 56 -5.278 -13.002 -28.766 368 HD22 LEU 56 HD22 LEU 56 -4.857 -11.670 -27.952 369 HD23 LEU 56 HD23 LEU 56 -5.941 -12.692 -27.324 370 H THR 57 H THR 57 -1.239 -13.464 -23.935 371 HA THR 57 HA THR 57 0.516 -14.681 -25.820 372 HB THR 57 HB THR 57 2.442 -14.354 -24.234 373 HG1 THR 57 HG1 THR 57 1.356 -12.168 -23.163 374 HG21 THR 57 HG21 THR 57 2.937 -12.140 -24.975 375 HG22 THR 57 HG22 THR 57 1.394 -11.917 -25.402 376 HG23 THR 57 HG23 THR 57 2.313 -12.972 -26.213 377 H SER 58 H SER 58 1.531 -16.721 -24.948 378 HA SER 58 HA SER 58 -0.077 -17.857 -22.866 379 HB2 SER 58 HB2 SER 58 1.089 -19.945 -23.534 380 HB3 SER 58 HB3 SER 58 0.218 -19.274 -24.742 381 HG SER 58 HG SER 58 2.936 -19.064 -24.360 382 H GLY 59 H GLY 59 0.867 -18.950 -20.991 383 HA2 GLY 59 HA2 GLY 59 3.446 -17.851 -20.278 384 HA3 GLY 59 HA3 GLY 59 2.309 -18.322 -19.205 385 H SER 60 H SER 60 4.992 -19.224 -19.100 386 HA SER 60 HA SER 60 5.243 -21.658 -20.371 387 HB2 SER 60 HB2 SER 60 7.153 -20.422 -19.460 388 HB3 SER 60 HB3 SER 60 6.671 -20.837 -17.956 389 HG SER 60 HG SER 60 6.830 -23.059 -19.066 390 H ASP 61 H ASP 61 3.541 -20.771 -17.653 391 HA ASP 61 HA ASP 61 3.583 -23.293 -16.391 392 HB2 ASP 61 HB2 ASP 61 1.827 -21.063 -15.766 393 HB3 ASP 61 HB3 ASP 61 2.241 -22.259 -14.733 394 H GLY 62 H GLY 62 2.256 -22.626 -19.127 395 HA2 GLY 62 HA2 GLY 62 0.558 -23.645 -20.235 396 HA3 GLY 62 HA3 GLY 62 0.161 -24.489 -18.894 397 H THR 63 H THR 63 0.423 -21.132 -18.724 398 HA THR 63 HA THR 63 -2.405 -20.897 -18.348 399 HB THR 63 HB THR 63 -1.773 -18.712 -17.257 400 HG1 THR 63 HG1 THR 63 0.781 -19.685 -17.644 401 HG21 THR 63 HG21 THR 63 -0.873 -19.739 -15.280 402 HG22 THR 63 HG22 THR 63 -0.480 -21.061 -16.125 403 HG23 THR 63 HG23 THR 63 -2.035 -20.697 -15.868 404 H VAL 64 H VAL 64 -3.473 -18.804 -19.076 405 HA VAL 64 HA VAL 64 -2.130 -17.749 -21.386 406 HB VAL 64 HB VAL 64 -4.423 -17.343 -22.337 407 HG11 VAL 64 HG11 VAL 64 -4.493 -19.532 -23.329 408 HG12 VAL 64 HG12 VAL 64 -3.465 -20.077 -22.206 409 HG13 VAL 64 HG13 VAL 64 -2.970 -18.990 -23.296 410 HG21 VAL 64 HG21 VAL 64 -6.148 -18.814 -21.592 411 HG22 VAL 64 HG22 VAL 64 -5.707 -17.823 -20.394 412 HG23 VAL 64 HG23 VAL 64 -5.187 -19.354 -20.409 413 H THR 65 H THR 65 -2.140 -15.489 -21.672 414 HA THR 65 HA THR 65 -3.600 -14.023 -19.734 415 HB THR 65 HB THR 65 -1.426 -14.270 -18.689 416 HG1 THR 65 HG1 THR 65 -1.779 -11.671 -19.569 417 HG21 THR 65 HG21 THR 65 0.521 -13.354 -19.714 418 HG22 THR 65 HG22 THR 65 -0.340 -12.921 -21.012 419 HG23 THR 65 HG23 THR 65 -0.094 -14.486 -20.690 420 H VAL 66 H VAL 66 -3.937 -11.754 -20.154 421 HA VAL 66 HA VAL 66 -3.217 -10.984 -22.823 422 HB VAL 66 HB VAL 66 -5.806 -10.241 -21.737 423 HG11 VAL 66 HG11 VAL 66 -6.356 -9.727 -24.015 424 HG12 VAL 66 HG12 VAL 66 -4.880 -10.190 -24.484 425 HG13 VAL 66 HG13 VAL 66 -5.059 -8.875 -23.559 426 HG21 VAL 66 HG21 VAL 66 -6.802 -12.001 -23.012 427 HG22 VAL 66 HG22 VAL 66 -5.797 -12.620 -21.907 428 HG23 VAL 66 HG23 VAL 66 -5.336 -12.520 -23.454 429 H ARG 67 H ARG 67 -2.560 -8.805 -23.071 430 HA ARG 67 HA ARG 67 -2.719 -7.171 -20.712 431 HB2 ARG 67 HB2 ARG 67 -0.419 -6.509 -21.003 432 HB3 ARG 67 HB3 ARG 67 -0.542 -8.108 -20.696 433 HG2 ARG 67 HG2 ARG 67 -0.167 -8.611 -22.947 434 HG3 ARG 67 HG3 ARG 67 -0.177 -7.025 -23.334 435 HD2 ARG 67 HD2 ARG 67 1.810 -6.691 -22.086 436 HD3 ARG 67 HD3 ARG 67 1.807 -8.261 -21.638 437 HE ARG 67 HE ARG 67 1.821 -8.264 -24.373 438 HH11 ARG 67 HH11 ARG 67 3.954 -7.212 -21.783 439 HH12 ARG 67 HH12 ARG 67 5.385 -7.448 -22.730 440 HH21 ARG 67 HH21 ARG 67 3.698 -8.542 -25.568 441 HH22 ARG 67 HH22 ARG 67 5.242 -8.197 -24.863 442 H ASN 68 H ASN 68 -2.031 -4.852 -21.125 443 HA ASN 68 HA ASN 68 -2.382 -3.000 -22.231 444 HB2 ASN 68 HB2 ASN 68 -1.369 -4.557 -24.458 445 HB3 ASN 68 HB3 ASN 68 -1.587 -2.944 -24.593 446 HD21 ASN 68 HD21 ASN 68 1.300 -1.986 -22.926 447 HD22 ASN 68 HD22 ASN 68 -0.176 -1.468 -23.669 448 H VAL 69 H VAL 69 -4.738 -3.606 -21.741 449 HA VAL 69 HA VAL 69 -6.431 -4.057 -23.838 450 HB VAL 69 HB VAL 69 -6.877 -2.671 -21.331 451 HG11 VAL 69 HG11 VAL 69 -9.233 -2.632 -21.765 452 HG12 VAL 69 HG12 VAL 69 -8.975 -3.209 -23.253 453 HG13 VAL 69 HG13 VAL 69 -8.457 -1.729 -22.860 454 HG21 VAL 69 HG21 VAL 69 -8.130 -4.638 -20.764 455 HG22 VAL 69 HG22 VAL 69 -6.624 -5.048 -21.185 456 HG23 VAL 69 HG23 VAL 69 -7.840 -5.251 -22.231 457 H ASP 70 H ASP 70 -6.942 -2.945 -25.643 458 HA ASP 70 HA ASP 70 -6.013 -0.282 -25.808 459 HB2 ASP 70 HB2 ASP 70 -6.451 -0.475 -28.157 460 HB3 ASP 70 HB3 ASP 70 -5.699 -1.838 -27.664 461 H HIS 71 H HIS 71 -8.980 -1.926 -25.547 462 HA HIS 71 HA HIS 71 -10.522 0.260 -26.433 463 HB2 HIS 71 HB2 HIS 71 -12.418 -1.193 -26.049 464 HB3 HIS 71 HB3 HIS 71 -11.280 -1.926 -26.963 465 HD1 HIS 71 HD1 HIS 71 -12.820 -2.037 -23.598 466 HD2 HIS 71 HD2 HIS 71 -10.134 -4.188 -25.819 467 HE1 HIS 71 HE1 HIS 71 -12.375 -4.179 -22.424 468 HE2 HIS 71 HE2 HIS 71 -10.783 -5.513 -23.764 469 H ASN 72 H ASN 72 -8.918 0.641 -24.073 470 HA ASN 72 HA ASN 72 -10.772 0.841 -21.949 471 HB2 ASN 72 HB2 ASN 72 -8.931 1.514 -20.627 472 HB3 ASN 72 HB3 ASN 72 -8.428 0.280 -21.572 473 HD21 ASN 72 HD21 ASN 72 -6.022 3.182 -21.521 474 HD22 ASN 72 HD22 ASN 72 -6.918 2.422 -20.248 475 H ARG 73 H ARG 73 -10.967 2.462 -24.459 476 HA ARG 73 HA ARG 73 -10.647 5.119 -23.553 477 HB2 ARG 73 HB2 ARG 73 -12.068 4.462 -25.963 478 HB3 ARG 73 HB3 ARG 73 -11.164 5.792 -25.682 479 HG2 ARG 73 HG2 ARG 73 -10.094 3.166 -26.125 480 HG3 ARG 73 HG3 ARG 73 -10.117 4.358 -27.240 481 HD2 ARG 73 HD2 ARG 73 -8.577 5.615 -26.005 482 HD3 ARG 73 HD3 ARG 73 -8.653 4.558 -24.762 483 HE ARG 73 HE ARG 73 -7.313 3.057 -25.867 484 HH11 ARG 73 HH11 ARG 73 -5.865 2.518 -27.483 485 HH12 ARG 73 HH12 ARG 73 -5.652 3.561 -28.849 486 HH21 ARG 73 HH21 ARG 73 -8.050 5.871 -27.846 487 HH22 ARG 73 HH22 ARG 73 -6.882 5.452 -29.054 488 H VAL 74 H VAL 74 -13.025 2.761 -23.545 489 HA VAL 74 HA VAL 74 -15.197 4.533 -23.618 490 HB VAL 74 HB VAL 74 -15.296 1.651 -23.104 491 HG11 VAL 74 HG11 VAL 74 -17.579 1.727 -23.787 492 HG12 VAL 74 HG12 VAL 74 -17.479 3.330 -23.974 493 HG13 VAL 74 HG13 VAL 74 -17.354 2.679 -22.499 494 HG21 VAL 74 HG21 VAL 74 -15.734 1.391 -25.468 495 HG22 VAL 74 HG22 VAL 74 -14.294 2.097 -25.257 496 HG23 VAL 74 HG23 VAL 74 -15.578 2.987 -25.676 497 H VAL 75 H VAL 75 -13.604 2.587 -21.242 498 HA VAL 75 HA VAL 75 -15.206 3.823 -19.196 499 HB VAL 75 HB VAL 75 -14.262 1.072 -19.106 500 HG11 VAL 75 HG11 VAL 75 -15.481 0.873 -17.041 501 HG12 VAL 75 HG12 VAL 75 -15.880 2.438 -17.120 502 HG13 VAL 75 HG13 VAL 75 -14.338 2.007 -16.895 503 HG21 VAL 75 HG21 VAL 75 -16.556 0.428 -19.270 504 HG22 VAL 75 HG22 VAL 75 -16.121 1.274 -20.578 505 HG23 VAL 75 HG23 VAL 75 -16.987 1.980 -19.409 506 HA PRO 76 HA PRO 76 -11.126 4.922 -17.880 507 HB2 PRO 76 HB2 PRO 76 -11.774 6.493 -15.823 508 HB3 PRO 76 HB3 PRO 76 -11.891 7.062 -17.349 509 HG2 PRO 76 HG2 PRO 76 -13.957 6.050 -15.692 510 HG3 PRO 76 HG3 PRO 76 -13.991 7.363 -16.663 511 HD2 PRO 76 HD2 PRO 76 -15.065 5.106 -17.415 512 HD3 PRO 76 HD3 PRO 76 -14.412 6.128 -18.508 513 HA PRO 77 HA PRO 77 -10.366 2.042 -14.888 514 HB2 PRO 77 HB2 PRO 77 -7.844 2.569 -14.192 515 HB3 PRO 77 HB3 PRO 77 -8.133 2.171 -15.749 516 HG2 PRO 77 HG2 PRO 77 -7.866 4.777 -14.632 517 HG3 PRO 77 HG3 PRO 77 -7.161 4.189 -15.983 518 HD2 PRO 77 HD2 PRO 77 -9.327 5.657 -16.111 519 HD3 PRO 77 HD3 PRO 77 -9.020 4.507 -17.229 520 H ASP 78 H ASP 78 -11.787 4.298 -13.857 521 HA ASP 78 HA ASP 78 -10.887 4.213 -11.134 522 HB2 ASP 78 HB2 ASP 78 -12.358 6.001 -10.695 523 HB3 ASP 78 HB3 ASP 78 -11.456 6.373 -12.005 524 H GLY 79 H GLY 79 -12.590 2.381 -13.068 525 HA2 GLY 79 HA2 GLY 79 -14.401 1.491 -10.996 526 HA3 GLY 79 HA3 GLY 79 -14.930 1.666 -12.532 527 H SER 80 H SER 80 -15.430 -0.403 -13.119 528 HA SER 80 HA SER 80 -13.197 -2.214 -13.119 529 HB2 SER 80 HB2 SER 80 -14.695 -4.050 -12.702 530 HB3 SER 80 HB3 SER 80 -14.868 -2.944 -11.513 531 HG SER 80 HG SER 80 -16.494 -2.956 -13.724 532 H VAL 81 H VAL 81 -13.071 -3.785 -14.816 533 HA VAL 81 HA VAL 81 -14.726 -3.195 -17.093 534 HB VAL 81 HB VAL 81 -12.740 -3.515 -18.525 535 HG11 VAL 81 HG11 VAL 81 -11.994 -1.235 -18.280 536 HG12 VAL 81 HG12 VAL 81 -12.727 -1.148 -16.841 537 HG13 VAL 81 HG13 VAL 81 -13.607 -1.300 -18.189 538 HG21 VAL 81 HG21 VAL 81 -10.586 -3.181 -17.517 539 HG22 VAL 81 HG22 VAL 81 -11.280 -4.511 -16.914 540 HG23 VAL 81 HG23 VAL 81 -11.272 -3.142 -16.054 541 H THR 82 H THR 82 -15.048 -5.056 -18.566 542 HA THR 82 HA THR 82 -14.197 -7.504 -17.332 543 HB THR 82 HB THR 82 -16.565 -7.212 -16.908 544 HG1 THR 82 HG1 THR 82 -16.331 -9.272 -16.808 545 HG21 THR 82 HG21 THR 82 -18.113 -7.393 -18.720 546 HG22 THR 82 HG22 THR 82 -16.892 -7.461 -19.778 547 HG23 THR 82 HG23 THR 82 -17.176 -6.096 -18.960 548 H PHE 83 H PHE 83 -13.940 -9.378 -18.692 549 HA PHE 83 HA PHE 83 -13.542 -8.741 -21.470 550 HB2 PHE 83 HB2 PHE 83 -11.568 -10.152 -19.889 551 HB3 PHE 83 HB3 PHE 83 -11.388 -9.711 -21.451 552 HD1 PHE 83 HD1 PHE 83 -11.935 -7.036 -21.686 553 HD2 PHE 83 HD2 PHE 83 -10.199 -8.948 -18.459 554 HE1 PHE 83 HE1 PHE 83 -10.989 -4.960 -20.973 555 HE2 PHE 83 HE2 PHE 83 -9.274 -6.874 -17.722 556 HZ PHE 83 HZ PHE 83 -9.643 -4.885 -18.996 557 H GLY 84 H GLY 84 -13.526 -10.606 -22.942 558 HA2 GLY 84 HA2 GLY 84 -14.875 -12.847 -21.705 559 HA3 GLY 84 HA3 GLY 84 -15.349 -12.226 -23.139 560 H PHE 85 H PHE 85 -14.791 -14.936 -22.634 561 HA PHE 85 HA PHE 85 -12.906 -15.360 -24.712 562 HB2 PHE 85 HB2 PHE 85 -11.595 -16.944 -23.484 563 HB3 PHE 85 HB3 PHE 85 -11.497 -15.466 -22.796 564 HD1 PHE 85 HD1 PHE 85 -12.301 -15.069 -20.583 565 HD2 PHE 85 HD2 PHE 85 -12.876 -18.742 -22.389 566 HE1 PHE 85 HE1 PHE 85 -13.005 -15.984 -18.494 567 HE2 PHE 85 HE2 PHE 85 -13.513 -19.681 -20.291 568 HZ PHE 85 HZ PHE 85 -13.596 -18.296 -18.339 569 H THR 86 H THR 86 -12.879 -17.695 -25.463 570 HA THR 86 HA THR 86 -15.303 -19.015 -24.671 571 HB THR 86 HB THR 86 -15.601 -18.278 -26.943 572 HG1 THR 86 HG1 THR 86 -16.750 -19.987 -27.012 573 HG21 THR 86 HG21 THR 86 -14.191 -19.124 -28.692 574 HG22 THR 86 HG22 THR 86 -13.294 -19.920 -27.607 575 HG23 THR 86 HG23 THR 86 -13.275 -18.304 -27.642 576 H ALA 87 H ALA 87 -15.320 -21.369 -24.676 577 HA ALA 87 HA ALA 87 -12.800 -22.661 -24.869 578 HB1 ALA 87 HB1 ALA 87 -12.692 -21.809 -22.609 579 HB2 ALA 87 HB2 ALA 87 -12.808 -23.421 -22.552 580 HB3 ALA 87 HB3 ALA 87 -14.110 -22.506 -22.265 581 H THR 88 H THR 88 -12.976 -25.057 -24.464 582 HA THR 88 HA THR 88 -15.671 -25.954 -24.868 583 HB THR 88 HB THR 88 -14.683 -27.822 -26.255 584 HG1 THR 88 HG1 THR 88 -12.651 -27.922 -26.344 585 HG21 THR 88 HG21 THR 88 -14.571 -26.479 -28.228 586 HG22 THR 88 HG22 THR 88 -14.422 -25.141 -27.332 587 HG23 THR 88 HG23 THR 88 -15.813 -25.966 -27.329 588 H SER 89 H SER 89 -16.101 -28.233 -24.139 589 HA SER 89 HA SER 89 -14.230 -29.170 -22.232 590 HB2 SER 89 HB2 SER 89 -15.538 -27.676 -20.866 591 HB3 SER 89 HB3 SER 89 -16.921 -28.362 -21.399 592 HG SER 89 HG SER 89 -15.945 -28.966 -19.279 593 H THR 90 H THR 90 -14.564 -31.319 -21.423 594 HA THR 90 HA THR 90 -16.425 -32.780 -23.032 595 HB THR 90 HB THR 90 -14.111 -33.532 -23.300 596 HG1 THR 90 HG1 THR 90 -16.134 -35.063 -22.919 597 HG21 THR 90 HG21 THR 90 -12.992 -34.618 -21.487 598 HG22 THR 90 HG22 THR 90 -14.243 -34.314 -20.508 599 HG23 THR 90 HG23 THR 90 -13.329 -33.097 -21.053 600 H GLY 91 H GLY 91 -16.430 -31.444 -20.194 601 HA2 GLY 91 HA2 GLY 91 -18.532 -32.793 -19.172 602 HA3 GLY 91 HA3 GLY 91 -17.233 -33.538 -18.521 603 H ASN 92 H ASN 92 -15.524 -31.398 -18.086 604 HA ASN 92 HA ASN 92 -16.935 -30.136 -15.940 605 HB2 ASN 92 HB2 ASN 92 -14.943 -31.260 -15.264 606 HB3 ASN 92 HB3 ASN 92 -14.067 -30.401 -16.342 607 HD21 ASN 92 HD21 ASN 92 -13.102 -28.210 -13.856 608 HD22 ASN 92 HD22 ASN 92 -12.610 -29.311 -15.099 609 H ASP 93 H ASP 93 -17.697 -28.112 -16.218 610 HA ASP 93 HA ASP 93 -16.083 -26.343 -17.808 611 HB2 ASP 93 HB2 ASP 93 -18.063 -25.150 -18.402 612 HB3 ASP 93 HB3 ASP 93 -18.244 -26.727 -18.788 613 H PHE 94 H PHE 94 -16.589 -27.046 -14.795 614 HA PHE 94 HA PHE 94 -17.125 -24.502 -13.740 615 HB2 PHE 94 HB2 PHE 94 -16.240 -26.920 -12.394 616 HB3 PHE 94 HB3 PHE 94 -16.700 -25.578 -11.585 617 HD1 PHE 94 HD1 PHE 94 -19.060 -24.929 -11.485 618 HD2 PHE 94 HD2 PHE 94 -17.875 -28.434 -13.323 619 HE1 PHE 94 HE1 PHE 94 -21.320 -25.704 -11.461 620 HE2 PHE 94 HE2 PHE 94 -20.133 -29.215 -13.305 621 HZ PHE 94 HZ PHE 94 -21.862 -27.844 -12.376 622 HA PRO 95 HA PRO 95 -12.890 -23.313 -13.310 623 HB2 PRO 95 HB2 PRO 95 -13.009 -21.485 -11.386 624 HB3 PRO 95 HB3 PRO 95 -13.520 -21.094 -12.887 625 HG2 PRO 95 HG2 PRO 95 -15.106 -21.896 -10.652 626 HG3 PRO 95 HG3 PRO 95 -15.392 -20.672 -11.695 627 HD2 PRO 95 HD2 PRO 95 -16.611 -22.967 -11.962 628 HD3 PRO 95 HD3 PRO 95 -16.244 -22.062 -13.272 629 H VAL 96 H VAL 96 -11.138 -23.966 -12.165 630 HA VAL 96 HA VAL 96 -11.854 -25.639 -9.946 631 HB VAL 96 HB VAL 96 -9.443 -25.797 -11.577 632 HG11 VAL 96 HG11 VAL 96 -8.956 -27.848 -10.449 633 HG12 VAL 96 HG12 VAL 96 -10.248 -27.640 -9.499 634 HG13 VAL 96 HG13 VAL 96 -8.992 -26.627 -9.388 635 HG21 VAL 96 HG21 VAL 96 -10.407 -27.799 -12.507 636 HG22 VAL 96 HG22 VAL 96 -11.379 -26.539 -12.795 637 HG23 VAL 96 HG23 VAL 96 -11.735 -27.581 -11.611 638 H ASP 97 H ASP 97 -9.683 -23.170 -10.995 639 HA ASP 97 HA ASP 97 -8.828 -22.761 -8.281 640 HB2 ASP 97 HB2 ASP 97 -7.192 -22.581 -10.675 641 HB3 ASP 97 HB3 ASP 97 -6.659 -22.046 -9.227 642 H SER 98 H SER 98 -8.228 -20.591 -7.618 643 HA SER 98 HA SER 98 -9.836 -18.663 -8.829 644 HB2 SER 98 HB2 SER 98 -7.753 -18.142 -6.863 645 HB3 SER 98 HB3 SER 98 -9.040 -17.178 -7.149 646 HG SER 98 HG SER 98 -10.345 -18.979 -6.467 647 H ILE 99 H ILE 99 -9.224 -16.657 -9.856 648 HA ILE 99 HA ILE 99 -6.697 -16.892 -11.220 649 HB ILE 99 HB ILE 99 -7.686 -15.915 -13.160 650 HG12 ILE 99 HG12 ILE 99 -10.296 -16.051 -12.895 651 HG13 ILE 99 HG13 ILE 99 -9.845 -15.471 -11.436 652 HG21 ILE 99 HG21 ILE 99 -9.080 -17.795 -13.796 653 HG22 ILE 99 HG22 ILE 99 -9.181 -18.243 -12.246 654 HG23 ILE 99 HG23 ILE 99 -7.764 -18.324 -13.020 655 HD11 ILE 99 HD11 ILE 99 -10.367 -13.679 -12.902 656 HD12 ILE 99 HD12 ILE 99 -9.247 -14.190 -13.950 657 HD13 ILE 99 HD13 ILE 99 -8.801 -13.616 -12.505 658 H GLY 100 H GLY 100 -5.802 -14.728 -12.088 659 HA2 GLY 100 HA2 GLY 100 -6.646 -12.507 -10.516 660 HA3 GLY 100 HA3 GLY 100 -5.168 -13.092 -10.140 661 H CYS 101 H CYS 101 -5.385 -10.507 -10.826 662 HA CYS 101 HA CYS 101 -4.295 -10.404 -13.503 663 HB2 CYS 101 HB2 CYS 101 -4.907 -8.138 -13.519 664 HB3 CYS 101 HB3 CYS 101 -6.184 -9.149 -13.400 665 H VAL 102 H VAL 102 -2.468 -8.922 -13.873 666 HA VAL 102 HA VAL 102 -0.982 -8.402 -11.503 667 HB VAL 102 HB VAL 102 1.046 -9.399 -12.461 668 HG11 VAL 102 HG11 VAL 102 0.459 -11.683 -12.010 669 HG12 VAL 102 HG12 VAL 102 -1.110 -11.298 -12.084 670 HG13 VAL 102 HG13 VAL 102 -0.190 -10.713 -10.890 671 HG21 VAL 102 HG21 VAL 102 0.830 -10.863 -14.361 672 HG22 VAL 102 HG22 VAL 102 0.418 -9.357 -14.779 673 HG23 VAL 102 HG23 VAL 102 -0.730 -10.461 -14.500 674 H ALA 103 H ALA 103 1.025 -7.000 -11.935 675 HA ALA 103 HA ALA 103 0.702 -5.458 -14.380 676 HB1 ALA 103 HB1 ALA 103 0.229 -4.065 -12.519 677 HB2 ALA 103 HB2 ALA 103 1.620 -3.578 -13.186 678 HB3 ALA 103 HB3 ALA 103 1.638 -4.460 -11.831 679 HA PRO 104 HA PRO 104 4.796 -6.911 -15.039 680 HB2 PRO 104 HB2 PRO 104 5.646 -5.382 -17.027 681 HB3 PRO 104 HB3 PRO 104 4.446 -6.449 -17.329 682 HG2 PRO 104 HG2 PRO 104 4.205 -3.665 -16.748 683 HG3 PRO 104 HG3 PRO 104 3.465 -4.506 -17.937 684 HD2 PRO 104 HD2 PRO 104 2.216 -3.978 -15.694 685 HD3 PRO 104 HD3 PRO 104 1.896 -5.349 -16.522 Start of MODEL 12 1 H1 HIS 1 H1 HIS 1 2.494 -7.939 0.365 2 H2 HIS 1 H2 HIS 1 2.536 -6.478 -0.326 3 H3 HIS 1 H3 HIS 1 1.683 -7.670 -1.007 4 HA HIS 1 HA HIS 1 0.210 -7.684 0.802 5 HB2 HIS 1 HB2 HIS 1 2.050 -5.777 1.873 6 HB3 HIS 1 HB3 HIS 1 0.481 -5.589 2.283 7 HD1 HIS 1 HD1 HIS 1 3.468 -7.320 3.272 8 HD2 HIS 1 HD2 HIS 1 -0.560 -7.875 3.750 9 HE1 HIS 1 HE1 HIS 1 3.120 -8.969 5.095 10 HE2 HIS 1 HE2 HIS 1 0.691 -9.336 5.400 11 H THR 2 H THR 2 -1.665 -7.048 -0.096 12 HA THR 2 HA THR 2 -2.971 -5.909 -1.456 13 HB THR 2 HB THR 2 -3.314 -3.532 -0.950 14 HG1 THR 2 HG1 THR 2 -0.872 -3.835 0.144 15 HG21 THR 2 HG21 THR 2 -3.890 -3.862 1.373 16 HG22 THR 2 HG22 THR 2 -2.961 -5.185 1.428 17 HG23 THR 2 HG23 THR 2 -4.316 -5.184 0.545 18 H GLY 3 H GLY 3 -2.676 -3.169 -2.538 19 HA2 GLY 3 HA2 GLY 3 -1.445 -2.101 -4.135 20 HA3 GLY 3 HA3 GLY 3 -0.328 -3.293 -4.123 21 H SER 4 H SER 4 -1.573 -5.524 -4.852 22 HA SER 4 HA SER 4 -1.802 -5.162 -7.568 23 HB2 SER 4 HB2 SER 4 -1.131 -7.288 -6.523 24 HB3 SER 4 HB3 SER 4 -2.692 -7.534 -6.110 25 HG SER 4 HG SER 4 -2.306 -8.661 -7.931 26 H CYS 5 H CYS 5 -3.514 -5.544 -9.067 27 HA CYS 5 HA CYS 5 -6.005 -4.567 -8.280 28 HB2 CYS 5 HB2 CYS 5 -6.683 -5.119 -10.463 29 HB3 CYS 5 HB3 CYS 5 -5.292 -4.264 -10.438 30 H MET 6 H MET 6 -8.090 -5.868 -8.965 31 HA MET 6 HA MET 6 -7.825 -8.599 -8.067 32 HB2 MET 6 HB2 MET 6 -9.831 -6.731 -7.175 33 HB3 MET 6 HB3 MET 6 -9.973 -8.339 -6.931 34 HG2 MET 6 HG2 MET 6 -8.069 -8.346 -5.638 35 HG3 MET 6 HG3 MET 6 -7.832 -6.758 -5.940 36 HE1 MET 6 HE1 MET 6 -8.849 -7.188 -2.095 37 HE2 MET 6 HE2 MET 6 -7.598 -6.813 -3.048 38 HE3 MET 6 HE3 MET 6 -8.137 -8.336 -2.984 39 H ALA 7 H ALA 7 -9.358 -10.118 -8.974 40 HA ALA 7 HA ALA 7 -10.897 -9.093 -11.150 41 HB1 ALA 7 HB1 ALA 7 -8.794 -9.734 -12.151 42 HB2 ALA 7 HB2 ALA 7 -9.962 -10.709 -12.701 43 HB3 ALA 7 HB3 ALA 7 -8.953 -11.226 -11.548 44 H VAL 8 H VAL 8 -12.496 -10.557 -12.057 45 HA VAL 8 HA VAL 8 -13.184 -12.716 -10.285 46 HB VAL 8 HB VAL 8 -15.139 -10.833 -11.338 47 HG11 VAL 8 HG11 VAL 8 -16.757 -11.975 -9.983 48 HG12 VAL 8 HG12 VAL 8 -15.626 -13.031 -9.514 49 HG13 VAL 8 HG13 VAL 8 -16.112 -12.999 -11.056 50 HG21 VAL 8 HG21 VAL 8 -15.422 -10.056 -9.082 51 HG22 VAL 8 HG22 VAL 8 -13.899 -9.809 -9.565 52 HG23 VAL 8 HG23 VAL 8 -14.246 -11.050 -8.588 53 H TYR 9 H TYR 9 -14.054 -14.592 -11.320 54 HA TYR 9 HA TYR 9 -14.298 -14.354 -14.177 55 HB2 TYR 9 HB2 TYR 9 -12.320 -15.531 -13.895 56 HB3 TYR 9 HB3 TYR 9 -12.947 -16.423 -12.679 57 HD1 TYR 9 HD1 TYR 9 -13.345 -18.662 -13.168 58 HD2 TYR 9 HD2 TYR 9 -13.673 -15.885 -16.215 59 HE1 TYR 9 HE1 TYR 9 -13.874 -20.411 -14.702 60 HE2 TYR 9 HE2 TYR 9 -14.229 -17.636 -17.743 61 HH TYR 9 HH TYR 9 -14.409 -21.005 -16.764 62 H SER 10 H SER 10 -16.111 -15.086 -15.131 63 HA SER 10 HA SER 10 -17.712 -16.965 -13.671 64 HB2 SER 10 HB2 SER 10 -19.719 -15.631 -14.287 65 HB3 SER 10 HB3 SER 10 -18.763 -14.895 -13.187 66 HG SER 10 HG SER 10 -18.645 -14.421 -15.897 67 H VAL 11 H VAL 11 -19.143 -18.338 -14.931 68 HA VAL 11 HA VAL 11 -18.399 -18.578 -17.638 69 HB VAL 11 HB VAL 11 -20.538 -19.945 -16.241 70 HG11 VAL 11 HG11 VAL 11 -20.627 -21.452 -18.106 71 HG12 VAL 11 HG12 VAL 11 -19.526 -20.561 -18.886 72 HG13 VAL 11 HG13 VAL 11 -20.995 -19.953 -18.591 73 HG21 VAL 11 HG21 VAL 11 -19.036 -21.818 -16.188 74 HG22 VAL 11 HG22 VAL 11 -18.375 -20.559 -15.417 75 HG23 VAL 11 HG23 VAL 11 -17.897 -20.931 -16.917 76 H GLU 12 H GLU 12 -19.318 -17.542 -19.390 77 HA GLU 12 HA GLU 12 -21.294 -15.614 -18.799 78 HB2 GLU 12 HB2 GLU 12 -19.389 -15.181 -20.274 79 HB3 GLU 12 HB3 GLU 12 -20.076 -16.173 -21.374 80 HG2 GLU 12 HG2 GLU 12 -20.810 -14.287 -22.208 81 HG3 GLU 12 HG3 GLU 12 -21.992 -14.489 -21.100 82 H ASN 13 H ASN 13 -20.999 -18.235 -21.071 83 HA ASN 13 HA ASN 13 -23.757 -18.847 -20.952 84 HB2 ASN 13 HB2 ASN 13 -23.639 -17.005 -22.577 85 HB3 ASN 13 HB3 ASN 13 -22.773 -18.004 -23.536 86 HD21 ASN 13 HD21 ASN 13 -26.770 -18.442 -23.187 87 HD22 ASN 13 HD22 ASN 13 -25.866 -17.411 -22.129 88 H SER 14 H SER 14 -24.265 -20.908 -22.051 89 HA SER 14 HA SER 14 -21.958 -22.270 -23.050 90 HB2 SER 14 HB2 SER 14 -22.474 -24.244 -21.690 91 HB3 SER 14 HB3 SER 14 -22.102 -22.966 -20.743 92 HG SER 14 HG SER 14 -24.707 -23.435 -21.417 93 H TRP 15 H TRP 15 -22.325 -23.944 -24.555 94 HA TRP 15 HA TRP 15 -25.039 -24.503 -25.257 95 HB2 TRP 15 HB2 TRP 15 -24.680 -23.905 -27.569 96 HB3 TRP 15 HB3 TRP 15 -24.608 -22.600 -26.590 97 HD1 TRP 15 HD1 TRP 15 -22.429 -24.632 -28.790 98 HE1 TRP 15 HE1 TRP 15 -20.204 -23.553 -29.225 99 HE3 TRP 15 HE3 TRP 15 -22.917 -20.855 -25.563 100 HZ2 TRP 15 HZ2 TRP 15 -18.876 -21.308 -28.181 101 HZ3 TRP 15 HZ3 TRP 15 -21.133 -19.266 -25.359 102 HH2 TRP 15 HH2 TRP 15 -19.133 -19.500 -26.655 103 H SER 16 H SER 16 -25.010 -26.149 -27.246 104 HA SER 16 HA SER 16 -23.354 -28.245 -26.503 105 HB2 SER 16 HB2 SER 16 -24.125 -29.118 -28.798 106 HB3 SER 16 HB3 SER 16 -25.235 -28.972 -27.609 107 HG SER 16 HG SER 16 -25.486 -27.963 -29.848 108 H GLY 17 H GLY 17 -21.228 -28.505 -26.791 109 HA2 GLY 17 HA2 GLY 17 -19.513 -28.813 -28.357 110 HA3 GLY 17 HA3 GLY 17 -20.152 -27.656 -29.317 111 H GLY 18 H GLY 18 -20.343 -26.099 -26.569 112 HA2 GLY 18 HA2 GLY 18 -17.798 -25.582 -25.762 113 HA3 GLY 18 HA3 GLY 18 -18.047 -24.588 -27.034 114 H PHE 19 H PHE 19 -17.456 -23.151 -24.998 115 HA PHE 19 HA PHE 19 -19.910 -21.959 -24.256 116 HB2 PHE 19 HB2 PHE 19 -19.689 -22.133 -21.935 117 HB3 PHE 19 HB3 PHE 19 -19.561 -23.645 -22.539 118 HD1 PHE 19 HD1 PHE 19 -17.284 -24.695 -22.714 119 HD2 PHE 19 HD2 PHE 19 -17.969 -21.197 -20.627 120 HE1 PHE 19 HE1 PHE 19 -15.253 -25.022 -21.505 121 HE2 PHE 19 HE2 PHE 19 -15.930 -21.509 -19.421 122 HZ PHE 19 HZ PHE 19 -14.583 -23.440 -19.837 123 H GLN 20 H GLN 20 -19.505 -19.977 -22.747 124 HA GLN 20 HA GLN 20 -17.015 -18.751 -23.525 125 HB2 GLN 20 HB2 GLN 20 -19.593 -17.822 -24.022 126 HB3 GLN 20 HB3 GLN 20 -18.710 -16.701 -23.228 127 HG2 GLN 20 HG2 GLN 20 -17.211 -16.528 -24.925 128 HG3 GLN 20 HG3 GLN 20 -17.715 -17.920 -25.614 129 HE21 GLN 20 HE21 GLN 20 -19.631 -16.222 -27.922 130 HE22 GLN 20 HE22 GLN 20 -18.481 -17.477 -27.606 131 H GLY 21 H GLY 21 -16.076 -17.229 -22.040 132 HA2 GLY 21 HA2 GLY 21 -17.273 -17.261 -19.409 133 HA3 GLY 21 HA3 GLY 21 -15.691 -17.626 -19.590 134 H SER 22 H SER 22 -17.174 -15.388 -18.222 135 HA SER 22 HA SER 22 -15.988 -13.156 -19.598 136 HB2 SER 22 HB2 SER 22 -17.577 -12.056 -17.764 137 HB3 SER 22 HB3 SER 22 -18.082 -12.377 -19.284 138 HG SER 22 HG SER 22 -19.475 -13.226 -17.751 139 H VAL 23 H VAL 23 -14.689 -11.619 -18.514 140 HA VAL 23 HA VAL 23 -13.892 -12.399 -15.884 141 HB VAL 23 HB VAL 23 -11.631 -11.407 -17.147 142 HG11 VAL 23 HG11 VAL 23 -10.642 -13.449 -16.368 143 HG12 VAL 23 HG12 VAL 23 -12.111 -14.037 -16.035 144 HG13 VAL 23 HG13 VAL 23 -11.533 -12.783 -15.195 145 HG21 VAL 23 HG21 VAL 23 -11.240 -13.122 -18.776 146 HG22 VAL 23 HG22 VAL 23 -12.541 -12.255 -19.190 147 HG23 VAL 23 HG23 VAL 23 -12.723 -13.714 -18.517 148 H GLU 24 H GLU 24 -14.233 -10.738 -14.499 149 HA GLU 24 HA GLU 24 -14.146 -8.075 -15.577 150 HB2 GLU 24 HB2 GLU 24 -16.114 -8.662 -14.356 151 HB3 GLU 24 HB3 GLU 24 -15.203 -8.914 -13.025 152 HG2 GLU 24 HG2 GLU 24 -14.655 -6.633 -12.938 153 HG3 GLU 24 HG3 GLU 24 -15.491 -6.362 -14.315 154 H VAL 25 H VAL 25 -12.747 -6.468 -14.818 155 HA VAL 25 HA VAL 25 -10.855 -7.319 -12.828 156 HB VAL 25 HB VAL 25 -10.175 -5.812 -15.219 157 HG11 VAL 25 HG11 VAL 25 -7.901 -5.868 -14.474 158 HG12 VAL 25 HG12 VAL 25 -8.361 -6.597 -13.106 159 HG13 VAL 25 HG13 VAL 25 -8.815 -5.074 -13.402 160 HG21 VAL 25 HG21 VAL 25 -8.875 -7.735 -15.838 161 HG22 VAL 25 HG22 VAL 25 -10.429 -8.150 -15.675 162 HG23 VAL 25 HG23 VAL 25 -9.371 -8.504 -14.505 163 H MET 26 H MET 26 -10.784 -5.961 -11.073 164 HA MET 26 HA MET 26 -11.686 -3.268 -11.537 165 HB2 MET 26 HB2 MET 26 -12.448 -3.197 -9.280 166 HB3 MET 26 HB3 MET 26 -13.150 -4.439 -10.074 167 HG2 MET 26 HG2 MET 26 -11.670 -5.922 -9.105 168 HG3 MET 26 HG3 MET 26 -10.914 -4.690 -8.344 169 HE1 MET 26 HE1 MET 26 -13.389 -3.502 -5.677 170 HE2 MET 26 HE2 MET 26 -13.041 -2.847 -7.115 171 HE3 MET 26 HE3 MET 26 -11.853 -3.418 -6.177 172 H ASN 27 H ASN 27 -10.581 -1.482 -10.716 173 HA ASN 27 HA ASN 27 -7.855 -1.976 -10.177 174 HB2 ASN 27 HB2 ASN 27 -9.380 0.420 -10.542 175 HB3 ASN 27 HB3 ASN 27 -7.877 0.542 -9.914 176 HD21 ASN 27 HD21 ASN 27 -8.406 0.070 -13.838 177 HD22 ASN 27 HD22 ASN 27 -9.712 0.229 -12.712 178 H HIS 28 H HIS 28 -7.554 -2.966 -8.194 179 HA HIS 28 HA HIS 28 -8.837 -1.867 -5.923 180 HB2 HIS 28 HB2 HIS 28 -8.461 -4.219 -6.028 181 HB3 HIS 28 HB3 HIS 28 -6.848 -3.965 -6.041 182 HD1 HIS 28 HD1 HIS 28 -9.704 -3.141 -3.738 183 HD2 HIS 28 HD2 HIS 28 -5.773 -4.269 -3.578 184 HE1 HIS 28 HE1 HIS 28 -9.053 -3.358 -1.351 185 HE2 HIS 28 HE2 HIS 28 -6.683 -4.059 -1.222 186 H GLY 29 H GLY 29 -6.020 -1.276 -7.608 187 HA2 GLY 29 HA2 GLY 29 -4.614 -0.062 -5.460 188 HA3 GLY 29 HA3 GLY 29 -4.208 0.007 -7.041 189 H THR 30 H THR 30 -4.047 2.287 -5.424 190 HA THR 30 HA THR 30 -6.387 3.781 -5.925 191 HB THR 30 HB THR 30 -5.110 4.209 -3.894 192 HG1 THR 30 HG1 THR 30 -4.914 6.649 -4.711 193 HG21 THR 30 HG21 THR 30 -3.067 5.460 -4.042 194 HG22 THR 30 HG22 THR 30 -3.149 5.435 -5.656 195 HG23 THR 30 HG23 THR 30 -2.879 4.066 -4.839 196 H GLU 31 H GLU 31 -4.007 2.838 -7.808 197 HA GLU 31 HA GLU 31 -4.121 5.185 -9.482 198 HB2 GLU 31 HB2 GLU 31 -1.895 3.336 -9.381 199 HB3 GLU 31 HB3 GLU 31 -1.921 4.735 -10.223 200 HG2 GLU 31 HG2 GLU 31 -2.072 5.897 -8.105 201 HG3 GLU 31 HG3 GLU 31 -1.791 4.464 -7.372 202 HA PRO 32 HA PRO 32 -5.679 2.333 -12.425 203 HB2 PRO 32 HB2 PRO 32 -5.704 3.814 -14.634 204 HB3 PRO 32 HB3 PRO 32 -6.753 4.183 -13.439 205 HG2 PRO 32 HG2 PRO 32 -4.250 5.409 -14.015 206 HG3 PRO 32 HG3 PRO 32 -5.662 6.136 -13.633 207 HD2 PRO 32 HD2 PRO 32 -3.778 5.752 -11.839 208 HD3 PRO 32 HD3 PRO 32 -5.355 5.822 -11.421 209 H LEU 33 H LEU 33 -4.364 0.631 -12.566 210 HA LEU 33 HA LEU 33 -1.825 1.010 -13.667 211 HB2 LEU 33 HB2 LEU 33 -3.169 -1.162 -12.481 212 HB3 LEU 33 HB3 LEU 33 -2.048 -1.613 -13.580 213 HG LEU 33 HG LEU 33 -1.167 -1.691 -11.404 214 HD11 LEU 33 HD11 LEU 33 0.841 -0.418 -11.795 215 HD12 LEU 33 HD12 LEU 33 0.095 0.390 -12.980 216 HD13 LEU 33 HD13 LEU 33 0.394 -1.190 -13.144 217 HD21 LEU 33 HD21 LEU 33 -0.852 0.297 -10.111 218 HD22 LEU 33 HD22 LEU 33 -2.427 0.017 -10.346 219 HD23 LEU 33 HD23 LEU 33 -1.667 1.147 -11.219 220 H ASN 34 H ASN 34 -1.655 1.573 -15.753 221 HA ASN 34 HA ASN 34 -3.204 0.331 -17.732 222 HB2 ASN 34 HB2 ASN 34 -2.353 2.573 -17.995 223 HB3 ASN 34 HB3 ASN 34 -0.836 1.972 -18.075 224 HD21 ASN 34 HD21 ASN 34 -1.096 2.207 -21.525 225 HD22 ASN 34 HD22 ASN 34 -0.362 2.859 -20.098 226 H GLY 35 H GLY 35 -2.691 -1.322 -19.201 227 HA2 GLY 35 HA2 GLY 35 -1.267 -2.828 -20.164 228 HA3 GLY 35 HA3 GLY 35 -0.020 -2.276 -19.264 229 H TRP 36 H TRP 36 -2.719 -3.002 -17.449 230 HA TRP 36 HA TRP 36 -1.538 -5.042 -16.049 231 HB2 TRP 36 HB2 TRP 36 -3.472 -5.135 -14.840 232 HB3 TRP 36 HB3 TRP 36 -3.560 -3.633 -15.473 233 HD1 TRP 36 HD1 TRP 36 -5.340 -6.832 -15.522 234 HE1 TRP 36 HE1 TRP 36 -7.452 -6.787 -16.880 235 HE3 TRP 36 HE3 TRP 36 -4.638 -2.363 -17.636 236 HZ2 TRP 36 HZ2 TRP 36 -8.611 -4.931 -18.635 237 HZ3 TRP 36 HZ3 TRP 36 -6.286 -1.534 -19.168 238 HH2 TRP 36 HH2 TRP 36 -8.250 -2.815 -19.667 239 H ALA 37 H ALA 37 -2.272 -7.325 -15.787 240 HA ALA 37 HA ALA 37 -3.271 -8.432 -18.238 241 HB1 ALA 37 HB1 ALA 37 -0.878 -8.674 -18.339 242 HB2 ALA 37 HB2 ALA 37 -1.552 -10.138 -18.216 243 HB3 ALA 37 HB3 ALA 37 -0.885 -9.444 -16.917 244 H VAL 38 H VAL 38 -4.328 -10.476 -18.104 245 HA VAL 38 HA VAL 38 -4.844 -11.357 -15.404 246 HB VAL 38 HB VAL 38 -6.774 -11.547 -17.570 247 HG11 VAL 38 HG11 VAL 38 -8.328 -12.243 -15.890 248 HG12 VAL 38 HG12 VAL 38 -7.163 -12.167 -14.771 249 HG13 VAL 38 HG13 VAL 38 -7.082 -13.271 -15.949 250 HG21 VAL 38 HG21 VAL 38 -8.005 -9.818 -16.477 251 HG22 VAL 38 HG22 VAL 38 -6.551 -9.267 -16.920 252 HG23 VAL 38 HG23 VAL 38 -6.829 -9.666 -15.378 253 H GLN 39 H GLN 39 -4.241 -13.527 -15.050 254 HA GLN 39 HA GLN 39 -3.744 -15.032 -17.439 255 HB2 GLN 39 HB2 GLN 39 -1.928 -15.918 -15.620 256 HB3 GLN 39 HB3 GLN 39 -1.597 -15.105 -16.997 257 HG2 GLN 39 HG2 GLN 39 -0.551 -14.020 -15.234 258 HG3 GLN 39 HG3 GLN 39 -1.749 -13.058 -15.787 259 HE21 GLN 39 HE21 GLN 39 -2.313 -14.906 -12.204 260 HE22 GLN 39 HE22 GLN 39 -1.423 -15.684 -13.470 261 H TRP 40 H TRP 40 -4.127 -17.285 -17.437 262 HA TRP 40 HA TRP 40 -4.790 -18.493 -14.986 263 HB2 TRP 40 HB2 TRP 40 -7.010 -19.115 -15.507 264 HB3 TRP 40 HB3 TRP 40 -6.898 -17.493 -15.662 265 HD1 TRP 40 HD1 TRP 40 -7.507 -20.512 -17.696 266 HE1 TRP 40 HE1 TRP 40 -8.372 -19.967 -19.987 267 HE3 TRP 40 HE3 TRP 40 -6.823 -15.572 -17.473 268 HZ2 TRP 40 HZ2 TRP 40 -8.709 -17.588 -21.445 269 HZ3 TRP 40 HZ3 TRP 40 -7.438 -14.230 -19.362 270 HH2 TRP 40 HH2 TRP 40 -8.385 -15.235 -21.321 271 H GLN 41 H GLN 41 -5.686 -20.843 -15.395 272 HA GLN 41 HA GLN 41 -4.087 -22.007 -17.502 273 HB2 GLN 41 HB2 GLN 41 -4.410 -23.030 -14.818 274 HB3 GLN 41 HB3 GLN 41 -3.641 -23.850 -16.003 275 HG2 GLN 41 HG2 GLN 41 -1.923 -22.965 -14.852 276 HG3 GLN 41 HG3 GLN 41 -2.106 -21.889 -16.067 277 HE21 GLN 41 HE21 GLN 41 -3.399 -20.800 -12.369 278 HE22 GLN 41 HE22 GLN 41 -3.546 -22.438 -12.912 279 HA PRO 42 HA PRO 42 -7.785 -24.215 -18.405 280 HB2 PRO 42 HB2 PRO 42 -6.957 -26.629 -19.209 281 HB3 PRO 42 HB3 PRO 42 -6.754 -25.344 -20.196 282 HG2 PRO 42 HG2 PRO 42 -4.848 -26.507 -18.428 283 HG3 PRO 42 HG3 PRO 42 -4.632 -26.067 -19.986 284 HD2 PRO 42 HD2 PRO 42 -3.837 -24.500 -18.084 285 HD3 PRO 42 HD3 PRO 42 -4.448 -23.862 -19.457 286 H GLY 43 H GLY 43 -9.280 -25.820 -17.685 287 HA2 GLY 43 HA2 GLY 43 -8.585 -26.554 -14.983 288 HA3 GLY 43 HA3 GLY 43 -10.104 -26.289 -15.523 289 H GLY 44 H GLY 44 -10.291 -28.415 -14.219 290 HA2 GLY 44 HA2 GLY 44 -9.306 -30.709 -15.500 291 HA3 GLY 44 HA3 GLY 44 -10.380 -30.679 -14.271 292 H GLY 45 H GLY 45 -9.957 -30.739 -17.661 293 HA2 GLY 45 HA2 GLY 45 -11.482 -31.791 -19.071 294 HA3 GLY 45 HA3 GLY 45 -12.689 -31.559 -17.995 295 H THR 46 H THR 46 -10.975 -28.779 -18.225 296 HA THR 46 HA THR 46 -12.587 -27.790 -20.374 297 HB THR 46 HB THR 46 -12.252 -25.601 -18.787 298 HG1 THR 46 HG1 THR 46 -12.400 -26.131 -16.765 299 HG21 THR 46 HG21 THR 46 -14.583 -25.822 -18.324 300 HG22 THR 46 HG22 THR 46 -14.547 -27.373 -18.780 301 HG23 THR 46 HG23 THR 46 -14.331 -26.203 -19.875 302 H THR 47 H THR 47 -11.634 -26.348 -21.879 303 HA THR 47 HA THR 47 -9.129 -25.240 -21.137 304 HB THR 47 HB THR 47 -8.517 -27.335 -22.258 305 HG1 THR 47 HG1 THR 47 -6.805 -26.485 -23.177 306 HG21 THR 47 HG21 THR 47 -8.793 -27.477 -24.631 307 HG22 THR 47 HG22 THR 47 -9.578 -26.063 -24.642 308 HG23 THR 47 HG23 THR 47 -10.252 -27.357 -23.945 309 H LEU 48 H LEU 48 -8.388 -23.449 -22.527 310 HA LEU 48 HA LEU 48 -10.716 -22.150 -23.540 311 HB2 LEU 48 HB2 LEU 48 -9.684 -20.118 -23.130 312 HB3 LEU 48 HB3 LEU 48 -9.480 -21.058 -21.810 313 HG LEU 48 HG LEU 48 -7.614 -19.895 -21.958 314 HD11 LEU 48 HD11 LEU 48 -5.833 -21.435 -22.416 315 HD12 LEU 48 HD12 LEU 48 -6.889 -22.428 -23.133 316 HD13 LEU 48 HD13 LEU 48 -7.005 -22.133 -21.548 317 HD21 LEU 48 HD21 LEU 48 -6.307 -19.590 -23.969 318 HD22 LEU 48 HD22 LEU 48 -7.798 -18.991 -24.148 319 HD23 LEU 48 HD23 LEU 48 -7.417 -20.421 -24.800 320 H GLY 49 H GLY 49 -10.608 -20.643 -25.399 321 HA2 GLY 49 HA2 GLY 49 -8.680 -21.579 -27.342 322 HA3 GLY 49 HA3 GLY 49 -10.248 -21.354 -27.737 323 H GLY 50 H GLY 50 -11.031 -19.353 -28.326 324 HA2 GLY 50 HA2 GLY 50 -9.001 -17.383 -28.712 325 HA3 GLY 50 HA3 GLY 50 -10.501 -17.362 -29.358 326 H VAL 51 H VAL 51 -9.325 -15.081 -28.314 327 HA VAL 51 HA VAL 51 -10.972 -14.620 -25.986 328 HB VAL 51 HB VAL 51 -8.387 -13.389 -26.493 329 HG11 VAL 51 HG11 VAL 51 -8.618 -12.309 -24.369 330 HG12 VAL 51 HG12 VAL 51 -10.100 -12.934 -24.206 331 HG13 VAL 51 HG13 VAL 51 -9.805 -11.841 -25.361 332 HG21 VAL 51 HG21 VAL 51 -7.613 -14.603 -24.567 333 HG22 VAL 51 HG22 VAL 51 -8.134 -15.636 -25.697 334 HG23 VAL 51 HG23 VAL 51 -9.065 -15.300 -24.418 335 H TRP 52 H TRP 52 -12.254 -12.698 -25.999 336 HA TRP 52 HA TRP 52 -11.932 -11.082 -28.357 337 HB2 TRP 52 HB2 TRP 52 -14.440 -10.704 -28.037 338 HB3 TRP 52 HB3 TRP 52 -13.903 -11.985 -28.894 339 HD1 TRP 52 HD1 TRP 52 -14.178 -14.403 -27.762 340 HE1 TRP 52 HE1 TRP 52 -15.670 -15.338 -25.972 341 HE3 TRP 52 HE3 TRP 52 -15.608 -10.045 -25.789 342 HZ2 TRP 52 HZ2 TRP 52 -17.318 -14.198 -24.000 343 HZ3 TRP 52 HZ3 TRP 52 -17.162 -10.051 -23.965 344 HH2 TRP 52 HH2 TRP 52 -18.026 -12.111 -23.103 345 H ASN 53 H ASN 53 -12.485 -8.830 -28.234 346 HA ASN 53 HA ASN 53 -12.164 -6.907 -27.229 347 HB2 ASN 53 HB2 ASN 53 -13.635 -8.053 -25.014 348 HB3 ASN 53 HB3 ASN 53 -13.357 -6.451 -25.162 349 HD21 ASN 53 HD21 ASN 53 -16.766 -7.285 -26.378 350 HD22 ASN 53 HD22 ASN 53 -15.911 -7.632 -24.913 351 H GLY 54 H GLY 54 -9.921 -8.351 -27.161 352 HA2 GLY 54 HA2 GLY 54 -8.420 -7.018 -25.288 353 HA3 GLY 54 HA3 GLY 54 -8.705 -8.508 -24.684 354 H SER 55 H SER 55 -6.106 -7.788 -25.141 355 HA SER 55 HA SER 55 -5.417 -9.206 -27.573 356 HB2 SER 55 HB2 SER 55 -4.459 -7.009 -27.446 357 HB3 SER 55 HB3 SER 55 -3.716 -7.415 -26.049 358 HG SER 55 HG SER 55 -2.220 -8.396 -27.061 359 H LEU 56 H LEU 56 -4.096 -11.090 -27.468 360 HA LEU 56 HA LEU 56 -3.718 -11.982 -24.777 361 HB2 LEU 56 HB2 LEU 56 -4.484 -14.147 -25.332 362 HB3 LEU 56 HB3 LEU 56 -5.614 -13.067 -25.806 363 HG LEU 56 HG LEU 56 -3.785 -14.012 -27.763 364 HD11 LEU 56 HD11 LEU 56 -5.188 -15.933 -28.186 365 HD12 LEU 56 HD12 LEU 56 -6.088 -15.557 -26.896 366 HD13 LEU 56 HD13 LEU 56 -4.554 -16.029 -26.701 367 HD21 LEU 56 HD21 LEU 56 -5.634 -13.714 -29.247 368 HD22 LEU 56 HD22 LEU 56 -5.340 -12.343 -28.441 369 HD23 LEU 56 HD23 LEU 56 -6.574 -13.290 -28.001 370 H THR 57 H THR 57 -2.071 -13.392 -24.200 371 HA THR 57 HA THR 57 -0.177 -14.073 -26.229 372 HB THR 57 HB THR 57 1.670 -13.397 -24.655 373 HG1 THR 57 HG1 THR 57 0.298 -11.415 -23.607 374 HG21 THR 57 HG21 THR 57 1.687 -11.133 -25.455 375 HG22 THR 57 HG22 THR 57 0.127 -11.249 -25.863 376 HG23 THR 57 HG23 THR 57 1.238 -12.105 -26.667 377 H SER 58 H SER 58 1.361 -15.840 -25.449 378 HA SER 58 HA SER 58 0.333 -17.193 -23.123 379 HB2 SER 58 HB2 SER 58 -0.635 -18.305 -25.025 380 HB3 SER 58 HB3 SER 58 0.856 -18.555 -25.641 381 HG SER 58 HG SER 58 0.436 -19.509 -23.156 382 H GLY 59 H GLY 59 1.827 -18.632 -22.030 383 HA2 GLY 59 HA2 GLY 59 4.558 -17.897 -22.582 384 HA3 GLY 59 HA3 GLY 59 3.994 -18.416 -21.140 385 H SER 60 H SER 60 6.289 -19.516 -22.158 386 HA SER 60 HA SER 60 5.805 -21.798 -23.618 387 HB2 SER 60 HB2 SER 60 8.055 -21.466 -21.780 388 HB3 SER 60 HB3 SER 60 8.080 -22.349 -23.154 389 HG SER 60 HG SER 60 8.280 -20.631 -24.355 390 H ASP 61 H ASP 61 5.137 -21.145 -20.446 391 HA ASP 61 HA ASP 61 5.347 -23.796 -19.496 392 HB2 ASP 61 HB2 ASP 61 5.586 -21.664 -18.159 393 HB3 ASP 61 HB3 ASP 61 3.954 -21.684 -18.089 394 H GLY 62 H GLY 62 3.272 -22.546 -21.542 395 HA2 GLY 62 HA2 GLY 62 1.316 -23.490 -22.252 396 HA3 GLY 62 HA3 GLY 62 1.265 -24.456 -20.936 397 H THR 63 H THR 63 1.782 -21.356 -19.991 398 HA THR 63 HA THR 63 -0.884 -21.127 -19.045 399 HB THR 63 HB THR 63 0.044 -19.138 -17.832 400 HG1 THR 63 HG1 THR 63 2.465 -20.030 -18.807 401 HG21 THR 63 HG21 THR 63 1.359 -20.440 -16.303 402 HG22 THR 63 HG22 THR 63 1.499 -21.620 -17.400 403 HG23 THR 63 HG23 THR 63 0.062 -21.306 -16.728 404 H VAL 64 H VAL 64 -2.268 -19.238 -19.402 405 HA VAL 64 HA VAL 64 -1.488 -17.788 -21.754 406 HB VAL 64 HB VAL 64 -3.845 -17.726 -22.432 407 HG11 VAL 64 HG11 VAL 64 -3.918 -19.979 -23.262 408 HG12 VAL 64 HG12 VAL 64 -2.743 -20.399 -22.234 409 HG13 VAL 64 HG13 VAL 64 -2.431 -19.372 -23.443 410 HG21 VAL 64 HG21 VAL 64 -5.387 -19.222 -21.372 411 HG22 VAL 64 HG22 VAL 64 -4.857 -18.129 -20.305 412 HG23 VAL 64 HG23 VAL 64 -4.257 -19.631 -20.290 413 H THR 65 H THR 65 -2.126 -15.555 -21.942 414 HA THR 65 HA THR 65 -3.506 -14.522 -19.703 415 HB THR 65 HB THR 65 -1.164 -14.288 -19.053 416 HG1 THR 65 HG1 THR 65 -2.149 -11.763 -19.495 417 HG21 THR 65 HG21 THR 65 0.243 -12.767 -20.247 418 HG22 THR 65 HG22 THR 65 -0.932 -12.496 -21.323 419 HG23 THR 65 HG23 THR 65 -0.219 -13.945 -21.253 420 H VAL 66 H VAL 66 -4.534 -12.495 -19.911 421 HA VAL 66 HA VAL 66 -4.586 -11.490 -22.622 422 HB VAL 66 HB VAL 66 -6.769 -11.373 -20.714 423 HG11 VAL 66 HG11 VAL 66 -8.087 -10.473 -22.492 424 HG12 VAL 66 HG12 VAL 66 -6.793 -10.473 -23.461 425 HG13 VAL 66 HG13 VAL 66 -6.840 -9.492 -22.176 426 HG21 VAL 66 HG21 VAL 66 -7.870 -12.957 -22.148 427 HG22 VAL 66 HG22 VAL 66 -6.492 -13.591 -21.587 428 HG23 VAL 66 HG23 VAL 66 -6.562 -13.014 -23.097 429 H ARG 67 H ARG 67 -4.116 -9.263 -22.897 430 HA ARG 67 HA ARG 67 -3.782 -7.729 -20.528 431 HB2 ARG 67 HB2 ARG 67 -1.424 -7.311 -21.023 432 HB3 ARG 67 HB3 ARG 67 -1.702 -8.878 -20.658 433 HG2 ARG 67 HG2 ARG 67 -1.689 -9.390 -22.993 434 HG3 ARG 67 HG3 ARG 67 -1.315 -7.831 -23.309 435 HD2 ARG 67 HD2 ARG 67 0.364 -9.514 -21.686 436 HD3 ARG 67 HD3 ARG 67 0.609 -9.319 -23.289 437 HE ARG 67 HE ARG 67 1.120 -7.383 -21.243 438 HH11 ARG 67 HH11 ARG 67 2.399 -5.637 -21.806 439 HH12 ARG 67 HH12 ARG 67 2.800 -5.342 -23.465 440 HH21 ARG 67 HH21 ARG 67 1.072 -8.096 -24.696 441 HH22 ARG 67 HH22 ARG 67 2.053 -6.724 -25.092 442 H ASN 68 H ASN 68 -3.134 -5.477 -20.813 443 HA ASN 68 HA ASN 68 -3.386 -3.560 -21.835 444 HB2 ASN 68 HB2 ASN 68 -2.160 -5.019 -24.026 445 HB3 ASN 68 HB3 ASN 68 -2.354 -3.399 -24.111 446 HD21 ASN 68 HD21 ASN 68 0.585 -2.642 -22.518 447 HD22 ASN 68 HD22 ASN 68 -0.702 -2.135 -23.561 448 H VAL 69 H VAL 69 -5.832 -4.387 -21.699 449 HA VAL 69 HA VAL 69 -6.985 -4.501 -24.238 450 HB VAL 69 HB VAL 69 -8.494 -4.094 -21.777 451 HG11 VAL 69 HG11 VAL 69 -10.295 -5.112 -22.988 452 HG12 VAL 69 HG12 VAL 69 -9.343 -5.266 -24.286 453 HG13 VAL 69 HG13 VAL 69 -9.783 -3.796 -23.775 454 HG21 VAL 69 HG21 VAL 69 -8.701 -6.444 -21.570 455 HG22 VAL 69 HG22 VAL 69 -7.145 -6.013 -21.473 456 HG23 VAL 69 HG23 VAL 69 -7.723 -6.654 -22.840 457 H ASP 70 H ASP 70 -7.857 -2.856 -25.497 458 HA ASP 70 HA ASP 70 -7.337 -0.259 -24.620 459 HB2 ASP 70 HB2 ASP 70 -7.948 0.394 -26.848 460 HB3 ASP 70 HB3 ASP 70 -7.067 -0.977 -26.951 461 H HIS 71 H HIS 71 -9.957 -2.149 -24.148 462 HA HIS 71 HA HIS 71 -11.988 -0.337 -24.542 463 HB2 HIS 71 HB2 HIS 71 -13.403 -1.856 -23.410 464 HB3 HIS 71 HB3 HIS 71 -12.351 -2.728 -24.304 465 HD1 HIS 71 HD1 HIS 71 -13.630 -4.305 -22.188 466 HD2 HIS 71 HD2 HIS 71 -10.244 -2.105 -21.520 467 HE1 HIS 71 HE1 HIS 71 -12.464 -5.251 -20.210 468 HE2 HIS 71 HE2 HIS 71 -10.420 -3.931 -19.770 469 H ASN 72 H ASN 72 -9.627 -0.178 -22.328 470 HA ASN 72 HA ASN 72 -11.191 0.952 -20.267 471 HB2 ASN 72 HB2 ASN 72 -9.217 1.011 -18.989 472 HB3 ASN 72 HB3 ASN 72 -9.145 -0.378 -19.845 473 HD21 ASN 72 HD21 ASN 72 -5.981 1.735 -19.973 474 HD22 ASN 72 HD22 ASN 72 -7.061 1.415 -18.658 475 H ARG 73 H ARG 73 -10.190 2.148 -23.073 476 HA ARG 73 HA ARG 73 -8.979 4.512 -22.287 477 HB2 ARG 73 HB2 ARG 73 -8.752 3.540 -24.511 478 HB3 ARG 73 HB3 ARG 73 -10.296 3.971 -24.826 479 HG2 ARG 73 HG2 ARG 73 -9.659 6.266 -24.643 480 HG3 ARG 73 HG3 ARG 73 -8.111 5.797 -24.421 481 HD2 ARG 73 HD2 ARG 73 -8.055 4.869 -26.588 482 HD3 ARG 73 HD3 ARG 73 -9.628 5.250 -26.810 483 HE ARG 73 HE ARG 73 -8.230 7.567 -26.219 484 HH11 ARG 73 HH11 ARG 73 -7.732 9.039 -27.828 485 HH12 ARG 73 HH12 ARG 73 -7.749 8.558 -29.492 486 HH21 ARG 73 HH21 ARG 73 -8.678 5.269 -28.848 487 HH22 ARG 73 HH22 ARG 73 -8.282 6.433 -30.068 488 H VAL 74 H VAL 74 -12.266 3.712 -22.863 489 HA VAL 74 HA VAL 74 -13.004 6.441 -23.023 490 HB VAL 74 HB VAL 74 -14.755 4.112 -23.202 491 HG11 VAL 74 HG11 VAL 74 -16.368 5.569 -24.215 492 HG12 VAL 74 HG12 VAL 74 -15.375 6.827 -24.002 493 HG13 VAL 74 HG13 VAL 74 -16.023 6.082 -22.721 494 HG21 