NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
459885 | 1x5l | 11208 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 18.119 9.590 24.780 2 HA2 GLY 1 1HA GLY 1 19.228 11.883 25.325 3 HA3 GLY 1 2HA GLY 1 20.340 10.859 26.221 4 H SER 2 H SER 2 21.113 8.899 24.803 5 HA SER 2 HA SER 2 21.529 9.651 22.022 6 HB2 SER 2 1HB SER 2 23.847 9.231 23.925 7 HB3 SER 2 2HB SER 2 23.975 9.475 22.183 8 HG SER 2 HG SER 2 23.022 11.313 24.121 9 H SER 3 H SER 3 20.766 7.851 21.102 10 HA SER 3 HA SER 3 21.277 5.244 22.263 11 HB2 SER 3 1HB SER 3 19.681 6.174 19.876 12 HB3 SER 3 2HB SER 3 19.926 4.466 20.239 13 HG SER 3 HG SER 3 18.365 4.653 21.615 14 H GLY 4 H GLY 4 22.914 3.961 21.727 15 HA2 GLY 4 1HA GLY 4 24.682 4.749 19.556 16 HA3 GLY 4 2HA GLY 4 24.993 3.504 20.757 17 H SER 5 H SER 5 24.967 3.719 17.667 18 HA SER 5 HA SER 5 24.174 1.015 17.219 19 HB2 SER 5 1HB SER 5 22.389 3.243 16.291 20 HB3 SER 5 2HB SER 5 22.521 1.766 15.338 21 HG SER 5 HG SER 5 22.016 0.657 17.383 22 H SER 6 H SER 6 24.345 0.474 14.813 23 HA SER 6 HA SER 6 26.057 2.276 13.304 24 HB2 SER 6 1HB SER 6 26.963 -0.484 14.156 25 HB3 SER 6 2HB SER 6 27.778 0.508 12.947 26 HG SER 6 HG SER 6 27.274 1.477 15.550 27 H GLY 7 H GLY 7 26.050 1.891 11.095 28 HA2 GLY 7 1HA GLY 7 25.459 -0.232 9.586 29 HA3 GLY 7 2HA GLY 7 23.863 0.208 10.175 30 H GLN 8 H GLN 8 23.154 0.665 8.063 31 HA GLN 8 HA GLN 8 24.390 3.011 6.793 32 HB2 GLN 8 1HB GLN 8 22.778 0.717 5.723 33 HB3 GLN 8 2HB GLN 8 22.868 2.230 4.831 34 HG2 GLN 8 1HG GLN 8 25.248 0.593 5.675 35 HG3 GLN 8 2HG GLN 8 24.500 0.542 4.079 36 HE21 GLN 8 1HE2 GLN 8 24.404 2.614 2.906 37 HE22 GLN 8 2HE2 GLN 8 25.728 3.710 3.077 38 H ALA 9 H ALA 9 22.808 4.451 5.615 39 HA ALA 9 HA ALA 9 20.878 5.412 7.486 40 HB1 ALA 9 1HB ALA 9 20.762 7.287 6.194 41 HB2 ALA 9 2HB ALA 9 22.324 6.664 5.662 42 HB3 ALA 9 3HB ALA 9 20.884 6.389 4.681 43 H ALA 10 H ALA 10 18.611 5.691 7.111 44 HA ALA 10 HA ALA 10 17.381 3.353 5.995 45 HB1 ALA 10 1HB ALA 10 16.706 5.115 7.981 46 HB2 ALA 10 2HB ALA 10 15.585 5.546 6.690 47 HB3 ALA 10 3HB ALA 10 15.641 3.889 7.292 48 HA PRO 11 HA PRO 11 16.409 4.772 1.953 49 HB2 PRO 11 1HB PRO 11 14.057 3.489 1.515 50 HB3 PRO 11 2HB PRO 11 15.616 2.656 1.539 51 HG2 PRO 11 1HG PRO 11 13.548 2.867 3.693 52 HG3 PRO 11 2HG PRO 11 14.489 1.454 3.180 53 HD2 PRO 11 1HD PRO 11 15.126 2.910 5.372 54 HD3 PRO 11 2HD PRO 11 16.352 2.104 4.372 55 H SER 12 H SER 12 14.830 5.974 0.686 56 HA SER 12 HA SER 12 13.662 8.096 2.179 57 HB2 SER 12 1HB SER 12 14.606 8.000 -0.298 58 HB3 SER 12 2HB SER 12 12.922 7.642 -0.680 59 HG SER 12 HG SER 12 13.710 9.959 -0.562 60 H GLN 13 H GLN 13 11.324 8.803 1.455 61 HA GLN 13 HA GLN 13 9.564 6.486 1.914 62 HB2 GLN 13 1HB GLN 13 9.704 8.184 3.762 63 HB3 GLN 13 2HB GLN 13 9.004 9.359 2.657 64 HG2 GLN 13 1HG GLN 13 7.131 7.545 2.407 65 HG3 GLN 13 2HG GLN 13 7.748 7.004 3.968 66 HE21 GLN 13 1HE2 GLN 13 5.874 9.314 2.306 67 HE22 GLN 13 2HE2 GLN 13 5.431 10.279 3.668 68 H VAL 14 H VAL 14 8.424 5.942 0.186 69 HA VAL 14 HA VAL 14 8.200 7.426 -2.159 70 HB VAL 14 HB VAL 14 6.418 5.222 -1.117 71 HG11 VAL 14 1HG1 VAL 14 5.493 5.002 -3.294 72 HG12 VAL 14 2HG1 VAL 14 5.345 6.702 -2.847 73 HG13 VAL 14 3HG1 VAL 14 6.612 6.189 -3.962 74 HG21 VAL 14 1HG2 VAL 14 7.824 4.173 -3.173 75 HG22 VAL 14 2HG2 VAL 14 8.997 5.325 -2.534 76 HG23 VAL 14 3HG2 VAL 14 8.325 4.077 -1.485 77 H VAL 15 H VAL 15 6.999 9.113 -2.728 78 HA VAL 15 HA VAL 15 4.637 9.768 -1.087 79 HB VAL 15 HB VAL 15 5.030 12.142 -1.709 80 HG11 VAL 15 1HG1 VAL 15 5.897 11.005 0.405 81 HG12 VAL 15 2HG1 VAL 15 7.481 11.035 -0.372 82 HG13 VAL 15 3HG1 VAL 15 6.630 12.545 -0.042 83 HG21 VAL 15 1HG2 VAL 15 7.792 11.381 -2.569 84 HG22 VAL 15 2HG2 VAL 15 6.470 11.402 -3.736 85 HG23 VAL 15 3HG2 VAL 15 6.901 12.874 -2.865 86 H VAL 16 H VAL 16 5.244 8.342 -3.822 87 HA VAL 16 HA VAL 16 3.132 9.760 -5.312 88 HB VAL 16 HB VAL 16 5.410 8.189 -6.521 89 HG11 VAL 16 1HG1 VAL 16 4.184 9.921 -8.377 90 HG12 VAL 16 2HG1 VAL 16 4.172 8.156 -8.364 91 HG13 VAL 16 3HG1 VAL 16 2.889 9.054 -7.552 92 HG21 VAL 16 1HG2 VAL 16 5.968 10.422 -5.406 93 HG22 VAL 16 2HG2 VAL 16 6.464 10.204 -7.084 94 HG23 VAL 16 3HG2 VAL 16 5.032 11.161 -6.705 95 H ILE 17 H ILE 17 1.323 8.610 -5.302 96 HA ILE 17 HA ILE 17 1.460 5.743 -5.862 97 HB ILE 17 HB ILE 17 0.074 6.963 -3.483 98 HG12 ILE 17 1HG1 ILE 17 1.888 4.555 -3.711 99 HG13 ILE 17 2HG1 ILE 17 2.443 6.169 -3.283 100 HG21 ILE 17 1HG2 ILE 17 -1.630 5.569 -3.802 101 HG22 ILE 17 2HG2 ILE 17 -0.813 4.775 -5.147 102 HG23 ILE 17 3HG2 ILE 17 -0.506 4.245 -3.493 103 HD11 ILE 17 1HD1 ILE 17 0.968 6.116 -1.313 104 HD12 ILE 17 2HD1 ILE 17 0.518 4.461 -1.728 105 HD13 ILE 17 3HD1 ILE 17 2.186 4.841 -1.299 106 H ARG 18 H ARG 18 -0.141 5.020 -7.162 107 HA ARG 18 HA ARG 18 -2.482 6.728 -7.602 108 HB2 ARG 18 1HB ARG 18 -0.895 5.530 -9.875 109 HB3 ARG 18 2HB ARG 18 -2.272 6.618 -9.992 110 HG2 ARG 18 1HG ARG 18 -1.035 8.467 -9.371 111 HG3 ARG 18 2HG ARG 18 0.209 7.495 -8.582 112 HD2 ARG 18 1HD ARG 18 0.786 6.606 -10.877 113 HD3 ARG 18 2HD ARG 18 -0.266 7.860 -11.531 114 HE ARG 18 HE ARG 18 2.369 8.204 -10.443 115 HH11 ARG 18 2HH1 ARG 18 -0.681 9.754 -11.086 116 HH12 ARG 18 1HH1 ARG 18 -0.009 11.350 -11.132 117 HH21 ARG 18 2HH2 ARG 18 3.266 10.300 -10.500 118 HH22 ARG 18 1HH2 ARG 18 2.236 11.660 -10.799 119 H GLN 19 H GLN 19 -4.318 5.639 -8.422 120 HA GLN 19 HA GLN 19 -4.316 2.787 -7.806 121 HB2 GLN 19 1HB GLN 19 -6.038 4.123 -6.741 122 HB3 GLN 19 2HB GLN 19 -6.579 4.727 -8.301 123 HG2 GLN 19 1HG GLN 19 -6.908 2.157 -8.789 124 HG3 GLN 19 2HG GLN 19 -7.018 2.083 -7.031 125 HE21 GLN 19 1HE2 GLN 19 -8.577 3.566 -6.017 126 HE22 GLN 19 2HE2 GLN 19 -10.058 3.889 -6.846 127 H GLU 20 H GLU 20 -4.166 1.318 -9.356 128 HA GLU 20 HA GLU 20 -4.405 2.087 -12.131 129 HB2 GLU 20 1HB GLU 20 -3.409 -0.282 -10.641 130 HB3 GLU 20 2HB GLU 20 -3.984 -0.555 -12.280 131 HG2 GLU 20 1HG GLU 20 -1.795 1.321 -11.422 132 HG3 GLU 20 2HG GLU 20 -1.615 -0.189 -12.314 133 H ARG 21 H ARG 21 -6.024 -0.191 -9.936 134 HA ARG 21 HA ARG 21 -8.493 0.119 -11.413 135 HB2 ARG 21 1HB ARG 21 -7.237 -2.616 -11.130 136 HB3 ARG 21 2HB ARG 21 -8.809 -2.262 -11.833 137 HG2 ARG 21 1HG ARG 21 -7.523 -0.816 -13.509 138 HG3 ARG 21 2HG ARG 21 -6.088 -1.665 -12.930 139 HD2 ARG 21 1HD ARG 21 -6.862 -3.734 -13.695 140 HD3 ARG 21 2HD ARG 21 -8.524 -3.161 -13.836 141 HE ARG 21 HE ARG 21 -8.033 -2.343 -15.922 142 HH11 ARG 21 2HH1 ARG 21 -5.074 -3.116 -14.259 143 HH12 ARG 21 1HH1 ARG 21 -4.076 -2.889 -15.656 144 HH21 ARG 21 2HH2 ARG 21 -6.730 -2.040 -17.769 145 HH22 ARG 21 1HH2 ARG 21 -5.019 -2.275 -17.652 146 H ALA 22 H ALA 22 -9.955 0.453 -9.885 147 HA ALA 22 HA ALA 22 -9.577 -0.737 -7.239 148 HB1 ALA 22 1HB ALA 22 -11.640 0.853 -6.808 149 HB2 ALA 22 2HB ALA 22 -9.991 1.476 -6.866 150 HB3 ALA 22 3HB ALA 22 -11.042 1.632 -8.274 151 H GLY 23 H GLY 23 -10.377 -2.769 -7.216 152 HA2 GLY 23 1HA GLY 23 -12.805 -3.450 -8.631 153 HA3 GLY 23 2HA GLY 23 -11.830 -4.530 -7.645 154 H GLN 24 H GLN 24 -14.340 -4.974 -7.278 155 HA GLN 24 HA GLN 24 -15.680 -3.274 -5.437 156 HB2 GLN 24 1HB GLN 24 -16.640 -5.108 -7.009 157 HB3 GLN 24 2HB GLN 24 -16.251 -6.209 -5.693 158 HG2 GLN 24 1HG GLN 24 -17.583 -4.406 -4.286 159 HG3 GLN 24 2HG GLN 24 -18.322 -4.097 -5.856 160 HE21 GLN 24 1HE2 GLN 24 -19.158 -6.030 -7.001 161 HE22 GLN 24 2HE2 GLN 24 -19.913 -7.262 -6.054 162 H THR 25 H THR 25 -13.807 -6.262 -5.076 163 HA THR 25 HA THR 25 -13.724 -5.763 -2.171 164 HB THR 25 HB THR 25 -13.327 -8.177 -1.868 165 HG1 THR 25 1HG THR 25 -12.476 -8.856 -3.783 166 HG21 THR 25 1HG2 THR 25 -15.808 -7.236 -3.259 167 HG22 THR 25 2HG2 THR 25 -15.571 -7.657 -1.563 168 HG23 THR 25 3HG2 THR 25 -15.639 -8.926 -2.785 169 H SER 26 H SER 26 -11.927 -5.886 -5.024 170 HA SER 26 HA SER 26 -9.418 -6.028 -3.484 171 HB2 SER 26 1HB SER 26 -8.345 -6.959 -5.532 172 HB3 SER 26 2HB SER 26 -9.588 -8.018 -4.866 173 HG SER 26 HG SER 26 -10.669 -7.816 -6.650 174 H VAL 27 H VAL 27 -7.816 -4.557 -3.988 175 HA VAL 27 HA VAL 27 -8.448 -2.533 -6.025 176 HB VAL 27 HB VAL 27 -7.606 -1.993 -3.178 177 HG11 VAL 27 1HG1 VAL 27 -7.483 -0.272 -5.621 178 HG12 VAL 27 2HG1 VAL 27 -7.772 0.450 -4.037 179 HG13 VAL 27 3HG1 VAL 27 -6.297 -0.471 -4.332 180 HG21 VAL 27 1HG2 VAL 27 -9.698 -0.350 -3.748 181 HG22 VAL 27 2HG2 VAL 27 -10.108 -1.781 -4.695 182 HG23 VAL 27 3HG2 VAL 27 -9.841 -1.920 -2.957 183 H SER 28 H SER 28 -6.702 -1.632 -7.075 184 HA SER 28 HA SER 28 -4.123 -2.954 -6.570 185 HB2 SER 28 1HB SER 28 -4.933 -3.416 -8.786 186 HB3 SER 28 2HB SER 28 -5.267 -1.709 -9.078 187 HG SER 28 HG SER 28 -2.980 -1.357 -8.874 188 H LEU 29 H LEU 29 -2.168 -1.668 -6.982 189 HA LEU 29 HA LEU 29 -2.524 1.213 -6.564 190 HB2 LEU 29 1HB LEU 29 -0.649 -0.536 -4.978 191 HB3 LEU 29 2HB LEU 29 -0.772 1.219 -4.862 192 HG LEU 29 HG LEU 29 -2.946 -0.735 -4.112 193 HD11 LEU 29 1HD1 LEU 29 -2.409 -0.313 -1.848 194 HD12 LEU 29 2HD1 LEU 29 -1.275 0.965 -2.280 195 HD13 LEU 29 3HD1 LEU 29 -0.891 -0.715 -2.652 196 HD21 LEU 29 1HD2 LEU 29 -3.774 1.440 -4.904 197 HD22 LEU 29 2HD2 LEU 29 -2.761 2.249 -3.708 198 HD23 LEU 29 3HD2 LEU 29 -4.077 1.197 -3.184 199 H LEU 30 H LEU 30 -0.512 2.448 -6.958 200 HA LEU 30 HA LEU 30 1.565 1.134 -8.483 201 HB2 LEU 30 1HB LEU 30 -0.399 1.669 -10.039 202 HB3 LEU 30 2HB LEU 30 0.055 3.358 -9.818 203 HG LEU 30 HG LEU 30 2.333 2.747 -10.704 204 HD11 LEU 30 1HD1 LEU 30 2.705 0.704 -11.783 205 HD12 LEU 30 2HD1 LEU 30 0.997 0.270 -11.744 206 HD13 LEU 30 3HD1 LEU 30 1.941 0.267 -10.255 207 HD21 LEU 30 1HD2 LEU 30 1.239 2.293 -13.101 208 HD22 LEU 30 2HD2 LEU 30 1.199 3.869 -12.311 209 HD23 LEU 30 3HD2 LEU 30 -0.203 2.802 -12.223 210 H TRP 31 H TRP 31 3.303 1.939 -7.508 211 HA TRP 31 HA TRP 31 3.444 4.854 -7.108 212 HB2 TRP 31 1HB TRP 31 4.750 4.485 -5.078 213 HB3 TRP 31 2HB TRP 31 3.185 3.688 -4.951 214 HD1 TRP 31 HD TRP 31 6.914 2.957 -5.110 215 HE1 TRP 31 1HE TRP 31 7.303 0.473 -4.562 216 HE3 TRP 31 3HE TRP 31 2.060 1.353 -5.121 217 HZ2 TRP 31 2HZ TRP 31 5.757 -1.859 -4.186 218 HZ3 TRP 31 3HZ TRP 31 1.601 -1.019 -4.659 219 HH2 TRP 31 HH TRP 31 3.413 -2.591 -4.202 220 H GLN 32 H GLN 32 5.841 5.515 -6.739 221 HA GLN 32 HA GLN 32 7.446 4.176 -8.814 222 HB2 GLN 32 1HB GLN 32 8.519 6.311 -9.229 223 HB3 GLN 32 2HB GLN 32 6.775 6.488 -9.361 224 HG2 GLN 32 1HG GLN 32 7.156 8.310 -8.104 225 HG3 GLN 32 2HG GLN 32 7.085 7.142 -6.786 226 HE21 GLN 32 1HE2 GLN 32 8.420 8.287 -5.435 227 HE22 GLN 32 2HE2 GLN 32 10.110 8.487 -5.728 228 H GLU 33 H GLU 33 9.868 4.575 -8.510 229 HA GLU 33 HA GLU 33 10.649 3.419 -6.044 230 HB2 GLU 33 1HB GLU 33 12.061 4.423 -8.469 231 HB3 GLU 33 2HB GLU 33 13.005 4.184 -7.006 232 HG2 GLU 33 1HG GLU 33 12.774 1.920 -7.053 233 HG3 GLU 33 2HG GLU 33 11.219 1.984 -7.880 234 HA PRO 34 HA PRO 34 11.226 6.950 -3.489 235 HB2 PRO 34 1HB PRO 34 13.119 5.983 -1.800 236 HB3 PRO 34 2HB PRO 34 11.428 5.472 -1.741 237 HG2 PRO 34 1HG PRO 34 13.777 4.105 -2.997 238 HG3 PRO 34 2HG PRO 34 12.464 3.410 -2.028 239 HD2 PRO 34 1HD PRO 34 12.515 3.263 -4.731 240 HD3 PRO 34 2HD PRO 34 11.002 3.370 -3.809 241 H GLU 35 H GLU 35 12.388 8.775 -3.630 242 HA GLU 35 HA GLU 35 14.274 9.384 -5.416 243 HB2 GLU 35 1HB GLU 35 14.193 10.407 -2.573 244 HB3 GLU 35 2HB GLU 35 15.103 11.160 -3.876 245 HG2 GLU 35 1HG GLU 35 12.812 11.235 -5.088 246 HG3 GLU 35 2HG GLU 35 12.151 11.022 -3.468 247 H GLN 36 H GLN 36 15.236 8.619 -2.065 248 HA GLN 36 HA GLN 36 17.719 7.464 -3.152 249 HB2 GLN 36 1HB GLN 36 17.272 9.262 -0.797 250 HB3 GLN 36 2HB GLN 36 18.628 8.142 -0.798 251 HG2 GLN 36 1HG GLN 36 18.231 9.919 -3.150 252 HG3 GLN 36 2HG GLN 36 18.894 10.597 -1.664 253 HE21 GLN 36 1HE2 GLN 36 20.888 10.997 -2.598 254 HE22 GLN 36 2HE2 GLN 36 22.002 9.733 -2.978 255 HA PRO 37 HA PRO 37 15.808 3.934 -1.073 256 HB2 PRO 37 1HB PRO 37 17.348 2.088 -2.335 257 HB3 PRO 37 2HB PRO 37 15.919 2.817 -3.078 258 HG2 PRO 37 1HG PRO 37 18.809 3.506 -3.451 259 HG3 PRO 37 2HG PRO 37 17.526 3.363 -4.668 260 HD2 PRO 37 1HD PRO 37 18.366 5.752 -3.709 261 HD3 PRO 37 2HD PRO 37 16.689 5.462 -4.213 262 H ASN 38 H ASN 38 19.222 4.718 -1.427 263 HA ASN 38 HA ASN 38 21.017 4.431 -0.061 264 HB2 ASN 38 1HB ASN 38 18.860 4.066 2.030 265 HB3 ASN 38 2HB ASN 38 20.573 4.281 2.382 266 HD21 ASN 38 1HD2 ASN 38 19.012 6.019 3.547 267 HD22 ASN 38 2HD2 ASN 38 19.052 7.562 2.772 268 H GLY 39 H GLY 39 20.296 2.214 -1.545 269 HA2 GLY 39 1HA GLY 39 21.730 0.158 -1.060 270 HA3 GLY 39 2HA GLY 39 20.666 -0.038 0.324 271 H ILE 40 H ILE 40 20.267 -2.162 -0.651 272 HA ILE 40 HA ILE 40 18.572 -2.124 -3.033 273 HB ILE 40 HB ILE 40 19.690 -4.464 -1.484 274 HG12 ILE 40 1HG1 ILE 40 20.881 -4.629 -3.869 275 HG13 ILE 40 2HG1 ILE 40 20.630 -2.887 -3.830 276 HG21 ILE 40 1HG2 ILE 40 17.473 -4.710 -2.799 277 HG22 ILE 40 2HG2 ILE 40 18.506 -4.627 -4.225 278 HG23 ILE 40 3HG2 ILE 40 18.749 -5.905 -3.034 279 HD11 ILE 40 1HD1 ILE 40 21.707 -3.108 -1.452 280 HD12 ILE 40 2HD1 ILE 40 22.370 -4.593 -2.134 281 HD13 ILE 40 3HD1 ILE 40 22.706 -3.043 -2.904 282 H ILE 41 H ILE 41 16.429 -2.282 -2.938 283 HA ILE 41 HA ILE 41 15.160 -2.639 -0.344 284 HB ILE 41 HB ILE 41 14.007 -1.873 -3.027 285 HG12 ILE 41 1HG1 ILE 41 14.089 -0.123 -0.596 286 HG13 ILE 41 2HG1 ILE 41 15.532 -0.291 -1.589 287 HG21 ILE 41 1HG2 ILE 41 12.709 -2.282 -0.351 288 HG22 ILE 41 2HG2 ILE 41 12.000 -1.241 -1.583 289 HG23 ILE 41 3HG2 ILE 41 12.249 -2.955 -1.915 290 HD11 ILE 41 1HD1 ILE 41 14.745 1.181 -3.034 291 HD12 ILE 41 2HD1 ILE 41 13.280 0.227 -3.266 292 HD13 ILE 41 3HD1 ILE 41 13.355 1.430 -1.977 293 H LEU 42 H LEU 42 14.390 -4.527 0.313 294 HA LEU 42 HA LEU 42 14.402 -6.837 -1.332 295 HB2 LEU 42 1HB LEU 42 13.011 -6.466 1.314 296 HB3 LEU 42 2HB LEU 42 13.483 -7.992 0.570 297 HG LEU 42 HG LEU 42 15.563 -5.962 1.286 298 HD11 LEU 42 1HD1 LEU 42 13.927 -6.543 3.225 299 HD12 LEU 42 2HD1 LEU 42 15.668 -6.596 3.496 300 HD13 LEU 42 3HD1 LEU 42 14.773 -8.091 3.223 301 HD21 LEU 42 1HD2 LEU 42 15.945 -8.085 -0.104 302 HD22 LEU 42 2HD2 LEU 42 15.725 -8.954 1.415 303 HD23 LEU 42 3HD2 LEU 42 17.029 -7.776 1.253 304 H GLU 43 H GLU 43 11.706 -5.051 0.176 305 HA GLU 43 HA GLU 43 10.059 -5.322 -2.135 306 HB2 GLU 43 1HB GLU 43 8.292 -6.706 -1.068 307 HB3 GLU 43 2HB GLU 43 9.781 -7.590 -1.367 308 HG2 GLU 43 1HG GLU 43 9.419 -6.330 1.294 309 HG3 GLU 43 2HG GLU 43 8.480 -7.774 0.918 310 H TYR 44 H TYR 44 7.975 -4.285 -1.875 311 HA TYR 44 HA TYR 44 8.090 -2.199 0.168 312 HB2 TYR 44 1HB TYR 44 6.508 -2.471 -2.388 313 HB3 TYR 44 2HB TYR 44 6.242 -1.170 -1.234 314 HD1 TYR 44 1HD TYR 44 8.632 -2.610 -3.637 315 HD2 TYR 44 2HD TYR 44 7.776 0.664 -1.058 316 HE1 TYR 44 1HE TYR 44 10.432 -1.312 -4.697 317 HE2 TYR 44 2HE TYR 44 9.573 1.971 -2.111 318 HH TYR 44 HH TYR 44 11.227 0.853 -4.969 319 H GLU 45 H GLU 45 6.702 -2.065 1.821 320 HA GLU 45 HA GLU 45 4.592 -4.099 1.992 321 HB2 GLU 45 1HB GLU 45 6.504 -3.664 3.776 322 HB3 GLU 45 2HB GLU 45 5.386 -2.427 4.332 323 HG2 GLU 45 1HG GLU 45 4.683 -4.151 5.618 324 HG3 GLU 45 2HG GLU 45 3.668 -4.430 4.204 325 H ILE 46 H ILE 46 2.548 -3.515 1.739 326 HA ILE 46 HA ILE 46 1.861 -0.665 1.933 327 HB ILE 46 HB ILE 46 0.324 -2.896 0.596 328 HG12 ILE 46 1HG1 ILE 46 1.039 -1.287 -1.424 329 HG13 ILE 46 2HG1 ILE 46 2.402 -0.990 -0.351 330 HG21 ILE 46 1HG2 ILE 46 -1.354 -1.422 0.935 331 HG22 ILE 46 2HG2 ILE 46 -0.258 -0.058 1.147 332 HG23 ILE 46 3HG2 ILE 46 -0.648 -0.632 -0.474 333 HD11 ILE 46 1HD1 ILE 46 1.872 -3.235 -2.054 334 HD12 ILE 46 2HD1 ILE 46 3.339 -2.816 -1.168 335 HD13 ILE 46 3HD1 ILE 46 2.073 -3.759 -0.383 336 H LYS 47 H LYS 47 0.267 0.063 3.263 337 HA LYS 47 HA LYS 47 -0.915 -1.918 5.096 338 HB2 LYS 47 1HB LYS 47 0.555 -0.492 6.325 339 HB3 LYS 47 2HB LYS 47 -0.094 0.949 5.554 340 HG2 LYS 47 1HG LYS 47 -2.211 0.637 6.700 341 HG3 LYS 47 2HG LYS 47 -1.608 -0.849 7.437 342 HD2 LYS 47 1HD LYS 47 -0.202 0.273 8.872 343 HD3 LYS 47 2HD LYS 47 -0.064 1.675 7.809 344 HE2 LYS 47 1HE LYS 47 -2.573 2.018 8.328 345 HE3 LYS 47 2HE LYS 47 -2.277 0.937 9.689 346 HZ1 LYS 47 1HZ LYS 47 -0.961 2.456 10.733 347 HZ2 LYS 47 2HZ LYS 47 -2.010 3.513 9.931 348 HZ3 LYS 47 3HZ LYS 47 -0.470 3.210 9.300 349 H TYR 48 H TYR 48 -3.017 -2.226 4.831 350 HA TYR 48 HA TYR 48 -4.684 0.052 3.996 351 HB2 TYR 48 1HB TYR 48 -6.062 -1.521 2.668 352 HB3 TYR 48 2HB TYR 48 -4.410 -1.403 2.070 353 HD1 TYR 48 1HD TYR 48 -2.838 -3.268 2.389 354 HD2 TYR 48 2HD TYR 48 -6.910 -3.573 3.586 355 HE1 TYR 48 1HE TYR 48 -2.606 -5.713 2.536 356 HE2 TYR 48 2HE TYR 48 -6.689 -6.018 3.737 357 HH TYR 48 HH TYR 48 -3.613 -7.604 3.495 358 H TYR 49 H TYR 49 -6.360 0.442 5.285 359 HA TYR 49 HA TYR 49 -7.577 -1.719 6.815 360 HB2 TYR 49 1HB TYR 49 -7.372 -0.593 8.940 361 HB3 TYR 49 2HB TYR 49 -5.765 -0.783 8.249 362 HD1 TYR 49 1HD TYR 49 -8.548 1.711 8.349 363 HD2 TYR 49 2HD TYR 49 -4.347 1.040 8.276 364 HE1 TYR 49 1HE TYR 49 -8.164 4.128 8.597 365 HE2 TYR 49 2HE TYR 49 -3.951 3.454 8.525 366 HH TYR 49 HH TYR 49 -6.453 5.771 8.183 367 H GLU 50 H GLU 50 -9.644 -1.146 7.729 368 HA GLU 50 HA GLU 50 -11.312 0.246 6.018 369 HB2 GLU 50 1HB GLU 50 -11.547 -0.766 8.802 370 HB3 GLU 50 2HB GLU 50 -12.755 0.394 8.268 371 HG2 GLU 50 1HG GLU 50 -13.611 -1.027 6.667 372 HG3 GLU 50 2HG GLU 50 -12.133 -1.983 6.578 373 H LYS 51 H LYS 51 -11.178 2.326 5.501 374 HA LYS 51 HA LYS 51 -9.913 4.348 6.864 375 HB2 LYS 51 1HB LYS 51 -10.533 4.755 4.619 376 HB3 LYS 51 2HB LYS 51 -12.227 4.406 4.938 377 HG2 LYS 51 1HG LYS 51 -12.062 6.742 4.674 378 HG3 LYS 51 2HG LYS 51 -12.256 6.452 6.405 379 HD2 LYS 51 1HD LYS 51 -9.919 6.800 6.791 380 HD3 LYS 51 2HD LYS 51 -9.588 6.857 5.058 381 HE2 LYS 51 1HE LYS 51 -10.899 8.900 4.863 382 HE3 LYS 51 2HE LYS 51 -11.288 8.831 6.581 383 HZ1 LYS 51 1HZ LYS 51 -8.953 9.845 5.299 384 HZ2 LYS 51 2HZ LYS 51 -8.556 8.700 6.479 385 HZ3 LYS 51 3HZ LYS 51 -9.479 10.056 6.893 386 H ASP 52 H ASP 52 -13.408 3.648 6.922 387 HA ASP 52 HA ASP 52 -13.970 5.576 8.938 388 HB2 ASP 52 1HB ASP 52 -15.551 4.414 7.191 389 HB3 ASP 52 2HB ASP 52 -15.739 3.207 8.460 390 H LYS 53 H LYS 53 -13.447 2.077 8.970 