VAL 74 HG21 VAL 74 -14.628 4.382 -25.592 495 HG22 VAL 74 HG22 VAL 74 -13.152 4.107 -24.992 496 HG23 VAL 74 HG23 VAL 74 -13.591 5.608 -25.402 497 H VAL 75 H VAL 75 -13.413 3.796 -20.862 498 HA VAL 75 HA VAL 75 -15.178 5.104 -19.148 499 HB VAL 75 HB VAL 75 -14.696 3.245 -17.605 500 HG11 VAL 75 HG11 VAL 75 -15.634 1.532 -19.004 501 HG12 VAL 75 HG12 VAL 75 -15.303 2.416 -20.317 502 HG13 VAL 75 HG13 VAL 75 -16.408 2.930 -19.254 503 HG21 VAL 75 HG21 VAL 75 -13.218 1.515 -18.325 504 HG22 VAL 75 HG22 VAL 75 -12.404 2.901 -18.147 505 HG23 VAL 75 HG23 VAL 75 -12.815 2.389 -19.624 506 HA PRO 76 HA PRO 76 -12.402 7.381 -16.728 507 HB2 PRO 76 HB2 PRO 76 -13.404 7.317 -14.244 508 HB3 PRO 76 HB3 PRO 76 -14.187 8.170 -15.396 509 HG2 PRO 76 HG2 PRO 76 -14.729 5.520 -14.515 510 HG3 PRO 76 HG3 PRO 76 -15.789 6.744 -14.726 511 HD2 PRO 76 HD2 PRO 76 -15.532 4.951 -16.574 512 HD3 PRO 76 HD3 PRO 76 -15.785 6.508 -16.998 513 HA PRO 77 HA PRO 77 -9.448 4.858 -14.930 514 HB2 PRO 77 HB2 PRO 77 -8.184 6.424 -13.180 515 HB3 PRO 77 HB3 PRO 77 -7.989 6.703 -14.778 516 HG2 PRO 77 HG2 PRO 77 -9.781 8.002 -12.986 517 HG3 PRO 77 HG3 PRO 77 -8.766 8.692 -14.063 518 HD2 PRO 77 HD2 PRO 77 -11.262 8.379 -14.685 519 HD3 PRO 77 HD3 PRO 77 -10.120 8.184 -15.836 520 H ASP 78 H ASP 78 -8.594 3.878 -12.957 521 HA ASP 78 HA ASP 78 -9.049 2.657 -11.261 522 HB2 ASP 78 HB2 ASP 78 -9.604 3.751 -9.197 523 HB3 ASP 78 HB3 ASP 78 -8.669 4.743 -10.097 524 H GLY 79 H GLY 79 -11.451 3.035 -13.121 525 HA2 GLY 79 HA2 GLY 79 -13.506 1.962 -11.489 526 HA3 GLY 79 HA3 GLY 79 -13.586 2.228 -13.098 527 H SER 80 H SER 80 -14.810 0.133 -12.882 528 HA SER 80 HA SER 80 -12.972 -2.081 -13.010 529 HB2 SER 80 HB2 SER 80 -14.745 -2.368 -11.387 530 HB3 SER 80 HB3 SER 80 -15.850 -2.222 -12.581 531 HG SER 80 HG SER 80 -14.783 -4.375 -11.765 532 H VAL 81 H VAL 81 -12.995 -3.558 -14.782 533 HA VAL 81 HA VAL 81 -14.600 -2.720 -17.001 534 HB VAL 81 HB VAL 81 -12.706 -3.029 -18.512 535 HG11 VAL 81 HG11 VAL 81 -11.627 -0.943 -18.018 536 HG12 VAL 81 HG12 VAL 81 -12.289 -0.948 -16.543 537 HG13 VAL 81 HG13 VAL 81 -13.229 -0.797 -17.851 538 HG21 VAL 81 HG21 VAL 81 -10.478 -3.134 -17.588 539 HG22 VAL 81 HG22 VAL 81 -11.327 -4.431 -17.127 540 HG23 VAL 81 HG23 VAL 81 -11.097 -3.207 -16.096 541 H THR 82 H THR 82 -14.979 -4.447 -18.652 542 HA THR 82 HA THR 82 -14.222 -7.012 -17.682 543 HB THR 82 HB THR 82 -16.524 -6.653 -16.911 544 HG1 THR 82 HG1 THR 82 -17.401 -8.596 -17.842 545 HG21 THR 82 HG21 THR 82 -18.294 -6.591 -18.523 546 HG22 THR 82 HG22 THR 82 -17.221 -6.641 -19.731 547 HG23 THR 82 HG23 THR 82 -17.313 -5.333 -18.785 548 H PHE 83 H PHE 83 -14.318 -8.807 -19.159 549 HA PHE 83 HA PHE 83 -14.659 -8.302 -21.937 550 HB2 PHE 83 HB2 PHE 83 -12.480 -8.734 -22.624 551 HB3 PHE 83 HB3 PHE 83 -12.459 -7.444 -21.624 552 HD1 PHE 83 HD1 PHE 83 -11.220 -10.681 -22.137 553 HD2 PHE 83 HD2 PHE 83 -11.623 -7.718 -19.286 554 HE1 PHE 83 HE1 PHE 83 -9.575 -11.760 -20.787 555 HE2 PHE 83 HE2 PHE 83 -9.983 -8.795 -17.928 556 HZ PHE 83 HZ PHE 83 -8.961 -10.825 -18.671 557 H GLY 84 H GLY 84 -13.774 -10.584 -23.067 558 HA2 GLY 84 HA2 GLY 84 -14.026 -12.713 -21.202 559 HA3 GLY 84 HA3 GLY 84 -15.280 -12.583 -22.240 560 H PHE 85 H PHE 85 -14.292 -14.928 -22.321 561 HA PHE 85 HA PHE 85 -12.862 -15.012 -24.797 562 HB2 PHE 85 HB2 PHE 85 -11.286 -16.616 -23.990 563 HB3 PHE 85 HB3 PHE 85 -11.123 -15.193 -23.204 564 HD1 PHE 85 HD1 PHE 85 -11.741 -14.987 -20.852 565 HD2 PHE 85 HD2 PHE 85 -12.016 -18.605 -22.833 566 HE1 PHE 85 HE1 PHE 85 -11.917 -16.117 -18.757 567 HE2 PHE 85 HE2 PHE 85 -12.202 -19.741 -20.738 568 HZ PHE 85 HZ PHE 85 -12.134 -18.496 -18.696 569 H THR 86 H THR 86 -12.801 -17.357 -25.679 570 HA THR 86 HA THR 86 -15.217 -18.681 -24.833 571 HB THR 86 HB THR 86 -15.411 -17.899 -27.108 572 HG1 THR 86 HG1 THR 86 -16.724 -19.486 -27.072 573 HG21 THR 86 HG21 THR 86 -14.072 -18.908 -28.821 574 HG22 THR 86 HG22 THR 86 -13.258 -19.755 -27.710 575 HG23 THR 86 HG23 THR 86 -13.096 -18.147 -27.781 576 H ALA 87 H ALA 87 -15.254 -21.056 -24.899 577 HA ALA 87 HA ALA 87 -12.693 -22.287 -24.721 578 HB1 ALA 87 HB1 ALA 87 -12.922 -21.315 -22.533 579 HB2 ALA 87 HB2 ALA 87 -12.991 -22.925 -22.401 580 HB3 ALA 87 HB3 ALA 87 -14.350 -22.050 -22.342 581 H THR 88 H THR 88 -12.837 -24.655 -24.237 582 HA THR 88 HA THR 88 -15.405 -25.689 -25.009 583 HB THR 88 HB THR 88 -14.103 -27.624 -25.978 584 HG1 THR 88 HG1 THR 88 -12.180 -26.766 -24.842 585 HG21 THR 88 HG21 THR 88 -13.691 -26.472 -28.040 586 HG22 THR 88 HG22 THR 88 -13.777 -25.047 -27.282 587 HG23 THR 88 HG23 THR 88 -15.102 -25.960 -27.439 588 H SER 89 H SER 89 -15.879 -27.931 -24.209 589 HA SER 89 HA SER 89 -14.443 -28.554 -21.819 590 HB2 SER 89 HB2 SER 89 -16.273 -27.194 -21.037 591 HB3 SER 89 HB3 SER 89 -17.337 -28.163 -21.808 592 HG SER 89 HG SER 89 -16.591 -28.389 -19.409 593 H THR 90 H THR 90 -14.331 -30.701 -21.260 594 HA THR 90 HA THR 90 -15.750 -32.495 -22.982 595 HB THR 90 HB THR 90 -14.144 -34.201 -22.203 596 HG1 THR 90 HG1 THR 90 -13.831 -33.039 -20.189 597 HG21 THR 90 HG21 THR 90 -12.229 -33.310 -23.340 598 HG22 THR 90 HG22 THR 90 -12.844 -31.818 -23.244 599 HG23 THR 90 HG23 THR 90 -13.553 -32.926 -24.185 600 H GLY 91 H GLY 91 -15.978 -31.088 -20.071 601 HA2 GLY 91 HA2 GLY 91 -18.069 -32.467 -19.091 602 HA3 GLY 91 HA3 GLY 91 -16.775 -33.246 -18.469 603 H ASN 92 H ASN 92 -15.163 -30.834 -18.262 604 HA ASN 92 HA ASN 92 -14.664 -29.453 -16.594 605 HB2 ASN 92 HB2 ASN 92 -16.461 -28.152 -17.611 606 HB3 ASN 92 HB3 ASN 92 -17.444 -28.694 -16.424 607 HD21 ASN 92 HD21 ASN 92 -16.702 -26.093 -14.310 608 HD22 ASN 92 HD22 ASN 92 -17.835 -27.293 -14.836 609 H ASP 93 H ASP 93 -14.805 -31.959 -15.733 610 HA ASP 93 HA ASP 93 -16.588 -32.437 -13.686 611 HB2 ASP 93 HB2 ASP 93 -13.982 -33.678 -14.009 612 HB3 ASP 93 HB3 ASP 93 -15.251 -34.353 -13.235 613 H PHE 94 H PHE 94 -13.462 -31.028 -13.710 614 HA PHE 94 HA PHE 94 -13.729 -30.419 -10.898 615 HB2 PHE 94 HB2 PHE 94 -11.257 -30.442 -12.388 616 HB3 PHE 94 HB3 PHE 94 -11.384 -30.212 -10.776 617 HD1 PHE 94 HD1 PHE 94 -11.989 -32.105 -9.301 618 HD2 PHE 94 HD2 PHE 94 -11.228 -32.643 -13.325 619 HE1 PHE 94 HE1 PHE 94 -11.800 -34.459 -8.946 620 HE2 PHE 94 HE2 PHE 94 -11.033 -34.996 -12.983 621 HZ PHE 94 HZ PHE 94 -11.318 -35.912 -10.791 622 HA PRO 95 HA PRO 95 -14.274 -26.385 -12.213 623 HB2 PRO 95 HB2 PRO 95 -13.796 -24.915 -10.027 624 HB3 PRO 95 HB3 PRO 95 -15.107 -25.889 -10.051 625 HG2 PRO 95 HG2 PRO 95 -12.547 -26.434 -8.909 626 HG3 PRO 95 HG3 PRO 95 -14.014 -26.670 -8.232 627 HD2 PRO 95 HD2 PRO 95 -12.749 -28.654 -9.340 628 HD3 PRO 95 HD3 PRO 95 -14.379 -28.578 -9.411 629 H VAL 96 H VAL 96 -13.464 -24.488 -13.004 630 HA VAL 96 HA VAL 96 -10.668 -24.513 -13.345 631 HB VAL 96 HB VAL 96 -12.479 -22.395 -14.177 632 HG11 VAL 96 HG11 VAL 96 -10.835 -21.881 -15.841 633 HG12 VAL 96 HG12 VAL 96 -9.882 -23.056 -15.269 634 HG13 VAL 96 HG13 VAL 96 -10.190 -21.753 -14.363 635 HG21 VAL 96 HG21 VAL 96 -12.675 -23.532 -16.298 636 HG22 VAL 96 HG22 VAL 96 -13.246 -24.475 -15.115 637 HG23 VAL 96 HG23 VAL 96 -11.776 -24.751 -15.731 638 H ASP 97 H ASP 97 -12.937 -23.052 -11.346 639 HA ASP 97 HA ASP 97 -12.828 -21.672 -9.651 640 HB2 ASP 97 HB2 ASP 97 -10.784 -23.083 -9.118 641 HB3 ASP 97 HB3 ASP 97 -9.969 -21.698 -9.411 642 H SER 98 H SER 98 -11.758 -19.512 -8.731 643 HA SER 98 HA SER 98 -11.810 -17.763 -10.964 644 HB2 SER 98 HB2 SER 98 -11.730 -17.089 -8.128 645 HB3 SER 98 HB3 SER 98 -12.002 -15.997 -9.312 646 HG SER 98 HG SER 98 -13.982 -16.418 -8.906 647 H ILE 99 H ILE 99 -10.263 -15.970 -11.262 648 HA ILE 99 HA ILE 99 -7.709 -16.584 -10.168 649 HB ILE 99 HB ILE 99 -6.596 -16.172 -12.316 650 HG12 ILE 99 HG12 ILE 99 -8.590 -14.897 -13.121 651 HG13 ILE 99 HG13 ILE 99 -7.596 -15.647 -14.177 652 HG21 ILE 99 HG21 ILE 99 -7.132 -18.283 -13.292 653 HG22 ILE 99 HG22 ILE 99 -8.452 -18.384 -12.365 654 HG23 ILE 99 HG23 ILE 99 -6.984 -18.429 -11.689 655 HD11 ILE 99 HD11 ILE 99 -9.863 -16.012 -14.790 656 HD12 ILE 99 HD12 ILE 99 -10.163 -16.681 -13.348 657 HD13 ILE 99 HD13 ILE 99 -9.178 -17.423 -14.395 658 H GLY 100 H GLY 100 -6.102 -14.851 -10.146 659 HA2 GLY 100 HA2 GLY 100 -7.395 -12.314 -9.824 660 HA3 GLY 100 HA3 GLY 100 -5.904 -12.709 -9.286 661 H CYS 101 H CYS 101 -5.598 -10.435 -10.239 662 HA CYS 101 HA CYS 101 -4.640 -10.814 -12.934 663 HB2 CYS 101 HB2 CYS 101 -5.118 -8.534 -13.361 664 HB3 CYS 101 HB3 CYS 101 -6.437 -9.480 -13.178 665 H VAL 102 H VAL 102 -2.787 -9.444 -13.549 666 HA VAL 102 HA VAL 102 -1.303 -8.590 -11.252 667 HB VAL 102 HB VAL 102 0.755 -9.399 -12.332 668 HG11 VAL 102 HG11 VAL 102 0.425 -11.713 -11.765 669 HG12 VAL 102 HG12 VAL 102 -1.175 -11.481 -11.737 670 HG13 VAL 102 HG13 VAL 102 -0.235 -10.768 -10.631 671 HG21 VAL 102 HG21 VAL 102 0.562 -10.942 -14.152 672 HG22 VAL 102 HG22 VAL 102 -0.020 -9.497 -14.586 673 HG23 VAL 102 HG23 VAL 102 -1.035 -10.695 -14.200 674 H ALA 103 H ALA 103 0.410 -6.965 -11.671 675 HA ALA 103 HA ALA 103 -0.027 -5.485 -14.113 676 HB1 ALA 103 HB1 ALA 103 -1.205 -4.326 -12.382 677 HB2 ALA 103 HB2 ALA 103 0.054 -3.425 -12.848 678 HB3 ALA 103 HB3 ALA 103 0.134 -4.279 -11.477 679 HA PRO 104 HA PRO 104 4.364 -5.338 -14.042 680 HB2 PRO 104 HB2 PRO 104 4.960 -3.193 -15.495 681 HB3 PRO 104 HB3 PRO 104 4.317 -4.491 -16.249 682 HG2 PRO 104 HG2 PRO 104 2.963 -2.147 -15.345 683 HG3 PRO 104 HG3 PRO 104 2.822 -2.887 -16.794 684 HD2 PRO 104 HD2 PRO 104 1.067 -3.307 -14.909 685 HD3 PRO 104 HD3 PRO 104 1.445 -4.490 -15.971 Start of MODEL 13 1 H1 HIS 1 H1 HIS 1 1.735 -0.182 -2.156 2 H2 HIS 1 H2 HIS 1 1.258 -1.546 -1.430 3 H3 HIS 1 H3 HIS 1 0.545 -1.067 -2.799 4 HA HIS 1 HA HIS 1 2.512 -1.409 -3.981 5 HB2 HIS 1 HB2 HIS 1 3.623 -2.402 -1.492 6 HB3 HIS 1 HB3 HIS 1 4.417 -2.432 -2.918 7 HD1 HIS 1 HD1 HIS 1 4.379 -0.619 0.061 8 HD2 HIS 1 HD2 HIS 1 4.728 0.416 -3.887 9 HE1 HIS 1 HE1 HIS 1 5.379 1.659 -0.071 10 HE2 HIS 1 HE2 HIS 1 5.593 2.308 -2.447 11 H THR 2 H THR 2 0.094 -2.698 -3.883 12 HA THR 2 HA THR 2 0.539 -5.443 -3.532 13 HB THR 2 HB THR 2 -1.721 -4.584 -3.490 14 HG1 THR 2 HG1 THR 2 -2.669 -6.243 -4.661 15 HG21 THR 2 HG21 THR 2 -2.821 -4.009 -5.551 16 HG22 THR 2 HG22 THR 2 -1.447 -4.247 -6.370 17 HG23 THR 2 HG23 THR 2 -1.568 -3.009 -5.338 18 H GLY 3 H GLY 3 0.857 -7.086 -5.152 19 HA2 GLY 3 HA2 GLY 3 2.038 -6.049 -7.570 20 HA3 GLY 3 HA3 GLY 3 2.355 -7.513 -6.921 21 H SER 4 H SER 4 -0.797 -7.228 -6.508 22 HA SER 4 HA SER 4 -1.494 -8.154 -9.117 23 HB2 SER 4 HB2 SER 4 -1.183 -10.133 -7.757 24 HB3 SER 4 HB3 SER 4 -2.292 -9.572 -6.697 25 HG SER 4 HG SER 4 -2.763 -10.340 -9.303 26 H CYS 5 H CYS 5 -3.432 -7.471 -9.938 27 HA CYS 5 HA CYS 5 -5.194 -6.011 -8.208 28 HB2 CYS 5 HB2 CYS 5 -6.500 -5.901 -10.274 29 HB3 CYS 5 HB3 CYS 5 -5.176 -4.964 -10.085 30 H MET 6 H MET 6 -7.714 -6.732 -8.935 31 HA MET 6 HA MET 6 -7.760 -9.546 -8.285 32 HB2 MET 6 HB2 MET 6 -9.683 -7.543 -7.514 33 HB3 MET 6 HB3 MET 6 -9.905 -9.138 -7.241 34 HG2 MET 6 HG2 MET 6 -7.826 -7.555 -6.135 35 HG3 MET 6 HG3 MET 6 -9.191 -7.981 -5.346 36 HE1 MET 6 HE1 MET 6 -5.495 -10.059 -4.814 37 HE2 MET 6 HE2 MET 6 -6.074 -8.615 -4.377 38 HE3 MET 6 HE3 MET 6 -5.625 -8.876 -5.908 39 H ALA 7 H ALA 7 -9.315 -10.934 -9.312 40 HA ALA 7 HA ALA 7 -10.756 -9.712 -11.475 41 HB1 ALA 7 HB1 ALA 7 -8.808 -10.710 -12.466 42 HB2 ALA 7 HB2 ALA 7 -10.121 -11.513 -12.961 43 HB3 ALA 7 HB3 ALA 7 -9.183 -12.135 -11.800 44 H VAL 8 H VAL 8 -12.725 -10.702 -12.091 45 HA VAL 8 HA VAL 8 -13.618 -12.785 -10.326 46 HB VAL 8 HB VAL 8 -15.261 -10.547 -11.195 47 HG11 VAL 8 HG11 VAL 8 -16.996 -11.475 -9.823 48 HG12 VAL 8 HG12 VAL 8 -16.049 -12.737 -9.471 49 HG13 VAL 8 HG13 VAL 8 -16.588 -12.527 -10.981 50 HG21 VAL 8 HG21 VAL 8 -15.320 -9.872 -8.908 51 HG22 VAL 8 HG22 VAL 8 -13.797 -9.870 -9.449 52 HG23 VAL 8 HG23 VAL 8 -14.322 -11.083 -8.518 53 H TYR 9 H TYR 9 -14.649 -14.523 -11.386 54 HA TYR 9 HA TYR 9 -14.881 -14.198 -14.232 55 HB2 TYR 9 HB2 TYR 9 -13.270 -15.833 -13.768 56 HB3 TYR 9 HB3 TYR 9 -14.267 -16.586 -12.717 57 HD1 TYR 9 HD1 TYR 9 -15.413 -18.476 -13.414 58 HD2 TYR 9 HD2 TYR 9 -14.089 -15.795 -16.270 59 HE1 TYR 9 HE1 TYR 9 -16.215 -19.913 -15.136 60 HE2 TYR 9 HE2 TYR 9 -14.896 -17.245 -18.000 61 HH TYR 9 HH TYR 9 -16.122 -20.444 -17.365 62 H SER 10 H SER 10 -16.778 -14.527 -15.282 63 HA SER 10 HA SER 10 -18.861 -15.893 -13.848 64 HB2 SER 10 HB2 SER 10 -19.184 -13.382 -15.286 65 HB3 SER 10 HB3 SER 10 -20.459 -14.253 -14.754 66 HG SER 10 HG SER 10 -19.390 -12.453 -13.444 67 H VAL 11 H VAL 11 -20.428 -17.053 -15.120 68 HA VAL 11 HA VAL 11 -19.390 -17.677 -17.707 69 HB VAL 11 HB VAL 11 -21.476 -19.077 -16.268 70 HG11 VAL 11 HG11 VAL 11 -21.162 -20.865 -17.866 71 HG12 VAL 11 HG12 VAL 11 -20.074 -19.968 -18.658 72 HG13 VAL 11 HG13 VAL 11 -21.627 -19.518 -18.630 73 HG21 VAL 11 HG21 VAL 11 -19.810 -20.729 -15.750 74 HG22 VAL 11 HG22 VAL 11 -19.393 -19.298 -15.124 75 HG23 VAL 11 HG23 VAL 11 -18.686 -19.824 -16.479 76 H GLU 12 H GLU 12 -20.470 -17.368 -19.662 77 HA GLU 12 HA GLU 12 -22.583 -15.460 -19.444 78 HB2 GLU 12 HB2 GLU 12 -21.050 -16.108 -21.813 79 HB3 GLU 12 HB3 GLU 12 -22.040 -14.817 -21.667 80 HG2 GLU 12 HG2 GLU 12 -19.876 -14.939 -19.851 81 HG3 GLU 12 HG3 GLU 12 -19.499 -14.599 -21.403 82 H ASN 13 H ASN 13 -21.795 -18.188 -21.491 83 HA ASN 13 HA ASN 13 -24.532 -18.860 -21.775 84 HB2 ASN 13 HB2 ASN 13 -24.091 -17.172 -23.505 85 HB3 ASN 13 HB3 ASN 13 -22.980 -18.182 -24.147 86 HD21 ASN 13 HD21 ASN 13 -25.220 -19.677 -26.260 87 HD22 ASN 13 HD22 ASN 13 -23.608 -19.111 -25.976 88 H SER 14 H SER 14 -24.930 -20.925 -22.949 89 HA SER 14 HA SER 14 -22.537 -22.415 -23.468 90 HB2 SER 14 HB2 SER 14 -23.323 -23.207 -21.336 91 HB3 SER 14 HB3 SER 14 -24.780 -23.543 -21.992 92 HG SER 14 HG SER 14 -24.088 -25.372 -22.607 93 H TRP 15 H TRP 15 -22.634 -23.976 -25.160 94 HA TRP 15 HA TRP 15 -25.048 -24.298 -26.553 95 HB2 TRP 15 HB2 TRP 15 -24.352 -23.268 -28.608 96 HB3 TRP 15 HB3 TRP 15 -24.480 -22.169 -27.407 97 HD1 TRP 15 HD1 TRP 15 -21.326 -23.829 -27.002 98 HE1 TRP 15 HE1 TRP 15 -19.346 -22.526 -27.833 99 HE3 TRP 15 HE3 TRP 15 -23.873 -20.414 -29.593 100 HZ2 TRP 15 HZ2 TRP 15 -19.045 -20.213 -29.398 101 HZ3 TRP 15 HZ3 TRP 15 -22.671 -18.663 -30.710 102 HH2 TRP 15 HH2 TRP 15 -20.271 -18.580 -30.620 103 H SER 16 H SER 16 -24.562 -25.452 -28.847 104 HA SER 16 HA SER 16 -22.915 -27.643 -28.422 105 HB2 SER 16 HB2 SER 16 -23.026 -27.582 -31.037 106 HB3 SER 16 HB3 SER 16 -24.281 -28.120 -30.140 107 HG SER 16 HG SER 16 -23.968 -25.498 -30.932 108 H GLY 17 H GLY 17 -20.685 -27.748 -28.324 109 HA2 GLY 17 HA2 GLY 17 -18.681 -27.247 -29.535 110 HA3 GLY 17 HA3 GLY 17 -19.256 -25.750 -29.845 111 H GLY 18 H GLY 18 -20.186 -26.066 -26.840 112 HA2 GLY 18 HA2 GLY 18 -18.462 -26.204 -25.007 113 HA3 GLY 18 HA3 GLY 18 -17.723 -24.985 -25.803 114 H PHE 19 H PHE 19 -17.776 -23.622 -23.956 115 HA PHE 19 HA PHE 19 -20.306 -22.307 -23.770 116 HB2 PHE 19 HB2 PHE 19 -20.170 -22.104 -21.386 117 HB3 PHE 19 HB3 PHE 19 -20.311 -23.663 -21.850 118 HD1 PHE 19 HD1 PHE 19 -18.524 -25.249 -21.446 119 HD2 PHE 19 HD2 PHE 19 -18.066 -21.270 -20.439 120 HE1 PHE 19 HE1 PHE 19 -16.609 -25.805 -20.132 121 HE2 PHE 19 HE2 PHE 19 -16.167 -21.819 -19.110 122 HZ PHE 19 HZ PHE 19 -15.459 -24.091 -18.916 123 H GLN 20 H GLN 20 -20.122 -20.095 -22.658 124 HA GLN 20 HA GLN 20 -17.567 -18.924 -23.349 125 HB2 GLN 20 HB2 GLN 20 -20.022 -18.307 -24.382 126 HB3 GLN 20 HB3 GLN 20 -19.510 -17.010 -23.532 127 HG2 GLN 20 HG2 GLN 20 -17.644 -16.770 -24.867 128 HG3 GLN 20 HG3 GLN 20 -17.890 -18.223 -25.572 129 HE21 GLN 20 HE21 GLN 20 -19.440 -14.952 -27.167 130 HE22 GLN 20 HE22 GLN 20 -18.308 -14.951 -25.856 131 H GLY 21 H GLY 21 -16.660 -17.415 -21.912 132 HA2 GLY 21 HA2 GLY 21 -18.247 -16.722 -19.612 133 HA3 GLY 21 HA3 GLY 21 -16.809 -17.458 -19.370 134 H SER 22 H SER 22 -17.284 -14.994 -18.226 135 HA SER 22 HA SER 22 -15.571 -13.312 -19.810 136 HB2 SER 22 HB2 SER 22 -16.870 -11.381 -19.024 137 HB3 SER 22 HB3 SER 22 -17.777 -12.384 -19.940 138 HG SER 22 HG SER 22 -19.081 -12.448 -18.369 139 H VAL 23 H VAL 23 -14.200 -11.819 -18.684 140 HA VAL 23 HA VAL 23 -13.857 -12.555 -15.943 141 HB VAL 23 HB VAL 23 -11.356 -11.899 -16.927 142 HG11 VAL 23 HG11 VAL 23 -10.731 -14.055 -16.105 143 HG12 VAL 23 HG12 VAL 23 -12.291 -14.448 -15.946 144 HG13 VAL 23 HG13 VAL 23 -11.652 -13.286 -15.021 145 HG21 VAL 23 HG21 VAL 23 -10.981 -13.615 -18.542 146 HG22 VAL 23 HG22 VAL 23 -12.087 -12.568 -19.084 147 HG23 VAL 23 HG23 VAL 23 -12.550 -14.004 -18.502 148 H GLU 24 H GLU 24 -14.301 -10.788 -14.739 149 HA GLU 24 HA GLU 24 -13.728 -8.219 -15.853 150 HB2 GLU 24 HB2 GLU 24 -15.869 -8.605 -14.780 151 HB3 GLU 24 HB3 GLU 24 -15.086 -8.792 -13.359 152 HG2 GLU 24 HG2 GLU 24 -14.295 -6.510 -13.610 153 HG3 GLU 24 HG3 GLU 24 -15.324 -6.364 -14.869 154 H VAL 25 H VAL 25 -12.051 -6.912 -15.239 155 HA VAL 25 HA VAL 25 -10.527 -7.808 -12.974 156 HB VAL 25 HB VAL 25 -9.609 -6.012 -15.064 157 HG11 VAL 25 HG11 VAL 25 -7.424 -6.343 -14.129 158 HG12 VAL 25 HG12 VAL 25 -8.056 -7.279 -12.971 159 HG13 VAL 25 HG13 VAL 25 -8.405 -5.700 -13.016 160 HG21 VAL 25 HG21 VAL 25 -8.341 -7.864 -15.905 161 HG22 VAL 25 HG22 VAL 25 -9.919 -8.215 -15.947 162 HG23 VAL 25 HG23 VAL 25 -8.986 -8.826 -14.776 163 H MET 26 H MET 26 -10.505 -6.545 -11.115 164 HA MET 26 HA MET 26 -11.456 -3.847 -11.443 165 HB2 MET 26 HB2 MET 26 -12.509 -3.960 -9.328 166 HB3 MET 26 HB3 MET 26 -13.023 -5.227 -10.221 167 HG2 MET 26 HG2 MET 26 -12.659 -6.252 -8.399 168 HG3 MET 26 HG3 MET 26 -11.187 -6.407 -9.088 169 HE1 MET 26 HE1 MET 26 -12.191 -3.511 -5.741 170 HE2 MET 26 HE2 MET 26 -13.191 -4.670 -6.263 171 HE3 MET 26 HE3 MET 26 -12.863 -3.399 -7.208 172 H ASN 27 H ASN 27 -10.530 -2.127 -10.265 173 HA ASN 27 HA ASN 27 -7.851 -2.698 -9.572 174 HB2 ASN 27 HB2 ASN 27 -8.424 -0.666 -10.788 175 HB3 ASN 27 HB3 ASN 27 -9.178 -0.114 -9.448 176 HD21 ASN 27 HD21 ASN 27 -6.108 1.642 -9.170 177 HD22 ASN 27 HD22 ASN 27 -7.686 1.747 -9.877 178 H HIS 28 H HIS 28 -7.507 -3.653 -7.625 179 HA HIS 28 HA HIS 28 -9.126 -2.998 -5.427 180 HB2 HIS 28 HB2 HIS 28 -8.088 -5.233 -5.867 181 HB3 HIS 28 HB3 HIS 28 -6.711 -4.599 -5.262 182 HD1 HIS 28 HD1 HIS 28 -10.180 -5.450 -4.215 183 HD2 HIS 28 HD2 HIS 28 -6.522 -4.719 -2.527 184 HE1 HIS 28 HE1 HIS 28 -10.354 -5.889 -1.770 185 HE2 HIS 28 HE2 HIS 28 -8.142 -5.468 -0.725 186 H GLY 29 H GLY 29 -6.464 -1.638 -6.757 187 HA2 GLY 29 HA2 GLY 29 -5.587 -0.459 -4.284 188 HA3 GLY 29 HA3 GLY 29 -4.792 -0.382 -5.708 189 H THR 30 H THR 30 -4.905 1.945 -4.437 190 HA THR 30 HA THR 30 -7.151 3.321 -5.535 191 HB THR 30 HB THR 30 -6.513 3.837 -3.205 192 HG1 THR 30 HG1 THR 30 -6.269 6.265 -4.203 193 HG21 THR 30 HG21 THR 30 -4.609 5.235 -2.853 194 HG22 THR 30 HG22 THR 30 -4.256 5.184 -4.430 195 HG23 THR 30 HG23 THR 30 -4.117 3.850 -3.527 196 H GLU 31 H GLU 31 -4.069 2.580 -6.372 197 HA GLU 31 HA GLU 31 -3.805 4.835 -8.131 198 HB2 GLU 31 HB2 GLU 31 -1.865 2.766 -7.527 199 HB3 GLU 31 HB3 GLU 31 -1.558 4.029 -8.516 200 HG2 GLU 31 HG2 GLU 31 -1.903 5.495 -6.649 201 HG3 GLU 31 HG3 GLU 31 -2.033 4.178 -5.692 202 HA PRO 32 HA PRO 32 -5.165 2.228 -11.310 203 HB2 PRO 32 HB2 PRO 32 -4.771 3.690 -13.492 204 HB3 PRO 32 HB3 PRO 32 -5.822 4.258 -12.378 205 HG2 PRO 32 HG2 PRO 32 -3.068 4.958 -12.700 206 HG3 PRO 32 HG3 PRO 32 -4.337 5.968 -12.506 207 HD2 PRO 32 HD2 PRO 32 -2.817 5.300 -10.470 208 HD3 PRO 32 HD3 PRO 32 -4.400 5.642 -10.258 209 H LEU 33 H LEU 33 -4.715 1.021 -13.274 210 HA LEU 33 HA LEU 33 -1.887 0.768 -13.774 211 HB2 LEU 33 HB2 LEU 33 -3.672 -1.380 -13.134 212 HB3 LEU 33 HB3 LEU 33 -2.356 -1.679 -14.055 213 HG LEU 33 HG LEU 33 -2.149 -0.604 -11.400 214 HD11 LEU 33 HD11 LEU 33 -1.627 -2.823 -10.648 215 HD12 LEU 33 HD12 LEU 33 -1.940 -3.398 -12.126 216 HD13 LEU 33 HD13 LEU 33 -3.134 -2.773 -11.233 217 HD21 LEU 33 HD21 LEU 33 0.147 -1.318 -11.549 218 HD22 LEU 33 HD22 LEU 33 -0.185 -0.278 -12.742 219 HD23 LEU 33 HD23 LEU 33 -0.117 -1.865 -13.048 220 H ASN 34 H ASN 34 -1.374 0.734 -15.967 221 HA ASN 34 HA ASN 34 -3.647 0.591 -17.733 222 HB2 ASN 34 HB2 ASN 34 -2.346 2.639 -17.770 223 HB3 ASN 34 HB3 ASN 34 -1.109 1.778 -18.398 224 HD21 ASN 34 HD21 ASN 34 -3.926 3.252 -20.746 225 HD22 ASN 34 HD22 ASN 34 -3.797 3.587 -19.052 226 H GLY 35 H GLY 35 -3.883 -1.082 -19.191 227 HA2 GLY 35 HA2 GLY 35 -3.145 -2.727 -20.557 228 HA3 GLY 35 HA3 GLY 35 -1.597 -2.279 -20.289 229 H TRP 36 H TRP 36 -3.527 -3.045 -17.575 230 HA TRP 36 HA TRP 36 -1.754 -4.966 -16.704 231 HB2 TRP 36 HB2 TRP 36 -3.431 -5.492 -15.037 232 HB3 TRP 36 HB3 TRP 36 -3.022 -3.913 -15.111 233 HD1 TRP 36 HD1 TRP 36 -5.432 -4.830 -17.694 234 HE1 TRP 36 HE1 TRP 36 -7.766 -4.013 -17.216 235 HE3 TRP 36 HE3 TRP 36 -4.689 -3.516 -12.936 236 HZ2 TRP 36 HZ2 TRP 36 -9.026 -2.910 -14.973 237 HZ3 TRP 36 HZ3 TRP 36 -6.531 -2.636 -11.670 238 HH2 TRP 36 HH2 TRP 36 -8.670 -2.331 -12.695 239 H ALA 37 H ALA 37 -2.008 -7.267 -16.284 240 HA ALA 37 HA ALA 37 -3.313 -8.439 -18.555 241 HB1 ALA 37 HB1 ALA 37 -0.924 -8.307 -18.947 242 HB2 ALA 37 HB2 ALA 37 -1.358 -9.862 -18.857 243 HB3 ALA 37 HB3 ALA 37 -0.650 -9.146 -17.592 244 H VAL 38 H VAL 38 -4.621 -10.136 -18.239 245 HA VAL 38 HA VAL 38 -4.684 -11.327 -15.657 246 HB VAL 38 HB VAL 38 -6.482 -11.962 -17.868 247 HG11 VAL 38 HG11 VAL 38 -8.020 -12.644 -16.162 248 HG12 VAL 38 HG12 VAL 38 -6.939 -12.256 -15.023 249 HG13 VAL 38 HG13 VAL 38 -6.646 -13.486 -16.031 250 HG21 VAL 38 HG21 VAL 38 -8.002 -10.310 -17.064 251 HG22 VAL 38 HG22 VAL 38 -6.617 -9.612 -17.523 252 HG23 VAL 38 HG23 VAL 38 -6.922 -9.847 -15.953 253 H GLN 39 H GLN 39 -3.812 -13.351 -15.198 254 HA GLN 39 HA GLN 39 -3.096 -14.940 -17.489 255 HB2 GLN 39 HB2 GLN 39 -1.311 -14.951 -15.253 256 HB3 GLN 39 HB3 GLN 39 -0.959 -15.261 -16.817 257 HG2 GLN 39 HG2 GLN 39 -1.157 -12.900 -17.257 258 HG3 GLN 39 HG3 GLN 39 -1.311 -12.663 -15.648 259 HE21 GLN 39 HE21 GLN 39 2.288 -12.946 -17.282 260 HE22 GLN 39 HE22 GLN 39 0.810 -12.799 -18.174 261 H TRP 40 H TRP 40 -3.421 -17.172 -17.300 262 HA TRP 40 HA TRP 40 -3.547 -18.329 -14.759 263 HB2 TRP 40 HB2 TRP 40 -5.783 -19.061 -14.729 264 HB3 TRP 40 HB3 TRP 40 -5.794 -17.440 -14.927 265 HD1 TRP 40 HD1 TRP 40 -6.754 -20.531 -16.697 266 HE1 TRP 40 HE1 TRP 40 -8.145 -20.103 -18.739 267 HE3 TRP 40 HE3 TRP 40 -6.149 -15.575 -16.835 268 HZ2 TRP 40 HZ2 TRP 40 -8.853 -17.784 -20.180 269 HZ3 TRP 40 HZ3 TRP 40 -7.192 -14.333 -18.602 270 HH2 TRP 40 HH2 TRP 40 -8.512 -15.435 -20.259 271 H GLN 41 H GLN 41 -4.291 -20.734 -14.878 272 HA GLN 41 HA GLN 41 -3.363 -21.886 -17.396 273 HB2 GLN 41 HB2 GLN 41 -1.859 -22.310 -15.598 274 HB3 GLN 41 HB3 GLN 41 -3.075 -23.014 -14.764 275 HG2 GLN 41 HG2 GLN 41 -3.193 -24.702 -16.436 276 HG3 GLN 41 HG3 GLN 41 -1.903 -24.024 -17.174 277 HE21 GLN 41 HE21 GLN 41 0.524 -25.492 -15.179 278 HE22 GLN 41 HE22 GLN 41 0.178 -24.468 -16.532 279 HA PRO 42 HA PRO 42 -7.472 -23.453 -17.292 280 HB2 PRO 42 HB2 PRO 42 -6.558 -25.862 -18.610 281 HB3 PRO 42 HB3 PRO 42 -7.756 -24.876 -19.122 282 HG2 PRO 42 HG2 PRO 42 -5.565 -24.892 -20.367 283 HG3 PRO 42 HG3 PRO 42 -6.327 -23.468 -20.124 284 HD2 PRO 42 HD2 PRO 42 -4.077 -24.514 -18.657 285 HD3 PRO 42 HD3 PRO 42 -4.296 -22.980 -19.174 286 H GLY 43 H GLY 43 -8.699 -24.489 -15.821 287 HA2 GLY 43 HA2 GLY 43 -7.215 -25.861 -13.848 288 HA3 GLY 43 HA3 GLY 43 -8.817 -25.546 -13.806 289 H GLY 44 H GLY 44 -7.936 -27.940 -12.874 290 HA2 GLY 44 HA2 GLY 44 -7.777 -29.941 -14.758 291 HA3 GLY 44 HA3 GLY 44 -8.207 -30.154 -13.197 292 H GLY 45 H GLY 45 -9.220 -30.692 -16.241 293 HA2 GLY 45 HA2 GLY 45 -11.284 -31.686 -16.636 294 HA3 GLY 45 HA3 GLY 45 -11.931 -30.934 -15.339 295 H THR 46 H THR 46 -10.185 -28.704 -16.995 296 HA THR 46 HA THR 46 -12.306 -28.089 -18.814 297 HB THR 46 HB THR 46 -12.277 -26.674 -16.628 298 HG1 THR 46 HG1 THR 46 -12.887 -25.707 -19.146 299 HG21 THR 46 HG21 THR 46 -11.196 -24.586 -16.969 300 HG22 THR 46 HG22 THR 46 -10.588 -25.106 -18.374 301 HG23 THR 46 HG23 THR 46 -10.084 -25.760 -16.984 302 H THR 47 H THR 47 -11.717 -26.673 -20.647 303 HA THR 47 HA THR 47 -8.960 -25.948 -20.802 304 HB THR 47 HB THR 47 -9.009 -28.101 -21.906 305 HG1 THR 47 HG1 THR 47 -7.392 -26.670 -22.425 306 HG21 THR 47 HG21 THR 47 -10.014 -28.238 -24.085 307 HG22 THR 47 HG22 THR 47 -10.593 -26.736 -23.929 308 HG23 THR 47 HG23 THR 47 -11.170 -27.926 -22.998 309 H LEU 48 H LEU 48 -8.655 -24.374 -22.766 310 HA LEU 48 HA LEU 48 -11.176 -23.075 -23.259 311 HB2 LEU 48 HB2 LEU 48 -10.148 -20.932 -23.080 312 HB3 LEU 48 HB3 LEU 48 -10.009 -21.764 -21.682 313 HG LEU 48 HG LEU 48 -7.717 -22.284 -22.913 314 HD11 LEU 48 HD11 LEU 48 -6.844 -20.180 -23.608 315 HD12 LEU 48 HD12 LEU 48 -8.287 -19.490 -23.371 316 HD13 LEU 48 HD13 LEU 48 -8.098 -20.589 -24.543 317 HD21 LEU 48 HD21 LEU 48 -6.796 -20.881 -21.188 318 HD22 LEU 48 HD22 LEU 48 -7.990 -21.784 -20.576 319 HD23 LEU 48 HD23 LEU 48 -8.255 -20.230 -20.935 320 H GLY 49 H GLY 49 -11.278 -21.581 -25.150 321 HA2 GLY 49 HA2 GLY 49 -9.612 -22.646 -27.259 322 HA3 GLY 49 HA3 GLY 49 -11.130 -22.086 -27.480 323 H GLY 50 H GLY 50 -11.568 -19.878 -27.705 324 HA2 GLY 50 HA2 GLY 50 -9.173 -18.330 -28.172 325 HA3 GLY 50 HA3 GLY 50 -10.591 -18.100 -28.948 326 H VAL 51 H VAL 51 -9.302 -15.979 -27.883 327 HA VAL 51 HA VAL 51 -10.992 -15.283 -25.637 328 HB VAL 51 HB VAL 51 -8.329 -14.233 -26.054 329 HG11 VAL 51 HG11 VAL 51 -8.545 -13.256 -23.881 330 HG12 VAL 51 HG12 VAL 51 -10.059 -13.815 -23.776 331 HG13 VAL 51 HG13 VAL 51 -9.689 -12.681 -24.869 332 HG21 VAL 51 HG21 VAL 51 -7.656 -15.565 -24.162 333 HG22 VAL 51 HG22 VAL 51 -8.192 -16.522 -25.350 334 HG23 VAL 51 HG23 VAL 51 -9.140 -16.201 -24.080 335 H TRP 52 H TRP 52 -11.991 -13.195 -25.700 336 HA TRP 52 HA TRP 52 -11.566 -11.751 -28.135 337 HB2 TRP 52 HB2 TRP 52 -14.091 -11.462 -28.182 338 HB3 TRP 52 HB3 TRP 52 -13.466 -12.854 -28.764 339 HD1 TRP 52 HD1 TRP 52 -13.907 -15.071 -27.341 340 HE1 TRP 52 HE1 TRP 52 -15.629 -15.748 -25.638 341 HE3 TRP 52 HE3 TRP 52 -15.455 -10.477 -26.173 342 HZ2 TRP 52 HZ2 TRP 52 -17.395 -14.327 -23.979 343 HZ3 TRP 52 HZ3 TRP 52 -17.183 -10.222 -24.527 344 HH2 TRP 52 HH2 TRP 52 -18.133 -12.129 -23.444 345 H ASN 53 H ASN 53 -12.422 -9.540 -28.238 346 HA ASN 53 HA ASN 53 -12.574 -7.532 -27.380 347 HB2 ASN 53 HB2 ASN 53 -14.527 -8.527 -26.228 348 HB3 ASN 53 HB3 ASN 53 -13.596 -8.592 -24.887 349 HD21 ASN 53 HD21 ASN 53 -15.313 -5.645 -24.126 350 HD22 ASN 53 HD22 ASN 53 -15.284 -7.358 -23.874 351 H GLY 54 H GLY 54 -10.066 -8.662 -27.201 352 HA2 GLY 54 HA2 GLY 54 -8.776 -6.847 -25.586 353 HA3 GLY 54 HA3 GLY 54 -8.844 -8.250 -24.753 354 H SER 55 H SER 55 -6.345 -7.555 -25.215 355 HA SER 55 HA SER 55 -5.541 -8.779 -27.686 356 HB2 SER 55 HB2 SER 55 -3.912 -7.227 -25.843 357 HB3 SER 55 HB3 SER 55 -3.397 -7.756 -27.299 358 HG SER 55 HG SER 55 -4.813 -6.429 -28.317 359 H LEU 56 H LEU 56 -3.779 -10.419 -27.704 360 HA LEU 56 HA LEU 56 -3.927 -11.971 -25.287 361 HB2 LEU 56 HB2 LEU 56 -3.912 -12.874 -28.040 362 HB3 LEU 56 HB3 LEU 56 -3.651 -13.922 -26.815 363 HG LEU 56 HG LEU 56 -5.933 -13.297 -26.082 364 HD11 LEU 56 HD11 LEU 56 -7.435 -12.650 -27.826 365 HD12 LEU 56 HD12 LEU 56 -6.187 -12.471 -28.839 366 HD13 LEU 56 HD13 LEU 56 -6.341 -11.488 -27.565 367 HD21 LEU 56 HD21 LEU 56 -6.839 -15.060 -27.518 368 HD22 LEU 56 HD22 LEU 56 -5.377 -15.491 -26.979 369 HD23 LEU 56 HD23 LEU 56 -5.550 -14.925 -28.484 370 H THR 57 H THR 57 -2.076 -12.907 -24.434 371 HA THR 57 HA THR 57 0.189 -13.145 -26.179 372 HB THR 57 HB THR 57 1.703 -12.588 -24.319 373 HG1 THR 57 HG1 THR 57 -0.671 -11.912 -23.160 374 HG21 THR 57 HG21 THR 57 1.508 -10.200 -24.627 375 HG22 THR 57 HG22 THR 57 0.017 -10.385 -25.226 376 HG23 THR 57 HG23 THR 57 1.296 -10.923 -26.058 377 H SER 58 H SER 58 1.866 -14.730 -24.961 378 HA SER 58 HA SER 58 0.400 -16.645 -23.430 379 HB2 SER 58 HB2 SER 58 0.154 -17.458 -25.671 380 HB3 SER 58 HB3 SER 58 1.777 -17.467 -25.852 381 HG SER 58 HG SER 58 1.094 -18.893 -23.753 382 H GLY 59 H GLY 59 1.729 -18.213 -22.223 383 HA2 GLY 59 HA2 GLY 59 4.385 -17.170 -21.825 384 HA3 GLY 59 HA3 GLY 59 3.566 -18.100 -20.761 385 H SER 60 H SER 60 6.160 -18.712 -21.305 386 HA SER 60 HA SER 60 6.388 -20.569 -23.348 387 HB2 SER 60 HB2 SER 60 8.104 -20.487 -20.980 388 HB3 SER 60 HB3 SER 60 8.562 -21.004 -22.461 389 HG SER 60 HG SER 60 9.382 -19.054 -22.378 390 H ASP 61 H ASP 61 4.996 -20.809 -20.360 391 HA ASP 61 HA ASP 61 5.296 -23.629 -20.140 392 HB2 ASP 61 HB2 ASP 61 5.210 -21.893 -18.260 393 HB3 ASP 61 HB3 ASP 61 3.600 -22.151 -18.363 394 H GLY 62 H GLY 62 3.620 -22.040 -22.164 395 HA2 GLY 62 HA2 GLY 62 1.885 -22.798 -23.423 396 HA3 GLY 62 HA3 GLY 62 1.599 -24.004 -22.360 397 H THR 63 H THR 63 1.751 -21.305 -20.597 398 HA THR 63 HA THR 63 -1.019 -21.305 -20.164 399 HB THR 63 HB THR 63 -0.507 -19.573 -18.479 400 HG1 THR 63 HG1 THR 63 2.142 -20.020 -19.031 401 HG21 THR 63 HG21 THR 63 0.733 -21.039 -17.024 402 HG22 THR 63 HG22 THR 63 1.168 -21.949 -18.288 403 HG23 THR 63 HG23 THR 63 -0.377 -21.911 -17.812 404 H VAL 64 H VAL 64 -2.346 -19.245 -20.061 405 HA VAL 64 HA VAL 64 -1.687 -17.711 -22.379 406 HB VAL 64 HB VAL 64 -4.136 -17.387 -22.689 407 HG11 VAL 64 HG11 VAL 64 -4.539 -19.560 -23.603 408 HG12 VAL 64 HG12 VAL 64 -3.260 -20.141 -22.803 409 HG13 VAL 64 HG13 VAL 64 -3.049 -19.065 -23.991 410 HG21 VAL 64 HG21 VAL 64 -5.620 -18.794 -21.483 411 HG22 VAL 64 HG22 VAL 64 -4.839 -17.807 -20.468 412 HG23 VAL 64 HG23 VAL 64 -4.386 -19.354 -20.600 413 H THR 65 H THR 65 -2.469 -15.479 -22.549 414 HA THR 65 HA THR 65 -3.015 -14.248 -20.044 415 HB THR 65 HB THR 65 -0.606 -13.590 -21.550 416 HG1 THR 65 HG1 THR 65 -0.296 -13.957 -18.946 417 HG21 THR 65 HG21 THR 65 -0.198 -11.819 -20.016 418 HG22 THR 65 HG22 THR 65 -1.608 -12.104 -19.278 419 HG23 THR 65 HG23 THR 65 -1.588 -11.530 -20.790 420 H VAL 66 H VAL 66 -4.244 -12.390 -20.148 421 HA VAL 66 HA VAL 66 -4.787 -11.406 -22.797 422 HB VAL 66 HB VAL 66 -6.795 -11.302 -20.695 423 HG11 VAL 66 HG11 VAL 66 -8.346 -11.090 -22.506 424 HG12 VAL 66 HG12 VAL 66 -7.133 -11.203 -23.568 425 HG13 VAL 66 HG13 VAL 66 -7.236 -9.918 -22.592 426 HG21 VAL 66 HG21 VAL 66 -7.752 -13.342 -21.509 427 HG22 VAL 66 HG22 VAL 66 -6.260 -13.619 -20.953 428 HG23 VAL 66 HG23 VAL 66 -6.523 -13.515 -22.545 429 H ARG 67 H ARG 67 -4.590 -9.153 -23.112 430 HA ARG 67 HA ARG 67 -4.551 -7.523 -20.780 431 HB2 ARG 67 HB2 ARG 67 -2.398 -6.605 -21.176 432 HB3 ARG 67 HB3 ARG 67 -2.262 -8.226 -21.028 433 HG2 ARG 67 HG2 ARG 67 -2.073 -8.426 -23.370 434 HG3 ARG 67 HG3 ARG 67 -2.217 -6.807 -23.522 435 HD2 ARG 67 HD2 ARG 67 -0.209 -6.520 -22.255 436 HD3 ARG 67 HD3 ARG 67 -0.058 -8.143 -22.143 437 HE ARG 67 HE ARG 67 -0.150 -7.467 -24.819 438 HH11 ARG 67 HH11 ARG 67 2.024 -7.245 -22.055 439 HH12 ARG 67 HH12 ARG 67 3.443 -7.222 -23.048 440 HH21 ARG 67 HH21 ARG 67 1.708 -7.451 -26.053 441 HH22 ARG 67 HH22 ARG 67 3.263 -7.338 -25.300 442 H ASN 68 H ASN 68 -4.018 -5.148 -21.332 443 HA ASN 68 HA ASN 68 -4.535 -3.357 -22.448 444 HB2 ASN 68 HB2 ASN 68 -3.855 -4.999 -24.735 445 HB3 ASN 68 HB3 ASN 68 -4.210 -3.420 -24.949 446 HD21 ASN 68 HD21 ASN 68 -0.690 -3.119 -24.849 447 HD22 ASN 68 HD22 ASN 68 -2.006 -3.415 -25.936 448 H VAL 69 H VAL 69 -6.715 -3.337 -21.674 449 HA VAL 69 HA VAL 69 -8.795 -4.192 -23.249 450 HB VAL 69 HB VAL 69 -8.730 -2.077 -21.257 451 HG11 VAL 69 HG11 VAL 69 -11.128 -2.058 -21.269 452 HG12 VAL 69 HG12 VAL 69 -11.131 -3.106 -22.500 453 HG13 VAL 69 HG13 VAL 69 -10.560 -1.609 -22.715 454 HG21 VAL 69 HG21 VAL 69 -9.856 -3.641 -19.826 455 HG22 VAL 69 HG22 VAL 69 -8.449 -4.263 -20.326 456 HG23 VAL 69 HG23 VAL 69 -9.834 -4.745 -21.008 457 H ASP 70 H ASP 70 -9.575 -3.454 -25.198 458 HA ASP 70 HA ASP 70 -8.595 -0.922 -26.072 459 HB2 ASP 70 HB2 ASP 70 -9.426 -1.589 -28.246 460 HB3 ASP 70 HB3 ASP 70 -8.400 -2.699 -27.627 461 H HIS 71 H HIS 71 -11.458 -2.336 -24.938 462 HA HIS 71 HA HIS 71 -13.134 -0.473 -26.187 463 HB2 HIS 71 HB2 HIS 71 -14.959 -1.634 -25.077 464 HB3 HIS 71 HB3 HIS 71 -13.958 -2.699 -25.806 465 HD1 HIS 71 HD1 HIS 71 -14.793 -1.389 -22.429 466 HD2 HIS 71 HD2 HIS 71 -12.934 -4.613 -24.121 467 HE1 HIS 71 HE1 HIS 71 -14.326 -3.038 -20.636 468 HE2 HIS 71 HE2 HIS 71 -13.219 -5.019 -21.636 469 H ASN 72 H ASN 72 -11.174 0.311 -23.959 470 HA ASN 72 HA ASN 72 -12.993 2.331 -22.999 471 HB2 ASN 72 HB2 ASN 72 -12.177 2.322 -20.848 472 HB3 ASN 72 HB3 ASN 72 -12.462 0.754 -21.206 473 HD21 ASN 72 HD21 ASN 72 -9.078 1.365 -19.621 474 HD22 ASN 72 HD22 ASN 72 -10.640 2.015 -19.248 475 H ARG 73 H ARG 73 -11.005 2.067 -25.176 476 HA ARG 73 HA ARG 73 -8.695 3.332 -24.592 477 HB2 ARG 73 HB2 ARG 73 -9.239 2.256 -26.727 478 HB3 ARG 73 HB3 ARG 73 -10.143 3.559 -27.118 479 HG2 ARG 73 HG2 ARG 73 -8.203 4.887 -27.223 480 HG3 ARG 73 HG3 ARG 73 -7.290 3.600 -26.800 481 HD2 ARG 73 HD2 ARG 73 -7.881 2.495 -28.812 482 HD3 ARG 73 HD3 ARG 73 -8.853 3.740 -29.227 483 HE ARG 73 HE ARG 73 -6.300 4.730 -28.843 484 HH11 ARG 73 HH11 ARG 73 -4.986 5.255 -30.588 485 HH12 ARG 73 HH12 ARG 73 -5.312 4.592 -32.155 486 HH21 ARG 73 HH21 ARG 73 -8.122 2.792 -31.122 487 HH22 ARG 73 HH22 ARG 73 -7.094 3.192 -32.457 488 H VAL 74 H VAL 74 -11.715 4.804 -24.787 489 HA VAL 74 HA VAL 74 -10.852 7.335 -25.473 490 HB VAL 74 HB VAL 74 -13.316 6.707 -24.023 491 HG11 VAL 74 HG11 VAL 74 -14.244 8.695 -24.942 492 HG12 VAL 74 HG12 VAL 74 -12.830 9.035 -25.648 493 HG13 VAL 74 HG13 VAL 74 -12.952 9.042 -24.035 494 HG21 VAL 74 HG21 VAL 74 -14.406 6.536 -26.185 495 HG22 VAL 74 HG22 VAL 74 -13.229 5.432 -26.079 496 HG23 VAL 74 HG23 VAL 74 -12.989 6.791 -26.921 497 H VAL 75 H VAL 75 -11.347 5.812 -22.418 498 HA VAL 75 HA VAL 75 -10.170 8.076 -21.124 499 HB VAL 75 HB VAL 75 -12.414 6.603 -19.982 500 HG11 VAL 75 HG11 VAL 75 -12.413 8.267 -18.245 501 HG12 VAL 75 HG12 VAL 75 -11.122 8.974 -18.915 502 HG13 VAL 75 HG13 VAL 75 -10.991 7.499 -18.267 503 HG21 VAL 75 HG21 VAL 75 -13.738 8.562 -20.377 504 HG22 VAL 75 HG22 VAL 75 -13.173 7.987 -21.778 505 HG23 VAL 75 HG23 VAL 75 -12.478 9.276 -21.095 506 HA PRO 76 HA PRO 76 -7.627 4.840 -19.551 507 HB2 PRO 76 HB2 PRO 76 -6.175 6.191 -17.758 508 HB3 PRO 76 HB3 PRO 76 -5.838 6.334 -19.350 509 HG2 PRO 76 HG2 PRO 76 -7.396 8.077 -17.731 510 HG3 PRO 76 HG3 PRO 76 -6.224 8.475 -18.797 511 HD2 PRO 76 HD2 PRO 76 -8.700 8.660 -19.500 512 HD3 PRO 76 HD3 PRO 76 -7.591 8.161 -20.590 513 HA PRO 77 HA PRO 77 -9.948 3.389 -16.513 514 HB2 PRO 77 HB2 PRO 77 -8.537 1.334 -15.479 515 HB3 PRO 77 HB3 PRO 77 -9.072 1.238 -17.019 516 HG2 PRO 77 HG2 PRO 77 -6.482 2.035 -16.115 517 HG3 PRO 77 HG3 PRO 77 -6.844 1.001 -17.327 518 HD2 PRO 77 HD2 PRO 77 -6.223 3.468 -17.854 519 HD3 PRO 77 HD3 PRO 77 -7.321 2.685 -18.774 520 H ASP 78 H ASP 78 -10.826 3.785 -14.688 521 HA ASP 78 HA ASP 78 -9.015 4.146 -12.477 522 HB2 ASP 78 HB2 ASP 78 -10.315 5.924 -11.638 523 HB3 ASP 78 HB3 ASP 78 -9.917 6.275 -13.183 524 H GLY 79 H GLY 79 -10.781 1.958 -13.573 525 HA2 GLY 79 HA2 GLY 79 -12.108 1.169 -11.216 526 HA3 GLY 79 HA3 GLY 79 -13.146 1.720 -12.349 527 H SER 80 H SER 80 -14.139 -0.444 -12.399 528 HA SER 80 HA SER 80 -12.410 -2.524 -13.203 529 HB2 SER 80 HB2 SER 80 -14.801 -3.667 -13.233 530 HB3 SER 80 HB3 SER 80 -14.002 -3.443 -11.827 531 HG SER 80 HG SER 80 -15.085 -1.252 -12.052 532 H VAL 81 H VAL 81 -12.473 -3.832 -15.022 533 HA VAL 81 HA VAL 81 -14.105 -2.989 -17.204 534 HB VAL 81 HB VAL 81 -12.047 -3.178 -18.672 535 HG11 VAL 81 HG11 VAL 81 -11.766 -0.790 -18.579 536 HG12 VAL 81 HG12 VAL 81 -12.572 -0.748 -17.178 537 HG13 VAL 81 HG13 VAL 81 -13.338 -1.164 -18.540 538 HG21 VAL 81 HG21 VAL 81 -10.057 -2.342 -17.620 539 HG22 VAL 81 HG22 VAL 81 -10.501 -3.739 -16.937 540 HG23 VAL 81 HG23 VAL 81 -10.811 -2.339 -16.189 541 H THR 82 H THR 82 -14.005 -4.735 -19.024 542 HA THR 82 HA THR 82 -13.391 -7.209 -17.744 543 HB THR 82 HB THR 82 -15.825 -6.770 -17.661 544 HG1 THR 82 HG1 THR 82 -16.487 -8.789 -18.354 545 HG21 THR 82 HG21 THR 82 -17.096 -6.901 -19.689 546 HG22 THR 82 HG22 THR 82 -15.739 -7.079 -20.550 547 HG23 THR 82 HG23 THR 82 -16.051 -5.674 -19.813 548 H PHE 83 H PHE 83 -13.182 -9.148 -18.977 549 HA PHE 83 HA PHE 83 -12.533 -8.766 -21.771 550 HB2 PHE 83 HB2 PHE 83 -11.143 -10.420 -19.862 551 HB3 PHE 83 HB3 PHE 83 -10.905 -10.557 -21.472 552 HD1 PHE 83 HD1 PHE 83 -9.953 -8.591 -22.714 553 HD2 PHE 83 HD2 PHE 83 -9.931 -8.852 -18.596 554 HE1 PHE 83 HE1 PHE 83 -8.207 -6.950 -22.631 555 HE2 PHE 83 HE2 PHE 83 -8.207 -7.209 -18.498 556 HZ PHE 83 HZ PHE 83 -7.311 -6.277 -20.512 557 H GLY 84 H GLY 84 -12.635 -11.161 -22.884 558 HA2 GLY 84 HA2 GLY 84 -14.196 -12.984 -21.361 559 HA3 GLY 84 HA3 GLY 84 -14.967 -12.393 -22.674 560 H PHE 85 H PHE 85 -14.477 -15.126 -22.252 561 HA PHE 85 HA PHE 85 -12.961 -15.647 -24.599 562 HB2 PHE 85 HB2 PHE 85 -11.539 -17.264 -23.588 563 HB3 PHE 85 HB3 PHE 85 -11.309 -15.804 -22.894 564 HD1 PHE 85 HD1 PHE 85 -11.797 -15.444 -20.565 565 HD2 PHE 85 HD2 PHE 85 -12.739 -19.049 -22.360 566 HE1 PHE 85 HE1 PHE 85 -12.101 -16.440 -18.410 567 HE2 PHE 85 HE2 PHE 85 -13.091 -20.031 -20.208 568 HZ PHE 85 HZ PHE 85 -12.752 -18.733 -18.230 569 H THR 86 H THR 86 -13.021 -18.086 -25.203 570 HA THR 86 HA THR 86 -15.528 -19.199 -24.291 571 HB THR 86 HB THR 86 -15.713 -18.684 -26.628 572 HG1 THR 86 HG1 THR 86 -16.992 -20.277 -26.475 573 HG21 THR 86 HG21 THR 86 -14.312 -19.805 -28.230 574 HG22 THR 86 HG22 THR 86 -13.500 -20.531 -27.035 575 HG23 THR 86 HG23 THR 86 -13.375 -18.932 -27.244 576 H ALA 87 H ALA 87 -15.650 -21.553 -24.007 577 HA ALA 87 HA ALA 87 -13.134 -22.841 -23.740 578 HB1 ALA 87 HB1 ALA 87 -13.294 -21.606 -21.674 579 HB2 ALA 87 HB2 ALA 87 -13.382 -23.189 -21.355 580 HB3 ALA 87 HB3 ALA 87 -14.726 -22.291 -21.367 581 H THR 88 H THR 88 -13.321 -25.075 -22.833 582 HA THR 88 HA THR 88 -15.904 -26.233 -23.361 583 HB THR 88 HB THR 88 -14.423 -28.178 -24.306 584 HG1 THR 88 HG1 THR 88 -12.530 -27.590 -24.896 585 HG21 THR 88 HG21 THR 88 -14.941 -27.428 -26.509 586 HG22 THR 88 HG22 THR 88 -15.249 -25.942 -25.950 587 HG23 THR 88 HG23 THR 88 -16.223 -27.172 -25.557 588 H SER 89 H SER 89 -16.359 -28.129 -22.053 589 HA SER 89 HA SER 89 -14.598 -28.407 -19.821 590 HB2 SER 89 HB2 SER 89 -16.953 -28.395 -19.354 591 HB3 SER 89 HB3 SER 89 -17.146 -29.737 -20.265 592 HG SER 89 HG SER 89 -16.189 -29.488 -17.763 593 H THR 90 H THR 90 -13.360 -30.219 -19.305 594 HA THR 90 HA THR 90 -13.381 -32.309 -21.270 595 HB THR 90 HB THR 90 -11.011 -32.691 -20.713 596 HG1 THR 90 HG1 THR 90 -10.793 -30.306 -19.480 597 HG21 THR 90 HG21 THR 90 -10.154 -30.748 -21.849 598 HG22 THR 90 HG22 THR 90 -11.546 -29.965 -21.592 599 HG23 THR 90 HG23 THR 90 -11.504 -31.228 -22.600 600 H GLY 91 H GLY 91 -14.595 -31.670 -18.470 601 HA2 GLY 91 HA2 GLY 91 -14.974 -34.195 -17.593 602 HA3 GLY 91 HA3 GLY 91 -13.635 -33.692 -16.806 603 H ASN 92 H ASN 92 -14.352 -30.966 -16.485 604 HA ASN 92 HA ASN 92 -16.587 -31.236 -14.697 605 HB2 ASN 92 HB2 ASN 92 -14.082 -29.953 -14.017 606 HB3 ASN 92 HB3 ASN 92 -15.407 -29.862 -13.066 607 HD21 ASN 92 HD21 ASN 92 -15.254 -33.163 -11.851 608 HD22 ASN 92 HD22 ASN 92 -16.345 -31.863 -12.196 609 H ASP 93 H ASP 93 -17.964 -29.456 -14.403 610 HA ASP 93 HA ASP 93 -17.542 -27.354 -16.344 611 HB2 ASP 93 HB2 ASP 93 -19.558 -28.906 -16.424 612 HB3 ASP 93 HB3 ASP 93 -20.145 -27.925 -15.258 613 H PHE 94 H PHE 94 -17.396 -27.948 -13.150 614 HA PHE 94 HA PHE 94 -18.421 -25.513 -12.199 615 HB2 PHE 94 HB2 PHE 94 -16.737 -27.499 -10.945 616 HB3 PHE 94 HB3 PHE 94 -17.212 -26.161 -10.139 617 HD1 PHE 94 HD1 PHE 94 -19.863 -25.788 -10.258 618 HD2 PHE 94 HD2 PHE 94 -17.927 -29.434 -10.482 619 HE1 PHE 94 HE1 PHE 94 -21.873 -26.895 -9.588 620 HE2 PHE 94 HE2 PHE 94 -19.913 -30.540 -9.793 621 HZ PHE 94 HZ PHE 94 -21.886 -29.275 -9.310 622 HA PRO 95 HA PRO 95 -14.640 -23.196 -12.689 623 HB2 PRO 95 HB2 PRO 95 -14.708 -21.523 -10.624 624 HB3 PRO 95 HB3 PRO 95 -15.678 -21.235 -11.906 625 HG2 PRO 95 HG2 PRO 95 -16.340 -22.513 -9.465 626 HG3 PRO 95 HG3 PRO 95 -17.164 -21.337 -10.244 627 HD2 PRO 95 HD2 PRO 95 -17.904 -23.817 -10.501 628 HD3 PRO 95 HD3 PRO 95 -18.032 -22.800 -11.772 629 H VAL 96 H VAL 96 -12.583 -23.706 -12.236 630 HA VAL 96 HA VAL 96 -12.420 -25.610 -10.111 631 HB VAL 96 HB VAL 96 -10.528 -25.212 -12.267 632 HG11 VAL 96 HG11 VAL 96 -9.547 -27.299 -11.614 633 HG12 VAL 96 HG12 VAL 96 -10.564 -27.390 -10.360 634 HG13 VAL 96 HG13 VAL 96 -9.439 -26.229 -10.406 635 HG21 VAL 96 HG21 VAL 96 -11.473 -27.202 -13.242 636 HG22 VAL 96 HG22 VAL 96 -12.609 -26.060 -13.103 637 HG23 VAL 96 HG23 VAL 96 -12.554 -27.279 -12.042 638 H ASP 97 H ASP 97 -10.746 -22.813 -11.330 639 HA ASP 97 HA ASP 97 -9.597 -22.355 -8.746 640 HB2 ASP 97 HB2 ASP 97 -7.425 -21.988 -9.638 641 HB3 ASP 97 HB3 ASP 97 -7.911 -23.507 -9.987 642 H SER 98 H SER 98 -8.747 -20.115 -8.428 643 HA SER 98 HA SER 98 -10.371 -18.295 -9.936 644 HB2 SER 98 HB2 SER 98 -8.839 -17.721 -7.540 645 HB3 SER 98 HB3 SER 98 -9.960 -16.730 -8.195 646 HG SER 98 HG SER 98 -11.488 -18.411 -7.793 647 H ILE 99 H ILE 99 -9.544 -16.457 -11.024 648 HA ILE 99 HA ILE 99 -6.825 -16.805 -11.749 649 HB ILE 99 HB ILE 99 -7.270 -15.776 -13.833 650 HG12 ILE 99 HG12 ILE 99 -8.579 -13.988 -13.110 651 HG13 ILE 99 HG13 ILE 99 -9.239 -14.718 -14.413 652 HG21 ILE 99 HG21 ILE 99 -8.994 -17.196 -14.736 653 HG22 ILE 99 HG22 ILE 99 -9.473 -17.566 -13.236 654 HG23 ILE 99 HG23 ILE 99 -8.021 -18.044 -13.762 655 HD11 ILE 99 HD11 ILE 99 -10.944 -14.126 -12.857 656 HD12 ILE 99 HD12 ILE 99 -10.229 -15.014 -11.711 657 HD13 ILE 99 HD13 ILE 99 -10.882 -15.736 -13.001 658 H GLY 100 H GLY 100 -5.482 -14.833 -12.304 659 HA2 GLY 100 HA2 GLY 100 -6.280 -12.563 -10.703 660 HA3 GLY 100 HA3 GLY 100 -4.821 -13.248 -10.439 661 H CYS 101 H CYS 101 -4.540 -10.704 -10.952 662 HA CYS 101 HA CYS 101 -3.605 -10.697 -13.650 663 HB2 CYS 101 HB2 CYS 101 -4.557 -8.520 -14.004 664 HB3 CYS 101 HB3 CYS 101 -5.645 -9.735 -13.922 665 H VAL 102 H VAL 102 -1.962 -9.271 -14.219 666 HA VAL 102 HA VAL 102 -0.594 -8.166 -11.947 667 HB VAL 102 HB VAL 102 1.518 -8.998 -12.821 668 HG11 VAL 102 HG11 VAL 102 1.222 -11.268 -12.160 669 HG12 VAL 102 HG12 VAL 102 -0.383 -11.091 -12.250 670 HG13 VAL 102 HG13 VAL 102 0.458 -10.283 -11.130 671 HG21 VAL 102 HG21 VAL 102 1.500 -10.630 -14.567 672 HG22 VAL 102 HG22 VAL 102 0.913 -9.227 -15.116 673 HG23 VAL 102 HG23 VAL 102 -0.095 -10.434 -14.743 674 H ALA 103 H ALA 103 1.237 -6.602 -12.585 675 HA ALA 103 HA ALA 103 0.412 -4.841 -14.588 676 HB1 ALA 103 HB1 ALA 103 1.736 -4.056 -12.737 677 HB2 ALA 103 HB2 ALA 103 2.512 -3.703 -14.111 678 HB3 ALA 103 HB3 ALA 103 2.981 -4.968 -13.220 679 HA PRO 104 HA PRO 104 2.495 -6.717 -17.921 680 HB2 PRO 104 HB2 PRO 104 2.741 -4.755 -19.696 681 HB3 PRO 104 HB3 PRO 104 1.237 -5.290 -19.350 682 HG2 PRO 104 HG2 PRO 104 2.568 -3.006 -18.281 683 HG3 PRO 104 HG3 PRO 104 1.037 -3.102 -18.841 684 HD2 PRO 104 HD2 PRO 104 1.560 -3.248 -16.281 685 HD3 PRO 104 HD3 PRO 104 0.272 -4.016 -16.928 Start of MODEL 14 1 H1 HIS 1 H1 HIS 1 0.482 -4.622 4.190 2 H2 HIS 1 H2 HIS 1 0.273 -5.861 3.172 3 H3 HIS 1 H3 HIS 1 -0.968 -4.887 3.526 4 HA HIS 1 HA HIS 1 0.093 -3.099 2.436 5 HB2 HIS 1 HB2 HIS 1 2.343 -3.879 2.860 6 HB3 HIS 1 HB3 HIS 1 2.157 -4.930 1.624 7 HD1 HIS 1 HD1 HIS 1 2.467 -1.256 2.272 8 HD2 HIS 1 HD2 HIS 1 2.665 -3.894 -0.855 9 HE1 HIS 1 HE1 HIS 1 3.265 -0.031 0.268 10 HE2 HIS 1 HE2 HIS 1 3.370 -1.599 -1.644 11 H THR 2 H THR 2 -0.638 -2.578 0.384 12 HA THR 2 HA THR 2 -2.202 -4.455 -0.894 13 HB THR 2 HB THR 2 -2.087 -2.627 -2.770 14 HG1 THR 2 HG1 THR 2 -0.180 -1.812 -1.516 15 HG21 THR 2 HG21 THR 2 -3.692 -1.297 -1.567 16 HG22 THR 2 HG22 THR 2 -3.240 -1.980 -0.172 17 HG23 THR 2 HG23 THR 2 -4.016 -2.856 -1.288 18 H GLY 3 H GLY 3 -1.963 -5.436 -3.042 19 HA2 GLY 3 HA2 GLY 3 0.795 -5.493 -3.920 20 HA3 GLY 3 HA3 GLY 3 -0.093 -6.861 -3.831 21 H SER 4 H SER 4 -2.019 -7.085 -5.210 22 HA SER 4 HA SER 4 -1.791 -5.460 -7.559 23 HB2 SER 4 HB2 SER 4 -0.996 -7.830 -7.841 24 HB3 SER 4 HB3 SER 4 -2.570 -8.255 -7.756 25 HG SER 4 HG SER 4 -2.108 -8.097 -9.844 26 H CYS 5 H CYS 5 -3.853 -6.157 -9.080 27 HA CYS 5 HA CYS 5 -6.077 -5.099 -7.741 28 HB2 CYS 5 HB2 CYS 5 -7.118 -5.598 -9.923 29 HB3 CYS 5 HB3 CYS 5 -5.899 -4.511 -9.910 30 H MET 6 H MET 6 -8.331 -6.236 -8.471 31 HA MET 6 HA MET 6 -8.179 -8.969 -7.515 32 HB2 MET 6 HB2 MET 6 -10.114 -7.012 -6.667 33 HB3 MET 6 HB3 MET 6 -10.159 -8.588 -6.240 34 HG2 MET 6 HG2 MET 6 -8.296 -8.399 -4.999 35 HG3 MET 6 HG3 MET 6 -7.970 -6.917 -5.603 36 HE1 MET 6 HE1 MET 6 -8.710 -6.130 -1.869 37 HE2 MET 6 HE2 MET 6 -7.618 -5.960 -3.050 38 HE3 MET 6 HE3 MET 6 -7.939 -7.427 -2.450 39 H ALA 7 H ALA 7 -9.830 -10.418 -8.348 40 HA ALA 7 HA ALA 7 -11.307 -9.316 -10.526 41 HB1 ALA 7 HB1 ALA 7 -9.282 -10.224 -11.500 42 HB2 ALA 7 HB2 ALA 7 -10.556 -11.064 -12.035 43 HB3 ALA 7 HB3 ALA 7 -9.622 -11.671 -10.863 44 H VAL 8 H VAL 8 -13.019 -10.624 -11.445 45 HA VAL 8 HA VAL 8 -13.957 -12.704 -9.670 46 HB VAL 8 HB VAL 8 -15.650 -10.683 -10.907 47 HG11 VAL 8 HG11 VAL 8 -17.509 -11.695 -9.789 48 HG12 VAL 8 HG12 VAL 8 -16.544 -12.866 -9.231 49 HG13 VAL 8 HG13 VAL 8 -16.838 -12.748 -10.816 50 HG21 VAL 8 HG21 VAL 8 -16.105 -9.933 -8.664 51 HG22 VAL 8 HG22 VAL 8 -14.523 -9.815 -8.976 52 HG23 VAL 8 HG23 VAL 8 -15.081 -11.042 -8.083 53 H TYR 9 H TYR 9 -14.867 -14.543 -10.728 54 HA TYR 9 HA TYR 9 -14.575 -14.458 -13.599 55 HB2 TYR 9 HB2 TYR 9 -12.897 -15.848 -12.701 56 HB3 TYR 9 HB3 TYR 9 -13.993 -16.653 -11.797 57 HD1 TYR 9 HD1 TYR 9 -15.665 -18.159 -12.984 58 HD2 TYR 9 HD2 TYR 9 -12.333 -16.615 -14.881 59 HE1 TYR 9 HE1 TYR 9 -15.847 -19.835 -14.668 60 HE2 TYR 9 HE2 TYR 9 -12.504 -18.311 -16.555 61 HH TYR 9 HH TYR 9 -14.303 -21.031 -16.290 62 H SER 10 H SER 10 -16.230 -15.194 -14.920 63 HA SER 10 HA SER 10 -18.380 -16.584 -13.634 64 HB2 SER 10 HB2 SER 10 -18.870 -14.291 -15.365 65 HB3 SER 10 HB3 SER 10 -20.033 -15.141 -14.595 66 HG SER 10 HG SER 10 -18.956 -13.049 -13.739 67 H VAL 11 H VAL 11 -19.737 -17.876 -15.032 68 HA VAL 11 HA VAL 11 -18.596 -18.411 -17.610 69 HB VAL 11 HB VAL 11 -20.749 -19.820 -16.257 70 HG11 VAL 11 HG11 VAL 11 -20.592 -21.468 -17.974 71 HG12 VAL 11 HG12 VAL 11 -19.489 -20.572 -18.745 72 HG13 VAL 11 HG13 VAL 11 -21.011 -20.043 -18.611 73 HG21 VAL 11 HG21 VAL 11 -19.136 -21.572 -15.919 74 HG22 VAL 11 HG22 VAL 11 -18.622 -20.212 -15.212 75 HG23 VAL 11 HG23 VAL 11 -17.999 -20.671 -16.632 76 H GLU 12 H GLU 12 -19.530 -17.710 -19.525 77 HA GLU 12 HA GLU 12 -21.634 -15.841 -19.220 78 HB2 GLU 12 HB2 GLU 12 -19.795 -15.295 -20.638 79 HB3 GLU 12 HB3 GLU 12 -20.096 -16.606 -21.563 80 HG2 GLU 12 HG2 GLU 12 -20.914 -14.950 -22.827 81 HG3 GLU 12 HG3 GLU 12 -22.257 -15.481 -22.065 82 H ASN 13 H ASN 13 -21.062 -18.696 -21.158 83 HA ASN 13 HA ASN 13 -23.764 -19.468 -21.151 84 HB2 ASN 13 HB2 ASN 13 -23.853 -17.723 -22.825 85 HB3 ASN 13 HB3 ASN 13 -22.745 -18.541 -23.702 86 HD21 ASN 13 HD21 ASN 13 -25.280 -19.947 -25.542 87 HD22 ASN 13 HD22 ASN 13 -23.884 -18.921 -25.538 88 H SER 14 H SER 14 -24.064 -21.597 -22.309 89 HA SER 14 HA SER 14 -21.575 -22.804 -23.042 90 HB2 SER 14 HB2 SER 14 -22.164 -24.783 -21.677 91 HB3 SER 14 HB3 SER 14 -21.866 -23.462 -20.765 92 HG SER 14 HG SER 14 -24.417 -23.975 -21.570 93 H TRP 15 H TRP 15 -21.725 -24.886 -24.180 94 HA TRP 15 HA TRP 15 -24.253 -25.487 -25.340 95 HB2 TRP 15 HB2 TRP 15 -23.570 -25.155 -27.608 96 HB3 TRP 15 HB3 TRP 15 -23.576 -23.739 -26.795 97 HD1 TRP 15 HD1 TRP 15 -21.209 -26.073 -28.431 98 HE1 TRP 15 HE1 TRP 15 -18.890 -25.131 -28.628 99 HE3 TRP 15 HE3 TRP 15 -21.980 -21.919 -25.770 100 HZ2 TRP 15 HZ2 TRP 15 -17.650 -22.767 -27.764 101 HZ3 TRP 15 HZ3 TRP 15 -20.190 -20.324 -25.576 102 HH2 TRP 15 HH2 TRP 15 -18.033 -20.786 -26.506 103 H SER 16 H SER 16 -23.887 -27.359 -27.085 104 HA SER 16 HA SER 16 -22.383 -29.317 -25.863 105 HB2 SER 16 HB2 SER 16 -22.696 -30.493 -28.106 106 HB3 SER 16 HB3 SER 16 -24.033 -30.180 -27.223 107 HG SER 16 HG SER 16 -23.895 -29.543 -29.547 108 H GLY 17 H GLY 17 -20.244 -29.383 -25.637 109 HA2 GLY 17 HA2 GLY 17 -18.223 -29.852 -26.657 110 HA3 GLY 17 HA3 GLY 17 -18.675 -29.042 -28.001 111 H GLY 18 H GLY 18 -19.416 -27.091 -25.452 112 HA2 GLY 18 HA2 GLY 18 -17.025 -26.218 -24.524 113 HA3 GLY 18 HA3 GLY 18 -17.242 -25.388 -25.913 114 H PHE 19 H PHE 19 -16.904 -23.726 -23.994 115 HA PHE 19 HA PHE 19 -19.485 -22.633 -23.633 116 HB2 PHE 19 HB2 PHE 19 -19.361 -22.348 -21.287 117 HB3 PHE 19 HB3 PHE 19 -19.274 -23.938 -21.649 118 HD1 PHE 19 HD1 PHE 19 -17.342 -25.231 -21.130 119 HD2 PHE 19 HD2 PHE 19 -17.363 -21.143 -20.495 120 HE1 PHE 19 HE1 PHE 19 -15.388 -25.428 -19.783 121 HE2 PHE 19 HE2 PHE 19 -15.401 -21.336 -19.137 122 HZ PHE 19 HZ PHE 19 -14.391 -23.484 -18.807 123 H GLN 20 H GLN 20 -19.392 -20.381 -22.647 124 HA GLN 20 HA GLN 20 -16.913 -19.088 -23.377 125 HB2 GLN 20 HB2 GLN 20 -19.588 -18.390 -23.902 126 HB3 GLN 20 HB3 GLN 20 -18.694 -17.137 -23.357 127 HG2 GLN 20 HG2 GLN 20 -17.428 -17.085 -25.166 128 HG3 GLN 20 HG3 GLN 20 -17.664 -18.667 -25.496 129 HE21 GLN 20 HE21 GLN 20 -19.641 -17.678 -28.153 130 HE22 GLN 20 HE22 GLN 20 -18.159 -18.425 -27.656 131 H GLY 21 H GLY 21 -16.180 -17.285 -22.029 132 HA2 GLY 21 HA2 GLY 21 -17.464 -17.278 -19.435 133 HA3 GLY 21 HA3 GLY 21 -15.844 -17.461 -19.536 134 H SER 22 H SER 22 -17.190 -15.405 -18.123 135 HA SER 22 HA SER 22 -16.172 -13.103 -19.542 136 HB2 SER 22 HB2 SER 22 -18.126 -11.846 -18.726 137 HB3 SER 22 HB3 SER 22 -18.470 -12.920 -19.908 138 HG SER 22 HG SER 22 -19.905 -13.576 -18.596 139 H VAL 23 H VAL 23 -15.016 -11.665 -18.229 140 HA VAL 23 HA VAL 23 -14.978 -12.363 -15.448 141 HB VAL 23 HB VAL 23 -12.578 -12.351 -15.379 142 HG11 VAL 23 HG11 VAL 23 -12.236 -14.478 -16.474 143 HG12 VAL 23 HG12 VAL 23 -13.618 -14.281 -17.290 144 HG13 VAL 23 HG13 VAL 23 -13.648 -14.488 -15.686 145 HG21 VAL 23 HG21 VAL 23 -11.300 -12.367 -17.381 146 HG22 VAL 23 HG22 VAL 23 -12.103 -10.970 -17.236 147 HG23 VAL 23 HG23 VAL 23 -12.642 -12.112 -18.246 148 H GLU 24 H GLU 24 -14.256 -10.713 -13.978 149 HA GLU 24 HA GLU 24 -14.150 -8.091 -15.189 150 HB2 GLU 24 HB2 GLU 24 -16.348 -8.559 -14.244 151 HB3 GLU 24 HB3 GLU 24 -15.638 -8.644 -12.776 152 HG2 GLU 24 HG2 GLU 24 -15.001 -6.389 -12.939 153 HG3 GLU 24 HG3 GLU 24 -15.673 -6.298 -14.425 154 H VAL 25 H VAL 25 -12.784 -6.558 -14.251 155 HA VAL 25 HA VAL 25 -11.235 -7.518 -12.018 156 HB VAL 25 HB VAL 25 -10.141 -6.228 -14.399 157 HG11 VAL 25 HG11 VAL 25 -7.979 -6.388 -13.404 158 HG12 VAL 25 HG12 VAL 25 -8.639 -6.973 -12.049 159 HG13 VAL 25 HG13 VAL 25 -8.936 -5.449 -12.500 160 HG21 VAL 25 HG21 VAL 25 -8.919 -8.262 -14.721 161 HG22 VAL 25 HG22 VAL 25 -10.507 -8.568 -14.714 162 HG23 VAL 25 HG23 VAL 25 -9.615 -8.894 -13.405 163 H MET 26 H MET 26 -11.005 -6.052 -10.344 164 HA MET 26 HA MET 26 -11.668 -3.332 -11.007 165 HB2 MET 26 HB2 MET 26 -12.519 -3.056 -8.798 166 HB3 MET 26 HB3 MET 26 -13.302 -4.265 -9.569 167 HG2 MET 26 HG2 MET 26 -12.025 -5.826 -8.436 168 HG3 MET 26 HG3 MET 26 -11.219 -4.625 -7.677 169 HE1 MET 26 HE1 MET 26 -13.331 -5.988 -4.686 170 HE2 MET 26 HE2 MET 26 -11.838 -5.568 -5.145 171 HE3 MET 26 HE3 MET 26 -12.562 -6.848 -5.819 172 H ASN 27 H ASN 27 -10.412 -1.631 -10.425 173 HA ASN 27 HA ASN 27 -7.784 -2.328 -9.656 174 HB2 ASN 27 HB2 ASN 27 -8.335 -0.520 -11.232 175 HB3 ASN 27 HB3 ASN 27 -8.800 0.367 -9.942 176 HD21 ASN 27 HD21 ASN 27 -5.421 1.452 -10.741 177 HD22 ASN 27 HD22 ASN 27 -6.993 1.532 -11.465 178 H HIS 28 H HIS 28 -6.784 -2.165 -7.636 179 HA HIS 28 HA HIS 28 -8.507 -1.528 -5.471 180 HB2 HIS 28 HB2 HIS 28 -6.858 -3.380 -5.482 181 HB3 HIS 28 HB3 HIS 28 -5.730 -2.235 -5.195 182 HD1 HIS 28 HD1 HIS 28 -5.846 -4.345 -3.130 183 HD2 HIS 28 HD2 HIS 28 -8.232 -1.022 -3.004 184 HE1 HIS 28 HE1 HIS 28 -6.625 -4.029 -0.791 185 HE2 HIS 28 HE2 HIS 28 -8.050 -2.010 -0.685 186 H GLY 29 H GLY 29 -6.112 -0.012 -7.324 187 HA2 GLY 29 HA2 GLY 29 -6.037 2.254 -5.516 188 HA3 GLY 29 HA3 GLY 29 -4.954 1.981 -6.707 189 H THR 30 H THR 30 -5.650 4.354 -7.209 190 HA THR 30 HA THR 30 -7.969 4.218 -8.928 191 HB THR 30 HB THR 30 -8.114 5.900 -7.186 192 HG1 THR 30 HG1 THR 30 -8.113 6.923 -9.756 193 HG21 THR 30 HG21 THR 30 -6.755 7.888 -7.361 194 HG22 THR 30 HG22 THR 30 -5.960 7.249 -8.615 195 HG23 THR 30 HG23 THR 30 -5.788 6.611 -7.139 196 H GLU 31 H GLU 31 -4.666 4.325 -8.917 197 HA GLU 31 HA GLU 31 -4.454 5.707 -11.397 198 HB2 GLU 31 HB2 GLU 31 -2.354 4.589 -9.751 199 HB3 GLU 31 HB3 GLU 31 -2.067 5.467 -11.097 200 HG2 GLU 31 HG2 GLU 31 -3.062 7.350 -10.075 201 HG3 GLU 31 HG3 GLU 31 -3.333 6.470 -8.726 202 HA PRO 32 HA PRO 32 -4.314 1.858 -13.499 203 HB2 PRO 32 HB2 PRO 32 -4.570 2.672 -15.999 204 HB3 PRO 32 HB3 PRO 32 -5.858 2.871 -15.015 205 HG2 PRO 32 HG2 PRO 32 -3.893 4.776 -15.737 206 HG3 PRO 32 HG3 PRO 32 -5.517 4.956 -15.721 207 HD2 PRO 32 HD2 PRO 32 -4.012 5.798 -13.695 208 HD3 PRO 32 HD3 PRO 32 -5.563 5.341 -13.466 209 H LEU 33 H LEU 33 -3.016 0.602 -14.949 210 HA LEU 33 HA LEU 33 -0.458 1.852 -15.332 211 HB2 LEU 33 HB2 LEU 33 -1.047 -0.831 -14.500 212 HB3 LEU 33 HB3 LEU 33 0.360 -0.558 -15.284 213 HG LEU 33 HG LEU 33 0.782 -0.708 -13.030 214 HD11 LEU 33 HD11 LEU 33 1.896 1.389 -12.633 215 HD12 LEU 33 HD12 LEU 33 1.070 2.051 -13.855 216 HD13 LEU 33 HD13 LEU 33 2.150 0.884 -14.147 217 HD21 LEU 33 HD21 LEU 33 -0.145 0.767 -11.394 218 HD22 LEU 33 HD22 LEU 33 -1.299 -0.136 -12.077 219 HD23 LEU 33 HD23 LEU 33 -1.111 1.407 -12.522 220 H ASN 34 H ASN 34 0.561 1.662 -17.365 221 HA ASN 34 HA ASN 34 -0.872 0.452 -19.460 222 HB2 ASN 34 HB2 ASN 34 0.640 2.317 -19.809 223 HB3 ASN 34 HB3 ASN 34 1.891 1.307 -19.521 224 HD21 ASN 34 HD21 ASN 34 2.130 1.031 -22.998 225 HD22 ASN 34 HD22 ASN 34 2.809 1.784 -21.595 226 H GLY 35 H GLY 35 -0.400 -1.519 -20.595 227 HA2 GLY 35 HA2 GLY 35 0.572 -3.562 -20.778 228 HA3 GLY 35 HA3 GLY 35 1.672 -3.176 -19.635 229 H TRP 36 H TRP 36 -1.476 -2.615 -18.709 230 HA TRP 36 HA TRP 36 -1.551 -4.356 -16.610 231 HB2 TRP 36 HB2 TRP 36 -3.038 -2.484 -16.992 232 HB3 TRP 36 HB3 TRP 36 -3.838 -3.397 -18.085 233 HD1 TRP 36 HD1 TRP 36 -5.067 -5.670 -16.938 234 HE1 TRP 36 HE1 TRP 36 -6.359 -5.898 -14.788 235 HE3 TRP 36 HE3 TRP 36 -3.306 -1.574 -14.697 236 HZ2 TRP 36 HZ2 TRP 36 -6.599 -4.323 -12.483 237 HZ3 TRP 36 HZ3 TRP 36 -4.122 -0.996 -12.516 238 HH2 TRP 36 HH2 TRP 36 -5.737 -2.383 -11.421 239 H ALA 37 H ALA 37 -2.128 -6.499 -16.261 240 HA ALA 37 HA ALA 37 -3.067 -7.901 -18.561 241 HB1 ALA 37 HB1 ALA 37 -0.687 -8.212 -18.569 242 HB2 ALA 37 HB2 ALA 37 -1.407 -9.634 -18.296 243 HB3 ALA 37 HB3 ALA 37 -0.751 -8.811 -17.068 244 H VAL 38 H VAL 38 -4.128 -9.913 -18.220 245 HA VAL 38 HA VAL 38 -4.852 -10.423 -15.479 246 HB VAL 38 HB VAL 38 -6.788 -10.452 -17.664 247 HG11 VAL 38 HG11 VAL 38 -8.445 -10.766 -16.011 248 HG12 VAL 38 HG12 VAL 38 -7.306 -10.827 -14.864 249 HG13 VAL 38 HG13 VAL 38 -7.389 -11.990 -15.985 250 HG21 VAL 38 HG21 VAL 38 -7.693 -8.440 -16.707 251 HG22 VAL 38 HG22 VAL 38 -6.159 -8.187 -17.153 252 HG23 VAL 38 HG23 VAL 38 -6.519 -8.430 -15.596 253 H GLN 39 H GLN 39 -4.072 -12.478 -15.011 254 HA GLN 39 HA GLN 39 -3.850 -14.287 -17.206 255 HB2 GLN 39 HB2 GLN 39 -2.924 -14.881 -14.537 256 HB3 GLN 39 HB3 GLN 39 -2.371 -15.537 -15.926 257 HG2 GLN 39 HG2 GLN 39 -0.726 -14.153 -15.761 258 HG3 GLN 39 HG3 GLN 39 -1.782 -12.996 -16.222 259 HE21 GLN 39 HE21 GLN 39 -0.122 -12.887 -12.629 260 HE22 GLN 39 HE22 GLN 39 0.379 -13.914 -13.930 261 H TRP 40 H TRP 40 -4.798 -16.359 -17.358 262 HA TRP 40 HA TRP 40 -6.419 -17.193 -15.187 263 HB2 TRP 40 HB2 TRP 40 -8.444 -17.362 -16.413 264 HB3 TRP 40 HB3 TRP 40 -7.933 -15.811 -16.438 265 HD1 TRP 40 HD1 TRP 40 -6.769 -15.027 -18.820 266 HE1 TRP 40 HE1 TRP 40 -7.381 -15.574 -21.191 267 HE3 TRP 40 HE3 TRP 40 -9.368 -19.165 -17.867 268 HZ2 TRP 40 HZ2 TRP 40 -8.797 -17.660 -22.426 269 HZ3 TRP 40 HZ3 TRP 40 -10.369 -20.356 -19.692 270 HH2 TRP 40 HH2 TRP 40 -10.070 -19.614 -21.955 271 H GLN 41 H GLN 41 -7.448 -19.368 -15.551 272 HA GLN 41 HA GLN 41 -5.747 -20.997 -17.261 273 HB2 GLN 41 HB2 GLN 41 -5.003 -21.059 -14.966 274 HB3 GLN 41 HB3 GLN 41 -6.457 -21.682 -14.559 275 HG2 GLN 41 HG2 GLN 41 -5.183 -23.523 -14.644 276 HG3 GLN 41 HG3 GLN 41 -5.851 -23.521 -16.134 277 HE21 GLN 41 HE21 GLN 41 -1.941 -23.617 -15.759 278 HE22 GLN 41 HE22 GLN 41 -3.078 -23.944 -14.494 279 HA PRO 42 HA PRO 42 -9.783 -22.490 -18.194 280 HB2 PRO 42 HB2 PRO 42 -9.239 -24.699 -19.584 281 HB3 PRO 42 HB3 PRO 42 -9.009 -23.241 -20.284 282 HG2 PRO 42 HG2 PRO 42 -7.058 -24.894 -19.011 283 HG3 PRO 42 HG3 PRO 42 -6.940 -24.140 -20.455 284 HD2 PRO 42 HD2 PRO 42 -5.855 -23.078 -18.352 285 HD3 PRO 42 HD3 PRO 42 -6.518 -22.118 -19.495 286 H GLY 43 H GLY 43 -11.315 -24.102 -17.638 287 HA2 GLY 43 HA2 GLY 43 -10.677 -25.279 -15.158 288 HA3 GLY 43 HA3 GLY 43 -12.111 -25.372 -15.935 289 H GLY 44 H GLY 44 -11.373 -27.605 -14.662 290 HA2 GLY 44 HA2 GLY 44 -9.825 -29.317 -16.210 291 HA3 GLY 44 HA3 GLY 44 -10.868 -29.774 -15.040 292 H GLY 45 H GLY 45 -10.182 -30.426 -18.058 293 HA2 GLY 45 HA2 GLY 45 -11.524 -31.720 -19.412 294 HA3 GLY 45 HA3 GLY 45 -12.867 -31.205 -18.639 295 H THR 46 H THR 46 -11.153 -28.528 -19.252 296 HA THR 46 HA THR 46 -12.306 -28.151 -21.871 297 HB THR 46 HB THR 46 -13.471 -26.938 -19.908 298 HG1 THR 46 HG1 THR 46 -13.062 -25.955 -22.448 299 HG21 THR 46 HG21 THR 46 -12.702 -24.692 -19.675 300 HG22 THR 46 HG22 THR 46 -11.456 -24.999 -20.659 301 HG23 THR 46 HG23 THR 46 -11.529 -25.701 -19.204 302 H THR 47 H THR 47 -11.204 -26.522 -23.257 303 HA THR 47 HA THR 47 -8.720 -25.577 -22.170 304 HB THR 47 HB THR 47 -8.135 -27.498 -23.555 305 HG1 THR 47 HG1 THR 47 -6.341 -26.577 -24.164 306 HG21 THR 47 HG21 THR 47 -8.324 -27.307 -25.937 307 HG22 THR 47 HG22 THR 47 -9.070 -25.881 -25.780 308 HG23 THR 47 HG23 THR 47 -9.805 -27.235 -25.290 309 H LEU 48 H LEU 48 -7.880 -23.629 -23.234 310 HA LEU 48 HA LEU 48 -10.020 -21.968 -23.906 311 HB2 LEU 48 HB2 LEU 48 -8.541 -20.210 -23.860 312 HB3 LEU 48 HB3 LEU 48 -8.152 -21.218 -22.635 313 HG LEU 48 HG LEU 48 -6.216 -20.444 -23.308 314 HD11 LEU 48 HD11 LEU 48 -4.972 -22.219 -24.289 315 HD12 LEU 48 HD12 LEU 48 -6.354 -22.962 -24.681 316 HD13 LEU 48 HD13 LEU 48 -5.957 -22.760 -23.127 317 HD21 LEU 48 HD21 LEU 48 -5.514 -20.259 -25.622 318 HD22 LEU 48 HD22 LEU 48 -6.854 -19.393 -25.357 319 HD23 LEU 48 HD23 LEU 48 -6.953 -20.831 -26.090 320 H GLY 49 H GLY 49 -10.310 -20.584 -25.779 321 HA2 GLY 49 HA2 GLY 49 -9.098 -21.725 -28.145 322 HA3 GLY 49 HA3 GLY 49 -10.661 -21.253 -28.113 323 H GLY 50 H GLY 50 -10.964 -18.881 -27.282 324 HA2 GLY 50 HA2 GLY 50 -8.857 -17.188 -28.248 325 HA3 GLY 50 HA3 GLY 50 -10.306 -17.060 -28.989 326 H VAL 51 H VAL 51 -9.255 -14.832 -27.816 327 HA VAL 51 HA VAL 51 -11.017 -14.465 -25.571 328 HB VAL 51 HB VAL 51 -8.307 -13.402 -25.547 329 HG11 VAL 51 HG11 VAL 51 -8.755 -12.836 -23.255 330 HG12 VAL 51 HG12 VAL 51 -10.255 -13.424 -23.397 331 HG13 VAL 51 HG13 VAL 51 -9.823 -12.102 -24.222 332 HG21 VAL 51 HG21 VAL 51 -7.754 -15.045 -23.905 333 HG22 VAL 51 HG22 VAL 51 -8.171 -15.763 -25.292 334 HG23 VAL 51 HG23 VAL 51 -9.221 -15.706 -24.063 335 H TRP 52 H TRP 52 -11.921 -12.314 -25.378 336 HA TRP 52 HA TRP 52 -11.101 -10.501 -27.469 337 HB2 TRP 52 HB2 TRP 52 -13.334 -9.842 -27.856 338 HB3 TRP 52 HB3 TRP 52 -13.238 -11.464 -28.026 339 HD1 TRP 52 HD1 TRP 52 -14.725 -8.921 -25.774 340 HE1 TRP 52 HE1 TRP 52 -16.547 -9.884 -24.336 341 HE3 TRP 52 HE3 TRP 52 -14.091 -13.704 -27.056 342 HZ2 TRP 52 HZ2 TRP 52 -17.624 -12.449 -23.998 343 HZ3 TRP 52 HZ3 TRP 52 -15.617 -15.346 -26.178 344 HH2 TRP 52 HH2 TRP 52 -17.332 -14.718 -24.626 345 H ASN 53 H ASN 53 -12.249 -8.231 -26.990 346 HA ASN 53 HA ASN 53 -12.296 -6.477 -25.690 347 HB2 ASN 53 HB2 ASN 53 -12.944 -8.428 -23.769 348 HB3 ASN 53 HB3 ASN 53 -12.341 -7.067 -23.099 349 HD21 ASN 53 HD21 ASN 53 -15.676 -6.058 -22.910 350 HD22 ASN 53 HD22 ASN 53 -14.279 -6.570 -22.024 351 H GLY 54 H GLY 54 -9.772 -8.091 -26.163 352 HA2 GLY 54 HA2 GLY 54 -7.996 -6.125 -25.480 353 HA3 GLY 54 HA3 GLY 54 -7.911 -7.234 -24.285 354 H SER 55 H SER 55 -5.597 -6.991 -25.501 355 HA SER 55 HA SER 55 -5.379 -8.832 -27.667 356 HB2 SER 55 HB2 SER 55 -3.854 -6.965 -27.539 357 HB3 SER 55 HB3 SER 55 -3.270 -7.538 -26.125 358 HG SER 55 HG SER 55 -3.063 -9.419 -27.886 359 H LEU 56 H LEU 56 -4.091 -10.912 -27.505 360 HA LEU 56 HA LEU 56 -4.114 -11.891 -24.804 361 HB2 LEU 56 HB2 LEU 56 -5.027 -13.976 -25.515 362 HB3 LEU 56 HB3 LEU 56 -6.056 -12.748 -25.829 363 HG LEU 56 HG LEU 56 -4.436 -13.515 -27.989 364 HD11 LEU 56 HD11 LEU 56 -5.765 -15.449 -28.503 365 HD12 LEU 56 HD12 LEU 56 -6.546 -15.287 -27.096 366 HD13 LEU 56 HD13 LEU 56 -4.975 -15.672 -27.110 367 HD21 LEU 56 HD21 LEU 56 -6.478 -13.166 -29.220 368 HD22 LEU 56 HD22 LEU 56 -6.169 -11.880 -28.290 369 HD23 LEU 56 HD23 LEU 56 -7.282 -12.960 -27.832 370 H THR 57 H THR 57 -2.545 -13.398 -24.178 371 HA THR 57 HA THR 57 -0.840 -14.357 -26.237 372 HB THR 57 HB THR 57 1.188 -13.824 -24.828 373 HG1 THR 57 HG1 THR 57 0.110 -11.800 -23.564 374 HG21 THR 57 HG21 THR 57 1.336 -11.549 -25.549 375 HG22 THR 57 HG22 THR 57 -0.258 -11.510 -25.820 376 HG23 THR 57 HG23 THR 57 0.697 -12.427 -26.747 377 H SER 58 H SER 58 0.367 -16.324 -25.678 378 HA SER 58 HA SER 58 -0.632 -17.592 -23.279 379 HB2 SER 58 HB2 SER 58 -1.057 -18.764 -25.385 380 HB3 SER 58 HB3 SER 58 0.557 -18.947 -25.560 381 HG SER 58 HG SER 58 -0.253 -19.787 -23.188 382 H GLY 59 H GLY 59 0.821 -18.763 -21.878 383 HA2 GLY 59 HA2 GLY 59 3.475 -17.642 -21.981 384 HA3 GLY 59 HA3 GLY 59 2.703 -18.092 -20.614 385 H SER 60 H SER 60 5.279 -18.916 -21.040 386 HA SER 60 HA SER 60 5.339 -21.459 -22.216 387 HB2 SER 60 HB2 SER 60 7.316 -20.338 -20.378 388 HB3 SER 60 HB3 SER 60 7.620 -21.498 -21.486 389 HG SER 60 HG SER 60 7.499 -20.086 -23.100 390 H ASP 61 H ASP 61 4.270 -20.369 -19.298 391 HA ASP 61 HA ASP 61 4.711 -22.795 -17.857 392 HB2 ASP 61 HB2 ASP 61 4.604 -20.475 -16.909 393 HB3 ASP 61 HB3 ASP 61 2.985 -20.684 -16.956 394 H GLY 62 H GLY 62 2.892 -22.258 -20.330 395 HA2 GLY 62 HA2 GLY 62 1.102 -23.423 -21.077 396 HA3 GLY 62 HA3 GLY 62 0.939 -24.157 -19.628 397 H THR 63 H THR 63 0.968 -21.160 -18.678 398 HA THR 63 HA THR 63 -1.830 -21.027 -18.559 399 HB THR 63 HB THR 63 -1.356 -18.944 -17.198 400 HG1 THR 63 HG1 THR 63 1.267 -19.739 -17.513 401 HG21 THR 63 HG21 THR 63 -0.439 -20.148 -15.328 402 HG22 THR 63 HG22 THR 63 0.036 -21.342 -16.309 403 HG23 THR 63 HG23 THR 63 -1.539 -21.087 -16.051 404 H VAL 64 H VAL 64 -3.093 -18.983 -19.046 405 HA VAL 64 HA VAL 64 -1.912 -17.640 -21.281 406 HB VAL 64 HB VAL 64 -4.184 -17.453 -22.266 407 HG11 VAL 64 HG11 VAL 64 -4.153 -19.670 -23.181 408 HG12 VAL 64 HG12 VAL 64 -3.127 -20.140 -22.022 409 HG13 VAL 64 HG13 VAL 64 -2.651 -19.073 -23.140 410 HG21 VAL 64 HG21 VAL 64 -5.853 -18.970 -21.448 411 HG22 VAL 64 HG22 VAL 64 -5.447 -17.926 -20.283 412 HG23 VAL 64 HG23 VAL 64 -4.861 -19.433 -20.258 413 H THR 65 H THR 65 -2.639 -15.399 -21.710 414 HA THR 65 HA THR 65 -3.942 -14.226 -19.488 415 HB THR 65 HB THR 65 -1.600 -14.036 -18.856 416 HG1 THR 65 HG1 THR 65 -2.410 -11.482 -19.440 417 HG21 THR 65 HG21 THR 65 -0.142 -12.658 -20.168 418 HG22 THR 65 HG22 THR 65 -1.323 -12.403 -21.243 419 HG23 THR 65 HG23 THR 65 -0.672 -13.875 -21.091 420 H VAL 66 H VAL 66 -4.889 -12.178 -19.781 421 HA VAL 66 HA VAL 66 -5.039 -11.336 -22.536 422 HB VAL 66 HB VAL 66 -6.846 -10.263 -20.564 423 HG11 VAL 66 HG11 VAL 66 -8.381 -10.188 -22.404 424 HG12 VAL 66 HG12 VAL 66 -7.288 -10.908 -23.353 425 HG13 VAL 66 HG13 VAL 66 -7.013 -9.417 -22.791 426 HG21 VAL 66 HG21 VAL 66 -8.350 -12.107 -20.762 427 HG22 VAL 66 HG22 VAL 66 -6.960 -12.591 -20.092 428 HG23 VAL 66 HG23 VAL 66 -7.261 -12.909 -21.649 429 H ARG 67 H ARG 67 -4.332 -9.195 -23.114 430 HA ARG 67 HA ARG 67 -3.555 -7.549 -20.908 431 HB2 ARG 67 HB2 ARG 67 -1.422 -7.067 -21.867 432 HB3 ARG 67 HB3 ARG 67 -1.557 -8.670 -21.583 433 HG2 ARG 67 HG2 ARG 67 -1.927 -9.083 -23.864 434 HG3 ARG 67 HG3 ARG 67 -1.936 -7.481 -24.181 435 HD2 ARG 67 HD2 ARG 67 0.166 -8.136 -24.801 436 HD3 ARG 67 HD3 ARG 67 0.398 -7.484 -23.322 437 HE ARG 67 HE ARG 67 -0.052 -10.240 -23.142 438 HH11 ARG 67 HH11 ARG 67 2.461 -7.826 -23.748 439 HH12 ARG 67 HH12 ARG 67 3.739 -8.925 -23.349 440 HH21 ARG 67 HH21 ARG 67 1.651 -11.609 -22.662 441 HH22 ARG 67 HH22 ARG 67 3.285 -11.041 -22.742 442 H ASN 68 H ASN 68 -3.198 -5.238 -21.446 443 HA ASN 68 HA ASN 68 -3.812 -3.418 -22.493 444 HB2 ASN 68 HB2 ASN 68 -3.243 -4.974 -24.893 445 HB3 ASN 68 HB3 ASN 68 -3.456 -3.356 -24.958 446 HD21 ASN 68 HD21 ASN 68 0.161 -4.440 -24.726 447 HD22 ASN 68 HD22 ASN 68 -1.155 -5.050 -25.673 448 H VAL 69 H VAL 69 -5.898 -3.257 -21.717 449 HA VAL 69 HA VAL 69 -8.098 -4.148 -22.953 450 HB VAL 69 HB VAL 69 -7.708 -1.607 -21.576 451 HG11 VAL 69 HG11 VAL 69 -10.077 -1.356 -21.407 452 HG12 VAL 69 HG12 VAL 69 -10.289 -2.668 -22.328 453 HG13 VAL 69 HG13 VAL 69 -9.630 -1.334 -22.961 454 HG21 VAL 69 HG21 VAL 69 -8.821 -2.699 -19.738 455 HG22 VAL 69 HG22 VAL 69 -7.523 -3.558 -20.176 456 HG23 VAL 69 HG23 VAL 69 -9.000 -4.033 -20.634 457 H ASP 70 H ASP 70 -9.204 -3.768 -24.876 458 HA ASP 70 HA ASP 70 -8.168 -1.619 -26.431 459 HB2 ASP 70 HB2 ASP 70 -8.855 -2.772 -28.360 460 HB3 ASP 70 HB3 ASP 70 -8.220 -3.913 -27.380 461 H HIS 71 H HIS 71 -10.774 -2.352 -24.591 462 HA HIS 71 HA HIS 71 -12.604 -0.785 -26.122 463 HB2 HIS 71 HB2 HIS 71 -14.305 -1.630 -24.634 464 HB3 HIS 71 HB3 HIS 71 -13.484 -2.832 -25.374 465 HD1 HIS 71 HD1 HIS 71 -13.879 -1.214 -22.047 466 HD2 HIS 71 HD2 HIS 71 -12.144 -4.550 -23.679 467 HE1 HIS 71 HE1 HIS 71 -13.162 -2.713 -20.194 468 HE2 HIS 71 HE2 HIS 71 -12.150 -4.753 -21.154 469 H ASN 72 H ASN 72 -10.414 0.431 -24.777 470 HA ASN 72 HA ASN 72 -11.839 2.204 -23.016 471 HB2 ASN 72 HB2 ASN 72 -9.791 2.616 -21.872 472 HB3 ASN 72 HB3 ASN 72 -10.031 1.001 -21.937 473 HD21 ASN 72 HD21 ASN 72 -6.537 1.998 -22.871 474 HD22 ASN 72 HD22 ASN 72 -7.577 2.536 -21.595 475 H ARG 73 H ARG 73 -11.713 2.414 -25.877 476 HA ARG 73 HA ARG 73 -9.724 4.215 -26.549 477 HB2 ARG 73 HB2 ARG 73 -12.078 3.427 -28.050 478 HB3 ARG 73 HB3 ARG 73 -10.884 4.324 -28.712 479 HG2 ARG 73 HG2 ARG 73 -9.369 2.537 -28.404 480 HG3 ARG 73 HG3 ARG 73 -10.561 1.640 -27.738 481 HD2 ARG 73 HD2 ARG 73 -10.579 2.548 -30.485 482 HD3 ARG 73 HD3 ARG 73 -10.198 1.026 -30.032 483 HE ARG 73 HE ARG 73 -12.691 1.506 -29.029 484 HH11 ARG 73 HH11 ARG 73 -11.160 1.248 -32.166 485 HH12 ARG 73 HH12 ARG 73 -12.601 0.699 -32.955 486 HH21 ARG 73 HH21 ARG 73 -14.571 0.823 -30.068 487 HH22 ARG 73 HH22 ARG 73 -14.543 0.457 -31.761 488 H VAL 74 H VAL 74 -12.804 4.702 -25.296 489 HA VAL 74 HA VAL 74 -12.962 7.334 -26.287 490 HB VAL 74 HB VAL 74 -14.796 6.060 -24.426 491 HG11 VAL 74 HG11 VAL 74 -16.358 7.776 -25.000 492 HG12 VAL 74 HG12 VAL 74 -15.246 8.477 -25.942 493 HG13 VAL 74 HG13 VAL 74 -15.032 8.425 -24.340 494 HG21 VAL 74 HG21 VAL 74 -16.227 5.656 -26.314 495 HG22 VAL 74 HG22 VAL 74 -14.813 4.900 -26.520 496 HG23 VAL 74 HG23 VAL 74 -15.110 6.286 -27.299 497 H VAL 75 H VAL 75 -12.576 5.734 -23.241 498 HA VAL 75 HA VAL 75 -11.343 8.038 -22.126 499 HB VAL 75 HB VAL 75 -12.519 7.538 -19.954 500 HG11 VAL 75 HG11 VAL 75 -14.288 9.077 -20.508 501 HG12 VAL 75 HG12 VAL 75 -13.976 8.873 -22.081 502 HG13 VAL 75 HG13 VAL 75 -12.888 9.595 -21.128 503 HG21 VAL 75 HG21 VAL 75 -14.724 6.593 -20.215 504 HG22 VAL 75 HG22 VAL 75 -13.605 5.510 -20.652 505 HG23 VAL 75 HG23 VAL 75 -14.428 6.324 -21.781 506 HA PRO 76 HA PRO 76 -8.733 4.798 -20.586 507 HB2 PRO 76 HB2 PRO 76 -7.353 5.976 -18.674 508 HB3 PRO 76 HB3 PRO 76 -7.083 6.432 -20.219 509 HG2 PRO 76 HG2 PRO 76 -8.766 7.720 -18.289 510 HG3 PRO 76 HG3 PRO 76 -7.659 8.418 -19.265 511 HD2 PRO 76 HD2 PRO 76 -10.179 8.446 -19.893 512 HD3 PRO 76 HD3 PRO 76 -9.037 8.365 -21.058 513 HA PRO 77 HA PRO 77 -10.844 3.062 -17.349 514 HB2 PRO 77 HB2 PRO 77 -9.195 1.236 -16.309 515 HB3 PRO 77 HB3 PRO 77 -9.770 1.001 -17.820 516 HG2 PRO 77 HG2 PRO 77 -7.266 2.092 -17.048 517 HG3 PRO 77 HG3 PRO 77 -7.564 0.966 -18.193 518 HD2 PRO 77 HD2 PRO 77 -7.201 3.481 -18.847 519 HD3 PRO 77 HD3 PRO 77 -8.192 2.526 -19.727 520 H ASP 78 H ASP 78 -11.584 3.905 -15.587 521 HA ASP 78 HA ASP 78 -9.657 4.470 -13.513 522 HB2 ASP 78 HB2 ASP 78 -10.322 6.538 -14.605 523 HB3 ASP 78 HB3 ASP 78 -11.835 6.270 -14.054 524 H GLY 79 H GLY 79 -10.582 2.185 -13.153 525 HA2 GLY 79 HA2 GLY 79 -12.315 1.818 -11.212 526 HA3 GLY 79 HA3 GLY 79 -13.342 2.113 -12.447 527 H SER 80 H SER 80 -14.294 0.078 -12.565 528 HA SER 80 HA SER 80 -12.570 -2.156 -12.832 529 HB2 SER 80 HB2 SER 80 -14.764 -3.374 -12.910 530 HB3 SER 80 HB3 SER 80 -14.531 -2.517 -11.539 531 HG SER 80 HG SER 80 -15.613 -0.787 -12.830 532 H VAL 81 H VAL 81 -12.496 -3.675 -14.534 533 HA VAL 81 HA VAL 81 -13.662 -2.758 -16.983 534 HB VAL 81 HB VAL 81 -11.634 -3.466 -18.197 535 HG11 VAL 81 HG11 VAL 81 -10.362 -1.513 -17.697 536 HG12 VAL 81 HG12 VAL 81 -11.214 -1.299 -16.339 537 HG13 VAL 81 HG13 VAL 81 -11.935 -1.146 -17.778 538 HG21 VAL 81 HG21 VAL 81 -9.614 -3.774 -16.954 539 HG22 VAL 81 HG22 VAL 81 -10.696 -4.900 -16.534 540 HG23 VAL 81 HG23 VAL 81 -10.435 -3.629 -15.569 541 H THR 82 H THR 82 -13.924 -4.541 -18.651 542 HA THR 82 HA THR 82 -14.014 -7.078 -17.338 543 HB THR 82 HB THR 82 -16.291 -6.245 -17.440 544 HG1 THR 82 HG1 THR 82 -17.264 -7.995 -18.422 545 HG21 THR 82 HG21 THR 82 -17.340 -5.862 -19.558 546 HG22 THR 82 HG22 THR 82 -15.958 -6.207 -20.324 547 HG23 THR 82 HG23 THR 82 -16.070 -4.871 -19.420 548 H PHE 83 H PHE 83 -13.924 -8.992 -18.645 549 HA PHE 83 HA PHE 83 -13.096 -8.600 -21.372 550 HB2 PHE 83 HB2 PHE 83 -11.662 -10.283 -19.505 551 HB3 PHE 83 HB3 PHE 83 -11.332 -10.210 -21.103 552 HD1 PHE 83 HD1 PHE 83 -10.156 -8.327 -22.053 553 HD2 PHE 83 HD2 PHE 83 -10.911 -8.565 -17.994 554 HE1 PHE 83 HE1 PHE 83 -8.550 -6.605 -21.662 555 HE2 PHE 83 HE2 PHE 83 -9.323 -6.837 -17.597 556 HZ PHE 83 HZ PHE 83 -8.123 -5.870 -19.425 557 H GLY 84 H GLY 84 -13.120 -10.825 -22.573 558 HA2 GLY 84 HA2 GLY 84 -14.576 -12.857 -21.201 559 HA3 GLY 84 HA3 GLY 84 -15.351 -12.220 -22.490 560 H PHE 85 H PHE 85 -14.646 -14.914 -22.364 561 HA PHE 85 HA PHE 85 -12.838 -15.108 -24.563 562 HB2 PHE 85 HB2 PHE 85 -11.472 -16.769 -23.475 563 HB3 PHE 85 HB3 PHE 85 -11.390 -15.346 -22.677 564 HD1 PHE 85 HD1 PHE 85 -12.084 -15.158 -20.433 565 HD2 PHE 85 HD2 PHE 85 -12.805 -18.634 -22.533 566 HE1 PHE 85 HE1 PHE 85 -12.745 -16.238 -18.402 567 HE2 PHE 85 HE2 PHE 85 -13.502 -19.709 -20.519 568 HZ PHE 85 HZ PHE 85 -13.485 -18.514 -18.455 569 H THR 86 H THR 86 -12.705 -17.395 -25.460 570 HA THR 86 HA THR 86 -15.121 -18.823 -24.843 571 HB THR 86 HB THR 86 -15.398 -17.821 -27.025 572 HG1 THR 86 HG1 THR 86 -16.601 -19.441 -27.312 573 HG21 THR 86 HG21 THR 86 -14.023 -18.540 -28.851 574 HG22 THR 86 HG22 THR 86 -13.142 -19.453 -27.849 575 HG23 THR 86 HG23 THR 86 -13.084 -17.841 -27.735 576 H ALA 87 H ALA 87 -15.067 -21.158 -25.033 577 HA ALA 87 HA ALA 87 -12.417 -22.277 -25.109 578 HB1 ALA 87 HB1 ALA 87 -12.778 -21.743 -22.790 579 HB2 ALA 87 HB2 ALA 87 -12.757 -23.351 -22.959 580 HB3 ALA 87 HB3 ALA 87 -14.166 -22.573 -22.801 581 H THR 88 H THR 88 -12.392 -24.669 -25.240 582 HA THR 88 HA THR 88 -14.928 -25.722 -26.102 583 HB THR 88 HB THR 88 -13.570 -27.382 -27.384 584 HG1 THR 88 HG1 THR 88 -11.666 -26.488 -26.099 585 HG21 THR 88 HG21 THR 88 -13.205 -25.844 -29.221 586 HG22 THR 88 HG22 THR 88 -13.322 -24.588 -28.209 587 HG23 THR 88 HG23 THR 88 -14.624 -25.490 -28.533 588 H SER 89 H SER 89 -15.471 -27.932 -25.454 589 HA SER 89 HA SER 89 -13.959 -28.770 -23.176 590 HB2 SER 89 HB2 SER 89 -15.712 -27.269 -22.337 591 HB3 SER 89 HB3 SER 89 -16.837 -28.266 -22.977 592 HG SER 89 HG SER 89 -15.920 -28.400 -20.630 593 H THR 90 H THR 90 -14.232 -30.917 -22.419 594 HA THR 90 HA THR 90 -15.379 -32.616 -24.388 595 HB THR 90 HB THR 90 -13.186 -33.180 -23.389 596 HG1 THR 90 HG1 THR 90 -14.354 -35.451 -22.945 597 HG21 THR 90 HG21 THR 90 -13.174 -34.305 -21.287 598 HG22 THR 90 HG22 THR 90 -14.759 -34.041 -21.113 599 HG23 THR 90 HG23 THR 90 -13.723 -32.800 -21.070 600 H GLY 91 H GLY 91 -16.382 -31.029 -21.710 601 HA2 GLY 91 HA2 GLY 91 -18.891 -32.003 -21.733 602 HA3 GLY 91 HA3 GLY 91 -18.122 -32.918 -20.620 603 H ASN 92 H ASN 92 -16.505 -31.051 -19.360 604 HA ASN 92 HA ASN 92 -18.452 -30.041 -17.653 605 HB2 ASN 92 HB2 ASN 92 -15.556 -29.717 -17.612 606 HB3 ASN 92 HB3 ASN 92 -16.488 -29.124 -16.409 607 HD21 ASN 92 HD21 ASN 92 -15.031 -32.401 -15.478 608 HD22 ASN 92 HD22 ASN 92 -14.396 -30.867 -15.971 609 H ASP 93 H ASP 93 -19.452 -28.117 -17.500 610 HA ASP 93 HA ASP 93 -18.205 -25.874 -18.853 611 HB2 ASP 93 HB2 ASP 93 -20.355 -24.991 -19.259 612 HB3 ASP 93 HB3 ASP 93 -20.339 -26.532 -19.799 613 H PHE 94 H PHE 94 -18.150 -27.098 -16.075 614 HA PHE 94 HA PHE 94 -19.366 -25.128 -14.448 615 HB2 PHE 94 HB2 PHE 94 -17.674 -27.308 -13.565 616 HB3 PHE 94 HB3 PHE 94 -18.800 -26.549 -12.657 617 HD1 PHE 94 HD1 PHE 94 -21.245 -26.720 -13.572 618 HD2 PHE 94 HD2 PHE 94 -18.216 -29.380 -14.461 619 HE1 PHE 94 HE1 PHE 94 -22.865 -28.332 -14.212 620 HE2 PHE 94 HE2 PHE 94 -19.826 -31.008 -15.113 621 HZ PHE 94 HZ PHE 94 -22.169 -30.481 -15.016 622 HA PRO 95 HA PRO 95 -15.694 -22.800 -13.734 623 HB2 PRO 95 HB2 PRO 95 -16.380 -21.342 -11.656 624 HB3 PRO 95 HB3 PRO 95 -17.095 -21.025 -13.090 625 HG2 PRO 95 HG2 PRO 95 -18.123 -22.594 -10.936 626 HG3 PRO 95 HG3 PRO 95 -18.894 -21.424 -11.775 627 HD2 PRO 95 HD2 PRO 95 -19.255 -23.937 -12.357 628 HD3 PRO 95 HD3 PRO 95 -19.316 -22.796 -13.524 629 H VAL 96 H VAL 96 -13.904 -22.586 -12.270 630 HA VAL 96 HA VAL 96 -13.928 -24.802 -10.461 631 HB VAL 96 HB VAL 96 -11.667 -23.997 -12.127 632 HG11 VAL 96 HG11 VAL 96 -10.445 -25.850 -11.196 633 HG12 VAL 96 HG12 VAL 96 -11.683 -26.175 -10.207 634 HG13 VAL 96 HG13 VAL 96 -10.837 -24.809 -10.023 635 HG21 VAL 96 HG21 VAL 96 -11.910 -26.129 -13.195 636 HG22 VAL 96 HG22 VAL 96 -13.277 -25.279 -13.346 637 HG23 VAL 96 HG23 VAL 96 -13.179 -26.464 -12.250 638 H ASP 97 H ASP 97 -12.009 -21.938 -11.147 639 HA ASP 97 HA ASP 97 -12.159 -21.240 -8.393 640 HB2 ASP 97 HB2 ASP 97 -10.067 -22.530 -8.730 641 HB3 ASP 97 HB3 ASP 97 -9.538 -21.281 -9.640 642 H SER 98 H SER 98 -11.535 -19.022 -7.879 643 HA SER 98 HA SER 98 -12.160 -17.210 -9.935 644 HB2 SER 98 HB2 SER 98 -11.047 -15.961 -7.703 645 HB3 SER 98 HB3 SER 98 -12.610 -15.910 -8.174 646 HG SER 98 HG SER 98 -12.278 -16.792 -6.094 647 H ILE 99 H ILE 99 -10.823 -15.578 -10.863 648 HA ILE 99 HA ILE 99 -8.140 -16.517 -11.044 649 HB ILE 99 HB ILE 99 -8.032 -15.348 -13.166 650 HG12 ILE 99 HG12 ILE 99 -10.776 -14.581 -12.803 651 HG13 ILE 99 HG13 ILE 99 -9.544 -13.564 -12.460 652 HG21 ILE 99 HG21 ILE 99 -9.647 -16.701 -14.346 653 HG22 ILE 99 HG22 ILE 99 -10.400 -17.021 -12.951 654 HG23 ILE 99 HG23 ILE 99 -8.909 -17.589 -13.213 655 HD11 ILE 99 HD11 ILE 99 -10.413 -13.100 -14.604 656 HD12 ILE 99 HD12 ILE 99 -10.103 -14.616 -15.075 657 HD13 ILE 99 HD13 ILE 99 -8.884 -13.609 -14.735 658 H GLY 100 H GLY 100 -6.476 -14.717 -11.771 659 HA2 GLY 100 HA2 GLY 100 -6.875 -12.433 -10.043 660 HA3 GLY 100 HA3 GLY 100 -5.453 -13.236 -10.073 661 H CYS 101 H CYS 101 -4.895 -10.827 -10.475 662 HA CYS 101 HA CYS 101 -4.382 -10.569 -13.263 663 HB2 CYS 101 HB2 CYS 101 -5.171 -8.308 -13.283 664 HB3 CYS 101 HB3 CYS 101 -6.341 -9.446 -13.221 665 H VAL 102 H VAL 102 -2.756 -8.861 -13.771 666 HA VAL 102 HA VAL 102 -1.345 -8.040 -11.456 667 HB VAL 102 HB VAL 102 0.847 -8.654 -12.502 668 HG11 VAL 102 HG11 VAL 102 0.733 -10.959 -11.859 669 HG12 VAL 102 HG12 VAL 102 -0.883 -10.887 -11.849 670 HG13 VAL 102 HG13 VAL 102 -0.030 -10.049 -10.761 671 HG21 VAL 102 HG21 VAL 102 0.809 -10.226 -14.288 672 HG22 VAL 102 HG22 VAL 102 0.094 -8.850 -14.748 673 HG23 VAL 102 HG23 VAL 102 -0.804 -10.134 -14.349 674 H ALA 103 H ALA 103 0.182 -6.236 -11.745 675 HA ALA 103 HA ALA 103 -0.053 -4.899 -14.318 676 HB1 ALA 103 HB1 ALA 103 -1.456 -3.672 -12.849 677 HB2 ALA 103 HB2 ALA 103 -0.155 -2.774 -13.192 678 HB3 ALA 103 HB3 ALA 103 -0.258 -3.539 -11.771 679 HA PRO 104 HA PRO 104 4.257 -5.018 -13.756 680 HB2 PRO 104 HB2 PRO 104 5.177 -3.189 -15.458 681 HB3 PRO 104 HB3 PRO 104 4.481 -4.536 -16.064 682 HG2 PRO 104 HG2 PRO 104 3.308 -1.984 -15.678 683 HG3 PRO 104 HG3 PRO 104 3.218 -2.947 -16.995 684 HD2 PRO 104 HD2 PRO 104 1.277 -2.885 -15.253 685 HD3 PRO 104 HD3 PRO 104 1.619 -4.256 -16.071 Start of MODEL 15 1 H1 HIS 1 H1 HIS 1 3.581 1.758 -4.847 2 H2 HIS 1 H2 HIS 1 2.593 0.572 -5.327 3 H3 HIS 1 H3 HIS 1 3.260 0.521 -3.856 4 HA HIS 1 HA HIS 1 2.036 2.390 -3.199 5 HB2 HIS 1 HB2 HIS 1 1.892 3.145 -5.629 6 HB3 HIS 1 HB3 HIS 1 0.471 2.340 -5.606 7 HD1 HIS 1 HD1 HIS 1 0.583 5.383 -6.130 8 HD2 HIS 1 HD2 HIS 1 -0.131 3.640 -2.498 9 HE1 HIS 1 HE1 HIS 1 -0.618 7.022 -4.704 10 HE2 HIS 1 HE2 HIS 1 -1.062 5.995 -2.496 11 H THR 2 H THR 2 1.779 -0.677 -3.834 12 HA THR 2 HA THR 2 0.261 -2.224 -3.521 13 HB THR 2 HB THR 2 -0.800 -2.156 -1.222 14 HG1 THR 2 HG1 THR 2 -0.383 0.393 -1.589 15 HG21 THR 2 HG21 THR 2 1.298 -2.163 -0.051 16 HG22 THR 2 HG22 THR 2 2.019 -1.437 -1.303 17 HG23 THR 2 HG23 THR 2 1.489 -2.958 -1.446 18 H GLY 3 H GLY 3 -0.889 -1.024 -5.441 19 HA2 GLY 3 HA2 GLY 3 -3.658 -0.686 -4.652 20 HA3 GLY 3 HA3 GLY 3 -2.981 0.103 -5.912 21 H SER 4 H SER 4 -2.080 -1.225 -7.693 22 HA SER 4 HA SER 4 -2.369 -2.764 -9.236 23 HB2 SER 4 HB2 SER 4 -1.507 -4.179 -7.323 24 HB3 SER 4 HB3 SER 4 -3.020 -4.791 -7.259 25 HG SER 4 HG SER 4 -1.902 -6.147 -8.497 26 H CYS 5 H CYS 5 -3.991 -5.165 -9.244 27 HA CYS 5 HA CYS 5 -6.582 -3.961 -9.601 28 HB2 CYS 5 HB2 CYS 5 -6.893 -5.454 -11.434 29 HB3 CYS 5 HB3 CYS 5 -5.741 -4.324 -11.687 30 H MET 6 H MET 6 -8.418 -5.574 -9.648 31 HA MET 6 HA MET 6 -7.772 -8.100 -8.379 32 HB2 MET 6 HB2 MET 6 -8.730 -6.666 -6.721 33 HB3 MET 6 HB3 MET 6 -10.080 -6.566 -7.635 34 HG2 MET 6 HG2 MET 6 -9.227 -9.129 -6.952 35 HG3 MET 6 HG3 MET 6 -9.791 -8.214 -5.723 36 HE1 MET 6 HE1 MET 6 -12.733 -10.693 -6.695 37 HE2 MET 6 HE2 MET 6 -11.713 -10.318 -5.497 38 HE3 MET 6 HE3 MET 6 -11.156 -11.020 -6.844 39 H ALA 7 H ALA 7 -8.830 -9.870 -9.394 40 HA ALA 7 HA ALA 7 -10.505 -9.069 -11.596 41 HB1 ALA 7 HB1 ALA 7 -8.370 -9.865 -12.397 42 HB2 ALA 7 HB2 ALA 7 -9.536 -10.866 -12.900 43 HB3 ALA 7 HB3 ALA 7 -8.606 -11.275 -11.642 44 H VAL 8 H VAL 8 -12.251 -10.328 -12.257 45 HA VAL 8 HA VAL 8 -12.975 -12.474 -10.477 46 HB VAL 8 HB VAL 8 -14.849 -10.493 -11.493 47 HG11 VAL 8 HG11 VAL 8 -16.522 -11.595 -10.176 48 HG12 VAL 8 HG12 VAL 8 -15.444 -12.717 -9.737 49 HG13 VAL 8 HG13 VAL 8 -15.924 -12.616 -11.277 50 HG21 VAL 8 HG21 VAL 8 -15.093 -9.773 -9.213 51 HG22 VAL 8 HG22 VAL 8 -13.558 -9.590 -9.688 52 HG23 VAL 8 HG23 VAL 8 -13.971 -10.842 -8.751 53 H TYR 9 H TYR 9 -13.772 -14.352 -11.540 54 HA TYR 9 HA TYR 9 -14.113 -14.039 -14.376 55 HB2 TYR 9 HB2 TYR 9 -12.187 -15.341 -14.064 56 HB3 TYR 9 HB3 TYR 9 -12.950 -16.295 -12.979 57 HD1 TYR 9 HD1 TYR 9 -13.897 -18.336 -13.684 58 HD2 TYR 9 HD2 TYR 9 -13.055 -15.429 -16.502 59 HE1 TYR 9 HE1 TYR 9 -14.530 -19.841 -15.427 60 HE2 TYR 9 HE2 TYR 9 -13.702 -16.930 -18.243 61 HH TYR 9 HH TYR 9 -14.593 -20.256 -17.626 62 H SER 10 H SER 10 -15.998 -14.650 -15.299 63 HA SER 10 HA SER 10 -17.644 -16.492 -13.823 64 HB2 SER 10 HB2 SER 10 -19.582 -15.162 -14.775 65 HB3 SER 10 HB3 SER 10 -18.780 -14.468 -13.533 66 HG SER 10 HG SER 10 -18.325 -13.956 -16.203 67 H VAL 11 H VAL 11 -18.789 -18.093 -15.002 68 HA VAL 11 HA VAL 11 -18.179 -18.288 -17.765 69 HB VAL 11 HB VAL 11 -19.987 -19.926 -16.208 70 HG11 VAL 11 HG11 VAL 11 -20.002 -21.442 -18.062 71 HG12 VAL 11 HG12 VAL 11 -19.100 -20.411 -18.921 72 HG13 VAL 11 HG13 VAL 11 -20.614 -20.015 -18.512 73 HG21 VAL 11 HG21 VAL 11 -18.232 -21.567 -16.275 74 HG22 VAL 11 HG22 VAL 11 -17.698 -20.222 -15.554 75 HG23 VAL 11 HG23 VAL 11 -17.290 -20.533 -17.088 76 H GLU 12 H GLU 12 -19.331 -17.257 -19.373 77 HA GLU 12 HA GLU 12 -21.439 -15.589 -18.601 78 HB2 GLU 12 HB2 GLU 12 -19.886 -15.006 -20.350 79 HB3 GLU 12 HB3 GLU 12 -20.496 -16.204 -21.276 80 HG2 GLU 12 HG2 GLU 12 -21.434 -14.316 -22.103 81 HG3 GLU 12 HG3 GLU 12 -22.616 -14.993 -21.201 82 H ASN 13 H ASN 13 -21.263 -18.234 -20.861 83 HA ASN 13 HA ASN 13 -23.826 -19.194 -20.166 84 HB2 ASN 13 HB2 ASN 13 -24.384 -17.436 -21.742 85 HB3 ASN 13 HB3 ASN 13 -23.511 -18.223 -22.875 86 HD21 ASN 13 HD21 ASN 13 -26.463 -19.639 -24.008 87 HD22 ASN 13 HD22 ASN 13 -25.178 -18.530 -24.351 88 H SER 14 H SER 14 -24.288 -21.314 -21.175 89 HA SER 14 HA SER 14 -22.053 -22.401 -22.620 90 HB2 SER 14 HB2 SER 14 -22.190 -24.458 -21.317 91 HB3 SER 14 HB3 SER 14 -21.793 -23.191 -20.366 92 HG SER 14 HG SER 14 -24.414 -23.912 -20.678 93 H TRP 15 H TRP 15 -22.531 -24.253 -23.983 94 HA TRP 15 HA TRP 15 -25.265 -24.874 -24.420 95 HB2 TRP 15 HB2 TRP 15 -25.234 -24.150 -26.739 96 HB3 TRP 15 HB3 TRP 15 -25.194 -22.901 -25.688 97 HD1 TRP 15 HD1 TRP 15 -23.065 -24.553 -28.226 98 HE1 TRP 15 HE1 TRP 15 -21.018 -23.217 -28.804 99 HE3 TRP 15 HE3 TRP 15 -23.602 -21.032 -24.731 100 HZ2 TRP 15 HZ2 TRP 15 -19.824 -20.905 -27.743 101 HZ3 TRP 15 HZ3 TRP 15 -21.963 -19.291 -24.574 102 HH2 TRP 15 HH2 TRP 15 -20.087 -19.243 -26.063 103 H SER 16 H SER 16 -25.419 -26.438 -26.443 104 HA SER 16 HA SER 16 -23.536 -28.429 -26.117 105 HB2 SER 16 HB2 SER 16 -24.524 -29.206 -28.351 106 HB3 SER 16 HB3 SER 16 -25.483 -29.222 -27.029 107 HG SER 16 HG SER 16 -25.410 -26.906 -28.422 108 H GLY 17 H GLY 17 -21.452 -28.504 -26.699 109 HA2 GLY 17 HA2 GLY 17 -19.931 -28.537 -28.478 110 HA3 GLY 17 HA3 GLY 17 -20.771 -27.367 -29.247 111 H GLY 18 H GLY 18 -20.723 -26.045 -26.360 112 HA2 GLY 18 HA2 GLY 18 -18.153 -25.424 -25.790 113 HA3 GLY 18 HA3 GLY 18 -18.570 -24.369 -26.966 114 H PHE 19 H PHE 19 -17.798 -23.025 -24.969 115 HA PHE 19 HA PHE 19 -20.186 -21.935 -23.892 116 HB2 PHE 19 HB2 PHE 19 -19.570 -22.058 -21.631 117 HB3 PHE 19 HB3 PHE 19 -19.538 -23.572 -22.240 118 HD1 PHE 19 HD1 PHE 19 -17.389 -24.714 -22.620 119 HD2 PHE 19 HD2 PHE 19 -17.582 -21.003 -20.811 120 HE1 PHE 19 HE1 PHE 19 -15.167 -25.004 -21.796 121 HE2 PHE 19 HE2 PHE 19 -15.358 -21.285 -19.987 122 HZ PHE 19 HZ PHE 19 -14.153 -23.295 -20.462 123 H GLN 20 H GLN 20 -19.700 -19.845 -22.608 124 HA GLN 20 HA GLN 20 -17.314 -18.640 -23.691 125 HB2 GLN 20 HB2 GLN 20 -19.924 -17.759 -23.924 126 HB3 GLN 20 HB3 GLN 20 -19.034 -16.617 -23.168 127 HG2 GLN 20 HG2 GLN 20 -17.626 -16.407 -24.971 128 HG3 GLN 20 HG3 GLN 20 -18.248 -17.738 -25.684 129 HE21 GLN 20 HE21 GLN 20 -20.593 -16.041 -27.543 130 HE22 GLN 20 HE22 GLN 20 -19.668 -17.486 -27.302 131 H GLY 21 H GLY 21 -16.091 -17.214 -22.387 132 HA2 GLY 21 HA2 GLY 21 -16.912 -17.164 -19.609 133 HA3 GLY 21 HA3 GLY 21 -15.372 -17.507 -20.030 134 H SER 22 H SER 22 -16.565 -15.296 -18.430 135 HA SER 22 HA SER 22 -15.448 -13.095 -19.932 136 HB2 SER 22 HB2 SER 22 -17.177 -11.716 -18.717 137 HB3 SER 22 HB3 SER 22 -17.723 -12.625 -19.959 138 HG SER 22 HG SER 22 -19.021 -13.470 -18.632 139 H VAL 23 H VAL 23 -14.215 -11.552 -18.800 140 HA VAL 23 HA VAL 23 -13.711 -12.258 -16.076 141 HB VAL 23 HB VAL 23 -11.368 -11.346 -17.400 142 HG11 VAL 23 HG11 VAL 23 -10.316 -13.064 -16.094 143 HG12 VAL 23 HG12 VAL 23 -11.768 -13.606 -15.634 144 HG13 VAL 23 HG13 VAL 23 -11.259 -12.149 -15.152 145 HG21 VAL 23 HG21 VAL 23 -10.866 -13.404 -18.518 146 HG22 VAL 23 HG22 VAL 23 -12.187 -12.731 -19.163 147 HG23 VAL 23 HG23 VAL 23 -12.331 -13.974 -18.139 148 H GLU 24 H GLU 24 -14.025 -10.493 -14.745 149 HA GLU 24 HA GLU 24 -13.778 -7.914 -15.990 150 HB2 GLU 24 HB2 GLU 24 -15.862 -8.608 -14.791 151 HB3 GLU 24 HB3 GLU 24 -15.025 -8.275 -13.429 152 HG2 GLU 24 HG2 GLU 24 -14.675 -6.039 -14.356 153 HG3 GLU 24 HG3 GLU 24 -15.810 -6.423 -15.466 154 H VAL 25 H VAL 25 -12.397 -6.301 -15.236 155 HA VAL 25 HA VAL 25 -10.758 -7.081 -13.021 156 HB VAL 25 HB VAL 25 -9.628 -5.704 -15.322 157 HG11 VAL 25 HG11 VAL 25 -7.512 -6.336 -14.388 158 HG12 VAL 25 HG12 VAL 25 -8.266 -7.063 -13.156 159 HG13 VAL 25 HG13 VAL 25 -8.344 -5.456 -13.316 160 HG21 VAL 25 HG21 VAL 25 -8.721 -7.793 -16.048 161 HG22 VAL 25 HG22 VAL 25 -10.336 -7.862 -16.051 162 HG23 VAL 25 HG23 VAL 25 -9.500 -8.554 -14.853 163 H MET 26 H MET 26 -11.009 -5.666 -11.371 164 HA MET 26 HA MET 26 -11.745 -2.993 -12.054 165 HB2 MET 26 HB2 MET 26 -12.229 -2.820 -9.628 166 HB3 MET 26 HB3 MET 26 -13.191 -3.831 -10.476 167 HG2 MET 26 HG2 MET 26 -11.998 -5.645 -9.738 168 HG3 MET 26 HG3 MET 26 -10.944 -4.668 -8.963 169 HE1 MET 26 HE1 MET 26 -12.840 -3.296 -5.966 170 HE2 MET 26 HE2 MET 26 -12.448 -2.582 -7.362 171 HE3 MET 26 HE3 MET 26 -11.373 -3.526 -6.608 172 H ASN 27 H ASN 27 -10.556 -1.168 -11.675 173 HA ASN 27 HA ASN 27 -7.856 -1.563 -10.959 174 HB2 ASN 27 HB2 ASN 27 -8.601 0.059 -12.639 175 HB3 ASN 27 HB3 ASN 27 -9.137 0.990 -11.408 176 HD21 ASN 27 HD21 ASN 27 -6.074 2.381 -10.580 177 HD22 ASN 27 HD22 ASN 27 -7.758 2.258 -10.195 178 H HIS 28 H HIS 28 -7.540 -2.105 -8.821 179 HA HIS 28 HA HIS 28 -9.103 -0.806 -6.863 180 HB2 HIS 28 HB2 HIS 28 -8.328 -3.180 -6.787 181 HB3 HIS 28 HB3 HIS 28 -6.907 -2.578 -6.252 182 HD1 HIS 28 HD1 HIS 28 -6.940 -1.272 -3.889 183 HD2 HIS 28 HD2 HIS 28 -10.200 -3.559 -4.829 184 HE1 HIS 28 HE1 HIS 28 -8.276 -1.610 -1.822 185 HE2 HIS 28 HE2 HIS 28 -10.258 -2.990 -2.360 186 H GLY 29 H GLY 29 -6.191 -0.184 -8.339 187 HA2 GLY 29 HA2 GLY 29 -4.973 1.229 -6.231 188 HA3 GLY 29 HA3 GLY 29 -4.539 1.286 -7.804 189 H THR 30 H THR 30 -4.508 3.571 -6.196 190 HA THR 30 HA THR 30 -6.799 5.063 -6.999 191 HB THR 30 HB THR 30 -5.856 5.560 -4.836 192 HG1 THR 30 HG1 THR 30 -5.388 7.936 -5.824 193 HG21 THR 30 HG21 THR 30 -3.757 6.711 -4.686 194 HG22 THR 30 HG22 THR 30 -3.565 6.605 -6.288 195 HG23 THR 30 HG23 THR 30 -3.509 5.270 -5.377 196 H GLU 31 H GLU 31 -4.268 3.938 -8.484 197 HA GLU 31 HA GLU 31 -3.987 6.160 -10.332 198 HB2 GLU 31 HB2 GLU 31 -1.929 4.195 -9.868 199 HB3 GLU 31 HB3 GLU 31 -1.759 5.624 -10.641 200 HG2 GLU 31 HG2 GLU 31 -1.999 6.773 -8.600 201 HG3 GLU 31 HG3 GLU 31 -2.217 5.357 -7.816 202 HA PRO 32 HA PRO 32 -5.617 2.979 -12.869 203 HB2 PRO 32 HB2 PRO 32 -5.772 4.200 -15.231 204 HB3 PRO 32 HB3 PRO 32 -6.809 4.635 -14.047 205 HG2 PRO 32 HG2 PRO 32 -4.395 5.928 -14.823 206 HG3 PRO 32 HG3 PRO 32 -5.837 6.613 -14.480 207 HD2 PRO 32 HD2 PRO 32 -3.911 6.552 -12.708 208 HD3 PRO 32 HD3 PRO 32 -5.478 6.528 -12.251 209 H LEU 33 H LEU 33 -4.641 1.178 -13.413 210 HA LEU 33 HA LEU 33 -2.129 1.523 -14.780 211 HB2 LEU 33 HB2 LEU 33 -2.960 -0.666 -13.086 212 HB3 LEU 33 HB3 LEU 33 -1.533 -0.651 -13.881 213 HG LEU 33 HG LEU 33 -2.236 1.287 -11.869 214 HD11 LEU 33 HD11 LEU 33 -0.757 0.110 -10.398 215 HD12 LEU 33 HD12 LEU 33 -0.532 -1.026 -11.527 216 HD13 LEU 33 HD13 LEU 33 -1.983 -0.849 -10.836 217 HD21 LEU 33 HD21 LEU 33 0.085 1.898 -11.958 218 HD22 LEU 33 HD22 LEU 33 -0.595 2.101 -13.411 219 HD23 LEU 33 HD23 LEU 33 0.332 0.807 -13.125 220 H ASN 34 H ASN 34 -2.749 1.602 -16.887 221 HA ASN 34 HA ASN 34 -4.402 -0.464 -17.887 222 HB2 ASN 34 HB2 ASN 34 -4.432 1.878 -18.706 223 HB3 ASN 34 HB3 ASN 34 -3.087 1.492 -19.548 224 HD21 ASN 34 HD21 ASN 34 -5.565 1.079 -22.075 225 HD22 ASN 34 HD22 ASN 34 -4.568 2.288 -21.338 226 H GLY 35 H GLY 35 -3.857 -2.019 -19.551 227 HA2 GLY 35 HA2 GLY 35 -2.283 -3.194 -20.765 228 HA3 GLY 35 HA3 GLY 35 -1.067 -2.343 -20.086 229 H TRP 36 H TRP 36 -3.209 -3.336 -17.808 230 HA TRP 36 HA TRP 36 -1.455 -5.115 -16.610 231 HB2 TRP 36 HB2 TRP 36 -3.269 -5.521 -15.059 232 HB3 TRP 36 HB3 TRP 36 -2.958 -3.931 -15.265 233 HD1 TRP 36 HD1 TRP 36 -5.086 -5.562 -17.820 234 HE1 TRP 36 HE1 TRP 36 -7.476 -4.790 -17.724 235 HE3 TRP 36 HE3 TRP 36 -4.739 -2.962 -13.577 236 HZ2 TRP 36 HZ2 TRP 36 -8.965 -3.265 -15.895 237 HZ3 TRP 36 HZ3 TRP 36 -6.689 -1.879 -12.716 238 HH2 TRP 36 HH2 TRP 36 -8.788 -2.048 -13.860 239 H ALA 37 H ALA 37 -2.195 -7.381 -15.833 240 HA ALA 37 HA ALA 37 -3.359 -8.760 -18.061 241 HB1 ALA 37 HB1 ALA 37 -0.962 -8.908 -18.328 242 HB2 ALA 37 HB2 ALA 37 -1.556 -10.383 -18.034 243 HB3 ALA 37 HB3 ALA 37 -0.832 -9.552 -16.851 244 H VAL 38 H VAL 38 -4.568 -10.581 -17.666 245 HA VAL 38 HA VAL 38 -4.844 -11.315 -14.892 246 HB VAL 38 HB VAL 38 -6.744 -11.971 -16.986 247 HG11 VAL 38 HG11 VAL 38 -8.266 -12.385 -15.186 248 HG12 VAL 38 HG12 VAL 38 -7.112 -12.010 -14.116 249 HG13 VAL 38 HG13 VAL 38 -6.964 -13.333 -15.035 250 HG21 VAL 38 HG21 VAL 38 -8.075 -10.127 -16.257 251 HG22 VAL 38 HG22 VAL 38 -6.651 -9.597 -16.811 252 HG23 VAL 38 HG23 VAL 38 -6.915 -9.692 -15.218 253 H GLN 39 H GLN 39 -4.113 -13.390 -14.280 254 HA GLN 39 HA GLN 39 -3.588 -15.164 -16.455 255 HB2 GLN 39 HB2 GLN 39 -1.571 -15.420 -14.541 256 HB3 GLN 39 HB3 GLN 39 -1.394 -15.190 -16.149 257 HG2 GLN 39 HG2 GLN 39 -1.579 -12.854 -15.837 258 HG3 GLN 39 HG3 GLN 39 -1.762 -13.082 -14.230 259 HE21 GLN 39 HE21 GLN 39 1.900 -13.794 -15.847 260 HE22 GLN 39 HE22 GLN 39 0.455 -14.115 -16.747 261 H TRP 40 H TRP 40 -3.767 -17.383 -16.113 262 HA TRP 40 HA TRP 40 -3.796 -18.382 -13.486 263 HB2 TRP 40 HB2 TRP 40 -5.987 -19.308 -13.501 264 HB3 TRP 40 HB3 TRP 40 -6.076 -17.683 -13.638 265 HD1 TRP 40 HD1 TRP 40 -6.849 -20.746 -15.548 266 HE1 TRP 40 HE1 TRP 40 -8.238 -20.295 -17.589 267 HE3 TRP 40 HE3 TRP 40 -6.597 -15.764 -15.392 268 HZ2 TRP 40 HZ2 TRP 40 -9.111 -17.959 -18.888 269 HZ3 TRP 40 HZ3 TRP 40 -7.752 -14.490 -17.063 270 HH2 TRP 40 HH2 TRP 40 -9.014 -15.588 -18.780 271 H GLN 41 H GLN 41 -3.951 -20.819 -13.428 272 HA GLN 41 HA GLN 41 -2.793 -21.960 -15.755 273 HB2 GLN 41 HB2 GLN 41 -2.167 -22.694 -13.560 274 HB3 GLN 41 HB3 GLN 41 -3.668 -23.306 -13.360 275 HG2 GLN 41 HG2 GLN 41 -3.279 -24.896 -15.033 276 HG3 GLN 41 HG3 GLN 41 -1.813 -24.247 -15.343 277 HE21 GLN 41 HE21 GLN 41 -2.315 -26.486 -11.993 278 HE22 GLN 41 HE22 GLN 41 -3.640 -25.608 -12.681 279 HA PRO 42 HA PRO 42 -6.743 -22.898 -17.375 280 HB2 PRO 42 HB2 PRO 42 -6.138 -24.643 -19.321 281 HB3 PRO 42 HB3 PRO 42 -5.839 -23.053 -19.541 282 HG2 PRO 42 HG2 PRO 42 -4.009 -25.071 -18.687 283 HG3 PRO 42 HG3 PRO 42 -3.772 -23.923 -19.824 284 HD2 PRO 42 HD2 PRO 42 -2.834 -23.572 -17.444 285 HD3 PRO 42 HD3 PRO 42 -3.426 -22.294 -18.271 286 H GLY 43 H GLY 43 -8.425 -24.381 -17.316 287 HA2 GLY 43 HA2 GLY 43 -8.023 -26.281 -15.288 288 HA3 GLY 43 HA3 GLY 43 -9.413 -26.022 -16.105 289 H GLY 44 H GLY 44 -8.336 -28.566 -15.299 290 HA2 GLY 44 HA2 GLY 44 -7.244 -29.798 -17.572 291 HA3 GLY 44 HA3 GLY 44 -7.820 -30.562 -16.248 292 H GLY 45 H GLY 45 -8.243 -30.223 -19.456 293 HA2 GLY 45 HA2 GLY 45 -9.931 -31.427 -20.549 294 HA3 GLY 45 HA3 GLY 45 -10.944 -31.202 -19.288 295 H THR 46 H THR 46 -9.619 -28.306 -19.652 296 HA THR 46 HA THR 46 -11.615 -27.509 -21.536 297 HB THR 46 HB THR 46 -11.186 -25.200 -20.312 298 HG1 THR 46 HG1 THR 46 -11.092 -26.281 -18.004 299 HG21 THR 46 HG21 THR 46 -13.079 -25.662 -18.924 300 HG22 THR 46 HG22 THR 46 -12.908 -27.248 -19.188 301 HG23 THR 46 HG23 THR 46 -13.358 -26.272 -20.396 302 H THR 47 H THR 47 -11.199 -25.847 -23.093 303 HA THR 47 HA THR 47 -8.562 -24.800 -23.215 304 HB THR 47 HB THR 47 -8.316 -26.854 -24.487 305 HG1 THR 47 HG1 THR 47 -6.974 -25.181 -25.013 306 HG21 THR 47 HG21 THR 47 -9.440 -27.058 -26.592 307 HG22 THR 47 HG22 THR 47 -10.230 -25.673 -26.325 308 HG23 THR 47 HG23 THR 47 -10.550 -26.973 -25.418 309 H LEU 48 H LEU 48 -8.399 -23.049 -24.963 310 HA LEU 48 HA LEU 48 -11.020 -21.922 -25.325 311 HB2 LEU 48 HB2 LEU 48 -10.170 -19.765 -24.803 312 HB3 LEU 48 HB3 LEU 48 -9.882 -20.786 -23.561 313 HG LEU 48 HG LEU 48 -7.622 -20.948 -24.859 314 HD11 LEU 48 HD11 LEU 48 -6.955 -18.738 -25.488 315 HD12 LEU 48 HD12 LEU 48 -8.446 -18.194 -25.180 316 HD13 LEU 48 HD13 LEU 48 -8.197 -19.222 -26.403 317 HD21 LEU 48 HD21 LEU 48 -6.733 -19.546 -23.116 318 HD22 LEU 48 HD22 LEU 48 -7.817 -20.573 -22.496 319 HD23 LEU 48 HD23 LEU 48 -8.226 -19.031 -22.765 320 H GLY 49 H GLY 49 -11.241 -20.204 -26.997 321 HA2 GLY 49 HA2 GLY 49 -9.342 -20.631 -29.134 322 HA3 GLY 49 HA3 GLY 49 -10.950 -20.651 -29.419 323 H GLY 50 H GLY 50 -12.103 -18.778 -29.756 324 HA2 GLY 50 HA2 GLY 50 -10.581 -16.526 -30.388 325 HA3 GLY 50 HA3 GLY 50 -12.212 -16.611 -30.387 326 H VAL 51 H VAL 51 -10.411 -14.473 -29.509 327 HA VAL 51 HA VAL 51 -11.346 -14.213 -26.791 328 HB VAL 51 HB VAL 51 -8.702 -13.392 -27.677 329 HG11 VAL 51 HG11 VAL 51 -8.264 -12.836 -25.389 330 HG12 VAL 51 HG12 VAL 51 -9.784 -13.227 -24.996 331 HG13 VAL 51 HG13 VAL 51 -9.497 -11.950 -25.946 332 HG21 VAL 51 HG21 VAL 51 -7.855 -15.152 -26.274 333 HG22 VAL 51 HG22 VAL 51 -8.806 -15.774 -27.425 334 HG23 VAL 51 HG23 VAL 51 -9.367 -15.601 -25.919 335 H TRP 52 H TRP 52 -12.007 -12.095 -26.158 336 HA TRP 52 HA TRP 52 -11.907 -10.091 -28.177 337 HB2 TRP 52 HB2 TRP 52 -14.399 -9.756 -27.772 338 HB3 TRP 52 HB3 TRP 52 -13.911 -10.860 -28.872 339 HD1 TRP 52 HD1 TRP 52 -14.190 -13.455 -28.180 340 HE1 TRP 52 HE1 TRP 52 -15.716 -14.675 -26.604 341 HE3 TRP 52 HE3 TRP 52 -15.651 -9.491 -25.523 342 HZ2 TRP 52 HZ2 TRP 52 -17.364 -13.889 -24.471 343 HZ3 TRP 52 HZ3 TRP 52 -17.225 -9.804 -23.741 344 HH2 TRP 52 HH2 TRP 52 -18.076 -11.985 -23.232 345 H ASN 53 H ASN 53 -12.652 -7.944 -27.482 346 HA ASN 53 HA ASN 53 -12.451 -6.293 -26.076 347 HB2 ASN 53 HB2 ASN 53 -13.414 -8.184 -24.136 348 HB3 ASN 53 HB3 ASN 53 -13.029 -6.673 -23.648 349 HD21 ASN 53 HD21 ASN 53 -16.660 -6.915 -24.391 350 HD22 ASN 53 HD22 ASN 53 -15.589 -7.897 -23.450 351 H GLY 54 H GLY 54 -10.199 -8.147 -26.552 352 HA2 GLY 54 HA2 GLY 54 -8.166 -6.787 -25.447 353 HA3 GLY 54 HA3 GLY 54 -8.507 -7.910 -24.311 354 H SER 55 H SER 55 -6.207 -8.592 -24.843 355 HA SER 55 HA SER 55 -6.306 -10.462 -27.042 356 HB2 SER 55 HB2 SER 55 -4.867 -8.602 -27.631 357 HB3 SER 55 HB3 SER 55 -3.939 -8.929 -26.327 358 HG SER 55 HG SER 55 -3.582 -11.008 -27.260 359 H LEU 56 H LEU 56 -4.948 -12.406 -26.817 360 HA LEU 56 HA LEU 56 -4.321 -12.915 -24.052 361 HB2 LEU 56 HB2 LEU 56 -6.273 -14.130 -24.954 362 HB3 LEU 56 HB3 LEU 56 -5.204 -14.986 -25.844 363 HG LEU 56 HG LEU 56 -4.690 -15.094 -23.099 364 HD11 LEU 56 HD11 LEU 56 -6.526 -16.573 -22.600 365 HD12 LEU 56 HD12 LEU 56 -7.132 -16.321 -24.078 366 HD13 LEU 56 HD13 LEU 56 -7.091 -15.113 -23.004 367 HD21 LEU 56 HD21 LEU 56 -4.373 -17.423 -23.574 368 HD22 LEU 56 HD22 LEU 56 -3.544 -16.525 -24.633 369 HD23 LEU 56 HD23 LEU 56 -4.946 -17.201 -25.070 370 H THR 57 H THR 57 -2.512 -14.103 -23.526 371 HA THR 57 HA THR 57 -0.832 -14.927 -25.694 372 HB THR 57 HB THR 57 1.133 -14.052 -24.418 373 HG1 THR 57 HG1 THR 57 -0.065 -12.174 -23.110 374 HG21 THR 57 HG21 THR 57 0.862 -11.788 -25.170 375 HG22 THR 57 HG22 THR 57 -0.730 -12.016 -25.339 376 HG23 THR 57 HG23 THR 57 0.305 -12.781 -26.318 377 H SER 58 H SER 58 0.629 -16.720 -25.141 378 HA SER 58 HA SER 58 -0.226 -18.203 -22.874 379 HB2 SER 58 HB2 SER 58 1.432 -19.842 -23.697 380 HB3 SER 58 HB3 SER 58 0.300 -19.465 -24.812 381 HG SER 58 HG SER 58 2.894 -18.579 -24.672 382 H GLY 59 H GLY 59 0.947 -18.613 -20.961 383 HA2 GLY 59 HA2 GLY 59 3.170 -16.855 -20.521 384 HA3 GLY 59 HA3 GLY 59 2.394 -17.726 -19.378 385 H SER 60 H SER 60 5.226 -17.585 -19.629 386 HA SER 60 HA SER 60 6.183 -19.805 -20.977 387 HB2 SER 60 HB2 SER 60 7.454 -18.422 -18.744 388 HB3 SER 60 HB3 SER 60 8.250 -19.372 -19.808 389 HG SER 60 HG SER 60 7.738 -17.931 -21.443 390 H ASP 61 H ASP 61 4.645 -19.456 -18.018 391 HA ASP 61 HA ASP 61 5.662 -21.845 -16.896 392 HB2 ASP 61 HB2 ASP 61 3.531 -20.178 -15.834 393 HB3 ASP 61 HB3 ASP 61 4.427 -21.230 -14.962 394 H GLY 62 H GLY 62 3.710 -21.573 -19.292 395 HA2 GLY 62 HA2 GLY 62 2.272 -23.131 -20.127 396 HA3 GLY 62 HA3 GLY 62 2.308 -23.962 -18.721 397 H THR 63 H THR 63 1.650 -20.729 -18.323 398 HA THR 63 HA THR 63 -1.069 -21.325 -17.687 399 HB THR 63 HB THR 63 -0.976 -19.069 -16.584 400 HG1 THR 63 HG1 THR 63 1.709 -19.246 -17.212 401 HG21 THR 63 HG21 THR 63 0.408 -19.798 -14.760 402 HG22 THR 63 HG22 THR 63 1.063 -20.945 -15.692 403 HG23 THR 63 HG23 THR 63 -0.489 -21.049 -15.252 404 H VAL 64 H VAL 64 -2.751 -19.520 -18.154 405 HA VAL 64 HA VAL 64 -2.188 -18.437 -20.764 406 HB VAL 64 HB VAL 64 -4.610 -18.346 -21.106 407 HG11 VAL 64 HG11 VAL 64 -4.833 -20.697 -21.568 408 HG12 VAL 64 HG12 VAL 64 -3.535 -21.002 -20.654 409 HG13 VAL 64 HG13 VAL 64 -3.375 -20.180 -22.037 410 HG21 VAL 64 HG21 VAL 64 -6.020 -19.608 -19.649 411 HG22 VAL 64 HG22 VAL 64 -5.330 -18.391 -18.838 412 HG23 VAL 64 HG23 VAL 64 -4.764 -19.896 -18.673 413 H THR 65 H THR 65 -2.628 -16.228 -21.220 414 HA THR 65 HA THR 65 -3.181 -14.680 -18.889 415 HB THR 65 HB THR 65 -0.820 -14.228 -20.574 416 HG1 THR 65 HG1 THR 65 -0.400 -14.630 -17.962 417 HG21 THR 65 HG21 THR 65 -0.225 -12.482 -19.055 418 HG22 THR 65 HG22 THR 65 -1.577 -12.737 -18.205 419 HG23 THR 65 HG23 THR 65 -1.665 -12.136 -19.704 420 H VAL 66 H VAL 66 -4.842 -13.326 -19.293 421 HA VAL 66 HA VAL 66 -5.116 -12.339 -21.956 422 HB VAL 66 HB VAL 66 -7.110 -11.609 -20.032 423 HG11 VAL 66 HG11 VAL 66 -8.602 -12.038 -21.866 424 HG12 VAL 66 HG12 VAL 66 -7.367 -12.596 -22.748 425 HG13 VAL 66 HG13 VAL 66 -7.427 -11.032 -22.338 426 HG21 VAL 66 HG21 VAL 66 -8.171 -13.747 -20.063 427 HG22 VAL 66 HG22 VAL 66 -6.711 -13.864 -19.378 428 HG23 VAL 66 HG23 VAL 66 -6.931 -14.360 -20.901 429 H ARG 67 H ARG 67 -4.674 -10.176 -22.513 430 HA ARG 67 HA ARG 67 -4.375 -8.316 -20.395 431 HB2 ARG 67 HB2 ARG 67 -2.081 -7.820 -20.903 432 HB3 ARG 67 HB3 ARG 67 -2.226 -9.392 -20.488 433 HG2 ARG 67 HG2 ARG 67 -2.263 -9.888 -22.884 434 HG3 ARG 67 HG3 ARG 67 -1.790 -8.343 -23.121 435 HD2 ARG 67 HD2 ARG 67 -0.303 -10.345 -21.667 436 HD3 ARG 67 HD3 ARG 67 0.137 -9.687 -23.095 437 HE ARG 67 HE ARG 67 0.337 -8.449 -20.519 438 HH11 ARG 67 HH11 ARG 67 1.584 -6.607 -20.362 439 HH12 ARG 67 HH12 ARG 67 2.264 -5.882 -21.781 440 HH21 ARG 67 HH21 ARG 67 0.892 -8.193 -23.988 441 HH22 ARG 67 HH22 ARG 67 1.874 -6.776 -23.824 442 H ASN 68 H ASN 68 -3.631 -6.093 -21.135 443 HA ASN 68 HA ASN 68 -3.899 -4.395 -22.474 444 HB2 ASN 68 HB2 ASN 68 -3.176 -6.355 -24.464 445 HB3 ASN 68 HB3 ASN 68 -3.446 -4.816 -24.938 446 HD21 ASN 68 HD21 ASN 68 -0.224 -3.808 -24.340 447 HD22 ASN 68 HD22 ASN 68 -1.660 -3.678 -25.300 448 H VAL 69 H VAL 69 -6.169 -4.363 -21.747 449 HA VAL 69 HA VAL 69 -8.234 -4.971 -23.381 450 HB VAL 69 HB VAL 69 -7.900 -2.760 -21.543 451 HG11 VAL 69 HG11 VAL 69 -10.185 -2.125 -21.807 452 HG12 VAL 69 HG12 VAL 69 -10.348 -3.187 -23.015 453 HG13 VAL 69 HG13 VAL 69 -9.385 -1.901 -23.195 454 HG21 VAL 69 HG21 VAL 69 -9.534 -3.951 -20.242 455 HG22 VAL 69 HG22 VAL 69 -8.288 -4.925 -20.582 456 HG23 VAL 69 HG23 VAL 69 -9.668 -5.057 -21.415 457 H ASP 70 H ASP 70 -9.032 -4.282 -25.327 458 HA ASP 70 HA ASP 70 -7.495 -2.324 -26.685 459 HB2 ASP 70 HB2 ASP 70 -8.634 -3.066 -28.645 460 HB3 ASP 70 HB3 ASP 70 -8.177 -4.385 -27.796 461 H HIS 71 H HIS 71 -10.601 -2.642 -25.299 462 HA HIS 71 HA HIS 71 -11.681 -0.522 -26.780 463 HB2 HIS 71 HB2 HIS 71 -13.738 -1.004 -25.521 464 HB3 HIS 71 HB3 HIS 71 -13.142 -2.304 -26.310 465 HD1 HIS 71 HD1 HIS 71 -13.718 -0.968 -22.923 466 HD2 HIS 71 HD2 HIS 71 -12.281 -4.384 -24.662 467 HE1 HIS 71 HE1 HIS 71 -13.555 -2.726 -21.174 468 HE2 HIS 71 HE2 HIS 71 -12.682 -4.803 -22.196 469 H ASN 72 H ASN 72 -9.593 -0.153 -24.559 470 HA ASN 72 HA ASN 72 -10.829 2.291 -23.677 471 HB2 ASN 72 HB2 ASN 72 -9.659 2.203 -21.624 472 HB3 ASN 72 HB3 ASN 72 -10.477 0.801 -21.811 473 HD21 ASN 72 HD21 ASN 72 -7.320 -0.328 -20.565 474 HD22 ASN 72 HD22 ASN 72 -8.758 0.450 -19.994 475 H ARG 73 H ARG 73 -9.157 1.620 -26.026 476 HA ARG 73 HA ARG 73 -6.673 2.744 -25.492 477 HB2 ARG 73 HB2 ARG 73 -6.206 2.386 -27.815 478 HB3 ARG 73 HB3 ARG 73 -7.018 1.089 -27.246 479 HG2 ARG 73 HG2 ARG 73 -8.994 1.841 -28.247 480 HG3 ARG 73 HG3 ARG 73 -8.257 3.215 -28.731 481 HD2 ARG 73 HD2 ARG 73 -7.503 0.592 -29.668 482 HD3 ARG 73 HD3 ARG 73 -8.434 1.626 -30.524 483 HE ARG 73 HE ARG 73 -5.620 1.739 -30.216 484 HH11 ARG 73 HH11 ARG 73 -4.487 3.317 -31.332 485 HH12 ARG 73 HH12 ARG 73 -5.331 4.609 -32.118 486 HH21 ARG 73 HH21 ARG 73 -8.493 3.561 -31.136 487 HH22 ARG 73 HH22 ARG 73 -7.580 4.747 -32.008 488 H VAL 74 H VAL 74 -9.509 4.256 -25.900 489 HA VAL 74 HA VAL 74 -8.382 6.473 -27.307 490 HB VAL 74 HB VAL 74 -11.190 6.058 -26.652 491 HG11 VAL 74 HG11 VAL 74 -11.667 7.840 -28.185 492 HG12 VAL 74 HG12 VAL 74 -10.084 8.067 -28.423 493 HG13 VAL 74 HG13 VAL 74 -10.738 8.384 -26.979 494 HG21 VAL 74 HG21 VAL 74 -11.486 5.457 -28.962 495 HG22 VAL 74 HG22 VAL 74 -10.444 4.440 -28.259 496 HG23 VAL 74 HG23 VAL 74 -9.898 5.625 -29.214 497 H VAL 75 H VAL 75 -10.154 5.738 -24.415 498 HA VAL 75 HA VAL 75 -9.100 8.125 -23.162 499 HB VAL 75 HB VAL 75 -11.713 6.988 -22.624 500 HG11 VAL 75 HG11 VAL 75 -12.059 8.840 -21.145 501 HG12 VAL 75 HG12 VAL 75 -10.548 9.346 -21.417 502 HG13 VAL 75 HG13 VAL 75 -10.806 7.953 -20.638 503 HG21 VAL 75 HG21 VAL 75 -12.604 9.006 -23.585 504 HG22 VAL 75 HG22 VAL 75 -11.718 8.217 -24.684 505 HG23 VAL 75 HG23 VAL 75 -11.105 9.508 -23.928 506 HA PRO 76 HA PRO 76 -7.393 4.953 -20.675 507 HB2 PRO 76 HB2 PRO 76 -6.556 6.332 -18.526 508 HB3 PRO 76 HB3 PRO 76 -5.704 6.390 -19.918 509 HG2 PRO 76 HG2 PRO 76 -7.640 8.265 -18.977 510 HG3 PRO 76 HG3 PRO 76 -6.164 8.579 -19.602 511 HD2 PRO 76 HD2 PRO 76 -8.236 8.801 -21.115 512 HD3 PRO 76 HD3 PRO 76 -6.862 8.179 -21.742 513 HA PRO 77 HA PRO 77 -10.573 3.764 -18.191 514 HB2 PRO 77 HB2 PRO 77 -9.547 1.817 -16.676 515 HB3 PRO 77 HB3 PRO 77 -9.725 1.560 -18.279 516 HG2 PRO 77 HG2 PRO 77 -7.366 2.373 -16.891 517 HG3 PRO 77 HG3 PRO 77 -7.506 1.209 -18.028 518 HD2 PRO 77 HD2 PRO 77 -6.639 3.575 -18.678 519 HD3 PRO 77 HD3 PRO 77 -7.546 2.718 -19.731 520 H ASP 78 H ASP 78 -11.712 4.220 -16.420 521 HA ASP 78 HA ASP 78 -10.225 5.084 -14.107 522 HB2 ASP 78 HB2 ASP 78 -10.875 7.045 -15.386 523 HB3 ASP 78 HB3 ASP 78 -12.432 6.648 -15.096 524 H GLY 79 H GLY 79 -11.059 2.670 -14.022 525 HA2 GLY 79 HA2 GLY 79 -12.992 2.251 -12.233 526 HA3 GLY 79 HA3 GLY 79 -13.841 2.404 -13.619 527 H SER 80 H SER 80 -14.604 0.244 -13.570 528 HA SER 80 HA SER 80 -12.571 -1.755 -13.825 529 HB2 SER 80 HB2 SER 80 -14.478 -2.122 -12.287 530 HB3 SER 80 HB3 SER 80 -15.433 -2.259 -13.605 531 HG SER 80 HG SER 80 -14.980 -4.264 -13.365 532 H VAL 81 H VAL 81 -12.384 -3.213 -15.571 533 HA VAL 81 HA VAL 81 -14.105 -2.714 -17.806 534 HB VAL 81 HB VAL 81 -12.173 -2.867 -19.335 535 HG11 VAL 81 HG11 VAL 81 -11.589 -0.549 -19.121 536 HG12 VAL 81 HG12 VAL 81 -12.255 -0.513 -17.648 537 HG13 VAL 81 HG13 VAL 81 -13.186 -0.734 -18.951 538 HG21 VAL 81 HG21 VAL 81 -10.013 -2.367 -18.434 539 HG22 VAL 81 HG22 VAL 81 -10.570 -3.749 -17.807 540 HG23 VAL 81 HG23 VAL 81 -10.627 -2.386 -16.939 541 H THR 82 H THR 82 -13.872 -4.560 -19.517 542 HA THR 82 HA THR 82 -13.284 -6.948 -18.072 543 HB THR 82 HB THR 82 -15.723 -6.614 -18.114 544 HG1 THR 82 HG1 THR 82 -16.316 -8.645 -18.795 545 HG21 THR 82 HG21 THR 82 -16.894 -6.774 -20.203 546 HG22 THR 82 HG22 THR 82 -15.492 -6.917 -20.996 547 HG23 THR 82 HG23 THR 82 -15.875 -5.521 -20.275 548 H PHE 83 H PHE 83 -12.950 -8.926 -19.198 549 HA PHE 83 HA PHE 83 -12.116 -8.629 -21.950 550 HB2 PHE 83 HB2 PHE 83 -11.056 -10.416 -19.935 551 HB3 PHE 83 HB3 PHE 83 -10.660 -10.541 -21.515 552 HD1 PHE 83 HD1 PHE 83 -9.214 -8.879 -22.570 553 HD2 PHE 83 HD2 PHE 83 -10.036 -8.765 -18.524 554 HE1 PHE 83 HE1 PHE 83 -7.298 -7.496 -22.226 555 HE2 PHE 83 HE2 PHE 83 -8.123 -7.377 -18.171 556 HZ PHE 83 HZ PHE 83 -6.727 -6.773 -20.017 557 H GLY 84 H GLY 84 -12.496 -10.785 -23.225 558 HA2 GLY 84 HA2 GLY 84 -14.049 -12.718 -21.838 559 HA3 GLY 84 HA3 GLY 84 -14.854 -11.966 -23.043 560 H PHE 85 H PHE 85 -14.423 -14.737 -23.010 561 HA PHE 85 HA PHE 85 -13.119 -14.977 -25.507 562 HB2 PHE 85 HB2 PHE 85 -11.623 -16.733 -24.829 563 HB3 PHE 85 HB3 PHE 85 -11.261 -15.329 -24.078 564 HD1 PHE 85 HD1 PHE 85 -11.542 -15.079 -21.691 565 HD2 PHE 85 HD2 PHE 85 -12.532 -18.615 -23.585 566 HE1 PHE 85 HE1 PHE 85 -11.679 -16.170 -19.572 567 HE2 PHE 85 HE2 PHE 85 -12.676 -19.714 -21.469 568 HZ PHE 85 HZ PHE 85 -12.231 -18.495 -19.457 569 H THR 86 H THR 86 -13.369 -17.208 -26.478 570 HA THR 86 HA THR 86 -15.680 -18.519 -25.346 571 HB THR 86 HB THR 86 -16.198 -17.678 -27.527 572 HG1 THR 86 HG1 THR 86 -17.475 -19.280 -27.541 573 HG21 THR 86 HG21 THR 86 -15.112 -18.593 -29.453 574 HG22 THR 86 HG22 THR 86 -14.134 -19.468 -28.508 575 HG23 THR 86 HG23 THR 86 -14.005 -17.856 -28.533 576 H ALA 87 H ALA 87 -15.697 -20.877 -25.313 577 HA ALA 87 HA ALA 87 -13.145 -22.092 -25.572 578 HB1 ALA 87 HB1 ALA 87 -12.979 -21.026 -23.408 579 HB2 ALA 87 HB2 ALA 87 -12.971 -22.630 -23.209 580 HB3 ALA 87 HB3 ALA 87 -14.320 -21.787 -22.923 581 H THR 88 H THR 88 -13.120 -24.428 -24.877 582 HA THR 88 HA THR 88 -15.751 -25.551 -25.027 583 HB THR 88 HB THR 88 -14.755 -27.443 -26.343 584 HG1 THR 88 HG1 THR 88 -12.591 -26.554 -25.711 585 HG21 THR 88 HG21 THR 88 -14.855 -26.263 -28.424 586 HG22 THR 88 HG22 THR 88 -14.724 -24.850 -27.650 587 HG23 THR 88 HG23 THR 88 -16.061 -25.744 -27.480 588 H SER 89 H SER 89 -15.831 -27.885 -24.224 589 HA SER 89 HA SER 89 -13.753 -28.445 -22.349 590 HB2 SER 89 HB2 SER 89 -15.390 -27.308 -21.006 591 HB3 SER 89 HB3 SER 89 -16.551 -28.331 -21.528 592 HG SER 89 HG SER 89 -15.248 -28.615 -19.428 593 H THR 90 H THR 90 -13.550 -30.648 -21.686 594 HA THR 90 HA THR 90 -14.735 -32.470 -23.476 595 HB THR 90 HB THR 90 -13.358 -34.138 -22.163 596 HG1 THR 90 HG1 THR 90 -13.464 -32.721 -20.289 597 HG21 THR 90 HG21 THR 90 -11.255 -33.344 -22.997 598 HG22 THR 90 HG22 THR 90 -11.874 -31.865 -23.205 599 HG23 THR 90 HG23 THR 90 -12.382 -33.091 -24.129 600 H GLY 91 H GLY 91 -15.825 -31.024 -20.843 601 HA2 GLY 91 HA2 GLY 91 -17.804 -31.643 -19.761 602 HA3 GLY 91 HA3 GLY 91 -17.515 -33.221 -20.068 603 H ASN 92 H ASN 92 -14.666 -32.056 -19.166 604 HA ASN 92 HA ASN 92 -14.942 -32.923 -16.459 605 HB2 ASN 92 HB2 ASN 92 -12.588 -32.168 -17.948 606 HB3 ASN 92 HB3 ASN 92 -12.530 -32.646 -16.388 607 HD21 ASN 92 HD21 ASN 92 -13.404 -36.059 -17.118 608 HD22 ASN 92 HD22 ASN 92 -13.826 -34.806 -15.999 609 H ASP 93 H ASP 93 -16.477 -31.039 -16.136 610 HA ASP 93 HA ASP 93 -15.308 -28.486 -16.324 611 HB2 ASP 93 HB2 ASP 93 -17.967 -29.239 -15.413 612 HB3 ASP 93 HB3 ASP 93 -17.530 -27.695 -15.715 613 H PHE 94 H PHE 94 -14.194 -30.237 -14.316 614 HA PHE 94 HA PHE 94 -14.974 -29.090 -11.850 615 HB2 PHE 94 HB2 PHE 94 -12.848 -30.952 -12.461 616 HB3 PHE 94 HB3 PHE 94 -13.185 -30.477 -10.935 617 HD1 PHE 94 HD1 PHE 94 -15.623 -30.913 -10.135 618 HD2 PHE 94 HD2 PHE 94 -13.807 -32.919 -13.260 619 HE1 PHE 94 HE1 PHE 94 -17.223 -32.674 -9.928 620 HE2 PHE 94 HE2 PHE 94 -15.393 -34.694 -13.044 621 HZ PHE 94 HZ PHE 94 -17.107 -34.572 -11.379 622 HA PRO 95 HA PRO 95 -12.020 -25.886 -12.173 623 HB2 PRO 95 HB2 PRO 95 -12.174 -24.768 -9.766 624 HB3 PRO 95 HB3 PRO 95 -13.434 -24.589 -10.790 625 HG2 PRO 95 HG2 PRO 95 -13.155 -26.491 -8.680 626 HG3 PRO 95 HG3 PRO 95 -14.449 -25.554 -9.016 627 HD2 PRO 95 HD2 PRO 95 -14.369 -28.039 -9.807 628 HD3 PRO 95 HD3 PRO 95 -15.137 -26.909 -10.702 629 H VAL 96 H VAL 96 -9.923 -25.218 -11.559 630 HA VAL 96 HA VAL 96 -8.654 -27.209 -9.932 631 HB VAL 96 HB VAL 96 -7.427 -25.987 -12.278 632 HG11 VAL 96 HG11 VAL 96 -5.583 -27.479 -11.924 633 HG12 VAL 96 HG12 VAL 96 -6.285 -28.036 -10.577 634 HG13 VAL 96 HG13 VAL 96 -5.759 -26.508 -10.643 635 HG21 VAL 96 HG21 VAL 96 -7.580 -28.159 -13.295 636 HG22 VAL 96 HG22 VAL 96 -9.058 -27.628 -12.911 637 HG23 VAL 96 HG23 VAL 96 -8.327 -28.728 -11.979 638 H ASP 97 H ASP 97 -7.833 -24.103 -11.356 639 HA ASP 97 HA ASP 97 -6.746 -23.329 -8.816 640 HB2 ASP 97 HB2 ASP 97 -5.728 -22.840 -11.472 641 HB3 ASP 97 HB3 ASP 97 -5.301 -21.810 -10.279 642 H SER 98 H SER 98 -6.812 -21.104 -8.152 643 HA SER 98 HA SER 98 -9.099 -19.729 -9.035 644 HB2 SER 98 HB2 SER 98 -7.476 -18.109 -7.463 645 HB3 SER 98 HB3 SER 98 -8.873 -18.816 -7.001 646 HG SER 98 HG SER 98 -7.112 -19.436 -5.730 647 H ILE 99 H ILE 99 -9.122 -17.456 -9.812 648 HA ILE 99 HA ILE 99 -6.921 -17.049 -11.599 649 HB ILE 99 HB ILE 99 -8.374 -15.605 -12.859 650 HG12 ILE 99 HG12 ILE 99 -10.826 -15.990 -11.890 651 HG13 ILE 99 HG13 ILE 99 -9.936 -15.725 -10.547 652 HG21 ILE 99 HG21 ILE 99 -9.963 -17.262 -13.615 653 HG22 ILE 99 HG22 ILE 99 -9.661 -18.151 -12.298 654 HG23 ILE 99 HG23 ILE 99 -8.510 -17.941 -13.414 655 HD11 ILE 99 HD11 ILE 99 -10.862 -13.690 -11.328 656 HD12 ILE 99 HD12 ILE 99 -10.131 -13.889 -12.756 657 HD13 ILE 99 HD13 ILE 99 -9.250 -13.626 -11.426 658 H GLY 100 H GLY 100 -5.869 -14.973 -11.842 659 HA2 GLY 100 HA2 GLY 100 -6.568 -12.945 -9.961 660 HA3 GLY 100 HA3 GLY 100 -5.099 -13.619 -9.728 661 H CYS 101 H CYS 101 -4.828 -11.048 -10.158 662 HA CYS 101 HA CYS 101 -3.963 -10.946 -12.875 663 HB2 CYS 101 HB2 CYS 101 -4.855 -8.847 -13.250 664 HB3 CYS 101 HB3 CYS 101 -6.045 -9.874 -12.806 665 H VAL 102 H VAL 102 -2.344 -9.370 -13.420 666 HA VAL 102 HA VAL 102 -1.017 -8.245 -11.131 667 HB VAL 102 HB VAL 102 1.132 -8.638 -12.222 668 HG11 VAL 102 HG11 VAL 102 1.267 -10.966 -11.648 669 HG12 VAL 102 HG12 VAL 102 -0.347 -11.055 -11.613 670 HG13 VAL 102 HG13 VAL 102 0.437 -10.165 -10.514 671 HG21 VAL 102 HG21 VAL 102 1.241 -10.195 -14.038 672 HG22 VAL 102 HG22 VAL 102 0.380 -8.897 -14.473 673 HG23 VAL 102 HG23 VAL 102 -0.374 -10.271 -14.077 674 H ALA 103 H ALA 103 0.072 -6.192 -11.522 675 HA ALA 103 HA ALA 103 -0.733 -4.933 -13.995 676 HB1 ALA 103 HB1 ALA 103 -2.219 -4.172 -12.279 677 HB2 ALA 103 HB2 ALA 103 -1.291 -2.936 -12.755 678 HB3 ALA 103 HB3 ALA 103 -0.962 -3.709 -11.373 679 HA PRO 104 HA PRO 104 3.415 -3.569 -14.025 680 HB2 PRO 104 HB2 PRO 104 3.347 -1.381 -15.541 681 HB3 PRO 104 HB3 PRO 104 3.068 -2.828 -16.246 682 HG2 PRO 104 HG2 PRO 104 1.140 -0.936 -15.326 683 HG3 PRO 104 HG3 PRO 104 1.175 -1.706 -16.766 684 HD2 PRO 104 HD2 PRO 104 -0.341 -2.591 -14.849 685 HD3 PRO 104 HD3 PRO 104 0.367 -3.639 -15.882 Start of MODEL 16 1 H1 HIS 1 H1 HIS 1 -12.430 -6.954 -3.882 2 H2 HIS 1 H2 HIS 1 -12.411 -7.331 -2.309 3 H3 HIS 1 H3 HIS 1 -12.090 -8.465 -3.417 4 HA HIS 1 HA HIS 1 -10.120 -7.362 -4.017 5 HB2 HIS 1 HB2 HIS 1 -10.736 -5.125 -3.546 6 HB3 HIS 1 HB3 HIS 1 -10.835 -5.459 -1.951 7 HD1 HIS 1 HD1 HIS 1 -8.714 -5.361 -0.501 8 HD2 HIS 1 HD2 HIS 1 -8.099 -4.810 -4.511 9 HE1 HIS 1 HE1 HIS 1 -6.367 -4.625 -0.835 10 HE2 HIS 1 HE2 HIS 1 -5.961 -4.293 -3.255 11 H THR 2 H THR 2 -8.990 -9.185 -3.464 12 HA THR 2 HA THR 2 -9.121 -9.905 -0.729 13 HB THR 2 HB THR 2 -9.561 -11.627 -2.463 14 HG1 THR 2 HG1 THR 2 -8.275 -11.962 -0.269 15 HG21 THR 2 HG21 THR 2 -7.691 -12.570 -3.643 16 HG22 THR 2 HG22 THR 2 -6.694 -11.504 -2.948 17 HG23 THR 2 HG23 THR 2 -7.799 -11.000 -4.015 18 H GLY 3 H GLY 3 -6.963 -8.271 -2.574 19 HA2 GLY 3 HA2 GLY 3 -5.091 -8.007 -0.604 20 HA3 GLY 3 HA3 GLY 3 -4.554 -9.223 -1.553 21 H SER 4 H SER 4 -4.305 -8.827 -3.895 22 HA SER 4 HA SER 4 -3.521 -6.113 -4.379 23 HB2 SER 4 HB2 SER 4 -1.936 -7.670 -5.176 24 HB3 SER 4 HB3 SER 4 -3.084 -8.488 -6.000 25 HG SER 4 HG SER 4 -2.516 -7.350 -7.603 26 H CYS 5 H CYS 5 -5.102 -8.526 -6.335 27 HA CYS 5 HA CYS 5 -7.296 -6.768 -6.878 28 HB2 CYS 5 HB2 CYS 5 -7.168 -7.094 -9.175 29 HB3 CYS 5 HB3 CYS 5 -5.826 -6.349 -8.617 30 H MET 6 H MET 6 -8.988 -8.023 -8.288 31 HA MET 6 HA MET 6 -8.806 -10.864 -8.092 32 HB2 MET 6 HB2 MET 6 -9.836 -10.180 -6.003 33 HB3 MET 6 HB3 MET 6 -11.083 -9.590 -6.877 34 HG2 MET 6 HG2 MET 6 -12.018 -11.464 -6.903 35 HG3 MET 6 HG3 MET 6 -10.708 -12.130 -7.615 36 HE1 MET 6 HE1 MET 6 -11.444 -14.684 -4.763 37 HE2 MET 6 HE2 MET 6 -11.225 -14.538 -6.358 38 HE3 MET 6 HE3 MET 6 -12.533 -13.894 -5.659 39 H ALA 7 H ALA 7 -10.144 -11.902 -9.704 40 HA ALA 7 HA ALA 7 -11.483 -10.032 -11.436 41 HB1 ALA 7 HB1 ALA 7 -9.870 -11.404 -12.551 42 HB2 ALA 7 HB2 ALA 7 -11.342 -11.743 -13.129 43 HB3 ALA 7 HB3 ALA 7 -10.644 -12.737 -12.062 44 H VAL 8 H VAL 8 -13.658 -9.979 -11.647 45 HA VAL 8 HA VAL 8 -15.211 -11.969 -10.297 46 HB VAL 8 HB VAL 8 -16.128 -9.562 -11.643 47 HG11 VAL 8 HG11 VAL 8 -18.234 -9.938 -10.548 48 HG12 VAL 8 HG12 VAL 8 -17.667 -11.315 -9.918 49 HG13 VAL 8 HG13 VAL 8 -17.887 -11.187 -11.514 50 HG21 VAL 8 HG21 VAL 8 -16.386 -8.617 -9.457 51 HG22 VAL 8 HG22 VAL 8 -14.837 -9.003 -9.714 52 HG23 VAL 8 HG23 VAL 8 -15.768 -9.958 -8.799 53 H TYR 9 H TYR 9 -16.188 -13.681 -11.456 54 HA TYR 9 HA TYR 9 -16.082 -13.424 -14.315 55 HB2 TYR 9 HB2 TYR 9 -14.280 -14.826 -13.708 56 HB3 TYR 9 HB3 TYR 9 -15.257 -15.735 -12.766 57 HD1 TYR 9 HD1 TYR 9 -16.087 -17.756 -13.621 58 HD2 TYR 9 HD2 TYR 9 -14.878 -14.813 -16.261 59 HE1 TYR 9 HE1 TYR 9 -16.476 -19.239 -15.459 60 HE2 TYR 9 HE2 TYR 9 -15.287 -16.289 -18.093 61 HH TYR 9 HH TYR 9 -16.210 -19.625 -17.658 62 H SER 10 H SER 10 -17.846 -13.913 -15.471 63 HA SER 10 HA SER 10 -19.835 -15.559 -14.182 64 HB2 SER 10 HB2 SER 10 -21.395 -14.095 -15.663 65 HB3 SER 10 HB3 SER 10 -20.965 -13.570 -14.178 66 HG SER 10 HG SER 10 -19.088 -12.861 -15.800 67 H VAL 11 H VAL 11 -20.989 -17.060 -15.471 68 HA VAL 11 HA VAL 11 -19.750 -17.573 -17.999 69 HB VAL 11 HB VAL 11 -21.644 -19.234 -16.538 70 HG11 VAL 11 HG11 VAL 11 -21.130 -20.987 -18.086 71 HG12 VAL 11 HG12 VAL 11 -20.184 -19.978 -18.924 72 HG13 VAL 11 HG13 VAL 11 -21.781 -19.731 -18.870 73 HG21 VAL 11 HG21 VAL 11 -19.752 -20.626 -16.018 74 HG22 VAL 11 HG22 VAL 11 -19.516 -19.136 -15.435 75 HG23 VAL 11 HG23 VAL 11 -18.777 -19.598 -16.797 76 H GLU 12 H GLU 12 -20.699 -17.095 -19.949 77 HA GLU 12 HA GLU 12 -23.158 -15.752 -19.955 78 HB2 GLU 12 HB2 GLU 12 -21.486 -15.216 -21.550 79 HB3 GLU 12 HB3 GLU 12 -21.568 -16.725 -22.168 80 HG2 GLU 12 HG2 GLU 12 -22.676 -15.417 -23.662 81 HG3 GLU 12 HG3 GLU 12 -23.852 -16.191 -22.834 82 H ASN 13 H ASN 13 -22.109 -18.746 -21.397 83 HA ASN 13 HA ASN 13 -24.461 -20.118 -20.756 84 HB2 ASN 13 HB2 ASN 13 -24.885 -18.680 -22.882 85 HB3 ASN 13 HB3 ASN 13 -24.280 -20.023 -23.587 86 HD21 ASN 13 HD21 ASN 13 -27.940 -20.063 -21.890 87 HD22 ASN 13 HD22 ASN 13 -26.832 -18.754 -21.648 88 H SER 14 H SER 14 -24.440 -22.393 -21.787 89 HA SER 14 HA SER 14 -21.841 -23.115 -22.748 90 HB2 SER 14 HB2 SER 14 -21.745 -25.044 -21.267 91 HB3 SER 14 HB3 SER 14 -21.712 -23.647 -20.422 92 HG SER 14 HG SER 14 -24.149 -24.719 -20.885 93 H TRP 15 H TRP 15 -21.789 -25.067 -24.023 94 HA TRP 15 HA TRP 15 -24.300 -26.210 -24.745 95 HB2 TRP 15 HB2 TRP 15 -24.020 -25.604 -27.092 96 HB3 TRP 15 HB3 TRP 15 -24.380 -24.329 -26.137 97 HD1 TRP 15 HD1 TRP 15 -21.561 -25.674 -28.144 98 HE1 TRP 15 HE1 TRP 15 -19.754 -23.974 -28.538 99 HE3 TRP 15 HE3 TRP 15 -23.369 -22.121 -25.143 100 HZ2 TRP 15 HZ2 TRP 15 -19.257 -21.386 -27.573 101 HZ3 TRP 15 HZ3 TRP 15 -22.165 -20.054 -24.932 102 HH2 TRP 15 HH2 TRP 15 -20.146 -19.688 -26.165 103 H SER 16 H SER 16 -23.904 -27.902 -26.615 104 HA SER 16 HA SER 16 -21.762 -29.485 -25.893 105 HB2 SER 16 HB2 SER 16 -22.252 -30.600 -28.125 106 HB3 SER 16 HB3 SER 16 -23.416 -30.656 -26.980 107 HG SER 16 HG SER 16 -23.348 -29.268 -29.292 108 H GLY 17 H GLY 17 -19.642 -29.180 -26.180 109 HA2 GLY 17 HA2 GLY 17 -17.911 -28.997 -27.780 110 HA3 GLY 17 HA3 GLY 17 -18.817 -27.956 -28.654 111 H GLY 18 H GLY 18 -19.455 -26.592 -25.935 112 HA2 GLY 18 HA2 GLY 18 -17.176 -25.630 -24.867 113 HA3 GLY 18 HA3 GLY 18 -17.414 -24.692 -26.183 114 H PHE 19 H PHE 19 -17.266 -23.099 -24.319 115 HA PHE 19 HA PHE 19 -19.923 -22.311 -23.693 116 HB2 PHE 19 HB2 PHE 19 -19.542 -22.110 -21.351 117 HB3 PHE 19 HB3 PHE 19 -19.365 -23.667 -21.811 118 HD1 PHE 19 HD1 PHE 19 -17.174 -24.736 -21.788 119 HD2 PHE 19 HD2 PHE 19 -17.663 -20.826 -20.530 120 HE1 PHE 19 HE1 PHE 19 -15.034 -24.808 -20.722 121 HE2 PHE 19 HE2 PHE 19 -15.523 -20.899 -19.470 122 HZ PHE 19 HZ PHE 19 -14.212 -22.891 -19.557 123 H GLN 20 H GLN 20 -19.942 -20.091 -22.570 124 HA GLN 20 HA GLN 20 -17.605 -18.621 -23.353 125 HB2 GLN 20 HB2 GLN 20 -20.219 -18.198 -24.226 126 HB3 GLN 20 HB3 GLN 20 -19.624 -16.838 -23.544 127 HG2 GLN 20 HG2 GLN 20 -17.878 -16.773 -25.060 128 HG3 GLN 20 HG3 GLN 20 -18.294 -18.233 -25.663 129 HE21 GLN 20 HE21 GLN 20 -19.480 -15.953 -28.186 130 HE22 GLN 20 HE22 GLN 20 -17.985 -16.619 -27.616 131 H GLY 21 H GLY 21 -17.053 -16.698 -22.176 132 HA2 GLY 21 HA2 GLY 21 -18.465 -16.389 -19.698 133 HA3 GLY 21 HA3 GLY 21 -16.879 -16.772 -19.618 134 H SER 22 H SER 22 -18.129 -14.463 -18.521 135 HA SER 22 HA SER 22 -16.694 -12.411 -19.976 136 HB2 SER 22 HB2 SER 22 -18.410 -10.845 -19.154 137 HB3 SER 22 HB3 SER 22 -18.987 -11.918 -20.241 138 HG SER 22 HG SER 22 -20.406 -12.327 -18.818 139 H VAL 23 H VAL 23 -15.516 -10.879 -18.715 140 HA VAL 23 HA VAL 23 -15.302 -11.626 -15.982 141 HB VAL 23 HB VAL 23 -12.770 -11.032 -17.185 142 HG11 VAL 23 HG11 VAL 23 -11.980 -12.784 -15.743 143 HG12 VAL 23 HG12 VAL 23 -13.504 -13.133 -15.330 144 HG13 VAL 23 HG13 VAL 23 -12.854 -11.718 -14.897 145 HG21 VAL 23 HG21 VAL 23 -12.449 -13.187 -18.173 146 HG22 VAL 23 HG22 VAL 23 -13.651 -12.404 -18.920 147 HG23 VAL 23 HG23 VAL 23 -13.987 -13.570 -17.851 148 H GLU 24 H GLU 24 -14.910 -9.938 -14.514 149 HA GLU 24 HA GLU 24 -14.020 -7.452 -15.683 150 HB2 GLU 24 HB2 GLU 24 -16.276 -7.259 -14.894 151 HB3 GLU 24 HB3 GLU 24 -15.759 -7.630 -13.390 152 HG2 GLU 24 HG2 GLU 24 -14.485 -5.643 -13.327 153 HG3 GLU 24 HG3 GLU 24 -14.972 -5.275 -14.841 154 H VAL 25 H VAL 25 -12.177 -6.501 -14.775 155 HA VAL 25 HA VAL 25 -11.201 -7.862 -12.440 156 HB VAL 25 HB VAL 25 -9.750 -8.486 -14.152 157 HG11 VAL 25 HG11 VAL 25 -8.702 -6.940 -15.641 158 HG12 VAL 25 HG12 VAL 25 -9.507 -5.721 -14.948 159 HG13 VAL 25 HG13 VAL 25 -10.311 -6.851 -15.778 160 HG21 VAL 25 HG21 VAL 25 -7.639 -7.591 -13.484 161 HG22 VAL 25 HG22 VAL 25 -8.537 -7.946 -12.187 162 HG23 VAL 25 HG23 VAL 25 -8.392 -6.411 -12.675 163 H MET 26 H MET 26 -10.635 -6.700 -10.647 164 HA MET 26 HA MET 26 -11.065 -3.891 -10.867 165 HB2 MET 26 HB2 MET 26 -11.218 -3.885 -8.500 166 HB3 MET 26 HB3 MET 26 -12.137 -5.105 -9.079 167 HG2 MET 26 HG2 MET 26 -10.347 -6.584 -8.630 168 HG3 MET 26 HG3 MET 26 -9.551 -5.344 -7.925 169 HE1 MET 26 HE1 MET 26 -13.311 -7.315 -6.332 170 HE2 MET 26 HE2 MET 26 -12.433 -7.877 -7.568 171 HE3 MET 26 HE3 MET 26 -13.276 -6.507 -7.732 172 H ASN 27 H ASN 27 -9.619 -2.254 -10.357 173 HA ASN 27 HA ASN 27 -6.884 -3.092 -9.889 174 HB2 ASN 27 HB2 ASN 27 -7.249 -1.803 -11.906 175 HB3 ASN 27 HB3 ASN 27 -7.691 -0.544 -10.965 176 HD21 ASN 27 HD21 ASN 27 -4.299 0.288 -11.735 177 HD22 ASN 27 HD22 ASN 27 -5.887 0.372 -12.422 178 H HIS 28 H HIS 28 -5.769 -2.226 -8.084 179 HA HIS 28 HA HIS 28 -7.425 -0.639 -6.349 180 HB2 HIS 28 HB2 HIS 28 -6.773 -2.757 -5.409 181 HB3 HIS 28 HB3 HIS 28 -5.207 -2.307 -5.525 182 HD1 HIS 28 HD1 HIS 28 -8.164 -0.510 -4.067 183 HD2 HIS 28 HD2 HIS 28 -4.401 -1.717 -3.003 184 HE1 HIS 28 HE1 HIS 28 -7.677 0.378 -1.802 185 HE2 HIS 28 HE2 HIS 28 -5.416 -0.364 -1.112 186 H GLY 29 H GLY 29 -4.697 -0.587 -8.235 187 