391 HA LYS 53 HA LYS 53 -13.566 2.100 11.902 392 HB2 LYS 53 1HB LYS 53 -13.413 -0.294 10.066 393 HB3 LYS 53 2HB LYS 53 -13.781 -0.299 11.785 394 HG2 LYS 53 1HG LYS 53 -15.506 1.088 9.754 395 HG3 LYS 53 2HG LYS 53 -15.736 -0.596 10.229 396 HD2 LYS 53 1HD LYS 53 -15.578 1.533 12.322 397 HD3 LYS 53 2HD LYS 53 -17.080 1.293 11.426 398 HE2 LYS 53 1HE LYS 53 -15.659 -0.999 12.739 399 HE3 LYS 53 2HE LYS 53 -16.763 0.033 13.646 400 HZ1 LYS 53 1HZ LYS 53 -18.003 -0.718 11.247 401 HZ2 LYS 53 2HZ LYS 53 -18.455 -1.109 12.829 402 HZ3 LYS 53 3HZ LYS 53 -17.394 -2.116 11.979 403 H GLU 54 H GLU 54 -11.646 2.633 12.747 404 HA GLU 54 HA GLU 54 -9.179 1.769 11.480 405 HB2 GLU 54 1HB GLU 54 -9.625 4.076 12.563 406 HB3 GLU 54 2HB GLU 54 -9.363 3.247 14.091 407 HG2 GLU 54 1HG GLU 54 -7.157 2.449 12.992 408 HG3 GLU 54 2HG GLU 54 -7.432 3.790 11.882 409 H MET 55 H MET 55 -8.775 -0.345 11.807 410 HA MET 55 HA MET 55 -9.251 -1.555 14.405 411 HB2 MET 55 1HB MET 55 -8.138 -2.749 11.860 412 HB3 MET 55 2HB MET 55 -8.562 -3.649 13.310 413 HG2 MET 55 1HG MET 55 -10.825 -3.388 12.975 414 HG3 MET 55 2HG MET 55 -10.617 -1.956 11.969 415 HE1 MET 55 1HE MET 55 -10.416 -2.728 8.687 416 HE2 MET 55 2HE MET 55 -9.512 -1.868 9.933 417 HE3 MET 55 3HE MET 55 -8.768 -3.221 9.079 418 H GLN 56 H GLN 56 -7.738 -1.973 15.899 419 HA GLN 56 HA GLN 56 -5.297 -0.713 15.976 420 HB2 GLN 56 1HB GLN 56 -5.972 -3.328 17.333 421 HB3 GLN 56 2HB GLN 56 -4.713 -2.201 17.817 422 HG2 GLN 56 1HG GLN 56 -6.530 -0.494 18.161 423 HG3 GLN 56 2HG GLN 56 -7.687 -1.806 17.943 424 HE21 GLN 56 1HE2 GLN 56 -8.513 -1.906 19.956 425 HE22 GLN 56 2HE2 GLN 56 -7.597 -2.296 21.368 426 H SER 57 H SER 57 -6.000 -4.013 14.894 427 HA SER 57 HA SER 57 -3.215 -4.381 14.104 428 HB2 SER 57 1HB SER 57 -3.940 -6.708 13.568 429 HB3 SER 57 2HB SER 57 -4.248 -6.255 15.244 430 HG SER 57 HG SER 57 -6.023 -6.824 13.204 431 H TYR 58 H TYR 58 -2.789 -3.304 12.261 432 HA TYR 58 HA TYR 58 -4.704 -3.228 10.092 433 HB2 TYR 58 1HB TYR 58 -3.027 -1.829 8.958 434 HB3 TYR 58 2HB TYR 58 -3.373 -1.237 10.579 435 HD1 TYR 58 2HD TYR 58 -1.713 -1.545 12.388 436 HD2 TYR 58 1HD TYR 58 -0.849 -2.618 8.363 437 HE1 TYR 58 2HE TYR 58 0.686 -1.602 12.925 438 HE2 TYR 58 1HE TYR 58 1.553 -2.680 8.889 439 HH TYR 58 HH TYR 58 2.842 -3.053 11.557 440 H SER 59 H SER 59 -4.258 -3.974 7.955 441 HA SER 59 HA SER 59 -2.696 -6.446 7.955 442 HB2 SER 59 1HB SER 59 -4.661 -5.422 5.892 443 HB3 SER 59 2HB SER 59 -3.940 -7.031 5.940 444 HG SER 59 HG SER 59 -6.144 -6.700 6.880 445 H THR 60 H THR 60 -0.860 -6.688 6.844 446 HA THR 60 HA THR 60 0.042 -4.434 5.187 447 HB THR 60 HB THR 60 2.329 -5.568 5.474 448 HG1 THR 60 1HG THR 60 1.422 -7.550 6.328 449 HG21 THR 60 1HG2 THR 60 0.794 -3.892 7.284 450 HG22 THR 60 2HG2 THR 60 2.474 -3.748 6.766 451 HG23 THR 60 3HG2 THR 60 2.056 -4.794 8.122 452 H LEU 61 H LEU 61 1.164 -4.855 3.213 453 HA LEU 61 HA LEU 61 0.661 -7.509 2.050 454 HB2 LEU 61 1HB LEU 61 -0.997 -5.718 1.349 455 HB3 LEU 61 2HB LEU 61 0.349 -4.941 0.517 456 HG LEU 61 HG LEU 61 0.614 -7.089 -0.792 457 HD11 LEU 61 1HD1 LEU 61 -2.199 -7.759 -0.197 458 HD12 LEU 61 2HD1 LEU 61 -1.007 -8.199 1.026 459 HD13 LEU 61 3HD1 LEU 61 -0.844 -8.805 -0.622 460 HD21 LEU 61 1HD2 LEU 61 -0.440 -5.934 -2.363 461 HD22 LEU 61 2HD2 LEU 61 -1.146 -4.906 -1.115 462 HD23 LEU 61 3HD2 LEU 61 -2.002 -6.350 -1.658 463 H LYS 62 H LYS 62 2.400 -8.398 1.153 464 HA LYS 62 HA LYS 62 4.821 -6.805 0.888 465 HB2 LYS 62 1HB LYS 62 4.260 -9.764 0.776 466 HB3 LYS 62 2HB LYS 62 5.831 -9.094 0.354 467 HG2 LYS 62 1HG LYS 62 5.785 -9.897 2.652 468 HG3 LYS 62 2HG LYS 62 6.051 -8.153 2.585 469 HD2 LYS 62 1HD LYS 62 3.912 -7.672 3.359 470 HD3 LYS 62 2HD LYS 62 3.285 -9.258 2.904 471 HE2 LYS 62 1HE LYS 62 5.431 -9.055 4.971 472 HE3 LYS 62 2HE LYS 62 3.764 -8.691 5.412 473 HZ1 LYS 62 1HZ LYS 62 3.136 -10.836 5.183 474 HZ2 LYS 62 2HZ LYS 62 4.765 -11.122 5.539 475 HZ3 LYS 62 3HZ LYS 62 4.231 -11.160 3.934 476 H ALA 63 H ALA 63 5.431 -5.941 -0.974 477 HA ALA 63 HA ALA 63 4.549 -7.219 -3.479 478 HB1 ALA 63 1HB ALA 63 4.626 -4.810 -4.401 479 HB2 ALA 63 2HB ALA 63 3.238 -5.303 -3.431 480 HB3 ALA 63 3HB ALA 63 4.516 -4.326 -2.709 481 H VAL 64 H VAL 64 6.114 -7.680 -4.895 482 HA VAL 64 HA VAL 64 8.848 -6.958 -4.230 483 HB VAL 64 HB VAL 64 9.494 -8.514 -6.014 484 HG11 VAL 64 1HG1 VAL 64 8.649 -9.171 -3.593 485 HG12 VAL 64 2HG1 VAL 64 7.416 -10.025 -4.523 486 HG13 VAL 64 3HG1 VAL 64 9.124 -10.391 -4.774 487 HG21 VAL 64 1HG2 VAL 64 7.537 -9.928 -6.949 488 HG22 VAL 64 2HG2 VAL 64 6.544 -8.532 -6.530 489 HG23 VAL 64 3HG2 VAL 64 7.876 -8.355 -7.672 490 H THR 65 H THR 65 6.394 -6.119 -6.530 491 HA THR 65 HA THR 65 8.336 -4.454 -7.994 492 HB THR 65 HB THR 65 7.399 -5.971 -9.555 493 HG1 THR 65 1HG THR 65 5.803 -4.384 -10.661 494 HG21 THR 65 1HG2 THR 65 5.513 -6.745 -8.187 495 HG22 THR 65 2HG2 THR 65 4.997 -6.332 -9.822 496 HG23 THR 65 3HG2 THR 65 4.673 -5.225 -8.489 497 H THR 66 H THR 66 7.113 -2.529 -9.096 498 HA THR 66 HA THR 66 6.157 -0.871 -6.989 499 HB THR 66 HB THR 66 5.799 0.827 -8.772 500 HG1 THR 66 1HG THR 66 6.078 0.301 -10.872 501 HG21 THR 66 1HG2 THR 66 8.450 -0.181 -9.508 502 HG22 THR 66 2HG2 THR 66 8.163 -0.121 -7.769 503 HG23 THR 66 3HG2 THR 66 7.988 1.339 -8.742 504 H ARG 67 H ARG 67 4.609 -3.270 -8.550 505 HA ARG 67 HA ARG 67 2.001 -1.902 -8.413 506 HB2 ARG 67 1HB ARG 67 2.857 -4.211 -10.166 507 HB3 ARG 67 2HB ARG 67 1.203 -3.629 -10.031 508 HG2 ARG 67 1HG ARG 67 1.692 -1.620 -11.105 509 HG3 ARG 67 2HG ARG 67 3.428 -1.798 -10.843 510 HD2 ARG 67 1HD ARG 67 3.198 -2.328 -13.087 511 HD3 ARG 67 2HD ARG 67 3.190 -3.912 -12.313 512 HE ARG 67 HE ARG 67 0.585 -3.393 -12.429 513 HH11 ARG 67 2HH1 ARG 67 3.077 -3.024 -14.832 514 HH12 ARG 67 1HH1 ARG 67 2.011 -3.301 -16.169 515 HH21 ARG 67 2HH2 ARG 67 -0.829 -3.759 -14.181 516 HH22 ARG 67 1HH2 ARG 67 -0.211 -3.719 -15.798 517 H ALA 68 H ALA 68 0.360 -2.854 -7.279 518 HA ALA 68 HA ALA 68 0.649 -5.537 -6.229 519 HB1 ALA 68 1HB ALA 68 1.197 -5.074 -4.118 520 HB2 ALA 68 2HB ALA 68 1.665 -3.478 -4.706 521 HB3 ALA 68 3HB ALA 68 0.056 -3.732 -4.029 522 H THR 69 H THR 69 -1.286 -6.259 -5.073 523 HA THR 69 HA THR 69 -3.671 -4.617 -5.498 524 HB THR 69 HB THR 69 -3.436 -7.468 -6.483 525 HG1 THR 69 1HG THR 69 -4.001 -5.189 -8.064 526 HG21 THR 69 1HG2 THR 69 -5.651 -7.390 -5.940 527 HG22 THR 69 2HG2 THR 69 -5.738 -6.612 -7.521 528 HG23 THR 69 3HG2 THR 69 -5.729 -5.632 -6.055 529 H VAL 70 H VAL 70 -4.604 -4.488 -3.571 530 HA VAL 70 HA VAL 70 -4.240 -6.576 -1.593 531 HB VAL 70 HB VAL 70 -5.694 -3.933 -1.455 532 HG11 VAL 70 1HG1 VAL 70 -5.702 -4.366 1.014 533 HG12 VAL 70 2HG1 VAL 70 -6.779 -5.403 0.076 534 HG13 VAL 70 3HG1 VAL 70 -5.237 -6.029 0.659 535 HG21 VAL 70 1HG2 VAL 70 -3.141 -4.766 -0.093 536 HG22 VAL 70 2HG2 VAL 70 -3.184 -3.921 -1.641 537 HG23 VAL 70 3HG2 VAL 70 -3.836 -3.148 -0.196 538 H SER 71 H SER 71 -5.550 -8.264 -1.467 539 HA SER 71 HA SER 71 -8.344 -7.950 -2.351 540 HB2 SER 71 1HB SER 71 -6.455 -10.288 -2.531 541 HB3 SER 71 2HB SER 71 -8.201 -10.513 -2.625 542 HG SER 71 HG SER 71 -6.541 -9.761 -4.550 543 H GLY 72 H GLY 72 -9.969 -9.129 -1.186 544 HA2 GLY 72 1HA GLY 72 -10.742 -10.376 0.678 545 HA3 GLY 72 2HA GLY 72 -9.189 -10.123 1.459 546 H LEU 73 H LEU 73 -11.193 -7.639 -0.041 547 HA LEU 73 HA LEU 73 -11.506 -6.414 2.620 548 HB2 LEU 73 1HB LEU 73 -11.601 -4.959 -0.008 549 HB3 LEU 73 2HB LEU 73 -11.447 -4.274 1.609 550 HG LEU 73 HG LEU 73 -9.294 -6.043 0.517 551 HD11 LEU 73 1HD1 LEU 73 -9.129 -3.095 0.139 552 HD12 LEU 73 2HD1 LEU 73 -10.009 -4.059 -1.046 553 HD13 LEU 73 3HD1 LEU 73 -8.308 -4.395 -0.727 554 HD21 LEU 73 1HD2 LEU 73 -8.173 -5.390 2.328 555 HD22 LEU 73 2HD2 LEU 73 -9.702 -4.740 2.922 556 HD23 LEU 73 3HD2 LEU 73 -8.573 -3.694 2.058 557 H LYS 74 H LYS 74 -13.417 -4.735 2.522 558 HA LYS 74 HA LYS 74 -15.758 -6.242 1.586 559 HB2 LYS 74 1HB LYS 74 -15.414 -4.161 3.743 560 HB3 LYS 74 2HB LYS 74 -16.994 -4.706 3.194 561 HG2 LYS 74 1HG LYS 74 -16.767 -6.774 4.143 562 HG3 LYS 74 2HG LYS 74 -15.004 -6.743 4.054 563 HD2 LYS 74 1HD LYS 74 -15.451 -6.497 6.332 564 HD3 LYS 74 2HD LYS 74 -15.156 -4.846 5.784 565 HE2 LYS 74 1HE LYS 74 -17.073 -4.740 7.156 566 HE3 LYS 74 2HE LYS 74 -17.662 -4.638 5.498 567 HZ1 LYS 74 1HZ LYS 74 -17.696 -7.293 5.980 568 HZ2 LYS 74 2HZ LYS 74 -19.034 -6.267 6.115 569 HZ3 LYS 74 3HZ LYS 74 -18.129 -6.663 7.489 570 HA PRO 75 HA PRO 75 -16.640 -3.220 -1.492 571 HB2 PRO 75 1HB PRO 75 -19.306 -3.653 -1.766 572 HB3 PRO 75 2HB PRO 75 -18.083 -4.769 -2.384 573 HG2 PRO 75 1HG PRO 75 -19.686 -4.924 0.139 574 HG3 PRO 75 2HG PRO 75 -19.292 -6.210 -1.017 575 HD2 PRO 75 1HD PRO 75 -17.961 -5.893 1.320 576 HD3 PRO 75 2HD PRO 75 -17.180 -6.517 -0.148 577 H GLY 76 H GLY 76 -17.844 -1.257 -1.862 578 HA2 GLY 76 1HA GLY 76 -18.505 0.825 -1.134 579 HA3 GLY 76 2HA GLY 76 -19.741 -0.082 -0.275 580 H THR 77 H THR 77 -16.237 -0.042 0.250 581 HA THR 77 HA THR 77 -16.633 1.369 2.783 582 HB THR 77 HB THR 77 -15.216 -1.295 2.575 583 HG1 THR 77 1HG THR 77 -16.968 -1.603 4.334 584 HG21 THR 77 1HG2 THR 77 -15.139 -0.974 5.124 585 HG22 THR 77 2HG2 THR 77 -15.422 0.733 4.783 586 HG23 THR 77 3HG2 THR 77 -13.985 -0.067 4.147 587 H ARG 78 H ARG 78 -15.203 2.960 2.913 588 HA ARG 78 HA ARG 78 -13.071 3.280 1.097 589 HB2 ARG 78 1HB ARG 78 -14.068 4.710 3.498 590 HB3 ARG 78 2HB ARG 78 -12.397 5.010 3.039 591 HG2 ARG 78 1HG ARG 78 -13.425 5.394 0.668 592 HG3 ARG 78 2HG ARG 78 -14.910 5.664 1.583 593 HD2 ARG 78 1HD ARG 78 -13.697 7.346 2.948 594 HD3 ARG 78 2HD ARG 78 -12.294 7.129 1.903 595 HE ARG 78 HE ARG 78 -14.734 8.550 1.278 596 HH11 ARG 78 2HH1 ARG 78 -11.846 7.043 0.049 597 HH12 ARG 78 1HH1 ARG 78 -11.856 7.935 -1.436 598 HH21 ARG 78 2HH2 ARG 78 -14.758 9.730 -0.673 599 HH22 ARG 78 1HH2 ARG 78 -13.513 9.464 -1.846 600 H TYR 79 H TYR 79 -10.853 3.092 1.350 601 HA TYR 79 HA TYR 79 -9.878 1.795 3.793 602 HB2 TYR 79 1HB TYR 79 -9.675 0.752 0.988 603 HB3 TYR 79 2HB TYR 79 -8.413 0.379 2.158 604 HD1 TYR 79 2HD TYR 79 -9.098 -0.774 4.324 605 HD2 TYR 79 1HD TYR 79 -11.675 -0.473 0.953 606 HE1 TYR 79 2HE TYR 79 -10.454 -2.628 5.203 607 HE2 TYR 79 1HE TYR 79 -13.039 -2.326 1.822 608 HH TYR 79 HH TYR 79 -12.466 -3.693 5.005 609 H VAL 80 H VAL 80 -7.995 2.590 4.500 610 HA VAL 80 HA VAL 80 -6.682 4.639 2.887 611 HB VAL 80 HB VAL 80 -6.195 3.879 5.770 612 HG11 VAL 80 1HG1 VAL 80 -4.414 5.118 4.291 613 HG12 VAL 80 2HG1 VAL 80 -5.458 6.510 4.583 614 HG13 VAL 80 3HG1 VAL 80 -4.741 5.644 5.942 615 HG21 VAL 80 1HG2 VAL 80 -8.489 4.768 5.235 616 HG22 VAL 80 2HG2 VAL 80 -7.565 5.715 6.400 617 HG23 VAL 80 3HG2 VAL 80 -7.707 6.267 4.731 618 H PHE 81 H PHE 81 -5.217 3.838 1.511 619 HA PHE 81 HA PHE 81 -3.564 1.569 2.272 620 HB2 PHE 81 1HB PHE 81 -3.792 3.125 -0.310 621 HB3 PHE 81 2HB PHE 81 -2.710 1.755 -0.076 622 HD1 PHE 81 1HD PHE 81 -3.685 -0.496 0.415 623 HD2 PHE 81 2HD PHE 81 -6.065 2.813 -0.812 624 HE1 PHE 81 1HE PHE 81 -5.498 -2.037 -0.213 625 HE2 PHE 81 2HE PHE 81 -7.881 1.278 -1.441 626 HZ PHE 81 HZ PHE 81 -7.600 -1.150 -1.142 627 H GLN 82 H GLN 82 -1.271 1.609 2.217 628 HA GLN 82 HA GLN 82 0.096 4.150 2.041 629 HB2 GLN 82 1HB GLN 82 -0.324 2.718 4.640 630 HB3 GLN 82 2HB GLN 82 1.151 3.638 4.375 631 HG2 GLN 82 1HG GLN 82 -0.358 5.590 3.773 632 HG3 GLN 82 2HG GLN 82 -1.676 4.634 4.449 633 HE21 GLN 82 1HE2 GLN 82 0.195 7.099 5.161 634 HE22 GLN 82 2HE2 GLN 82 0.404 6.891 6.863 635 H VAL 83 H VAL 83 1.657 3.566 0.675 636 HA VAL 83 HA VAL 83 2.929 0.952 0.935 637 HB VAL 83 HB VAL 83 3.348 3.075 -1.174 638 HG11 VAL 83 1HG1 VAL 83 4.953 1.796 -2.036 639 HG12 VAL 83 2HG1 VAL 83 4.911 0.863 -0.538 640 HG13 VAL 83 3HG1 VAL 83 3.949 0.350 -1.925 641 HG21 VAL 83 1HG2 VAL 83 1.062 1.674 -0.805 642 HG22 VAL 83 2HG2 VAL 83 1.638 2.234 -2.375 643 HG23 VAL 83 3HG2 VAL 83 1.954 0.577 -1.859 644 H ARG 84 H ARG 84 5.014 0.632 1.527 645 HA ARG 84 HA ARG 84 6.769 2.936 1.903 646 HB2 ARG 84 1HB ARG 84 7.316 2.362 4.179 647 HB3 ARG 84 2HB ARG 84 5.574 2.568 4.054 648 HG2 ARG 84 1HG ARG 84 5.167 0.281 4.245 649 HG3 ARG 84 2HG ARG 84 6.834 -0.140 3.848 650 HD2 ARG 84 1HD ARG 84 7.568 0.872 5.970 651 HD3 ARG 84 2HD ARG 84 5.886 1.221 6.366 652 HE ARG 84 HE ARG 84 5.969 -1.477 5.877 653 HH11 ARG 84 2HH1 ARG 84 7.557 0.722 8.059 654 HH12 ARG 84 1HH1 ARG 84 7.755 -0.459 9.311 655 HH21 ARG 84 2HH2 ARG 84 6.224 -3.040 7.518 656 HH22 ARG 84 1HH2 ARG 84 6.997 -2.598 9.003 657 H ALA 85 H ALA 85 9.000 2.396 2.052 658 HA ALA 85 HA ALA 85 9.616 -0.178 0.797 659 HB1 ALA 85 1HB ALA 85 10.647 1.366 -0.517 660 HB2 ALA 85 2HB ALA 85 10.904 2.494 0.815 661 HB3 ALA 85 3HB ALA 85 11.946 1.082 0.642 662 H ARG 86 H ARG 86 10.884 -1.697 1.730 663 HA ARG 86 HA ARG 86 11.949 -1.097 4.412 664 HB2 ARG 86 1HB ARG 86 9.979 -2.609 4.450 665 HB3 ARG 86 2HB ARG 86 10.862 -3.743 3.437 666 HG2 ARG 86 1HG ARG 86 12.636 -3.625 5.345 667 HG3 ARG 86 2HG ARG 86 11.273 -3.045 6.303 668 HD2 ARG 86 1HD ARG 86 11.238 -5.590 4.691 669 HD3 ARG 86 2HD ARG 86 11.651 -5.517 6.404 670 HE ARG 86 HE ARG 86 9.101 -4.348 5.718 671 HH11 ARG 86 2HH1 ARG 86 10.807 -7.216 6.707 672 HH12 ARG 86 1HH1 ARG 86 9.404 -7.976 7.381 673 HH21 ARG 86 2HH2 ARG 86 7.246 -5.338 6.602 674 HH22 ARG 86 1HH2 ARG 86 7.379 -6.907 7.320 675 H THR 87 H THR 87 14.034 -1.569 4.792 676 HA THR 87 HA THR 87 15.474 -3.210 2.817 677 HB THR 87 HB THR 87 17.446 -1.679 3.136 678 HG1 THR 87 1HG THR 87 16.709 -0.614 5.029 679 HG21 THR 87 1HG2 THR 87 15.388 0.093 2.005 680 HG22 THR 87 2HG2 THR 87 15.409 -1.542 1.344 681 HG23 THR 87 3HG2 THR 87 16.861 -0.544 1.276 682 H SER 88 H SER 88 17.156 -4.465 3.599 683 HA SER 88 HA SER 88 16.976 -5.668 6.015 684 HB2 SER 88 1HB SER 88 18.472 -6.442 4.218 685 HB3 SER 88 2HB SER 88 19.568 -5.103 4.553 686 HG SER 88 HG SER 88 19.272 -6.222 6.847 687 H ALA 89 H ALA 89 18.913 -2.784 5.303 688 HA ALA 89 HA ALA 89 20.217 -2.425 7.694 689 HB1 ALA 89 1HB ALA 89 20.239 -0.029 7.184 690 HB2 ALA 89 2HB ALA 89 20.592 -1.004 5.756 691 HB3 ALA 89 3HB ALA 89 18.995 -0.282 5.959 692 H GLY 90 H GLY 90 17.023 -1.058 6.854 693 HA2 GLY 90 1HA GLY 90 16.058 -1.500 9.532 694 HA3 GLY 90 2HA GLY 90 16.359 0.194 9.176 695 H CYS 91 H CYS 91 14.316 0.977 9.122 696 HA CYS 91 HA CYS 91 12.646 0.085 6.899 697 HB2 CYS 91 1HB CYS 91 11.636 0.349 9.739 698 HB3 CYS 91 2HB CYS 91 10.623 0.087 8.325 699 HG CYS 91 HG CYS 91 13.084 -2.157 8.941 700 H GLY 92 H GLY 92 11.336 1.680 6.025 701 HA2 GLY 92 1HA GLY 92 12.009 4.399 6.900 702 HA3 GLY 92 2HA GLY 92 11.376 3.953 5.323 703 H ARG 93 H ARG 93 10.058 5.945 6.054 704 HA ARG 93 HA ARG 93 7.894 5.325 7.880 705 HB2 ARG 93 1HB ARG 93 8.792 7.755 6.388 706 HB3 ARG 93 2HB ARG 93 7.132 7.678 6.964 707 HG2 ARG 93 1HG ARG 93 7.934 7.337 9.245 708 HG3 ARG 93 2HG ARG 93 9.600 7.411 8.667 709 HD2 ARG 93 1HD ARG 93 9.149 9.703 7.826 710 HD3 ARG 93 2HD ARG 93 7.545 9.614 8.553 711 HE ARG 93 HE ARG 93 8.490 9.963 10.615 712 HH11 ARG 93 2HH1 ARG 93 10.983 9.202 8.308 713 HH12 ARG 93 1HH1 ARG 93 12.282 9.595 9.386 714 HH21 ARG 93 2HH2 ARG 93 10.190 10.484 12.043 715 HH22 ARG 93 1HH2 ARG 93 11.829 10.323 11.511 716 H PHE 94 H PHE 94 5.619 5.920 7.136 717 HA PHE 94 HA PHE 94 5.076 4.408 4.711 718 HB2 PHE 94 1HB PHE 94 3.509 5.231 7.102 719 HB3 PHE 94 2HB PHE 94 2.622 4.986 5.602 720 HD1 PHE 94 1HD PHE 94 3.193 2.742 4.345 721 HD2 PHE 94 2HD PHE 94 3.824 3.436 8.497 722 HE1 PHE 94 1HE PHE 94 3.174 0.315 4.750 723 HE2 PHE 94 2HE PHE 94 3.808 1.010 8.908 724 HZ PHE 94 HZ PHE 94 3.483 -0.554 7.033 725 H SER 95 H SER 95 3.942 5.184 2.943 726 HA SER 95 HA SER 95 4.413 7.837 2.184 727 HB2 SER 95 1HB SER 95 2.801 7.323 0.305 728 HB3 SER 95 2HB SER 95 4.131 6.178 0.479 729 HG SER 95 HG SER 95 1.504 5.709 0.576 730 H GLN 96 H GLN 96 2.431 9.161 1.237 731 HA GLN 96 HA GLN 96 1.063 10.224 3.445 732 HB2 GLN 96 1HB GLN 96 0.866 10.578 0.483 733 HB3 GLN 96 2HB GLN 96 -0.388 11.263 1.508 734 HG2 GLN 96 1HG GLN 96 1.168 12.649 2.635 735 HG3 GLN 96 2HG GLN 96 2.538 11.812 1.907 736 HE21 GLN 96 1HE2 GLN 96 1.116 14.630 1.859 737 HE22 GLN 96 2HE2 GLN 96 1.270 15.075 0.197 738 H ALA 97 H ALA 97 -1.156 10.210 3.982 739 HA ALA 97 HA ALA 97 -2.384 7.677 3.899 740 HB1 ALA 97 1HB ALA 97 -2.733 10.009 5.343 741 HB2 ALA 97 2HB ALA 97 -4.239 9.841 4.439 742 HB3 ALA 97 3HB ALA 97 -3.690 8.534 5.488 743 H MET 98 H MET 98 -2.954 6.844 1.967 744 HA MET 98 HA MET 98 -4.301 8.507 -0.005 745 HB2 MET 98 1HB MET 98 -2.626 7.051 -0.892 746 HB3 MET 98 2HB MET 98 -3.303 5.660 -0.056 747 HG2 MET 98 1HG MET 98 -5.425 6.308 -1.513 748 HG3 MET 98 2HG MET 98 -4.174 6.988 -2.551 749 HE1 MET 98 1HE MET 98 -4.954 4.928 -4.617 750 HE2 MET 98 2HE MET 98 -3.537 5.945 -4.351 751 HE3 MET 98 3HE MET 98 -3.338 4.224 -4.684 752 H GLU 99 H GLU 99 -6.435 8.562 -0.292 753 HA GLU 99 HA GLU 99 -8.080 6.646 1.207 754 HB2 GLU 99 1HB GLU 99 -8.575 9.441 0.219 755 HB3 GLU 99 2HB GLU 99 -9.910 8.389 0.669 756 HG2 GLU 99 1HG GLU 99 -8.877 8.127 2.908 757 HG3 GLU 99 2HG GLU 99 -7.659 9.311 2.438 758 H VAL 100 H VAL 100 -9.153 5.120 0.152 759 HA VAL 100 HA VAL 100 -10.008 5.596 -2.609 760 HB VAL 100 HB VAL 100 -8.436 3.179 -1.711 761 HG11 VAL 100 1HG1 VAL 100 -8.716 2.744 -4.310 762 HG12 VAL 100 2HG1 VAL 100 -9.898 2.162 -3.136 763 HG13 VAL 100 3HG1 VAL 100 -10.212 3.641 -4.046 764 HG21 VAL 100 1HG2 VAL 100 -7.682 5.648 -2.919 765 HG22 VAL 100 2HG2 VAL 100 -6.667 4.270 -2.492 766 HG23 VAL 100 3HG2 VAL 100 -7.428 4.345 -4.081 767 H GLU 101 H GLU 101 -11.945 4.704 -3.123 768 HA GLU 101 HA GLU 101 -13.241 3.069 -1.041 769 HB2 GLU 101 1HB GLU 101 -14.073 5.494 -1.662 770 HB3 GLU 101 2HB GLU 101 -14.828 4.659 -3.012 771 HG2 GLU 101 1HG GLU 101 -15.727 3.071 -1.141 772 HG3 GLU 101 2HG GLU 101 -15.398 4.453 -0.098 773 H THR 102 H THR 102 -13.955 1.114 -1.598 774 HA THR 102 HA THR 102 -13.445 0.088 -4.215 775 HB THR 102 HB THR 102 -14.695 -1.963 -3.268 776 HG1 THR 102 1HG THR 102 -14.966 -1.940 -1.028 777 HG21 THR 102 1HG2 THR 102 -12.060 -0.935 -2.842 778 HG22 THR 102 2HG2 THR 102 -12.582 -2.612 -2.993 779 HG23 THR 102 3HG2 THR 102 -12.568 -1.832 -1.412 780 H GLY 103 H GLY 103 -15.198 -1.271 -5.326 781 HA2 GLY 103 1HA GLY 103 -17.303 0.495 -6.095 782 HA3 GLY 103 2HA GLY 103 -17.076 -1.156 -6.655 783 H LYS 104 H LYS 104 -19.240 0.752 -5.225 784 HA LYS 104 HA LYS 104 -20.124 -0.667 -2.969 785 HB2 LYS 104 1HB LYS 104 -21.461 1.216 -4.889 786 HB3 LYS 104 2HB LYS 104 -22.389 0.424 -3.622 787 HG2 LYS 104 1HG LYS 104 -20.427 1.366 -2.112 788 HG3 LYS 104 2HG LYS 104 -20.324 2.540 -3.427 789 HD2 LYS 104 1HD LYS 104 -22.600 3.193 -3.119 790 HD3 LYS 104 2HD LYS 104 -22.886 1.867 -1.990 791 HE2 LYS 104 1HE LYS 104 -20.779 3.907 -1.407 792 HE3 LYS 104 2HE LYS 104 -22.474 4.275 -1.090 793 HZ1 LYS 104 1HZ LYS 104 -22.510 2.131 0.210 794 HZ2 LYS 104 2HZ LYS 104 -21.622 3.398 0.895 795 HZ3 LYS 104 3HZ LYS 104 -20.821 2.132 0.108 796 HA PRO 105 HA PRO 105 -21.990 -4.290 -4.615 797 HB2 PRO 105 1HB PRO 105 -23.911 -4.730 -2.748 798 HB3 PRO 105 2HB PRO 105 -22.192 -5.008 -2.442 799 HG2 PRO 105 1HG PRO 105 -23.895 -2.664 -1.688 800 HG3 PRO 105 2HG PRO 105 -22.673 -3.515 -0.725 801 HD2 PRO 105 1HD PRO 105 -22.169 -1.164 -1.970 802 HD3 PRO 105 2HD PRO 105 -20.923 -2.407 -1.736 803 H SER 106 H SER 106 -24.089 -1.590 -3.741 804 HA SER 106 HA SER 106 -26.530 -2.200 -4.625 805 HB2 SER 106 1HB SER 106 -26.822 0.104 -5.380 806 HB3 SER 106 2HB SER 106 -25.840 0.072 -3.916 807 HG SER 106 HG SER 106 -24.496 1.200 -5.073 808 H GLY 107 H GLY 107 -23.813 -1.429 -6.779 809 HA2 GLY 107 1HA GLY 107 -24.786 -3.175 -8.814 810 HA3 GLY 107 2HA GLY 107 -25.089 -1.494 -9.224 811 HA PRO 108 HA PRO 108 -20.854 -2.680 -10.739 812 HB2 PRO 108 1HB PRO 108 -21.211 -1.709 -13.249 813 HB3 PRO 108 2HB PRO 108 -21.664 -3.352 -12.781 814 HG2 PRO 108 1HG PRO 108 -23.383 -0.916 -13.048 815 HG3 PRO 108 2HG PRO 108 -23.709 -2.577 -13.574 816 HD2 PRO 108 1HD PRO 108 -24.751 -1.539 -11.301 817 HD3 PRO 108 2HD PRO 108 -24.335 -3.258 -11.463 818 H SER 109 H SER 109 -19.292 -1.151 -11.933 819 HA SER 109 HA SER 109 -19.220 1.311 -10.481 820 HB2 SER 109 1HB SER 109 -17.256 -0.217 -11.343 821 HB3 SER 109 2HB SER 109 -17.399 0.771 -12.797 822 HG SER 109 HG SER 109 -15.987 1.858 -11.545 823 H SER 110 H SER 110 -19.501 0.499 -13.934 824 HA SER 110 HA SER 110 -20.468 3.238 -14.420 825 HB2 SER 110 1HB SER 110 -19.654 3.093 -16.638 826 HB3 SER 110 2HB SER 110 -18.384 2.383 -15.643 827 HG SER 110 HG SER 110 -18.691 0.540 -16.602 828 H GLY 111 H GLY 111 -22.220 3.519 -15.936 829 HA2 GLY 111 1HA GLY 111 -23.762 1.306 -16.861 830 HA3 GLY 111 2HA GLY 111 -24.464 1.999 -15.407 Start of MODEL 2 1 H1 GLY 1 H GLY 1 31.193 -4.812 18.818 2 HA2 GLY 1 1HA GLY 1 28.457 -4.537 17.877 3 HA3 GLY 1 2HA GLY 1 29.236 -3.042 18.373 4 H SER 2 H SER 2 29.503 -2.010 16.473 5 HA SER 2 HA SER 2 30.996 -3.437 14.369 6 HB2 SER 2 1HB SER 2 29.932 -1.878 12.755 7 HB3 SER 2 2HB SER 2 28.750 -2.868 13.612 8 HG SER 2 HG SER 2 29.345 -0.476 14.837 9 H SER 3 H SER 3 32.234 -1.880 12.915 10 HA SER 3 HA SER 3 33.465 0.244 14.545 11 HB2 SER 3 1HB SER 3 34.740 -1.916 12.901 12 HB3 SER 3 2HB SER 3 35.568 -0.371 13.103 13 HG SER 3 HG SER 3 35.139 -0.758 15.447 14 H GLY 4 H GLY 4 34.729 1.826 13.156 15 HA2 GLY 4 1HA GLY 4 34.389 3.593 11.688 16 HA3 GLY 4 2HA GLY 4 34.597 2.298 10.519 17 H SER 5 H SER 5 33.077 2.279 9.019 18 HA SER 5 HA SER 5 30.620 3.698 9.328 19 HB2 SER 5 1HB SER 5 31.901 2.086 7.166 20 HB3 SER 5 2HB SER 5 30.165 2.381 7.066 21 HG SER 5 HG SER 5 31.951 3.985 6.227 22 H SER 6 H SER 6 29.202 2.894 10.767 23 HA SER 6 HA SER 6 28.801 0.325 11.593 24 HB2 SER 6 1HB SER 6 26.688 2.458 11.202 25 HB3 SER 6 2HB SER 6 26.481 1.001 12.173 26 HG SER 6 HG SER 6 27.882 1.759 13.644 27 H GLY 7 H GLY 7 27.223 1.913 8.830 28 HA2 GLY 7 1HA GLY 7 27.196 -0.247 7.128 29 HA3 GLY 7 2HA GLY 7 25.731 -0.411 8.086 30 H GLN 8 H GLN 8 24.085 0.176 6.831 31 HA GLN 8 HA GLN 8 24.375 2.608 5.198 32 HB2 GLN 8 1HB GLN 8 22.819 0.082 4.831 33 HB3 GLN 8 2HB GLN 8 22.213 1.568 4.111 34 HG2 GLN 8 1HG GLN 8 23.448 0.717 2.389 35 HG3 GLN 8 2HG GLN 8 24.635 1.761 3.168 36 HE21 GLN 8 1HE2 GLN 8 26.224 0.792 4.521 37 HE22 GLN 8 2HE2 GLN 8 26.687 -0.856 4.288 38 H ALA 9 H ALA 9 22.103 3.640 4.786 39 HA ALA 9 HA ALA 9 20.927 4.111 7.435 40 HB1 ALA 9 1HB ALA 9 20.533 5.847 5.017 41 HB2 ALA 9 2HB ALA 9 20.328 6.264 6.719 42 HB3 ALA 9 3HB ALA 9 21.944 6.003 6.063 43 H ALA 10 H ALA 10 18.548 4.776 7.342 44 HA ALA 10 HA ALA 10 17.056 2.588 6.314 45 HB1 ALA 10 1HB ALA 10 15.768 3.254 7.996 46 HB2 ALA 10 2HB ALA 10 16.605 4.804 8.093 47 HB3 ALA 10 3HB ALA 10 15.243 4.604 6.990 48 HA PRO 11 HA PRO 11 16.017 4.013 2.284 49 HB2 PRO 11 1HB PRO 11 13.674 2.690 1.925 50 HB3 PRO 11 2HB PRO 11 15.247 1.885 1.888 51 HG2 PRO 11 1HG PRO 11 13.255 2.050 4.117 52 HG3 PRO 11 2HG PRO 11 14.202 0.656 3.563 53 HD2 PRO 11 1HD PRO 11 14.892 2.115 5.738 54 HD3 PRO 11 2HD PRO 11 16.095 1.334 4.691 55 H SER 12 H SER 12 14.933 5.676 1.365 56 HA SER 12 HA SER 12 13.522 7.510 2.910 57 HB2 SER 12 1HB SER 12 12.856 8.530 0.715 58 HB3 SER 12 2HB SER 12 14.584 8.212 0.862 59 HG SER 12 HG SER 12 13.902 6.091 -0.200 60 H GLN 13 H GLN 13 11.260 8.299 2.390 61 HA GLN 13 HA GLN 13 9.458 5.990 2.465 62 HB2 GLN 13 1HB GLN 13 9.221 7.413 4.370 63 HB3 GLN 13 2HB GLN 13 9.130 8.851 3.362 64 HG2 GLN 13 1HG GLN 13 7.024 7.615 2.380 65 HG3 GLN 13 2HG GLN 13 7.060 6.806 3.946 66 HE21 GLN 13 1HE2 GLN 13 5.623 9.205 2.377 67 HE22 GLN 13 2HE2 GLN 13 5.327 10.312 3.670 68 H VAL 14 H VAL 14 8.027 5.587 0.896 69 HA VAL 14 HA VAL 14 8.156 6.957 -1.573 70 HB VAL 14 HB VAL 14 6.123 4.968 -0.557 71 HG11 VAL 14 1HG1 VAL 14 4.913 5.769 -2.289 72 HG12 VAL 14 2HG1 VAL 14 6.321 6.464 -3.093 73 HG13 VAL 14 3HG1 VAL 14 5.990 4.737 -3.229 74 HG21 VAL 14 1HG2 VAL 14 8.530 4.651 -2.347 75 HG22 VAL 14 2HG2 VAL 14 8.372 4.064 -0.691 76 HG23 VAL 14 3HG2 VAL 14 7.366 3.381 -1.968 77 H VAL 15 H VAL 15 7.159 8.739 -2.232 78 HA VAL 15 HA VAL 15 4.784 9.651 -0.740 79 HB VAL 15 HB VAL 15 5.421 11.958 -1.443 80 HG11 VAL 15 1HG1 VAL 15 5.936 11.391 0.780 81 HG12 VAL 15 2HG1 VAL 15 7.275 10.350 0.291 82 HG13 VAL 15 3HG1 VAL 15 7.414 12.101 0.131 83 HG21 VAL 15 1HG2 VAL 15 6.819 11.293 -3.368 84 HG22 VAL 15 2HG2 VAL 15 7.651 12.396 -2.271 85 HG23 VAL 15 3HG2 VAL 15 8.030 10.674 -2.245 86 H VAL 16 H VAL 16 5.211 7.994 -3.293 87 HA VAL 16 HA VAL 16 3.284 9.509 -4.913 88 HB VAL 16 HB VAL 16 5.360 9.813 -6.069 89 HG11 VAL 16 1HG1 VAL 16 6.444 7.812 -4.915 90 HG12 VAL 16 2HG1 VAL 16 5.756 6.840 -6.218 91 HG13 VAL 16 3HG1 VAL 16 6.905 8.127 -6.588 92 HG21 VAL 16 1HG2 VAL 16 4.123 9.548 -7.901 93 HG22 VAL 16 2HG2 VAL 16 4.737 7.897 -7.990 94 HG23 VAL 16 3HG2 VAL 16 3.211 8.227 -7.170 95 H ILE 17 H ILE 17 1.477 8.349 -4.882 96 HA ILE 17 HA ILE 17 1.621 5.504 -5.545 97 HB ILE 17 HB ILE 17 0.156 6.615 -3.153 98 HG12 ILE 17 1HG1 ILE 17 2.063 4.288 -3.228 99 HG13 ILE 17 2HG1 ILE 17 2.647 5.940 -3.062 100 HG21 ILE 17 1HG2 ILE 17 -1.383 5.040 -3.415 101 HG22 ILE 17 2HG2 ILE 17 -0.574 4.451 -4.866 102 HG23 ILE 17 3HG2 ILE 17 -0.121 3.814 -3.285 103 HD11 ILE 17 1HD1 ILE 17 0.838 4.447 -1.184 104 HD12 ILE 17 2HD1 ILE 17 2.493 4.983 -0.893 105 HD13 ILE 17 3HD1 ILE 17 1.197 6.169 -1.051 106 H ARG 18 H ARG 18 0.015 4.820 -6.860 107 HA ARG 18 HA ARG 18 -2.297 6.587 -7.270 108 HB2 ARG 18 1HB ARG 18 -0.761 5.276 -9.518 109 HB3 ARG 18 2HB ARG 18 -2.127 6.372 -9.669 110 HG2 ARG 18 1HG ARG 18 -0.871 8.223 -9.254 111 HG3 ARG 18 2HG ARG 18 0.278 7.351 -8.238 112 HD2 ARG 18 1HD ARG 18 1.179 6.254 -10.260 113 HD3 ARG 18 2HD ARG 18 0.076 7.216 -11.244 114 HE ARG 18 HE ARG 18 2.521 8.100 -10.002 115 HH11 ARG 18 2HH1 ARG 18 -0.544 9.062 -11.344 116 HH12 ARG 18 1HH1 ARG 18 -0.029 10.677 -11.701 117 HH21 ARG 18 2HH2 ARG 18 3.212 10.224 -10.467 118 HH22 ARG 18 1HH2 ARG 18 2.108 11.337 -11.203 119 H GLN 19 H GLN 19 -3.967 5.421 -8.716 120 HA GLN 19 HA GLN 19 -4.122 2.604 -7.863 121 HB2 GLN 19 1HB GLN 19 -5.772 3.863 -6.661 122 HB3 GLN 19 2HB GLN 19 -6.310 4.666 -8.130 123 HG2 GLN 19 1HG GLN 19 -6.794 2.171 -8.871 124 HG3 GLN 19 2HG GLN 19 -6.901 1.944 -7.127 125 HE21 GLN 19 1HE2 GLN 19 -8.502 3.063 -5.966 126 HE22 GLN 19 2HE2 GLN 19 -9.907 3.693 -6.749 127 H GLU 20 H GLU 20 -3.940 1.246 -9.507 128 HA GLU 20 HA GLU 20 -4.245 2.085 -12.223 129 HB2 GLU 20 1HB GLU 20 -3.478 -0.423 -10.823 130 HB3 GLU 20 2HB GLU 20 -4.077 -0.575 -12.469 131 HG2 GLU 20 1HG GLU 20 -1.966 1.439 -11.915 132 HG3 GLU 20 2HG GLU 20 -1.519 -0.265 -11.956 133 H ARG 21 H ARG 21 -5.975 -0.313 -10.228 134 HA ARG 21 HA ARG 21 -8.443 0.342 -11.637 135 HB2 ARG 21 1HB ARG 21 -7.530 -2.523 -11.367 136 HB3 ARG 21 2HB ARG 21 -8.960 -1.932 -12.202 137 HG2 ARG 21 1HG ARG 21 -7.417 -0.720 -13.770 138 HG3 ARG 21 2HG ARG 21 -6.086 -1.597 -13.013 139 HD2 ARG 21 1HD ARG 21 -7.311 -3.721 -13.573 140 HD3 ARG 21 2HD ARG 21 -8.424 -2.742 -14.527 141 HE ARG 21 HE ARG 21 -6.012 -2.048 -15.518 142 HH11 ARG 21 2HH1 ARG 21 -7.551 -5.118 -14.945 143 HH12 ARG 21 1HH1 ARG 21 -6.739 -5.916 -16.251 144 HH21 ARG 21 2HH2 ARG 21 -4.937 -3.087 -17.240 145 HH22 ARG 21 1HH2 ARG 21 -5.252 -4.760 -17.556 146 H ALA 22 H ALA 22 -10.151 0.371 -10.307 147 HA ALA 22 HA ALA 22 -9.773 -0.682 -7.587 148 HB1 ALA 22 1HB ALA 22 -10.238 1.507 -7.204 149 HB2 ALA 22 2HB ALA 22 -11.178 1.683 -8.687 150 HB3 ALA 22 3HB ALA 22 -11.892 0.899 -7.278 151 H GLY 23 H GLY 23 -10.680 -2.615 -7.309 152 HA2 GLY 23 1HA GLY 23 -13.074 -3.323 -8.839 153 HA3 GLY 23 2HA GLY 23 -12.060 -4.433 -7.929 154 H GLN 24 H GLN 24 -14.343 -5.110 -7.311 155 HA GLN 24 HA GLN 24 -15.788 -3.454 -5.487 156 HB2 GLN 24 1HB GLN 24 -16.552 -5.508 -6.975 157 HB3 GLN 24 2HB GLN 24 -16.151 -6.415 -5.523 158 HG2 GLN 24 1HG GLN 24 -17.639 -4.536 -4.395 159 HG3 GLN 24 2HG GLN 24 -18.337 -4.479 -6.012 160 HE21 GLN 24 1HE2 GLN 24 -19.954 -5.807 -6.384 161 HE22 GLN 24 2HE2 GLN 24 -20.301 -7.259 -5.516 162 H THR 25 H THR 25 -13.901 -6.448 -5.055 163 HA THR 25 HA THR 25 -13.527 -5.686 -2.231 164 HB THR 25 HB THR 25 -13.231 -8.076 -1.724 165 HG1 THR 25 1HG THR 25 -13.910 -8.426 -4.472 166 HG21 THR 25 1HG2 THR 25 -15.744 -7.015 -2.898 167 HG22 THR 25 2HG2 THR 25 -15.408 -7.574 -1.259 168 HG23 THR 25 3HG2 THR 25 -15.675 -8.742 -2.553 169 H SER 26 H SER 26 -11.939 -5.222 -4.835 170 HA SER 26 HA SER 26 -9.345 -5.771 -3.632 171 HB2 SER 26 1HB SER 26 -8.464 -6.679 -5.797 172 HB3 SER 26 2HB SER 26 -9.632 -7.736 -5.005 173 HG SER 26 HG SER 26 -10.276 -7.640 -7.093 174 H VAL 27 H VAL 27 -7.753 -4.327 -4.224 175 HA VAL 27 HA VAL 27 -8.401 -2.321 -6.260 176 HB VAL 27 HB VAL 27 -7.542 -1.645 -3.443 177 HG11 VAL 27 1HG1 VAL 27 -6.741 -0.304 -5.616 178 HG12 VAL 27 2HG1 VAL 27 -8.309 0.465 -5.367 179 HG13 VAL 27 3HG1 VAL 27 -7.102 0.483 -4.080 180 HG21 VAL 27 1HG2 VAL 27 -10.074 -0.877 -4.884 181 HG22 VAL 27 2HG2 VAL 27 -9.952 -2.241 -3.773 182 HG23 VAL 27 3HG2 VAL 27 -9.675 -0.601 -3.189 183 H SER 28 H SER 28 -6.720 -1.879 -7.531 184 HA SER 28 HA SER 28 -4.115 -2.989 -6.828 185 HB2 SER 28 1HB SER 28 -4.997 -3.526 -9.042 186 HB3 SER 28 2HB SER 28 -5.134 -1.810 -9.425 187 HG SER 28 HG SER 28 -2.726 -1.893 -8.851 188 H LEU 29 H LEU 29 -2.212 -1.795 -6.782 189 HA LEU 29 HA LEU 29 -2.541 1.131 -6.721 190 HB2 LEU 29 1HB LEU 29 -0.861 -0.584 -4.899 191 HB3 LEU 29 2HB LEU 29 -0.830 1.178 -4.934 192 HG LEU 29 HG LEU 29 -3.257 -0.468 -4.224 193 HD11 LEU 29 1HD1 LEU 29 -2.728 -0.342 -2.013 194 HD12 LEU 29 2HD1 LEU 29 -1.751 1.112 -2.211 195 HD13 LEU 29 3HD1 LEU 29 -1.103 -0.456 -2.691 196 HD21 LEU 29 1HD2 LEU 29 -2.678 2.472 -3.874 197 HD22 LEU 29 2HD2 LEU 29 -4.162 1.630 -3.428 198 HD23 LEU 29 3HD2 LEU 29 -3.710 1.780 -5.126 199 H LEU 30 H LEU 30 -0.706 2.375 -7.326 200 HA LEU 30 HA LEU 30 1.487 0.925 -8.613 201 HB2 LEU 30 1HB LEU 30 -0.502 1.710 -10.165 202 HB3 LEU 30 2HB LEU 30 0.330 3.259 -10.051 203 HG LEU 30 HG LEU 30 2.390 2.108 -10.907 204 HD11 LEU 30 1HD1 LEU 30 1.945 -0.167 -10.401 205 HD12 LEU 30 2HD1 LEU 30 1.951 -0.025 -12.158 206 HD13 LEU 30 3HD1 LEU 30 0.421 -0.136 -11.288 207 HD21 LEU 30 1HD2 LEU 30 0.529 3.369 -12.253 208 HD22 LEU 30 2HD2 LEU 30 0.219 1.767 -12.922 209 HD23 LEU 30 3HD2 LEU 30 1.813 2.501 -13.094 210 H TRP 31 H TRP 31 3.244 1.650 -7.617 211 HA TRP 31 HA TRP 31 3.529 4.554 -7.233 212 HB2 TRP 31 1HB TRP 31 4.664 4.172 -5.111 213 HB3 TRP 31 2HB TRP 31 3.055 3.456 -5.070 214 HD1 TRP 31 HD TRP 31 6.727 2.564 -4.848 215 HE1 TRP 31 1HE TRP 31 6.958 0.069 -4.259 216 HE3 TRP 31 3HE TRP 31 1.849 1.141 -5.412 217 HZ2 TRP 31 2HZ TRP 31 5.293 -2.202 -4.060 218 HZ3 TRP 31 3HZ TRP 31 1.252 -1.210 -5.004 219 HH2 TRP 31 HH TRP 31 2.940 -2.846 -4.342 220 H GLN 32 H GLN 32 5.546 5.416 -7.621 221 HA GLN 32 HA GLN 32 7.381 3.663 -9.072 222 HB2 GLN 32 1HB GLN 32 8.271 5.611 -10.085 223 HB3 GLN 32 2HB GLN 32 6.527 5.837 -10.056 224 HG2 GLN 32 1HG GLN 32 6.627 7.507 -8.501 225 HG3 GLN 32 2HG GLN 32 8.134 6.918 -7.803 226 HE21 GLN 32 1HE2 GLN 32 10.057 7.087 -9.259 227 HE22 GLN 32 2HE2 GLN 32 10.201 8.517 -10.216 228 H GLU 33 H GLU 33 9.736 4.032 -8.780 229 HA GLU 33 HA GLU 33 10.560 3.510 -6.194 230 HB2 GLU 33 1HB GLU 33 11.938 4.375 -8.685 231 HB3 GLU 33 2HB GLU 33 12.839 4.486 -7.180 232 HG2 GLU 33 1HG GLU 33 12.933 2.228 -6.901 233 HG3 GLU 33 2HG GLU 33 11.426 1.946 -7.771 234 HA PRO 34 HA PRO 34 10.422 7.408 -4.138 235 HB2 PRO 34 1HB PRO 34 12.083 6.821 -2.072 236 HB3 PRO 34 2HB PRO 34 10.433 6.198 -2.184 237 HG2 PRO 34 1HG PRO 34 13.016 4.854 -2.878 238 HG3 PRO 34 2HG PRO 34 11.610 4.200 -2.018 239 HD2 PRO 34 1HD PRO 34 12.081 3.694 -4.636 240 HD3 PRO 34 2HD PRO 34 10.441 3.811 -3.966 241 H GLU 35 H GLU 35 11.843 9.157 -3.422 242 HA GLU 35 HA GLU 35 13.670 9.994 -5.266 243 HB2 GLU 35 1HB GLU 35 13.742 10.629 -2.311 244 HB3 GLU 35 2HB GLU 35 14.503 11.573 -3.583 245 HG2 GLU 35 1HG GLU 35 12.267 11.986 -4.555 246 HG3 GLU 35 2HG GLU 35 11.553 11.139 -3.184 247 H GLN 36 H GLN 36 14.695 8.877 -2.038 248 HA GLN 36 HA GLN 36 17.018 7.598 -3.312 249 HB2 GLN 36 1HB GLN 36 17.006 9.280 -0.802 250 HB3 GLN 36 2HB GLN 36 18.367 8.298 -1.327 251 HG2 GLN 36 1HG GLN 36 18.068 9.688 -3.546 252 HG3 GLN 36 2HG GLN 36 17.313 10.837 -2.443 253 HE21 GLN 36 1HE2 GLN 36 18.662 12.337 -1.795 254 HE22 GLN 36 2HE2 GLN 36 20.347 12.133 -1.476 255 HA PRO 37 HA PRO 37 15.068 4.289 -0.926 256 HB2 PRO 37 1HB PRO 37 16.333 2.293 -2.262 257 HB3 PRO 37 2HB PRO 37 14.896 3.108 -2.889 258 HG2 PRO 37 1HG PRO 37 17.777 3.560 -3.567 259 HG3 PRO 37 2HG PRO 37 16.372 3.480 -4.647 260 HD2 PRO 37 1HD PRO 37 17.478 5.825 -3.864 261 HD3 PRO 37 2HD PRO 37 15.742 5.650 -4.192 262 H ASN 38 H ASN 38 18.376 5.160 -1.382 263 HA ASN 38 HA ASN 38 20.274 4.792 -0.182 264 HB2 ASN 38 1HB ASN 38 18.142 4.399 1.907 265 HB3 ASN 38 2HB ASN 38 19.850 4.241 2.305 266 HD21 ASN 38 1HD2 ASN 38 17.547 6.244 2.816 267 HD22 ASN 38 2HD2 ASN 38 18.311 7.774 2.570 268 H GLY 39 H GLY 39 19.436 2.642 -1.769 269 HA2 GLY 39 1HA GLY 39 20.930 0.609 -1.651 270 HA3 GLY 39 2HA GLY 39 20.154 0.312 -0.102 271 H ILE 40 H ILE 40 19.963 -1.752 -1.628 272 HA ILE 40 HA ILE 40 17.754 -1.677 -3.464 273 HB ILE 40 HB ILE 40 19.206 -4.041 -2.268 274 HG12 ILE 40 1HG1 ILE 40 20.013 -4.045 -4.793 275 HG13 ILE 40 2HG1 ILE 40 19.645 -2.328 -4.675 276 HG21 ILE 40 1HG2 ILE 40 17.077 -3.820 -4.363 277 HG22 ILE 40 2HG2 ILE 40 18.220 -5.162 -4.364 278 HG23 ILE 40 3HG2 ILE 40 17.163 -4.905 -2.976 279 HD11 ILE 40 1HD1 ILE 40 21.603 -1.984 -3.720 280 HD12 ILE 40 2HD1 ILE 40 21.150 -3.051 -2.391 281 HD13 ILE 40 3HD1 ILE 40 21.958 -3.709 -3.813 282 H ILE 41 H ILE 41 15.668 -1.882 -3.004 283 HA ILE 41 HA ILE 41 14.851 -2.423 -0.275 284 HB ILE 41 HB ILE 41 13.198 -1.721 -2.703 285 HG12 ILE 41 1HG1 ILE 41 13.746 0.070 -0.354 286 HG13 ILE 41 2HG1 ILE 41 14.896 -0.033 -1.683 287 HG21 ILE 41 1HG2 ILE 41 12.261 -1.478 0.125 288 HG22 ILE 41 2HG2 ILE 41 11.319 -1.592 -1.361 289 HG23 ILE 41 3HG2 ILE 41 12.136 -3.019 -0.723 290 HD11 ILE 41 1HD1 ILE 41 13.570 1.803 -2.202 291 HD12 ILE 41 2HD1 ILE 41 12.903 0.505 -3.192 292 HD13 ILE 41 3HD1 ILE 41 12.085 0.991 -1.707 293 H LEU 42 H LEU 42 14.426 -4.403 0.417 294 HA LEU 42 HA LEU 42 14.333 -6.682 -1.198 295 HB2 LEU 42 1HB LEU 42 13.103 -6.380 1.535 296 HB3 LEU 42 2HB LEU 42 13.628 -7.877 0.766 297 HG LEU 42 HG LEU 42 15.646 -5.739 1.266 298 HD11 LEU 42 1HD1 LEU 42 14.254 -6.045 3.355 299 HD12 LEU 42 2HD1 LEU 42 15.982 -6.358 3.516 300 HD13 LEU 42 3HD1 LEU 42 14.850 -7.705 3.396 301 HD21 LEU 42 1HD2 LEU 42 16.334 -8.466 1.916 302 HD22 LEU 42 2HD2 LEU 42 17.069 -7.367 0.748 303 HD23 LEU 42 3HD2 LEU 42 15.675 -8.345 0.284 304 H GLU 43 H GLU 43 11.642 -5.068 0.503 305 HA GLU 43 HA GLU 43 9.863 -5.595 -1.703 306 HB2 GLU 43 1HB GLU 43 8.248 -6.911 -0.450 307 HB3 GLU 43 2HB GLU 43 9.799 -7.738 -0.491 308 HG2 GLU 43 1HG GLU 43 10.214 -6.653 1.793 309 HG3 GLU 43 2HG GLU 43 8.481 -6.336 1.800 310 H TYR 44 H TYR 44 7.758 -4.586 -1.416 311 HA TYR 44 HA TYR 44 7.950 -2.255 0.354 312 HB2 TYR 44 1HB TYR 44 6.467 -2.798 -2.201 313 HB3 TYR 44 2HB TYR 44 5.970 -1.483 -1.142 314 HD1 TYR 44 1HD TYR 44 8.771 -2.776 -3.186 315 HD2 TYR 44 2HD TYR 44 7.171 0.559 -1.084 316 HE1 TYR 44 1HE TYR 44 10.481 -1.326 -4.197 317 HE2 TYR 44 2HE TYR 44 8.876 2.019 -2.090 318 HH TYR 44 HH TYR 44 10.388 1.646 -4.568 319 H GLU 45 H GLU 45 6.660 -2.031 2.061 320 HA GLU 45 HA GLU 45 4.621 -4.056 2.545 321 HB2 GLU 45 1HB GLU 45 6.188 -3.625 4.346 322 HB3 GLU 45 2HB GLU 45 5.786 -1.914 4.329 323 HG2 GLU 45 1HG GLU 45 3.630 -2.311 5.202 324 HG3 GLU 45 2HG GLU 45 3.759 -4.047 4.922 325 H ILE 46 H ILE 46 2.545 -3.704 2.156 326 HA ILE 46 HA ILE 46 1.619 -0.927 1.864 327 HB ILE 46 HB ILE 46 0.272 -3.413 0.810 328 HG12 ILE 46 1HG1 ILE 46 1.676 -1.473 -0.971 329 HG13 ILE 46 2HG1 ILE 46 2.648 -2.654 -0.100 330 HG21 ILE 46 1HG2 ILE 46 -0.841 -1.007 1.239 331 HG22 ILE 46 2HG2 ILE 46 -0.190 -0.753 -0.379 332 HG23 ILE 46 3HG2 ILE 46 -1.317 -2.076 -0.081 333 HD11 ILE 46 1HD1 ILE 46 2.118 -4.234 -1.551 334 HD12 ILE 46 2HD1 ILE 46 0.394 -3.931 -1.333 335 HD13 ILE 46 3HD1 ILE 46 1.310 -3.001 -2.519 336 H LYS 47 