HA2 GLY 29 HA2 GLY 29 -3.263 1.431 -6.924 188 HA3 GLY 29 HA3 GLY 29 -3.128 1.039 -8.504 189 H THR 30 H THR 30 -3.010 3.703 -7.718 190 HA THR 30 HA THR 30 -5.567 4.706 -8.597 191 HB THR 30 HB THR 30 -4.982 5.498 -6.383 192 HG1 THR 30 HG1 THR 30 -4.804 7.839 -7.575 193 HG21 THR 30 HG21 THR 30 -3.146 6.999 -6.110 194 HG22 THR 30 HG22 THR 30 -2.745 6.819 -7.666 195 HG23 THR 30 HG23 THR 30 -2.586 5.579 -6.642 196 H GLU 31 H GLU 31 -2.857 3.849 -9.801 197 HA GLU 31 HA GLU 31 -2.379 6.197 -11.413 198 HB2 GLU 31 HB2 GLU 31 -0.529 4.025 -10.910 199 HB3 GLU 31 HB3 GLU 31 -0.156 5.413 -11.685 200 HG2 GLU 31 HG2 GLU 31 -0.497 6.608 -9.655 201 HG3 GLU 31 HG3 GLU 31 -0.792 5.195 -8.893 202 HA PRO 32 HA PRO 32 -3.726 3.762 -14.785 203 HB2 PRO 32 HB2 PRO 32 -2.854 5.178 -16.862 204 HB3 PRO 32 HB3 PRO 32 -4.103 5.746 -15.977 205 HG2 PRO 32 HG2 PRO 32 -1.347 6.457 -15.768 206 HG3 PRO 32 HG3 PRO 32 -2.639 7.456 -15.797 207 HD2 PRO 32 HD2 PRO 32 -1.522 6.821 -13.540 208 HD3 PRO 32 HD3 PRO 32 -3.135 7.065 -13.619 209 H LEU 33 H LEU 33 -3.067 1.828 -15.294 210 HA LEU 33 HA LEU 33 -0.215 1.565 -15.486 211 HB2 LEU 33 HB2 LEU 33 -1.168 0.524 -13.545 212 HB3 LEU 33 HB3 LEU 33 -2.129 -0.384 -14.504 213 HG LEU 33 HG LEU 33 -0.263 -1.610 -15.251 214 HD11 LEU 33 HD11 LEU 33 1.910 -1.283 -14.350 215 HD12 LEU 33 HD12 LEU 33 1.389 0.013 -13.536 216 HD13 LEU 33 HD13 LEU 33 1.434 0.038 -15.152 217 HD21 LEU 33 HD21 LEU 33 0.224 -2.709 -13.145 218 HD22 LEU 33 HD22 LEU 33 -1.354 -2.364 -13.229 219 HD23 LEU 33 HD23 LEU 33 -0.368 -1.434 -12.345 220 H ASN 34 H ASN 34 0.537 1.308 -17.482 221 HA ASN 34 HA ASN 34 -0.988 -0.088 -19.402 222 HB2 ASN 34 HB2 ASN 34 0.766 1.763 -19.725 223 HB3 ASN 34 HB3 ASN 34 1.758 0.480 -19.920 224 HD21 ASN 34 HD21 ASN 34 0.127 1.762 -23.114 225 HD22 ASN 34 HD22 ASN 34 0.757 2.630 -21.753 226 H GLY 35 H GLY 35 -0.675 -2.182 -20.242 227 HA2 GLY 35 HA2 GLY 35 0.424 -4.199 -20.331 228 HA3 GLY 35 HA3 GLY 35 1.517 -3.695 -19.227 229 H TRP 36 H TRP 36 -1.360 -2.906 -17.978 230 HA TRP 36 HA TRP 36 -1.403 -4.816 -16.002 231 HB2 TRP 36 HB2 TRP 36 -2.564 -2.791 -15.708 232 HB3 TRP 36 HB3 TRP 36 -3.562 -3.144 -16.951 233 HD1 TRP 36 HD1 TRP 36 -5.843 -4.069 -16.240 234 HE1 TRP 36 HE1 TRP 36 -6.898 -5.137 -14.229 235 HE3 TRP 36 HE3 TRP 36 -1.687 -4.537 -13.515 236 HZ2 TRP 36 HZ2 TRP 36 -5.933 -6.016 -11.739 237 HZ3 TRP 36 HZ3 TRP 36 -1.839 -5.489 -11.314 238 HH2 TRP 36 HH2 TRP 36 -3.950 -6.208 -10.440 239 H ALA 37 H ALA 37 -2.328 -6.865 -15.790 240 HA ALA 37 HA ALA 37 -3.573 -7.857 -18.153 241 HB1 ALA 37 HB1 ALA 37 -1.194 -8.129 -18.534 242 HB2 ALA 37 HB2 ALA 37 -1.889 -9.586 -18.434 243 HB3 ALA 37 HB3 ALA 37 -1.073 -8.991 -17.171 244 H VAL 38 H VAL 38 -4.489 -9.978 -18.080 245 HA VAL 38 HA VAL 38 -4.858 -10.948 -15.393 246 HB VAL 38 HB VAL 38 -6.919 -11.074 -17.426 247 HG11 VAL 38 HG11 VAL 38 -8.358 -11.774 -15.643 248 HG12 VAL 38 HG12 VAL 38 -7.115 -11.717 -14.611 249 HG13 VAL 38 HG13 VAL 38 -7.128 -12.812 -15.800 250 HG21 VAL 38 HG21 VAL 38 -8.059 -9.348 -16.210 251 HG22 VAL 38 HG22 VAL 38 -6.633 -8.798 -16.738 252 HG23 VAL 38 HG23 VAL 38 -6.809 -9.233 -15.190 253 H GLN 39 H GLN 39 -4.253 -13.066 -15.079 254 HA GLN 39 HA GLN 39 -3.521 -14.514 -17.423 255 HB2 GLN 39 HB2 GLN 39 -2.989 -15.111 -14.647 256 HB3 GLN 39 HB3 GLN 39 -2.466 -16.058 -15.870 257 HG2 GLN 39 HG2 GLN 39 -1.243 -14.103 -16.677 258 HG3 GLN 39 HG3 GLN 39 -1.572 -13.418 -15.231 259 HE21 GLN 39 HE21 GLN 39 0.505 -15.685 -13.360 260 HE22 GLN 39 HE22 GLN 39 -1.061 -14.950 -13.272 261 H TRP 40 H TRP 40 -4.079 -16.858 -17.661 262 HA TRP 40 HA TRP 40 -6.727 -17.338 -16.624 263 HB2 TRP 40 HB2 TRP 40 -7.186 -18.587 -18.452 264 HB3 TRP 40 HB3 TRP 40 -6.163 -17.482 -19.083 265 HD1 TRP 40 HD1 TRP 40 -3.408 -18.668 -18.536 266 HE1 TRP 40 HE1 TRP 40 -2.555 -20.837 -19.475 267 HE3 TRP 40 HE3 TRP 40 -7.846 -20.678 -19.638 268 HZ2 TRP 40 HZ2 TRP 40 -3.773 -23.076 -20.647 269 HZ3 TRP 40 HZ3 TRP 40 -7.916 -22.841 -20.669 270 HH2 TRP 40 HH2 TRP 40 -5.893 -24.018 -21.182 271 H GLN 41 H GLN 41 -7.268 -19.627 -16.002 272 HA GLN 41 HA GLN 41 -4.944 -21.036 -15.031 273 HB2 GLN 41 HB2 GLN 41 -6.061 -19.905 -13.197 274 HB3 GLN 41 HB3 GLN 41 -7.388 -20.805 -13.504 275 HG2 GLN 41 HG2 GLN 41 -5.964 -22.762 -13.061 276 HG3 GLN 41 HG3 GLN 41 -4.898 -21.704 -12.420 277 HE21 GLN 41 HE21 GLN 41 -6.590 -21.169 -9.422 278 HE22 GLN 41 HE22 GLN 41 -5.295 -20.647 -10.448 279 HA PRO 42 HA PRO 42 -7.302 -23.986 -17.323 280 HB2 PRO 42 HB2 PRO 42 -5.521 -25.975 -17.460 281 HB3 PRO 42 HB3 PRO 42 -5.374 -24.695 -18.463 282 HG2 PRO 42 HG2 PRO 42 -4.006 -25.158 -16.007 283 HG3 PRO 42 HG3 PRO 42 -3.379 -24.639 -17.423 284 HD2 PRO 42 HD2 PRO 42 -3.920 -22.941 -15.531 285 HD3 PRO 42 HD3 PRO 42 -4.104 -22.510 -17.095 286 H GLY 43 H GLY 43 -8.690 -25.587 -16.846 287 HA2 GLY 43 HA2 GLY 43 -8.483 -26.538 -14.127 288 HA3 GLY 43 HA3 GLY 43 -9.866 -26.463 -14.992 289 H GLY 44 H GLY 44 -10.349 -28.694 -14.500 290 HA2 GLY 44 HA2 GLY 44 -8.530 -30.677 -15.296 291 HA3 GLY 44 HA3 GLY 44 -10.074 -30.916 -14.820 292 H GLY 45 H GLY 45 -8.088 -30.019 -17.526 293 HA2 GLY 45 HA2 GLY 45 -8.378 -30.937 -19.636 294 HA3 GLY 45 HA3 GLY 45 -9.914 -31.363 -19.280 295 H THR 46 H THR 46 -9.447 -28.302 -18.261 296 HA THR 46 HA THR 46 -11.041 -27.274 -20.317 297 HB THR 46 HB THR 46 -9.858 -25.412 -18.446 298 HG1 THR 46 HG1 THR 46 -10.854 -26.187 -16.681 299 HG21 THR 46 HG21 THR 46 -12.103 -24.622 -18.233 300 HG22 THR 46 HG22 THR 46 -12.646 -25.867 -19.110 301 HG23 THR 46 HG23 THR 46 -11.740 -24.722 -19.806 302 H THR 47 H THR 47 -10.551 -25.909 -22.021 303 HA THR 47 HA THR 47 -7.994 -24.641 -22.009 304 HB THR 47 HB THR 47 -7.608 -26.652 -23.314 305 HG1 THR 47 HG1 THR 47 -6.304 -25.644 -24.548 306 HG21 THR 47 HG21 THR 47 -8.686 -26.886 -25.439 307 HG22 THR 47 HG22 THR 47 -9.556 -25.551 -25.165 308 HG23 THR 47 HG23 THR 47 -9.818 -26.880 -24.283 309 H LEU 48 H LEU 48 -7.861 -22.815 -23.632 310 HA LEU 48 HA LEU 48 -10.513 -21.751 -23.922 311 HB2 LEU 48 HB2 LEU 48 -9.691 -19.632 -23.704 312 HB3 LEU 48 HB3 LEU 48 -8.995 -20.526 -22.528 313 HG LEU 48 HG LEU 48 -7.415 -19.139 -23.114 314 HD11 LEU 48 HD11 LEU 48 -5.660 -20.358 -24.194 315 HD12 LEU 48 HD12 LEU 48 -6.734 -21.474 -24.658 316 HD13 LEU 48 HD13 LEU 48 -6.415 -21.264 -23.087 317 HD21 LEU 48 HD21 LEU 48 -6.813 -18.565 -25.396 318 HD22 LEU 48 HD22 LEU 48 -8.357 -18.191 -25.093 319 HD23 LEU 48 HD23 LEU 48 -7.998 -19.525 -25.933 320 H GLY 49 H GLY 49 -11.074 -20.359 -25.759 321 HA2 GLY 49 HA2 GLY 49 -9.735 -21.346 -28.125 322 HA3 GLY 49 HA3 GLY 49 -11.323 -20.969 -28.063 323 H GLY 50 H GLY 50 -11.896 -18.655 -27.571 324 HA2 GLY 50 HA2 GLY 50 -9.920 -16.912 -28.769 325 HA3 GLY 50 HA3 GLY 50 -11.496 -16.834 -29.190 326 H VAL 51 H VAL 51 -10.054 -14.625 -28.256 327 HA VAL 51 HA VAL 51 -11.452 -14.107 -25.790 328 HB VAL 51 HB VAL 51 -8.724 -13.255 -26.323 329 HG11 VAL 51 HG11 VAL 51 -8.712 -12.267 -24.145 330 HG12 VAL 51 HG12 VAL 51 -10.271 -12.653 -23.956 331 HG13 VAL 51 HG13 VAL 51 -9.837 -11.565 -25.071 332 HG21 VAL 51 HG21 VAL 51 -8.103 -14.673 -24.468 333 HG22 VAL 51 HG22 VAL 51 -8.808 -15.557 -25.624 334 HG23 VAL 51 HG23 VAL 51 -9.643 -15.136 -24.305 335 H TRP 52 H TRP 52 -12.459 -12.049 -25.668 336 HA TRP 52 HA TRP 52 -11.874 -10.279 -27.868 337 HB2 TRP 52 HB2 TRP 52 -14.144 -9.673 -28.069 338 HB3 TRP 52 HB3 TRP 52 -14.001 -11.290 -28.252 339 HD1 TRP 52 HD1 TRP 52 -15.296 -8.823 -25.779 340 HE1 TRP 52 HE1 TRP 52 -16.971 -9.847 -24.205 341 HE3 TRP 52 HE3 TRP 52 -14.773 -13.545 -27.298 342 HZ2 TRP 52 HZ2 TRP 52 -17.888 -12.463 -23.764 343 HZ3 TRP 52 HZ3 TRP 52 -16.104 -15.253 -26.262 344 HH2 TRP 52 HH2 TRP 52 -17.653 -14.704 -24.519 345 H ASN 53 H ASN 53 -12.439 -7.962 -27.462 346 HA ASN 53 HA ASN 53 -11.972 -6.192 -26.230 347 HB2 ASN 53 HB2 ASN 53 -13.331 -7.605 -24.107 348 HB3 ASN 53 HB3 ASN 53 -12.918 -6.029 -23.982 349 HD21 ASN 53 HD21 ASN 53 -16.456 -6.204 -24.938 350 HD22 ASN 53 HD22 ASN 53 -15.514 -6.791 -23.608 351 H GLY 54 H GLY 54 -9.779 -7.690 -26.584 352 HA2 GLY 54 HA2 GLY 54 -8.104 -6.710 -24.634 353 HA3 GLY 54 HA3 GLY 54 -8.386 -8.279 -24.275 354 H SER 55 H SER 55 -5.829 -7.250 -24.887 355 HA SER 55 HA SER 55 -5.292 -8.403 -27.478 356 HB2 SER 55 HB2 SER 55 -4.281 -6.271 -27.106 357 HB3 SER 55 HB3 SER 55 -3.499 -6.861 -25.799 358 HG SER 55 HG SER 55 -2.013 -7.602 -26.992 359 H LEU 56 H LEU 56 -4.304 -10.401 -27.686 360 HA LEU 56 HA LEU 56 -3.945 -11.759 -25.226 361 HB2 LEU 56 HB2 LEU 56 -4.610 -12.539 -27.821 362 HB3 LEU 56 HB3 LEU 56 -3.473 -13.537 -27.204 363 HG LEU 56 HG LEU 56 -6.043 -13.099 -25.966 364 HD11 LEU 56 HD11 LEU 56 -6.604 -15.281 -26.786 365 HD12 LEU 56 HD12 LEU 56 -5.177 -15.370 -27.542 366 HD13 LEU 56 HD13 LEU 56 -6.284 -14.296 -28.028 367 HD21 LEU 56 HD21 LEU 56 -5.445 -14.929 -24.551 368 HD22 LEU 56 HD22 LEU 56 -4.370 -13.733 -24.382 369 HD23 LEU 56 HD23 LEU 56 -4.003 -15.030 -25.275 370 H THR 57 H THR 57 -2.103 -12.698 -24.422 371 HA THR 57 HA THR 57 0.197 -12.774 -26.165 372 HB THR 57 HB THR 57 1.621 -12.407 -24.190 373 HG1 THR 57 HG1 THR 57 -0.843 -11.978 -23.064 374 HG21 THR 57 HG21 THR 57 1.326 -10.024 -24.183 375 HG22 THR 57 HG22 THR 57 -0.137 -10.188 -24.852 376 HG23 THR 57 HG23 THR 57 1.187 -10.556 -25.704 377 H SER 58 H SER 58 1.687 -14.637 -25.608 378 HA SER 58 HA SER 58 0.437 -16.606 -23.947 379 HB2 SER 58 HB2 SER 58 -0.314 -17.143 -26.176 380 HB3 SER 58 HB3 SER 58 1.238 -17.219 -26.681 381 HG SER 58 HG SER 58 0.699 -18.823 -24.612 382 H GLY 59 H GLY 59 1.811 -18.230 -23.047 383 HA2 GLY 59 HA2 GLY 59 4.600 -17.512 -23.246 384 HA3 GLY 59 HA3 GLY 59 3.915 -18.249 -21.960 385 H SER 60 H SER 60 6.165 -19.396 -22.740 386 HA SER 60 HA SER 60 5.862 -21.198 -24.805 387 HB2 SER 60 HB2 SER 60 7.748 -21.417 -22.583 388 HB3 SER 60 HB3 SER 60 7.951 -22.128 -24.039 389 HG SER 60 HG SER 60 9.165 -20.376 -24.149 390 H ASP 61 H ASP 61 4.777 -21.290 -21.646 391 HA ASP 61 HA ASP 61 4.613 -24.083 -21.418 392 HB2 ASP 61 HB2 ASP 61 3.340 -22.037 -19.793 393 HB3 ASP 61 HB3 ASP 61 3.442 -23.606 -19.354 394 H GLY 62 H GLY 62 3.024 -22.222 -23.399 395 HA2 GLY 62 HA2 GLY 62 1.105 -22.637 -24.549 396 HA3 GLY 62 HA3 GLY 62 0.782 -23.925 -23.598 397 H THR 63 H THR 63 1.451 -21.217 -21.818 398 HA THR 63 HA THR 63 -1.248 -21.018 -20.986 399 HB THR 63 HB THR 63 -0.277 -19.372 -19.340 400 HG1 THR 63 HG1 THR 63 2.172 -20.311 -20.121 401 HG21 THR 63 HG21 THR 63 0.782 -21.074 -18.033 402 HG22 THR 63 HG22 THR 63 0.904 -22.025 -19.336 403 HG23 THR 63 HG23 THR 63 -0.549 -21.698 -18.707 404 H VAL 64 H VAL 64 -2.408 -18.909 -20.808 405 HA VAL 64 HA VAL 64 -1.445 -17.048 -22.747 406 HB VAL 64 HB VAL 64 -3.765 -16.571 -23.409 407 HG11 VAL 64 HG11 VAL 64 -4.035 -18.529 -24.778 408 HG12 VAL 64 HG12 VAL 64 -2.938 -19.310 -23.884 409 HG13 VAL 64 HG13 VAL 64 -2.491 -18.051 -24.795 410 HG21 VAL 64 HG21 VAL 64 -5.479 -18.107 -22.767 411 HG22 VAL 64 HG22 VAL 64 -4.879 -17.364 -21.463 412 HG23 VAL 64 HG23 VAL 64 -4.434 -18.880 -21.806 413 H THR 65 H THR 65 -2.069 -14.800 -22.518 414 HA THR 65 HA THR 65 -3.121 -14.088 -19.951 415 HB THR 65 HB THR 65 -0.537 -13.087 -20.857 416 HG1 THR 65 HG1 THR 65 -0.401 -14.135 -18.492 417 HG21 THR 65 HG21 THR 65 -0.469 -11.863 -18.808 418 HG22 THR 65 HG22 THR 65 -1.938 -12.408 -18.411 419 HG23 THR 65 HG23 THR 65 -1.763 -11.386 -19.652 420 H VAL 66 H VAL 66 -4.453 -12.293 -20.023 421 HA VAL 66 HA VAL 66 -4.645 -11.064 -22.611 422 HB VAL 66 HB VAL 66 -6.712 -11.131 -20.563 423 HG11 VAL 66 HG11 VAL 66 -8.216 -10.367 -22.272 424 HG12 VAL 66 HG12 VAL 66 -6.989 -10.289 -23.323 425 HG13 VAL 66 HG13 VAL 66 -7.032 -9.287 -22.054 426 HG21 VAL 66 HG21 VAL 66 -7.792 -12.822 -21.890 427 HG22 VAL 66 HG22 VAL 66 -6.336 -13.340 -21.415 428 HG23 VAL 66 HG23 VAL 66 -6.550 -12.806 -22.926 429 H ARG 67 H ARG 67 -4.320 -8.836 -22.878 430 HA ARG 67 HA ARG 67 -4.365 -7.228 -20.541 431 HB2 ARG 67 HB2 ARG 67 -2.129 -6.398 -20.850 432 HB3 ARG 67 HB3 ARG 67 -2.085 -8.018 -20.650 433 HG2 ARG 67 HG2 ARG 67 -1.808 -8.301 -22.980 434 HG3 ARG 67 HG3 ARG 67 -1.860 -6.682 -23.185 435 HD2 ARG 67 HD2 ARG 67 0.107 -6.482 -21.817 436 HD3 ARG 67 HD3 ARG 67 0.180 -8.111 -21.728 437 HE ARG 67 HE ARG 67 0.166 -7.429 -24.400 438 HH11 ARG 67 HH11 ARG 67 2.292 -7.204 -21.602 439 HH12 ARG 67 HH12 ARG 67 3.730 -7.206 -22.567 440 HH21 ARG 67 HH21 ARG 67 2.057 -7.447 -25.608 441 HH22 ARG 67 HH22 ARG 67 3.597 -7.343 -24.823 442 H ASN 68 H ASN 68 -4.015 -4.854 -20.952 443 HA ASN 68 HA ASN 68 -4.497 -3.077 -22.131 444 HB2 ASN 68 HB2 ASN 68 -2.823 -4.478 -24.061 445 HB3 ASN 68 HB3 ASN 68 -3.169 -2.893 -24.247 446 HD21 ASN 68 HD21 ASN 68 0.140 -3.040 -22.724 447 HD22 ASN 68 HD22 ASN 68 -0.574 -3.535 -24.222 448 H VAL 69 H VAL 69 -6.817 -3.641 -22.221 449 HA VAL 69 HA VAL 69 -7.871 -4.450 -24.613 450 HB VAL 69 HB VAL 69 -9.310 -2.708 -22.763 451 HG11 VAL 69 HG11 VAL 69 -11.257 -3.867 -23.520 452 HG12 VAL 69 HG12 VAL 69 -10.346 -4.767 -24.507 453 HG13 VAL 69 HG13 VAL 69 -10.502 -3.180 -24.775 454 HG21 VAL 69 HG21 VAL 69 -9.940 -4.636 -21.505 455 HG22 VAL 69 HG22 VAL 69 -8.333 -4.458 -21.468 456 HG23 VAL 69 HG23 VAL 69 -9.002 -5.564 -22.439 457 H ASP 70 H ASP 70 -8.986 -3.303 -26.330 458 HA ASP 70 HA ASP 70 -7.594 -1.058 -27.099 459 HB2 ASP 70 HB2 ASP 70 -8.950 -1.089 -29.054 460 HB3 ASP 70 HB3 ASP 70 -8.623 -2.637 -28.649 461 H HIS 71 H HIS 71 -10.500 -1.326 -25.331 462 HA HIS 71 HA HIS 71 -11.336 1.284 -25.838 463 HB2 HIS 71 HB2 HIS 71 -12.960 1.015 -24.165 464 HB3 HIS 71 HB3 HIS 71 -12.894 -0.346 -25.065 465 HD1 HIS 71 HD1 HIS 71 -11.280 0.824 -21.864 466 HD2 HIS 71 HD2 HIS 71 -13.021 -2.510 -23.481 467 HE1 HIS 71 HE1 HIS 71 -11.247 -0.980 -20.158 468 HE2 HIS 71 HE2 HIS 71 -12.302 -3.011 -21.103 469 H ASN 72 H ASN 72 -8.792 0.149 -24.093 470 HA ASN 72 HA ASN 72 -8.491 2.770 -22.941 471 HB2 ASN 72 HB2 ASN 72 -7.166 1.843 -21.169 472 HB3 ASN 72 HB3 ASN 72 -8.698 1.278 -21.142 473 HD21 ASN 72 HD21 ASN 72 -5.615 -1.215 -21.915 474 HD22 ASN 72 HD22 ASN 72 -5.457 0.493 -22.156 475 H ARG 73 H ARG 73 -7.779 1.778 -25.563 476 HA ARG 73 HA ARG 73 -5.066 1.351 -25.720 477 HB2 ARG 73 HB2 ARG 73 -6.627 0.936 -27.530 478 HB3 ARG 73 HB3 ARG 73 -6.744 2.548 -27.762 479 HG2 ARG 73 HG2 ARG 73 -4.371 2.518 -28.321 480 HG3 ARG 73 HG3 ARG 73 -4.485 0.889 -28.353 481 HD2 ARG 73 HD2 ARG 73 -6.019 2.658 -30.047 482 HD3 ARG 73 HD3 ARG 73 -4.736 1.781 -30.552 483 HE ARG 73 HE ARG 73 -6.383 -0.102 -29.616 484 HH11 ARG 73 HH11 ARG 73 -6.717 2.467 -32.007 485 HH12 ARG 73 HH12 ARG 73 -7.917 1.603 -32.909 486 HH21 ARG 73 HH21 ARG 73 -7.937 -1.174 -30.825 487 HH22 ARG 73 HH22 ARG 73 -8.601 -0.439 -32.246 488 H VAL 74 H VAL 74 -6.904 4.260 -25.660 489 HA VAL 74 HA VAL 74 -4.849 5.916 -26.527 490 HB VAL 74 HB VAL 74 -7.234 6.728 -25.052 491 HG11 VAL 74 HG11 VAL 74 -6.891 8.910 -25.968 492 HG12 VAL 74 HG12 VAL 74 -5.529 8.406 -26.679 493 HG13 VAL 74 HG13 VAL 74 -5.618 8.485 -25.066 494 HG21 VAL 74 HG21 VAL 74 -8.226 7.156 -27.197 495 HG22 VAL 74 HG22 VAL 74 -7.824 5.594 -27.082 496 HG23 VAL 74 HG23 VAL 74 -6.893 6.608 -27.930 497 H VAL 75 H VAL 75 -6.147 5.209 -23.375 498 HA VAL 75 HA VAL 75 -3.636 5.892 -22.178 499 HB VAL 75 HB VAL 75 -4.851 7.899 -21.904 500 HG11 VAL 75 HG11 VAL 75 -6.926 7.983 -20.711 501 HG12 VAL 75 HG12 VAL 75 -6.934 6.369 -20.608 502 HG13 VAL 75 HG13 VAL 75 -7.081 7.088 -22.049 503 HG21 VAL 75 HG21 VAL 75 -4.749 8.143 -19.519 504 HG22 VAL 75 HG22 VAL 75 -3.441 7.362 -20.061 505 HG23 VAL 75 HG23 VAL 75 -4.641 6.538 -19.359 506 HA PRO 76 HA PRO 76 -4.747 2.098 -20.369 507 HB2 PRO 76 HB2 PRO 76 -2.851 1.827 -18.497 508 HB3 PRO 76 HB3 PRO 76 -2.474 1.603 -20.070 509 HG2 PRO 76 HG2 PRO 76 -2.109 3.953 -18.504 510 HG3 PRO 76 HG3 PRO 76 -1.039 3.244 -19.513 511 HD2 PRO 76 HD2 PRO 76 -2.389 5.291 -20.316 512 HD3 PRO 76 HD3 PRO 76 -2.054 4.084 -21.364 513 HA PRO 77 HA PRO 77 -7.250 3.050 -17.210 514 HB2 PRO 77 HB2 PRO 77 -7.945 0.723 -16.094 515 HB3 PRO 77 HB3 PRO 77 -8.343 0.980 -17.657 516 HG2 PRO 77 HG2 PRO 77 -6.073 -0.436 -16.645 517 HG3 PRO 77 HG3 PRO 77 -7.104 -0.914 -17.817 518 HD2 PRO 77 HD2 PRO 77 -4.819 0.181 -18.433 519 HD3 PRO 77 HD3 PRO 77 -6.129 0.418 -19.378 520 H ASP 78 H ASP 78 -7.613 3.756 -15.242 521 HA ASP 78 HA ASP 78 -5.591 3.107 -13.297 522 HB2 ASP 78 HB2 ASP 78 -6.128 5.175 -12.246 523 HB3 ASP 78 HB3 ASP 78 -5.793 5.449 -13.821 524 H GLY 79 H GLY 79 -8.407 2.049 -14.208 525 HA2 GLY 79 HA2 GLY 79 -9.359 1.510 -11.546 526 HA3 GLY 79 HA3 GLY 79 -10.393 2.169 -12.625 527 H SER 80 H SER 80 -11.841 0.378 -12.479 528 HA SER 80 HA SER 80 -10.785 -2.168 -13.145 529 HB2 SER 80 HB2 SER 80 -13.215 -2.816 -12.795 530 HB3 SER 80 HB3 SER 80 -12.441 -2.244 -11.476 531 HG SER 80 HG SER 80 -13.264 -0.136 -12.278 532 H VAL 81 H VAL 81 -11.306 -3.497 -14.903 533 HA VAL 81 HA VAL 81 -12.803 -2.241 -16.985 534 HB VAL 81 HB VAL 81 -11.154 -2.959 -18.662 535 HG11 VAL 81 HG11 VAL 81 -9.609 -1.168 -18.263 536 HG12 VAL 81 HG12 VAL 81 -10.133 -1.050 -16.738 537 HG13 VAL 81 HG13 VAL 81 -11.119 -0.673 -17.963 538 HG21 VAL 81 HG21 VAL 81 -8.956 -3.568 -17.924 539 HG22 VAL 81 HG22 VAL 81 -10.036 -4.645 -17.388 540 HG23 VAL 81 HG23 VAL 81 -9.452 -3.518 -16.386 541 H THR 82 H THR 82 -13.504 -3.804 -18.737 542 HA THR 82 HA THR 82 -13.641 -6.458 -17.661 543 HB THR 82 HB THR 82 -15.828 -5.437 -17.403 544 HG1 THR 82 HG1 THR 82 -17.067 -6.990 -18.508 545 HG21 THR 82 HG21 THR 82 -17.086 -4.791 -19.341 546 HG22 THR 82 HG22 THR 82 -15.843 -5.181 -20.299 547 HG23 THR 82 HG23 THR 82 -15.725 -3.919 -19.295 548 H PHE 83 H PHE 83 -13.970 -8.237 -19.133 549 HA PHE 83 HA PHE 83 -13.585 -7.813 -21.906 550 HB2 PHE 83 HB2 PHE 83 -11.553 -8.958 -22.122 551 HB3 PHE 83 HB3 PHE 83 -11.335 -7.669 -21.143 552 HD1 PHE 83 HD1 PHE 83 -11.008 -11.129 -21.399 553 HD2 PHE 83 HD2 PHE 83 -11.176 -8.042 -18.656 554 HE1 PHE 83 HE1 PHE 83 -10.052 -12.559 -19.734 555 HE2 PHE 83 HE2 PHE 83 -10.227 -9.464 -16.993 556 HZ PHE 83 HZ PHE 83 -9.646 -11.718 -17.532 557 H GLY 84 H GLY 84 -13.238 -10.269 -22.920 558 HA2 GLY 84 HA2 GLY 84 -14.513 -12.192 -21.255 559 HA3 GLY 84 HA3 GLY 84 -15.437 -11.686 -22.503 560 H PHE 85 H PHE 85 -14.941 -14.327 -22.384 561 HA PHE 85 HA PHE 85 -13.360 -14.738 -24.678 562 HB2 PHE 85 HB2 PHE 85 -11.811 -16.274 -23.685 563 HB3 PHE 85 HB3 PHE 85 -11.696 -14.834 -22.922 564 HD1 PHE 85 HD1 PHE 85 -12.398 -14.589 -20.607 565 HD2 PHE 85 HD2 PHE 85 -12.713 -18.220 -22.556 566 HE1 PHE 85 HE1 PHE 85 -12.766 -15.677 -18.519 567 HE2 PHE 85 HE2 PHE 85 -13.099 -19.315 -20.467 568 HZ PHE 85 HZ PHE 85 -13.141 -18.037 -18.444 569 H THR 86 H THR 86 -13.295 -17.080 -25.405 570 HA THR 86 HA THR 86 -15.551 -18.532 -24.344 571 HB THR 86 HB THR 86 -16.121 -17.877 -26.564 572 HG1 THR 86 HG1 THR 86 -17.128 -19.663 -26.560 573 HG21 THR 86 HG21 THR 86 -14.842 -18.643 -28.445 574 HG22 THR 86 HG22 THR 86 -13.767 -19.333 -27.453 575 HG23 THR 86 HG23 THR 86 -13.895 -17.722 -27.512 576 H ALA 87 H ALA 87 -15.319 -20.853 -24.175 577 HA ALA 87 HA ALA 87 -12.685 -21.882 -24.453 578 HB1 ALA 87 HB1 ALA 87 -12.516 -20.774 -22.328 579 HB2 ALA 87 HB2 ALA 87 -12.425 -22.372 -22.097 580 HB3 ALA 87 HB3 ALA 87 -13.805 -21.587 -21.787 581 H THR 88 H THR 88 -12.564 -24.222 -23.622 582 HA THR 88 HA THR 88 -15.100 -25.468 -23.486 583 HB THR 88 HB THR 88 -14.651 -25.584 -25.863 584 HG1 THR 88 HG1 THR 88 -15.891 -27.200 -25.240 585 HG21 THR 88 HG21 THR 88 -12.815 -26.886 -26.667 586 HG22 THR 88 HG22 THR 88 -12.316 -27.150 -25.152 587 HG23 THR 88 HG23 THR 88 -12.239 -25.662 -25.781 588 H SER 89 H SER 89 -14.674 -28.024 -23.310 589 HA SER 89 HA SER 89 -12.288 -28.548 -21.925 590 HB2 SER 89 HB2 SER 89 -13.768 -27.582 -20.181 591 HB3 SER 89 HB3 SER 89 -14.757 -28.865 -20.387 592 HG SER 89 HG SER 89 -13.556 -29.421 -18.725 593 H THR 90 H THR 90 -11.938 -30.768 -21.252 594 HA THR 90 HA THR 90 -13.514 -32.566 -22.802 595 HB THR 90 HB THR 90 -11.662 -34.181 -22.387 596 HG1 THR 90 HG1 THR 90 -11.105 -32.838 -20.443 597 HG21 THR 90 HG21 THR 90 -10.078 -33.087 -23.830 598 HG22 THR 90 HG22 THR 90 -10.789 -31.661 -23.557 599 HG23 THR 90 HG23 THR 90 -11.566 -32.803 -24.397 600 H GLY 91 H GLY 91 -13.658 -31.357 -19.866 601 HA2 GLY 91 HA2 GLY 91 -15.244 -33.418 -18.879 602 HA3 GLY 91 HA3 GLY 91 -13.793 -33.438 -18.129 603 H ASN 92 H ASN 92 -13.155 -30.898 -17.608 604 HA ASN 92 HA ASN 92 -15.363 -30.043 -15.965 605 HB2 ASN 92 HB2 ASN 92 -12.541 -29.757 -15.358 606 HB3 ASN 92 HB3 ASN 92 -13.736 -29.213 -14.386 607 HD21 ASN 92 HD21 ASN 92 -12.567 -33.041 -14.264 608 HD22 ASN 92 HD22 ASN 92 -11.934 -31.909 -15.411 609 H ASP 93 H ASP 93 -16.343 -28.295 -16.870 610 HA ASP 93 HA ASP 93 -14.900 -26.597 -18.531 611 HB2 ASP 93 HB2 ASP 93 -17.582 -26.369 -17.448 612 HB3 ASP 93 HB3 ASP 93 -17.005 -25.269 -18.509 613 H PHE 94 H PHE 94 -15.425 -26.612 -15.218 614 HA PHE 94 HA PHE 94 -15.049 -23.821 -14.906 615 HB2 PHE 94 HB2 PHE 94 -15.293 -24.363 -12.505 616 HB3 PHE 94 HB3 PHE 94 -16.582 -24.782 -13.416 617 HD1 PHE 94 HD1 PHE 94 -17.169 -27.097 -13.760 618 HD2 PHE 94 HD2 PHE 94 -13.847 -26.069 -11.528 619 HE1 PHE 94 HE1 PHE 94 -16.998 -29.347 -12.985 620 HE2 PHE 94 HE2 PHE 94 -13.672 -28.316 -10.746 621 HZ PHE 94 HZ PHE 94 -15.239 -29.963 -11.484 622 HA PRO 95 HA PRO 95 -10.769 -24.146 -13.858 623 HB2 PRO 95 HB2 PRO 95 -10.314 -21.834 -12.680 624 HB3 PRO 95 HB3 PRO 95 -10.620 -21.827 -14.284 625 HG2 PRO 95 HG2 PRO 95 -12.433 -21.290 -12.153 626 HG3 PRO 95 HG3 PRO 95 -12.236 -20.447 -13.538 627 HD2 PRO 95 HD2 PRO 95 -14.177 -22.201 -13.268 628 HD3 PRO 95 HD3 PRO 95 -13.517 -21.884 -14.728 629 H VAL 96 H VAL 96 -9.306 -24.259 -11.968 630 HA VAL 96 HA VAL 96 -10.677 -25.714 -10.044 631 HB VAL 96 HB VAL 96 -7.931 -24.865 -9.650 632 HG11 VAL 96 HG11 VAL 96 -7.675 -27.009 -8.604 633 HG12 VAL 96 HG12 VAL 96 -9.218 -27.360 -8.935 634 HG13 VAL 96 HG13 VAL 96 -8.865 -26.183 -7.885 635 HG21 VAL 96 HG21 VAL 96 -7.179 -26.667 -11.054 636 HG22 VAL 96 HG22 VAL 96 -8.051 -25.620 -11.926 637 HG23 VAL 96 HG23 VAL 96 -8.711 -27.014 -11.439 638 H ASP 97 H ASP 97 -9.418 -22.546 -10.196 639 HA ASP 97 HA ASP 97 -10.733 -21.795 -7.766 640 HB2 ASP 97 HB2 ASP 97 -8.419 -22.343 -7.182 641 HB3 ASP 97 HB3 ASP 97 -7.952 -21.097 -8.129 642 H SER 98 H SER 98 -10.634 -19.299 -7.497 643 HA SER 98 HA SER 98 -11.479 -18.124 -9.818 644 HB2 SER 98 HB2 SER 98 -11.329 -16.016 -8.574 645 HB3 SER 98 HB3 SER 98 -12.057 -17.179 -7.689 646 HG SER 98 HG SER 98 -10.663 -16.674 -6.263 647 H ILE 99 H ILE 99 -10.573 -16.117 -10.855 648 HA ILE 99 HA ILE 99 -7.883 -16.796 -11.605 649 HB ILE 99 HB ILE 99 -10.125 -15.855 -13.034 650 HG12 ILE 99 HG12 ILE 99 -8.876 -16.898 -14.891 651 HG13 ILE 99 HG13 ILE 99 -7.754 -17.312 -13.780 652 HG21 ILE 99 HG21 ILE 99 -8.972 -14.555 -14.653 653 HG22 ILE 99 HG22 ILE 99 -7.620 -14.649 -13.772 654 HG23 ILE 99 HG23 ILE 99 -8.902 -13.845 -13.202 655 HD11 ILE 99 HD11 ILE 99 -9.201 -19.151 -14.203 656 HD12 ILE 99 HD12 ILE 99 -10.480 -18.263 -13.768 657 HD13 ILE 99 HD13 ILE 99 -9.369 -18.673 -12.668 658 H GLY 100 H GLY 100 -6.147 -15.471 -11.471 659 HA2 GLY 100 HA2 GLY 100 -6.619 -13.020 -10.030 660 HA3 GLY 100 HA3 GLY 100 -5.230 -13.879 -9.994 661 H CYS 101 H CYS 101 -4.875 -11.286 -10.353 662 HA CYS 101 HA CYS 101 -4.377 -11.004 -13.188 663 HB2 CYS 101 HB2 CYS 101 -4.617 -8.545 -12.303 664 HB3 CYS 101 HB3 CYS 101 -5.730 -9.348 -13.188 665 H VAL 102 H VAL 102 -2.593 -9.503 -13.763 666 HA VAL 102 HA VAL 102 -0.656 -9.369 -11.684 667 HB VAL 102 HB VAL 102 1.091 -10.243 -13.192 668 HG11 VAL 102 HG11 VAL 102 0.477 -12.549 -13.017 669 HG12 VAL 102 HG12 VAL 102 -1.051 -12.125 -12.699 670 HG13 VAL 102 HG13 VAL 102 0.122 -11.777 -11.641 671 HG21 VAL 102 HG21 VAL 102 0.426 -11.333 -15.215 672 HG22 VAL 102 HG22 VAL 102 0.036 -9.765 -15.277 673 HG23 VAL 102 HG23 VAL 102 -1.104 -10.870 -14.969 674 H ALA 103 H ALA 103 1.307 -8.039 -12.242 675 HA ALA 103 HA ALA 103 0.673 -5.960 -14.165 676 HB1 ALA 103 HB1 ALA 103 0.517 -5.056 -11.959 677 HB2 ALA 103 HB2 ALA 103 1.805 -4.409 -12.692 678 HB3 ALA 103 HB3 ALA 103 2.001 -5.594 -11.610 679 HA PRO 104 HA PRO 104 4.607 -7.015 -15.762 680 HB2 PRO 104 HB2 PRO 104 5.433 -4.798 -16.986 681 HB3 PRO 104 HB3 PRO 104 4.152 -5.598 -17.608 682 HG2 PRO 104 HG2 PRO 104 4.126 -3.324 -15.891 683 HG3 PRO 104 HG3 PRO 104 3.258 -3.560 -17.254 684 HD2 PRO 104 HD2 PRO 104 2.189 -3.989 -14.908 685 HD3 PRO 104 HD3 PRO 104 1.742 -4.885 -16.198 Start of MODEL 17 1 H1 HIS 1 H1 HIS 1 -2.771 -9.136 -8.963 2 H2 HIS 1 H2 HIS 1 -2.281 -7.793 -8.208 3 H3 HIS 1 H3 HIS 1 -3.828 -7.952 -8.652 4 HA HIS 1 HA HIS 1 -4.120 -9.690 -7.112 5 HB2 HIS 1 HB2 HIS 1 -1.345 -9.250 -6.433 6 HB3 HIS 1 HB3 HIS 1 -2.336 -10.198 -5.546 7 HD1 HIS 1 HD1 HIS 1 -3.207 -12.477 -6.657 8 HD2 HIS 1 HD2 HIS 1 -0.157 -10.516 -8.558 9 HE1 HIS 1 HE1 HIS 1 -2.185 -14.034 -8.302 10 HE2 HIS 1 HE2 HIS 1 -0.338 -12.873 -9.470 11 H THR 2 H THR 2 -4.099 -9.380 -4.549 12 HA THR 2 HA THR 2 -5.572 -7.187 -4.188 13 HB THR 2 HB THR 2 -5.471 -9.023 -2.557 14 HG1 THR 2 HG1 THR 2 -5.895 -6.513 -2.029 15 HG21 THR 2 HG21 THR 2 -3.781 -8.981 -0.864 16 HG22 THR 2 HG22 THR 2 -3.086 -7.700 -1.563 17 HG23 THR 2 HG23 THR 2 -3.066 -9.136 -2.306 18 H GLY 3 H GLY 3 -5.421 -5.143 -3.145 19 HA2 GLY 3 HA2 GLY 3 -4.150 -3.303 -2.539 20 HA3 GLY 3 HA3 GLY 3 -2.775 -4.051 -3.005 21 H SER 4 H SER 4 -3.377 -4.846 -5.565 22 HA SER 4 HA SER 4 -3.527 -2.306 -6.883 23 HB2 SER 4 HB2 SER 4 -1.578 -3.531 -7.487 24 HB3 SER 4 HB3 SER 4 -2.474 -4.845 -7.859 25 HG SER 4 HG SER 4 -2.497 -4.161 -9.778 26 H CYS 5 H CYS 5 -4.706 -5.575 -7.337 27 HA CYS 5 HA CYS 5 -7.182 -4.588 -8.188 28 HB2 CYS 5 HB2 CYS 5 -7.195 -5.731 -10.281 29 HB3 CYS 5 HB3 CYS 5 -6.137 -4.488 -10.228 30 H MET 6 H MET 6 -8.852 -6.214 -8.620 31 HA MET 6 HA MET 6 -8.148 -8.859 -7.674 32 HB2 MET 6 HB2 MET 6 -10.610 -7.464 -7.164 33 HB3 MET 6 HB3 MET 6 -10.439 -9.067 -6.899 34 HG2 MET 6 HG2 MET 6 -8.992 -7.006 -5.590 35 HG3 MET 6 HG3 MET 6 -10.249 -7.826 -4.945 36 HE1 MET 6 HE1 MET 6 -7.895 -9.687 -2.699 37 HE2 MET 6 HE2 MET 6 -9.420 -9.183 -2.890 38 HE3 MET 6 HE3 MET 6 -8.210 -8.111 -2.871 39 H ALA 7 H ALA 7 -9.133 -10.641 -8.872 40 HA ALA 7 HA ALA 7 -10.366 -9.760 -11.335 41 HB1 ALA 7 HB1 ALA 7 -8.223 -10.722 -11.784 42 HB2 ALA 7 HB2 ALA 7 -9.370 -11.667 -12.421 43 HB3 ALA 7 HB3 ALA 7 -8.660 -12.084 -11.030 44 H VAL 8 H VAL 8 -12.274 -10.692 -12.011 45 HA VAL 8 HA VAL 8 -13.301 -12.772 -10.309 46 HB VAL 8 HB VAL 8 -14.899 -10.573 -11.362 47 HG11 VAL 8 HG11 VAL 8 -16.720 -11.458 -10.079 48 HG12 VAL 8 HG12 VAL 8 -15.796 -12.701 -9.615 49 HG13 VAL 8 HG13 VAL 8 -16.228 -12.550 -11.166 50 HG21 VAL 8 HG21 VAL 8 -15.093 -9.816 -9.089 51 HG22 VAL 8 HG22 VAL 8 -13.538 -9.829 -9.535 52 HG23 VAL 8 HG23 VAL 8 -14.122 -11.014 -8.603 53 H TYR 9 H TYR 9 -14.051 -14.600 -11.371 54 HA TYR 9 HA TYR 9 -14.266 -14.346 -14.217 55 HB2 TYR 9 HB2 TYR 9 -12.778 -16.044 -13.733 56 HB3 TYR 9 HB3 TYR 9 -13.736 -16.642 -12.553 57 HD1 TYR 9 HD1 TYR 9 -14.784 -18.674 -13.017 58 HD2 TYR 9 HD2 TYR 9 -13.987 -16.098 -16.152 59 HE1 TYR 9 HE1 TYR 9 -15.724 -20.247 -14.551 60 HE2 TYR 9 HE2 TYR 9 -14.962 -17.656 -17.676 61 HH TYR 9 HH TYR 9 -16.060 -20.825 -16.690 62 H SER 10 H SER 10 -16.209 -14.188 -15.143 63 HA SER 10 HA SER 10 -18.391 -15.570 -13.868 64 HB2 SER 10 HB2 SER 10 -19.606 -13.897 -15.536 65 HB3 SER 10 HB3 SER 10 -19.285 -13.494 -13.987 66 HG SER 10 HG SER 10 -17.144 -13.064 -15.399 67 H VAL 11 H VAL 11 -19.718 -17.017 -15.029 68 HA VAL 11 HA VAL 11 -18.771 -17.841 -17.559 69 HB VAL 11 HB VAL 11 -21.199 -18.661 -16.205 70 HG11 VAL 11 HG11 VAL 11 -21.285 -20.486 -17.758 71 HG12 VAL 11 HG12 VAL 11 -19.996 -19.895 -18.535 72 HG13 VAL 11 HG13 VAL 11 -21.394 -19.082 -18.552 73 HG21 VAL 11 HG21 VAL 11 -19.973 -20.643 -15.615 74 HG22 VAL 11 HG22 VAL 11 -19.235 -19.339 -15.007 75 HG23 VAL 11 HG23 VAL 11 -18.655 -20.048 -16.339 76 H GLU 12 H GLU 12 -19.448 -17.097 -19.569 77 HA GLU 12 HA GLU 12 -21.322 -14.934 -19.498 78 HB2 GLU 12 HB2 GLU 12 -19.442 -14.312 -20.638 79 HB3 GLU 12 HB3 GLU 12 -19.324 -15.757 -21.390 80 HG2 GLU 12 HG2 GLU 12 -20.973 -15.204 -22.885 81 HG3 GLU 12 HG3 GLU 12 -21.380 -13.872 -22.031 82 H ASN 13 H ASN 13 -20.770 -17.854 -21.312 83 HA ASN 13 HA ASN 13 -23.569 -18.305 -21.474 84 HB2 ASN 13 HB2 ASN 13 -22.733 -17.023 -23.522 85 HB3 ASN 13 HB3 ASN 13 -22.263 -18.509 -24.010 86 HD21 ASN 13 HD21 ASN 13 -26.068 -17.372 -24.318 87 HD22 ASN 13 HD22 ASN 13 -24.798 -16.334 -23.762 88 H SER 14 H SER 14 -24.074 -20.538 -22.420 89 HA SER 14 HA SER 14 -21.855 -22.308 -22.348 90 HB2 SER 14 HB2 SER 14 -22.960 -23.736 -20.632 91 HB3 SER 14 HB3 SER 14 -22.400 -22.323 -20.034 92 HG SER 14 HG SER 14 -24.944 -22.345 -20.967 93 H TRP 15 H TRP 15 -22.083 -24.102 -23.651 94 HA TRP 15 HA TRP 15 -24.703 -24.971 -24.283 95 HB2 TRP 15 HB2 TRP 15 -24.498 -24.741 -26.648 96 HB3 TRP 15 HB3 TRP 15 -24.421 -23.277 -25.927 97 HD1 TRP 15 HD1 TRP 15 -22.328 -25.584 -27.913 98 HE1 TRP 15 HE1 TRP 15 -20.216 -24.507 -28.742 99 HE3 TRP 15 HE3 TRP 15 -22.736 -21.332 -25.334 100 HZ2 TRP 15 HZ2 TRP 15 -18.927 -22.065 -28.219 101 HZ3 TRP 15 HZ3 TRP 15 -21.023 -19.670 -25.556 102 HH2 TRP 15 HH2 TRP 15 -19.136 -20.043 -26.982 103 H SER 16 H SER 16 -24.508 -26.858 -26.081 104 HA SER 16 HA SER 16 -22.863 -28.727 -24.862 105 HB2 SER 16 HB2 SER 16 -23.536 -30.070 -26.957 106 HB3 SER 16 HB3 SER 16 -24.692 -29.708 -25.863 107 HG SER 16 HG SER 16 -24.848 -29.171 -28.276 108 H GLY 17 H GLY 17 -20.742 -29.051 -25.021 109 HA2 GLY 17 HA2 GLY 17 -18.884 -29.579 -26.238 110 HA3 GLY 17 HA3 GLY 17 -19.584 -29.042 -27.613 111 H GLY 18 H GLY 18 -20.065 -26.535 -25.694 112 HA2 GLY 18 HA2 GLY 18 -17.469 -25.433 -25.665 113 HA3 GLY 18 HA3 GLY 18 -18.375 -24.828 -26.882 114 H PHE 19 H PHE 19 -17.341 -23.199 -24.883 115 HA PHE 19 HA PHE 19 -19.742 -22.335 -23.600 116 HB2 PHE 19 HB2 PHE 19 -17.319 -22.851 -22.092 117 HB3 PHE 19 HB3 PHE 19 -18.654 -22.160 -21.453 118 HD1 PHE 19 HD1 PHE 19 -17.399 -25.267 -22.774 119 HD2 PHE 19 HD2 PHE 19 -20.410 -23.466 -20.592 120 HE1 PHE 19 HE1 PHE 19 -18.268 -27.416 -22.201 121 HE2 PHE 19 HE2 PHE 19 -21.261 -25.611 -19.986 122 HZ PHE 19 HZ PHE 19 -20.198 -27.592 -20.801 123 H GLN 20 H GLN 20 -19.441 -20.155 -22.483 124 HA GLN 20 HA GLN 20 -17.276 -18.651 -23.670 125 HB2 GLN 20 HB2 GLN 20 -19.970 -18.232 -24.082 126 HB3 GLN 20 HB3 GLN 20 -19.321 -16.917 -23.363 127 HG2 GLN 20 HG2 GLN 20 -17.921 -16.528 -25.110 128 HG3 GLN 20 HG3 GLN 20 -18.162 -18.020 -25.730 129 HE21 GLN 20 HE21 GLN 20 -19.973 -15.604 -27.835 130 HE22 GLN 20 HE22 GLN 20 -18.324 -15.796 -27.341 131 H GLY 21 H GLY 21 -16.327 -17.033 -22.351 132 HA2 GLY 21 HA2 GLY 21 -17.361 -16.884 -19.670 133 HA3 GLY 21 HA3 GLY 21 -15.831 -17.418 -19.871 134 H SER 22 H SER 22 -16.445 -15.186 -18.326 135 HA SER 22 HA SER 22 -15.054 -13.168 -19.829 136 HB2 SER 22 HB2 SER 22 -16.561 -11.463 -18.877 137 HB3 SER 22 HB3 SER 22 -17.313 -12.446 -19.943 138 HG SER 22 HG SER 22 -18.647 -12.883 -18.462 139 H VAL 23 H VAL 23 -13.710 -11.761 -18.600 140 HA VAL 23 HA VAL 23 -13.568 -12.472 -15.833 141 HB VAL 23 HB VAL 23 -11.042 -12.002 -16.116 142 HG11 VAL 23 HG11 VAL 23 -10.673 -14.369 -16.299 143 HG12 VAL 23 HG12 VAL 23 -12.204 -14.574 -16.777 144 HG13 VAL 23 HG13 VAL 23 -11.886 -14.078 -15.271 145 HG21 VAL 23 HG21 VAL 23 -10.209 -12.804 -18.206 146 HG22 VAL 23 HG22 VAL 23 -11.131 -11.497 -18.440 147 HG23 VAL 23 HG23 VAL 23 -11.721 -12.970 -18.753 148 H GLU 24 H GLU 24 -13.943 -10.782 -14.542 149 HA GLU 24 HA GLU 24 -13.630 -8.160 -15.641 150 HB2 GLU 24 HB2 GLU 24 -15.708 -8.718 -14.563 151 HB3 GLU 24 HB3 GLU 24 -14.902 -8.927 -13.158 152 HG2 GLU 24 HG2 GLU 24 -14.300 -6.597 -13.241 153 HG3 GLU 24 HG3 GLU 24 -15.289 -6.438 -14.530 154 H VAL 25 H VAL 25 -12.134 -6.668 -14.977 155 HA VAL 25 HA VAL 25 -10.417 -7.512 -12.836 156 HB VAL 25 HB VAL 25 -9.784 -5.514 -14.851 157 HG11 VAL 25 HG11 VAL 25 -7.542 -5.624 -14.013 158 HG12 VAL 25 HG12 VAL 25 -8.010 -6.675 -12.877 159 HG13 VAL 25 HG13 VAL 25 -8.543 -5.149 -12.836 160 HG21 VAL 25 HG21 VAL 25 -8.359 -7.165 -15.832 161 HG22 VAL 25 HG22 VAL 25 -9.890 -7.684 -15.839 162 HG23 VAL 25 HG23 VAL 25 -8.850 -8.249 -14.737 163 H MET 26 H MET 26 -10.739 -6.541 -10.903 164 HA MET 26 HA MET 26 -12.211 -4.083 -10.845 165 HB2 MET 26 HB2 MET 26 -13.067 -5.656 -9.387 166 HB3 MET 26 HB3 MET 26 -11.583 -6.025 -8.813 167 HG2 MET 26 HG2 MET 26 -12.796 -4.871 -7.247 168 HG3 MET 26 HG3 MET 26 -11.461 -4.044 -7.698 169 HE1 MET 26 HE1 MET 26 -15.737 -2.989 -8.777 170 HE2 MET 26 HE2 MET 26 -15.307 -4.067 -7.651 171 HE3 MET 26 HE3 MET 26 -15.059 -4.391 -9.216 172 H ASN 27 H ASN 27 -10.999 -2.290 -11.099 173 HA ASN 27 HA ASN 27 -8.331 -2.202 -10.292 174 HB2 ASN 27 HB2 ASN 27 -9.181 -0.834 -12.085 175 HB3 ASN 27 HB3 ASN 27 -10.037 0.034 -10.998 176 HD21 ASN 27 HD21 ASN 27 -7.409 2.331 -11.251 177 HD22 ASN 27 HD22 ASN 27 -9.007 1.961 -11.809 178 H HIS 28 H HIS 28 -7.401 -1.651 -8.344 179 HA HIS 28 HA HIS 28 -9.219 -0.578 -6.397 180 HB2 HIS 28 HB2 HIS 28 -8.238 -2.688 -5.784 181 HB3 HIS 28 HB3 HIS 28 -6.753 -2.013 -5.872 182 HD1 HIS 28 HD1 HIS 28 -9.914 -1.436 -3.924 183 HD2 HIS 28 HD2 HIS 28 -5.857 -1.188 -3.452 184 HE1 HIS 28 HE1 HIS 28 -9.444 -0.725 -1.591 185 HE2 HIS 28 HE2 HIS 28 -6.993 -0.580 -1.271 186 H GLY 29 H GLY 29 -6.554 0.191 -8.243 187 HA2 GLY 29 HA2 GLY 29 -5.504 2.127 -6.440 188 HA3 GLY 29 HA3 GLY 29 -4.961 1.819 -7.949 189 H THR 30 H THR 30 -5.614 4.379 -6.555 190 HA THR 30 HA THR 30 -7.677 5.387 -8.240 191 HB THR 30 HB THR 30 -7.579 6.256 -5.992 192 HG1 THR 30 HG1 THR 30 -7.026 8.516 -7.299 193 HG21 THR 30 HG21 THR 30 -5.796 7.729 -5.358 194 HG22 THR 30 HG22 THR 30 -5.068 7.488 -6.781 195 HG23 THR 30 HG23 THR 30 -5.170 6.280 -5.711 196 H GLU 31 H GLU 31 -4.499 4.753 -8.397 197 HA GLU 31 HA GLU 31 -3.736 6.916 -10.102 198 HB2 GLU 31 HB2 GLU 31 -2.184 4.628 -9.241 199 HB3 GLU 31 HB3 GLU 31 -1.563 5.940 -9.991 200 HG2 GLU 31 HG2 GLU 31 -1.941 7.266 -8.137 201 HG3 GLU 31 HG3 GLU 31 -2.809 6.089 -7.409 202 HA PRO 32 HA PRO 32 -4.728 4.561 -13.597 203 HB2 PRO 32 HB2 PRO 32 -3.419 5.810 -15.564 204 HB3 PRO 32 HB3 PRO 32 -4.717 6.533 -14.885 205 HG2 PRO 32 HG2 PRO 32 -1.962 6.974 -14.294 206 HG3 PRO 32 HG3 PRO 32 -3.130 8.093 -14.518 207 HD2 PRO 32 HD2 PRO 32 -2.401 7.409 -12.114 208 HD3 PRO 32 HD3 PRO 32 -3.951 7.823 -12.420 209 H LEU 33 H LEU 33 -4.234 2.603 -14.169 210 HA LEU 33 HA LEU 33 -1.409 2.013 -14.387 211 HB2 LEU 33 HB2 LEU 33 -2.574 1.031 -12.475 212 HB3 LEU 33 HB3 LEU 33 -3.390 0.111 -13.549 213 HG LEU 33 HG LEU 33 -1.709 -1.115 -12.485 214 HD11 LEU 33 HD11 LEU 33 -0.658 -2.082 -14.407 215 HD12 LEU 33 HD12 LEU 33 -1.139 -0.823 -15.300 216 HD13 LEU 33 HD13 LEU 33 -2.233 -1.838 -14.678 217 HD21 LEU 33 HD21 LEU 33 0.620 -0.621 -12.869 218 HD22 LEU 33 HD22 LEU 33 -0.095 0.598 -12.084 219 HD23 LEU 33 HD23 LEU 33 0.198 0.719 -13.669 220 H ASN 34 H ASN 34 -0.940 1.973 -16.511 221 HA ASN 34 HA ASN 34 -2.856 0.940 -18.314 222 HB2 ASN 34 HB2 ASN 34 -1.511 2.828 -18.954 223 HB3 ASN 34 HB3 ASN 34 -0.168 1.904 -18.852 224 HD21 ASN 34 HD21 ASN 34 -0.342 1.594 -22.307 225 HD22 ASN 34 HD22 ASN 34 0.509 2.296 -20.972 226 H GLY 35 H GLY 35 -3.023 -1.131 -19.099 227 HA2 GLY 35 HA2 GLY 35 -1.991 -2.827 -20.247 228 HA3 GLY 35 HA3 GLY 35 -0.538 -2.412 -19.628 229 H TRP 36 H TRP 36 -2.928 -2.858 -17.266 230 HA TRP 36 HA TRP 36 -1.602 -4.961 -16.135 231 HB2 TRP 36 HB2 TRP 36 -3.503 -5.262 -14.709 232 HB3 TRP 36 HB3 TRP 36 -3.096 -3.685 -14.836 233 HD1 TRP 36 HD1 TRP 36 -5.457 -5.711 -16.978 234 HE1 TRP 36 HE1 TRP 36 -7.708 -4.615 -17.164 235 HE3 TRP 36 HE3 TRP 36 -4.519 -1.832 -13.981 236 HZ2 TRP 36 HZ2 TRP 36 -8.861 -2.307 -16.052 237 HZ3 TRP 36 HZ3 TRP 36 -6.252 -0.224 -13.586 238 HH2 TRP 36 HH2 TRP 36 -8.402 -0.467 -14.615 239 H ALA 37 H ALA 37 -2.446 -7.205 -15.663 240 HA ALA 37 HA ALA 37 -3.680 -8.285 -18.012 241 HB1 ALA 37 HB1 ALA 37 -1.291 -8.551 -18.291 242 HB2 ALA 37 HB2 ALA 37 -1.975 -10.009 -18.152 243 HB3 ALA 37 HB3 ALA 37 -1.211 -9.351 -16.888 244 H VAL 38 H VAL 38 -4.610 -10.403 -17.866 245 HA VAL 38 HA VAL 38 -5.148 -11.204 -15.156 246 HB VAL 38 HB VAL 38 -6.964 -11.893 -17.301 247 HG11 VAL 38 HG11 VAL 38 -8.580 -12.047 -15.539 248 HG12 VAL 38 HG12 VAL 38 -7.464 -11.580 -14.466 249 HG13 VAL 38 HG13 VAL 38 -7.319 -13.006 -15.215 250 HG21 VAL 38 HG21 VAL 38 -8.264 -9.935 -16.870 251 HG22 VAL 38 HG22 VAL 38 -6.798 -9.517 -17.410 252 HG23 VAL 38 HG23 VAL 38 -7.140 -9.409 -15.833 253 H GLN 39 H GLN 39 -4.664 -13.363 -14.624 254 HA GLN 39 HA GLN 39 -4.000 -15.071 -16.838 255 HB2 GLN 39 HB2 GLN 39 -2.522 -15.074 -14.350 256 HB3 GLN 39 HB3 GLN 39 -2.140 -15.948 -15.676 257 HG2 GLN 39 HG2 GLN 39 -1.600 -13.945 -16.823 258 HG3 GLN 39 HG3 GLN 39 -1.946 -13.091 -15.475 259 HE21 GLN 39 HE21 GLN 39 1.666 -14.658 -15.988 260 HE22 GLN 39 HE22 GLN 39 0.420 -14.692 -17.192 261 H TRP 40 H TRP 40 -4.391 -17.335 -16.581 262 HA TRP 40 HA TRP 40 -5.254 -18.296 -14.104 263 HB2 TRP 40 HB2 TRP 40 -7.462 -18.971 -14.734 264 HB3 TRP 40 HB3 TRP 40 -7.321 -17.345 -14.787 265 HD1 TRP 40 HD1 TRP 40 -7.753 -20.235 -17.084 266 HE1 TRP 40 HE1 TRP 40 -8.622 -19.533 -19.333 267 HE3 TRP 40 HE3 TRP 40 -7.376 -15.307 -16.396 268 HZ2 TRP 40 HZ2 TRP 40 -9.108 -17.051 -20.559 269 HZ3 TRP 40 HZ3 TRP 40 -8.071 -13.832 -18.153 270 HH2 TRP 40 HH2 TRP 40 -8.957 -14.703 -20.201 271 H GLN 41 H GLN 41 -5.889 -20.662 -14.184 272 HA GLN 41 HA GLN 41 -4.527 -21.967 -16.378 273 HB2 GLN 41 HB2 GLN 41 -3.203 -22.252 -14.484 274 HB3 GLN 41 HB3 GLN 41 -4.499 -22.664 -13.579 275 HG2 GLN 41 HG2 GLN 41 -3.199 -24.562 -14.022 276 HG3 GLN 41 HG3 GLN 41 -4.658 -24.714 -14.739 277 HE21 GLN 41 HE21 GLN 41 -3.112 -25.697 -17.663 278 HE22 GLN 41 HE22 GLN 41 -4.219 -26.105 -16.395 279 HA PRO 42 HA PRO 42 -8.539 -23.754 -16.653 280 HB2 PRO 42 HB2 PRO 42 -8.250 -25.210 -18.866 281 HB3 PRO 42 HB3 PRO 42 -8.398 -23.589 -19.003 282 HG2 PRO 42 HG2 PRO 42 -5.994 -25.127 -18.990 283 HG3 PRO 42 HG3 PRO 42 -6.418 -23.942 -20.032 284 HD2 PRO 42 HD2 PRO 42 -4.836 -23.414 -18.043 285 HD3 PRO 42 HD3 PRO 42 -5.916 -22.295 -18.542 286 H GLY 43 H GLY 43 -9.627 -25.753 -16.354 287 HA2 GLY 43 HA2 GLY 43 -8.045 -27.501 -14.804 288 HA3 GLY 43 HA3 GLY 43 -9.640 -27.662 -15.115 289 H GLY 44 H GLY 44 -8.166 -29.942 -15.063 290 HA2 GLY 44 HA2 GLY 44 -7.248 -30.641 -17.613 291 HA3 GLY 44 HA3 GLY 44 -7.606 -31.685 -16.409 292 H GLY 45 H GLY 45 -8.448 -30.764 -19.441 293 HA2 GLY 45 HA2 GLY 45 -10.225 -31.915 -20.525 294 HA3 GLY 45 HA3 GLY 45 -11.111 -31.848 -19.154 295 H THR 46 H THR 46 -9.830 -28.956 -19.158 296 HA THR 46 HA THR 46 -11.802 -27.824 -20.922 297 HB THR 46 HB THR 46 -10.963 -25.907 -19.078 298 HG1 THR 46 HG1 THR 46 -11.375 -26.813 -17.169 299 HG21 THR 46 HG21 THR 46 -13.294 -25.802 -18.531 300 HG22 THR 46 HG22 THR 46 -13.555 -27.201 -19.298 301 HG23 THR 46 HG23 THR 46 -13.145 -25.882 -20.139 302 H THR 47 H THR 47 -11.154 -26.084 -22.338 303 HA THR 47 HA THR 47 -8.503 -25.137 -22.076 304 HB THR 47 HB THR 47 -8.164 -27.115 -23.466 305 HG1 THR 47 HG1 THR 47 -6.649 -26.179 -24.512 306 HG21 THR 47 HG21 THR 47 -9.024 -27.130 -25.696 307 HG22 THR 47 HG22 THR 47 -9.790 -25.731 -25.430 308 HG23 THR 47 HG23 THR 47 -10.266 -27.072 -24.662 309 H LEU 48 H LEU 48 -7.985 -23.331 -23.650 310 HA LEU 48 HA LEU 48 -10.385 -21.807 -23.930 311 HB2 LEU 48 HB2 LEU 48 -7.623 -20.987 -23.908 312 HB3 LEU 48 HB3 LEU 48 -8.824 -19.928 -24.230 313 HG LEU 48 HG LEU 48 -8.208 -19.506 -22.108 314 HD11 LEU 48 