H LYS 47 0.639 -0.203 3.631 337 HA LYS 47 HA LYS 47 -0.912 -2.065 5.283 338 HB2 LYS 47 1HB LYS 47 0.636 -0.885 6.614 339 HB3 LYS 47 2HB LYS 47 0.300 0.640 5.804 340 HG2 LYS 47 1HG LYS 47 -1.969 0.610 6.807 341 HG3 LYS 47 2HG LYS 47 -1.505 -0.835 7.709 342 HD2 LYS 47 1HD LYS 47 0.056 0.328 8.998 343 HD3 LYS 47 2HD LYS 47 0.129 1.676 7.860 344 HE2 LYS 47 1HE LYS 47 -1.170 2.623 9.477 345 HE3 LYS 47 2HE LYS 47 -2.431 1.876 8.497 346 HZ1 LYS 47 1HZ LYS 47 -1.224 0.376 10.723 347 HZ2 LYS 47 2HZ LYS 47 -2.758 0.210 10.031 348 HZ3 LYS 47 3HZ LYS 47 -2.423 1.526 11.040 349 H TYR 48 H TYR 48 -3.038 -2.124 5.045 350 HA TYR 48 HA TYR 48 -4.469 0.349 4.374 351 HB2 TYR 48 1HB TYR 48 -5.961 -1.030 2.868 352 HB3 TYR 48 2HB TYR 48 -4.331 -0.751 2.265 353 HD1 TYR 48 1HD TYR 48 -2.599 -2.626 2.700 354 HD2 TYR 48 2HD TYR 48 -6.807 -3.196 2.968 355 HE1 TYR 48 1HE TYR 48 -2.282 -5.049 2.423 356 HE2 TYR 48 2HE TYR 48 -6.502 -5.621 2.693 357 HH TYR 48 HH TYR 48 -4.866 -7.306 2.895 358 H TYR 49 H TYR 49 -6.093 0.717 5.726 359 HA TYR 49 HA TYR 49 -7.427 -1.562 7.013 360 HB2 TYR 49 1HB TYR 49 -7.406 -0.444 9.164 361 HB3 TYR 49 2HB TYR 49 -5.754 -0.603 8.577 362 HD1 TYR 49 1HD TYR 49 -8.580 1.815 8.767 363 HD2 TYR 49 2HD TYR 49 -4.371 1.272 8.454 364 HE1 TYR 49 1HE TYR 49 -8.252 4.235 9.056 365 HE2 TYR 49 2HE TYR 49 -4.032 3.691 8.744 366 HH TYR 49 HH TYR 49 -6.175 5.918 8.268 367 H GLU 50 H GLU 50 -9.519 -0.932 8.027 368 HA GLU 50 HA GLU 50 -11.214 0.289 6.198 369 HB2 GLU 50 1HB GLU 50 -11.450 -0.508 9.059 370 HB3 GLU 50 2HB GLU 50 -12.698 0.535 8.392 371 HG2 GLU 50 1HG GLU 50 -13.503 -1.076 6.997 372 HG3 GLU 50 2HG GLU 50 -11.949 -1.897 6.867 373 H LYS 51 H LYS 51 -11.011 2.330 5.535 374 HA LYS 51 HA LYS 51 -9.835 4.462 6.756 375 HB2 LYS 51 1HB LYS 51 -10.491 4.710 4.498 376 HB3 LYS 51 2HB LYS 51 -12.174 4.352 4.863 377 HG2 LYS 51 1HG LYS 51 -12.150 6.646 4.495 378 HG3 LYS 51 2HG LYS 51 -12.133 6.501 6.255 379 HD2 LYS 51 1HD LYS 51 -9.732 6.865 6.286 380 HD3 LYS 51 2HD LYS 51 -9.698 6.928 4.522 381 HE2 LYS 51 1HE LYS 51 -10.742 8.990 4.447 382 HE3 LYS 51 2HE LYS 51 -11.468 8.795 6.042 383 HZ1 LYS 51 1HZ LYS 51 -9.730 9.766 6.991 384 HZ2 LYS 51 2HZ LYS 51 -9.193 10.199 5.447 385 HZ3 LYS 51 3HZ LYS 51 -8.622 8.781 6.174 386 H ASP 52 H ASP 52 -13.291 3.629 6.956 387 HA ASP 52 HA ASP 52 -13.873 5.695 8.840 388 HB2 ASP 52 1HB ASP 52 -15.357 3.417 7.627 389 HB3 ASP 52 2HB ASP 52 -15.978 4.079 9.137 390 H LYS 53 H LYS 53 -13.258 2.220 9.070 391 HA LYS 53 HA LYS 53 -13.389 2.387 11.993 392 HB2 LYS 53 1HB LYS 53 -13.071 -0.071 10.263 393 HB3 LYS 53 2HB LYS 53 -13.431 -0.032 11.984 394 HG2 LYS 53 1HG LYS 53 -15.234 1.051 9.829 395 HG3 LYS 53 2HG LYS 53 -15.397 -0.536 10.586 396 HD2 LYS 53 1HD LYS 53 -16.816 0.594 11.943 397 HD3 LYS 53 2HD LYS 53 -15.319 0.999 12.785 398 HE2 LYS 53 1HE LYS 53 -15.226 3.135 11.813 399 HE3 LYS 53 2HE LYS 53 -16.408 2.715 10.574 400 HZ1 LYS 53 1HZ LYS 53 -17.186 4.147 12.507 401 HZ2 LYS 53 2HZ LYS 53 -17.124 2.738 13.441 402 HZ3 LYS 53 3HZ LYS 53 -18.149 2.818 12.097 403 H GLU 54 H GLU 54 -11.502 3.180 12.745 404 HA GLU 54 HA GLU 54 -8.996 2.073 11.689 405 HB2 GLU 54 1HB GLU 54 -9.542 4.634 11.960 406 HB3 GLU 54 2HB GLU 54 -9.087 4.344 13.633 407 HG2 GLU 54 1HG GLU 54 -7.305 3.546 11.361 408 HG3 GLU 54 2HG GLU 54 -7.290 5.178 12.027 409 H MET 55 H MET 55 -8.535 0.233 12.748 410 HA MET 55 HA MET 55 -8.566 0.318 15.694 411 HB2 MET 55 1HB MET 55 -9.009 -2.060 15.718 412 HB3 MET 55 2HB MET 55 -10.232 -1.251 14.748 413 HG2 MET 55 1HG MET 55 -7.831 -2.377 13.399 414 HG3 MET 55 2HG MET 55 -9.109 -3.465 13.934 415 HE1 MET 55 1HE MET 55 -8.952 -1.451 10.033 416 HE2 MET 55 2HE MET 55 -7.919 -0.900 11.352 417 HE3 MET 55 3HE MET 55 -7.909 -2.598 10.874 418 H GLN 56 H GLN 56 -7.004 -1.345 16.649 419 HA GLN 56 HA GLN 56 -4.391 -0.685 15.872 420 HB2 GLN 56 1HB GLN 56 -5.477 -2.852 17.664 421 HB3 GLN 56 2HB GLN 56 -3.752 -2.605 17.422 422 HG2 GLN 56 1HG GLN 56 -3.890 -0.386 18.337 423 HG3 GLN 56 2HG GLN 56 -5.645 -0.509 18.458 424 HE21 GLN 56 1HE2 GLN 56 -6.468 -1.182 20.311 425 HE22 GLN 56 2HE2 GLN 56 -5.595 -1.965 21.579 426 H SER 57 H SER 57 -6.309 -3.617 15.328 427 HA SER 57 HA SER 57 -4.285 -5.088 14.029 428 HB2 SER 57 1HB SER 57 -6.346 -6.107 14.951 429 HB3 SER 57 2HB SER 57 -7.285 -5.319 13.683 430 HG SER 57 HG SER 57 -6.521 -7.602 13.366 431 H TYR 58 H TYR 58 -3.269 -4.426 12.256 432 HA TYR 58 HA TYR 58 -4.880 -3.267 10.077 433 HB2 TYR 58 1HB TYR 58 -2.969 -1.922 9.432 434 HB3 TYR 58 2HB TYR 58 -3.342 -1.626 11.127 435 HD1 TYR 58 2HD TYR 58 -1.979 -3.053 12.847 436 HD2 TYR 58 1HD TYR 58 -0.784 -2.394 8.817 437 HE1 TYR 58 2HE TYR 58 0.343 -3.587 13.455 438 HE2 TYR 58 1HE TYR 58 1.541 -2.928 9.413 439 HH TYR 58 HH TYR 58 2.958 -3.401 11.062 440 H SER 59 H SER 59 -4.223 -3.766 7.925 441 HA SER 59 HA SER 59 -2.992 -6.412 7.729 442 HB2 SER 59 1HB SER 59 -4.089 -6.649 5.638 443 HB3 SER 59 2HB SER 59 -5.263 -5.859 6.691 444 HG SER 59 HG SER 59 -5.328 -4.569 4.989 445 H THR 60 H THR 60 -1.352 -6.875 6.213 446 HA THR 60 HA THR 60 0.038 -4.578 5.035 447 HB THR 60 HB THR 60 2.212 -5.890 5.767 448 HG1 THR 60 1HG THR 60 1.725 -6.600 8.043 449 HG21 THR 60 1HG2 THR 60 2.271 -3.767 6.552 450 HG22 THR 60 2HG2 THR 60 1.866 -4.545 8.082 451 HG23 THR 60 3HG2 THR 60 0.597 -3.811 7.102 452 H LEU 61 H LEU 61 0.662 -4.949 3.004 453 HA LEU 61 HA LEU 61 0.750 -7.744 2.072 454 HB2 LEU 61 1HB LEU 61 -1.038 -6.048 1.213 455 HB3 LEU 61 2HB LEU 61 0.292 -5.433 0.235 456 HG LEU 61 HG LEU 61 0.544 -7.742 -0.711 457 HD11 LEU 61 1HD1 LEU 61 -1.703 -9.049 -0.481 458 HD12 LEU 61 2HD1 LEU 61 -1.828 -8.173 1.044 459 HD13 LEU 61 3HD1 LEU 61 -0.444 -9.223 0.742 460 HD21 LEU 61 1HD2 LEU 61 -0.602 -6.851 -2.386 461 HD22 LEU 61 2HD2 LEU 61 -1.383 -5.727 -1.273 462 HD23 LEU 61 3HD2 LEU 61 -2.112 -7.302 -1.593 463 H LYS 62 H LYS 62 2.598 -8.466 1.235 464 HA LYS 62 HA LYS 62 4.802 -6.571 0.905 465 HB2 LYS 62 1HB LYS 62 4.825 -9.594 0.966 466 HB3 LYS 62 2HB LYS 62 6.246 -8.560 0.907 467 HG2 LYS 62 1HG LYS 62 4.280 -8.261 3.133 468 HG3 LYS 62 2HG LYS 62 5.468 -9.566 3.166 469 HD2 LYS 62 1HD LYS 62 7.229 -8.139 3.436 470 HD3 LYS 62 2HD LYS 62 6.444 -6.829 2.551 471 HE2 LYS 62 1HE LYS 62 5.637 -7.754 5.305 472 HE3 LYS 62 2HE LYS 62 6.712 -6.393 4.988 473 HZ1 LYS 62 1HZ LYS 62 4.255 -5.906 5.362 474 HZ2 LYS 62 2HZ LYS 62 4.008 -6.519 3.805 475 HZ3 LYS 62 3HZ LYS 62 4.999 -5.167 4.034 476 H ALA 63 H ALA 63 5.848 -6.227 -0.997 477 HA ALA 63 HA ALA 63 5.201 -7.864 -3.320 478 HB1 ALA 63 1HB ALA 63 4.843 -5.647 -4.616 479 HB2 ALA 63 2HB ALA 63 3.512 -6.323 -3.676 480 HB3 ALA 63 3HB ALA 63 4.457 -4.982 -3.028 481 H VAL 64 H VAL 64 6.927 -8.153 -4.591 482 HA VAL 64 HA VAL 64 9.411 -6.860 -3.893 483 HB VAL 64 HB VAL 64 10.413 -8.331 -5.607 484 HG11 VAL 64 1HG1 VAL 64 8.642 -10.133 -4.044 485 HG12 VAL 64 2HG1 VAL 64 10.393 -10.175 -4.262 486 HG13 VAL 64 3HG1 VAL 64 9.668 -9.005 -3.158 487 HG21 VAL 64 1HG2 VAL 64 9.025 -10.025 -6.708 488 HG22 VAL 64 2HG2 VAL 64 7.580 -9.289 -6.015 489 HG23 VAL 64 3HG2 VAL 64 8.554 -8.392 -7.180 490 H THR 65 H THR 65 7.072 -6.734 -6.496 491 HA THR 65 HA THR 65 8.765 -4.912 -8.032 492 HB THR 65 HB THR 65 7.647 -6.670 -9.301 493 HG1 THR 65 1HG THR 65 6.255 -4.308 -9.976 494 HG21 THR 65 1HG2 THR 65 5.562 -6.372 -7.585 495 HG22 THR 65 2HG2 THR 65 5.462 -7.207 -9.136 496 HG23 THR 65 3HG2 THR 65 4.954 -5.523 -9.006 497 H THR 66 H THR 66 7.584 -3.003 -9.041 498 HA THR 66 HA THR 66 6.488 -1.416 -6.902 499 HB THR 66 HB THR 66 6.340 0.358 -8.741 500 HG1 THR 66 1HG THR 66 6.734 -1.689 -10.290 501 HG21 THR 66 1HG2 THR 66 8.299 -0.203 -7.065 502 HG22 THR 66 2HG2 THR 66 8.512 0.991 -8.345 503 HG23 THR 66 3HG2 THR 66 9.141 -0.644 -8.549 504 H ARG 67 H ARG 67 5.017 -3.722 -8.400 505 HA ARG 67 HA ARG 67 2.476 -2.263 -8.610 506 HB2 ARG 67 1HB ARG 67 3.252 -4.497 -10.487 507 HB3 ARG 67 2HB ARG 67 1.826 -3.471 -10.573 508 HG2 ARG 67 1HG ARG 67 3.176 -1.559 -11.136 509 HG3 ARG 67 2HG ARG 67 4.654 -2.498 -10.914 510 HD2 ARG 67 1HD ARG 67 3.709 -4.052 -12.718 511 HD3 ARG 67 2HD ARG 67 2.574 -2.747 -13.065 512 HE ARG 67 HE ARG 67 4.282 -1.555 -14.032 513 HH11 ARG 67 2HH1 ARG 67 5.599 -4.242 -12.254 514 HH12 ARG 67 1HH1 ARG 67 7.202 -4.039 -12.878 515 HH21 ARG 67 2HH2 ARG 67 6.388 -1.276 -14.861 516 HH22 ARG 67 1HH2 ARG 67 7.650 -2.351 -14.361 517 H ALA 68 H ALA 68 1.092 -3.053 -7.182 518 HA ALA 68 HA ALA 68 0.972 -5.946 -6.744 519 HB1 ALA 68 1HB ALA 68 1.206 -5.864 -4.450 520 HB2 ALA 68 2HB ALA 68 2.383 -4.661 -4.978 521 HB3 ALA 68 3HB ALA 68 0.811 -4.147 -4.365 522 H THR 69 H THR 69 -1.037 -6.682 -5.861 523 HA THR 69 HA THR 69 -3.233 -4.732 -6.128 524 HB THR 69 HB THR 69 -3.222 -7.630 -6.990 525 HG1 THR 69 1HG THR 69 -3.591 -5.228 -8.484 526 HG21 THR 69 1HG2 THR 69 -5.381 -7.243 -6.106 527 HG22 THR 69 2HG2 THR 69 -5.539 -7.024 -7.849 528 HG23 THR 69 3HG2 THR 69 -5.452 -5.619 -6.787 529 H VAL 70 H VAL 70 -4.511 -4.542 -4.408 530 HA VAL 70 HA VAL 70 -4.137 -6.343 -2.158 531 HB VAL 70 HB VAL 70 -5.794 -3.827 -2.392 532 HG11 VAL 70 1HG1 VAL 70 -4.966 -5.040 0.204 533 HG12 VAL 70 2HG1 VAL 70 -6.336 -3.990 -0.164 534 HG13 VAL 70 3HG1 VAL 70 -6.372 -5.687 -0.641 535 HG21 VAL 70 1HG2 VAL 70 -3.033 -4.121 -2.250 536 HG22 VAL 70 2HG2 VAL 70 -3.958 -2.655 -1.927 537 HG23 VAL 70 3HG2 VAL 70 -3.527 -3.735 -0.602 538 H SER 71 H SER 71 -5.439 -7.987 -1.713 539 HA SER 71 HA SER 71 -8.173 -7.957 -2.812 540 HB2 SER 71 1HB SER 71 -8.036 -10.230 -3.407 541 HB3 SER 71 2HB SER 71 -6.480 -9.569 -3.909 542 HG SER 71 HG SER 71 -5.637 -11.031 -2.673 543 H GLY 72 H GLY 72 -9.743 -9.230 -1.610 544 HA2 GLY 72 1HA GLY 72 -10.578 -10.252 0.325 545 HA3 GLY 72 2HA GLY 72 -9.021 -10.004 1.101 546 H LEU 73 H LEU 73 -11.078 -7.606 -0.496 547 HA LEU 73 HA LEU 73 -11.232 -6.175 2.073 548 HB2 LEU 73 1HB LEU 73 -11.546 -5.000 -0.681 549 HB3 LEU 73 2HB LEU 73 -11.389 -4.130 0.844 550 HG LEU 73 HG LEU 73 -9.182 -5.866 -0.231 551 HD11 LEU 73 1HD1 LEU 73 -9.333 -4.391 -1.991 552 HD12 LEU 73 2HD1 LEU 73 -8.242 -3.531 -0.905 553 HD13 LEU 73 3HD1 LEU 73 -9.945 -3.080 -0.983 554 HD21 LEU 73 1HD2 LEU 73 -9.266 -3.565 1.718 555 HD22 LEU 73 2HD2 LEU 73 -7.805 -4.396 1.184 556 HD23 LEU 73 3HD2 LEU 73 -9.027 -5.267 2.112 557 H LYS 74 H LYS 74 -13.197 -4.532 1.950 558 HA LYS 74 HA LYS 74 -15.562 -6.154 1.284 559 HB2 LYS 74 1HB LYS 74 -15.159 -4.026 3.389 560 HB3 LYS 74 2HB LYS 74 -16.724 -4.729 3.001 561 HG2 LYS 74 1HG LYS 74 -16.212 -6.746 3.955 562 HG3 LYS 74 2HG LYS 74 -14.475 -6.545 3.709 563 HD2 LYS 74 1HD LYS 74 -14.675 -6.252 5.994 564 HD3 LYS 74 2HD LYS 74 -14.734 -4.588 5.406 565 HE2 LYS 74 1HE LYS 74 -16.513 -4.618 6.867 566 HE3 LYS 74 2HE LYS 74 -17.310 -5.007 5.343 567 HZ1 LYS 74 1HZ LYS 74 -17.914 -6.983 6.117 568 HZ2 LYS 74 2HZ LYS 74 -17.426 -6.466 7.652 569 HZ3 LYS 74 3HZ LYS 74 -16.358 -7.343 6.677 570 HA PRO 75 HA PRO 75 -16.781 -3.152 -1.696 571 HB2 PRO 75 1HB PRO 75 -19.451 -3.641 -1.737 572 HB3 PRO 75 2HB PRO 75 -18.264 -4.732 -2.461 573 HG2 PRO 75 1HG PRO 75 -19.637 -4.919 0.192 574 HG3 PRO 75 2HG PRO 75 -19.319 -6.197 -0.995 575 HD2 PRO 75 1HD PRO 75 -17.796 -5.851 1.217 576 HD3 PRO 75 2HD PRO 75 -17.133 -6.459 -0.313 577 H GLY 76 H GLY 76 -17.862 -1.154 -1.912 578 HA2 GLY 76 1HA GLY 76 -18.465 0.915 -1.097 579 HA3 GLY 76 2HA GLY 76 -19.727 0.006 -0.279 580 H THR 77 H THR 77 -16.202 0.141 0.191 581 HA THR 77 HA THR 77 -16.593 1.362 2.810 582 HB THR 77 HB THR 77 -15.172 -1.286 2.460 583 HG1 THR 77 1HG THR 77 -17.338 -1.680 2.651 584 HG21 THR 77 1HG2 THR 77 -15.471 -0.686 5.175 585 HG22 THR 77 2HG2 THR 77 -14.880 0.800 4.433 586 HG23 THR 77 3HG2 THR 77 -13.972 -0.700 4.247 587 H ARG 78 H ARG 78 -15.223 3.007 2.890 588 HA ARG 78 HA ARG 78 -13.053 3.339 1.120 589 HB2 ARG 78 1HB ARG 78 -14.133 4.790 3.474 590 HB3 ARG 78 2HB ARG 78 -12.461 5.119 3.040 591 HG2 ARG 78 1HG ARG 78 -13.222 5.656 0.739 592 HG3 ARG 78 2HG ARG 78 -14.886 5.464 1.293 593 HD2 ARG 78 1HD ARG 78 -14.127 7.175 3.136 594 HD3 ARG 78 2HD ARG 78 -12.895 7.584 1.943 595 HE ARG 78 HE ARG 78 -15.727 8.132 1.786 596 HH11 ARG 78 2HH1 ARG 78 -12.725 7.844 0.047 597 HH12 ARG 78 1HH1 ARG 78 -13.247 8.830 -1.279 598 HH21 ARG 78 2HH2 ARG 78 -16.426 9.432 0.046 599 HH22 ARG 78 1HH2 ARG 78 -15.352 9.733 -1.278 600 H TYR 79 H TYR 79 -10.858 3.120 1.390 601 HA TYR 79 HA TYR 79 -9.908 1.925 3.898 602 HB2 TYR 79 1HB TYR 79 -9.715 0.784 1.142 603 HB3 TYR 79 2HB TYR 79 -8.385 0.516 2.263 604 HD1 TYR 79 2HD TYR 79 -8.935 -0.554 4.520 605 HD2 TYR 79 1HD TYR 79 -11.639 -0.546 1.235 606 HE1 TYR 79 2HE TYR 79 -10.165 -2.426 5.536 607 HE2 TYR 79 1HE TYR 79 -12.877 -2.417 2.243 608 HH TYR 79 HH TYR 79 -12.039 -3.665 5.441 609 H VAL 80 H VAL 80 -8.037 2.745 4.611 610 HA VAL 80 HA VAL 80 -6.732 4.787 2.988 611 HB VAL 80 HB VAL 80 -6.221 4.042 5.870 612 HG11 VAL 80 1HG1 VAL 80 -4.366 5.197 4.677 613 HG12 VAL 80 2HG1 VAL 80 -5.462 6.546 4.373 614 HG13 VAL 80 3HG1 VAL 80 -5.028 6.116 6.028 615 HG21 VAL 80 1HG2 VAL 80 -7.732 6.458 4.937 616 HG22 VAL 80 2HG2 VAL 80 -8.550 4.922 5.225 617 HG23 VAL 80 3HG2 VAL 80 -7.693 5.724 6.541 618 H PHE 81 H PHE 81 -5.289 3.955 1.598 619 HA PHE 81 HA PHE 81 -3.649 1.683 2.310 620 HB2 PHE 81 1HB PHE 81 -3.792 3.395 -0.175 621 HB3 PHE 81 2HB PHE 81 -2.685 2.038 0.008 622 HD1 PHE 81 1HD PHE 81 -3.599 -0.261 0.280 623 HD2 PHE 81 2HD PHE 81 -6.059 3.064 -0.726 624 HE1 PHE 81 1HE PHE 81 -5.352 -1.800 -0.504 625 HE2 PHE 81 2HE PHE 81 -7.816 1.531 -1.511 626 HZ PHE 81 HZ PHE 81 -7.464 -0.904 -1.400 627 H GLN 82 H GLN 82 -1.333 1.698 2.261 628 HA GLN 82 HA GLN 82 0.076 4.210 2.310 629 HB2 GLN 82 1HB GLN 82 -0.448 2.654 4.823 630 HB3 GLN 82 2HB GLN 82 1.018 3.611 4.655 631 HG2 GLN 82 1HG GLN 82 -0.549 5.547 4.056 632 HG3 GLN 82 2HG GLN 82 -1.828 4.535 4.726 633 HE21 GLN 82 1HE2 GLN 82 0.259 6.945 5.426 634 HE22 GLN 82 2HE2 GLN 82 0.379 6.750 7.138 635 H VAL 83 H VAL 83 1.573 3.559 0.873 636 HA VAL 83 HA VAL 83 2.853 0.956 1.178 637 HB VAL 83 HB VAL 83 3.295 3.032 -0.970 638 HG11 VAL 83 1HG1 VAL 83 4.963 1.048 -0.387 639 HG12 VAL 83 2HG1 VAL 83 3.817 0.141 -1.376 640 HG13 VAL 83 3HG1 VAL 83 4.642 1.548 -2.047 641 HG21 VAL 83 1HG2 VAL 83 0.955 1.779 -0.583 642 HG22 VAL 83 2HG2 VAL 83 1.576 2.192 -2.181 643 HG23 VAL 83 3HG2 VAL 83 1.786 0.559 -1.548 644 H ARG 84 H ARG 84 5.002 0.653 1.630 645 HA ARG 84 HA ARG 84 6.717 2.978 2.023 646 HB2 ARG 84 1HB ARG 84 7.282 2.466 4.278 647 HB3 ARG 84 2HB ARG 84 5.525 2.492 4.193 648 HG2 ARG 84 1HG ARG 84 5.403 0.121 4.253 649 HG3 ARG 84 2HG ARG 84 7.147 -0.034 4.033 650 HD2 ARG 84 1HD ARG 84 7.261 1.369 6.229 651 HD3 ARG 84 2HD ARG 84 5.604 0.808 6.449 652 HE ARG 84 HE ARG 84 6.399 -1.314 6.860 653 HH11 ARG 84 2HH1 ARG 84 8.966 0.699 5.642 654 HH12 ARG 84 1HH1 ARG 84 10.213 -0.447 6.005 655 HH21 ARG 84 2HH2 ARG 84 8.033 -2.831 7.343 656 HH22 ARG 84 1HH2 ARG 84 9.681 -2.455 6.973 657 H ALA 85 H ALA 85 8.974 2.435 2.219 658 HA ALA 85 HA ALA 85 9.593 -0.135 0.934 659 HB1 ALA 85 1HB ALA 85 10.532 1.366 -0.483 660 HB2 ALA 85 2HB ALA 85 10.773 2.576 0.778 661 HB3 ALA 85 3HB ALA 85 11.878 1.208 0.646 662 H ARG 86 H ARG 86 11.114 -1.519 1.770 663 HA ARG 86 HA ARG 86 12.362 -0.784 4.325 664 HB2 ARG 86 1HB ARG 86 10.323 -2.112 4.780 665 HB3 ARG 86 2HB ARG 86 10.964 -3.409 3.781 666 HG2 ARG 86 1HG ARG 86 12.986 -3.310 5.409 667 HG3 ARG 86 2HG ARG 86 11.848 -2.484 6.475 668 HD2 ARG 86 1HD ARG 86 10.369 -4.352 6.468 669 HD3 ARG 86 2HD ARG 86 11.276 -5.140 5.178 670 HE ARG 86 HE ARG 86 12.764 -5.915 6.741 671 HH11 ARG 86 2HH1 ARG 86 10.795 -3.420 8.161 672 HH12 ARG 86 1HH1 ARG 86 11.378 -3.694 9.770 673 HH21 ARG 86 2HH2 ARG 86 13.539 -6.286 8.854 674 HH22 ARG 86 1HH2 ARG 86 12.939 -5.324 10.162 675 H THR 87 H THR 87 14.401 -1.555 4.639 676 HA THR 87 HA THR 87 15.500 -3.341 2.570 677 HB THR 87 HB THR 87 17.629 -2.084 2.681 678 HG1 THR 87 1HG THR 87 16.668 -1.052 4.831 679 HG21 THR 87 1HG2 THR 87 16.759 0.017 1.541 680 HG22 THR 87 2HG2 THR 87 15.139 -0.599 1.867 681 HG23 THR 87 3HG2 THR 87 16.245 -1.520 0.848 682 H SER 88 H SER 88 17.737 -4.178 3.297 683 HA SER 88 HA SER 88 17.373 -5.678 5.657 684 HB2 SER 88 1HB SER 88 19.728 -6.404 5.291 685 HB3 SER 88 2HB SER 88 18.736 -6.536 3.839 686 HG SER 88 HG SER 88 19.702 -4.719 3.022 687 H ALA 89 H ALA 89 19.114 -2.708 4.967 688 HA ALA 89 HA ALA 89 20.556 -2.557 7.395 689 HB1 ALA 89 1HB ALA 89 19.662 -0.259 5.663 690 HB2 ALA 89 2HB ALA 89 21.003 -0.274 6.809 691 HB3 ALA 89 3HB ALA 89 21.083 -1.255 5.345 692 H GLY 90 H GLY 90 17.698 -0.664 6.378 693 HA2 GLY 90 1HA GLY 90 16.639 -0.881 9.097 694 HA3 GLY 90 2HA GLY 90 16.975 0.733 8.488 695 H CYS 91 H CYS 91 14.705 1.159 8.802 696 HA CYS 91 HA CYS 91 13.106 0.213 6.524 697 HB2 CYS 91 1HB CYS 91 11.138 0.012 7.899 698 HB3 CYS 91 2HB CYS 91 12.421 -0.946 8.628 699 HG CYS 91 HG CYS 91 12.772 0.506 10.818 700 H GLY 92 H GLY 92 11.271 1.658 6.007 701 HA2 GLY 92 1HA GLY 92 12.027 4.460 6.544 702 HA3 GLY 92 2HA GLY 92 11.237 3.902 5.077 703 H ARG 93 H ARG 93 9.787 5.739 5.641 704 HA ARG 93 HA ARG 93 7.890 5.120 7.783 705 HB2 ARG 93 1HB ARG 93 8.622 7.582 6.271 706 HB3 ARG 93 2HB ARG 93 6.986 7.459 6.903 707 HG2 ARG 93 1HG ARG 93 7.723 7.386 9.120 708 HG3 ARG 93 2HG ARG 93 9.379 7.001 8.647 709 HD2 ARG 93 1HD ARG 93 9.782 9.189 7.886 710 HD3 ARG 93 2HD ARG 93 8.065 9.588 7.873 711 HE ARG 93 HE ARG 93 9.852 9.651 10.138 712 HH11 ARG 93 2HH1 ARG 93 6.543 9.522 9.062 713 HH12 ARG 93 1HH1 ARG 93 5.902 10.166 10.537 714 HH21 ARG 93 2HH2 ARG 93 9.020 10.500 12.084 715 HH22 ARG 93 1HH2 ARG 93 7.311 10.723 12.255 716 H PHE 94 H PHE 94 5.545 5.919 7.117 717 HA PHE 94 HA PHE 94 4.824 4.290 4.797 718 HB2 PHE 94 1HB PHE 94 3.447 5.124 7.295 719 HB3 PHE 94 2HB PHE 94 2.442 4.893 5.868 720 HD1 PHE 94 1HD PHE 94 3.254 2.639 4.513 721 HD2 PHE 94 2HD PHE 94 3.492 3.331 8.706 722 HE1 PHE 94 1HE PHE 94 3.247 0.211 4.910 723 HE2 PHE 94 2HE PHE 94 3.487 0.904 9.110 724 HZ PHE 94 HZ PHE 94 3.365 -0.660 7.211 725 H SER 95 H SER 95 3.817 5.078 3.019 726 HA SER 95 HA SER 95 4.133 7.737 2.279 727 HB2 SER 95 1HB SER 95 3.637 5.628 0.835 728 HB3 SER 95 2HB SER 95 1.944 6.048 1.098 729 HG SER 95 HG SER 95 2.442 8.130 0.223 730 H GLN 96 H GLN 96 2.442 9.317 1.719 731 HA GLN 96 HA GLN 96 0.959 10.126 3.901 732 HB2 GLN 96 1HB GLN 96 0.634 10.739 0.967 733 HB3 GLN 96 2HB GLN 96 -0.341 11.518 2.207 734 HG2 GLN 96 1HG GLN 96 1.295 13.063 2.047 735 HG3 GLN 96 2HG GLN 96 2.053 12.007 3.238 736 HE21 GLN 96 1HE2 GLN 96 3.688 13.593 1.898 737 HE22 GLN 96 2HE2 GLN 96 4.588 12.725 0.707 738 H ALA 97 H ALA 97 -1.247 10.081 4.424 739 HA ALA 97 HA ALA 97 -2.548 7.641 4.155 740 HB1 ALA 97 1HB ALA 97 -3.010 10.067 5.498 741 HB2 ALA 97 2HB ALA 97 -4.476 9.713 4.583 742 HB3 ALA 97 3HB ALA 97 -3.841 8.528 5.724 743 H MET 98 H MET 98 -3.065 6.800 2.224 744 HA MET 98 HA MET 98 -4.193 8.495 0.142 745 HB2 MET 98 1HB MET 98 -2.449 6.877 -0.465 746 HB3 MET 98 2HB MET 98 -3.465 5.561 0.107 747 HG2 MET 98 1HG MET 98 -5.161 6.606 -1.634 748 HG3 MET 98 2HG MET 98 -3.663 7.179 -2.365 749 HE1 MET 98 1HE MET 98 -3.216 4.700 -4.764 750 HE2 MET 98 2HE MET 98 -4.957 4.904 -4.574 751 HE3 MET 98 3HE MET 98 -3.877 6.279 -4.342 752 H GLU 99 H GLU 99 -6.304 8.680 -0.208 753 HA GLU 99 HA GLU 99 -8.118 6.830 1.163 754 HB2 GLU 99 1HB GLU 99 -8.373 9.642 0.166 755 HB3 GLU 99 2HB GLU 99 -9.819 8.665 0.381 756 HG2 GLU 99 1HG GLU 99 -9.032 8.247 2.742 757 HG3 GLU 99 2HG GLU 99 -7.826 9.502 2.463 758 H VAL 100 H VAL 100 -9.206 5.340 0.068 759 HA VAL 100 HA VAL 100 -9.958 5.801 -2.707 760 HB VAL 100 HB VAL 100 -8.253 3.453 -1.867 761 HG11 VAL 100 1HG1 VAL 100 -8.556 2.535 -4.043 762 HG12 VAL 100 2HG1 VAL 100 -10.162 2.868 -3.391 763 HG13 VAL 100 3HG1 VAL 100 -9.450 3.955 -4.585 764 HG21 VAL 100 1HG2 VAL 100 -7.057 5.570 -2.346 765 HG22 VAL 100 2HG2 VAL 100 -6.662 4.278 -3.480 766 HG23 VAL 100 3HG2 VAL 100 -7.764 5.567 -3.962 767 H GLU 101 H GLU 101 -11.913 4.979 -3.148 768 HA GLU 101 HA GLU 101 -13.153 3.261 -1.117 769 HB2 GLU 101 1HB GLU 101 -14.103 5.565 -2.011 770 HB3 GLU 101 2HB GLU 101 -14.728 4.548 -3.302 771 HG2 GLU 101 1HG GLU 101 -15.558 3.096 -1.248 772 HG3 GLU 101 2HG GLU 101 -15.477 4.660 -0.439 773 H THR 102 H THR 102 -14.333 1.415 -1.702 774 HA THR 102 HA THR 102 -13.402 0.173 -4.179 775 HB THR 102 HB THR 102 -14.338 -1.930 -3.185 776 HG1 THR 102 1HG THR 102 -14.555 -1.480 -0.707 777 HG21 THR 102 1HG2 THR 102 -12.635 -1.847 -1.170 778 HG22 THR 102 2HG2 THR 102 -12.167 -0.323 -1.925 779 HG23 THR 102 3HG2 THR 102 -12.070 -1.827 -2.840 780 H GLY 103 H GLY 103 -15.099 -1.473 -5.097 781 HA2 GLY 103 1HA GLY 103 -17.261 0.097 -6.102 782 HA3 GLY 103 2HA GLY 103 -16.962 -1.600 -6.445 783 H LYS 104 H LYS 104 -19.130 0.473 -5.134 784 HA LYS 104 HA LYS 104 -19.990 -0.810 -2.788 785 HB2 LYS 104 1HB LYS 104 -21.192 1.101 -4.728 786 HB3 LYS 104 2HB LYS 104 -22.284 0.262 -3.634 787 HG2 LYS 104 1HG LYS 104 -20.488 1.070 -1.849 788 HG3 LYS 104 2HG LYS 104 -20.237 2.323 -3.067 789 HD2 LYS 104 1HD LYS 104 -21.905 3.310 -1.866 790 HD3 LYS 104 2HD LYS 104 -22.889 2.386 -3.003 791 HE2 LYS 104 1HE LYS 104 -23.499 0.834 -1.420 792 HE3 LYS 104 2HE LYS 104 -22.056 1.105 -0.444 793 HZ1 LYS 104 1HZ LYS 104 -23.264 3.484 -0.277 794 HZ2 LYS 104 2HZ LYS 104 -23.474 2.239 0.849 795 HZ3 LYS 104 3HZ LYS 104 -24.611 2.465 -0.384 796 HA PRO 105 HA PRO 105 -22.045 -4.445 -4.142 797 HB2 PRO 105 1HB PRO 105 -24.098 -4.590 -2.371 798 HB3 PRO 105 2HB PRO 105 -22.419 -4.919 -1.925 799 HG2 PRO 105 1HG PRO 105 -24.030 -2.427 -1.528 800 HG3 PRO 105 2HG PRO 105 -22.918 -3.232 -0.405 801 HD2 PRO 105 1HD PRO 105 -22.208 -1.053 -1.847 802 HD3 PRO 105 2HD PRO 105 -21.050 -2.325 -1.406 803 H SER 106 H SER 106 -23.413 -1.410 -4.485 804 HA SER 106 HA SER 106 -25.726 -2.512 -5.943 805 HB2 SER 106 1HB SER 106 -26.134 -1.015 -3.869 806 HB3 SER 106 2HB SER 106 -25.611 0.312 -4.906 807 HG SER 106 HG SER 106 -27.741 -1.486 -5.455 808 H GLY 107 H GLY 107 -25.694 -2.245 -8.072 809 HA2 GLY 107 1HA GLY 107 -25.423 -0.218 -9.697 810 HA3 GLY 107 2HA GLY 107 -23.740 -0.381 -9.218 811 HA PRO 108 HA PRO 108 -24.736 -3.093 -12.936 812 HB2 PRO 108 1HB PRO 108 -23.035 -1.878 -14.668 813 HB3 PRO 108 2HB PRO 108 -24.715 -1.371 -14.456 814 HG2 PRO 108 1HG PRO 108 -22.221 -0.197 -13.289 815 HG3 PRO 108 2HG PRO 108 -23.625 0.630 -13.988 816 HD2 PRO 108 1HD PRO 108 -23.266 0.373 -11.316 817 HD3 PRO 108 2HD PRO 108 -24.875 0.399 -12.065 818 H SER 109 H SER 109 -23.677 -4.958 -12.766 819 HA SER 109 HA SER 109 -20.750 -4.942 -12.741 820 HB2 SER 109 1HB SER 109 -21.406 -5.128 -10.390 821 HB3 SER 109 2HB SER 109 -22.455 -6.492 -10.776 822 HG SER 109 HG SER 109 -20.244 -6.947 -9.946 823 H SER 110 H SER 110 -20.039 -6.212 -14.308 824 HA SER 110 HA SER 110 -21.554 -7.742 -16.001 825 HB2 SER 110 1HB SER 110 -19.399 -8.943 -16.559 826 HB3 SER 110 2HB SER 110 -19.308 -7.183 -16.616 827 HG SER 110 HG SER 110 -18.483 -8.815 -14.443 828 H GLY 111 H GLY 111 -20.334 -8.594 -12.857 829 HA2 GLY 111 1HA GLY 111 -21.491 -11.294 -13.192 830 HA3 GLY 111 2HA GLY 111 -20.083 -10.971 -12.192 Start of MODEL 3 1 H1 GLY 1 H GLY 1 19.567 6.034 20.342 2 HA2 GLY 1 1HA GLY 1 18.351 6.616 22.359 3 HA3 GLY 1 2HA GLY 1 17.206 5.340 21.971 4 H SER 2 H SER 2 18.190 3.094 21.881 5 HA SER 2 HA SER 2 19.391 2.545 24.387 6 HB2 SER 2 1HB SER 2 19.498 0.193 23.543 7 HB3 SER 2 2HB SER 2 17.900 0.923 23.386 8 HG SER 2 HG SER 2 18.270 0.024 21.439 9 H SER 3 H SER 3 20.621 2.260 21.058 10 HA SER 3 HA SER 3 23.295 2.883 21.976 11 HB2 SER 3 1HB SER 3 23.232 0.461 22.312 12 HB3 SER 3 2HB SER 3 22.684 0.228 20.652 13 HG SER 3 HG SER 3 24.740 1.440 20.144 14 H GLY 4 H GLY 4 24.599 3.720 20.376 15 HA2 GLY 4 1HA GLY 4 23.580 5.107 18.291 16 HA3 GLY 4 2HA GLY 4 25.214 4.460 18.271 17 H SER 5 H SER 5 23.512 4.849 16.003 18 HA SER 5 HA SER 5 22.902 2.085 15.210 19 HB2 SER 5 1HB SER 5 21.820 4.747 14.402 20 HB3 SER 5 2HB SER 5 21.820 3.452 13.205 21 HG SER 5 HG SER 5 19.931 3.200 14.250 22 H SER 6 H SER 6 24.214 1.077 13.847 23 HA SER 6 HA SER 6 26.139 2.690 12.308 24 HB2 SER 6 1HB SER 6 27.622 0.754 12.347 25 HB3 SER 6 2HB SER 6 27.145 1.173 13.992 26 HG SER 6 HG SER 6 25.729 -0.758 12.500 27 H GLY 7 H GLY 7 26.982 1.304 10.337 28 HA2 GLY 7 1HA GLY 7 26.432 -0.109 8.508 29 HA3 GLY 7 2HA GLY 7 24.752 -0.075 9.023 30 H GLN 8 H GLN 8 23.543 0.867 7.527 31 HA GLN 8 HA GLN 8 24.552 3.336 6.278 32 HB2 GLN 8 1HB GLN 8 22.959 1.112 4.999 33 HB3 GLN 8 2HB GLN 8 23.238 2.677 4.247 34 HG2 GLN 8 1HG GLN 8 25.349 0.676 5.020 35 HG3 GLN 8 2HG GLN 8 24.773 1.012 3.388 36 HE21 GLN 8 1HE2 GLN 8 25.421 2.876 2.352 37 HE22 GLN 8 2HE2 GLN 8 26.707 3.870 2.935 38 H ALA 9 H ALA 9 22.662 4.586 5.233 39 HA ALA 9 HA ALA 9 20.744 5.094 7.322 40 HB1 ALA 9 1HB ALA 9 20.164 7.041 6.132 41 HB2 ALA 9 2HB ALA 9 21.905 6.856 5.915 42 HB3 ALA 9 3HB ALA 9 20.802 6.401 4.617 43 H ALA 10 H ALA 10 18.412 5.372 6.807 44 HA ALA 10 HA ALA 10 17.442 3.001 5.449 45 HB1 ALA 10 1HB ALA 10 16.301 4.982 7.343 46 HB2 ALA 10 2HB ALA 10 15.188 4.105 6.292 47 HB3 ALA 10 3HB ALA 10 16.255 3.219 7.381 48 HA PRO 11 HA PRO 11 16.083 4.853 1.711 49 HB2 PRO 11 1HB PRO 11 13.723 3.586 1.269 50 HB3 PRO 11 2HB PRO 11 15.290 2.787 1.093 51 HG2 PRO 11 1HG PRO 11 13.364 2.697 3.383 52 HG3 PRO 11 2HG PRO 11 14.287 1.375 2.644 53 HD2 PRO 11 1HD PRO 11 15.047 2.569 4.952 54 HD3 PRO 11 2HD PRO 11 16.215 1.913 3.787 55 H SER 12 H SER 12 14.870 6.532 0.932 56 HA SER 12 HA SER 12 13.570 8.231 2.732 57 HB2 SER 12 1HB SER 12 13.250 9.665 0.936 58 HB3 SER 12 2HB SER 12 14.578 8.670 0.342 59 HG SER 12 HG SER 12 13.210 8.499 -1.287 60 H GLN 13 H GLN 13 11.270 9.074 2.301 61 HA GLN 13 HA GLN 13 9.482 6.773 2.458 62 HB2 GLN 13 1HB GLN 13 9.382 8.436 4.256 63 HB3 GLN 13 2HB GLN 13 8.994 9.690 3.085 64 HG2 GLN 13 1HG GLN 13 6.909 8.534 2.542 65 HG3 GLN 13 2HG GLN 13 7.295 7.291 3.731 66 HE21 GLN 13 1HE2 GLN 13 5.556 10.016 3.221 67 HE22 GLN 13 2HE2 GLN 13 5.350 10.546 4.853 68 H VAL 14 H VAL 14 8.379 6.143 0.737 69 HA VAL 14 HA VAL 14 8.320 7.548 -1.700 70 HB VAL 14 HB VAL 14 6.625 5.253 -0.717 71 HG11 VAL 14 1HG1 VAL 14 6.607 6.735 -3.303 72 HG12 VAL 14 2HG1 VAL 14 6.327 4.993 -3.309 73 HG13 VAL 14 3HG1 VAL 14 5.265 6.055 -2.384 74 HG21 VAL 14 1HG2 VAL 14 9.243 5.519 -2.040 75 HG22 VAL 14 2HG2 VAL 14 8.627 4.246 -0.987 76 HG23 VAL 14 3HG2 VAL 14 8.180 4.272 -2.693 77 H VAL 15 H VAL 15 7.075 9.156 -2.389 78 HA VAL 15 HA VAL 15 4.564 9.702 -0.942 79 HB VAL 15 HB VAL 15 4.856 12.075 -1.508 80 HG11 VAL 15 1HG1 VAL 15 7.285 10.966 -0.107 81 HG12 VAL 15 2HG1 VAL 15 6.585 12.573 0.092 82 HG13 VAL 15 3HG1 VAL 15 5.695 11.149 0.633 83 HG21 VAL 15 1HG2 VAL 15 6.440 12.872 -2.883 84 HG22 VAL 15 2HG2 VAL 15 7.690 11.826 -2.209 85 HG23 VAL 15 3HG2 VAL 15 6.583 11.202 -3.431 86 H VAL 16 H VAL 16 5.357 8.198 -3.535 87 HA VAL 16 HA VAL 16 3.415 9.563 -5.285 88 HB VAL 16 HB VAL 16 5.765 7.846 -6.093 89 HG11 VAL 16 1HG1 VAL 16 4.706 7.455 -8.003 90 HG12 VAL 16 2HG1 VAL 16 3.315 8.390 -7.450 91 HG13 VAL 16 3HG1 VAL 16 4.635 9.192 -8.302 92 HG21 VAL 16 1HG2 VAL 16 6.305 10.157 -5.357 93 HG22 VAL 16 2HG2 VAL 16 6.688 9.850 -7.051 94 HG23 VAL 16 3HG2 VAL 16 5.243 10.768 -6.626 95 H ILE 17 H ILE 17 1.537 8.517 -5.090 96 HA ILE 17 HA ILE 17 1.509 5.635 -5.587 97 HB ILE 17 HB ILE 17 0.058 6.934 -3.278 98 HG12 ILE 17 1HG1 ILE 17 2.133 4.739 -3.222 99 HG13 ILE 17 2HG1 ILE 17 2.524 6.441 -2.997 100 HG21 ILE 17 1HG2 ILE 17 -1.096 5.061 -4.650 101 HG22 ILE 17 2HG2 ILE 17 0.065 4.001 -3.854 102 HG23 ILE 17 3HG2 ILE 17 -1.067 4.949 -2.891 103 HD11 ILE 17 1HD1 ILE 17 1.481 6.541 -0.946 104 HD12 ILE 17 2HD1 ILE 17 0.462 5.140 -1.278 105 HD13 ILE 17 3HD1 ILE 17 2.178 4.921 -0.938 106 H ARG 18 H ARG 18 -0.153 4.974 -6.841 107 HA ARG 18 HA ARG 18 -2.396 6.813 -7.286 108 HB2 ARG 18 1HB ARG 18 -0.932 5.415 -9.528 109 HB3 ARG 18 2HB ARG 18 -2.260 6.559 -9.679 110 HG2 ARG 18 1HG ARG 18 -0.904 8.371 -9.010 111 HG3 ARG 18 2HG ARG 18 0.383 7.297 -8.459 112 HD2 ARG 18 1HD ARG 18 1.177 8.052 -10.504 113 HD3 ARG 18 2HD ARG 18 0.452 6.498 -10.913 114 HE ARG 18 HE ARG 18 -1.357 8.704 -11.209 115 HH11 ARG 18 2HH1 ARG 18 1.175 6.872 -12.743 116 HH12 ARG 18 1HH1 ARG 18 0.674 7.279 -14.351 117 HH21 ARG 18 2HH2 ARG 18 -2.026 9.247 -13.321 118 HH22 ARG 18 1HH2 ARG 18 -1.146 8.631 -14.678 119 H GLN 19 H GLN 19 -4.094 5.654 -8.732 120 HA GLN 19 HA GLN 19 -4.362 2.890 -7.748 121 HB2 GLN 19 1HB GLN 19 -6.000 4.410 -6.749 122 HB3 GLN 19 2HB GLN 19 -6.532 4.906 -8.350 123 HG2 GLN 19 1HG GLN 19 -6.945 2.309 -8.618 124 HG3 GLN 19 2HG GLN 19 -7.064 2.399 -6.862 125 HE21 GLN 19 1HE2 GLN 19 -8.550 4.084 -6.017 126 HE22 GLN 19 2HE2 GLN 19 -10.024 4.359 -6.876 127 H GLU 20 H GLU 20 -3.759 1.623 -9.405 128 HA GLU 20 HA GLU 20 -4.113 2.263 -12.136 129 HB2 GLU 20 1HB GLU 20 -3.274 -0.143 -10.601 130 HB3 GLU 20 2HB GLU 20 -3.784 -0.382 -12.266 131 HG2 GLU 20 1HG GLU 20 -1.640 1.540 -11.396 132 HG3 GLU 20 2HG GLU 20 -1.346 -0.089 -12.003 133 H ARG 21 H ARG 21 -5.831 -0.027 -10.018 134 HA ARG 21 HA ARG 21 -8.254 0.380 -11.576 135 HB2 ARG 21 1HB ARG 21 -7.135 -2.389 -11.111 136 HB3 ARG 21 2HB ARG 21 -8.647 -1.996 -11.917 137 HG2 ARG 21 1HG ARG 21 -7.212 -0.695 -13.584 138 HG3 ARG 21 2HG ARG 21 -5.845 -1.562 -12.881 139 HD2 ARG 21 1HD ARG 21 -8.230 -3.127 -13.721 140 HD3 ARG 21 2HD ARG 21 -7.160 -2.500 -14.974 141 HE ARG 21 HE ARG 21 -6.587 -4.608 -13.085 142 HH11 ARG 21 2HH1 ARG 21 -5.284 -2.276 -15.317 143 HH12 ARG 21 1HH1 ARG 21 -3.795 -3.133 -15.547 144 HH21 ARG 21 2HH2 ARG 21 -4.631 -5.746 -13.378 145 HH22 ARG 21 1HH2 ARG 21 -3.426 -5.107 -14.444 146 H ALA 22 H ALA 22 -10.133 0.015 -10.430 147 HA ALA 22 HA ALA 22 -9.808 -0.831 -7.626 148 HB1 ALA 22 1HB ALA 22 -10.120 1.422 -7.314 149 HB2 ALA 22 2HB ALA 22 -11.151 1.588 -8.735 150 HB3 ALA 22 3HB ALA 22 -11.786 0.846 -7.267 151 H GLY 23 H GLY 23 -10.887 -2.661 -7.309 152 HA2 GLY 23 1HA GLY 23 -13.278 -3.199 -8.934 153 HA3 GLY 23 2HA GLY 23 -12.323 -4.408 -8.089 154 H GLN 24 H GLN 24 -14.441 -5.141 -7.324 155 HA GLN 24 HA GLN 24 -15.882 -3.465 -5.479 156 HB2 GLN 24 1HB GLN 24 -16.720 -5.450 -7.017 157 HB3 GLN 24 2HB GLN 24 -16.311 -6.415 -5.605 158 HG2 GLN 24 1HG GLN 24 -17.741 -4.658 -4.328 159 HG3 GLN 24 2HG GLN 24 -18.409 -4.322 -5.925 160 HE21 GLN 24 1HE2 GLN 24 -19.714 -5.818 -6.909 161 HE22 GLN 24 2HE2 GLN 24 -20.328 -7.214 -6.097 162 H THR 25 H THR 25 -14.021 -6.489 -5.183 163 HA THR 25 HA THR 25 -13.611 -5.843 -2.335 164 HB THR 25 HB THR 25 -13.335 -8.249 -1.919 165 HG1 THR 25 1HG THR 25 -13.188 -9.615 -3.533 166 HG21 THR 25 1HG2 THR 25 -15.890 -7.373 -3.252 167 HG22 THR 25 2HG2 THR 25 -15.528 -7.447 -1.527 168 HG23 THR 25 3HG2 THR 25 -15.721 -8.935 -2.453 169 H SER 26 H SER 26 -12.049 -5.277 -4.928 170 HA SER 26 HA SER 26 -9.447 -5.984 -3.802 171 HB2 SER 26 1HB SER 26 -8.593 -6.721 -5.991 172 HB3 SER 26 2HB SER 26 -9.920 -7.747 -5.448 173 HG SER 26 HG SER 26 -9.847 -5.868 -7.523 174 H VAL 27 H VAL 27 -7.692 -4.687 -4.642 175 HA VAL 27 HA VAL 27 -8.334 -2.400 -6.293 176 HB VAL 27 HB VAL 27 -7.568 -2.041 -3.395 177 HG11 VAL 27 1HG1 VAL 27 -7.865 0.462 -4.218 178 HG12 VAL 27 2HG1 VAL 27 -6.312 -0.372 -4.308 179 HG13 VAL 27 3HG1 VAL 27 -7.328 -0.241 -5.744 180 HG21 VAL 27 1HG2 VAL 27 -9.955 -2.394 -3.783 181 HG22 VAL 27 2HG2 VAL 27 -9.632 -0.740 -3.263 182 HG23 VAL 27 3HG2 VAL 27 -9.962 -1.082 -4.961 183 H SER 28 H SER 28 -6.545 -1.472 -7.228 184 HA SER 28 HA SER 28 -3.971 -2.765 -6.606 185 HB2 SER 28 1HB SER 28 -4.900 -3.266 -8.864 186 HB3 SER 28 2HB SER 28 -4.838 -1.544 -9.238 187 HG SER 28 HG SER 28 -2.474 -1.962 -8.464 188 H LEU 29 H LEU 29 -2.071 -1.502 -6.661 189 HA LEU 29 HA LEU 29 -2.492 1.409 -6.573 190 HB2 LEU 29 1HB LEU 29 -0.947 -0.311 -4.650 191 HB3 LEU 29 2HB LEU 29 -0.714 1.432 -4.771 192 HG LEU 29 HG LEU 29 -3.325 0.102 -4.053 193 HD11 LEU 29 1HD1 LEU 29 -1.243 1.382 -2.289 194 HD12 LEU 29 2HD1 LEU 29 -1.688 -0.324 -2.322 195 HD13 LEU 29 3HD1 LEU 29 -2.852 0.880 -1.769 196 HD21 LEU 29 1HD2 LEU 29 -3.981 2.153 -4.804 197 HD22 LEU 29 2HD2 LEU 29 -2.431 2.909 -4.437 198 HD23 LEU 29 3HD2 LEU 29 -3.576 2.571 -3.139 199 H LEU 30 H LEU 30 -0.623 2.690 -7.071 200 HA LEU 30 HA LEU 30 1.591 1.266 -8.356 201 HB2 LEU 30 1HB LEU 30 -0.349 2.124 -9.921 202 HB3 LEU 30 2HB LEU 30 0.477 3.668 -9.718 203 HG LEU 30 HG LEU 30 2.500 2.748 -10.688 204 HD11 LEU 30 1HD1 LEU 30 2.548 0.508 -10.022 205 HD12 LEU 30 2HD1 LEU 30 2.292 0.440 -11.765 206 HD13 LEU 30 3HD1 LEU 30 0.938 0.187 -10.665 207 HD21 LEU 30 1HD2 LEU 30 0.040 2.170 -12.335 208 HD22 LEU 30 2HD2 LEU 30 1.676 2.341 -12.970 209 HD23 LEU 30 3HD2 LEU 30 0.878 3.717 -12.206 210 H TRP 31 H TRP 31 3.374 1.948 -7.387 211 HA TRP 31 HA TRP 31 3.681 4.825 -6.868 212 HB2 TRP 31 1HB TRP 31 4.696 4.401 -4.717 213 HB3 TRP 31 2HB TRP 31 3.113 3.630 -4.756 214 HD1 TRP 31 HD TRP 31 6.835 2.823 -4.591 215 HE1 TRP 31 1HE TRP 31 7.120 0.336 -3.994 216 HE3 TRP 31 3HE TRP 31 1.959 1.333 -4.968 217 HZ2 TRP 31 2HZ TRP 31 5.494 -1.955 -3.720 218 HZ3 TRP 31 3HZ TRP 31 1.408 -1.023 -4.523 219 HH2 TRP 31 HH TRP 31 3.140 -2.632 -3.913 220 H GLN 32 H GLN 32 5.722 5.655 -7.181 221 HA GLN 32 HA GLN 32 7.540 3.942 -8.679 222 HB2 GLN 32 1HB GLN 32 8.557 5.925 -9.478 223 HB3 GLN 32 2HB GLN 32 6.828 6.245 -9.468 224 HG2 GLN 32 1HG GLN 32 6.971 7.699 -7.681 225 HG3 GLN 32 2HG GLN 32 8.504 7.028 -7.127 226 HE21 GLN 32 1HE2 GLN 32 6.956 9.286 -9.209 227 HE22 GLN 32 2HE2 GLN 32 8.385 10.059 -9.794 228 H GLU 33 H GLU 33 9.861 4.018 -8.265 229 HA GLU 33 HA GLU 33 10.528 3.335 -5.657 230 HB2 GLU 33 1HB GLU 33 12.068 4.018 -8.107 231 HB3 GLU 33 2HB GLU 33 12.942 4.017 -6.582 232 HG2 GLU 33 1HG GLU 33 13.269 1.861 -7.183 233 HG3 GLU 33 2HG GLU 33 11.746 1.676 -6.314 234 HA PRO 34 HA PRO 34 11.037 7.115 -3.479 235 HB2 PRO 34 1HB PRO 34 12.940 6.389 -1.685 236 HB3 PRO 34 2HB PRO 34 11.264 5.836 -1.584 237 HG2 PRO 34 1HG PRO 34 13.665 4.417 -2.672 238 HG3 PRO 34 2HG PRO 34 12.364 3.788 -1.645 239 HD2 PRO 34 1HD PRO 34 12.446 3.359 -4.317 240 HD3 PRO 34 2HD PRO 34 10.922 3.516 -3.421 241 H GLU 35 H GLU 35 12.217 8.953 -3.624 242 HA GLU 35 HA GLU 35 14.050 9.482 -5.507 243 HB2 GLU 35 1HB GLU 35 14.116 10.670 -2.727 244 HB3 GLU 35 2HB GLU 35 14.831 11.382 -4.166 245 HG2 GLU 35 1HG GLU 35 12.497 11.382 -5.151 246 HG3 GLU 35 2HG GLU 35 11.924 11.013 -3.525 247 H GLN 36 H GLN 36 14.947 8.604 -2.169 248 HA GLN 36 HA GLN 36 17.488 7.565 -3.229 249 HB2 GLN 36 1HB GLN 36 17.059 9.187 -0.718 250 HB3 GLN 36 2HB GLN 36 18.539 8.302 -1.064 251 HG2 GLN 36 1HG GLN 36 18.813 9.641 -3.121 252 HG3 GLN 36 2HG GLN 36 17.388 10.574 -2.666 253 HE21 GLN 36 1HE2 GLN 36 18.243 12.521 -2.267 254 HE22 GLN 36 2HE2 GLN 36 19.464 12.840 -1.088 255 HA PRO 37 HA PRO 37 15.613 4.021 -1.140 256 HB2 PRO 37 1HB PRO 37 17.180 2.189 -2.387 257 HB3 PRO 37 2HB PRO 37 15.746 2.897 -3.139 258 HG2 PRO 37 1HG PRO 37 18.628 3.619 -3.504 259 HG3 PRO 37 2HG PRO 37 17.352 3.455 -4.725 260 HD2 PRO 37 1HD PRO 37 18.158 5.859 -3.775 261 HD3 PRO 37 2HD PRO 37 16.487 5.545 -4.284 262 H ASN 38 H ASN 38 18.978 4.956 -1.414 263 HA ASN 38 HA ASN 38 20.790 4.645 -0.072 264 HB2 ASN 38 1HB ASN 38 18.485 4.652 1.833 265 HB3 ASN 38 2HB ASN 38 20.086 4.246 2.444 266 HD21 ASN 38 1HD2 ASN 38 18.886 6.406 3.454 267 HD22 ASN 38 2HD2 ASN 38 19.626 7.856 2.873 268 H GLY 39 H GLY 39 20.059 2.387 -1.503 269 HA2 GLY 39 1HA GLY 39 21.513 0.351 -0.938 270 HA3 GLY 39 2HA GLY 39 20.405 0.178 0.416 271 H ILE 40 H ILE 40 20.249 -1.993 -0.731 272 HA ILE 40 HA ILE 40 18.584 -1.999 -3.106 273 HB ILE 40 HB ILE 40 19.604 -4.303 -1.441 274 HG12 ILE 40 1HG1 ILE 40 20.998 -4.573 -3.645 275 HG13 ILE 40 2HG1 ILE 40 20.648 -2.860 -3.853 276 HG21 ILE 40 1HG2 ILE 40 17.476 -4.382 -3.107 277 HG22 ILE 40 2HG2 ILE 40 18.786 -4.743 -4.230 278 HG23 ILE 40 3HG2 ILE 40 18.546 -5.750 -2.802 279 HD11 ILE 40 1HD1 ILE 40 21.930 -2.246 -2.055 280 HD12 ILE 40 2HD1 ILE 40 21.775 -3.817 -1.269 281 HD13 ILE 40 3HD1 ILE 40 22.831 -3.632 -2.669 282 H ILE 41 H ILE 41 16.438 -2.179 -3.130 283 HA ILE 