HD11 LEU 48 -10.162 -20.028 -20.802 315 HD12 LEU 48 HD12 LEU 48 -10.605 -21.119 -21.911 316 HD13 LEU 48 HD13 LEU 48 -10.582 -19.546 -22.288 317 HD21 LEU 48 HD21 LEU 48 -7.992 -21.162 -20.386 318 HD22 LEU 48 HD22 LEU 48 -6.960 -21.459 -21.595 319 HD23 LEU 48 HD23 LEU 48 -8.321 -22.322 -21.464 320 H GLY 49 H GLY 49 -10.863 -20.520 -25.850 321 HA2 GLY 49 HA2 GLY 49 -9.615 -21.631 -28.210 322 HA3 GLY 49 HA3 GLY 49 -11.158 -21.100 -28.159 323 H GLY 50 H GLY 50 -11.580 -18.782 -27.869 324 HA2 GLY 50 HA2 GLY 50 -9.383 -17.199 -28.895 325 HA3 GLY 50 HA3 GLY 50 -10.898 -17.039 -29.483 326 H VAL 51 H VAL 51 -9.509 -14.852 -28.514 327 HA VAL 51 HA VAL 51 -11.022 -14.225 -26.147 328 HB VAL 51 HB VAL 51 -8.248 -13.427 -26.531 329 HG11 VAL 51 HG11 VAL 51 -8.343 -12.519 -24.316 330 HG12 VAL 51 HG12 VAL 51 -9.908 -12.914 -24.216 331 HG13 VAL 51 HG13 VAL 51 -9.425 -11.782 -25.265 332 HG21 VAL 51 HG21 VAL 51 -7.707 -14.908 -24.713 333 HG22 VAL 51 HG22 VAL 51 -8.361 -15.745 -25.932 334 HG23 VAL 51 HG23 VAL 51 -9.252 -15.379 -24.633 335 H TRP 52 H TRP 52 -11.837 -12.057 -26.036 336 HA TRP 52 HA TRP 52 -11.130 -10.384 -28.229 337 HB2 TRP 52 HB2 TRP 52 -13.519 -9.801 -28.536 338 HB3 TRP 52 HB3 TRP 52 -13.077 -11.277 -29.080 339 HD1 TRP 52 HD1 TRP 52 -15.095 -9.741 -26.358 340 HE1 TRP 52 HE1 TRP 52 -16.699 -11.381 -25.332 341 HE3 TRP 52 HE3 TRP 52 -13.407 -13.818 -28.688 342 HZ2 TRP 52 HZ2 TRP 52 -17.126 -14.141 -25.620 343 HZ3 TRP 52 HZ3 TRP 52 -14.480 -15.918 -28.277 344 HH2 TRP 52 HH2 TRP 52 -16.335 -16.066 -26.767 345 H ASN 53 H ASN 53 -11.529 -8.142 -28.046 346 HA ASN 53 HA ASN 53 -11.593 -6.253 -26.954 347 HB2 ASN 53 HB2 ASN 53 -12.892 -7.521 -24.702 348 HB3 ASN 53 HB3 ASN 53 -12.851 -5.909 -24.964 349 HD21 ASN 53 HD21 ASN 53 -16.096 -7.453 -26.042 350 HD22 ASN 53 HD22 ASN 53 -15.141 -7.664 -24.612 351 H GLY 54 H GLY 54 -9.352 -8.002 -26.770 352 HA2 GLY 54 HA2 GLY 54 -7.773 -6.462 -25.105 353 HA3 GLY 54 HA3 GLY 54 -8.104 -7.860 -24.329 354 H SER 55 H SER 55 -5.492 -7.298 -24.894 355 HA SER 55 HA SER 55 -4.810 -8.813 -27.218 356 HB2 SER 55 HB2 SER 55 -3.051 -7.596 -25.251 357 HB3 SER 55 HB3 SER 55 -2.537 -8.260 -26.652 358 HG SER 55 HG SER 55 -3.487 -6.693 -27.805 359 H LEU 56 H LEU 56 -3.582 -10.854 -27.127 360 HA LEU 56 HA LEU 56 -3.701 -12.071 -24.529 361 HB2 LEU 56 HB2 LEU 56 -4.484 -14.101 -25.407 362 HB3 LEU 56 HB3 LEU 56 -5.491 -12.914 -25.900 363 HG LEU 56 HG LEU 56 -3.850 -13.094 -27.940 364 HD11 LEU 56 HD11 LEU 56 -3.599 -15.426 -28.443 365 HD12 LEU 56 HD12 LEU 56 -4.236 -15.809 -27.007 366 HD13 LEU 56 HD13 LEU 56 -2.802 -15.066 -27.083 367 HD21 LEU 56 HD21 LEU 56 -5.680 -14.164 -29.070 368 HD22 LEU 56 HD22 LEU 56 -6.235 -12.976 -28.124 369 HD23 LEU 56 HD23 LEU 56 -6.359 -14.516 -27.646 370 H THR 57 H THR 57 -2.125 -13.509 -23.898 371 HA THR 57 HA THR 57 -0.050 -14.085 -25.778 372 HB THR 57 HB THR 57 1.623 -13.603 -23.935 373 HG1 THR 57 HG1 THR 57 0.117 -11.689 -22.909 374 HG21 THR 57 HG21 THR 57 1.771 -11.288 -24.544 375 HG22 THR 57 HG22 THR 57 0.266 -11.330 -25.135 376 HG23 THR 57 HG23 THR 57 1.448 -12.149 -25.874 377 H SER 58 H SER 58 1.290 -15.988 -25.112 378 HA SER 58 HA SER 58 -0.010 -17.517 -23.044 379 HB2 SER 58 HB2 SER 58 1.110 -18.628 -25.494 380 HB3 SER 58 HB3 SER 58 0.388 -19.520 -24.333 381 HG SER 58 HG SER 58 -0.719 -18.333 -26.349 382 H GLY 59 H GLY 59 1.292 -18.970 -21.759 383 HA2 GLY 59 HA2 GLY 59 4.030 -18.116 -21.634 384 HA3 GLY 59 HA3 GLY 59 3.235 -18.955 -20.480 385 H SER 60 H SER 60 5.713 -19.822 -21.060 386 HA SER 60 HA SER 60 5.806 -21.621 -23.151 387 HB2 SER 60 HB2 SER 60 7.467 -21.712 -20.748 388 HB3 SER 60 HB3 SER 60 7.902 -22.307 -22.205 389 HG SER 60 HG SER 60 8.906 -20.443 -22.139 390 H ASP 61 H ASP 61 4.499 -21.852 -20.078 391 HA ASP 61 HA ASP 61 4.593 -24.680 -19.952 392 HB2 ASP 61 HB2 ASP 61 2.991 -23.590 -17.963 393 HB3 ASP 61 HB3 ASP 61 4.450 -24.298 -17.764 394 H GLY 62 H GLY 62 2.821 -22.859 -21.774 395 HA2 GLY 62 HA2 GLY 62 0.868 -23.368 -22.832 396 HA3 GLY 62 HA3 GLY 62 0.651 -24.667 -21.865 397 H THR 63 H THR 63 1.233 -21.588 -20.544 398 HA THR 63 HA THR 63 -1.359 -21.600 -19.336 399 HB THR 63 HB THR 63 -0.352 -19.767 -17.935 400 HG1 THR 63 HG1 THR 63 2.063 -20.584 -18.937 401 HG21 THR 63 HG21 THR 63 0.985 -21.270 -16.632 402 HG22 THR 63 HG22 THR 63 1.049 -22.312 -17.866 403 HG23 THR 63 HG23 THR 63 -0.351 -22.049 -17.102 404 H VAL 64 H VAL 64 -2.605 -19.485 -19.188 405 HA VAL 64 HA VAL 64 -2.158 -18.042 -21.614 406 HB VAL 64 HB VAL 64 -4.614 -17.725 -21.762 407 HG11 VAL 64 HG11 VAL 64 -5.063 -19.936 -22.596 408 HG12 VAL 64 HG12 VAL 64 -3.733 -20.486 -21.861 409 HG13 VAL 64 HG13 VAL 64 -3.604 -19.445 -23.092 410 HG21 VAL 64 HG21 VAL 64 -6.016 -19.125 -20.420 411 HG22 VAL 64 HG22 VAL 64 -5.173 -18.118 -19.477 412 HG23 VAL 64 HG23 VAL 64 -4.720 -19.664 -19.618 413 H THR 65 H THR 65 -2.579 -15.813 -21.776 414 HA THR 65 HA THR 65 -3.196 -14.482 -19.331 415 HB THR 65 HB THR 65 -0.749 -13.906 -20.829 416 HG1 THR 65 HG1 THR 65 -0.500 -14.362 -18.214 417 HG21 THR 65 HG21 THR 65 -0.304 -12.181 -19.234 418 HG22 THR 65 HG22 THR 65 -1.713 -12.473 -18.497 419 HG23 THR 65 HG23 THR 65 -1.695 -11.844 -19.986 420 H VAL 66 H VAL 66 -4.573 -12.758 -19.628 421 HA VAL 66 HA VAL 66 -4.754 -11.703 -22.316 422 HB VAL 66 HB VAL 66 -6.871 -11.741 -20.328 423 HG11 VAL 66 HG11 VAL 66 -8.303 -10.878 -22.040 424 HG12 VAL 66 HG12 VAL 66 -7.047 -10.786 -23.055 425 HG13 VAL 66 HG13 VAL 66 -7.102 -9.835 -21.749 426 HG21 VAL 66 HG21 VAL 66 -7.938 -13.355 -21.751 427 HG22 VAL 66 HG22 VAL 66 -6.507 -13.920 -21.255 428 HG23 VAL 66 HG23 VAL 66 -6.667 -13.323 -22.749 429 H ARG 67 H ARG 67 -4.544 -9.400 -22.590 430 HA ARG 67 HA ARG 67 -4.201 -7.905 -20.204 431 HB2 ARG 67 HB2 ARG 67 -1.941 -7.223 -20.797 432 HB3 ARG 67 HB3 ARG 67 -2.020 -8.835 -20.546 433 HG2 ARG 67 HG2 ARG 67 -2.050 -9.201 -22.882 434 HG3 ARG 67 HG3 ARG 67 -1.987 -7.590 -23.139 435 HD2 ARG 67 HD2 ARG 67 0.162 -7.473 -22.223 436 HD3 ARG 67 HD3 ARG 67 0.091 -9.037 -21.758 437 HE ARG 67 HE ARG 67 0.520 -9.764 -23.893 438 HH11 ARG 67 HH11 ARG 67 0.238 -6.253 -23.743 439 HH12 ARG 67 HH12 ARG 67 0.934 -6.036 -25.315 440 HH21 ARG 67 HH21 ARG 67 1.421 -9.422 -25.911 441 HH22 ARG 67 HH22 ARG 67 1.597 -7.814 -26.531 442 H ASN 68 H ASN 68 -3.560 -5.569 -20.562 443 HA ASN 68 HA ASN 68 -3.817 -3.684 -21.596 444 HB2 ASN 68 HB2 ASN 68 -3.265 -5.275 -23.935 445 HB3 ASN 68 HB3 ASN 68 -3.530 -3.675 -24.122 446 HD21 ASN 68 HD21 ASN 68 -0.455 -2.586 -22.906 447 HD22 ASN 68 HD22 ASN 68 -2.062 -2.116 -23.349 448 H VAL 69 H VAL 69 -5.999 -3.692 -20.715 449 HA VAL 69 HA VAL 69 -8.251 -3.945 -22.061 450 HB VAL 69 HB VAL 69 -7.453 -1.705 -20.388 451 HG11 VAL 69 HG11 VAL 69 -9.717 -0.943 -20.261 452 HG12 VAL 69 HG12 VAL 69 -10.154 -2.042 -21.364 453 HG13 VAL 69 HG13 VAL 69 -9.175 -0.824 -21.780 454 HG21 VAL 69 HG21 VAL 69 -8.867 -2.731 -18.742 455 HG22 VAL 69 HG22 VAL 69 -7.748 -3.784 -19.245 456 HG23 VAL 69 HG23 VAL 69 -9.264 -3.888 -19.799 457 H ASP 70 H ASP 70 -9.196 -3.263 -23.928 458 HA ASP 70 HA ASP 70 -7.898 -1.069 -25.250 459 HB2 ASP 70 HB2 ASP 70 -8.439 -2.112 -27.344 460 HB3 ASP 70 HB3 ASP 70 -7.601 -3.159 -26.411 461 H HIS 71 H HIS 71 -10.562 -1.680 -23.622 462 HA HIS 71 HA HIS 71 -12.340 -0.434 -25.443 463 HB2 HIS 71 HB2 HIS 71 -13.846 -0.959 -23.292 464 HB3 HIS 71 HB3 HIS 71 -13.714 -1.951 -24.583 465 HD1 HIS 71 HD1 HIS 71 -11.795 -3.885 -24.417 466 HD2 HIS 71 HD2 HIS 71 -13.052 -2.100 -20.955 467 HE1 HIS 71 HE1 HIS 71 -11.202 -5.368 -22.516 468 HE2 HIS 71 HE2 HIS 71 -11.955 -4.316 -20.407 469 H ASN 72 H ASN 72 -10.257 0.751 -23.400 470 HA ASN 72 HA ASN 72 -11.966 2.684 -22.192 471 HB2 ASN 72 HB2 ASN 72 -10.092 3.256 -20.837 472 HB3 ASN 72 HB3 ASN 72 -10.206 1.627 -20.877 473 HD21 ASN 72 HD21 ASN 72 -6.731 3.062 -21.591 474 HD22 ASN 72 HD22 ASN 72 -7.961 3.665 -20.530 475 H ARG 73 H ARG 73 -11.506 2.779 -25.045 476 HA ARG 73 HA ARG 73 -9.707 4.883 -25.468 477 HB2 ARG 73 HB2 ARG 73 -11.605 3.767 -27.362 478 HB3 ARG 73 HB3 ARG 73 -10.341 4.712 -27.783 479 HG2 ARG 73 HG2 ARG 73 -10.070 2.099 -26.630 480 HG3 ARG 73 HG3 ARG 73 -9.931 2.411 -28.227 481 HD2 ARG 73 HD2 ARG 73 -8.003 3.703 -27.843 482 HD3 ARG 73 HD3 ARG 73 -8.171 3.518 -26.229 483 HE ARG 73 HE ARG 73 -7.990 1.007 -27.376 484 HH11 ARG 73 HH11 ARG 73 -5.962 3.797 -26.678 485 HH12 ARG 73 HH12 ARG 73 -4.515 2.849 -26.582 486 HH21 ARG 73 HH21 ARG 73 -6.095 -0.181 -27.230 487 HH22 ARG 73 HH22 ARG 73 -4.591 0.609 -26.893 488 H VAL 74 H VAL 74 -13.033 4.672 -24.882 489 HA VAL 74 HA VAL 74 -13.611 7.221 -25.954 490 HB VAL 74 HB VAL 74 -15.386 5.549 -24.365 491 HG11 VAL 74 HG11 VAL 74 -17.176 6.847 -25.290 492 HG12 VAL 74 HG12 VAL 74 -16.107 7.772 -26.074 493 HG13 VAL 74 HG13 VAL 74 -16.172 7.805 -24.459 494 HG21 VAL 74 HG21 VAL 74 -16.309 4.789 -26.450 495 HG22 VAL 74 HG22 VAL 74 -14.742 4.401 -26.370 496 HG23 VAL 74 HG23 VAL 74 -15.217 5.666 -27.259 497 H VAL 75 H VAL 75 -13.584 5.761 -22.792 498 HA VAL 75 HA VAL 75 -12.843 8.268 -21.650 499 HB VAL 75 HB VAL 75 -14.349 7.848 -19.716 500 HG11 VAL 75 HG11 VAL 75 -16.283 8.792 -20.771 501 HG12 VAL 75 HG12 VAL 75 -15.670 8.433 -22.224 502 HG13 VAL 75 HG13 VAL 75 -14.946 9.539 -21.291 503 HG21 VAL 75 HG21 VAL 75 -16.217 6.388 -20.069 504 HG22 VAL 75 HG22 VAL 75 -14.837 5.547 -20.133 505 HG23 VAL 75 HG23 VAL 75 -15.606 5.944 -21.499 506 HA PRO 76 HA PRO 76 -10.245 5.524 -19.376 507 HB2 PRO 76 HB2 PRO 76 -9.647 6.860 -17.163 508 HB3 PRO 76 HB3 PRO 76 -9.033 7.388 -18.582 509 HG2 PRO 76 HG2 PRO 76 -11.346 8.345 -17.214 510 HG3 PRO 76 HG3 PRO 76 -10.139 9.224 -17.877 511 HD2 PRO 76 HD2 PRO 76 -12.380 8.869 -19.162 512 HD3 PRO 76 HD3 PRO 76 -10.969 8.992 -19.977 513 HA PRO 77 HA PRO 77 -12.876 3.432 -16.761 514 HB2 PRO 77 HB2 PRO 77 -11.309 1.757 -15.403 515 HB3 PRO 77 HB3 PRO 77 -11.529 1.509 -17.003 516 HG2 PRO 77 HG2 PRO 77 -9.343 2.812 -15.717 517 HG3 PRO 77 HG3 PRO 77 -9.285 1.704 -16.916 518 HD2 PRO 77 HD2 PRO 77 -9.057 4.255 -17.438 519 HD3 PRO 77 HD3 PRO 77 -9.748 3.241 -18.515 520 H ASP 78 H ASP 78 -13.992 3.692 -14.973 521 HA ASP 78 HA ASP 78 -12.677 5.200 -12.895 522 HB2 ASP 78 HB2 ASP 78 -14.784 6.180 -12.399 523 HB3 ASP 78 HB3 ASP 78 -14.472 6.385 -13.989 524 H GLY 79 H GLY 79 -12.950 2.261 -13.365 525 HA2 GLY 79 HA2 GLY 79 -13.512 1.330 -10.842 526 HA3 GLY 79 HA3 GLY 79 -14.895 1.222 -11.703 527 H SER 80 H SER 80 -15.195 -0.908 -12.169 528 HA SER 80 HA SER 80 -12.891 -2.367 -12.996 529 HB2 SER 80 HB2 SER 80 -14.339 -4.340 -12.715 530 HB3 SER 80 HB3 SER 80 -14.275 -3.446 -11.350 531 HG SER 80 HG SER 80 -16.205 -2.394 -12.312 532 H VAL 81 H VAL 81 -12.714 -3.641 -14.884 533 HA VAL 81 HA VAL 81 -14.746 -3.218 -16.859 534 HB VAL 81 HB VAL 81 -13.026 -2.905 -18.588 535 HG11 VAL 81 HG11 VAL 81 -12.741 -0.560 -18.163 536 HG12 VAL 81 HG12 VAL 81 -13.209 -0.777 -16.630 537 HG13 VAL 81 HG13 VAL 81 -14.262 -1.000 -17.837 538 HG21 VAL 81 HG21 VAL 81 -10.852 -2.183 -17.883 539 HG22 VAL 81 HG22 VAL 81 -11.130 -3.690 -17.369 540 HG23 VAL 81 HG23 VAL 81 -11.259 -2.449 -16.341 541 H THR 82 H THR 82 -14.618 -4.917 -18.660 542 HA THR 82 HA THR 82 -13.397 -7.254 -17.554 543 HB THR 82 HB THR 82 -15.855 -7.277 -17.219 544 HG1 THR 82 HG1 THR 82 -15.327 -9.272 -17.099 545 HG21 THR 82 HG21 THR 82 -17.265 -7.620 -19.125 546 HG22 THR 82 HG22 THR 82 -15.987 -7.526 -20.110 547 HG23 THR 82 HG23 THR 82 -16.485 -6.216 -19.305 548 H PHE 83 H PHE 83 -13.066 -9.138 -18.962 549 HA PHE 83 HA PHE 83 -12.709 -8.388 -21.732 550 HB2 PHE 83 HB2 PHE 83 -11.130 -10.278 -20.225 551 HB3 PHE 83 HB3 PHE 83 -10.968 -10.055 -21.835 552 HD1 PHE 83 HD1 PHE 83 -9.849 -8.121 -22.721 553 HD2 PHE 83 HD2 PHE 83 -10.247 -8.651 -18.644 554 HE1 PHE 83 HE1 PHE 83 -8.155 -6.479 -22.348 555 HE2 PHE 83 HE2 PHE 83 -8.553 -7.011 -18.261 556 HZ PHE 83 HZ PHE 83 -7.489 -5.936 -20.116 557 H GLY 84 H GLY 84 -13.028 -10.332 -23.270 558 HA2 GLY 84 HA2 GLY 84 -14.694 -12.351 -22.040 559 HA3 GLY 84 HA3 GLY 84 -15.170 -11.621 -23.421 560 H PHE 85 H PHE 85 -14.785 -14.436 -23.015 561 HA PHE 85 HA PHE 85 -13.078 -14.935 -25.198 562 HB2 PHE 85 HB2 PHE 85 -11.627 -16.475 -24.045 563 HB3 PHE 85 HB3 PHE 85 -11.463 -14.964 -23.450 564 HD1 PHE 85 HD1 PHE 85 -12.097 -14.439 -21.189 565 HD2 PHE 85 HD2 PHE 85 -12.720 -18.225 -22.723 566 HE1 PHE 85 HE1 PHE 85 -12.494 -15.265 -18.983 567 HE2 PHE 85 HE2 PHE 85 -13.119 -19.055 -20.520 568 HZ PHE 85 HZ PHE 85 -12.982 -17.581 -18.644 569 H THR 86 H THR 86 -13.014 -17.326 -25.812 570 HA THR 86 HA THR 86 -15.396 -18.625 -24.846 571 HB THR 86 HB THR 86 -15.764 -18.063 -27.141 572 HG1 THR 86 HG1 THR 86 -16.879 -19.790 -27.058 573 HG21 THR 86 HG21 THR 86 -14.390 -19.001 -28.864 574 HG22 THR 86 HG22 THR 86 -13.441 -19.694 -27.754 575 HG23 THR 86 HG23 THR 86 -13.467 -18.084 -27.905 576 H ALA 87 H ALA 87 -15.343 -21.002 -24.760 577 HA ALA 87 HA ALA 87 -12.697 -22.099 -24.649 578 HB1 ALA 87 HB1 ALA 87 -13.097 -21.325 -22.407 579 HB2 ALA 87 HB2 ALA 87 -13.065 -22.942 -22.403 580 HB3 ALA 87 HB3 ALA 87 -14.480 -22.162 -22.350 581 H THR 88 H THR 88 -12.650 -24.478 -24.522 582 HA THR 88 HA THR 88 -15.191 -25.671 -25.178 583 HB THR 88 HB THR 88 -13.780 -27.353 -26.482 584 HG1 THR 88 HG1 THR 88 -11.781 -26.941 -26.543 585 HG21 THR 88 HG21 THR 88 -13.996 -26.029 -28.470 586 HG22 THR 88 HG22 THR 88 -14.190 -24.693 -27.581 587 HG23 THR 88 HG23 THR 88 -15.332 -25.838 -27.579 588 H SER 89 H SER 89 -15.406 -27.977 -24.469 589 HA SER 89 HA SER 89 -13.560 -28.723 -22.452 590 HB2 SER 89 HB2 SER 89 -15.039 -27.267 -21.229 591 HB3 SER 89 HB3 SER 89 -16.325 -28.140 -21.730 592 HG SER 89 HG SER 89 -15.268 -28.478 -19.559 593 H THR 90 H THR 90 -13.695 -30.866 -21.664 594 HA THR 90 HA THR 90 -15.199 -32.580 -23.340 595 HB THR 90 HB THR 90 -13.974 -34.395 -22.191 596 HG1 THR 90 HG1 THR 90 -13.900 -33.242 -20.197 597 HG21 THR 90 HG21 THR 90 -11.780 -33.809 -22.970 598 HG22 THR 90 HG22 THR 90 -12.210 -32.253 -23.065 599 HG23 THR 90 HG23 THR 90 -12.860 -33.335 -24.076 600 H GLY 91 H GLY 91 -15.971 -30.851 -20.821 601 HA2 GLY 91 HA2 GLY 91 -18.094 -31.275 -19.784 602 HA3 GLY 91 HA3 GLY 91 -17.695 -32.852 -19.643 603 H ASN 92 H ASN 92 -14.899 -31.602 -18.977 604 HA ASN 92 HA ASN 92 -15.333 -31.569 -16.163 605 HB2 ASN 92 HB2 ASN 92 -12.900 -31.451 -17.697 606 HB3 ASN 92 HB3 ASN 92 -12.895 -31.324 -16.068 607 HD21 ASN 92 HD21 ASN 92 -12.093 -34.797 -16.803 608 HD22 ASN 92 HD22 ASN 92 -11.359 -33.249 -17.058 609 H ASP 93 H ASP 93 -16.731 -29.656 -16.287 610 HA ASP 93 HA ASP 93 -15.525 -27.259 -17.164 611 HB2 ASP 93 HB2 ASP 93 -18.159 -27.673 -16.004 612 HB3 ASP 93 HB3 ASP 93 -17.700 -26.284 -16.728 613 H PHE 94 H PHE 94 -15.405 -28.899 -14.385 614 HA PHE 94 HA PHE 94 -15.812 -26.872 -12.529 615 HB2 PHE 94 HB2 PHE 94 -14.415 -29.396 -12.217 616 HB3 PHE 94 HB3 PHE 94 -14.805 -28.439 -10.952 617 HD1 PHE 94 HD1 PHE 94 -17.167 -28.168 -10.285 618 HD2 PHE 94 HD2 PHE 94 -16.015 -30.874 -13.189 619 HE1 PHE 94 HE1 PHE 94 -19.295 -29.243 -10.124 620 HE2 PHE 94 HE2 PHE 94 -18.141 -31.952 -13.033 621 HZ PHE 94 HZ PHE 94 -19.790 -31.131 -11.506 622 HA PRO 95 HA PRO 95 -11.857 -25.035 -12.839 623 HB2 PRO 95 HB2 PRO 95 -11.986 -23.202 -10.924 624 HB3 PRO 95 HB3 PRO 95 -12.907 -22.991 -12.257 625 HG2 PRO 95 HG2 PRO 95 -13.693 -24.087 -9.744 626 HG3 PRO 95 HG3 PRO 95 -14.479 -22.968 -10.638 627 HD2 PRO 95 HD2 PRO 95 -15.178 -25.489 -10.720 628 HD3 PRO 95 HD3 PRO 95 -15.355 -24.527 -12.028 629 H VAL 96 H VAL 96 -9.812 -24.881 -11.830 630 HA VAL 96 HA VAL 96 -9.691 -26.487 -9.446 631 HB VAL 96 HB VAL 96 -7.705 -26.536 -11.573 632 HG11 VAL 96 HG11 VAL 96 -6.597 -28.253 -10.322 633 HG12 VAL 96 HG12 VAL 96 -7.678 -28.091 -9.131 634 HG13 VAL 96 HG13 VAL 96 -6.649 -26.888 -9.458 635 HG21 VAL 96 HG21 VAL 96 -8.423 -28.795 -11.967 636 HG22 VAL 96 HG22 VAL 96 -9.663 -27.779 -12.181 637 HG23 VAL 96 HG23 VAL 96 -9.550 -28.642 -10.818 638 H ASP 97 H ASP 97 -7.765 -24.293 -11.381 639 HA ASP 97 HA ASP 97 -6.537 -23.245 -9.040 640 HB2 ASP 97 HB2 ASP 97 -5.872 -23.290 -11.770 641 HB3 ASP 97 HB3 ASP 97 -5.541 -21.843 -11.088 642 H SER 98 H SER 98 -6.304 -20.902 -8.643 643 HA SER 98 HA SER 98 -8.802 -19.680 -8.970 644 HB2 SER 98 HB2 SER 98 -7.770 -17.831 -7.661 645 HB3 SER 98 HB3 SER 98 -7.703 -19.276 -6.904 646 HG SER 98 HG SER 98 -5.720 -18.646 -6.699 647 H ILE 99 H ILE 99 -9.145 -17.443 -9.682 648 HA ILE 99 HA ILE 99 -7.703 -16.911 -12.142 649 HB ILE 99 HB ILE 99 -10.382 -16.489 -11.250 650 HG12 ILE 99 HG12 ILE 99 -10.586 -16.718 -13.793 651 HG13 ILE 99 HG13 ILE 99 -9.135 -17.442 -13.598 652 HG21 ILE 99 HG21 ILE 99 -10.793 -14.663 -12.665 653 HG22 ILE 99 HG22 ILE 99 -9.215 -14.556 -13.003 654 HG23 ILE 99 HG23 ILE 99 -9.743 -14.259 -11.504 655 HD11 ILE 99 HD11 ILE 99 -10.873 -19.073 -13.563 656 HD12 ILE 99 HD12 ILE 99 -11.574 -18.318 -12.317 657 HD13 ILE 99 HD13 ILE 99 -10.137 -19.035 -12.123 658 H GLY 100 H GLY 100 -6.391 -15.039 -12.300 659 HA2 GLY 100 HA2 GLY 100 -6.684 -13.119 -10.201 660 HA3 GLY 100 HA3 GLY 100 -5.265 -13.926 -10.239 661 H CYS 101 H CYS 101 -5.484 -11.140 -10.367 662 HA CYS 101 HA CYS 101 -4.686 -10.642 -13.088 663 HB2 CYS 101 HB2 CYS 101 -5.123 -8.365 -12.671 664 HB3 CYS 101 HB3 CYS 101 -6.447 -9.306 -12.500 665 H VAL 102 H VAL 102 -2.808 -9.363 -13.552 666 HA VAL 102 HA VAL 102 -1.105 -8.874 -11.303 667 HB VAL 102 HB VAL 102 0.852 -9.501 -12.655 668 HG11 VAL 102 HG11 VAL 102 0.602 -11.864 -12.326 669 HG12 VAL 102 HG12 VAL 102 -0.990 -11.671 -12.120 670 HG13 VAL 102 HG13 VAL 102 0.045 -11.064 -11.036 671 HG21 VAL 102 HG21 VAL 102 0.503 -10.839 -14.608 672 HG22 VAL 102 HG22 VAL 102 -0.131 -9.368 -14.824 673 HG23 VAL 102 HG23 VAL 102 -1.094 -10.621 -14.480 674 H ALA 103 H ALA 103 0.424 -7.082 -11.583 675 HA ALA 103 HA ALA 103 -0.164 -5.395 -13.865 676 HB1 ALA 103 HB1 ALA 103 -1.230 -4.415 -11.970 677 HB2 ALA 103 HB2 ALA 103 0.001 -3.468 -12.418 678 HB3 ALA 103 HB3 ALA 103 0.159 -4.449 -11.143 679 HA PRO 104 HA PRO 104 4.254 -5.269 -13.995 680 HB2 PRO 104 HB2 PRO 104 4.745 -3.131 -15.482 681 HB3 PRO 104 HB3 PRO 104 4.087 -4.440 -16.204 682 HG2 PRO 104 HG2 PRO 104 2.748 -2.109 -15.255 683 HG3 PRO 104 HG3 PRO 104 2.551 -2.862 -16.690 684 HD2 PRO 104 HD2 PRO 104 0.893 -3.287 -14.711 685 HD3 PRO 104 HD3 PRO 104 1.219 -4.463 -15.797 Start of MODEL 18 1 H1 HIS 1 H1 HIS 1 1.427 -7.179 -9.839 2 H2 HIS 1 H2 HIS 1 1.289 -5.800 -9.005 3 H3 HIS 1 H3 HIS 1 0.376 -7.076 -8.614 4 HA HIS 1 HA HIS 1 2.287 -8.258 -7.915 5 HB2 HIS 1 HB2 HIS 1 3.729 -6.998 -9.509 6 HB3 HIS 1 HB3 HIS 1 3.815 -5.843 -8.359 7 HD1 HIS 1 HD1 HIS 1 5.101 -9.182 -9.232 8 HD2 HIS 1 HD2 HIS 1 5.514 -6.433 -6.229 9 HE1 HIS 1 HE1 HIS 1 7.061 -9.827 -7.852 10 HE2 HIS 1 HE2 HIS 1 7.337 -8.189 -6.022 11 H THR 2 H THR 2 2.787 -8.343 -5.717 12 HA THR 2 HA THR 2 2.297 -7.801 -3.653 13 HB THR 2 HB THR 2 3.280 -5.387 -3.102 14 HG1 THR 2 HG1 THR 2 4.159 -5.947 -5.654 15 HG21 THR 2 HG21 THR 2 5.476 -6.362 -3.035 16 HG22 THR 2 HG22 THR 2 4.985 -7.575 -3.985 17 HG23 THR 2 HG23 THR 2 4.418 -7.448 -2.476 18 H GLY 3 H GLY 3 -0.016 -7.865 -3.809 19 HA2 GLY 3 HA2 GLY 3 -1.909 -6.749 -2.989 20 HA3 GLY 3 HA3 GLY 3 -1.223 -5.298 -3.289 21 H SER 4 H SER 4 -2.073 -8.181 -5.069 22 HA SER 4 HA SER 4 -2.394 -6.747 -7.432 23 HB2 SER 4 HB2 SER 4 -1.821 -9.255 -7.075 24 HB3 SER 4 HB3 SER 4 -3.432 -9.437 -7.273 25 HG SER 4 HG SER 4 -1.546 -8.763 -9.077 26 H CYS 5 H CYS 5 -4.381 -7.273 -8.896 27 HA CYS 5 HA CYS 5 -6.691 -6.314 -7.630 28 HB2 CYS 5 HB2 CYS 5 -7.657 -6.697 -9.823 29 HB3 CYS 5 HB3 CYS 5 -6.405 -5.649 -9.768 30 H MET 6 H MET 6 -8.882 -7.449 -8.202 31 HA MET 6 HA MET 6 -8.607 -10.324 -7.908 32 HB2 MET 6 HB2 MET 6 -9.534 -9.358 -5.931 33 HB3 MET 6 HB3 MET 6 -10.769 -8.768 -6.822 34 HG2 MET 6 HG2 MET 6 -11.431 -10.924 -7.341 35 HG3 MET 6 HG3 MET 6 -10.190 -11.521 -6.463 36 HE1 MET 6 HE1 MET 6 -13.204 -12.512 -4.247 37 HE2 MET 6 HE2 MET 6 -11.878 -13.075 -4.982 38 HE3 MET 6 HE3 MET 6 -13.128 -12.545 -5.862 39 H ALA 7 H ALA 7 -9.914 -11.595 -9.295 40 HA ALA 7 HA ALA 7 -11.228 -10.063 -11.351 41 HB1 ALA 7 HB1 ALA 7 -9.475 -11.449 -12.167 42 HB2 ALA 7 HB2 ALA 7 -10.884 -11.968 -12.768 43 HB3 ALA 7 HB3 ALA 7 -10.192 -12.754 -11.536 44 H VAL 8 H VAL 8 -13.304 -10.569 -12.084 45 HA VAL 8 HA VAL 8 -14.814 -12.381 -10.419 46 HB VAL 8 HB VAL 8 -15.856 -10.094 -11.880 47 HG11 VAL 8 HG11 VAL 8 -17.941 -10.544 -10.798 48 HG12 VAL 8 HG12 VAL 8 -17.305 -11.858 -10.103 49 HG13 VAL 8 HG13 VAL 8 -17.507 -11.809 -11.707 50 HG21 VAL 8 HG21 VAL 8 -16.195 -9.075 -9.739 51 HG22 VAL 8 HG22 VAL 8 -14.622 -9.380 -9.960 52 HG23 VAL 8 HG23 VAL 8 -15.508 -10.349 -9.017 53 H TYR 9 H TYR 9 -15.578 -14.204 -11.448 54 HA TYR 9 HA TYR 9 -15.325 -14.204 -14.326 55 HB2 TYR 9 HB2 TYR 9 -13.763 -15.707 -13.563 56 HB3 TYR 9 HB3 TYR 9 -14.760 -16.264 -12.395 57 HD1 TYR 9 HD1 TYR 9 -15.973 -18.244 -12.721 58 HD2 TYR 9 HD2 TYR 9 -14.319 -16.337 -15.994 59 HE1 TYR 9 HE1 TYR 9 -16.599 -20.080 -14.103 60 HE2 TYR 9 HE2 TYR 9 -14.948 -18.182 -17.383 61 HH TYR 9 HH TYR 9 -16.269 -21.125 -16.078 62 H SER 10 H SER 10 -17.122 -14.455 -15.522 63 HA SER 10 HA SER 10 -19.311 -15.815 -14.270 64 HB2 SER 10 HB2 SER 10 -19.572 -13.434 -15.938 65 HB3 SER 10 HB3 SER 10 -20.851 -14.250 -15.333 66 HG SER 10 HG SER 10 -19.805 -12.303 -14.227 67 H VAL 11 H VAL 11 -20.664 -17.149 -15.572 68 HA VAL 11 HA VAL 11 -19.574 -17.755 -18.139 69 HB VAL 11 HB VAL 11 -21.758 -19.076 -16.764 70 HG11 VAL 11 HG11 VAL 11 -21.559 -20.807 -18.411 71 HG12 VAL 11 HG12 VAL 11 -20.425 -19.950 -19.182 72 HG13 VAL 11 HG13 VAL 11 -21.948 -19.408 -19.124 73 HG21 VAL 11 HG21 VAL 11 -20.161 -20.823 -16.308 74 HG22 VAL 11 HG22 VAL 11 -19.655 -19.435 -15.652 75 HG23 VAL 11 HG23 VAL 11 -19.003 -19.960 -17.036 76 H GLU 12 H GLU 12 -20.312 -16.764 -19.982 77 HA GLU 12 HA GLU 12 -22.527 -15.061 -19.883 78 HB2 GLU 12 HB2 GLU 12 -20.726 -14.639 -21.374 79 HB3 GLU 12 HB3 GLU 12 -21.030 -16.036 -22.163 80 HG2 GLU 12 HG2 GLU 12 -21.911 -14.505 -23.559 81 HG3 GLU 12 HG3 GLU 12 -23.225 -14.991 -22.720 82 H ASN 13 H ASN 13 -21.900 -18.061 -21.502 83 HA ASN 13 HA ASN 13 -24.534 -19.009 -21.103 84 HB2 ASN 13 HB2 ASN 13 -24.878 -17.721 -23.098 85 HB3 ASN 13 HB3 ASN 13 -23.735 -18.612 -23.850 86 HD21 ASN 13 HD21 ASN 13 -26.227 -20.622 -25.151 87 HD22 ASN 13 HD22 ASN 13 -24.974 -19.475 -25.490 88 H SER 14 H SER 14 -24.662 -21.351 -21.534 89 HA SER 14 HA SER 14 -22.115 -22.518 -22.178 90 HB2 SER 14 HB2 SER 14 -22.495 -24.139 -20.313 91 HB3 SER 14 HB3 SER 14 -22.158 -22.623 -19.807 92 HG SER 14 HG SER 14 -24.765 -23.121 -20.223 93 H TRP 15 H TRP 15 -22.133 -24.707 -22.950 94 HA TRP 15 HA TRP 15 -24.680 -25.806 -23.613 95 HB2 TRP 15 HB2 TRP 15 -24.104 -25.975 -25.970 96 HB3 TRP 15 HB3 TRP 15 -24.408 -24.445 -25.485 97 HD1 TRP 15 HD1 TRP 15 -21.587 -26.558 -26.630 98 HE1 TRP 15 HE1 TRP 15 -19.576 -25.206 -27.305 99 HE3 TRP 15 HE3 TRP 15 -23.253 -22.131 -25.044 100 HZ2 TRP 15 HZ2 TRP 15 -18.893 -22.490 -27.106 101 HZ3 TRP 15 HZ3 TRP 15 -21.867 -20.196 -25.336 102 HH2 TRP 15 HH2 TRP 15 -19.713 -20.377 -26.371 103 H SER 16 H SER 16 -24.184 -27.955 -25.003 104 HA SER 16 HA SER 16 -22.577 -29.496 -23.389 105 HB2 SER 16 HB2 SER 16 -22.832 -31.174 -25.258 106 HB3 SER 16 HB3 SER 16 -24.220 -30.652 -24.572 107 HG SER 16 HG SER 16 -23.108 -29.753 -26.925 108 H GLY 17 H GLY 17 -20.441 -29.599 -23.177 109 HA2 GLY 17 HA2 GLY 17 -18.356 -29.986 -23.973 110 HA3 GLY 17 HA3 GLY 17 -18.884 -29.852 -25.513 111 H GLY 18 H GLY 18 -19.726 -27.118 -23.719 112 HA2 GLY 18 HA2 GLY 18 -17.349 -25.760 -23.710 113 HA3 GLY 18 HA3 GLY 18 -18.016 -25.498 -25.178 114 H PHE 19 H PHE 19 -17.516 -23.274 -23.886 115 HA PHE 19 HA PHE 19 -20.076 -22.261 -23.403 116 HB2 PHE 19 HB2 PHE 19 -19.677 -21.497 -21.131 117 HB3 PHE 19 HB3 PHE 19 -19.730 -23.126 -21.225 118 HD1 PHE 19 HD1 PHE 19 -17.703 -24.461 -20.916 119 HD2 PHE 19 HD2 PHE 19 -17.637 -20.346 -20.525 120 HE1 PHE 19 HE1 PHE 19 -15.587 -24.605 -19.827 121 HE2 PHE 19 HE2 PHE 19 -15.527 -20.479 -19.423 122 HZ PHE 19 HZ PHE 19 -14.502 -22.614 -19.051 123 H GLN 20 H GLN 20 -20.093 -19.884 -22.882 124 HA GLN 20 HA GLN 20 -17.645 -18.618 -23.763 125 HB2 GLN 20 HB2 GLN 20 -20.248 -18.142 -24.528 126 HB3 GLN 20 HB3 GLN 20 -19.605 -16.780 -23.897 127 HG2 GLN 20 HG2 GLN 20 -17.971 -16.699 -25.498 128 HG3 GLN 20 HG3 GLN 20 -18.279 -18.228 -25.984 129 HE21 GLN 20 HE21 GLN 20 -20.294 -17.236 -28.584 130 HE22 GLN 20 HE22 GLN 20 -19.098 -18.331 -27.977 131 H GLY 21 H GLY 21 -16.836 -16.805 -22.534 132 HA2 GLY 21 HA2 GLY 21 -18.070 -16.616 -19.924 133 HA3 GLY 21 HA3 GLY 21 -16.461 -16.858 -20.068 134 H SER 22 H SER 22 -18.259 -14.672 -18.987 135 HA SER 22 HA SER 22 -16.911 -12.455 -20.269 136 HB2 SER 22 HB2 SER 22 -18.633 -11.068 -19.223 137 HB3 SER 22 HB3 SER 22 -19.256 -12.123 -20.302 138 HG SER 22 HG SER 22 -20.494 -12.688 -18.773 139 H VAL 23 H VAL 23 -15.384 -11.324 -19.058 140 HA VAL 23 HA VAL 23 -15.236 -12.074 -16.303 141 HB VAL 23 HB VAL 23 -12.708 -12.039 -16.649 142 HG11 VAL 23 HG11 VAL 23 -12.725 -14.402 -17.102 143 HG12 VAL 23 HG12 VAL 23 -14.268 -14.301 -17.575 144 HG13 VAL 23 HG13 VAL 23 -13.877 -14.037 -16.028 145 HG21 VAL 23 HG21 VAL 23 -12.009 -12.746 -18.822 146 HG22 VAL 23 HG22 VAL 23 -12.713 -11.294 -18.911 147 HG23 VAL 23 HG23 VAL 23 -13.528 -12.617 -19.360 148 H GLU 24 H GLU 24 -14.684 -10.544 -14.807 149 HA GLU 24 HA GLU 24 -14.162 -7.904 -15.881 150 HB2 GLU 24 HB2 GLU 24 -16.488 -8.215 -15.212 151 HB3 GLU 24 HB3 GLU 24 -15.960 -8.426 -13.681 152 HG2 GLU 24 HG2 GLU 24 -15.135 -6.207 -13.667 153 HG3 GLU 24 HG3 GLU 24 -15.689 -5.998 -15.189 154 H VAL 25 H VAL 25 -12.732 -6.572 -14.766 155 HA VAL 25 HA VAL 25 -11.556 -7.805 -12.463 156 HB VAL 25 HB VAL 25 -10.036 -6.556 -14.626 157 HG11 VAL 25 HG11 VAL 25 -8.055 -7.127 -13.416 158 HG12 VAL 25 HG12 VAL 25 -8.954 -7.699 -12.200 159 HG13 VAL 25 HG13 VAL 25 -8.963 -6.118 -12.539 160 HG21 VAL 25 HG21 VAL 25 -9.125 -8.725 -15.033 161 HG22 VAL 25 HG22 VAL 25 -10.732 -8.762 -15.206 162 HG23 VAL 25 HG23 VAL 25 -10.051 -9.343 -13.860 163 H MET 26 H MET 26 -11.354 -6.561 -10.675 164 HA MET 26 HA MET 26 -12.112 -3.850 -10.895 165 HB2 MET 26 HB2 MET 26 -12.022 -3.801 -8.550 166 HB3 MET 26 HB3 MET 26 -12.703 -5.220 -8.986 167 HG2 MET 26 HG2 MET 26 -10.656 -6.279 -8.670 168 HG3 MET 26 HG3 MET 26 -10.008 -4.858 -8.192 169 HE1 MET 26 HE1 MET 26 -11.659 -4.121 -4.808 170 HE2 MET 26 HE2 MET 26 -11.999 -3.503 -6.263 171 HE3 MET 26 HE3 MET 26 -10.460 -3.694 -5.805 172 H ASN 27 H ASN 27 -10.842 -1.953 -10.516 173 HA ASN 27 HA ASN 27 -8.066 -2.408 -10.861 174 HB2 ASN 27 HB2 ASN 27 -9.116 -0.588 -12.032 175 HB3 ASN 27 HB3 ASN 27 -9.352 0.162 -10.601 176 HD21 ASN 27 HD21 ASN 27 -6.447 1.902 -11.645 177 HD22 ASN 27 HD22 ASN 27 -8.177 1.950 -11.716 178 H HIS 28 H HIS 28 -7.041 -3.158 -9.023 179 HA HIS 28 HA HIS 28 -7.736 -2.099 -6.514 180 HB2 HIS 28 HB2 HIS 28 -6.904 -4.355 -6.757 181 HB3 HIS 28 HB3 HIS 28 -5.446 -3.755 -7.182 182 HD1 HIS 28 HD1 HIS 28 -7.596 -4.377 -4.260 183 HD2 HIS 28 HD2 HIS 28 -3.874 -2.875 -5.038 184 HE1 HIS 28 HE1 HIS 28 -6.394 -4.118 -2.096 185 HE2 HIS 28 HE2 HIS 28 -4.131 -3.217 -2.545 186 H GLY 29 H GLY 29 -5.542 -1.243 -8.935 187 HA2 GLY 29 HA2 GLY 29 -3.896 0.364 -7.267 188 HA3 GLY 29 HA3 GLY 29 -3.837 0.289 -8.898 189 H THR 30 H THR 30 -3.670 2.714 -7.463 190 HA THR 30 HA THR 30 -6.226 3.911 -7.912 191 HB THR 30 HB THR 30 -5.187 5.886 -6.800 192 HG1 THR 30 HG1 THR 30 -3.218 4.929 -5.608 193 HG21 THR 30 HG21 THR 30 -5.230 4.881 -4.608 194 HG22 THR 30 HG22 THR 30 -5.107 3.408 -5.264 195 HG23 THR 30 HG23 THR 30 -6.457 4.275 -5.469 196 H GLU 31 H GLU 31 -3.420 3.348 -9.441 197 HA GLU 31 HA GLU 31 -3.679 5.608 -11.210 198 HB2 GLU 31 HB2 GLU 31 -1.234 4.148 -10.656 199 HB3 GLU 31 HB3 GLU 31 -1.326 5.501 -11.566 200 HG2 GLU 31 HG2 GLU 31 -1.973 6.699 -9.582 201 HG3 GLU 31 HG3 GLU 31 -1.654 5.346 -8.725 202 HA PRO 32 HA PRO 32 -4.100 2.564 -14.339 203 HB2 PRO 32 HB2 PRO 32 -3.557 3.917 -16.560 204 HB3 PRO 32 HB3 PRO 32 -4.968 4.201 -15.788 205 HG2 PRO 32 HG2 PRO 32 -2.558 5.710 -15.645 206 HG3 PRO 32 HG3 PRO 32 -4.085 6.269 -15.797 207 HD2 PRO 32 HD2 PRO 32 -2.881 6.245 -13.471 208 HD3 PRO 32 HD3 PRO 32 -4.501 6.070 -13.580 209 H LEU 33 H LEU 33 -2.881 0.917 -15.038 210 HA LEU 33 HA LEU 33 -0.078 1.535 -15.060 211 HB2 LEU 33 HB2 LEU 33 -1.338 -0.931 -14.207 212 HB3 LEU 33 HB3 LEU 33 0.284 -0.761 -14.302 213 HG LEU 33 HG LEU 33 -1.394 0.701 -12.486 214 HD11 LEU 33 HD11 LEU 33 -0.400 -0.677 -10.771 215 HD12 LEU 33 HD12 LEU 33 0.412 -1.496 -11.904 216 HD13 LEU 33 HD13 LEU 33 -1.200 -1.600 -11.831 217 HD21 LEU 33 HD21 LEU 33 0.634 1.473 -11.473 218 HD22 LEU 33 HD22 LEU 33 0.558 1.962 -13.012 219 HD23 LEU 33 HD23 LEU 33 1.496 0.709 -12.607 220 H ASN 34 H ASN 34 1.116 1.188 -16.847 221 HA ASN 34 HA ASN 34 0.013 -0.170 -19.034 222 HB2 ASN 34 HB2 ASN 34 1.630 1.521 -19.401 223 HB3 ASN 34 HB3 ASN 34 2.752 0.647 -18.598 224 HD21 ASN 34 HD21 ASN 34 3.970 -0.552 -21.592 225 HD22 ASN 34 HD22 ASN 34 4.300 0.344 -20.146 226 H GLY 35 H GLY 35 0.235 -2.317 -19.703 227 HA2 GLY 35 HA2 GLY 35 1.213 -4.401 -19.590 228 HA3 GLY 35 HA3 GLY 35 2.120 -3.947 -18.310 229 H TRP 36 H TRP 36 -0.959 -3.020 -17.725 230 HA TRP 36 HA TRP 36 -1.560 -4.878 -15.780 231 HB2 TRP 36 HB2 TRP 36 -2.691 -2.759 -16.035 232 HB3 TRP 36 HB3 TRP 36 -3.485 -3.371 -17.324 233 HD1 TRP 36 HD1 TRP 36 -5.354 -5.252 -16.793 234 HE1 TRP 36 HE1 TRP 36 -6.813 -5.715 -14.805 235 HE3 TRP 36 HE3 TRP 36 -2.736 -2.613 -13.470 236 HZ2 TRP 36 HZ2 TRP 36 -6.781 -4.889 -12.117 237 HZ3 TRP 36 HZ3 TRP 36 -3.527 -2.469 -11.211 238 HH2 TRP 36 HH2 TRP 36 -5.531 -3.604 -10.547 239 H ALA 37 H ALA 37 -2.508 -6.935 -15.787 240 HA ALA 37 HA ALA 37 -3.347 -7.910 -18.328 241 HB1 ALA 37 HB1 ALA 37 -0.959 -8.316 -18.300 242 HB2 ALA 37 HB2 ALA 37 -1.743 -9.731 -18.307 243 HB3 ALA 37 HB3 ALA 37 -1.118 -9.160 -16.929 244 H VAL 38 H VAL 38 -4.370 -10.002 -18.389 245 HA VAL 38 HA VAL 38 -5.343 -10.832 -15.792 246 HB VAL 38 HB VAL 38 -6.952 -10.843 -18.205 247 HG11 VAL 38 HG11 VAL 38 -8.782 -11.373 -16.770 248 HG12 VAL 38 HG12 VAL 38 -7.785 -11.406 -15.498 249 HG13 VAL 38 HG13 VAL 38 -7.644 -12.517 -16.665 250 HG21 VAL 38 HG21 VAL 38 -8.145 -8.982 -17.264 251 HG22 VAL 38 HG22 VAL 38 -6.595 -8.581 -17.494 252 HG23 VAL 38 HG23 VAL 38 -7.122 -8.954 -16.012 253 H GLN 39 H GLN 39 -4.921 -13.015 -15.348 254 HA GLN 39 HA GLN 39 -4.436 -14.630 -17.624 255 HB2 GLN 39 HB2 GLN 39 -2.485 -15.315 -15.783 256 HB3 GLN 39 HB3 GLN 39 -2.249 -14.804 -17.316 257 HG2 GLN 39 HG2 GLN 39 -2.261 -12.554 -16.533 258 HG3 GLN 39 HG3 GLN 39 -2.402 -13.111 -15.004 259 HE21 GLN 39 HE21 GLN 39 1.177 -12.765 -16.654 260 HE22 GLN 39 HE22 GLN 39 -0.277 -12.054 -17.271 261 H TRP 40 H TRP 40 -4.472 -16.930 -17.406 262 HA TRP 40 HA TRP 40 -4.985 -18.065 -14.875 263 HB2 TRP 40 HB2 TRP 40 -7.161 -18.913 -15.351 264 HB3 TRP 40 HB3 TRP 40 -7.188 -17.280 -15.372 265 HD1 TRP 40 HD1 TRP 40 -7.722 -20.163 -17.600 266 HE1 TRP 40 HE1 TRP 40 -8.589 -19.514 -19.862 267 HE3 TRP 40 HE3 TRP 40 -7.209 -15.217 -17.086 268 HZ2 TRP 40 HZ2 TRP 40 -8.894 -17.069 -21.219 269 HZ3 TRP 40 HZ3 TRP 40 -7.795 -13.796 -18.922 270 HH2 TRP 40 HH2 TRP 40 -8.606 -14.721 -20.973 271 H GLN 41 H GLN 41 -5.548 -20.543 -15.253 272 HA GLN 41 HA GLN 41 -4.598 -21.416 -17.853 273 HB2 GLN 41 HB2 GLN 41 -2.951 -21.934 -16.196 274 HB3 GLN 41 HB3 GLN 41 -4.067 -22.812 -15.389 275 HG2 GLN 41 HG2 GLN 41 -4.215 -24.231 -17.353 276 HG3 GLN 41 HG3 GLN 41 -2.905 -23.445 -17.930 277 HE21 GLN 41 HE21 GLN 41 -2.417 -26.540 -15.549 278 HE22 GLN 41 HE22 GLN 41 -3.872 -26.131 -16.396 279 HA PRO 42 HA PRO 42 -8.580 -23.237 -17.563 280 HB2 PRO 42 HB2 PRO 42 -8.606 -24.895 -19.652 281 HB3 PRO 42 HB3 PRO 42 -8.759 -23.289 -19.905 282 HG2 PRO 42 HG2 PRO 42 -6.405 -24.876 -20.110 283 HG3 PRO 42 HG3 PRO 42 -6.946 -23.742 -21.154 284 HD2 PRO 42 HD2 PRO 42 -5.080 -23.161 -19.443 285 HD3 PRO 42 HD3 PRO 42 -6.179 -22.032 -19.873 286 H GLY 43 H GLY 43 -9.649 -25.112 -16.859 287 HA2 GLY 43 HA2 GLY 43 -8.002 -26.751 -15.320 288 HA3 GLY 43 HA3 GLY 43 -9.596 -26.987 -15.588 289 H GLY 44 H GLY 44 -7.907 -29.165 -15.376 290 HA2 GLY 44 HA2 GLY 44 -6.963 -30.025 -17.836 291 HA3 GLY 44 HA3 GLY 44 -7.314 -30.995 -16.569 292 H GLY 45 H GLY 45 -7.824 -31.048 -19.578 293 HA2 GLY 45 HA2 GLY 45 -9.481 -32.161 -20.686 294 HA3 GLY 45 HA3 GLY 45 -10.455 -32.091 -19.377 295 H THR 46 H THR 46 -9.522 -29.059 -19.648 296 HA THR 46 HA THR 46 -11.469 -28.387 -21.652 297 HB THR 46 HB THR 46 -11.358 -26.153 -20.178 298 HG1 THR 46 HG1 THR 46 -11.798 -27.477 -18.054 299 HG21 THR 46 HG21 THR 46 -13.515 -26.805 -19.315 300 HG22 THR 46 HG22 THR 46 -13.230 -28.342 -19.726 301 HG23 THR 46 HG23 THR 46 -13.438 -27.223 -20.875 302 H THR 47 H THR 47 -11.047 -26.450 -22.994 303 HA THR 47 HA THR 47 -8.451 -25.328 -22.723 304 HB THR 47 HB THR 47 -8.078 -27.209 -24.228 305 HG1 THR 47 HG1 THR 47 -6.602 -26.151 -25.190 306 HG21 THR 47 HG21 THR 47 -8.991 -27.111 -26.446 307 HG22 THR 47 HG22 THR 47 -9.802 -25.763 -26.070 308 HG23 THR 47 HG23 THR 47 -10.210 -27.170 -25.385 309 H LEU 48 H LEU 48 -8.094 -23.434 -24.313 310 HA LEU 48 HA LEU 48 -10.557 -22.007 -24.318 311 HB2 LEU 48 HB2 LEU 48 -7.859 -21.048 -24.750 312 HB3 LEU 48 HB3 LEU 48 -9.155 -20.055 -24.721 313 HG LEU 48 HG LEU 48 -8.330 -21.573 -22.416 314 HD11 LEU 48 HD11 LEU 48 -7.329 -19.535 -21.625 315 HD12 LEU 48 HD12 LEU 48 -7.703 -18.805 -23.019 316 HD13 LEU 48 HD13 LEU 48 -6.610 -19.997 -22.998 317 HD21 LEU 48 HD21 LEU 48 -9.765 -20.108 -21.210 318 HD22 LEU 48 HD22 LEU 48 -10.610 -20.903 -22.337 319 HD23 LEU 48 HD23 LEU 48 -10.179 -19.364 -22.585 320 H GLY 49 H GLY 49 -11.222 -20.605 -26.122 321 HA2 GLY 49 HA2 GLY 49 -10.285 -21.617 -28.669 322 HA3 GLY 49 HA3 GLY 49 -11.769 -20.979 -28.425 323 H GLY 50 H GLY 50 -12.143 -18.798 -28.610 324 HA2 GLY 50 HA2 GLY 50 -9.801 -17.219 -29.235 325 HA3 GLY 50 HA3 GLY 50 -11.285 -16.941 -29.857 326 H VAL 51 H VAL 51 -9.933 -14.867 -28.792 327 HA VAL 51 HA VAL 51 -11.323 -14.349 -26.308 328 HB VAL 51 HB VAL 51 -8.692 -13.330 -26.984 329 HG11 VAL 51 HG11 VAL 51 -8.626 -12.415 -24.774 330 HG12 VAL 51 HG12 VAL 51 -10.137 -12.928 -24.512 331 HG13 VAL 51 HG13 VAL 51 -9.854 -11.773 -25.607 332 HG21 VAL 51 HG21 VAL 51 -7.850 -14.750 -25.235 333 HG22 VAL 51 HG22 VAL 51 -8.553 -15.644 -26.384 334 HG23 VAL 51 HG23 VAL 51 -9.334 -15.346 -25.001 335 H TRP 52 H TRP 52 -12.446 -12.327 -26.206 336 HA TRP 52 HA TRP 52 -12.066 -10.669 -28.526 337 HB2 TRP 52 HB2 TRP 52 -14.402 -9.953 -28.228 338 HB3 TRP 52 HB3 TRP 52 -14.187 -11.469 -28.797 339 HD1 TRP 52 HD1 TRP 52 -15.051 -13.461 -27.287 340 HE1 TRP 52 HE1 TRP 52 -16.596 -13.655 -25.316 341 HE3 TRP 52 HE3 TRP 52 -15.063 -8.634 -26.016 342 HZ2 TRP 52 HZ2 TRP 52 -17.689 -11.808 -23.498 343 HZ3 TRP 52 HZ3 TRP 52 -16.362 -7.931 -24.133 344 HH2 TRP 52 HH2 TRP 52 -17.665 -9.514 -22.891 345 H ASN 53 H ASN 53 -12.266 -8.371 -28.329 346 HA ASN 53 HA ASN 53 -11.586 -6.538 -27.355 347 HB2 ASN 53 HB2 ASN 53 -13.179 -7.502 -25.139 348 HB3 ASN 53 HB3 ASN 53 -12.561 -5.990 -25.139 349 HD21 ASN 53 HD21 ASN 53 -15.951 -5.504 -26.246 350 HD22 ASN 53 HD22 ASN 53 -15.112 -5.920 -24.788 351 H GLY 54 H GLY 54 -9.511 -8.156 -27.411 352 HA2 GLY 54 HA2 GLY 54 -7.875 -7.040 -25.489 353 HA3 GLY 54 HA3 GLY 54 -8.228 -8.565 -25.022 354 H SER 55 H SER 55 -5.622 -7.838 -25.455 355 HA SER 55 HA SER 55 -4.993 -9.244 -27.903 356 HB2 SER 55 HB2 SER 55 -4.008 -7.054 -27.826 357 HB3 SER 55 HB3 SER 55 -3.240 -7.451 -26.440 358 HG SER 55 HG SER 55 -1.771 -8.459 -27.473 359 H LEU 56 H LEU 56 -4.157 -11.307 -27.690 360 HA LEU 56 HA LEU 56 -3.627 -12.090 -24.992 361 HB2 LEU 56 HB2 LEU 56 -4.041 -14.338 -25.756 362 HB3 LEU 56 HB3 LEU 56 -5.317 -13.349 -26.001 363 HG LEU 56 HG LEU 56 -3.903 -13.330 -28.308 364 HD11 LEU 56 HD11 LEU 56 -3.827 -15.662 -28.874 365 HD12 LEU 56 HD12 LEU 56 -4.307 -16.047 -27.379 366 HD13 LEU 56 HD13 LEU 56 -2.856 -15.374 -27.613 367 HD21 LEU 56 HD21 LEU 56 -5.914 -14.267 -29.214 368 HD22 LEU 56 HD22 LEU 56 -6.281 -13.088 -28.170 369 HD23 LEU 56 HD23 LEU 56 -6.422 -14.636 -27.723 370 H THR 57 H THR 57 -1.771 -12.974 -24.233 371 HA THR 57 HA THR 57 0.216 -13.711 -26.137 372 HB THR 57 HB THR 57 1.972 -12.549 -24.846 373 HG1 THR 57 HG1 THR 57 0.654 -10.787 -23.569 374 HG21 THR 57 HG21 THR 57 1.477 -10.331 -25.621 375 HG22 THR 57 HG22 THR 57 -0.075 -10.733 -25.832 376 HG23 THR 57 HG23 THR 57 1.065 -11.384 -26.777 377 H SER 58 H SER 58 2.131 -14.918 -24.902 378 HA SER 58 HA SER 58 1.094 -16.536 -22.835 379 HB2 SER 58 HB2 SER 58 2.841 -17.355 -24.289 380 HB3 SER 58 HB3 SER 58 3.880 -16.303 -23.594 381 HG SER 58 HG SER 58 3.332 -17.367 -21.586 382 H GLY 59 H GLY 59 1.713 -16.516 -20.565 383 HA2 GLY 59 HA2 GLY 59 2.668 -13.919 -19.710 384 HA3 GLY 59 HA3 GLY 59 1.695 -14.884 -18.821 385 H SER 60 H SER 60 4.163 -13.749 -17.924 386 HA SER 60 HA SER 60 6.191 -15.622 -18.257 387 HB2 SER 60 HB2 SER 60 6.070 -13.480 -16.272 388 HB3 SER 60 HB3 SER 60 7.451 -14.213 -16.746 389 HG SER 60 HG SER 60 6.774 -13.457 -18.911 390 H ASP 61 H ASP 61 3.605 -15.523 -16.165 391 HA ASP 61 HA ASP 61 4.815 -17.094 -14.139 392 HB2 ASP 61 HB2 ASP 61 2.192 -15.961 -14.478 393 HB3 ASP 61 HB3 ASP 61 2.397 -17.107 -13.332 394 H GLY 62 H GLY 62 4.239 -17.973 -17.038 395 HA2 GLY 62 HA2 GLY 62 4.038 -20.090 -17.862 396 HA3 GLY 62 HA3 GLY 62 3.718 -20.672 -16.370 397 H THR 63 H THR 63 1.910 -18.055 -17.496 398 HA THR 63 HA THR 63 -0.388 -19.766 -17.716 399 HB THR 63 HB THR 63 -1.671 -17.692 -17.074 400 HG1 THR 63 HG1 THR 63 0.906 -16.743 -16.831 401 HG21 THR 63 HG21 THR 63 -1.080 -17.769 -14.753 402 HG22 THR 63 HG22 THR 63 0.304 -18.525 -15.112 403 HG23 THR 63 HG23 THR 63 -1.110 -19.281 -15.326 404 H VAL 64 H VAL 64 -2.247 -18.809 -19.139 405 HA VAL 64 HA VAL 64 -1.114 -17.375 -21.367 406 HB VAL 64 HB VAL 64 -3.244 -17.793 -22.490 407 HG11 VAL 64 HG11 VAL 64 -2.779 -20.093 -22.964 408 HG12 VAL 64 HG12 VAL 64 -1.810 -20.170 -21.672 409 HG13 VAL 64 HG13 VAL 64 -1.401 -19.248 -22.935 410 HG21 VAL 64 HG21 VAL 64 -4.726 -19.411 -21.539 411 HG22 VAL 64 HG22 VAL 64 -4.622 -18.121 -20.569 412 HG23 VAL 64 HG23 VAL 64 -3.813 -19.474 -20.206 413 H THR 65 H THR 65 -1.814 -15.217 -21.863 414 HA THR 65 HA THR 65 -3.527 -14.133 -19.899 415 HB THR 65 HB THR 65 -1.257 -13.805 -19.026 416 HG1 THR 65 HG1 THR 65 -2.204 -11.308 -19.665 417 HG21 THR 65 HG21 THR 65 0.232 -12.303 -20.134 418 HG22 THR 65 HG22 THR 65 -0.833 -12.106 -21.335 419 HG23 THR 65 HG23 THR 65 -0.104 -13.534 -21.126 420 H VAL 66 H VAL 66 -4.567 -12.175 -20.242 421 HA VAL 66 HA VAL 66 -4.400 -11.172 -22.955 422 HB VAL 66 HB VAL 66 -6.661 -10.930 -21.163 423 HG11 VAL 66 HG11 VAL 66 -7.842 -10.062 -23.047 424 HG12 VAL 66 HG12 VAL 66 -6.498 -10.153 -23.942 425 HG13 VAL 66 HG13 VAL 66 -6.576 -9.115 -22.705 426 HG21 VAL 66 HG21 VAL 66 -7.740 -12.534 -22.585 427 HG22 VAL 66 HG22 VAL 66 -6.418 -13.189 -21.925 428 HG23 VAL 66 HG23 VAL 66 -6.387 -12.678 -23.459 429 H ARG 67 H ARG 67 -3.585 -9.071 -23.173 430 HA ARG 67 HA ARG 67 -3.471 -7.477 -20.834 431 HB2 ARG 67 HB2 ARG 67 -1.070 -7.292 -20.880 432 HB3 ARG 67 HB3 ARG 67 -1.506 -8.851 -20.668 433 HG2 ARG 67 HG2 ARG 67 -1.077 -9.288 -22.948 434 HG3 ARG 67 HG3 ARG 67 -0.659 -7.725 -23.173 435 HD2 ARG 67 HD2 ARG 67 0.744 -9.481 -21.368 436 HD3 ARG 67 HD3 ARG 67 1.260 -9.161 -22.884 437 HE ARG 67 HE ARG 67 0.963 -6.734 -21.682 438 HH11 ARG 67 HH11 ARG 67 2.663 -5.622 -20.738 439 HH12 ARG 67 HH12 ARG 67 4.105 -6.460 -20.268 440 HH21 ARG 67 HH21 ARG 67 2.987 -9.589 -21.307 441 HH22 ARG 67 HH22 ARG 67 4.287 -8.698 -20.589 442 H ASN 68 H ASN 68 -2.398 -5.316 -21.152 443 HA ASN 68 HA ASN 68 -2.303 -3.439 -22.299 444 HB2 ASN 68 HB2 ASN 68 -1.337 -5.163 -24.413 445 HB3 ASN 68 HB3 ASN 68 -1.299 -3.537 -24.564 446 HD21 ASN 68 HD21 ASN 68 1.896 -3.424 -23.319 447 HD22 ASN 68 HD22 ASN 68 0.795 -2.985 -24.582 448 H VAL 69 H VAL 69 -4.850 -4.567 -22.192 449 HA VAL 69 HA VAL 69 -6.077 -4.584 -24.636 450 HB VAL 69 HB VAL 69 -7.441 -4.004 -22.129 451 HG11 VAL 69 HG11 VAL 69 -9.391 -4.888 -23.213 452 HG12 VAL 69 HG12 VAL 69 -8.540 -5.120 -24.568 453 HG13 VAL 69 HG13 VAL 69 -8.833 -3.618 -24.045 454 HG21 VAL 69 HG21 VAL 69 -7.816 -6.341 -21.914 455 HG22 VAL 69 HG22 VAL 69 -6.229 -6.033 -21.913 456 HG23 VAL 69 HG23 VAL 69 -6.938 -6.613 -23.245 457 H ASP 70 H ASP 70 -6.986 -2.967 -25.921 458 HA ASP 70 HA ASP 70 -6.180 -0.398 -25.357 459 HB2 ASP 70 HB2 ASP 70 -7.235 0.156 -27.468 460 HB3 ASP 70 HB3 ASP 70 -6.445 -1.265 -27.624 461 H HIS 71 H HIS 71 -9.000 -1.971 -24.494 462 HA HIS 71 HA HIS 71 -10.745 0.135 -24.667 463 HB2 HIS 71 HB2 HIS 71 -12.268 -1.192 -23.406 464 HB3 HIS 71 HB3 HIS 71 -11.440 -2.190 -24.400 465 HD1 HIS 71 HD1 HIS 71 -12.693 -3.677 -22.247 466 HD2 HIS 71 HD2 HIS 71 -9.061 -1.853 -21.757 467 HE1 HIS 71 HE1 HIS 71 -11.515 -4.773 -20.351 468 HE2 HIS 71 HE2 HIS 71 -9.329 -3.663 -20.010 469 H ASN 72 H ASN 72 -8.227 -0.055 -22.644 470 HA ASN 72 HA ASN 72 -9.511 1.356 -20.541 471 HB2 ASN 72 HB2 ASN 72 -7.540 1.027 -19.279 472 HB3 ASN 72 HB3 ASN 72 -7.862 -0.380 -20.044 473 HD21 ASN 72 HD21 ASN 72 -4.259 0.272 -20.345 474 HD22 ASN 72 HD22 ASN 72 -5.369 0.087 -19.029 475 H ARG 73 H ARG 73 -8.163 2.265 -23.357 476 HA ARG 73 HA ARG 73 -7.185 4.738 -22.331 477 HB2 ARG 73 HB2 ARG 73 -6.263 5.152 -24.382 478 HB3 ARG 73 HB3 ARG 73 -6.147 3.529 -24.249 479 HG2 ARG 73 HG2 ARG 73 -8.145 3.351 -25.584 480 HG3 ARG 73 HG3 ARG 73 -8.063 4.963 -25.829 481 HD2 ARG 73 HD2 ARG 73 -7.103 3.825 -27.669 482 HD3 ARG 73 HD3 ARG 73 -5.948 4.682 -26.894 483 HE ARG 73 HE ARG 73 -5.815 2.242 -25.754 484 HH11 ARG 73 HH11 ARG 73 -4.393 0.641 -26.393 485 HH12 ARG 73 HH12 ARG 73 -3.781 0.606 -28.013 486 HH21 ARG 73 HH21 ARG 73 -5.480 3.461 -29.037 487 HH22 ARG 73 HH22 ARG 73 -4.394 2.195 -29.503 488 H VAL 74 H VAL 74 -10.073 3.502 -23.258 489 HA VAL 74 HA VAL 74 -11.068 5.737 -24.629 490 HB VAL 74 HB VAL 74 -12.582 3.464 -23.626 491 HG11 VAL 74 HG11 VAL 74 -14.239 4.017 -25.272 492 HG12 VAL 74 HG12 VAL 74 -13.374 5.310 -25.714 493 HG13 VAL 74 HG13 VAL 74 -14.045 5.249 -24.243 494 HG21 VAL 74 HG21 VAL 74 -12.332 2.498 -25.825 495 HG22 VAL 74 HG22 VAL 74 -10.879 2.714 -25.149 496 HG23 VAL 74 HG23 VAL 74 -11.411 3.750 -26.271 497 H VAL 75 H VAL 75 -11.381 4.407 -21.460 498 HA VAL 75 HA VAL 75 -12.562 6.875 -20.585 499 HB VAL 75 HB VAL 75 -13.822 5.614 -18.896 500 HG11 VAL 75 HG11 VAL 75 -15.550 4.883 -20.399 501 HG12 VAL 75 HG12 VAL 75 -14.514 4.969 -21.637 502 HG13 VAL 75 HG13 VAL 75 -14.975 6.318 -20.872 503 HG21 VAL 75 HG21 VAL 75 -14.077 3.247 -19.189 504 HG22 VAL 75 HG22 VAL 75 -12.530 3.603 -18.882 505 HG23 VAL 75 HG23 VAL 75 -13.000 3.275 -20.394 506 HA PRO 76 HA PRO 76 -9.330 6.707 -17.598 507 HB2 PRO 76 HB2 PRO 76 -10.195 8.271 -15.652 508 HB3 PRO 76 HB3 PRO 76 -9.832 8.954 -17.091 509 HG2 PRO 76 HG2 PRO 76 -12.397 8.188 -16.117 510 HG3 PRO 76 HG3 PRO 76 -11.975 9.595 -16.831 511 HD2 PRO 76 HD2 PRO 76 -13.129 7.696 -18.210 512 HD3 PRO 76 HD3 PRO 76 -12.041 8.690 -18.915 513 HA PRO 77 HA PRO 77 -10.354 3.660 -14.798 514 HB2 PRO 77 HB2 PRO 77 -8.428 3.744 -12.946 515 HB3 PRO 77 HB3 PRO 77 -8.028 3.314 -14.470 516 HG2 PRO 77 HG2 PRO 77 -7.777 5.884 -13.254 517 HG3 PRO 77 HG3 PRO 77 -6.676 5.098 -14.169 518 HD2 PRO 77 HD2 PRO 77 -8.200 6.959 -15.198 519 HD3 PRO 77 HD3 PRO 77 -7.681 5.703 -16.105 520 H ASP 78 H ASP 78 -12.347 4.188 -14.134 521 HA ASP 78 HA ASP 78 -12.421 5.537 -11.597 522 HB2 ASP 78 HB2 ASP 78 -14.649 6.206 -12.108 523 HB3 ASP 78 HB3 ASP 78 -13.680 6.624 -13.355 524 H GLY 79 H GLY 79 -12.511 2.552 -12.818 525 HA2 GLY 79 HA2 GLY 79 -13.663 1.347 -10.601 526 HA3 GLY 79 HA3 GLY 79 -14.774 1.412 -11.795 527 H SER 80 H SER 80 -15.047 -0.628 -12.494 528 HA SER 80 HA SER 80 -12.710 -2.246 -12.821 529 HB2 SER 80 HB2 SER 80 -14.514 -4.032 -13.124 530 HB3 SER 80 HB3 SER 80 -14.352 -3.415 -11.621 531 HG SER 80 HG SER 80 -15.951 -1.809 -12.544 532 H VAL 81 H VAL 81 -12.508 -3.720 -14.708 533 HA VAL 81 HA VAL 81 -13.751 -2.603 -17.034 534 HB VAL 81 HB VAL 81 -11.681 -2.993 -18.295 535 HG11 VAL 81 HG11 VAL 81 -10.554 -1.021 -17.502 536 HG12 VAL 81 HG12 VAL 81 -11.428 -1.067 -16.142 537 HG13 VAL 81 HG13 VAL 81 -12.150 -0.764 -17.556 538 HG21 VAL 81 HG21 VAL 81 -9.636 -3.317 -17.084 539 HG22 VAL 81 HG22 VAL 81 -10.629 -4.570 -16.842 540 HG23 VAL 81 HG23 VAL 81 -10.467 -3.435 -15.702 541 H THR 82 H THR 82 -14.067 -4.127 -18.868 542 HA THR 82 HA THR 82 -13.854 -6.831 -17.992 543 HB THR 82 HB THR 82 -16.164 -6.135 -17.546 544 HG1 THR 82 HG1 THR 82 -17.216 -7.784 -18.786 545 HG21 THR 82 HG21 THR 82 -17.599 -5.585 -19.389 546 HG22 THR 82 HG22 THR 82 -16.367 -5.751 -20.422 547 HG23 THR 82 HG23 THR 82 -16.373 -4.532 -19.361 548 H PHE 83 H PHE 83 -14.041 -8.525 -19.549 549 HA PHE 83 HA PHE 83 -14.028 -7.932 -22.334 550 HB2 PHE 83 HB2 PHE 83 -11.926 -8.593 -22.889 551 HB3 PHE 83 HB3 PHE 83 -11.730 -7.495 -21.696 552 HD1 PHE 83 HD1 PHE 83 -10.971 -10.720 -22.720 553 HD2 PHE 83 HD2 PHE 83 -11.292 -8.355 -19.342 554 HE1 PHE 83 HE1 PHE 83 -9.652 -12.291 -21.499 555 HE2 PHE 83 HE2 PHE 83 -9.984 -9.931 -18.115 556 HZ PHE 83 HZ PHE 83 -9.138 -11.890 -19.199 557 H GLY 84 H GLY 84 -13.405 -10.367 -23.398 558 HA2 GLY 84 HA2 GLY 84 -14.032 -12.421 -21.565 559 HA3 GLY 84 HA3 GLY 84 -15.248 -12.129 -22.615 560 H PHE 85 H PHE 85 -14.695 -14.555 -22.767 561 HA PHE 85 HA PHE 85 -13.231 -14.943 -25.157 562 HB2 PHE 85 HB2 PHE 85 -11.719 -16.581 -24.191 563 HB3 PHE 85 HB3 PHE 85 -11.414 -15.062 -23.674 564 HD1 PHE 85 HD1 PHE 85 -11.655 -14.461 -21.368 565 HD2 PHE 85 HD2 PHE 85 -12.722 -18.236 -22.674 566 HE1 PHE 85 HE1 PHE 85 -11.793 -15.204 -19.103 567 HE2 PHE 85 HE2 PHE 85 -12.877 -18.977 -20.412 568 HZ PHE 85 HZ PHE 85 -12.419 -17.461 -18.621 569 H THR 86 H THR 86 -13.207 -17.411 -25.737 570 HA THR 86 HA THR 86 -15.503 -18.670 -24.535 571 HB THR 86 HB THR 86 -16.082 -18.101 -26.785 572 HG1 THR 86 HG1 THR 86 -17.237 -19.787 -26.659 573 HG21 THR 86 HG21 THR 86 -14.927 -19.098 -28.639 574 HG22 THR 86 HG22 THR 86 -13.882 -19.805 -27.627 575 HG23 THR 86 HG23 THR 86 -13.882 -18.197 -27.795 576 H ALA 87 H ALA 87 -15.468 -21.015 -24.332 577 HA ALA 87 HA ALA 87 -12.851 -22.165 -24.572 578 HB1 ALA 87 HB1 ALA 87 -12.973 -21.432 -22.298 579 HB2 ALA 87 HB2 ALA 87 -12.969 -23.049 -22.326 580 HB3 ALA 87 HB3 ALA 87 -14.354 -22.248 -22.091 581 H THR 88 H THR 88 -12.834 -24.547 -24.494 582 HA THR 88 HA THR 88 -15.397 -25.733 -24.827 583 HB THR 88 HB THR 88 -14.756 -25.262 -27.101 584 HG1 THR 88 HG1 THR 88 -15.997 -26.968 -27.120 585 HG21 THR 88 HG21 THR 88 -12.830 -26.325 -28.050 586 HG22 THR 88 HG22 THR 88 -12.461 -26.973 -26.615 587 HG23 THR 88 HG23 THR 88 -12.353 -25.374 -26.832 588 H SER 89 H SER 89 -15.045 -28.233 -25.255 589 HA SER 89 HA SER 89 -13.341 -29.021 -23.092 590 HB2 SER 89 HB2 SER 89 -15.687 -29.472 -22.691 591 HB3 SER 89 HB3 SER 89 -15.751 -30.368 -24.055 592 HG SER 89 HG SER 89 -14.792 -31.010 -21.630 593 H THR 90 H THR 90 -11.995 -30.800 -23.160 594 HA THR 90 HA THR 90 -11.936 -32.270 -25.637 595 HB THR 90 HB THR 90 -10.003 -30.877 -25.719 596 HG1 THR 90 HG1 THR 90 -9.197 -33.443 -25.111 597 HG21 THR 90 HG21 THR 90 -8.321 -30.990 -24.022 598 HG22 THR 90 HG22 THR 90 -9.218 -32.036 -23.175 599 HG23 THR 90 HG23 THR 90 -9.707 -30.504 -23.346 600 H GLY 91 H GLY 91 -13.087 -32.512 -22.874 601 HA2 GLY 91 HA2 GLY 91 -13.043 -35.152 -22.501 602 HA3 GLY 91 HA3 GLY 91 -11.703 -34.669 -21.702 603 H ASN 92 H ASN 92 -12.583 -32.250 -20.631 604 HA ASN 92 HA ASN 92 -14.445 -33.241 -18.671 605 HB2 ASN 92 HB2 ASN 92 -12.342 -32.492 -17.800 606 HB3 ASN 92 HB3 ASN 92 -12.614 -31.009 -18.428 607 HD21 ASN 92 HD21 ASN 92 -13.452 -30.342 -15.057 608 HD22 ASN 92 HD22 ASN 92 -12.114 -30.367 -16.156 609 H ASP 93 H ASP 93 -16.508 -32.518 -18.643 610 HA ASP 93 HA ASP 93 -17.024 -30.225 -20.258 611 HB2 ASP 93 HB2 ASP 93 -19.305 -31.067 -20.410 612 HB3 ASP 93 HB3 ASP 93 -18.234 -32.201 -20.893 613 H PHE 94 H PHE 94 -16.483 -30.664 -17.198 614 HA PHE 94 HA PHE 94 -18.467 -28.758 -16.349 615 HB2 PHE 94 HB2 PHE 94 -16.987 -30.677 -14.752 616 HB3 PHE 94 HB3 PHE 94 -18.009 -29.588 -14.092 617 HD1 PHE 94 HD1 PHE 94 -20.461 -29.720 -14.735 618 HD2 PHE 94 HD2 PHE 94 -17.772 -32.763 -15.481 619 HE1 PHE 94 HE1 PHE 94 -22.280 -31.240 -15.046 620 HE2 PHE 94 HE2 PHE 94 -19.582 -34.294 -15.779 621 HZ PHE 94 HZ PHE 94 -21.845 -33.535 -15.567 622 HA PRO 95 HA PRO 95 -15.302 -25.903 -15.544 623 HB2 PRO 95 HB2 PRO 95 -16.406 -24.204 -13.841 624 HB3 PRO 95 HB3 PRO 95 -17.027 -24.294 -15.348 625 HG2 PRO 95 HG2 PRO 95 -17.975 -25.581 -12.987 626 HG3 PRO 95 HG3 PRO 95 -18.847 -24.762 -14.099 627 HD2 PRO 95 HD2 PRO 95 -18.704 -27.380 -14.154 628 HD3 PRO 95 HD3 PRO 95 -18.888 -26.520 -15.530 629 H VAL 96 H VAL 96 -13.867 -24.869 -13.929 630 HA VAL 96 HA VAL 96 -13.591 -26.710 -11.766 631 HB VAL 96 HB VAL 96 -11.343 -25.631 -13.300 632 HG11 VAL 96 HG11 VAL 96 -9.917 -27.049 -11.994 633 HG12 VAL 96 HG12 VAL 96 -11.186 -27.529 -11.115 634 HG13 VAL 96 HG13 VAL 96 -10.675 -25.997 -11.029 635 HG21 VAL 96 HG21 VAL 96 -11.029 -27.866 -14.113 636 HG22 VAL 96 HG22 VAL 96 -12.500 -27.334 -14.523 637 HG23 VAL 96 HG23 VAL 96 -12.326 -28.357 -13.283 638 H ASP 97 H ASP 97 -12.224 -23.622 -12.751 639 HA ASP 97 HA ASP 97 -12.807 -22.530 -10.197 640 HB2 ASP 97 HB2 ASP 97 -10.552 -23.671 -10.129 641 HB3 ASP 97 HB3 ASP 97 -10.036 -22.380 -10.985 642 H SER 98 H SER 98 -11.955 -20.175 -10.034 643 HA SER 98 HA SER 98 -12.795 -18.889 -12.408 644 HB2 SER 98 HB2 SER 98 -12.118 -17.758 -9.801 645 HB3 SER 98 HB3 SER 98 -12.793 -16.882 -11.002 646 HG SER 98 HG SER 98 -14.593 -18.233 -10.912 647 H ILE 99 H ILE 99 -11.701 -16.784 -13.103 648 HA ILE 99 HA ILE 99 -9.000 -17.448 -13.593 649 HB ILE 99 HB ILE 99 -9.057 -15.591 -15.179 650 HG12 ILE 99 HG12 ILE 99 -11.777 -15.056 -15.020 651 HG13 ILE 99 HG13 ILE 99 -11.029 -14.664 -13.622 652 HG21 ILE 99 HG21 ILE 99 -10.703 -16.515 -16.686 653 HG22 ILE 99 HG22 ILE 99 -11.353 -17.353 -15.466 654 HG23 ILE 99 HG23 ILE 99 -9.865 -17.709 -15.989 655 HD11 ILE 99 HD11 ILE 99 -11.095 -12.790 -15.067 656 HD12 ILE 99 HD12 ILE 99 -10.301 -13.621 -16.204 657 HD13 ILE 99 HD13 ILE 99 -9.560 -13.233 -14.820 658 H GLY 100 H GLY 100 -7.224 -15.759 -13.485 659 HA2 GLY 100 HA2 GLY 100 -7.657 -14.014 -11.211 660 HA3 GLY 100 HA3 GLY 100 -6.248 -14.800 -11.467 661 H CYS 101 H CYS 101 -5.793 -12.263 -11.081 662 HA CYS 101 HA CYS 101 -5.145 -11.314 -13.697 663 HB2 CYS 101 HB2 CYS 101 -6.042 -9.209 -13.369 664 HB3 CYS 101 HB3 CYS 101 -7.215 -10.340 -13.259 665 H VAL 102 H VAL 102 -3.491 -9.645 -13.760 666 HA VAL 102 HA VAL 102 -2.121 -9.380 -11.279 667 HB VAL 102 HB VAL 102 0.038 -9.916 -12.282 668 HG11 VAL 102 HG11 VAL 102 -0.252 -12.284 -12.487 669 HG12 VAL 102 HG12 VAL 102 -1.853 -12.084 -12.595 670 HG13 VAL 102 HG13 VAL 102 -1.086 -11.732 -11.216 671 HG21 VAL 102 HG21 VAL 102 0.134 -10.828 -14.488 672 HG22 VAL 102 HG22 VAL 102 -0.443 -9.319 -14.535 673 HG23 VAL 102 HG23 VAL 102 -1.452 -10.574 -14.667 674 H ALA 103 H ALA 103 -0.360 -7.762 -11.256 675 HA ALA 103 HA ALA 103 -0.546 -5.767 -13.361 676 HB1 ALA 103 HB1 ALA 103 -1.715 -4.841 -11.529 677 HB2 ALA 103 HB2 ALA 103 -0.315 -4.048 -11.690 678 HB3 ALA 103 HB3 ALA 103 -0.482 -5.167 -10.535 679 HA PRO 104 HA PRO 104 3.855 -6.260 -12.964 680 HB2 PRO 104 HB2 PRO 104 4.835 -3.810 -13.427 681 HB3 PRO 104 HB3 PRO 104 4.298 -4.709 -14.679 682 HG2 PRO 104 HG2 PRO 104 2.884 -2.678 -13.257 683 HG3 PRO 104 HG3 PRO 104 3.004 -2.866 -14.875 684 HD2 PRO 104 HD2 PRO 104 0.889 -3.710 -13.655 685 HD3 PRO 104 HD3 PRO 104 1.490 -4.574 -14.903 Start of MODEL 19 1 H1 HIS 1 H1 HIS 1 -7.101 -0.115 -2.274 2 H2 HIS 1 H2 HIS 1 -6.152 -1.420 -2.165 3 H3 HIS 1 H3 HIS 1 -6.542 -0.823 -3.616 4 HA HIS 1 HA HIS 1 -5.320 1.112 -3.188 5 HB2 HIS 1 HB2 HIS 1 -5.578 1.188 -0.809 6 HB3 HIS 1 HB3 HIS 1 -4.624 -0.128 -0.655 7 HD1 HIS 1 HD1 HIS 1 -4.480 3.523 -1.102 8 HD2 HIS 1 HD2 HIS 1 -1.875 0.376 -0.859 9 HE1 HIS 1 HE1 HIS 1 -2.176 4.438 -0.893 10 HE2 HIS 1 HE2 HIS 1 -0.576 2.547 -0.744 11 H THR 2 H THR 2 -4.460 -2.190 -2.555 12 HA THR 2 HA THR 2 -2.172 -1.823 -4.254 13 HB THR 2 HB THR 2 -1.360 -1.839 -1.961 14 HG1 THR 2 HG1 THR 2 0.254 -3.358 -2.298 15 HG21 THR 2 HG21 THR 2 -1.475 -3.878 -0.722 16 HG22 THR 2 HG22 THR 2 -2.330 -4.571 -1.907 17 HG23 THR 2 HG23 THR 2 -2.980 -3.375 -1.034 18 H GLY 3 H GLY 3 -1.212 -4.107 -4.844 19 HA2 GLY 3 HA2 GLY 3 -1.725 -6.298 -5.400 20 HA3 GLY 3 HA3 GLY 3 -3.310 -6.042 -5.101 21 H SER 4 H SER 4 -2.252 -3.501 -6.755 22 HA SER 4 HA SER 4 -2.361 -2.811 -8.817 23 HB2 SER 4 HB2 SER 4 -0.920 -4.704 -9.426 24 HB3 SER 4 HB3 SER 4 -2.263 -5.517 -9.880 25 HG SER 4 HG SER 4 -1.752 -4.688 -11.718 26 H CYS 5 H CYS 5 -4.294 -5.730 -8.928 27 HA CYS 5 HA CYS 5 -6.590 -4.176 -9.623 28 HB2 CYS 5 HB2 CYS 5 -6.845 -6.145 -11.305 29 HB3 CYS 5 HB3 CYS 5 -6.433 -4.613 -11.695 30 H MET 6 H MET 6 -8.587 -5.720 -9.876 31 HA MET 6 HA MET 6 -8.313 -8.179 -8.390 32 HB2 MET 6 HB2 MET 6 -8.980 -6.748 -6.689 33 HB3 MET 6 HB3 MET 6 -10.209 -6.178 -7.601 34 HG2 MET 6 HG2 MET 6 -11.237 -8.262 -7.536 35 HG3 MET 6 HG3 MET 6 -10.001 -8.851 -6.645 36 HE1 MET 6 HE1 MET 6 -10.433 -7.467 -3.189 37 HE2 MET 6 HE2 MET 6 -9.292 -7.249 -4.314 38 HE3 MET 6 HE3 MET 6 -9.895 -8.725 -4.050 39 H ALA 7 H ALA 7 -9.387 -9.766 -9.565 40 HA ALA 7 HA ALA 7 -11.059 -8.797 -11.709 41 HB1 ALA 7 HB1 ALA 7 -9.101 -9.987 -12.446 42 HB2 ALA 7 HB2 ALA 7 -10.419 -10.824 -12.869 43 HB3 ALA 7 HB3 ALA 7 -9.549 -11.280 -11.584 44 H VAL 8 H VAL 8 -13.067 -9.612 -12.132 45 HA VAL 8 HA VAL 8 -14.111 -11.563 -10.262 46 HB VAL 8 HB VAL 8 -15.562 -9.324 -11.401 47 HG11 VAL 8 HG11 VAL 8 -17.495 -10.133 -10.256 48 HG12 VAL 8 HG12 VAL 8 -16.671 -11.440 -9.778 49 HG13 VAL 8 HG13 VAL 8 -16.997 -11.219 -11.346 50 HG21 VAL 8 HG21 VAL 8 -15.849 -8.599 -9.122 51 HG22 VAL 8 HG22 VAL 8 -14.273 -8.688 -9.474 52 HG23 VAL 8 HG23 VAL 8 -14.975 -9.857 -8.605 53 H TYR 9 H TYR 9 -14.958 -13.402 -11.303 54 HA TYR 9 HA TYR 9 -15.304 -13.185 -14.150 55 HB2 TYR 9 HB2 TYR 9 -13.322 -14.394 -13.869 56 HB3 TYR 9 HB3 TYR 9 -13.982 -15.304 -12.684 57 HD1 TYR 9 HD1 TYR 9 -15.066 -17.389 -13.207 58 HD2 TYR 9 HD2 TYR 9 -13.992 -14.793 -16.237 59 HE1 TYR 9 HE1 TYR 9 -15.672 -19.043 -14.831 60 HE2 TYR 9 HE2 TYR 9 -14.595 -16.433 -17.849 61 HH TYR 9 HH TYR 9 -15.633 -19.656 -16.994 62 H SER 10 H SER 10 -17.029 -14.122 -15.123 63 HA SER 10 HA SER 10 -18.507 -16.056 -13.595 64 HB2 SER 10 HB2 SER 10 -19.761 -13.841 -14.997 65 HB3 SER 10 HB3 SER 10 -20.607 -15.080 -14.352 66 HG SER 10 HG SER 10 -19.808 -12.916 -13.178 67 H VAL 11 H VAL 11 -19.483 -17.762 -14.739 68 HA VAL 11 HA VAL 11 -18.497 -18.176 -17.344 69 HB VAL 11 HB VAL 11 -20.484 -19.763 -15.988 70 HG11 VAL 11 HG11 VAL 11 -19.922 -21.496 -17.546 71 HG12 VAL 11 HG12 VAL 11 -18.902 -20.492 -18.300 72 HG13 VAL 11 HG13 VAL 11 -20.493 -20.205 -18.334 73 HG21 VAL 11 HG21 VAL 11 -18.663 -21.230 -15.405 74 HG22 VAL 11 HG22 VAL 11 -18.419 -19.765 -14.765 75 HG23 VAL 11 HG23 VAL 11 -17.618 -20.208 -16.098 76 H GLU 12 H GLU 12 -19.367 -17.252 -19.172 77 HA GLU 12 HA GLU 12 -21.682 -15.733 -18.978 78 HB2 GLU 12 HB2 GLU 12 -20.102 -15.084 -20.549 79 HB3 GLU 12 HB3 GLU 12 -20.110 -16.558 -21.253 80 HG2 GLU 12 HG2 GLU 12 -22.150 -16.154 -22.237 81 HG3 GLU 12 HG3 GLU 12 -22.350 -14.781 -21.376 82 H ASN 13 H ASN 13 -21.000 -18.680 -20.659 83 HA ASN 13 HA ASN 13 -23.522 -19.769 -20.038 84 HB2 ASN 13 HB2 ASN 13 -24.008 -18.492 -22.053 85 HB3 ASN 13 HB3 ASN 13 -23.028 -19.522 -22.856 86 HD21 ASN 13 HD21 ASN 13 -25.607 -21.691 -23.568 87 HD22 ASN 13 HD22 ASN 13 -24.182 -20.872 -24.115 88 H SER 14 H SER 14 -23.593 -22.111 -20.475 89 HA SER 14 HA SER 14 -21.206 -23.205 -21.643 90 HB2 SER 14 HB2 SER 14 -20.843 -23.301 -19.248 91 HB3 SER 14 HB3 SER 14 -22.188 -24.218 -19.104 92 HG SER 14 HG SER 14 -21.252 -25.877 -20.084 93 H TRP 15 H TRP 15 -21.562 -25.077 -22.882 94 HA TRP 15 HA TRP 15 -24.033 -26.406 -22.717 95 HB2 TRP 15 HB2 TRP 15 -24.856 -25.807 -24.890 96 HB3 TRP 15 HB3 TRP 15 -24.802 -24.512 -23.897 97 HD1 TRP 15 HD1 TRP 15 -21.491 -25.134 -25.233 98 HE1 TRP 15 HE1 TRP 15 -20.820 -23.583 -27.082 99 HE3 TRP 15 HE3 TRP 15 -25.985 -23.106 -26.013 100 HZ2 TRP 15 HZ2 TRP 15 -22.190 -21.690 -28.650 101 HZ3 TRP 15 HZ3 TRP 15 -26.222 -21.423 -27.705 102 HH2 TRP 15 HH2 TRP 15 -24.326 -20.697 -28.977 103 H SER 16 H SER 16 -24.304 -27.989 -24.727 104 HA SER 16 HA SER 16 -22.020 -29.494 -25.035 105 HB2 SER 16 HB2 SER 16 -23.385 -30.052 -27.254 106 HB3 SER 16 HB3 SER 16 -23.717 -30.743 -25.812 107 HG SER 16 HG SER 16 -24.827 -28.315 -26.241 108 H GLY 17 H GLY 17 -20.135 -29.133 -26.081 109 HA2 GLY 17 HA2 GLY 17 -19.175 -28.506 -28.206 110 HA3 GLY 17 HA3 GLY 17 -20.201 -27.237 -28.267 111 H GLY 18 H GLY 18 -19.720 -26.684 -25.324 112 HA2 GLY 18 HA2 GLY 18 -17.273 -26.237 -24.555 113 HA3 GLY 18 HA3 GLY 18 -17.345 -25.141 -25.764 114 H PHE 19 H PHE 19 -16.857 -23.586 -23.953 115 HA PHE 19 HA PHE 19 -19.377 -22.575 -23.066 116 HB2 PHE 19 HB2 PHE 19 -18.793 -22.360 -20.826 117 HB3 PHE 19 HB3 PHE 19 -18.499 -23.913 -21.239 118 HD1 PHE 19 HD1 PHE 19 -16.198 -24.747 -21.379 119 HD2 PHE 19 HD2 PHE 19 -16.992 -20.860 -20.257 120 HE1 PHE 19 HE1 PHE 19 -13.972 -24.544 -20.539 121 HE2 PHE 19 HE2 PHE 19 -14.772 -20.628 -19.440 122 HZ PHE 19 HZ PHE 19 -13.259 -22.492 -19.513 123 H GLN 20 H GLN 20 -19.190 -20.336 -22.099 124 HA GLN 20 HA GLN 20 -16.887 -18.976 -23.153 125 HB2 GLN 20 HB2 GLN 20 -19.576 -18.454 -23.728 126 HB3 GLN 20 HB3 GLN 20 -18.774 -17.110 -23.261 127 HG2 GLN 20 HG2 GLN 20 -17.379 -17.193 -25.019 128 HG3 GLN 20 HG3 GLN 20 -17.717 -18.762 -25.319 129 HE21 GLN 20 HE21 GLN 20 -20.552 -16.076 -26.463 130 HE22 GLN 20 HE22 GLN 20 -19.719 -15.910 -24.954 131 H GLY 21 H GLY 21 -16.298 -16.919 -22.050 132 HA2 GLY 21 HA2 GLY 21 -17.263 -16.857 -19.330 133 HA3 GLY 21 HA3 GLY 21 -15.661 -17.034 -19.593 134 H SER 22 H SER 22 -17.209 -14.913 -18.254 135 HA SER 22 HA SER 22 -16.210 -12.694 -19.802 136 HB2 SER 22 HB2 SER 22 -18.097 -11.389 -18.979 137 HB3 SER 22 HB3 SER 22 -18.607 -12.653 -19.878 138 HG SER 22 HG SER 22 -19.828 -12.929 -18.218 139 H VAL 23 H VAL 23 -15.022 -11.114 -18.676 140 HA VAL 23 HA VAL 23 -14.854 -11.498 -15.859 141 HB VAL 23 HB VAL 23 -13.060 -12.783 -16.198 142 HG11 VAL 23 HG11 VAL 23 -11.616 -12.644 -18.114 143 HG12 VAL 23 HG12 VAL 23 -12.417 -11.334 -18.621 144 HG13 VAL 23 HG13 VAL 23 -13.159 -12.769 -18.580 145 HG21 VAL 23 HG21 VAL 23 -11.008 -11.560 -15.952 146 HG22 VAL 23 HG22 VAL 23 -12.147 -10.948 -14.981 147 HG23 VAL 23 HG23 VAL 23 -11.772 -10.195 -16.362 148 H GLU 24 H GLU 24 -14.860 -9.694 -14.717 149 HA GLU 24 HA GLU 24 -14.221 -7.233 -16.050 150 HB2 GLU 24 HB2 GLU 24 -16.365 -7.409 -14.938 151 HB3 GLU 24 HB3 GLU 24 -15.571 -7.549 -13.517 152 HG2 GLU 24 HG2 GLU 24 -14.642 -5.359 -13.925 153 HG3 GLU 24 HG3 GLU 24 -15.658 -5.231 -15.197 154 H VAL 25 H VAL 25 -12.582 -5.839 -15.275 155 HA VAL 25 HA VAL 25 -11.135 -6.827 -12.996 156 HB VAL 25 HB VAL 25 -9.860 -5.661 -15.321 157 HG11 VAL 25 HG11 VAL 25 -7.787 -6.297 -14.272 158 HG12 VAL 25 HG12 VAL 25 -8.602 -6.855 -12.992 159 HG13 VAL 25 HG13 VAL 25 -8.595 -5.272 -13.317 160 HG21 VAL 25 HG21 VAL 25 -9.042 -7.869 -15.804 161 HG22 VAL 25 HG22 VAL 25 -10.659 -7.858 -15.841 162 HG23 VAL 25 HG23 VAL 25 -9.884 -8.458 -14.555 163 H MET 26 H MET 26 -11.402 -5.402 -11.354 164 HA MET 26 HA MET 26 -11.874 -2.679 -12.003 165 HB2 MET 26 HB2 MET 26 -12.485 -2.373 -9.780 166 HB3 MET 26 HB3 MET 26 -13.094 -3.822 -10.221 167 HG2 MET 26 HG2 MET 26 -11.306 -4.889 -9.210 168 HG3 MET 26 HG3 MET 26 -10.682 -3.443 -8.780 169 HE1 MET 26 HE1 MET 26 -13.136 -2.114 -6.080 170 HE2 MET 26 HE2 MET 26 -13.064 -1.727 -7.648 171 HE3 MET 26 HE3 MET 26 -11.703 -1.852 -6.783 172 H ASN 27 H ASN 27 -10.595 -0.843 -11.303 173 HA ASN 27 HA ASN 27 -7.871 -1.431 -10.965 174 HB2 ASN 27 HB2 ASN 27 -8.608 0.576 -12.069 175 HB3 ASN 27 HB3 ASN 27 -9.090 1.153 -10.619 176 HD21 ASN 27 HD21 ASN 27 -5.806 2.640 -11.307 177 HD22 ASN 27 HD22 ASN 27 -7.394 2.726 -11.992 178 H HIS 28 H HIS 28 -7.438 -2.558 -9.134 179 HA HIS 28 HA HIS 28 -8.653 -1.734 -6.690 180 HB2 HIS 28 HB2 HIS 28 -8.436 -4.096 -7.413 181 HB3 HIS 28 HB3 HIS 28 -6.860 -3.971 -7.001 182 HD1 HIS 28 HD1 HIS 28 -10.207 -3.536 -5.342 183 HD2 HIS 28 HD2 HIS 28 -6.397 -4.748 -4.457 184 HE1 HIS 28 HE1 HIS 28 -10.153 -4.268 -2.969 185 HE2 HIS 28 HE2 HIS 28 -7.865 -5.043 -2.424 186 H GLY 29 H GLY 29 -5.910 -1.136 -8.388 187 HA2 GLY 29 HA2 GLY 29 -4.137 -0.737 -6.229 188 HA3 GLY 29 HA3 GLY 29 -3.885 -0.301 -7.783 189 H THR 30 H THR 30 -2.907 1.531 -6.345 190 HA THR 30 HA THR 30 -4.978 3.520 -5.952 191 HB THR 30 HB THR 30 -3.769 2.991 -3.922 192 HG1 THR 30 HG1 THR 30 -3.801 5.518 -4.936 193 HG21 THR 30 HG21 THR 30 -1.481 3.672 -3.716 194 HG22 THR 30 HG22 THR 30 -1.459 4.127 -5.267 195 HG23 THR 30 HG23 THR 30 -1.593 2.561 -4.886 196 H GLU 31 H GLU 31 -3.212 2.566 -8.264 197 HA GLU 31 HA GLU 31 -2.135 5.135 -9.012 198 HB2 GLU 31 HB2 GLU 31 -0.894 2.593 -9.621 199 HB3 GLU 31 HB3 GLU 31 -0.253 4.057 -9.955 200 HG2 GLU 31 HG2 GLU 31 -0.096 4.433 -7.582 201 HG3 GLU 31 HG3 GLU 31 -0.524 2.871 -7.368 202 HA PRO 32 HA PRO 32 -4.208 4.329 -12.806 203 HB2 PRO 32 HB2 PRO 32 -3.157 6.153 -14.411 204 HB3 PRO 32 HB3 PRO 32 -4.016 6.682 -13.127 205 HG2 PRO 32 HG2 PRO 32 -1.191 6.432 -13.357 206 HG3 PRO 32 HG3 PRO 32 -2.042 7.697 -12.772 207 HD2 PRO 32 HD2 PRO 32 -0.969 5.906 -11.174 208 HD3 PRO 32 HD3 PRO 32 -2.320 6.722 -10.754 209 H LEU 33 H LEU 33 -2.353 2.452 -12.254 210 HA LEU 33 HA LEU 33 -0.527 2.306 -14.389 211 HB2 LEU 33 HB2 LEU 33 -0.686 1.226 -11.886 212 HB3 LEU 33 HB3 LEU 33 -0.544 -0.027 -12.924 213 HG LEU 33 HG LEU 33 1.544 0.625 -12.011 214 HD11 LEU 33 HD11 LEU 33 2.751 0.649 -14.087 215 HD12 LEU 33 HD12 LEU 33 1.383 0.996 -14.876 216 HD13 LEU 33 HD13 LEU 33 1.553 -0.436 -14.145 217 HD21 LEU 33 HD21 LEU 33 2.554 2.699 -12.646 218 HD22 LEU 33 HD22 LEU 33 1.214 2.967 -11.781 219 HD23 LEU 33 HD23 LEU 33 1.187 3.141 -13.388 220 H ASN 34 H ASN 34 -1.563 2.015 -16.324 221 HA ASN 34 HA ASN 34 -3.142 -0.329 -16.662 222 HB2 ASN 34 HB2 ASN 34 -3.690 1.676 -17.880 223 HB3 ASN 34 HB3 ASN 34 -2.286 1.534 -18.701 224 HD21 ASN 34 HD21 ASN 34 -4.078 0.023 -21.252 225 HD22 ASN 34 HD22 ASN 34 -3.197 1.430 -20.756 226 H GLY 35 H GLY 35 -2.556 -2.201 -18.000 227 HA2 GLY 35 HA2 GLY 35 -0.840 -2.965 -19.544 228 HA3 GLY 35 HA3 GLY 35 0.279 -2.254 -18.590 229 H TRP 36 H TRP 36 -2.047 -3.693 -16.738 230 HA TRP 36 HA TRP 36 -0.337 -5.688 -15.814 231 HB2 TRP 36 HB2 TRP 36 -2.199 -6.351 -14.437 232 HB3 TRP 36 HB3 TRP 36 -1.957 -4.738 -14.364 233 HD1 TRP 36 HD1 TRP 36 -4.221 -6.989 -16.381 234 HE1 TRP 36 HE1 TRP 36 -6.497 -5.976 -16.672 235 HE3 TRP 36 HE3 TRP 36 -3.320 -2.719 -13.949 236 HZ2 TRP 36 HZ2 TRP 36 -7.678 -3.543 -15.878 237 HZ3 TRP 36 HZ3 TRP 36 -5.088 -1.115 -13.745 238 HH2 TRP 36 HH2 TRP 36 -7.223 -1.507 -14.742 239 H ALA 37 H ALA 37 -1.050 -8.029 -15.581 240 HA ALA 37 HA ALA 37 -2.227 -8.951 -18.065 241 HB1 ALA 37 HB1 ALA 37 0.132 -9.381 -18.087 242 HB2 ALA 37 HB2 ALA 37 -0.664 -10.787 -18.029 243 HB3 ALA 37 HB3 ALA 37 0.011 -10.184 -16.689 244 H VAL 38 H VAL 38 -4.093 -10.044 -17.807 245 HA VAL 38 HA VAL 38 -4.733 -10.942 -15.170 246 HB VAL 38 HB VAL 38 -6.504 -10.881 -17.463 247 HG11 VAL 38 HG11 VAL 38 -8.280 -10.881 -15.857 248 HG12 VAL 38 HG12 VAL 38 -7.199 -10.953 -14.657 249 HG13 VAL 38 HG13 VAL 38 -7.362 -12.200 -15.674 250 HG21 VAL 38 HG21 VAL 38 -7.289 -8.738 -16.667 251 HG22 VAL 38 HG22 VAL 38 -5.717 -8.645 -17.035 252 HG23 VAL 38 HG23 VAL 38 -6.179 -8.768 -15.491 253 H GLN 39 H GLN 39 -4.133 -13.043 -14.685 254 HA GLN 39 HA GLN 39 -3.992 -14.768 -16.949 255 HB2 GLN 39 HB2 GLN 39 -2.476 -16.080 -15.286 256 HB3 GLN 39 HB3 GLN 39 -1.874 -14.868 -16.200 257 HG2 GLN 39 HG2 GLN 39 -1.074 -14.574 -14.064 258 HG3 GLN 39 HG3 GLN 39 -2.169 -13.393 -14.331 259 HE21 GLN 39 HE21 GLN 39 -3.378 -16.413 -11.906 260 HE22 GLN 39 HE22 GLN 39 -2.511 -16.744 -13.368 261 H TRP 40 H TRP 40 -4.501 -16.972 -16.974 262 HA TRP 40 HA TRP 40 -5.706 -18.153 -14.712 263 HB2 TRP 40 HB2 TRP 40 -7.823 -18.625 -15.745 264 HB3 TRP 40 HB3 TRP 40 -7.621 -17.019 -15.528 265 HD1 TRP 40 HD1 TRP 40 -6.791 -15.671 -17.838 266 HE1 TRP 40 HE1 TRP 40 -7.561 -15.909 -20.225 267 HE3 TRP 40 HE3 TRP 40 -8.676 -20.281 -17.446 268 HZ2 TRP 40 HZ2 TRP 40 -8.828 -17.954 -21.679 269 HZ3 TRP 40 HZ3 TRP 40 -9.649 -21.309 -19.383 270 HH2 TRP 40 HH2 TRP 40 -9.693 -20.158 -21.479 271 H GLN 41 H GLN 41 -6.289 -20.512 -15.226 272 HA GLN 41 HA GLN 41 -4.856 -21.432 -17.556 273 HB2 GLN 41 HB2 GLN 41 -3.674 -21.935 -15.508 274 HB3 GLN 41 HB3 GLN 41 -4.956 -22.824 -15.026 275 HG2 GLN 41 HG2 GLN 41 -4.572 -24.305 -16.845 276 HG3 GLN 41 HG3 GLN 41 -3.243 -23.440 -17.238 277 HE21 GLN 41 HE21 GLN 41 -1.905 -26.296 -15.474 278 HE22 GLN 41 HE22 GLN 41 -2.605 -25.919 -17.013 279 HA PRO 42 HA PRO 42 -8.715 -23.435 -18.299 280 HB2 PRO 42 HB2 PRO 42 -8.065 -25.039 -20.330 281 HB3 PRO 42 HB3 PRO 42 -8.226 -23.438 -20.609 282 HG2 PRO 42 HG2 PRO 42 -5.821 -24.892 -20.125 283 HG3 PRO 42 HG3 PRO 42 -6.109 -23.799 -21.304 284 HD2 PRO 42 HD2 PRO 42 -4.848 -23.079 -19.158 285 HD3 PRO 42 HD3 PRO 42 -5.872 -22.036 -19.884 286 H GLY 43 H GLY 43 -9.822 -25.373 -17.835 287 HA2 GLY 43 HA2 GLY 43 -8.317 -26.934 -16.021 288 HA3 GLY 43 HA3 GLY 43 -9.904 -27.112 -16.361 289 H GLY 44 H GLY 44 -8.613 -29.427 -15.974 290 HA2 GLY 44 HA2 GLY 44 -7.475 -30.467 -18.287 291 HA3 GLY 44 HA3 GLY 44 -8.099 -31.347 -17.061 292 H GLY 45 H GLY 45 -8.296 -31.319 -20.163 293 HA2 GLY 45 HA2 GLY 45 -9.945 -32.259 -21.430 294 HA3 GLY 45 HA3 GLY 45 -11.011 -32.136 -20.199 295 H THR 46 H THR 46 -9.714 -29.208 -20.422 296 HA THR 46 HA THR 46 -11.564 -28.306 -22.416 297 HB THR 46 HB THR 46 -11.278 -26.136 -20.836 298 HG1 THR 46 HG1 THR 46 -11.893 -27.566 -18.803 299 HG21 THR 46 HG21 THR 46 -13.501 -26.582 -20.068 300 HG22 THR 46 HG22 THR 46 -13.377 -28.122 -20.545 301 HG23 THR 46 HG23 THR 46 -13.421 -26.936 -21.643 302 H THR 47 H THR 47 -10.910 -26.469 -23.750 303 HA THR 47 HA THR 47 -8.280 -25.468 -23.282 304 HB THR 47 HB THR 47 -7.841 -27.326 -24.764 305 HG1 THR 47 HG1 THR 47 -6.310 -26.305 -25.681 306 HG21 THR 47 HG21 THR 47 -8.607 -27.205 -27.038 307 HG22 THR 47 HG22 THR 47 -9.419 -25.846 -26.708 308 HG23 THR 47 HG23 THR 47 -9.894 -27.248 -26.060 309 H LEU 48 H LEU 48 -7.822 -23.450 -24.507 310 HA LEU 48 HA LEU 48 -10.284 -22.047 -24.697 311 HB2 LEU 48 HB2 LEU 48 -8.984 -20.066 -24.587 312 HB3 LEU 48 HB3 LEU 48 -8.481 -21.098 -23.425 313 HG LEU 48 HG LEU 48 -6.977 -21.372 -25.763 314 HD11 LEU 48 HD11 LEU 48 -5.847 -19.263 -25.612 315 HD12 LEU 48 HD12 LEU 48 -6.875 -18.785 -24.458 316 HD13 LEU 48 HD13 LEU 48 -7.406 -19.020 -25.967 317 HD21 LEU 48 HD21 LEU 48 -5.165 -21.290 -24.220 318 HD22 LEU 48 HD22 LEU 48 -6.295 -22.316 -23.685 319 HD23 LEU 48 HD23 LEU 48 -6.175 -20.838 -23.041 320 H GLY 49 H GLY 49 -10.727 -20.400 -26.388 321 HA2 GLY 49 HA2 GLY 49 -9.704 -21.328 -28.934 322 HA3 GLY 49 HA3 GLY 49 -11.210 -20.729 -28.728 323 H GLY 50 H GLY 50 -11.348 -18.442 -27.861 324 HA2 GLY 50 HA2 GLY 50 -9.149 -16.835 -28.778 325 HA3 GLY 50 HA3 GLY 50 -10.620 -16.566 -29.433 326 H VAL 51 H VAL 51 -9.307 -14.498 -28.235 327 HA VAL 51 HA VAL 51 -11.010 -14.009 -25.965 328 HB VAL 51 HB VAL 51 -8.283 -13.015 -26.107 329 HG11 VAL 51 HG11 VAL 51 -8.627 -12.255 -23.865 330 HG12 VAL 51 HG12 VAL 51 -10.154 -12.785 -23.914 331 HG13 VAL 51 HG13 VAL 51 -9.695 -11.554 -24.857 332 HG21 VAL 51 HG21 VAL 51 -7.771 -14.558 -24.327 333 HG22 VAL 51 HG22 VAL 51 -8.268 -15.376 -25.630 334 HG23 VAL 51 HG23 VAL 51 -9.279 -15.139 -24.391 335 H TRP 52 H TRP 52 -11.971 -11.889 -25.932 336 HA TRP 52 HA TRP 52 -11.212 -10.192 -28.130 337 HB2 TRP 52 HB2 TRP 52 -13.519 -9.544 -28.400 338 HB3 TRP 52 HB3 TRP 52 -13.244 -11.108 -28.778 339 HD1 TRP 52 HD1 TRP 52 -14.958 -9.079 -26.153 340 HE1 TRP 52 HE1 TRP 52 -16.637 -10.433 -24.861 341 HE3 TRP 52 HE3 TRP 52 -13.768 -13.540 -28.066 342 HZ2 TRP 52 HZ2 TRP 52 -17.337 -13.157 -24.823 343 HZ3 TRP 52 HZ3 TRP 52 -14.988 -15.467 -27.328 344 HH2 TRP 52 HH2 TRP 52 -16.726 -15.274 -25.706 345 H ASN 53 H ASN 53 -11.985 -7.877 -27.862 346 HA ASN 53 HA ASN 53 -11.795 -6.037 -26.723 347 HB2 ASN 53 HB2 ASN 53 -13.014 -7.499 -24.539 348 HB3 ASN 53 HB3 ASN 53 -12.828 -5.877 -24.498 349 HD21 ASN 53 HD21 ASN 53 -16.282 -6.571 -25.481 350 HD22 ASN 53 HD22 ASN 53 -15.293 -6.897 -24.097 351 H GLY 54 H GLY 54 -9.586 -7.973 -26.572 352 HA2 GLY 54 HA2 GLY 54 -7.863 -6.377 -25.085 353 HA3 GLY 54 HA3 GLY 54 -8.204 -7.719 -24.219 354 H SER 55 H SER 55 -5.604 -7.410 -24.860 355 HA SER 55 HA SER 55 -5.192 -9.150 -27.135 356 HB2 SER 55 HB2 SER 55 -2.782 -8.288 -26.110 357 HB3 SER 55 HB3 SER 55 -3.437 -7.839 -27.537 358 HG SER 55 HG SER 55 -3.838 -5.986 -26.767 359 H LEU 56 H LEU 56 -3.834 -11.104 -26.922 360 HA LEU 56 HA LEU 56 -3.590 -11.896 -24.181 361 HB2 LEU 56 HB2 LEU 56 -4.558 -13.945 -24.502 362 HB3 LEU 56 HB3 LEU 56 -5.536 -12.897 -25.284 363 HG LEU 56 HG LEU 56 -3.596 -14.195 -26.864 364 HD11 LEU 56 HD11 LEU 56 -4.897 -16.187 -27.082 365 HD12 LEU 56 HD12 LEU 56 -5.896 -15.667 -25.922 366 HD13 LEU 56 HD13 LEU 56 -4.362 -16.032 -25.564 367 HD21 LEU 56 HD21 LEU 56 -5.382 -14.145 -28.475 368 HD22 LEU 56 HD22 LEU 56 -5.143 -12.665 -27.867 369 HD23 LEU 56 HD23 LEU 56 -6.384 -13.562 -27.348 370 H THR 57 H THR 57 -2.044 -13.459 -23.581 371 HA THR 57 HA THR 57 -0.265 -14.346 -25.638 372 HB THR 57 HB THR 57 1.664 -14.018 -24.099 373 HG1 THR 57 HG1 THR 57 0.587 -11.929 -22.900 374 HG21 THR 57 HG21 THR 57 1.995 -11.742 -24.790 375 HG22 THR 57 HG22 THR 57 0.426 -11.608 -25.155 376 HG23 THR 57 HG23 THR 57 1.380 -12.575 -26.032 377 H SER 58 H SER 58 0.976 -16.352 -24.909 378 HA SER 58 HA SER 58 -0.499 -17.739 -22.835 379 HB2 SER 58 HB2 SER 58 -0.878 -18.528 -25.168 380 HB3 SER 58 HB3 SER 58 0.647 -19.111 -25.108 381 HG SER 58 HG SER 58 -0.769 -19.875 -23.006 382 H GLY 59 H GLY 59 0.700 -19.549 -21.755 383 HA2 GLY 59 HA2 GLY 59 3.519 -18.912 -21.588 384 HA3 GLY 59 HA3 GLY 59 2.638 -19.480 -20.336 385 H SER 60 H SER 60 4.906 -20.838 -20.822 386 HA SER 60 HA SER 60 4.634 -22.764 -22.774 387 HB2 SER 60 HB2 SER 60 6.383 -22.895 -20.428 388 HB3 SER 60 HB3 SER 60 6.643 -23.722 -21.812 389 HG SER 60 HG SER 60 7.918 -22.055 -22.058 390 H ASP 61 H ASP 61 3.384 -22.662 -19.661 391 HA ASP 61 HA ASP 61 3.104 -25.487 -19.490 392 HB2 ASP 61 HB2 ASP 61 2.337 -23.468 -17.541 393 HB3 ASP 61 HB3 ASP 61 2.335 -25.072 -17.235 394 H GLY 62 H GLY 62 1.521 -23.515 -21.239 395 HA2 GLY 62 HA2 GLY 62 -0.525 -23.935 -22.211 396 HA3 GLY 62 HA3 GLY 62 -0.927 -24.965 -21.009 397 H THR 63 H THR 63 0.189 -22.275 -19.581 398 HA THR 63 HA THR 63 -2.368 -21.425 -18.804 399 HB THR 63 HB THR 63 -1.149 -19.688 -17.561 400 HG1 THR 63 HG1 THR 63 1.208 -20.065 -17.624 401 HG21 THR 63 HG21 THR 63 -0.008 -21.200 -16.074 402 HG22 THR 63 HG22 THR 63 -0.046 -22.358 -17.202 403 HG23 THR 63 HG23 THR 63 -1.419 -21.862 -16.506 404 H VAL 64 H VAL 64 -3.176 -19.119 -19.016 405 HA VAL 64 HA VAL 64 -2.036 -17.790 -21.254 406 HB VAL 64 HB VAL 64 -4.506 -17.174 -21.820 407 HG11 VAL 64 HG11 VAL 64 -4.453 -18.842 -23.552 408 HG12 VAL 64 HG12 VAL 64 -3.243 -19.599 -22.793 409 HG13 VAL 64 HG13 VAL 64 -3.006 -18.131 -23.429 410 HG21 VAL 64 HG21 VAL 64 -5.941 -19.072 -21.527 411 HG22 VAL 64 HG22 VAL 64 -5.457 -18.517 -20.087 412 HG23 VAL 64 HG23 VAL 64 -4.770 -19.839 -20.717 413 H THR 65 H THR 65 -2.443 -15.476 -21.403 414 HA THR 65 HA THR 65 -3.780 -14.400 -19.168 415 HB THR 65 HB THR 65 -1.470 -14.494 -18.458 416 HG1 THR 65 HG1 THR 65 -2.169 -11.844 -18.733 417 HG21 THR 65 HG21 THR 65 0.139 -13.011 -19.458 418 HG22 THR 65 HG22 THR 65 -0.956 -12.539 -20.550 419 HG23 THR 65 HG23 THR 65 -0.384 -14.051 -20.581 420 H VAL 66 H VAL 66 -4.681 -12.337 -19.406 421 HA VAL 66 HA VAL 66 -4.688 -11.394 -22.134 422 HB VAL 66 HB VAL 66 -6.767 -10.915 -20.174 423 HG11 VAL 66 HG11 VAL 66 -8.083 -10.118 -22.013 424 HG12 VAL 66 HG12 VAL 66 -6.834 -10.349 -23.014 425 HG13 VAL 66 HG13 VAL 66 -6.747 -9.220 -21.860 426 HG21 VAL 66 HG21 VAL 66 -8.064 -12.552 -21.364 427 HG22 VAL 66 HG22 VAL 66 -6.725 -13.235 -20.768 428 HG23 VAL 66 HG23 VAL 66 -6.806 -12.847 -22.336 429 H ARG 67 H ARG 67 -3.874 -9.305 -22.534 430 HA ARG 67 HA ARG 67 -3.281 -7.721 -20.235 431 HB2 ARG 67 HB2 ARG 67 -0.939 -7.649 -20.750 432 HB3 ARG 67 HB3 ARG 67 -1.398 -9.199 -20.516 433 HG2 ARG 67 HG2 ARG 67 -1.656 -9.215 -23.025 434 HG3 ARG 67 HG3 ARG 67 -0.634 -7.943 -22.960 435 HD2 ARG 67 HD2 ARG 67 -0.032 -10.555 -21.878 436 HD3 ARG 67 HD3 ARG 67 0.575 -9.983 -23.282 437 HE ARG 67 HE ARG 67 1.296 -8.158 -21.400 438 HH11 ARG 67 HH11 ARG 67 3.322 -8.161 -20.416 439 HH12 ARG 67 HH12 ARG 67 4.257 -9.618 -20.357 440 HH21 ARG 67 HH21 ARG 67 1.938 -11.561 -22.040 441 HH22 ARG 67 HH22 ARG 67 3.485 -11.516 -21.263 442 H ASN 68 H ASN 68 -2.322 -5.628 -20.635 443 HA ASN 68 HA ASN 68 -2.225 -3.730 -21.714 444 HB2 ASN 68 HB2 ASN 68 -1.430 -5.446 -23.904 445 HB3 ASN 68 HB3 ASN 68 -1.342 -3.822 -24.050 446 HD21 ASN 68 HD21 ASN 68 1.873 -3.749 -22.884 447 HD22 ASN 68 HD22 ASN 68 0.692 -3.152 -24.001 448 H VAL 69 H VAL 69 -4.770 -3.990 -21.381 449 HA VAL 69 HA VAL 69 -6.311 -3.911 -23.653 450 HB VAL 69 HB VAL 69 -6.738 -2.784 -21.025 451 HG11 VAL 69 HG11 VAL 69 -8.964 -2.130 -21.626 452 HG12 VAL 69 HG12 VAL 69 -8.673 -2.533 -23.165 453 HG13 VAL 69 HG13 VAL 69 -7.888 -1.289 -22.493 454 HG21 VAL 69 HG21 VAL 69 -8.442 -4.463 -20.868 455 HG22 VAL 69 HG22 VAL 69 -7.021 -5.148 -21.224 456 HG23 VAL 69 HG23 VAL 69 -8.127 -4.930 -22.383 457 H ASP 70 H ASP 70 -6.441 -2.430 -25.315 458 HA ASP 70 HA ASP 70 -5.057 0.007 -24.896 459 HB2 ASP 70 HB2 ASP 70 -4.775 0.126 -27.203 460 HB3 ASP 70 HB3 ASP 70 -4.786 -1.486 -26.942 461 H HIS 71 H HIS 71 -8.206 -1.092 -25.317 462 HA HIS 71 HA HIS 71 -9.213 1.366 -26.184 463 HB2 HIS 71 HB2 HIS 71 -11.378 0.274 -26.130 464 HB3 HIS 71 HB3 HIS 71 -10.283 -0.670 -26.889 465 HD1 HIS 71 HD1 HIS 71 -12.032 -0.382 -23.607 466 HD2 HIS 71 HD2 HIS 71 -10.000 -3.164 -25.812 467 HE1 HIS 71 HE1 HIS 71 -12.250 -2.579 -22.466 468 HE2 HIS 71 HE2 HIS 71 -11.036 -4.288 -23.789 469 H ASN 72 H ASN 72 -7.932 1.102 -23.500 470 HA ASN 72 HA ASN 72 -10.027 1.984 -21.821 471 HB2 ASN 72 HB2 ASN 72 -8.427 1.989 -20.083 472 HB3 ASN 72 HB3 ASN 72 -8.123 0.662 -20.985 473 HD21 ASN 72 HD21 ASN 72 -5.264 3.279 -20.366 474 HD22 ASN 72 HD22 ASN 72 -6.688 3.056 -19.406 475 H ARG 73 H ARG 73 -8.340 3.425 -24.157 476 HA ARG 73 HA ARG 73 -7.577 5.800 -23.002 477 HB2 ARG 73 HB2 ARG 73 -6.860 5.059 -25.213 478 HB3 ARG 73 HB3 ARG 73 -8.354 5.394 -25.782 479 HG2 ARG 73 HG2 ARG 73 -8.018 7.670 -25.448 480 HG3 ARG 73 HG3 ARG 73 -6.576 7.383 -24.736 481 HD2 ARG 73 HD2 ARG 73 -5.687 6.633 -26.785 482 HD3 ARG 73 HD3 ARG 73 -7.138 6.832 -27.507 483 HE ARG 73 HE ARG 73 -6.550 9.272 -26.500 484 HH11 ARG 73 HH11 ARG 73 -5.539 10.907 -27.659 485 HH12 ARG 73 HH12 ARG 73 -4.589 10.527 -29.056 486 HH21 ARG 73 HH21 ARG 73 -5.164 7.100 -28.877 487 HH22 ARG 73 HH22 ARG 73 -4.376 8.375 -29.744 488 H VAL 74 H VAL 74 -10.625 4.720 -23.905 489 HA VAL 74 HA VAL 74 -11.694 7.308 -24.190 490 HB VAL 74 HB VAL 74 -13.505 5.082 -24.029 491 HG11 VAL 74 HG11 VAL 74 -14.533 6.157 -25.923 492 HG12 VAL 74 HG12 VAL 74 -13.325 7.230 -25.971 493 HG13 VAL 74 HG13 VAL 74 -14.347 7.219 -24.718 494 HG21 VAL 74 HG21 VAL 74 -12.923 4.251 -26.215 495 HG22 VAL 74 HG22 VAL 74 -11.666 4.080 -25.212 496 HG23 VAL 74 HG23 VAL 74 -11.685 5.289 -26.285 497 H VAL 75 H VAL 75 -10.829 5.899 -21.534 498 HA VAL 75 HA VAL 75 -12.891 7.108 -19.937 499 HB VAL 75 HB VAL 75 -13.606 4.835 -20.240 500 HG11 VAL 75 HG11 VAL 75 -12.363 3.028 -19.266 501 HG12 VAL 75 HG12 VAL 75 -11.169 4.054 -18.897 502 HG13 VAL 75 HG13 VAL 75 -11.513 3.738 -20.445 503 HG21 VAL 75 HG21 VAL 75 -14.007 4.299 -17.911 504 HG22 VAL 75 HG22 VAL 75 -14.273 5.871 -18.178 505 HG23 VAL 75 HG23 VAL 75 -12.899 5.392 -17.472 506 HA PRO 76 HA PRO 76 -9.231 8.010 -17.667 507 HB2 PRO 76 HB2 PRO 76 -10.227 8.630 -15.267 508 HB3 PRO 76 HB3 PRO 76 -10.254 9.723 -16.480 509 HG2 PRO 76 HG2 PRO 76 -12.381 8.011 -15.622 510 HG3 PRO 76 HG3 PRO 76 -12.465 9.599 -15.996 511 HD2 PRO 76 HD2 PRO 76 -13.206 7.839 -17.732 512 HD3 PRO 76 HD3 PRO 76 -12.439 9.190 -18.234 513 HA PRO 77 HA PRO 77 -8.489 4.237 -15.857 514 HB2 PRO 77 HB2 PRO 77 -6.028 4.520 -14.908 515 HB3 PRO 77 HB3 PRO 77 -6.242 4.685 -16.519 516 HG2 PRO 77 HG2 PRO 77 -6.087 6.764 -14.556 517 HG3 PRO 77 HG3 PRO 77 -5.315 6.693 -15.994 518 HD2 PRO 77 HD2 PRO 77 -7.524 8.074 -15.699 519 HD3 PRO 77 HD3 PRO 77 -7.135 7.395 -17.133 520 H ASP 78 H ASP 78 -10.273 5.484 -14.375 521 HA ASP 78 HA ASP 78 -9.372 4.942 -11.708 522 HB2 ASP 78 HB2 ASP 78 -10.896 6.664 -10.941 523 HB3 ASP 78 HB3 ASP 78 -9.813 7.281 -11.996 524 H GLY 79 H GLY 79 -10.978 3.473 -13.898 525 HA2 GLY 79 HA2 GLY 79 -13.088 2.549 -12.150 526 HA3 GLY 79 HA3 GLY 79 -13.394 2.895 -13.716 527 H SER 80 H SER 80 -14.257 0.703 -13.792 528 HA SER 80 HA SER 80 -12.185 -1.273 -13.909 529 HB2 SER 80 HB2 SER 80 -14.066 -2.890 -13.828 530 HB3 SER 80 HB3 SER 80 -14.036 -1.915 -12.518 531 HG SER 80 HG SER 80 -15.500 -0.552 -13.807 532 H VAL 81 H VAL 81 -12.086 -2.876 -15.634 533 HA VAL 81 HA VAL 81 -13.484 -2.048 -18.003 534 HB VAL 81 HB VAL 81 -11.563 -2.860 -19.343 535 HG11 VAL 81 HG11 VAL 81 -10.318 -0.826 -19.112 536 HG12 VAL 81 HG12 VAL 81 -11.062 -0.523 -17.709 537 HG13 VAL 81 HG13 VAL 81 -11.904 -0.508 -19.089 538 HG21 VAL 81 HG21 VAL 81 -9.438 -3.036 -18.266 539 HG22 VAL 81 HG22 VAL 81 -10.451 -4.148 -17.672 540 HG23 VAL 81 HG23 VAL 81 -10.137 -2.806 -16.827 541 H THR 82 H THR 82 -13.959 -3.918 -19.531 542 HA THR 82 HA THR 82 -13.772 -6.434 -18.196 543 HB THR 82 HB THR 82 -16.020 -5.627 -17.713 544 HG1 THR 82 HG1 THR 82 -17.182 -7.438 -18.566 545 HG21 THR 82 HG21 THR 82 -17.607 -5.366 -19.493 546 HG22 THR 82 HG22 THR 82 -16.461 -5.698 -20.584 547 HG23 THR 82 HG23 THR 82 -16.387 -4.330 -19.725 548 H PHE 83 H PHE 83 -14.014 -8.344 -19.515 549 HA PHE 83 HA PHE 83 -14.112 -8.044 -22.332 550 HB2 PHE 83 HB2 PHE 83 -11.947 -9.017 -22.754 551 HB3 PHE 83 HB3 PHE 83 -11.849 -7.517 -22.117 552 HD1 PHE 83 HD1 PHE 83 -11.202 -10.947 -21.509 553 HD2 PHE 83 HD2 PHE 83 -11.017 -7.164 -19.876 554 HE1 PHE 83 HE1 PHE 83 -9.749 -11.771 -19.810 555 HE2 PHE 83 HE2 PHE 83 -9.558 -7.973 -18.163 556 HZ PHE 83 HZ PHE 83 -8.881 -10.273 -18.155 557 H GLY 84 H GLY 84 -13.613 -10.351 -23.354 558 HA2 GLY 84 HA2 GLY 84 -14.373 -12.409 -21.525 559 HA3 GLY 84 HA3 GLY 84 -15.398 -12.110 -22.761 560 H PHE 85 H PHE 85 -14.578 -14.601 -22.604 561 HA PHE 85 HA PHE 85 -12.943 -14.885 -24.911 562 HB2 PHE 85 HB2 PHE 85 -11.432 -16.448 -23.895 563 HB3 PHE 85 HB3 PHE 85 -11.323 -14.996 -23.156 564 HD1 PHE 85 HD1 PHE 85 -11.763 -14.762 -20.847 565 HD2 PHE 85 HD2 