41 HA ILE 41 15.019 -2.407 -0.607 284 HB ILE 41 HB ILE 41 14.092 -1.793 -3.408 285 HG12 ILE 41 1HG1 ILE 41 13.804 -0.048 -0.981 286 HG13 ILE 41 2HG1 ILE 41 15.329 -0.102 -1.858 287 HG21 ILE 41 1HG2 ILE 41 12.104 -2.613 -2.800 288 HG22 ILE 41 2HG2 ILE 41 12.571 -2.725 -1.104 289 HG23 ILE 41 3HG2 ILE 41 11.983 -1.196 -1.757 290 HD11 ILE 41 1HD1 ILE 41 13.117 1.492 -2.404 291 HD12 ILE 41 2HD1 ILE 41 14.552 1.273 -3.406 292 HD13 ILE 41 3HD1 ILE 41 13.129 0.265 -3.671 293 H LEU 42 H LEU 42 14.373 -4.301 0.151 294 HA LEU 42 HA LEU 42 14.392 -6.672 -1.446 295 HB2 LEU 42 1HB LEU 42 13.260 -6.268 1.318 296 HB3 LEU 42 2HB LEU 42 13.664 -7.808 0.562 297 HG LEU 42 HG LEU 42 15.826 -5.791 0.932 298 HD11 LEU 42 1HD1 LEU 42 16.231 -6.457 3.188 299 HD12 LEU 42 2HD1 LEU 42 14.907 -7.622 3.140 300 HD13 LEU 42 3HD1 LEU 42 14.563 -5.893 3.082 301 HD21 LEU 42 1HD2 LEU 42 15.561 -8.761 0.733 302 HD22 LEU 42 2HD2 LEU 42 16.979 -8.052 1.506 303 HD23 LEU 42 3HD2 LEU 42 16.602 -7.664 -0.174 304 H GLU 43 H GLU 43 11.767 -5.050 0.352 305 HA GLU 43 HA GLU 43 9.927 -5.543 -1.827 306 HB2 GLU 43 1HB GLU 43 8.304 -6.770 -0.465 307 HB3 GLU 43 2HB GLU 43 9.815 -7.658 -0.604 308 HG2 GLU 43 1HG GLU 43 10.465 -6.812 1.629 309 HG3 GLU 43 2HG GLU 43 8.877 -6.058 1.765 310 H TYR 44 H TYR 44 7.657 -4.739 -1.158 311 HA TYR 44 HA TYR 44 7.978 -2.338 0.523 312 HB2 TYR 44 1HB TYR 44 6.591 -2.711 -2.116 313 HB3 TYR 44 2HB TYR 44 6.099 -1.424 -1.021 314 HD1 TYR 44 1HD TYR 44 8.897 -2.722 -3.051 315 HD2 TYR 44 2HD TYR 44 7.412 0.546 -0.768 316 HE1 TYR 44 1HE TYR 44 10.705 -1.300 -3.923 317 HE2 TYR 44 2HE TYR 44 9.215 1.978 -1.635 318 HH TYR 44 HH TYR 44 10.973 1.332 -4.265 319 H GLU 45 H GLU 45 6.842 -2.508 2.330 320 HA GLU 45 HA GLU 45 4.604 -4.325 2.527 321 HB2 GLU 45 1HB GLU 45 6.271 -2.760 4.409 322 HB3 GLU 45 2HB GLU 45 4.614 -3.064 4.913 323 HG2 GLU 45 1HG GLU 45 5.582 -4.907 5.789 324 HG3 GLU 45 2HG GLU 45 5.243 -5.531 4.176 325 H ILE 46 H ILE 46 2.524 -3.815 2.330 326 HA ILE 46 HA ILE 46 1.791 -0.960 2.304 327 HB ILE 46 HB ILE 46 0.388 -3.211 0.860 328 HG12 ILE 46 1HG1 ILE 46 1.834 -1.021 -0.561 329 HG13 ILE 46 2HG1 ILE 46 2.786 -2.334 0.123 330 HG21 ILE 46 1HG2 ILE 46 -1.038 -1.613 -0.060 331 HG22 ILE 46 2HG2 ILE 46 -0.901 -1.128 1.629 332 HG23 ILE 46 3HG2 ILE 46 0.018 -0.274 0.389 333 HD11 ILE 46 1HD1 ILE 46 0.437 -3.026 -1.554 334 HD12 ILE 46 2HD1 ILE 46 1.893 -2.420 -2.343 335 HD13 ILE 46 3HD1 ILE 46 1.970 -3.871 -1.345 336 H LYS 47 H LYS 47 0.403 -0.286 3.797 337 HA LYS 47 HA LYS 47 -1.044 -2.305 5.369 338 HB2 LYS 47 1HB LYS 47 0.319 -1.054 6.821 339 HB3 LYS 47 2HB LYS 47 -0.052 0.460 6.008 340 HG2 LYS 47 1HG LYS 47 -2.393 0.249 6.845 341 HG3 LYS 47 2HG LYS 47 -1.867 -1.144 7.792 342 HD2 LYS 47 1HD LYS 47 -0.191 0.301 8.905 343 HD3 LYS 47 2HD LYS 47 -0.834 1.683 8.015 344 HE2 LYS 47 1HE LYS 47 -3.110 0.834 9.062 345 HE3 LYS 47 2HE LYS 47 -2.023 0.140 10.264 346 HZ1 LYS 47 1HZ LYS 47 -2.958 2.566 10.501 347 HZ2 LYS 47 2HZ LYS 47 -1.634 2.942 9.517 348 HZ3 LYS 47 3HZ LYS 47 -1.390 2.178 11.007 349 H TYR 48 H TYR 48 -3.177 -2.456 5.173 350 HA TYR 48 HA TYR 48 -4.687 -0.111 4.244 351 HB2 TYR 48 1HB TYR 48 -6.127 -1.710 2.922 352 HB3 TYR 48 2HB TYR 48 -4.499 -1.474 2.295 353 HD1 TYR 48 1HD TYR 48 -2.724 -3.233 3.069 354 HD2 TYR 48 2HD TYR 48 -6.929 -3.865 3.213 355 HE1 TYR 48 1HE TYR 48 -2.351 -5.663 3.115 356 HE2 TYR 48 2HE TYR 48 -6.568 -6.298 3.261 357 HH TYR 48 HH TYR 48 -3.317 -7.677 2.992 358 H TYR 49 H TYR 49 -6.421 0.343 5.440 359 HA TYR 49 HA TYR 49 -7.738 -1.770 6.965 360 HB2 TYR 49 1HB TYR 49 -7.612 -0.608 9.056 361 HB3 TYR 49 2HB TYR 49 -5.974 -0.730 8.424 362 HD1 TYR 49 1HD TYR 49 -8.825 1.570 8.920 363 HD2 TYR 49 2HD TYR 49 -4.704 1.215 7.924 364 HE1 TYR 49 1HE TYR 49 -8.569 4.007 9.135 365 HE2 TYR 49 2HE TYR 49 -4.436 3.650 8.137 366 HH TYR 49 HH TYR 49 -5.894 5.681 7.990 367 H GLU 50 H GLU 50 -9.795 -0.999 7.949 368 HA GLU 50 HA GLU 50 -11.417 0.248 6.045 369 HB2 GLU 50 1HB GLU 50 -11.744 -0.585 8.881 370 HB3 GLU 50 2HB GLU 50 -12.928 0.540 8.230 371 HG2 GLU 50 1HG GLU 50 -13.802 -0.990 6.787 372 HG3 GLU 50 2HG GLU 50 -12.289 -1.882 6.641 373 H LYS 51 H LYS 51 -11.176 2.287 5.403 374 HA LYS 51 HA LYS 51 -9.950 4.374 6.678 375 HB2 LYS 51 1HB LYS 51 -10.507 4.654 4.398 376 HB3 LYS 51 2HB LYS 51 -12.213 4.345 4.693 377 HG2 LYS 51 1HG LYS 51 -12.095 6.641 4.334 378 HG3 LYS 51 2HG LYS 51 -12.175 6.483 6.091 379 HD2 LYS 51 1HD LYS 51 -9.833 6.871 6.308 380 HD3 LYS 51 2HD LYS 51 -9.591 6.751 4.564 381 HE2 LYS 51 1HE LYS 51 -9.575 9.035 4.890 382 HE3 LYS 51 2HE LYS 51 -11.261 8.742 4.465 383 HZ1 LYS 51 1HZ LYS 51 -10.260 8.929 7.253 384 HZ2 LYS 51 2HZ LYS 51 -11.874 8.840 6.756 385 HZ3 LYS 51 3HZ LYS 51 -10.957 10.219 6.408 386 H ASP 52 H ASP 52 -13.463 3.754 6.666 387 HA ASP 52 HA ASP 52 -14.049 5.796 8.548 388 HB2 ASP 52 1HB ASP 52 -15.794 5.070 7.076 389 HB3 ASP 52 2HB ASP 52 -15.624 3.398 7.604 390 H LYS 53 H LYS 53 -13.550 2.306 8.822 391 HA LYS 53 HA LYS 53 -13.742 2.522 11.743 392 HB2 LYS 53 1HB LYS 53 -13.603 0.027 10.042 393 HB3 LYS 53 2HB LYS 53 -13.944 0.104 11.766 394 HG2 LYS 53 1HG LYS 53 -15.688 1.387 9.680 395 HG3 LYS 53 2HG LYS 53 -15.932 -0.254 10.282 396 HD2 LYS 53 1HD LYS 53 -15.687 1.975 12.245 397 HD3 LYS 53 2HD LYS 53 -17.199 1.790 11.353 398 HE2 LYS 53 1HE LYS 53 -17.244 -0.598 12.100 399 HE3 LYS 53 2HE LYS 53 -15.857 -0.244 13.128 400 HZ1 LYS 53 1HZ LYS 53 -18.309 1.378 13.331 401 HZ2 LYS 53 2HZ LYS 53 -17.106 1.116 14.491 402 HZ3 LYS 53 3HZ LYS 53 -18.208 -0.114 14.122 403 H GLU 54 H GLU 54 -11.815 3.171 12.520 404 HA GLU 54 HA GLU 54 -9.383 1.878 11.502 405 HB2 GLU 54 1HB GLU 54 -9.723 4.466 11.726 406 HB3 GLU 54 2HB GLU 54 -9.360 4.178 13.422 407 HG2 GLU 54 1HG GLU 54 -7.559 3.250 11.208 408 HG3 GLU 54 2HG GLU 54 -7.429 4.850 11.936 409 H MET 55 H MET 55 -8.818 0.116 12.592 410 HA MET 55 HA MET 55 -9.117 0.131 15.524 411 HB2 MET 55 1HB MET 55 -9.578 -2.174 15.514 412 HB3 MET 55 2HB MET 55 -10.524 -1.528 14.179 413 HG2 MET 55 1HG MET 55 -7.804 -2.727 13.781 414 HG3 MET 55 2HG MET 55 -9.276 -3.695 13.777 415 HE1 MET 55 1HE MET 55 -7.171 -2.138 10.514 416 HE2 MET 55 2HE MET 55 -7.599 -0.587 11.236 417 HE3 MET 55 3HE MET 55 -6.826 -1.833 12.217 418 H GLN 56 H GLN 56 -7.532 -1.344 16.640 419 HA GLN 56 HA GLN 56 -4.902 -0.549 16.024 420 HB2 GLN 56 1HB GLN 56 -5.919 -1.299 18.282 421 HB3 GLN 56 2HB GLN 56 -5.540 -2.930 17.743 422 HG2 GLN 56 1HG GLN 56 -3.651 -2.466 18.908 423 HG3 GLN 56 2HG GLN 56 -3.167 -1.871 17.321 424 HE21 GLN 56 1HE2 GLN 56 -2.589 0.196 17.113 425 HE22 GLN 56 2HE2 GLN 56 -2.714 1.392 18.353 426 H SER 57 H SER 57 -6.659 -3.563 15.464 427 HA SER 57 HA SER 57 -4.383 -4.919 14.362 428 HB2 SER 57 1HB SER 57 -6.044 -6.666 13.737 429 HB3 SER 57 2HB SER 57 -6.133 -6.216 15.440 430 HG SER 57 HG SER 57 -7.940 -5.742 13.370 431 H TYR 58 H TYR 58 -3.537 -4.278 12.493 432 HA TYR 58 HA TYR 58 -5.374 -3.580 10.296 433 HB2 TYR 58 1HB TYR 58 -3.663 -2.095 9.420 434 HB3 TYR 58 2HB TYR 58 -4.016 -1.666 11.090 435 HD1 TYR 58 2HD TYR 58 -2.389 -2.175 12.871 436 HD2 TYR 58 1HD TYR 58 -1.502 -2.914 8.776 437 HE1 TYR 58 2HE TYR 58 0.000 -2.356 13.428 438 HE2 TYR 58 1HE TYR 58 0.889 -3.098 9.321 439 HH TYR 58 HH TYR 58 2.136 -2.238 12.434 440 H SER 59 H SER 59 -4.747 -4.204 8.165 441 HA SER 59 HA SER 59 -3.218 -6.697 8.152 442 HB2 SER 59 1HB SER 59 -5.623 -6.268 7.113 443 HB3 SER 59 2HB SER 59 -4.672 -5.713 5.736 444 HG SER 59 HG SER 59 -4.939 -8.268 6.808 445 H THR 60 H THR 60 -1.607 -7.120 6.582 446 HA THR 60 HA THR 60 -0.474 -4.742 5.270 447 HB THR 60 HB THR 60 1.220 -6.855 6.603 448 HG1 THR 60 1HG THR 60 1.039 -4.275 7.661 449 HG21 THR 60 1HG2 THR 60 3.051 -5.545 6.075 450 HG22 THR 60 2HG2 THR 60 2.086 -4.077 5.916 451 HG23 THR 60 3HG2 THR 60 2.030 -5.310 4.657 452 H LEU 61 H LEU 61 0.663 -5.117 3.346 453 HA LEU 61 HA LEU 61 0.485 -7.843 2.256 454 HB2 LEU 61 1HB LEU 61 -1.356 -6.550 1.351 455 HB3 LEU 61 2HB LEU 61 -0.243 -5.279 0.847 456 HG LEU 61 HG LEU 61 0.826 -7.079 -0.641 457 HD11 LEU 61 1HD1 LEU 61 -1.252 -8.649 -1.300 458 HD12 LEU 61 2HD1 LEU 61 -1.524 -8.498 0.436 459 HD13 LEU 61 3HD1 LEU 61 0.010 -9.127 -0.164 460 HD21 LEU 61 1HD2 LEU 61 -1.660 -5.549 -0.994 461 HD22 LEU 61 2HD2 LEU 61 -1.398 -6.842 -2.166 462 HD23 LEU 61 3HD2 LEU 61 -0.189 -5.572 -1.967 463 H LYS 62 H LYS 62 2.333 -8.563 1.426 464 HA LYS 62 HA LYS 62 4.567 -6.710 1.159 465 HB2 LYS 62 1HB LYS 62 4.355 -9.713 1.228 466 HB3 LYS 62 2HB LYS 62 5.849 -8.900 0.778 467 HG2 LYS 62 1HG LYS 62 5.964 -9.478 3.090 468 HG3 LYS 62 2HG LYS 62 5.803 -7.725 2.964 469 HD2 LYS 62 1HD LYS 62 3.689 -7.720 3.836 470 HD3 LYS 62 2HD LYS 62 3.319 -9.336 3.229 471 HE2 LYS 62 1HE LYS 62 5.174 -10.043 4.958 472 HE3 LYS 62 2HE LYS 62 4.740 -8.512 5.716 473 HZ1 LYS 62 1HZ LYS 62 2.395 -9.300 5.677 474 HZ2 LYS 62 2HZ LYS 62 3.411 -10.204 6.682 475 HZ3 LYS 62 3HZ LYS 62 2.953 -10.816 5.173 476 H ALA 63 H ALA 63 5.539 -6.183 -0.724 477 HA ALA 63 HA ALA 63 4.719 -7.581 -3.171 478 HB1 ALA 63 1HB ALA 63 4.371 -5.493 -4.349 479 HB2 ALA 63 2HB ALA 63 3.309 -5.578 -2.943 480 HB3 ALA 63 3HB ALA 63 4.762 -4.579 -2.892 481 H VAL 64 H VAL 64 6.374 -8.043 -4.476 482 HA VAL 64 HA VAL 64 9.029 -7.147 -3.745 483 HB VAL 64 HB VAL 64 9.824 -8.709 -5.460 484 HG11 VAL 64 1HG1 VAL 64 7.808 -10.383 -4.126 485 HG12 VAL 64 2HG1 VAL 64 9.569 -10.490 -4.107 486 HG13 VAL 64 3HG1 VAL 64 8.743 -9.336 -3.059 487 HG21 VAL 64 1HG2 VAL 64 6.889 -9.022 -6.047 488 HG22 VAL 64 2HG2 VAL 64 8.175 -8.540 -7.154 489 HG23 VAL 64 3HG2 VAL 64 8.102 -10.197 -6.555 490 H THR 65 H THR 65 6.643 -6.470 -6.165 491 HA THR 65 HA THR 65 8.578 -4.844 -7.671 492 HB THR 65 HB THR 65 7.562 -6.245 -9.231 493 HG1 THR 65 1HG THR 65 5.826 -4.756 -10.185 494 HG21 THR 65 1HG2 THR 65 5.059 -6.569 -9.302 495 HG22 THR 65 2HG2 THR 65 4.992 -5.782 -7.725 496 HG23 THR 65 3HG2 THR 65 5.877 -7.295 -7.919 497 H THR 66 H THR 66 7.509 -2.845 -8.698 498 HA THR 66 HA THR 66 6.583 -1.183 -6.563 499 HB THR 66 HB THR 66 6.420 0.581 -8.351 500 HG1 THR 66 1HG THR 66 6.698 -1.637 -9.918 501 HG21 THR 66 1HG2 THR 66 8.724 0.942 -8.420 502 HG22 THR 66 2HG2 THR 66 9.088 -0.782 -8.512 503 HG23 THR 66 3HG2 THR 66 8.522 -0.080 -6.997 504 H ARG 67 H ARG 67 4.947 -3.430 -8.172 505 HA ARG 67 HA ARG 67 2.438 -1.894 -8.087 506 HB2 ARG 67 1HB ARG 67 2.855 -4.166 -10.009 507 HB3 ARG 67 2HB ARG 67 1.632 -2.903 -10.047 508 HG2 ARG 67 1HG ARG 67 3.136 -1.306 -10.847 509 HG3 ARG 67 2HG ARG 67 4.541 -2.271 -10.386 510 HD2 ARG 67 1HD ARG 67 3.812 -3.971 -12.076 511 HD3 ARG 67 2HD ARG 67 2.586 -2.822 -12.611 512 HE ARG 67 HE ARG 67 4.890 -1.401 -12.753 513 HH11 ARG 67 2HH1 ARG 67 3.878 -4.485 -14.012 514 HH12 ARG 67 1HH1 ARG 67 4.893 -4.393 -15.414 515 HH21 ARG 67 2HH2 ARG 67 6.230 -1.268 -14.594 516 HH22 ARG 67 1HH2 ARG 67 6.231 -2.562 -15.743 517 H ALA 68 H ALA 68 0.770 -2.824 -7.026 518 HA ALA 68 HA ALA 68 0.806 -5.662 -6.411 519 HB1 ALA 68 1HB ALA 68 1.869 -5.292 -4.463 520 HB2 ALA 68 2HB ALA 68 1.458 -3.577 -4.441 521 HB3 ALA 68 3HB ALA 68 0.274 -4.774 -3.916 522 H THR 69 H THR 69 -1.201 -6.348 -5.293 523 HA THR 69 HA THR 69 -3.443 -4.490 -5.667 524 HB THR 69 HB THR 69 -3.398 -7.336 -6.692 525 HG1 THR 69 1HG THR 69 -3.779 -4.959 -8.197 526 HG21 THR 69 1HG2 THR 69 -5.599 -7.031 -6.014 527 HG22 THR 69 2HG2 THR 69 -5.645 -6.491 -7.692 528 HG23 THR 69 3HG2 THR 69 -5.581 -5.308 -6.386 529 H VAL 70 H VAL 70 -4.512 -4.343 -3.817 530 HA VAL 70 HA VAL 70 -4.267 -6.413 -1.800 531 HB VAL 70 HB VAL 70 -5.825 -3.828 -1.662 532 HG11 VAL 70 1HG1 VAL 70 -6.280 -5.783 -0.037 533 HG12 VAL 70 2HG1 VAL 70 -4.715 -5.359 0.661 534 HG13 VAL 70 3HG1 VAL 70 -6.018 -4.171 0.627 535 HG21 VAL 70 1HG2 VAL 70 -3.447 -3.754 -0.113 536 HG22 VAL 70 2HG2 VAL 70 -3.016 -4.239 -1.753 537 HG23 VAL 70 3HG2 VAL 70 -3.899 -2.737 -1.481 538 H SER 71 H SER 71 -5.534 -8.143 -2.051 539 HA SER 71 HA SER 71 -8.324 -7.737 -2.892 540 HB2 SER 71 1HB SER 71 -6.482 -10.118 -3.084 541 HB3 SER 71 2HB SER 71 -8.227 -10.268 -3.296 542 HG SER 71 HG SER 71 -8.125 -9.111 -5.121 543 H GLY 72 H GLY 72 -9.981 -9.023 -1.843 544 HA2 GLY 72 1HA GLY 72 -10.866 -10.255 -0.049 545 HA3 GLY 72 2HA GLY 72 -9.308 -10.157 0.758 546 H LEU 73 H LEU 73 -11.290 -7.535 -0.566 547 HA LEU 73 HA LEU 73 -11.420 -6.400 2.150 548 HB2 LEU 73 1HB LEU 73 -11.576 -4.907 -0.461 549 HB3 LEU 73 2HB LEU 73 -11.476 -4.213 1.156 550 HG LEU 73 HG LEU 73 -9.270 -5.891 -0.012 551 HD11 LEU 73 1HD1 LEU 73 -9.654 -4.021 -1.523 552 HD12 LEU 73 2HD1 LEU 73 -8.153 -3.804 -0.623 553 HD13 LEU 73 3HD1 LEU 73 -9.593 -2.897 -0.165 554 HD21 LEU 73 1HD2 LEU 73 -9.766 -4.639 2.510 555 HD22 LEU 73 2HD2 LEU 73 -8.367 -3.884 1.746 556 HD23 LEU 73 3HD2 LEU 73 -8.395 -5.629 2.009 557 H LYS 74 H LYS 74 -13.311 -4.772 2.330 558 HA LYS 74 HA LYS 74 -15.726 -6.199 1.501 559 HB2 LYS 74 1HB LYS 74 -15.124 -4.199 3.660 560 HB3 LYS 74 2HB LYS 74 -16.783 -4.515 3.167 561 HG2 LYS 74 1HG LYS 74 -16.803 -6.606 4.066 562 HG3 LYS 74 2HG LYS 74 -15.069 -6.843 3.835 563 HD2 LYS 74 1HD LYS 74 -15.426 -6.647 6.174 564 HD3 LYS 74 2HD LYS 74 -14.708 -5.124 5.642 565 HE2 LYS 74 1HE LYS 74 -16.659 -3.946 5.940 566 HE3 LYS 74 2HE LYS 74 -17.677 -5.368 5.720 567 HZ1 LYS 74 1HZ LYS 74 -17.643 -4.580 8.024 568 HZ2 LYS 74 2HZ LYS 74 -15.975 -4.853 8.098 569 HZ3 LYS 74 3HZ LYS 74 -17.036 -6.153 7.889 570 HA PRO 75 HA PRO 75 -16.745 -3.183 -1.546 571 HB2 PRO 75 1HB PRO 75 -19.414 -3.649 -1.708 572 HB3 PRO 75 2HB PRO 75 -18.205 -4.747 -2.383 573 HG2 PRO 75 1HG PRO 75 -19.696 -4.932 0.206 574 HG3 PRO 75 2HG PRO 75 -19.336 -6.208 -0.972 575 HD2 PRO 75 1HD PRO 75 -17.910 -5.885 1.307 576 HD3 PRO 75 2HD PRO 75 -17.185 -6.493 -0.195 577 H GLY 76 H GLY 76 -17.988 -1.235 -1.855 578 HA2 GLY 76 1HA GLY 76 -18.603 0.846 -1.071 579 HA3 GLY 76 2HA GLY 76 -19.839 -0.075 -0.226 580 H THR 77 H THR 77 -16.315 0.208 0.201 581 HA THR 77 HA THR 77 -16.695 1.494 2.777 582 HB THR 77 HB THR 77 -15.232 -1.146 2.607 583 HG1 THR 77 1HG THR 77 -17.593 -1.258 2.536 584 HG21 THR 77 1HG2 THR 77 -14.608 0.793 4.292 585 HG22 THR 77 2HG2 THR 77 -14.650 -0.892 4.811 586 HG23 THR 77 3HG2 THR 77 -16.011 0.173 5.160 587 H ARG 78 H ARG 78 -15.277 3.100 2.821 588 HA ARG 78 HA ARG 78 -13.100 3.315 1.035 589 HB2 ARG 78 1HB ARG 78 -14.156 4.885 3.321 590 HB3 ARG 78 2HB ARG 78 -12.475 5.158 2.884 591 HG2 ARG 78 1HG ARG 78 -13.398 5.435 0.482 592 HG3 ARG 78 2HG ARG 78 -14.947 5.676 1.293 593 HD2 ARG 78 1HD ARG 78 -13.814 7.437 2.690 594 HD3 ARG 78 2HD ARG 78 -12.423 7.285 1.618 595 HE ARG 78 HE ARG 78 -14.934 8.576 1.039 596 HH11 ARG 78 2HH1 ARG 78 -12.070 7.107 -0.288 597 HH12 ARG 78 1HH1 ARG 78 -12.186 7.941 -1.801 598 HH21 ARG 78 2HH2 ARG 78 -15.097 9.681 -0.949 599 HH22 ARG 78 1HH2 ARG 78 -13.907 9.406 -2.177 600 H TYR 79 H TYR 79 -10.938 2.970 1.283 601 HA TYR 79 HA TYR 79 -10.028 1.846 3.845 602 HB2 TYR 79 1HB TYR 79 -9.770 0.701 1.094 603 HB3 TYR 79 2HB TYR 79 -8.488 0.410 2.264 604 HD1 TYR 79 2HD TYR 79 -8.955 -0.873 4.320 605 HD2 TYR 79 1HD TYR 79 -11.903 -0.375 1.293 606 HE1 TYR 79 2HE TYR 79 -10.252 -2.725 5.287 607 HE2 TYR 79 1HE TYR 79 -13.209 -2.225 2.253 608 HH TYR 79 HH TYR 79 -13.454 -3.351 4.464 609 H VAL 80 H VAL 80 -8.007 2.430 4.508 610 HA VAL 80 HA VAL 80 -6.708 4.541 2.943 611 HB VAL 80 HB VAL 80 -6.271 3.758 5.829 612 HG11 VAL 80 1HG1 VAL 80 -5.379 6.288 4.476 613 HG12 VAL 80 2HG1 VAL 80 -4.884 5.645 6.043 614 HG13 VAL 80 3HG1 VAL 80 -4.358 4.853 4.557 615 HG21 VAL 80 1HG2 VAL 80 -7.681 6.202 4.779 616 HG22 VAL 80 2HG2 VAL 80 -8.528 4.727 5.245 617 HG23 VAL 80 3HG2 VAL 80 -7.598 5.625 6.444 618 H PHE 81 H PHE 81 -5.144 3.857 1.638 619 HA PHE 81 HA PHE 81 -3.538 1.533 2.392 620 HB2 PHE 81 1HB PHE 81 -3.830 3.044 -0.207 621 HB3 PHE 81 2HB PHE 81 -2.670 1.740 0.028 622 HD1 PHE 81 1HD PHE 81 -3.503 -0.557 0.539 623 HD2 PHE 81 2HD PHE 81 -6.096 2.600 -0.655 624 HE1 PHE 81 1HE PHE 81 -5.234 -2.205 -0.047 625 HE2 PHE 81 2HE PHE 81 -7.831 0.957 -1.242 626 HZ PHE 81 HZ PHE 81 -7.402 -1.449 -0.938 627 H GLN 82 H GLN 82 -1.258 1.576 2.384 628 HA GLN 82 HA GLN 82 0.094 4.135 2.177 629 HB2 GLN 82 1HB GLN 82 -0.266 2.656 4.761 630 HB3 GLN 82 2HB GLN 82 1.185 3.611 4.487 631 HG2 GLN 82 1HG GLN 82 -0.240 5.581 4.054 632 HG3 GLN 82 2HG GLN 82 -1.654 4.606 4.450 633 HE21 GLN 82 1HE2 GLN 82 0.716 6.644 5.641 634 HE22 GLN 82 2HE2 GLN 82 0.473 6.370 7.329 635 H VAL 83 H VAL 83 1.745 3.670 0.890 636 HA VAL 83 HA VAL 83 2.959 1.021 0.955 637 HB VAL 83 HB VAL 83 3.558 3.334 -0.894 638 HG11 VAL 83 1HG1 VAL 83 4.952 1.970 -2.065 639 HG12 VAL 83 2HG1 VAL 83 5.171 1.266 -0.461 640 HG13 VAL 83 3HG1 VAL 83 4.078 0.505 -1.618 641 HG21 VAL 83 1HG2 VAL 83 1.272 2.709 -1.208 642 HG22 VAL 83 2HG2 VAL 83 2.204 2.022 -2.538 643 HG23 VAL 83 3HG2 VAL 83 1.683 0.994 -1.203 644 H ARG 84 H ARG 84 5.039 0.594 1.545 645 HA ARG 84 HA ARG 84 6.764 2.819 2.340 646 HB2 ARG 84 1HB ARG 84 7.080 2.121 4.523 647 HB3 ARG 84 2HB ARG 84 5.369 1.789 4.291 648 HG2 ARG 84 1HG ARG 84 6.317 -0.572 3.543 649 HG3 ARG 84 2HG ARG 84 7.644 -0.081 4.599 650 HD2 ARG 84 1HD ARG 84 4.920 0.330 5.656 651 HD3 ARG 84 2HD ARG 84 5.430 -1.347 5.463 652 HE ARG 84 HE ARG 84 6.205 0.357 7.527 653 HH11 ARG 84 2HH1 ARG 84 7.661 -1.833 5.246 654 HH12 ARG 84 1HH1 ARG 84 8.990 -2.236 6.282 655 HH21 ARG 84 2HH2 ARG 84 7.950 -0.166 8.901 656 HH22 ARG 84 1HH2 ARG 84 9.152 -1.288 8.361 657 H ALA 85 H ALA 85 9.001 2.275 2.477 658 HA ALA 85 HA ALA 85 9.679 -0.131 0.924 659 HB1 ALA 85 1HB ALA 85 11.515 0.994 0.025 660 HB2 ALA 85 2HB ALA 85 10.243 2.216 0.058 661 HB3 ALA 85 3HB ALA 85 11.503 2.220 1.292 662 H ARG 86 H ARG 86 11.277 -1.521 1.614 663 HA ARG 86 HA ARG 86 12.490 -0.984 4.236 664 HB2 ARG 86 1HB ARG 86 10.557 -2.444 4.600 665 HB3 ARG 86 2HB ARG 86 11.172 -3.574 3.402 666 HG2 ARG 86 1HG ARG 86 12.971 -4.215 4.776 667 HG3 ARG 86 2HG ARG 86 12.723 -2.850 5.866 668 HD2 ARG 86 1HD ARG 86 10.406 -3.891 6.292 669 HD3 ARG 86 2HD ARG 86 11.090 -5.346 5.569 670 HE ARG 86 HE ARG 86 12.916 -4.764 7.431 671 HH11 ARG 86 2HH1 ARG 86 9.441 -4.915 7.584 672 HH12 ARG 86 1HH1 ARG 86 9.405 -5.389 9.250 673 HH21 ARG 86 2HH2 ARG 86 12.881 -5.388 9.625 674 HH22 ARG 86 1HH2 ARG 86 11.362 -5.656 10.410 675 H THR 87 H THR 87 14.606 -1.405 4.325 676 HA THR 87 HA THR 87 15.785 -3.037 2.170 677 HB THR 87 HB THR 87 17.832 -1.615 2.398 678 HG1 THR 87 1HG THR 87 16.772 -0.749 4.540 679 HG21 THR 87 1HG2 THR 87 16.146 -1.260 0.609 680 HG22 THR 87 2HG2 THR 87 16.991 0.219 1.068 681 HG23 THR 87 3HG2 THR 87 15.349 -0.073 1.641 682 H SER 88 H SER 88 18.070 -3.779 2.785 683 HA SER 88 HA SER 88 17.902 -5.471 5.009 684 HB2 SER 88 1HB SER 88 19.402 -6.233 3.414 685 HB3 SER 88 2HB SER 88 20.115 -4.638 3.171 686 HG SER 88 HG SER 88 20.927 -6.605 4.793 687 H ALA 89 H ALA 89 19.617 -2.396 4.577 688 HA ALA 89 HA ALA 89 20.872 -2.309 7.079 689 HB1 ALA 89 1HB ALA 89 21.399 -0.097 6.606 690 HB2 ALA 89 2HB ALA 89 21.207 -0.813 5.005 691 HB3 ALA 89 3HB ALA 89 19.912 0.166 5.694 692 H GLY 90 H GLY 90 17.899 -0.603 6.061 693 HA2 GLY 90 1HA GLY 90 16.766 -1.050 8.713 694 HA3 GLY 90 2HA GLY 90 17.034 0.624 8.249 695 H CYS 91 H CYS 91 14.919 1.260 8.158 696 HA CYS 91 HA CYS 91 13.456 0.451 5.805 697 HB2 CYS 91 1HB CYS 91 12.861 -1.143 7.770 698 HB3 CYS 91 2HB CYS 91 11.971 0.235 8.407 699 HG CYS 91 HG CYS 91 10.039 0.303 6.576 700 H GLY 92 H GLY 92 12.027 2.004 5.096 701 HA2 GLY 92 1HA GLY 92 12.352 4.620 6.268 702 HA3 GLY 92 2HA GLY 92 11.459 4.234 4.805 703 H ARG 93 H ARG 93 9.514 5.138 5.107 704 HA ARG 93 HA ARG 93 7.916 4.162 7.353 705 HB2 ARG 93 1HB ARG 93 8.246 7.077 6.627 706 HB3 ARG 93 2HB ARG 93 7.000 6.463 7.706 707 HG2 ARG 93 1HG ARG 93 8.544 5.887 9.357 708 HG3 ARG 93 2HG ARG 93 9.904 5.953 8.233 709 HD2 ARG 93 1HD ARG 93 9.745 8.345 8.094 710 HD3 ARG 93 2HD ARG 93 8.258 8.344 9.041 711 HE ARG 93 HE ARG 93 9.517 8.211 10.945 712 HH11 ARG 93 2HH1 ARG 93 11.495 7.349 8.213 713 HH12 ARG 93 1HH1 ARG 93 12.964 7.288 9.130 714 HH21 ARG 93 2HH2 ARG 93 11.444 8.134 12.163 715 HH22 ARG 93 1HH2 ARG 93 12.934 7.734 11.377 716 H PHE 94 H PHE 94 5.568 4.681 7.048 717 HA PHE 94 HA PHE 94 4.715 3.817 4.506 718 HB2 PHE 94 1HB PHE 94 3.390 4.737 7.002 719 HB3 PHE 94 2HB PHE 94 2.429 4.775 5.527 720 HD1 PHE 94 1HD PHE 94 3.053 2.465 4.058 721 HD2 PHE 94 2HD PHE 94 2.887 2.915 8.288 722 HE1 PHE 94 1HE PHE 94 2.596 0.059 4.293 723 HE2 PHE 94 2HE PHE 94 2.431 0.510 8.529 724 HZ PHE 94 HZ PHE 94 2.286 -0.922 6.531 725 H SER 95 H SER 95 3.529 4.901 2.893 726 HA SER 95 HA SER 95 4.433 7.573 2.388 727 HB2 SER 95 1HB SER 95 2.416 5.915 0.854 728 HB3 SER 95 2HB SER 95 3.227 7.369 0.273 729 HG SER 95 HG SER 95 4.115 4.797 0.347 730 H GLN 96 H GLN 96 2.651 9.120 1.412 731 HA GLN 96 HA GLN 96 1.187 10.163 3.505 732 HB2 GLN 96 1HB GLN 96 1.102 10.491 0.546 733 HB3 GLN 96 2HB GLN 96 -0.233 11.149 1.483 734 HG2 GLN 96 1HG GLN 96 1.325 12.482 2.793 735 HG3 GLN 96 2HG GLN 96 2.677 11.807 1.884 736 HE21 GLN 96 1HE2 GLN 96 3.366 13.748 1.068 737 HE22 GLN 96 2HE2 GLN 96 2.475 14.650 -0.105 738 H ALA 97 H ALA 97 -0.934 10.051 4.182 739 HA ALA 97 HA ALA 97 -2.233 7.603 4.103 740 HB1 ALA 97 1HB ALA 97 -4.023 9.887 4.483 741 HB2 ALA 97 2HB ALA 97 -3.659 8.536 5.557 742 HB3 ALA 97 3HB ALA 97 -2.574 9.925 5.488 743 H MET 98 H MET 98 -2.767 6.676 2.204 744 HA MET 98 HA MET 98 -3.989 8.225 0.082 745 HB2 MET 98 1HB MET 98 -2.403 6.574 -0.611 746 HB3 MET 98 2HB MET 98 -3.211 5.319 0.319 747 HG2 MET 98 1HG MET 98 -3.960 4.818 -1.768 748 HG3 MET 98 2HG MET 98 -5.234 5.915 -1.239 749 HE1 MET 98 1HE MET 98 -3.385 5.582 -4.832 750 HE2 MET 98 2HE MET 98 -4.694 4.895 -3.870 751 HE3 MET 98 3HE MET 98 -4.998 6.292 -4.904 752 H GLU 99 H GLU 99 -6.075 7.973 -0.698 753 HA GLU 99 HA GLU 99 -7.906 6.429 1.018 754 HB2 GLU 99 1HB GLU 99 -8.118 9.228 -0.018 755 HB3 GLU 99 2HB GLU 99 -9.585 8.293 0.236 756 HG2 GLU 99 1HG GLU 99 -8.712 7.873 2.590 757 HG3 GLU 99 2HG GLU 99 -7.549 9.156 2.259 758 H VAL 100 H VAL 100 -9.052 4.939 -0.014 759 HA VAL 100 HA VAL 100 -9.785 5.350 -2.816 760 HB VAL 100 HB VAL 100 -8.341 2.900 -1.800 761 HG11 VAL 100 1HG1 VAL 100 -9.729 1.846 -3.239 762 HG12 VAL 100 2HG1 VAL 100 -10.105 3.323 -4.129 763 HG13 VAL 100 3HG1 VAL 100 -8.595 2.465 -4.439 764 HG21 VAL 100 1HG2 VAL 100 -7.464 4.361 -4.214 765 HG22 VAL 100 2HG2 VAL 100 -7.221 5.178 -2.670 766 HG23 VAL 100 3HG2 VAL 100 -6.512 3.587 -2.946 767 H GLU 101 H GLU 101 -11.766 4.583 -3.325 768 HA GLU 101 HA GLU 101 -13.190 3.081 -1.229 769 HB2 GLU 101 1HB GLU 101 -13.899 5.492 -2.016 770 HB3 GLU 101 2HB GLU 101 -14.627 4.616 -3.355 771 HG2 GLU 101 1HG GLU 101 -15.662 3.166 -1.434 772 HG3 GLU 101 2HG GLU 101 -15.341 4.605 -0.469 773 H THR 102 H THR 102 -14.266 1.236 -1.738 774 HA THR 102 HA THR 102 -13.686 0.074 -4.344 775 HB THR 102 HB THR 102 -14.492 -2.035 -3.382 776 HG1 THR 102 1HG THR 102 -15.057 -0.401 -1.118 777 HG21 THR 102 1HG2 THR 102 -12.253 -0.507 -2.438 778 HG22 THR 102 2HG2 THR 102 -12.383 -2.247 -2.696 779 HG23 THR 102 3HG2 THR 102 -12.852 -1.548 -1.147 780 H GLY 103 H GLY 103 -15.448 -1.306 -5.344 781 HA2 GLY 103 1HA GLY 103 -17.693 0.368 -5.906 782 HA3 GLY 103 2HA GLY 103 -17.418 -1.249 -6.537 783 H LYS 104 H LYS 104 -19.544 0.508 -4.845 784 HA LYS 104 HA LYS 104 -20.190 -0.990 -2.584 785 HB2 LYS 104 1HB LYS 104 -21.753 0.809 -4.400 786 HB3 LYS 104 2HB LYS 104 -22.591 -0.098 -3.147 787 HG2 LYS 104 1HG LYS 104 -22.101 2.071 -2.296 788 HG3 LYS 104 2HG LYS 104 -21.051 0.914 -1.474 789 HD2 LYS 104 1HD LYS 104 -19.643 2.710 -2.008 790 HD3 LYS 104 2HD LYS 104 -19.312 1.506 -3.256 791 HE2 LYS 104 1HE LYS 104 -21.199 2.800 -4.546 792 HE3 LYS 104 2HE LYS 104 -20.753 4.109 -3.454 793 HZ1 LYS 104 1HZ LYS 104 -18.461 2.870 -4.610 794 HZ2 LYS 104 2HZ LYS 104 -18.916 4.499 -4.612 795 HZ3 LYS 104 3HZ LYS 104 -19.509 3.454 -5.803 796 HA PRO 105 HA PRO 105 -21.973 -4.733 -4.022 797 HB2 PRO 105 1HB PRO 105 -23.944 -5.134 -2.198 798 HB3 PRO 105 2HB PRO 105 -22.229 -5.328 -1.817 799 HG2 PRO 105 1HG PRO 105 -24.042 -3.010 -1.266 800 HG3 PRO 105 2HG PRO 105 -22.826 -3.755 -0.212 801 HD2 PRO 105 1HD PRO 105 -22.362 -1.465 -1.580 802 HD3 PRO 105 2HD PRO 105 -21.081 -2.643 -1.228 803 H SER 106 H SER 106 -22.865 -4.153 -6.017 804 HA SER 106 HA SER 106 -25.397 -2.829 -6.219 805 HB2 SER 106 1HB SER 106 -23.471 -4.063 -8.142 806 HB3 SER 106 2HB SER 106 -25.125 -3.774 -8.679 807 HG SER 106 HG SER 106 -24.365 -1.843 -9.059 808 H GLY 107 H GLY 107 -27.322 -3.723 -5.927 809 HA2 GLY 107 1HA GLY 107 -27.702 -6.544 -6.672 810 HA3 GLY 107 2HA GLY 107 -28.180 -6.006 -5.068 811 HA PRO 108 HA PRO 108 -31.724 -5.545 -8.117 812 HB2 PRO 108 1HB PRO 108 -33.448 -7.187 -6.812 813 HB3 PRO 108 2HB PRO 108 -32.317 -7.764 -8.042 814 HG2 PRO 108 1HG PRO 108 -32.083 -7.861 -5.059 815 HG3 PRO 108 2HG PRO 108 -31.693 -9.113 -6.253 816 HD2 PRO 108 1HD PRO 108 -29.800 -7.554 -5.106 817 HD3 PRO 108 2HD PRO 108 -29.655 -8.166 -6.766 818 H SER 109 H SER 109 -31.806 -3.393 -7.277 819 HA SER 109 HA SER 109 -33.146 -2.977 -4.728 820 HB2 SER 109 1HB SER 109 -31.831 -1.135 -6.718 821 HB3 SER 109 2HB SER 109 -32.805 -0.512 -5.386 822 HG SER 109 HG SER 109 -30.747 -2.367 -4.894 823 H SER 110 H SER 110 -34.769 -0.999 -4.848 824 HA SER 110 HA SER 110 -36.820 -1.792 -6.796 825 HB2 SER 110 1HB SER 110 -38.429 -0.741 -5.236 826 HB3 SER 110 2HB SER 110 -37.489 -2.013 -4.455 827 HG SER 110 HG SER 110 -37.781 0.294 -3.490 828 H GLY 111 H GLY 111 -38.211 -0.094 -7.681 829 HA2 GLY 111 1HA GLY 111 -36.957 2.562 -7.779 830 HA3 GLY 111 2HA GLY 111 -37.256 1.707 -9.285 Start of MODEL 4 1 H1 GLY 1 H GLY 1 25.113 11.513 26.421 2 HA2 GLY 1 1HA GLY 1 23.700 10.528 24.832 3 HA3 GLY 1 2HA GLY 1 24.931 10.792 23.606 4 H SER 2 H SER 2 23.356 8.385 24.254 5 HA SER 2 HA SER 2 25.084 6.497 25.510 6 HB2 SER 2 1HB SER 2 22.571 6.268 23.870 7 HB3 SER 2 2HB SER 2 23.470 4.832 24.359 8 HG SER 2 HG SER 2 22.517 6.826 26.140 9 H SER 3 H SER 3 25.725 4.445 24.293 10 HA SER 3 HA SER 3 27.190 5.270 21.894 11 HB2 SER 3 1HB SER 3 28.650 3.387 22.311 12 HB3 SER 3 2HB SER 3 28.445 4.280 23.818 13 HG SER 3 HG SER 3 26.836 2.051 23.159 14 H GLY 4 H GLY 4 27.268 3.920 20.029 15 HA2 GLY 4 1HA GLY 4 26.447 1.806 19.002 16 HA3 GLY 4 2HA GLY 4 24.908 2.158 19.774 17 H SER 5 H SER 5 26.735 2.475 16.971 18 HA SER 5 HA SER 5 25.467 4.851 15.956 19 HB2 SER 5 1HB SER 5 26.634 4.315 13.859 20 HB3 SER 5 2HB SER 5 27.735 4.228 15.234 21 HG SER 5 HG SER 5 28.129 2.384 14.174 22 H SER 6 H SER 6 23.506 4.955 15.108 23 HA SER 6 HA SER 6 21.605 3.069 14.979 24 HB2 SER 6 1HB SER 6 20.548 4.354 13.113 25 HB3 SER 6 2HB SER 6 21.103 5.375 14.440 26 HG SER 6 HG SER 6 22.500 4.900 12.013 27 H GLY 7 H GLY 7 23.943 3.707 12.380 28 HA2 GLY 7 1HA GLY 7 24.808 1.535 11.398 29 HA3 GLY 7 2HA GLY 7 23.111 1.165 11.129 30 H GLN 8 H GLN 8 22.136 1.884 9.316 31 HA GLN 8 HA GLN 8 23.707 3.671 7.577 32 HB2 GLN 8 1HB GLN 8 21.871 1.405 6.780 33 HB3 GLN 8 2HB GLN 8 22.667 2.502 5.658 34 HG2 GLN 8 1HG GLN 8 24.853 1.715 6.520 35 HG3 GLN 8 2HG GLN 8 23.993 0.536 7.509 36 HE21 GLN 8 1HE2 GLN 8 25.758 0.736 4.868 37 HE22 GLN 8 2HE2 GLN 8 25.035 -0.486 3.884 38 H ALA 9 H ALA 9 22.259 4.711 5.846 39 HA ALA 9 HA ALA 9 20.187 6.154 7.232 40 HB1 ALA 9 1HB ALA 9 20.644 7.765 5.770 41 HB2 ALA 9 2HB ALA 9 21.926 6.728 5.142 42 HB3 ALA 9 3HB ALA 9 20.326 6.701 4.399 43 H ALA 10 H ALA 10 18.082 5.720 7.212 44 HA ALA 10 HA ALA 10 17.019 3.443 5.934 45 HB1 ALA 10 1HB ALA 10 15.335 3.785 7.341 46 HB2 ALA 10 2HB ALA 10 16.182 5.225 7.908 47 HB3 ALA 10 3HB ALA 10 14.979 5.357 6.626 48 HA PRO 11 HA PRO 11 15.825 4.827 1.944 49 HB2 PRO 11 1HB PRO 11 13.460 3.542 1.591 50 HB3 PRO 11 2HB PRO 11 15.018 2.709 1.568 51 HG2 PRO 11 1HG PRO 11 13.023 2.932 3.788 52 HG3 PRO 11 2HG PRO 11 13.946 1.516 3.251 53 HD2 PRO 11 1HD PRO 11 14.655 2.984 5.413 54 HD3 PRO 11 2HD PRO 11 15.846 2.172 4.378 55 H SER 12 H SER 12 14.456 6.235 0.806 56 HA SER 12 HA SER 12 13.135 8.188 2.409 57 HB2 SER 12 1HB SER 12 12.458 9.088 0.081 58 HB3 SER 12 2HB SER 12 14.174 9.055 0.488 59 HG SER 12 HG SER 12 13.332 6.728 -0.645 60 H GLN 13 H GLN 13 10.948 8.738 2.472 61 HA GLN 13 HA GLN 13 9.146 6.527 2.363 62 HB2 GLN 13 1HB GLN 13 8.937 8.265 4.073 63 HB3 GLN 13 2HB GLN 13 8.611 9.465 2.830 64 HG2 GLN 13 1HG GLN 13 6.839 7.110 2.860 65 HG3 GLN 13 2HG GLN 13 6.702 8.214 4.228 66 HE21 GLN 13 1HE2 GLN 13 5.852 10.232 3.929 67 HE22 GLN 13 2HE2 GLN 13 5.109 10.740 2.455 68 H VAL 14 H VAL 14 7.933 5.862 0.722 69 HA VAL 14 HA VAL 14 8.073 7.010 -1.840 70 HB VAL 14 HB VAL 14 6.005 5.079 -0.780 71 HG11 VAL 14 1HG1 VAL 14 6.830 5.147 -3.629 72 HG12 VAL 14 2HG1 VAL 14 5.275 4.726 -2.908 73 HG13 VAL 14 3HG1 VAL 14 5.751 6.419 -3.058 74 HG21 VAL 14 1HG2 VAL 14 7.457 3.356 -1.816 75 HG22 VAL 14 2HG2 VAL 14 8.668 4.603 -2.116 76 HG23 VAL 14 3HG2 VAL 14 8.221 4.187 -0.461 77 H VAL 15 H VAL 15 7.356 9.043 -2.142 78 HA VAL 15 HA VAL 15 4.764 9.837 -1.043 79 HB VAL 15 HB VAL 15 5.354 12.109 -1.761 80 HG11 VAL 15 1HG1 VAL 15 7.726 11.990 -0.404 81 HG12 VAL 15 2HG1 VAL 15 6.127 12.066 0.340 82 HG13 VAL 15 3HG1 VAL 15 6.923 10.508 0.114 83 HG21 VAL 15 1HG2 VAL 15 6.636 11.704 -3.728 84 HG22 VAL 15 2HG2 VAL 15 7.696 12.510 -2.571 85 HG23 VAL 15 3HG2 VAL 15 7.833 10.771 -2.829 86 H VAL 16 H VAL 16 5.665 8.211 -3.651 87 HA VAL 16 HA VAL 16 3.730 9.558 -5.423 88 HB VAL 16 HB VAL 16 5.823 9.675 -6.518 89 HG11 VAL 16 1HG1 VAL 16 7.377 7.882 -6.744 90 HG12 VAL 16 2HG1 VAL 16 6.926 7.977 -5.040 91 HG13 VAL 16 3HG1 VAL 16 6.230 6.725 -6.070 92 HG21 VAL 16 1HG2 VAL 16 4.888 9.046 -8.430 93 HG22 VAL 16 2HG2 VAL 16 5.247 7.358 -8.067 94 HG23 VAL 16 3HG2 VAL 16 3.722 8.070 -7.537 95 H ILE 17 H ILE 17 1.861 8.492 -5.274 96 HA ILE 17 HA ILE 17 1.872 5.611 -5.776 97 HB ILE 17 HB ILE 17 0.526 6.931 -3.427 98 HG12 ILE 17 1HG1 ILE 17 2.277 4.471 -3.579 99 HG13 ILE 17 2HG1 ILE 17 2.879 6.082 -3.207 100 HG21 ILE 17 1HG2 ILE 17 -0.535 4.701 -3.033 101 HG22 ILE 17 2HG2 ILE 17 -1.162 5.576 -4.429 102 HG23 ILE 17 3HG2 ILE 17 -0.034 4.241 -4.660 103 HD11 ILE 17 1HD1 ILE 17 1.243 6.090 -1.278 104 HD12 ILE 17 2HD1 ILE 17 1.036 4.365 -1.583 105 HD13 ILE 17 3HD1 ILE 17 2.622 5.000 -1.146 106 H ARG 18 H ARG 18 0.091 4.854 -6.878 107 HA ARG 18 HA ARG 18 -2.092 6.718 -7.439 108 HB2 ARG 18 1HB ARG 18 -0.649 5.245 -9.645 109 HB3 ARG 18 2HB ARG 18 -1.944 6.422 -9.819 110 HG2 ARG 18 1HG ARG 18 -0.544 8.211 -9.232 111 HG3 ARG 18 2HG ARG 18 0.695 7.134 -8.585 112 HD2 ARG 18 1HD ARG 18 1.242 6.346 -10.783 113 HD3 ARG 18 2HD ARG 18 -0.120 7.220 -11.484 114 HE ARG 18 HE ARG 18 1.446 9.121 -10.246 115 HH11 ARG 18 2HH1 ARG 18 1.835 6.771 -12.786 116 HH12 ARG 18 1HH1 ARG 18 3.017 7.703 -13.645 117 HH21 ARG 18 2HH2 ARG 18 3.001 10.357 -11.368 118 HH22 ARG 18 1HH2 ARG 18 3.680 9.741 -12.837 119 H GLN 19 H GLN 19 -3.797 5.535 -8.852 120 HA GLN 19 HA GLN 19 -4.021 2.750 -7.919 121 HB2 GLN 19 1HB GLN 19 -5.562 4.044 -6.628 122 HB3 GLN 19 2HB GLN 19 -6.145 4.888 -8.056 123 HG2 GLN 19 1HG GLN 19 -6.779 2.439 -8.809 124 HG3 GLN 19 2HG GLN 19 -6.778 2.165 -7.067 125 HE21 GLN 19 1HE2 GLN 19 -8.202 3.420 -5.762 126 HE22 GLN 19 2HE2 GLN 19 -9.651 4.079 -6.433 127 H GLU 20 H GLU 20 -3.804 1.464 -9.626 128 HA GLU 20 HA GLU 20 -4.305 2.288 -12.297 129 HB2 GLU 20 1HB GLU 20 -3.466 -0.212 -10.943 130 HB3 GLU 20 2HB GLU 20 -4.209 -0.393 -12.526 131 HG2 GLU 20 1HG GLU 20 -2.025 1.597 -12.176 132 HG3 GLU 20 2HG GLU 20 -1.623 -0.116 -12.275 133 H ARG 21 H ARG 21 -5.951 -0.120 -10.241 134 HA ARG 21 HA ARG 21 -8.496 0.612 -11.447 135 HB2 ARG 21 1HB ARG 21 -7.561 -2.261 -11.440 136 HB3 ARG 21 2HB ARG 21 -9.078 -1.644 -12.081 137 HG2 ARG 21 1HG ARG 21 -7.742 -0.319 -13.730 138 HG3 ARG 21 2HG ARG 21 -6.311 -1.182 -13.163 139 HD2 ARG 21 1HD ARG 21 -8.767 -2.603 -14.156 140 HD3 ARG 21 2HD ARG 21 -7.468 -2.098 -15.236 141 HE ARG 21 HE ARG 21 -6.118 -3.756 -14.361 142 HH11 ARG 21 2HH1 ARG 21 -9.058 -3.489 -12.516 143 HH12 ARG 21 1HH1 ARG 21 -8.801 -4.967 -11.648 144 HH21 ARG 21 2HH2 ARG 21 -5.768 -5.702 -13.224 145 HH22 ARG 21 1HH2 ARG 21 -6.929 -6.224 -12.051 146 H ALA 22 H ALA 22 -10.253 0.219 -10.139 147 HA ALA 22 HA ALA 22 -9.673 -0.976 -7.507 148 HB1 ALA 22 1HB ALA 22 -10.707 1.656 -8.179 149 HB2 ALA 22 2HB ALA 22 -11.745 0.782 -7.052 150 HB3 ALA 22 3HB ALA 22 -10.047 1.052 -6.659 151 H GLY 23 H GLY 23 -11.196 -2.326 -6.628 152 HA2 GLY 23 1HA GLY 23 -13.672 -2.744 -8.171 153 HA3 GLY 23 2HA GLY 23 -12.645 -4.110 -7.761 154 H GLN 24 H GLN 24 -14.676 -4.878 -6.757 155 HA GLN 24 HA GLN 24 -15.771 -3.586 -4.490 156 HB2 GLN 24 1HB GLN 24 -16.008 -6.269 -5.745 157 HB3 GLN 24 2HB GLN 24 -16.502 -6.124 -4.063 158 HG2 GLN 24 1HG GLN 24 -17.790 -4.011 -5.063 159 HG3 GLN 24 2HG GLN 24 -17.733 -5.019 -6.508 160 HE21 GLN 24 1HE2 GLN 24 -19.296 -6.445 -6.751 161 HE22 GLN 24 2HE2 GLN 24 -20.332 -7.040 -5.503 162 H THR 25 H THR 25 -13.797 -6.554 -4.660 163 HA THR 25 HA THR 25 -12.781 -5.906 -1.968 164 HB THR 25 HB THR 25 -12.802 -8.121 -1.339 165 HG1 THR 25 1HG THR 25 -12.403 -9.771 -2.692 166 HG21 THR 25 1HG2 THR 25 -15.088 -7.674 -1.488 167 HG22 THR 25 2HG2 THR 25 -14.917 -9.191 -2.372 168 HG23 THR 25 3HG2 THR 25 -15.070 -7.670 -3.251 169 H SER 26 H SER 26 -11.804 -5.349 -4.828 170 HA SER 26 HA SER 26 -9.043 -6.203 -4.326 171 HB2 SER 26 1HB SER 26 -8.770 -6.612 -6.790 172 HB3 SER 26 2HB SER 26 -9.830 -7.767 -5.982 173 HG SER 26 HG SER 26 -10.383 -6.126 -8.025 174 H VAL 27 H VAL 27 -7.464 -4.763 -4.977 175 HA VAL 27 HA VAL 27 -8.169 -2.394 -6.484 176 HB VAL 27 HB VAL 27 -7.303 -2.179 -3.598 177 HG11 VAL 27 1HG1 VAL 27 -7.325 0.246 -3.958 178 HG12 VAL 27 2HG1 VAL 27 -6.118 -0.553 -4.968 179 HG13 VAL 27 3HG1 VAL 27 -7.643 -0.016 -5.672 180 HG21 VAL 27 1HG2 VAL 27 -9.843 -1.556 -5.062 181 HG22 VAL 27 2HG2 VAL 27 -9.615 -2.482 -3.579 182 HG23 VAL 27 3HG2 VAL 27 -9.431 -0.728 -3.561 183 H SER 28 H SER 28 -6.451 -1.555 -7.545 184 HA SER 28 HA SER 28 -3.837 -2.796 -7.013 185 HB2 SER 28 1HB SER 28 -4.810 -3.219 -9.256 186 HB3 SER 28 2HB SER 28 -4.822 -1.482 -9.558 187 HG SER 28 HG SER 28 -2.507 -1.564 -9.204 188 H LEU 29 H LEU 29 -1.966 -1.538 -6.961 189 HA LEU 29 HA LEU 29 -2.347 1.375 -6.885 190 HB2 LEU 29 1HB LEU 29 -0.785 -0.240 -4.875 191 HB3 LEU 29 2HB LEU 29 -0.897 1.518 -4.923 192 HG LEU 29 HG LEU 29 -3.246 -0.314 -4.452 193 HD11 LEU 29 1HD1 LEU 29 -1.497 -0.440 -2.671 194 HD12 LEU 29 2HD1 LEU 29 -3.059 0.170 -2.127 195 HD13 LEU 29 3HD1 LEU 29 -1.725 1.289 -2.407 196 HD21 LEU 29 1HD2 LEU 29 -4.281 1.787 -3.618 197 HD22 LEU 29 2HD2 LEU 29 -3.918 1.810 -5.344 198 HD23 LEU 29 3HD2 LEU 29 -2.873 2.668 -4.211 199 H LEU 30 H LEU 30 -0.758 2.547 -7.818 200 HA LEU 30 HA LEU 30 1.598 1.071 -8.794 201 HB2 LEU 30 1HB LEU 30 -0.182 3.072 -10.072 202 HB3 LEU 30 2HB LEU 30 1.531 3.125 -10.482 203 HG LEU 30 HG LEU 30 -0.490 0.995 -11.069 204 HD11 LEU 30 1HD1 LEU 30 1.364 2.757 -12.591 205 HD12 LEU 30 2HD1 LEU 30 -0.327 2.362 -12.897 206 HD13 LEU 30 3HD1 LEU 30 0.934 1.185 -13.266 207 HD21 LEU 30 1HD2 LEU 30 2.421 0.656 -10.575 208 HD22 LEU 30 2HD2 LEU 30 1.697 -0.219 -11.925 209 HD23 LEU 30 3HD2 LEU 30 1.086 -0.459 -10.287 210 H TRP 31 H TRP 31 3.518 1.745 -8.106 211 HA TRP 31 HA TRP 31 3.914 4.543 -7.382 212 HB2 TRP 31 1HB TRP 31 4.802 4.067 -5.203 213 HB3 TRP 31 2HB TRP 31 3.211 3.318 -5.307 214 HD1 TRP 31 HD TRP 31 6.938 2.421 -5.182 215 HE1 TRP 31 1HE TRP 31 7.160 -0.062 -4.541 216 HE3 TRP 31 3HE TRP 31 2.004 1.092 -5.361 217 HZ2 TRP 31 2HZ TRP 31 5.467 -2.289 -4.162 218 HZ3 TRP 31 3HZ TRP 31 1.390 -1.234 -4.846 219 HH2 TRP 31 HH TRP 31 3.087 -2.888 -4.260 220 H GLN 32 H GLN 32 5.842 5.268 -8.038 221 HA GLN 32 HA GLN 32 7.713 3.352 -9.183 222 HB2 GLN 32 1HB GLN 32 8.663 5.161 -10.362 223 HB3 GLN 32 2HB GLN 32 6.931 5.461 -10.377 224 HG2 GLN 32 1HG GLN 32 7.101 7.173 -8.785 225 HG3 GLN 32 2HG GLN 32 8.736 6.696 -8.328 226 HE21 GLN 32 1HE2 GLN 32 6.778 8.384 -10.629 227 HE22 GLN 32 2HE2 GLN 32 8.070 9.160 -11.473 228 H GLU 33 H GLU 33 10.106 3.933 -8.908 229 HA GLU 33 HA GLU 33 10.895 3.474 -6.303 230 