PHE 85 -12.672 -18.320 -22.741 566 HE1 PHE 85 HE1 PHE 85 -12.162 -15.784 -18.725 567 HE2 PHE 85 HE2 PHE 85 -13.080 -19.349 -20.619 568 HZ PHE 85 HZ PHE 85 -12.752 -18.101 -18.605 569 H THR 86 H THR 86 -12.839 -17.185 -25.720 570 HA THR 86 HA THR 86 -15.168 -18.627 -24.848 571 HB THR 86 HB THR 86 -15.677 -17.725 -27.016 572 HG1 THR 86 HG1 THR 86 -16.774 -19.444 -27.223 573 HG21 THR 86 HG21 THR 86 -14.408 -18.390 -28.934 574 HG22 THR 86 HG22 THR 86 -13.398 -19.234 -27.995 575 HG23 THR 86 HG23 THR 86 -13.427 -17.620 -27.905 576 H ALA 87 H ALA 87 -15.111 -20.960 -25.065 577 HA ALA 87 HA ALA 87 -12.501 -22.057 -25.444 578 HB1 ALA 87 HB1 ALA 87 -12.577 -21.586 -23.064 579 HB2 ALA 87 HB2 ALA 87 -12.542 -23.188 -23.278 580 HB3 ALA 87 HB3 ALA 87 -13.937 -22.449 -22.929 581 H THR 88 H THR 88 -12.427 -24.448 -25.597 582 HA THR 88 HA THR 88 -15.038 -25.534 -26.198 583 HB THR 88 HB THR 88 -13.917 -27.072 -27.743 584 HG1 THR 88 HG1 THR 88 -11.915 -27.308 -27.465 585 HG21 THR 88 HG21 THR 88 -13.504 -25.461 -29.464 586 HG22 THR 88 HG22 THR 88 -13.429 -24.279 -28.364 587 HG23 THR 88 HG23 THR 88 -14.834 -25.024 -28.655 588 H SER 89 H SER 89 -15.120 -28.004 -25.942 589 HA SER 89 HA SER 89 -13.521 -28.827 -23.747 590 HB2 SER 89 HB2 SER 89 -15.462 -27.751 -22.710 591 HB3 SER 89 HB3 SER 89 -16.448 -28.766 -23.526 592 HG SER 89 HG SER 89 -15.444 -29.157 -21.215 593 H THR 90 H THR 90 -13.567 -31.012 -23.098 594 HA THR 90 HA THR 90 -14.793 -32.732 -25.037 595 HB THR 90 HB THR 90 -13.046 -34.398 -24.432 596 HG1 THR 90 HG1 THR 90 -12.785 -33.245 -22.342 597 HG21 THR 90 HG21 THR 90 -11.229 -33.288 -25.537 598 HG22 THR 90 HG22 THR 90 -11.941 -31.855 -25.307 599 HG23 THR 90 HG23 THR 90 -12.599 -32.931 -26.319 600 H GLY 91 H GLY 91 -15.439 -31.576 -22.202 601 HA2 GLY 91 HA2 GLY 91 -17.348 -33.207 -21.434 602 HA3 GLY 91 HA3 GLY 91 -16.047 -33.962 -20.798 603 H ASN 92 H ASN 92 -14.704 -31.370 -20.265 604 HA ASN 92 HA ASN 92 -15.928 -30.935 -17.737 605 HB2 ASN 92 HB2 ASN 92 -13.517 -31.027 -17.949 606 HB3 ASN 92 HB3 ASN 92 -13.568 -29.624 -18.784 607 HD21 ASN 92 HD21 ASN 92 -12.583 -28.756 -15.402 608 HD22 ASN 92 HD22 ASN 92 -11.911 -29.526 -16.801 609 H ASP 93 H ASP 93 -17.493 -29.445 -17.339 610 HA ASP 93 HA ASP 93 -18.113 -27.779 -19.495 611 HB2 ASP 93 HB2 ASP 93 -19.475 -28.171 -16.953 612 HB3 ASP 93 HB3 ASP 93 -20.108 -27.231 -18.129 613 H PHE 94 H PHE 94 -16.281 -27.318 -16.808 614 HA PHE 94 HA PHE 94 -16.597 -24.474 -16.953 615 HB2 PHE 94 HB2 PHE 94 -16.517 -25.964 -14.446 616 HB3 PHE 94 HB3 PHE 94 -16.661 -24.339 -14.533 617 HD1 PHE 94 HD1 PHE 94 -18.770 -23.449 -15.756 618 HD2 PHE 94 HD2 PHE 94 -18.423 -27.273 -14.243 619 HE1 PHE 94 HE1 PHE 94 -21.151 -23.655 -15.772 620 HE2 PHE 94 HE2 PHE 94 -20.803 -27.497 -14.280 621 HZ PHE 94 HZ PHE 94 -22.173 -25.705 -15.077 622 HA PRO 95 HA PRO 95 -12.279 -24.405 -16.270 623 HB2 PRO 95 HB2 PRO 95 -11.825 -21.972 -15.304 624 HB3 PRO 95 HB3 PRO 95 -12.242 -22.118 -16.876 625 HG2 PRO 95 HG2 PRO 95 -13.936 -21.448 -14.671 626 HG3 PRO 95 HG3 PRO 95 -13.893 -20.749 -16.146 627 HD2 PRO 95 HD2 PRO 95 -15.696 -22.560 -15.534 628 HD3 PRO 95 HD3 PRO 95 -15.180 -22.356 -17.070 629 H VAL 96 H VAL 96 -10.637 -24.507 -14.627 630 HA VAL 96 HA VAL 96 -11.908 -25.076 -12.126 631 HB VAL 96 HB VAL 96 -9.413 -26.246 -13.111 632 HG11 VAL 96 HG11 VAL 96 -9.506 -27.737 -11.227 633 HG12 VAL 96 HG12 VAL 96 -10.829 -26.982 -10.686 634 HG13 VAL 96 HG13 VAL 96 -9.410 -26.208 -10.710 635 HG21 VAL 96 HG21 VAL 96 -10.651 -28.278 -13.402 636 HG22 VAL 96 HG22 VAL 96 -11.294 -27.105 -14.310 637 HG23 VAL 96 HG23 VAL 96 -12.001 -27.530 -12.920 638 H ASP 97 H ASP 97 -9.215 -23.524 -13.595 639 HA ASP 97 HA ASP 97 -7.968 -22.806 -11.210 640 HB2 ASP 97 HB2 ASP 97 -6.832 -22.934 -13.360 641 HB3 ASP 97 HB3 ASP 97 -7.589 -21.554 -13.796 642 H SER 98 H SER 98 -7.710 -20.754 -10.194 643 HA SER 98 HA SER 98 -10.062 -19.155 -10.390 644 HB2 SER 98 HB2 SER 98 -8.930 -17.991 -8.434 645 HB3 SER 98 HB3 SER 98 -9.503 -19.497 -8.172 646 HG SER 98 HG SER 98 -7.519 -20.337 -8.289 647 H ILE 99 H ILE 99 -10.042 -16.830 -10.670 648 HA ILE 99 HA ILE 99 -8.021 -16.191 -12.532 649 HB ILE 99 HB ILE 99 -9.341 -14.377 -13.281 650 HG12 ILE 99 HG12 ILE 99 -10.121 -13.557 -11.228 651 HG13 ILE 99 HG13 ILE 99 -11.340 -13.697 -12.306 652 HG21 ILE 99 HG21 ILE 99 -11.332 -15.555 -13.990 653 HG22 ILE 99 HG22 ILE 99 -11.025 -16.714 -12.906 654 HG23 ILE 99 HG23 ILE 99 -10.026 -16.494 -14.158 655 HD11 ILE 99 HD11 ILE 99 -12.078 -14.375 -10.147 656 HD12 ILE 99 HD12 ILE 99 -10.919 -15.501 -10.085 657 HD13 ILE 99 HD13 ILE 99 -12.125 -15.641 -11.153 658 H GLY 100 H GLY 100 -6.662 -14.309 -12.493 659 HA2 GLY 100 HA2 GLY 100 -6.803 -12.571 -10.259 660 HA3 GLY 100 HA3 GLY 100 -5.481 -13.529 -10.271 661 H CYS 101 H CYS 101 -4.612 -11.097 -10.380 662 HA CYS 101 HA CYS 101 -3.884 -10.798 -13.148 663 HB2 CYS 101 HB2 CYS 101 -4.178 -8.618 -13.249 664 HB3 CYS 101 HB3 CYS 101 -5.538 -9.198 -12.554 665 H VAL 102 H VAL 102 -1.746 -10.004 -13.518 666 HA VAL 102 HA VAL 102 -0.162 -9.589 -11.166 667 HB VAL 102 HB VAL 102 1.666 -10.911 -12.162 668 HG11 VAL 102 HG11 VAL 102 0.746 -13.075 -11.630 669 HG12 VAL 102 HG12 VAL 102 -0.747 -12.455 -11.673 670 HG13 VAL 102 HG13 VAL 102 0.287 -11.994 -10.518 671 HG21 VAL 102 HG21 VAL 102 1.200 -12.357 -14.015 672 HG22 VAL 102 HG22 VAL 102 1.012 -10.813 -14.457 673 HG23 VAL 102 HG23 VAL 102 -0.284 -11.727 -14.142 674 H ALA 103 H ALA 103 1.994 -8.527 -11.705 675 HA ALA 103 HA ALA 103 1.834 -6.956 -14.144 676 HB1 ALA 103 HB1 ALA 103 1.466 -5.489 -12.293 677 HB2 ALA 103 HB2 ALA 103 2.918 -5.155 -12.923 678 HB3 ALA 103 HB3 ALA 103 2.806 -6.027 -11.566 679 HA PRO 104 HA PRO 104 5.845 -8.700 -14.671 680 HB2 PRO 104 HB2 PRO 104 7.112 -6.977 -16.229 681 HB3 PRO 104 HB3 PRO 104 5.884 -7.851 -16.857 682 HG2 PRO 104 HG2 PRO 104 5.787 -5.164 -15.863 683 HG3 PRO 104 HG3 PRO 104 5.147 -5.735 -17.253 684 HD2 PRO 104 HD2 PRO 104 3.666 -5.404 -15.138 685 HD3 PRO 104 HD3 PRO 104 3.346 -6.601 -16.202 Start of MODEL 20 1 H1 HIS 1 H1 HIS 1 6.516 -4.374 -9.091 2 H2 HIS 1 H2 HIS 1 6.313 -3.020 -8.232 3 H3 HIS 1 H3 HIS 1 6.061 -3.009 -9.829 4 HA HIS 1 HA HIS 1 4.220 -4.415 -9.583 5 HB2 HIS 1 HB2 HIS 1 5.075 -5.493 -7.537 6 HB3 HIS 1 HB3 HIS 1 4.475 -4.218 -6.712 7 HD1 HIS 1 HD1 HIS 1 2.165 -4.450 -5.787 8 HD2 HIS 1 HD2 HIS 1 2.898 -6.912 -8.970 9 HE1 HIS 1 HE1 HIS 1 0.177 -5.896 -6.124 10 HE2 HIS 1 HE2 HIS 1 0.590 -7.404 -8.040 11 H THR 2 H THR 2 2.694 -3.081 -10.343 12 HA THR 2 HA THR 2 1.822 -0.976 -8.608 13 HB THR 2 HB THR 2 3.477 0.121 -10.069 14 HG1 THR 2 HG1 THR 2 2.346 1.882 -10.252 15 HG21 THR 2 HG21 THR 2 2.960 0.397 -12.370 16 HG22 THR 2 HG22 THR 2 1.630 -0.508 -12.205 17 HG23 THR 2 HG23 THR 2 3.091 -1.184 -12.059 18 H GLY 3 H GLY 3 -0.348 -0.029 -9.385 19 HA2 GLY 3 HA2 GLY 3 -2.403 -0.421 -10.250 20 HA3 GLY 3 HA3 GLY 3 -1.707 -1.270 -11.459 21 H SER 4 H SER 4 -1.740 -1.931 -8.056 22 HA SER 4 HA SER 4 -2.420 -4.586 -8.313 23 HB2 SER 4 HB2 SER 4 -2.966 -4.381 -5.875 24 HB3 SER 4 HB3 SER 4 -1.454 -3.910 -6.273 25 HG SER 4 HG SER 4 -3.001 -1.857 -6.557 26 H CYS 5 H CYS 5 -4.353 -5.760 -8.039 27 HA CYS 5 HA CYS 5 -6.769 -4.252 -8.029 28 HB2 CYS 5 HB2 CYS 5 -7.443 -5.615 -10.024 29 HB3 CYS 5 HB3 CYS 5 -6.563 -4.260 -10.261 30 H MET 6 H MET 6 -8.743 -5.749 -8.251 31 HA MET 6 HA MET 6 -8.180 -8.471 -7.416 32 HB2 MET 6 HB2 MET 6 -10.316 -6.818 -6.483 33 HB3 MET 6 HB3 MET 6 -10.336 -8.444 -6.328 34 HG2 MET 6 HG2 MET 6 -8.332 -6.771 -5.201 35 HG3 MET 6 HG3 MET 6 -9.659 -7.253 -4.381 36 HE1 MET 6 HE1 MET 6 -7.338 -9.570 -2.486 37 HE2 MET 6 HE2 MET 6 -8.651 -8.633 -2.376 38 HE3 MET 6 HE3 MET 6 -7.224 -7.982 -2.767 39 H ALA 7 H ALA 7 -9.869 -10.002 -8.372 40 HA ALA 7 HA ALA 7 -11.312 -8.816 -10.541 41 HB1 ALA 7 HB1 ALA 7 -9.268 -9.602 -11.538 42 HB2 ALA 7 HB2 ALA 7 -10.515 -10.447 -12.127 43 HB3 ALA 7 HB3 ALA 7 -9.567 -11.093 -10.987 44 H VAL 8 H VAL 8 -13.023 -10.088 -11.493 45 HA VAL 8 HA VAL 8 -13.908 -12.228 -9.779 46 HB VAL 8 HB VAL 8 -15.698 -10.219 -10.869 47 HG11 VAL 8 HG11 VAL 8 -17.422 -11.222 -9.579 48 HG12 VAL 8 HG12 VAL 8 -16.398 -12.375 -9.094 49 HG13 VAL 8 HG13 VAL 8 -16.832 -12.282 -10.649 50 HG21 VAL 8 HG21 VAL 8 -15.957 -9.462 -8.577 51 HG22 VAL 8 HG22 VAL 8 -14.409 -9.323 -9.023 52 HG23 VAL 8 HG23 VAL 8 -14.873 -10.560 -8.092 53 H TYR 9 H TYR 9 -14.985 -13.986 -10.877 54 HA TYR 9 HA TYR 9 -14.805 -13.815 -13.753 55 HB2 TYR 9 HB2 TYR 9 -13.122 -15.249 -13.212 56 HB3 TYR 9 HB3 TYR 9 -14.013 -15.982 -12.056 57 HD1 TYR 9 HD1 TYR 9 -15.108 -18.028 -12.522 58 HD2 TYR 9 HD2 TYR 9 -13.807 -15.682 -15.674 59 HE1 TYR 9 HE1 TYR 9 -15.680 -19.768 -14.065 60 HE2 TYR 9 HE2 TYR 9 -14.419 -17.410 -17.212 61 HH TYR 9 HH TYR 9 -15.258 -20.582 -16.241 62 H SER 10 H SER 10 -16.560 -14.470 -14.983 63 HA SER 10 HA SER 10 -18.533 -16.058 -13.673 64 HB2 SER 10 HB2 SER 10 -19.222 -13.586 -15.054 65 HB3 SER 10 HB3 SER 10 -20.347 -14.651 -14.537 66 HG SER 10 HG SER 10 -19.677 -12.743 -13.194 67 H VAL 11 H VAL 11 -19.990 -17.285 -15.070 68 HA VAL 11 HA VAL 11 -18.826 -17.742 -17.658 69 HB VAL 11 HB VAL 11 -20.733 -19.380 -16.245 70 HG11 VAL 11 HG11 VAL 11 -20.409 -21.037 -17.957 71 HG12 VAL 11 HG12 VAL 11 -19.460 -20.013 -18.773 72 HG13 VAL 11 HG13 VAL 11 -21.035 -19.692 -18.600 73 HG21 VAL 11 HG21 VAL 11 -18.877 -20.918 -15.993 74 HG22 VAL 11 HG22 VAL 11 -18.515 -19.501 -15.304 75 HG23 VAL 11 HG23 VAL 11 -17.910 -19.872 -16.757 76 H GLU 12 H GLU 12 -19.725 -16.781 -19.425 77 HA GLU 12 HA GLU 12 -22.119 -15.362 -19.176 78 HB2 GLU 12 HB2 GLU 12 -20.378 -14.692 -20.678 79 HB3 GLU 12 HB3 GLU 12 -20.642 -16.030 -21.576 80 HG2 GLU 12 HG2 GLU 12 -21.736 -14.518 -22.810 81 HG3 GLU 12 HG3 GLU 12 -22.957 -15.025 -21.851 82 H ASN 13 H ASN 13 -21.232 -18.244 -20.947 83 HA ASN 13 HA ASN 13 -23.841 -19.310 -20.737 84 HB2 ASN 13 HB2 ASN 13 -24.107 -17.840 -22.640 85 HB3 ASN 13 HB3 ASN 13 -22.911 -18.649 -23.404 86 HD21 ASN 13 HD21 ASN 13 -25.389 -20.413 -25.053 87 HD22 ASN 13 HD22 ASN 13 -24.154 -19.205 -25.185 88 H SER 14 H SER 14 -23.945 -21.584 -21.334 89 HA SER 14 HA SER 14 -21.462 -22.707 -22.194 90 HB2 SER 14 HB2 SER 14 -21.492 -24.355 -20.382 91 HB3 SER 14 HB3 SER 14 -21.328 -22.842 -19.788 92 HG SER 14 HG SER 14 -23.858 -23.726 -20.091 93 H TRP 15 H TRP 15 -21.562 -24.707 -23.254 94 HA TRP 15 HA TRP 15 -24.104 -26.043 -23.341 95 HB2 TRP 15 HB2 TRP 15 -24.053 -26.196 -25.747 96 HB3 TRP 15 HB3 TRP 15 -24.332 -24.678 -25.213 97 HD1 TRP 15 HD1 TRP 15 -21.205 -26.553 -26.153 98 HE1 TRP 15 HE1 TRP 15 -19.647 -25.131 -27.511 99 HE3 TRP 15 HE3 TRP 15 -24.034 -22.459 -26.260 100 HZ2 TRP 15 HZ2 TRP 15 -19.776 -22.513 -28.535 101 HZ3 TRP 15 HZ3 TRP 15 -23.270 -20.550 -27.489 102 HH2 TRP 15 HH2 TRP 15 -21.131 -20.559 -28.551 103 H SER 16 H SER 16 -23.748 -28.247 -24.686 104 HA SER 16 HA SER 16 -21.622 -29.556 -23.511 105 HB2 SER 16 HB2 SER 16 -22.225 -31.087 -25.617 106 HB3 SER 16 HB3 SER 16 -23.002 -31.173 -24.183 107 HG SER 16 HG SER 16 -23.782 -29.944 -26.487 108 H GLY 17 H GLY 17 -19.453 -29.449 -23.926 109 HA2 GLY 17 HA2 GLY 17 -17.708 -29.672 -25.441 110 HA3 GLY 17 HA3 GLY 17 -18.678 -29.225 -26.677 111 H GLY 18 H GLY 18 -19.157 -26.942 -24.366 112 HA2 GLY 18 HA2 GLY 18 -16.877 -25.459 -24.410 113 HA3 GLY 18 HA3 GLY 18 -17.682 -25.035 -25.766 114 H PHE 19 H PHE 19 -16.929 -23.209 -23.862 115 HA PHE 19 HA PHE 19 -19.435 -22.155 -23.123 116 HB2 PHE 19 HB2 PHE 19 -19.008 -21.958 -20.784 117 HB3 PHE 19 HB3 PHE 19 -18.968 -23.534 -21.211 118 HD1 PHE 19 HD1 PHE 19 -16.916 -24.792 -21.167 119 HD2 PHE 19 HD2 PHE 19 -16.989 -20.822 -19.996 120 HE1 PHE 19 HE1 PHE 19 -14.724 -25.030 -20.220 121 HE2 PHE 19 HE2 PHE 19 -14.811 -21.065 -19.056 122 HZ PHE 19 HZ PHE 19 -13.661 -23.161 -19.201 123 H GLN 20 H GLN 20 -19.266 -19.924 -22.148 124 HA GLN 20 HA GLN 20 -16.922 -18.644 -23.223 125 HB2 GLN 20 HB2 GLN 20 -19.590 -17.967 -23.450 126 HB3 GLN 20 HB3 GLN 20 -18.801 -16.727 -22.740 127 HG2 GLN 20 HG2 GLN 20 -17.357 -16.536 -24.539 128 HG3 GLN 20 HG3 GLN 20 -17.950 -17.901 -25.213 129 HE21 GLN 20 HE21 GLN 20 -20.611 -16.443 -26.876 130 HE22 GLN 20 HE22 GLN 20 -19.847 -17.925 -26.409 131 H GLY 21 H GLY 21 -15.570 -17.426 -21.955 132 HA2 GLY 21 HA2 GLY 21 -16.366 -17.262 -19.177 133 HA3 GLY 21 HA3 GLY 21 -14.826 -17.506 -19.664 134 H SER 22 H SER 22 -16.441 -15.391 -18.131 135 HA SER 22 HA SER 22 -15.283 -13.104 -19.468 136 HB2 SER 22 HB2 SER 22 -17.161 -11.799 -18.757 137 HB3 SER 22 HB3 SER 22 -17.735 -13.110 -19.543 138 HG SER 22 HG SER 22 -18.881 -13.336 -17.854 139 H VAL 23 H VAL 23 -14.236 -11.510 -18.217 140 HA VAL 23 HA VAL 23 -14.084 -12.069 -15.416 141 HB VAL 23 HB VAL 23 -11.615 -11.496 -15.591 142 HG11 VAL 23 HG11 VAL 23 -11.056 -13.828 -15.862 143 HG12 VAL 23 HG12 VAL 23 -12.533 -14.116 -16.453 144 HG13 VAL 23 HG13 VAL 23 -12.351 -13.683 -14.906 145 HG21 VAL 23 HG21 VAL 23 -10.604 -12.152 -17.660 146 HG22 VAL 23 HG22 VAL 23 -11.607 -10.908 -17.903 147 HG23 VAL 23 HG23 VAL 23 -12.067 -12.406 -18.299 148 H GLU 24 H GLU 24 -14.332 -10.297 -14.128 149 HA GLU 24 HA GLU 24 -13.929 -7.744 -15.403 150 HB2 GLU 24 HB2 GLU 24 -16.144 -8.111 -14.527 151 HB3 GLU 24 HB3 GLU 24 -15.503 -8.231 -13.030 152 HG2 GLU 24 HG2 GLU 24 -14.844 -5.981 -13.090 153 HG3 GLU 24 HG3 GLU 24 -15.351 -5.845 -14.636 154 H VAL 25 H VAL 25 -12.468 -6.276 -14.625 155 HA VAL 25 HA VAL 25 -11.113 -7.024 -12.214 156 HB VAL 25 HB VAL 25 -9.644 -7.615 -13.987 157 HG11 VAL 25 HG11 VAL 25 -8.817 -6.018 -15.547 158 HG12 VAL 25 HG12 VAL 25 -9.797 -4.893 -14.923 159 HG13 VAL 25 HG13 VAL 25 -10.420 -6.172 -15.692 160 HG21 VAL 25 HG21 VAL 25 -7.684 -6.391 -13.345 161 HG22 VAL 25 HG22 VAL 25 -8.537 -6.807 -12.035 162 HG23 VAL 25 HG23 VAL 25 -8.608 -5.294 -12.600 163 H MET 26 H MET 26 -10.752 -5.406 -10.708 164 HA MET 26 HA MET 26 -12.106 -3.005 -11.170 165 HB2 MET 26 HB2 MET 26 -11.510 -2.415 -8.999 166 HB3 MET 26 HB3 MET 26 -11.874 -4.007 -8.991 167 HG2 MET 26 HG2 MET 26 -9.539 -4.424 -9.208 168 HG3 MET 26 HG3 MET 26 -9.304 -2.832 -8.929 169 HE1 MET 26 HE1 MET 26 -10.177 -2.248 -5.341 170 HE2 MET 26 HE2 MET 26 -10.928 -1.820 -6.708 171 HE3 MET 26 HE3 MET 26 -9.317 -1.718 -6.603 172 H ASN 27 H ASN 27 -11.412 -0.955 -11.748 173 HA ASN 27 HA ASN 27 -8.594 -0.722 -12.193 174 HB2 ASN 27 HB2 ASN 27 -9.604 -1.276 -14.305 175 HB3 ASN 27 HB3 ASN 27 -10.538 0.059 -14.192 176 HD21 ASN 27 HD21 ASN 27 -8.211 1.606 -16.264 177 HD22 ASN 27 HD22 ASN 27 -9.743 0.798 -16.243 178 H HIS 28 H HIS 28 -7.912 0.936 -10.924 179 HA HIS 28 HA HIS 28 -9.650 3.166 -10.594 180 HB2 HIS 28 HB2 HIS 28 -8.524 2.288 -8.653 181 HB3 HIS 28 HB3 HIS 28 -7.084 2.660 -9.327 182 HD1 HIS 28 HD1 HIS 28 -6.279 5.150 -9.323 183 HD2 HIS 28 HD2 HIS 28 -9.850 4.440 -7.450 184 HE1 HIS 28 HE1 HIS 28 -6.939 7.211 -8.105 185 HE2 HIS 28 HE2 HIS 28 -9.094 6.804 -6.950 186 H GLY 29 H GLY 29 -7.105 2.300 -12.558 187 HA2 GLY 29 HA2 GLY 29 -6.101 4.941 -12.903 188 HA3 GLY 29 HA3 GLY 29 -5.573 3.600 -13.671 189 H THR 30 H THR 30 -6.014 6.095 -14.968 190 HA THR 30 HA THR 30 -8.269 5.408 -16.614 191 HB THR 30 HB THR 30 -8.513 7.598 -15.521 192 HG1 THR 30 HG1 THR 30 -8.419 7.973 -18.231 193 HG21 THR 30 HG21 THR 30 -7.203 9.423 -16.311 194 HG22 THR 30 HG22 THR 30 -6.350 8.429 -17.260 195 HG23 THR 30 HG23 THR 30 -6.215 8.325 -15.652 196 H GLU 31 H GLU 31 -4.987 5.588 -16.475 197 HA GLU 31 HA GLU 31 -4.581 5.871 -19.286 198 HB2 GLU 31 HB2 GLU 31 -2.655 5.448 -17.188 199 HB3 GLU 31 HB3 GLU 31 -2.263 5.775 -18.740 200 HG2 GLU 31 HG2 GLU 31 -3.266 7.928 -18.524 201 HG3 GLU 31 HG3 GLU 31 -3.608 7.601 -16.961 202 HA PRO 32 HA PRO 32 -4.376 1.551 -19.906 203 HB2 PRO 32 HB2 PRO 32 -3.118 1.349 -22.220 204 HB3 PRO 32 HB3 PRO 32 -4.599 2.036 -22.193 205 HG2 PRO 32 HG2 PRO 32 -2.057 3.357 -22.221 206 HG3 PRO 32 HG3 PRO 32 -3.382 3.724 -23.104 207 HD2 PRO 32 HD2 PRO 32 -2.779 5.036 -20.917 208 HD3 PRO 32 HD3 PRO 32 -4.324 4.876 -21.419 209 H LEU 33 H LEU 33 -3.205 1.223 -17.982 210 HA LEU 33 HA LEU 33 -0.447 1.114 -18.008 211 HB2 LEU 33 HB2 LEU 33 -1.568 1.203 -15.959 212 HB3 LEU 33 HB3 LEU 33 -2.330 -0.208 -16.270 213 HG LEU 33 HG LEU 33 -0.295 -1.375 -15.952 214 HD11 LEU 33 HD11 LEU 33 1.646 -0.279 -15.126 215 HD12 LEU 33 HD12 LEU 33 0.916 1.154 -15.293 216 HD13 LEU 33 HD13 LEU 33 1.273 0.271 -16.600 217 HD21 LEU 33 HD21 LEU 33 -0.156 -1.064 -13.563 218 HD22 LEU 33 HD22 LEU 33 -1.704 -1.071 -14.030 219 HD23 LEU 33 HD23 LEU 33 -0.966 0.329 -13.698 220 H ASN 34 H ASN 34 0.699 -0.128 -19.395 221 HA ASN 34 HA ASN 34 -0.336 -2.426 -20.527 222 HB2 ASN 34 HB2 ASN 34 1.383 -1.114 -21.587 223 HB3 ASN 34 HB3 ASN 34 2.438 -1.562 -20.424 224 HD21 ASN 34 HD21 ASN 34 3.618 -3.958 -22.641 225 HD22 ASN 34 HD22 ASN 34 3.974 -2.518 -21.745 226 H GLY 35 H GLY 35 -0.573 -4.460 -19.733 227 HA2 GLY 35 HA2 GLY 35 0.661 -6.304 -18.888 228 HA3 GLY 35 HA3 GLY 35 1.465 -5.306 -17.876 229 H TRP 36 H TRP 36 -1.303 -4.015 -17.347 230 HA TRP 36 HA TRP 36 -2.014 -5.665 -15.141 231 HB2 TRP 36 HB2 TRP 36 -2.692 -3.734 -14.473 232 HB3 TRP 36 HB3 TRP 36 -2.685 -3.130 -15.990 233 HD1 TRP 36 HD1 TRP 36 -5.038 -5.060 -13.793 234 HE1 TRP 36 HE1 TRP 36 -7.433 -4.513 -14.281 235 HE3 TRP 36 HE3 TRP 36 -4.200 -2.103 -17.719 236 HZ2 TRP 36 HZ2 TRP 36 -8.726 -2.956 -16.247 237 HZ3 TRP 36 HZ3 TRP 36 -6.073 -1.093 -18.837 238 HH2 TRP 36 HH2 TRP 36 -8.309 -1.500 -18.078 239 H ALA 37 H ALA 37 -3.473 -7.329 -15.047 240 HA ALA 37 HA ALA 37 -4.956 -7.913 -17.367 241 HB1 ALA 37 HB1 ALA 37 -2.676 -8.457 -18.079 242 HB2 ALA 37 HB2 ALA 37 -3.562 -9.810 -18.050 243 HB3 ALA 37 HB3 ALA 37 -2.541 -9.486 -16.839 244 H VAL 38 H VAL 38 -5.855 -10.222 -17.461 245 HA VAL 38 HA VAL 38 -6.024 -11.326 -14.791 246 HB VAL 38 HB VAL 38 -8.311 -11.390 -16.550 247 HG11 VAL 38 HG11 VAL 38 -9.529 -12.013 -14.567 248 HG12 VAL 38 HG12 VAL 38 -8.163 -11.945 -13.704 249 HG13 VAL 38 HG13 VAL 38 -8.343 -13.077 -14.844 250 HG21 VAL 38 HG21 VAL 38 -9.274 -9.605 -15.240 251 HG22 VAL 38 HG22 VAL 38 -7.924 -9.090 -15.966 252 HG23 VAL 38 HG23 VAL 38 -7.900 -9.481 -14.397 253 H GLN 39 H GLN 39 -5.592 -13.504 -14.645 254 HA GLN 39 HA GLN 39 -4.743 -14.775 -17.056 255 HB2 GLN 39 HB2 GLN 39 -4.594 -15.712 -14.336 256 HB3 GLN 39 HB3 GLN 39 -3.938 -16.504 -15.606 257 HG2 GLN 39 HG2 GLN 39 -2.546 -14.553 -15.966 258 HG3 GLN 39 HG3 GLN 39 -3.081 -13.996 -14.527 259 HE21 GLN 39 HE21 GLN 39 -1.308 -16.392 -12.555 260 HE22 GLN 39 HE22 GLN 39 -2.847 -15.601 -12.625 261 H TRP 40 H TRP 40 -5.459 -17.135 -17.492 262 HA TRP 40 HA TRP 40 -8.207 -17.511 -16.653 263 HB2 TRP 40 HB2 TRP 40 -8.759 -18.251 -18.674 264 HB3 TRP 40 HB3 TRP 40 -7.457 -17.378 -19.134 265 HD1 TRP 40 HD1 TRP 40 -5.159 -19.356 -18.499 266 HE1 TRP 40 HE1 TRP 40 -4.782 -21.521 -19.715 267 HE3 TRP 40 HE3 TRP 40 -9.748 -19.831 -20.384 268 HZ2 TRP 40 HZ2 TRP 40 -6.373 -23.121 -21.404 269 HZ3 TRP 40 HZ3 TRP 40 -10.231 -21.674 -21.826 270 HH2 TRP 40 HH2 TRP 40 -8.558 -23.311 -22.313 271 H GLN 41 H GLN 41 -8.918 -19.845 -16.466 272 HA GLN 41 HA GLN 41 -6.769 -21.341 -15.249 273 HB2 GLN 41 HB2 GLN 41 -8.589 -20.649 -13.769 274 HB3 GLN 41 HB3 GLN 41 -9.581 -21.625 -14.623 275 HG2 GLN 41 HG2 GLN 41 -8.895 -22.675 -12.608 276 HG3 GLN 41 HG3 GLN 41 -8.372 -23.518 -13.905 277 HE21 GLN 41 HE21 GLN 41 -5.125 -23.628 -12.813 278 HE22 GLN 41 HE22 GLN 41 -6.460 -24.444 -13.556 279 HA PRO 42 HA PRO 42 -7.771 -23.948 -18.636 280 HB2 PRO 42 HB2 PRO 42 -5.650 -25.610 -18.568 281 HB3 PRO 42 HB3 PRO 42 -5.481 -24.121 -19.217 282 HG2 PRO 42 HG2 PRO 42 -4.821 -24.961 -16.573 283 HG3 PRO 42 HG3 PRO 42 -3.919 -24.059 -17.593 284 HD2 PRO 42 HD2 PRO 42 -5.313 -22.897 -15.726 285 HD3 PRO 42 HD3 PRO 42 -5.135 -22.167 -17.176 286 H GLY 43 H GLY 43 -8.758 -25.880 -19.028 287 HA2 GLY 43 HA2 GLY 43 -9.097 -27.470 -16.633 288 HA3 GLY 43 HA3 GLY 43 -10.275 -27.245 -17.741 289 H GLY 44 H GLY 44 -9.794 -29.785 -16.992 290 HA2 GLY 44 HA2 GLY 44 -7.781 -31.003 -18.513 291 HA3 GLY 44 HA3 GLY 44 -8.970 -31.775 -17.703 292 H GLY 45 H GLY 45 -7.707 -31.194 -20.671 293 HA2 GLY 45 HA2 GLY 45 -8.485 -31.954 -22.665 294 HA3 GLY 45 HA3 GLY 45 -9.838 -32.516 -21.943 295 H THR 46 H THR 46 -9.053 -29.264 -21.476 296 HA THR 46 HA THR 46 -11.017 -28.464 -23.434 297 HB THR 46 HB THR 46 -11.515 -28.155 -20.897 298 HG1 THR 46 HG1 THR 46 -12.300 -26.696 -23.060 299 HG21 THR 46 HG21 THR 46 -11.059 -25.905 -20.208 300 HG22 THR 46 HG22 THR 46 -10.257 -25.629 -21.585 301 HG23 THR 46 HG23 THR 46 -9.657 -26.658 -20.492 302 H THR 47 H THR 47 -10.684 -26.282 -24.397 303 HA THR 47 HA THR 47 -8.007 -25.309 -24.108 304 HB THR 47 HB THR 47 -7.925 -26.929 -25.955 305 HG1 THR 47 HG1 THR 47 -6.344 -25.855 -26.685 306 HG21 THR 47 HG21 THR 47 -8.863 -26.268 -28.059 307 HG22 THR 47 HG22 THR 47 -9.511 -24.954 -27.375 308 HG23 THR 47 HG23 THR 47 -10.057 -26.424 -26.981 309 H LEU 48 H LEU 48 -7.734 -23.156 -25.326 310 HA LEU 48 HA LEU 48 -10.178 -21.699 -25.110 311 HB2 LEU 48 HB2 LEU 48 -8.863 -19.765 -25.235 312 HB3 LEU 48 HB3 LEU 48 -8.151 -20.795 -24.186 313 HG LEU 48 HG LEU 48 -7.074 -21.146 -26.699 314 HD11 LEU 48 HD11 LEU 48 -6.055 -18.981 -26.956 315 HD12 LEU 48 HD12 LEU 48 -6.896 -18.429 -25.690 316 HD13 LEU 48 HD13 LEU 48 -7.663 -18.843 -27.052 317 HD21 LEU 48 HD21 LEU 48 -5.019 -20.822 -25.532 318 HD22 LEU 48 HD22 LEU 48 -5.970 -21.836 -24.706 319 HD23 LEU 48 HD23 LEU 48 -5.829 -20.296 -24.235 320 H GLY 49 H GLY 49 -11.031 -20.286 -26.801 321 HA2 GLY 49 HA2 GLY 49 -10.292 -21.253 -29.424 322 HA3 GLY 49 HA3 GLY 49 -11.748 -20.616 -29.048 323 H GLY 50 H GLY 50 -11.745 -18.321 -28.229 324 HA2 GLY 50 HA2 GLY 50 -9.641 -16.774 -29.441 325 HA3 GLY 50 HA3 GLY 50 -11.189 -16.447 -29.846 326 H VAL 51 H VAL 51 -9.577 -14.501 -28.795 327 HA VAL 51 HA VAL 51 -10.747 -14.070 -26.195 328 HB VAL 51 HB VAL 51 -8.107 -13.216 -27.037 329 HG11 VAL 51 HG11 VAL 51 -7.822 -12.271 -24.865 330 HG12 VAL 51 HG12 VAL 51 -9.352 -12.641 -24.495 331 HG13 VAL 51 HG13 VAL 51 -9.039 -11.538 -25.635 332 HG21 VAL 51 HG21 VAL 51 -7.297 -14.677 -25.315 333 HG22 VAL 51 HG22 VAL 51 -8.148 -15.519 -26.402 334 HG23 VAL 51 HG23 VAL 51 -8.814 -15.128 -24.981 335 H TRP 52 H TRP 52 -11.690 -11.971 -25.873 336 HA TRP 52 HA TRP 52 -11.493 -10.239 -28.140 337 HB2 TRP 52 HB2 TRP 52 -13.972 -9.885 -27.934 338 HB3 TRP 52 HB3 TRP 52 -13.471 -11.250 -28.677 339 HD1 TRP 52 HD1 TRP 52 -14.100 -13.542 -27.540 340 HE1 TRP 52 HE1 TRP 52 -15.729 -14.247 -25.774 341 HE3 TRP 52 HE3 TRP 52 -14.851 -9.031 -25.542 342 HZ2 TRP 52 HZ2 TRP 52 -17.127 -12.896 -23.753 343 HZ3 TRP 52 HZ3 TRP 52 -16.377 -8.827 -23.705 344 HH2 TRP 52 HH2 TRP 52 -17.498 -10.739 -22.823 345 H ASN 53 H ASN 53 -12.090 -8.031 -27.907 346 HA ASN 53 HA ASN 53 -11.904 -6.137 -26.834 347 HB2 ASN 53 HB2 ASN 53 -13.336 -7.529 -24.735 348 HB3 ASN 53 HB3 ASN 53 -13.075 -5.919 -24.653 349 HD21 ASN 53 HD21 ASN 53 -16.425 -6.112 -25.909 350 HD22 ASN 53 HD22 ASN 53 -15.579 -6.395 -24.425 351 H GLY 54 H GLY 54 -9.675 -7.894 -26.617 352 HA2 GLY 54 HA2 GLY 54 -8.060 -6.281 -25.088 353 HA3 GLY 54 HA3 GLY 54 -8.426 -7.584 -24.174 354 H SER 55 H SER 55 -5.803 -7.198 -24.713 355 HA SER 55 HA SER 55 -5.113 -8.830 -26.957 356 HB2 SER 55 HB2 SER 55 -3.348 -7.534 -25.056 357 HB3 SER 55 HB3 SER 55 -2.844 -8.268 -26.425 358 HG SER 55 HG SER 55 -3.956 -6.786 -27.636 359 H LEU 56 H LEU 56 -3.882 -10.829 -26.794 360 HA LEU 56 HA LEU 56 -4.180 -12.050 -24.206 361 HB2 LEU 56 HB2 LEU 56 -4.334 -14.156 -25.250 362 HB3 LEU 56 HB3 LEU 56 -5.510 -13.149 -25.772 363 HG LEU 56 HG LEU 56 -3.210 -13.463 -27.417 364 HD11 LEU 56 HD11 LEU 56 -4.218 -15.432 -28.404 365 HD12 LEU 56 HD12 LEU 56 -5.397 -15.381 -27.299 366 HD13 LEU 56 HD13 LEU 56 -3.881 -15.716 -26.848 367 HD21 LEU 56 HD21 LEU 56 -4.768 -13.094 -29.189 368 HD22 LEU 56 HD22 LEU 56 -4.861 -11.886 -28.119 369 HD23 LEU 56 HD23 LEU 56 -5.985 -13.048 -28.125 370 H THR 57 H THR 57 -2.501 -13.113 -23.202 371 HA THR 57 HA THR 57 -0.037 -13.284 -24.618 372 HB THR 57 HB THR 57 1.150 -12.217 -22.667 373 HG1 THR 57 HG1 THR 57 -1.450 -11.754 -21.952 374 HG21 THR 57 HG21 THR 57 0.678 -9.963 -23.343 375 HG22 THR 57 HG22 THR 57 -0.671 -10.450 -24.090 376 HG23 THR 57 HG23 THR 57 0.775 -10.886 -24.667 377 H SER 58 H SER 58 1.720 -14.350 -23.071 378 HA SER 58 HA SER 58 0.567 -16.505 -21.668 379 HB2 SER 58 HB2 SER 58 3.036 -16.785 -20.986 380 HB3 SER 58 HB3 SER 58 2.651 -17.044 -22.553 381 HG SER 58 HG SER 58 4.399 -15.720 -22.460 382 H GLY 59 H GLY 59 0.952 -16.995 -19.327 383 HA2 GLY 59 HA2 GLY 59 1.042 -14.525 -17.807 384 HA3 GLY 59 HA3 GLY 59 0.074 -15.779 -17.409 385 H SER 60 H SER 60 1.453 -14.916 -15.403 386 HA SER 60 HA SER 60 4.027 -15.940 -15.213 387 HB2 SER 60 HB2 SER 60 3.605 -15.412 -12.746 388 HB3 SER 60 HB3 SER 60 3.518 -14.145 -13.773 389 HG SER 60 HG SER 60 1.614 -13.855 -13.068 390 H ASP 61 H ASP 61 0.992 -17.285 -14.676 391 HA ASP 61 HA ASP 61 1.948 -19.410 -13.055 392 HB2 ASP 61 HB2 ASP 61 -0.274 -18.309 -12.809 393 HB3 ASP 61 HB3 ASP 61 -0.741 -19.213 -14.086 394 H GLY 62 H GLY 62 2.287 -18.921 -16.152 395 HA2 GLY 62 HA2 GLY 62 2.835 -20.411 -17.780 396 HA3 GLY 62 HA3 GLY 62 2.443 -21.663 -16.808 397 H THR 63 H THR 63 0.074 -19.336 -17.057 398 HA THR 63 HA THR 63 -1.497 -21.026 -18.794 399 HB THR 63 HB THR 63 -3.448 -19.994 -17.743 400 HG1 THR 63 HG1 THR 63 -2.681 -18.002 -17.301 401 HG21 THR 63 HG21 THR 63 -3.191 -20.937 -15.563 402 HG22 THR 63 HG22 THR 63 -1.588 -21.001 -15.759 403 HG23 THR 63 HG23 THR 63 -2.549 -21.953 -16.644 404 H VAL 64 H VAL 64 -3.394 -19.442 -19.887 405 HA VAL 64 HA VAL 64 -1.882 -17.340 -21.099 406 HB VAL 64 HB VAL 64 -3.582 -17.168 -22.781 407 HG11 VAL 64 HG11 VAL 64 -3.141 -19.279 -23.836 408 HG12 VAL 64 HG12 VAL 64 -2.607 -19.875 -22.431 409 HG13 VAL 64 HG13 VAL 64 -1.783 -18.700 -23.176 410 HG21 VAL 64 HG21 VAL 64 -5.376 -18.714 -22.845 411 HG22 VAL 64 HG22 VAL 64 -5.478 -17.791 -21.521 412 HG23 VAL 64 HG23 VAL 64 -4.927 -19.308 -21.410 413 H THR 65 H THR 65 -2.912 -15.200 -21.467 414 HA THR 65 HA THR 65 -4.454 -14.409 -19.170 415 HB THR 65 HB THR 65 -1.846 -13.231 -19.817 416 HG1 THR 65 HG1 THR 65 -1.664 -14.230 -17.496 417 HG21 THR 65 HG21 THR 65 -2.039 -12.032 -17.773 418 HG22 THR 65 HG22 THR 65 -3.488 -12.696 -17.498 419 HG23 THR 65 HG23 THR 65 -3.294 -11.655 -18.720 420 H VAL 66 H VAL 66 -5.798 -12.605 -19.484 421 HA VAL 66 HA VAL 66 -5.538 -11.450 -22.092 422 HB VAL 66 HB VAL 66 -7.906 -11.273 -20.413 423 HG11 VAL 66 HG11 VAL 66 -9.048 -10.564 -22.399 424 HG12 VAL 66 HG12 VAL 66 -7.663 -10.640 -23.230 425 HG13 VAL 66 HG13 VAL 66 -7.844 -9.541 -22.058 426 HG21 VAL 66 HG21 VAL 66 -8.866 -13.009 -21.769 427 HG22 VAL 66 HG22 VAL 66 -7.548 -13.563 -21.013 428 HG23 VAL 66 HG23 VAL 66 -7.472 -13.155 -22.575 429 H ARG 67 H ARG 67 -4.932 -9.284 -22.297 430 HA ARG 67 HA ARG 67 -5.020 -7.731 -19.898 431 HB2 ARG 67 HB2 ARG 67 -2.768 -7.098 -20.064 432 HB3 ARG 67 HB3 ARG 67 -2.786 -8.720 -20.248 433 HG2 ARG 67 HG2 ARG 67 -2.549 -8.450 -22.582 434 HG3 ARG 67 HG3 ARG 67 -2.506 -6.829 -22.384 435 HD2 ARG 67 HD2 ARG 67 -0.558 -7.198 -20.924 436 HD3 ARG 67 HD3 ARG 67 -0.529 -8.725 -21.502 437 HE ARG 67 HE ARG 67 -0.520 -7.003 -23.658 438 HH11 ARG 67 HH11 ARG 67 1.390 -6.530 -24.754 439 HH12 ARG 67 HH12 ARG 67 2.923 -6.865 -24.019 440 HH21 ARG 67 HH21 ARG 67 1.588 -8.129 -21.072 441 HH22 ARG 67 HH22 ARG 67 3.035 -7.764 -21.950 442 H ASN 68 H ASN 68 -4.401 -5.384 -20.213 443 HA ASN 68 HA ASN 68 -4.721 -3.491 -21.210 444 HB2 ASN 68 HB2 ASN 68 -3.863 -4.926 -23.598 445 HB3 ASN 68 HB3 ASN 68 -3.973 -3.296 -23.584 446 HD21 ASN 68 HD21 ASN 68 -0.481 -3.689 -23.088 447 HD22 ASN 68 HD22 ASN 68 -1.683 -3.582 -24.330 448 H VAL 69 H VAL 69 -6.881 -3.039 -20.865 449 HA VAL 69 HA VAL 69 -8.876 -3.774 -22.562 450 HB VAL 69 HB VAL 69 -8.677 -1.390 -20.914 451 HG11 VAL 69 HG11 VAL 69 -11.001 -0.952 -21.240 452 HG12 VAL 69 HG12 VAL 69 -11.080 -2.148 -22.326 453 HG13 VAL 69 HG13 VAL 69 -10.208 -0.824 -22.644 454 HG21 VAL 69 HG21 VAL 69 -10.251 -2.557 -19.490 455 HG22 VAL 69 HG22 VAL 69 -8.934 -3.468 -19.709 456 HG23 VAL 69 HG23 VAL 69 -10.285 -3.789 -20.537 457 H ASP 70 H ASP 70 -9.374 -3.271 -24.652 458 HA ASP 70 HA ASP 70 -8.230 -0.861 -25.713 459 HB2 ASP 70 HB2 ASP 70 -8.288 -1.950 -27.901 460 HB3 ASP 70 HB3 ASP 70 -7.249 -2.646 -26.851 461 H HIS 71 H HIS 71 -11.004 -2.208 -24.736 462 HA HIS 71 HA HIS 71 -12.637 -1.122 -26.776 463 HB2 HIS 71 HB2 HIS 71 -14.469 -2.209 -25.668 464 HB3 HIS 71 HB3 HIS 71 -13.245 -3.263 -25.911 465 HD1 HIS 71 HD1 HIS 71 -14.820 -1.265 -23.178 466 HD2 HIS 71 HD2 HIS 71 -12.278 -4.437 -23.636 467 HE1 HIS 71 HE1 HIS 71 -14.497 -2.337 -20.955 468 HE2 HIS 71 HE2 HIS 71 -12.967 -4.270 -21.204 469 H ASN 72 H ASN 72 -11.117 0.386 -24.643 470 HA ASN 72 HA ASN 72 -13.258 1.905 -23.538 471 HB2 ASN 72 HB2 ASN 72 -11.603 2.904 -22.138 472 HB3 ASN 72 HB3 ASN 72 -11.359 1.289 -22.132 473 HD21 ASN 72 HD21 ASN 72 -8.280 3.479 -22.828 474 HD22 ASN 72 HD22 ASN 72 -9.612 3.750 -21.754 475 H ARG 73 H ARG 73 -12.067 1.913 -26.385 476 HA ARG 73 HA ARG 73 -11.062 4.439 -26.741 477 HB2 ARG 73 HB2 ARG 73 -12.226 2.574 -28.635 478 HB3 ARG 73 HB3 ARG 73 -11.616 3.996 -29.158 479 HG2 ARG 73 HG2 ARG 73 -9.913 2.282 -27.659 480 HG3 ARG 73 HG3 ARG 73 -10.182 1.922 -29.229 481 HD2 ARG 73 HD2 ARG 73 -9.406 4.127 -29.807 482 HD3 ARG 73 HD3 ARG 73 -9.011 4.356 -28.239 483 HE ARG 73 HE ARG 73 -7.770 2.041 -29.053 484 HH11 ARG 73 HH11 ARG 73 -5.611 1.993 -29.647 485 HH12 ARG 73 HH12 ARG 73 -4.786 3.455 -30.072 486 HH21 ARG 73 HH21 ARG 73 -7.568 5.498 -29.671 487 HH22 ARG 73 HH22 ARG 73 -5.888 5.430 -30.085 488 H VAL 74 H VAL 74 -14.237 3.361 -26.549 489 HA VAL 74 HA VAL 74 -15.295 5.628 -27.868 490 HB VAL 74 HB VAL 74 -16.380 3.599 -28.382 491 HG11 VAL 74 HG11 VAL 74 -17.494 2.258 -26.726 492 HG12 VAL 74 HG12 VAL 74 -16.972 3.255 -25.565 493 HG13 VAL 74 HG13 VAL 74 -15.914 2.357 -26.395 494 HG21 VAL 74 HG21 VAL 74 -18.659 4.090 -27.939 495 HG22 VAL 74 HG22 VAL 74 -17.867 5.416 -28.417 496 HG23 VAL 74 HG23 VAL 74 -18.210 5.199 -26.852 497 H VAL 75 H VAL 75 -15.278 4.235 -24.707 498 HA VAL 75 HA VAL 75 -15.879 6.796 -23.548 499 HB VAL 75 HB VAL 75 -17.218 4.357 -22.778 500 HG11 VAL 75 HG11 VAL 75 -18.151 5.570 -20.907 501 HG12 VAL 75 HG12 VAL 75 -17.246 6.855 -21.288 502 HG13 VAL 75 HG13 VAL 75 -16.542 5.496 -20.767 503 HG21 VAL 75 HG21 VAL 75 -19.238 5.591 -23.149 504 HG22 VAL 75 HG22 VAL 75 -18.354 5.549 -24.502 505 HG23 VAL 75 HG23 VAL 75 -18.371 6.884 -23.589 506 HA PRO 76 HA PRO 76 -12.228 5.322 -21.576 507 HB2 PRO 76 HB2 PRO 76 -11.715 7.369 -19.922 508 HB3 PRO 76 HB3 PRO 76 -11.401 7.523 -21.517 509 HG2 PRO 76 HG2 PRO 76 -13.700 8.406 -20.091 510 HG3 PRO 76 HG3 PRO 76 -12.831 9.228 -21.203 511 HD2 PRO 76 HD2 PRO 76 -15.063 8.068 -21.889 512 HD3 PRO 76 HD3 PRO 76 -13.824 8.140 -22.950 513 HA PRO 77 HA PRO 77 -13.668 3.482 -18.061 514 HB2 PRO 77 HB2 PRO 77 -11.536 2.702 -16.689 515 HB3 PRO 77 HB3 PRO 77 -11.769 2.060 -18.172 516 HG2 PRO 77 HG2 PRO 77 -10.086 4.284 -17.482 517 HG3 PRO 77 HG3 PRO 77 -9.694 2.994 -18.404 518 HD2 PRO 77 HD2 PRO 77 -10.411 5.229 -19.502 519 HD3 PRO 77 HD3 PRO 77 -10.781 3.803 -20.206 520 H ASP 78 H ASP 78 -14.546 3.723 -16.147 521 HA ASP 78 HA ASP 78 -13.366 5.675 -14.409 522 HB2 ASP 78 HB2 ASP 78 -15.616 6.625 -14.010 523 HB3 ASP 78 HB3 ASP 78 -14.978 6.986 -15.469 524 H GLY 79 H GLY 79 -13.937 2.696 -14.648 525 HA2 GLY 79 HA2 GLY 79 -14.456 2.221 -11.937 526 HA3 GLY 79 HA3 GLY 79 -15.765 1.862 -12.845 527 H SER 80 H SER 80 -15.599 -0.356 -12.190 528 HA SER 80 HA SER 80 -13.385 -1.877 -12.947 529 HB2 SER 80 HB2 SER 80 -14.968 -3.763 -12.624 530 HB3 SER 80 HB3 SER 80 -14.828 -2.783 -11.325 531 HG SER 80 HG SER 80 -16.662 -1.633 -12.365 532 H VAL 81 H VAL 81 -13.097 -3.336 -14.701 533 HA VAL 81 HA VAL 81 -14.799 -2.832 -16.958 534 HB VAL 81 HB VAL 81 -12.824 -2.551 -18.402 535 HG11 VAL 81 HG11 VAL 81 -12.401 -0.278 -17.846 536 HG12 VAL 81 HG12 VAL 81 -13.105 -0.493 -16.406 537 HG13 VAL 81 HG13 VAL 81 -13.985 -0.591 -17.759 538 HG21 VAL 81 HG21 VAL 81 -10.708 -2.052 -17.330 539 HG22 VAL 81 HG22 VAL 81 -11.180 -3.545 -16.927 540 HG23 VAL 81 HG23 VAL 81 -11.373 -2.327 -15.882 541 H THR 82 H THR 82 -14.608 -4.459 -18.727 542 HA THR 82 HA THR 82 -13.860 -6.925 -17.481 543 HB THR 82 HB THR 82 -16.297 -6.697 -17.779 544 HG1 THR 82 HG1 THR 82 -16.665 -8.715 -18.255 545 HG21 THR 82 HG21 THR 82 -17.214 -6.828 -19.995 546 HG22 THR 82 HG22 THR 82 -15.726 -6.841 -20.628 547 HG23 THR 82 HG23 THR 82 -16.281 -5.511 -19.894 548 H PHE 83 H PHE 83 -13.103 -8.721 -18.682 549 HA PHE 83 HA PHE 83 -12.405 -8.162 -21.433 550 HB2 PHE 83 HB2 PHE 83 -10.922 -9.795 -19.586 551 HB3 PHE 83 HB3 PHE 83 -10.626 -9.784 -21.191 552 HD1 PHE 83 HD1 PHE 83 -9.848 -7.614 -22.252 553 HD2 PHE 83 HD2 PHE 83 -9.907 -8.221 -18.154 554 HE1 PHE 83 HE1 PHE 83 -8.206 -5.901 -21.965 555 HE2 PHE 83 HE2 PHE 83 -8.331 -6.451 -17.864 556 HZ PHE 83 HZ PHE 83 -7.443 -5.331 -19.778 557 H GLY 84 H GLY 84 -12.346 -10.418 -22.710 558 HA2 GLY 84 HA2 GLY 84 -13.719 -12.502 -21.361 559 HA3 GLY 84 HA3 GLY 84 -14.582 -11.829 -22.572 560 H PHE 85 H PHE 85 -14.015 -14.507 -22.563 561 HA PHE 85 HA PHE 85 -12.607 -14.745 -25.029 562 HB2 PHE 85 HB2 PHE 85 -11.112 -16.435 -24.202 563 HB3 PHE 85 HB3 PHE 85 -10.810 -14.982 -23.518 564 HD1 PHE 85 HD1 PHE 85 -11.187 -14.607 -21.173 565 HD2 PHE 85 HD2 PHE 85 -12.082 -18.256 -22.896 566 HE1 PHE 85 HE1 PHE 85 -11.466 -15.560 -19.007 567 HE2 PHE 85 HE2 PHE 85 -12.261 -19.248 -20.728 568 HZ PHE 85 HZ PHE 85 -11.979 -17.898 -18.777 569 H THR 86 H THR 86 -12.714 -17.158 -25.789 570 HA THR 86 HA THR 86 -14.999 -18.432 -24.603 571 HB THR 86 HB THR 86 -15.725 -17.543 -26.735 572 HG1 THR 86 HG1 THR 86 -16.978 -19.141 -26.580 573 HG21 THR 86 HG21 THR 86 -14.784 -18.407 -28.757 574 HG22 THR 86 HG22 THR 86 -13.734 -19.300 -27.911 575 HG23 THR 86 HG23 THR 86 -13.608 -17.688 -27.911 576 H ALA 87 H ALA 87 -15.057 -20.742 -24.603 577 HA ALA 87 HA ALA 87 -12.488 -21.937 -25.115 578 HB1 ALA 87 HB1 ALA 87 -12.586 -21.519 -22.734 579 HB2 ALA 87 HB2 ALA 87 -12.610 -23.117 -22.983 580 HB3 ALA 87 HB3 ALA 87 -13.981 -22.332 -22.636 581 H THR 88 H THR 88 -12.469 -24.157 -25.674 582 HA THR 88 HA THR 88 -15.086 -25.314 -26.062 583 HB THR 88 HB THR 88 -13.948 -26.450 -28.063 584 HG1 THR 88 HG1 THR 88 -11.973 -25.842 -28.203 585 HG21 THR 88 HG21 THR 88 -14.690 -24.671 -29.495 586 HG22 THR 88 HG22 THR 88 -14.722 -23.651 -28.241 587 HG23 THR 88 HG23 THR 88 -15.782 -24.869 -28.320 588 H SER 89 H SER 89 -14.897 -27.830 -26.246 589 HA SER 89 HA SER 89 -12.621 -28.743 -24.816 590 HB2 SER 89 HB2 SER 89 -14.405 -28.246 -23.154 591 HB3 SER 89 HB3 SER 89 -15.264 -29.469 -23.813 592 HG SER 89 HG SER 89 -13.469 -29.628 -21.974 593 H THR 90 H THR 90 -12.139 -30.975 -24.871 594 HA THR 90 HA THR 90 -13.711 -32.429 -26.787 595 HB THR 90 HB THR 90 -11.710 -33.808 -27.137 596 HG1 THR 90 HG1 THR 90 -10.945 -32.990 -24.959 597 HG21 THR 90 HG21 THR 90 -10.453 -32.135 -28.366 598 HG22 THR 90 HG22 THR 90 -11.222 -30.956 -27.569 599 HG23 THR 90 HG23 THR 90 -12.030 -31.883 -28.619 600 H GLY 91 H GLY 91 -13.189 -32.067 -23.639 601 HA2 GLY 91 HA2 GLY 91 -13.915 -34.779 -23.014 602 HA3 GLY 91 HA3 GLY 91 -12.635 -34.115 -22.248 603 H ASN 92 H ASN 92 -13.000 -32.060 -21.047 604 HA ASN 92 HA ASN 92 -15.537 -32.254 -19.720 605 HB2 ASN 92 HB2 ASN 92 -13.047 -31.274 -18.625 606 HB3 ASN 92 HB3 ASN 92 -14.445 -31.333 -17.783 607 HD21 ASN 92 HD21 ASN 92 -12.051 -34.511 -17.980 608 HD22 ASN 92 HD22 ASN 92 -11.664 -32.980 -18.691 609 H ASP 93 H ASP 93 -16.938 -30.633 -20.274 610 HA ASP 93 HA ASP 93 -15.806 -28.130 -21.046 611 HB2 ASP 93 HB2 ASP 93 -18.103 -27.608 -21.777 612 HB3 ASP 93 HB3 ASP 93 -17.403 -28.853 -22.569 613 H PHE 94 H PHE 94 -16.817 -29.501 -18.319 614 HA PHE 94 HA PHE 94 -18.144 -27.449 -17.054 615 HB2 PHE 94 HB2 PHE 94 -16.437 -29.460 -15.828 616 HB3 PHE 94 HB3 PHE 94 -17.506 -28.551 -14.993 617 HD1 PHE 94 HD1 PHE 94 -19.966 -28.833 -15.504 618 HD2 PHE 94 HD2 PHE 94 -17.089 -31.515 -16.742 619 HE1 PHE 94 HE1 PHE 94 -21.657 -30.517 -15.799 620 HE2 PHE 94 HE2 PHE 94 -18.758 -33.176 -17.104 621 HZ PHE 94 HZ PHE 94 -21.045 -32.709 -16.566 622 HA PRO 95 HA PRO 95 -14.716 -24.668 -16.567 623 HB2 PRO 95 HB2 PRO 95 -16.467 -23.316 -14.698 624 HB3 PRO 95 HB3 PRO 95 -15.700 -22.636 -15.970 625 HG2 PRO 95 HG2 PRO 95 -18.212 -23.025 -16.105 626 HG3 PRO 95 HG3 PRO 95 -17.298 -23.290 -17.432 627 HD2 PRO 95 HD2 PRO 95 -18.339 -25.246 -15.612 628 HD3 PRO 95 HD3 PRO 95 -18.294 -25.326 -17.243 629 H VAL 96 H VAL 96 -13.217 -23.989 -14.874 630 HA VAL 96 HA VAL 96 -13.198 -26.080 -12.951 631 HB VAL 96 HB VAL 96 -11.005 -24.269 -13.667 632 HG11 VAL 96 HG11 VAL 96 -9.549 -25.734 -12.434 633 HG12 VAL 96 HG12 VAL 96 -10.815 -26.638 -11.993 634 HG13 VAL 96 HG13 VAL 96 -10.670 -25.126 -11.439 635 HG21 VAL 96 HG21 VAL 96 -10.084 -26.102 -14.865 636 HG22 VAL 96 HG22 VAL 96 -11.543 -25.733 -15.454 637 HG23 VAL 96 HG23 VAL 96 -11.365 -27.010 -14.479 638 H ASP 97 H ASP 97 -11.927 -22.832 -12.645 639 HA ASP 97 HA ASP 97 -13.591 -22.309 -10.426 640 HB2 ASP 97 HB2 ASP 97 -11.659 -23.544 -9.498 641 HB3 ASP 97 HB3 ASP 97 -10.738 -22.259 -9.908 642 H SER 98 H SER 98 -13.100 -20.126 -9.386 643 HA SER 98 HA SER 98 -12.901 -18.212 -11.384 644 HB2 SER 98 HB2 SER 98 -12.726 -16.914 -8.969 645 HB3 SER 98 HB3 SER 98 -14.117 -17.159 -9.789 646 HG SER 98 HG SER 98 -14.655 -18.775 -8.564 647 H ILE 99 H ILE 99 -11.484 -16.223 -11.279 648 HA ILE 99 HA ILE 99 -8.855 -16.997 -10.465 649 HB ILE 99 HB ILE 99 -8.031 -15.950 -12.662 650 HG12 ILE 99 HG12 ILE 99 -10.536 -15.399 -12.995 651 HG13 ILE 99 HG13 ILE 99 -9.435 -15.435 -14.200 652 HG21 ILE 99 HG21 ILE 99 -8.109 -18.068 -13.739 653 HG22 ILE 99 HG22 ILE 99 -9.221 -18.579 -12.683 654 HG23 ILE 99 HG23 ILE 99 -7.718 -18.257 -12.182 655 HD11 ILE 99 HD11 ILE 99 -11.396 -16.603 -14.850 656 HD12 ILE 99 HD12 ILE 99 -11.244 -17.599 -13.585 657 HD13 ILE 99 HD13 ILE 99 -10.154 -17.635 -14.779 658 H GLY 100 H GLY 100 -7.248 -15.247 -10.282 659 HA2 GLY 100 HA2 GLY 100 -8.546 -12.727 -9.705 660 HA3 GLY 100 HA3 GLY 100 -7.184 -13.256 -8.975 661 H CYS 101 H CYS 101 -6.979 -10.754 -9.874 662 HA CYS 101 HA CYS 101 -6.043 -10.800 -12.531 663 HB2 CYS 101 HB2 CYS 101 -5.867 -8.530 -12.408 664 HB3 CYS 101 HB3 CYS 101 -7.219 -8.932 -11.585 665 H VAL 102 H VAL 102 -3.928 -10.016 -13.251 666 HA VAL 102 HA VAL 102 -1.903 -10.136 -11.203 667 HB VAL 102 HB VAL 102 -0.315 -10.817 -12.925 668 HG11 VAL 102 HG11 VAL 102 -0.957 -13.153 -12.812 669 HG12 VAL 102 HG12 VAL 102 -2.436 -12.718 -12.325 670 HG13 VAL 102 HG13 VAL 102 -1.159 -12.451 -11.370 671 HG21 VAL 102 HG21 VAL 102 -1.135 -11.824 -14.929 672 HG22 VAL 102 HG22 VAL 102 -1.513 -10.252 -14.890 673 HG23 VAL 102 HG23 VAL 102 -2.638 -11.363 -14.550 674 H ALA 103 H ALA 103 -0.074 -8.655 -11.507 675 HA ALA 103 HA ALA 103 -0.732 -6.393 -13.167 676 HB1 ALA 103 HB1 ALA 103 -1.734 -5.908 -11.046 677 HB2 ALA 103 HB2 ALA 103 -0.509 -4.885 -11.302 678 HB3 ALA 103 HB3 ALA 103 -0.316 -6.145 -10.307 679 HA PRO 104 HA PRO 104 3.579 -6.375 -13.717 680 HB2 PRO 104 HB2 PRO 104 4.024 -4.002 -14.784 681 HB3 PRO 104 HB3 PRO 104 3.100 -5.051 -15.628 682 HG2 PRO 104 HG2 PRO 104 2.217 -2.955 -13.898 683 HG3 PRO 104 HG3 PRO 104 1.715 -3.265 -15.421 684 HD2 PRO 104 HD2 PRO 104 0.330 -4.116 -13.388 685 HD3 PRO 104 HD3 PRO 104 0.403 -5.002 -14.758
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