HB2 GLU 33 1HB GLU 33 12.271 4.440 -8.756 231 HB3 GLU 33 2HB GLU 33 13.120 4.630 -7.229 232 HG2 GLU 33 1HG GLU 33 13.398 2.393 -6.938 233 HG3 GLU 33 2HG GLU 33 11.931 1.982 -7.824 234 HA PRO 34 HA PRO 34 10.352 7.358 -4.274 235 HB2 PRO 34 1HB PRO 34 11.868 6.842 -2.083 236 HB3 PRO 34 2HB PRO 34 10.263 6.143 -2.326 237 HG2 PRO 34 1HG PRO 34 12.953 4.923 -2.811 238 HG3 PRO 34 2HG PRO 34 11.515 4.201 -2.066 239 HD2 PRO 34 1HD PRO 34 12.217 3.727 -4.637 240 HD3 PRO 34 2HD PRO 34 10.525 3.765 -4.101 241 H GLU 35 H GLU 35 11.641 9.158 -3.418 242 HA GLU 35 HA GLU 35 13.510 10.161 -5.096 243 HB2 GLU 35 1HB GLU 35 13.315 10.570 -2.110 244 HB3 GLU 35 2HB GLU 35 14.333 11.546 -3.160 245 HG2 GLU 35 1HG GLU 35 12.081 11.889 -4.472 246 HG3 GLU 35 2HG GLU 35 11.375 11.482 -2.909 247 H GLN 36 H GLN 36 14.488 8.834 -1.932 248 HA GLN 36 HA GLN 36 16.847 7.662 -3.231 249 HB2 GLN 36 1HB GLN 36 16.793 9.422 -0.786 250 HB3 GLN 36 2HB GLN 36 18.134 8.338 -1.131 251 HG2 GLN 36 1HG GLN 36 18.134 9.546 -3.445 252 HG3 GLN 36 2HG GLN 36 17.275 10.805 -2.560 253 HE21 GLN 36 1HE2 GLN 36 18.739 12.365 -2.338 254 HE22 GLN 36 2HE2 GLN 36 20.302 12.174 -1.628 255 HA PRO 37 HA PRO 37 14.968 4.299 -0.865 256 HB2 PRO 37 1HB PRO 37 16.250 2.337 -2.235 257 HB3 PRO 37 2HB PRO 37 14.795 3.138 -2.839 258 HG2 PRO 37 1HG PRO 37 17.662 3.639 -3.538 259 HG3 PRO 37 2HG PRO 37 16.249 3.551 -4.606 260 HD2 PRO 37 1HD PRO 37 17.328 5.903 -3.807 261 HD3 PRO 37 2HD PRO 37 15.591 5.706 -4.121 262 H ASN 38 H ASN 38 18.253 5.239 -1.327 263 HA ASN 38 HA ASN 38 20.163 4.897 -0.141 264 HB2 ASN 38 1HB ASN 38 18.008 4.515 1.900 265 HB3 ASN 38 2HB ASN 38 19.676 4.161 2.344 266 HD21 ASN 38 1HD2 ASN 38 17.337 6.564 1.876 267 HD22 ASN 38 2HD2 ASN 38 18.350 7.940 2.132 268 H GLY 39 H GLY 39 19.607 2.830 -1.810 269 HA2 GLY 39 1HA GLY 39 21.072 0.824 -1.752 270 HA3 GLY 39 2HA GLY 39 20.329 0.458 -0.201 271 H ILE 40 H ILE 40 19.961 -1.630 -1.355 272 HA ILE 40 HA ILE 40 17.849 -1.610 -3.348 273 HB ILE 40 HB ILE 40 19.339 -3.898 -2.058 274 HG12 ILE 40 1HG1 ILE 40 20.006 -4.024 -4.643 275 HG13 ILE 40 2HG1 ILE 40 19.674 -2.298 -4.547 276 HG21 ILE 40 1HG2 ILE 40 16.981 -4.418 -2.772 277 HG22 ILE 40 2HG2 ILE 40 17.484 -4.052 -4.421 278 HG23 ILE 40 3HG2 ILE 40 18.239 -5.383 -3.545 279 HD11 ILE 40 1HD1 ILE 40 22.002 -2.642 -4.189 280 HD12 ILE 40 2HD1 ILE 40 21.278 -2.171 -2.650 281 HD13 ILE 40 3HD1 ILE 40 21.687 -3.859 -2.952 282 H ILE 41 H ILE 41 15.759 -1.757 -2.892 283 HA ILE 41 HA ILE 41 14.909 -2.226 -0.161 284 HB ILE 41 HB ILE 41 13.277 -1.582 -2.620 285 HG12 ILE 41 1HG1 ILE 41 13.865 0.281 -0.335 286 HG13 ILE 41 2HG1 ILE 41 14.991 0.124 -1.679 287 HG21 ILE 41 1HG2 ILE 41 12.560 -1.948 0.261 288 HG22 ILE 41 2HG2 ILE 41 11.619 -0.869 -0.767 289 HG23 ILE 41 3HG2 ILE 41 11.759 -2.578 -1.178 290 HD11 ILE 41 1HD1 ILE 41 12.857 1.843 -1.539 291 HD12 ILE 41 2HD1 ILE 41 13.732 1.388 -3.002 292 HD13 ILE 41 3HD1 ILE 41 12.255 0.534 -2.556 293 H LEU 42 H LEU 42 14.749 -4.272 0.493 294 HA LEU 42 HA LEU 42 14.602 -6.563 -0.985 295 HB2 LEU 42 1HB LEU 42 13.273 -6.055 1.673 296 HB3 LEU 42 2HB LEU 42 13.612 -7.643 0.988 297 HG LEU 42 HG LEU 42 15.735 -5.626 1.708 298 HD11 LEU 42 1HD1 LEU 42 16.062 -6.720 3.746 299 HD12 LEU 42 2HD1 LEU 42 15.061 -8.093 3.275 300 HD13 LEU 42 3HD1 LEU 42 14.312 -6.536 3.628 301 HD21 LEU 42 1HD2 LEU 42 16.149 -7.454 -0.045 302 HD22 LEU 42 2HD2 LEU 42 16.068 -8.580 1.310 303 HD23 LEU 42 3HD2 LEU 42 17.293 -7.311 1.290 304 H GLU 43 H GLU 43 11.791 -4.885 0.437 305 HA GLU 43 HA GLU 43 10.182 -5.479 -1.871 306 HB2 GLU 43 1HB GLU 43 8.507 -6.820 -0.757 307 HB3 GLU 43 2HB GLU 43 10.071 -7.609 -0.612 308 HG2 GLU 43 1HG GLU 43 8.885 -7.772 1.470 309 HG3 GLU 43 2HG GLU 43 10.286 -6.722 1.669 310 H TYR 44 H TYR 44 7.932 -4.627 -1.602 311 HA TYR 44 HA TYR 44 8.021 -2.199 0.049 312 HB2 TYR 44 1HB TYR 44 6.644 -2.895 -2.524 313 HB3 TYR 44 2HB TYR 44 6.030 -1.584 -1.523 314 HD1 TYR 44 2HD TYR 44 7.315 0.465 -1.230 315 HD2 TYR 44 1HD TYR 44 8.765 -2.694 -3.683 316 HE1 TYR 44 2HE TYR 44 8.965 1.998 -2.218 317 HE2 TYR 44 1HE TYR 44 10.419 -1.171 -4.677 318 HH TYR 44 HH TYR 44 10.950 1.053 -4.941 319 H GLU 45 H GLU 45 7.024 -2.437 1.938 320 HA GLU 45 HA GLU 45 4.899 -4.335 2.321 321 HB2 GLU 45 1HB GLU 45 6.752 -3.450 3.994 322 HB3 GLU 45 2HB GLU 45 5.528 -2.238 4.349 323 HG2 GLU 45 1HG GLU 45 3.931 -4.125 4.782 324 HG3 GLU 45 2HG GLU 45 5.310 -5.217 4.667 325 H ILE 46 H ILE 46 2.779 -3.992 2.184 326 HA ILE 46 HA ILE 46 1.840 -1.207 1.958 327 HB ILE 46 HB ILE 46 0.590 -3.670 0.736 328 HG12 ILE 46 1HG1 ILE 46 1.748 -1.443 -0.879 329 HG13 ILE 46 2HG1 ILE 46 2.853 -2.612 -0.164 330 HG21 ILE 46 1HG2 ILE 46 -0.819 -1.591 1.447 331 HG22 ILE 46 2HG2 ILE 46 -0.111 -0.863 0.006 332 HG23 ILE 46 3HG2 ILE 46 -1.074 -2.335 -0.131 333 HD11 ILE 46 1HD1 ILE 46 1.933 -4.385 -1.392 334 HD12 ILE 46 2HD1 ILE 46 0.512 -3.442 -1.843 335 HD13 ILE 46 3HD1 ILE 46 2.087 -3.049 -2.533 336 H LYS 47 H LYS 47 0.758 -0.562 3.688 337 HA LYS 47 HA LYS 47 -0.764 -2.549 5.236 338 HB2 LYS 47 1HB LYS 47 0.883 -1.508 6.610 339 HB3 LYS 47 2HB LYS 47 0.465 0.093 6.015 340 HG2 LYS 47 1HG LYS 47 -1.792 -0.218 7.078 341 HG3 LYS 47 2HG LYS 47 -1.142 -1.669 7.844 342 HD2 LYS 47 1HD LYS 47 0.229 -0.485 9.238 343 HD3 LYS 47 2HD LYS 47 0.408 0.854 8.102 344 HE2 LYS 47 1HE LYS 47 -1.655 1.783 8.698 345 HE3 LYS 47 2HE LYS 47 -2.213 0.289 9.449 346 HZ1 LYS 47 1HZ LYS 47 -0.122 0.785 10.969 347 HZ2 LYS 47 2HZ LYS 47 -1.650 1.429 11.303 348 HZ3 LYS 47 3HZ LYS 47 -0.484 2.376 10.525 349 H TYR 48 H TYR 48 -2.872 -2.546 4.857 350 HA TYR 48 HA TYR 48 -4.194 0.028 4.294 351 HB2 TYR 48 1HB TYR 48 -5.889 -1.414 3.028 352 HB3 TYR 48 2HB TYR 48 -4.321 -1.170 2.266 353 HD1 TYR 48 1HD TYR 48 -2.537 -3.031 2.744 354 HD2 TYR 48 2HD TYR 48 -6.733 -3.564 3.204 355 HE1 TYR 48 1HE TYR 48 -2.242 -5.466 2.561 356 HE2 TYR 48 2HE TYR 48 -6.449 -6.001 3.024 357 HH TYR 48 HH TYR 48 -4.982 -7.682 2.934 358 H TYR 49 H TYR 49 -5.693 0.610 5.712 359 HA TYR 49 HA TYR 49 -7.048 -1.475 7.284 360 HB2 TYR 49 1HB TYR 49 -6.912 -0.062 9.278 361 HB3 TYR 49 2HB TYR 49 -5.303 -0.441 8.674 362 HD1 TYR 49 1HD TYR 49 -7.915 2.206 8.257 363 HD2 TYR 49 2HD TYR 49 -3.776 1.282 8.597 364 HE1 TYR 49 1HE TYR 49 -7.381 4.606 8.195 365 HE2 TYR 49 2HE TYR 49 -3.230 3.680 8.538 366 HH TYR 49 HH TYR 49 -5.721 6.118 7.982 367 H GLU 50 H GLU 50 -9.055 -0.640 8.354 368 HA GLU 50 HA GLU 50 -10.778 0.486 6.444 369 HB2 GLU 50 1HB GLU 50 -10.984 -0.261 9.314 370 HB3 GLU 50 2HB GLU 50 -12.208 0.830 8.679 371 HG2 GLU 50 1HG GLU 50 -13.099 -0.749 7.287 372 HG3 GLU 50 2HG GLU 50 -11.589 -1.651 7.164 373 H LYS 51 H LYS 51 -10.861 2.517 5.779 374 HA LYS 51 HA LYS 51 -9.519 4.684 6.703 375 HB2 LYS 51 1HB LYS 51 -10.615 4.923 4.637 376 HB3 LYS 51 2HB LYS 51 -12.178 4.486 5.314 377 HG2 LYS 51 1HG LYS 51 -12.177 6.827 4.841 378 HG3 LYS 51 2HG LYS 51 -12.159 6.612 6.593 379 HD2 LYS 51 1HD LYS 51 -9.672 6.914 6.515 380 HD3 LYS 51 2HD LYS 51 -9.840 7.342 4.810 381 HE2 LYS 51 1HE LYS 51 -11.145 8.767 7.127 382 HE3 LYS 51 2HE LYS 51 -9.730 9.328 6.239 383 HZ1 LYS 51 1HZ LYS 51 -12.063 8.721 4.627 384 HZ2 LYS 51 2HZ LYS 51 -10.975 10.011 4.516 385 HZ3 LYS 51 3HZ LYS 51 -12.223 10.054 5.657 386 H ASP 52 H ASP 52 -12.825 3.779 7.659 387 HA ASP 52 HA ASP 52 -13.043 5.887 9.579 388 HB2 ASP 52 1HB ASP 52 -14.935 4.617 8.341 389 HB3 ASP 52 2HB ASP 52 -14.736 3.403 9.602 390 H LYS 53 H LYS 53 -12.312 2.433 9.729 391 HA LYS 53 HA LYS 53 -11.755 2.702 12.602 392 HB2 LYS 53 1HB LYS 53 -12.070 0.197 10.938 393 HB3 LYS 53 2HB LYS 53 -11.837 0.254 12.680 394 HG2 LYS 53 1HG LYS 53 -14.185 1.512 11.287 395 HG3 LYS 53 2HG LYS 53 -14.190 -0.138 11.915 396 HD2 LYS 53 1HD LYS 53 -14.131 0.556 14.111 397 HD3 LYS 53 2HD LYS 53 -13.372 2.100 13.713 398 HE2 LYS 53 1HE LYS 53 -15.507 2.783 14.211 399 HE3 LYS 53 2HE LYS 53 -15.635 2.542 12.470 400 HZ1 LYS 53 1HZ LYS 53 -16.379 0.185 13.128 401 HZ2 LYS 53 2HZ LYS 53 -17.483 1.456 13.286 402 HZ3 LYS 53 3HZ LYS 53 -16.680 0.858 14.650 403 H GLU 54 H GLU 54 -9.705 3.290 12.940 404 HA GLU 54 HA GLU 54 -7.599 2.127 11.257 405 HB2 GLU 54 1HB GLU 54 -7.354 4.425 13.201 406 HB3 GLU 54 2HB GLU 54 -6.180 3.928 11.991 407 HG2 GLU 54 1HG GLU 54 -7.323 4.886 10.277 408 HG3 GLU 54 2HG GLU 54 -8.891 4.671 11.053 409 H MET 55 H MET 55 -8.660 2.487 14.589 410 HA MET 55 HA MET 55 -6.386 1.333 15.810 411 HB2 MET 55 1HB MET 55 -9.241 1.435 16.800 412 HB3 MET 55 2HB MET 55 -7.831 1.066 17.783 413 HG2 MET 55 1HG MET 55 -8.529 3.674 16.470 414 HG3 MET 55 2HG MET 55 -8.412 3.322 18.192 415 HE1 MET 55 1HE MET 55 -6.897 4.607 15.138 416 HE2 MET 55 2HE MET 55 -5.147 4.600 15.353 417 HE3 MET 55 3HE MET 55 -5.984 3.118 14.888 418 H GLN 56 H GLN 56 -9.393 -0.018 14.560 419 HA GLN 56 HA GLN 56 -9.218 -2.595 15.579 420 HB2 GLN 56 1HB GLN 56 -10.281 -1.720 12.887 421 HB3 GLN 56 2HB GLN 56 -10.604 -3.272 13.649 422 HG2 GLN 56 1HG GLN 56 -11.271 -0.762 15.109 423 HG3 GLN 56 2HG GLN 56 -12.327 -1.323 13.813 424 HE21 GLN 56 1HE2 GLN 56 -10.875 -2.214 16.886 425 HE22 GLN 56 2HE2 GLN 56 -12.083 -3.364 17.335 426 H SER 57 H SER 57 -8.757 -4.598 14.270 427 HA SER 57 HA SER 57 -6.062 -4.774 13.657 428 HB2 SER 57 1HB SER 57 -7.349 -6.755 14.185 429 HB3 SER 57 2HB SER 57 -8.349 -6.538 12.748 430 HG SER 57 HG SER 57 -6.067 -7.861 12.959 431 H TYR 58 H TYR 58 -4.854 -4.696 11.807 432 HA TYR 58 HA TYR 58 -6.232 -3.718 9.392 433 HB2 TYR 58 1HB TYR 58 -4.211 -2.442 8.864 434 HB3 TYR 58 2HB TYR 58 -4.844 -1.981 10.440 435 HD1 TYR 58 1HD TYR 58 -2.146 -3.775 8.693 436 HD2 TYR 58 2HD TYR 58 -3.589 -2.385 12.446 437 HE1 TYR 58 1HE TYR 58 0.054 -4.222 9.697 438 HE2 TYR 58 2HE TYR 58 -1.393 -2.828 13.461 439 HH TYR 58 HH TYR 58 1.216 -4.340 11.608 440 H SER 59 H SER 59 -5.348 -4.338 7.355 441 HA SER 59 HA SER 59 -4.057 -6.967 7.461 442 HB2 SER 59 1HB SER 59 -5.664 -5.574 5.315 443 HB3 SER 59 2HB SER 59 -4.798 -7.084 5.034 444 HG SER 59 HG SER 59 -7.169 -7.007 5.826 445 H THR 60 H THR 60 -2.089 -7.350 6.623 446 HA THR 60 HA THR 60 -0.706 -5.087 5.337 447 HB THR 60 HB THR 60 0.619 -7.352 6.831 448 HG1 THR 60 1HG THR 60 -0.204 -6.329 8.512 449 HG21 THR 60 1HG2 THR 60 2.603 -6.216 6.567 450 HG22 THR 60 2HG2 THR 60 1.808 -4.652 6.388 451 HG23 THR 60 3HG2 THR 60 1.795 -5.806 5.055 452 H LEU 61 H LEU 61 0.304 -5.389 3.418 453 HA LEU 61 HA LEU 61 0.275 -8.111 2.291 454 HB2 LEU 61 1HB LEU 61 -1.432 -6.819 1.212 455 HB3 LEU 61 2HB LEU 61 -0.313 -5.485 0.938 456 HG LEU 61 HG LEU 61 0.986 -7.101 -0.550 457 HD11 LEU 61 1HD1 LEU 61 -1.537 -8.593 -0.947 458 HD12 LEU 61 2HD1 LEU 61 -0.569 -9.014 0.465 459 HD13 LEU 61 3HD1 LEU 61 0.137 -9.113 -1.148 460 HD21 LEU 61 1HD2 LEU 61 -0.322 -6.543 -2.449 461 HD22 LEU 61 2HD2 LEU 61 -0.517 -5.224 -1.294 462 HD23 LEU 61 3HD2 LEU 61 -1.795 -6.426 -1.485 463 H LYS 62 H LYS 62 1.982 -8.681 0.909 464 HA LYS 62 HA LYS 62 4.333 -6.911 1.085 465 HB2 LYS 62 1HB LYS 62 4.093 -9.905 1.252 466 HB3 LYS 62 2HB LYS 62 5.613 -9.139 0.807 467 HG2 LYS 62 1HG LYS 62 4.227 -8.226 3.275 468 HG3 LYS 62 2HG LYS 62 5.080 -9.771 3.296 469 HD2 LYS 62 1HD LYS 62 7.102 -8.591 2.443 470 HD3 LYS 62 2HD LYS 62 6.230 -7.065 2.618 471 HE2 LYS 62 1HE LYS 62 7.372 -7.149 4.610 472 HE3 LYS 62 2HE LYS 62 5.849 -7.911 5.064 473 HZ1 LYS 62 1HZ LYS 62 8.465 -9.184 4.559 474 HZ2 LYS 62 2HZ LYS 62 7.032 -10.079 4.476 475 HZ3 LYS 62 3HZ LYS 62 7.469 -9.315 5.921 476 H ALA 63 H ALA 63 5.168 -6.225 -0.773 477 HA ALA 63 HA ALA 63 4.558 -7.732 -3.230 478 HB1 ALA 63 1HB ALA 63 3.183 -5.719 -3.138 479 HB2 ALA 63 2HB ALA 63 4.630 -4.731 -2.938 480 HB3 ALA 63 3HB ALA 63 4.369 -5.618 -4.440 481 H VAL 64 H VAL 64 6.228 -8.124 -4.574 482 HA VAL 64 HA VAL 64 8.881 -7.311 -3.686 483 HB VAL 64 HB VAL 64 9.703 -8.914 -5.388 484 HG11 VAL 64 1HG1 VAL 64 9.292 -10.800 -4.108 485 HG12 VAL 64 2HG1 VAL 64 8.961 -9.490 -2.973 486 HG13 VAL 64 3HG1 VAL 64 7.627 -10.330 -3.765 487 HG21 VAL 64 1HG2 VAL 64 6.796 -9.590 -5.812 488 HG22 VAL 64 2HG2 VAL 64 7.774 -8.647 -6.938 489 HG23 VAL 64 3HG2 VAL 64 8.189 -10.328 -6.603 490 H THR 65 H THR 65 6.644 -6.759 -6.303 491 HA THR 65 HA THR 65 8.657 -5.166 -7.733 492 HB THR 65 HB THR 65 7.678 -6.648 -9.266 493 HG1 THR 65 1HG THR 65 5.888 -4.558 -9.750 494 HG21 THR 65 1HG2 THR 65 4.990 -5.909 -8.102 495 HG22 THR 65 2HG2 THR 65 5.833 -7.445 -7.898 496 HG23 THR 65 3HG2 THR 65 5.241 -6.968 -9.489 497 H THR 66 H THR 66 7.573 -3.224 -8.928 498 HA THR 66 HA THR 66 6.546 -1.493 -6.867 499 HB THR 66 HB THR 66 6.532 0.218 -8.765 500 HG1 THR 66 1HG THR 66 8.236 -0.897 -10.378 501 HG21 THR 66 1HG2 THR 66 8.815 0.662 -8.502 502 HG22 THR 66 2HG2 THR 66 9.229 -1.049 -8.391 503 HG23 THR 66 3HG2 THR 66 8.398 -0.253 -7.054 504 H ARG 67 H ARG 67 4.959 -3.766 -8.281 505 HA ARG 67 HA ARG 67 2.495 -2.201 -8.509 506 HB2 ARG 67 1HB ARG 67 3.187 -4.376 -10.483 507 HB3 ARG 67 2HB ARG 67 1.808 -3.287 -10.527 508 HG2 ARG 67 1HG ARG 67 3.216 -1.419 -11.031 509 HG3 ARG 67 2HG ARG 67 4.668 -2.392 -10.789 510 HD2 ARG 67 1HD ARG 67 4.049 -3.796 -12.689 511 HD3 ARG 67 2HD ARG 67 2.583 -2.845 -12.921 512 HE ARG 67 HE ARG 67 3.836 -1.306 -14.039 513 HH11 ARG 67 2HH1 ARG 67 5.950 -3.198 -12.022 514 HH12 ARG 67 1HH1 ARG 67 7.398 -2.457 -12.620 515 HH21 ARG 67 2HH2 ARG 67 5.734 -0.322 -14.834 516 HH22 ARG 67 1HH2 ARG 67 7.274 -0.820 -14.218 517 H ALA 68 H ALA 68 1.055 -3.008 -7.147 518 HA ALA 68 HA ALA 68 0.841 -5.910 -6.828 519 HB1 ALA 68 1HB ALA 68 2.114 -5.554 -4.942 520 HB2 ALA 68 2HB ALA 68 1.440 -3.948 -4.660 521 HB3 ALA 68 3HB ALA 68 0.480 -5.383 -4.300 522 H THR 69 H THR 69 -1.195 -6.594 -5.888 523 HA THR 69 HA THR 69 -3.323 -4.567 -6.073 524 HB THR 69 HB THR 69 -3.454 -7.380 -7.178 525 HG1 THR 69 1HG THR 69 -3.408 -4.820 -8.431 526 HG21 THR 69 1HG2 THR 69 -5.672 -6.459 -8.098 527 HG22 THR 69 2HG2 THR 69 -5.521 -5.225 -6.846 528 HG23 THR 69 3HG2 THR 69 -5.617 -6.928 -6.399 529 H VAL 70 H VAL 70 -4.285 -4.392 -4.166 530 HA VAL 70 HA VAL 70 -4.122 -6.485 -2.193 531 HB VAL 70 HB VAL 70 -5.595 -3.848 -2.104 532 HG11 VAL 70 1HG1 VAL 70 -5.106 -5.976 -0.049 533 HG12 VAL 70 2HG1 VAL 70 -5.374 -4.295 0.417 534 HG13 VAL 70 3HG1 VAL 70 -6.616 -5.172 -0.477 535 HG21 VAL 70 1HG2 VAL 70 -3.348 -3.273 -2.252 536 HG22 VAL 70 2HG2 VAL 70 -3.625 -3.334 -0.511 537 HG23 VAL 70 3HG2 VAL 70 -2.825 -4.679 -1.324 538 H SER 71 H SER 71 -5.422 -8.191 -2.305 539 HA SER 71 HA SER 71 -8.205 -7.786 -3.185 540 HB2 SER 71 1HB SER 71 -6.450 -10.246 -3.326 541 HB3 SER 71 2HB SER 71 -8.172 -10.243 -3.705 542 HG SER 71 HG SER 71 -6.035 -9.281 -5.161 543 H GLY 72 H GLY 72 -9.834 -9.170 -2.154 544 HA2 GLY 72 1HA GLY 72 -10.757 -10.314 -0.348 545 HA3 GLY 72 2HA GLY 72 -9.170 -10.349 0.407 546 H LEU 73 H LEU 73 -10.945 -7.519 -0.753 547 HA LEU 73 HA LEU 73 -10.869 -6.464 1.990 548 HB2 LEU 73 1HB LEU 73 -11.200 -4.953 -0.595 549 HB3 LEU 73 2HB LEU 73 -10.996 -4.257 1.011 550 HG LEU 73 HG LEU 73 -8.890 -5.940 -0.332 551 HD11 LEU 73 1HD1 LEU 73 -7.941 -3.396 -0.403 552 HD12 LEU 73 2HD1 LEU 73 -9.647 -3.142 -0.768 553 HD13 LEU 73 3HD1 LEU 73 -8.684 -4.231 -1.767 554 HD21 LEU 73 1HD2 LEU 73 -7.444 -4.683 1.304 555 HD22 LEU 73 2HD2 LEU 73 -8.562 -5.847 2.014 556 HD23 LEU 73 3HD2 LEU 73 -8.932 -4.123 2.067 557 H LYS 74 H LYS 74 -12.689 -4.663 2.212 558 HA LYS 74 HA LYS 74 -15.214 -6.057 1.677 559 HB2 LYS 74 1HB LYS 74 -14.366 -4.041 3.740 560 HB3 LYS 74 2HB LYS 74 -16.068 -4.340 3.412 561 HG2 LYS 74 1HG LYS 74 -15.956 -6.535 4.193 562 HG3 LYS 74 2HG LYS 74 -14.195 -6.581 4.079 563 HD2 LYS 74 1HD LYS 74 -14.439 -6.298 6.337 564 HD3 LYS 74 2HD LYS 74 -14.377 -4.610 5.826 565 HE2 LYS 74 1HE LYS 74 -16.660 -4.310 6.105 566 HE3 LYS 74 2HE LYS 74 -17.001 -6.036 5.997 567 HZ1 LYS 74 1HZ LYS 74 -16.192 -6.389 8.160 568 HZ2 LYS 74 2HZ LYS 74 -17.168 -5.012 8.272 569 HZ3 LYS 74 3HZ LYS 74 -15.484 -4.854 8.249 570 HA PRO 75 HA PRO 75 -16.245 -3.019 -1.371 571 HB2 PRO 75 1HB PRO 75 -18.876 -3.647 -1.605 572 HB3 PRO 75 2HB PRO 75 -17.586 -4.639 -2.296 573 HG2 PRO 75 1HG PRO 75 -19.110 -5.019 0.253 574 HG3 PRO 75 2HG PRO 75 -18.647 -6.223 -0.964 575 HD2 PRO 75 1HD PRO 75 -17.287 -5.898 1.355 576 HD3 PRO 75 2HD PRO 75 -16.496 -6.400 -0.154 577 H GLY 76 H GLY 76 -17.716 -1.190 -1.659 578 HA2 GLY 76 1HA GLY 76 -18.466 0.825 -0.814 579 HA3 GLY 76 2HA GLY 76 -19.623 -0.213 0.007 580 H THR 77 H THR 77 -16.125 0.088 0.509 581 HA THR 77 HA THR 77 -16.583 1.381 3.085 582 HB THR 77 HB THR 77 -15.043 -1.212 2.850 583 HG1 THR 77 1HG THR 77 -17.122 -1.829 2.975 584 HG21 THR 77 1HG2 THR 77 -14.390 0.719 4.537 585 HG22 THR 77 2HG2 THR 77 -14.384 -0.974 5.033 586 HG23 THR 77 3HG2 THR 77 -15.750 0.062 5.447 587 H ARG 78 H ARG 78 -15.280 3.082 3.081 588 HA ARG 78 HA ARG 78 -13.108 3.443 1.346 589 HB2 ARG 78 1HB ARG 78 -14.204 4.870 3.707 590 HB3 ARG 78 2HB ARG 78 -12.543 5.236 3.260 591 HG2 ARG 78 1HG ARG 78 -13.479 5.598 0.894 592 HG3 ARG 78 2HG ARG 78 -15.052 5.673 1.691 593 HD2 ARG 78 1HD ARG 78 -13.930 7.397 3.246 594 HD3 ARG 78 2HD ARG 78 -12.693 7.497 1.993 595 HE ARG 78 HE ARG 78 -14.134 8.775 0.785 596 HH11 ARG 78 2HH1 ARG 78 -15.988 6.834 3.001 597 HH12 ARG 78 1HH1 ARG 78 -17.505 7.546 2.561 598 HH21 ARG 78 2HH2 ARG 78 -16.125 9.720 0.196 599 HH22 ARG 78 1HH2 ARG 78 -17.582 9.187 0.964 600 H TYR 79 H TYR 79 -10.952 3.103 1.524 601 HA TYR 79 HA TYR 79 -9.954 1.957 4.045 602 HB2 TYR 79 1HB TYR 79 -9.818 0.860 1.287 603 HB3 TYR 79 2HB TYR 79 -8.381 0.682 2.288 604 HD1 TYR 79 2HD TYR 79 -8.618 -0.475 4.535 605 HD2 TYR 79 1HD TYR 79 -11.670 -0.560 1.571 606 HE1 TYR 79 2HE TYR 79 -9.622 -2.433 5.633 607 HE2 TYR 79 1HE TYR 79 -12.683 -2.518 2.663 608 HH TYR 79 HH TYR 79 -12.735 -3.608 4.808 609 H VAL 80 H VAL 80 -7.656 2.193 4.387 610 HA VAL 80 HA VAL 80 -6.526 4.498 2.936 611 HB VAL 80 HB VAL 80 -6.100 3.745 5.831 612 HG11 VAL 80 1HG1 VAL 80 -4.243 4.910 4.326 613 HG12 VAL 80 2HG1 VAL 80 -5.197 6.341 4.720 614 HG13 VAL 80 3HG1 VAL 80 -4.506 5.356 6.011 615 HG21 VAL 80 1HG2 VAL 80 -8.324 4.803 5.096 616 HG22 VAL 80 2HG2 VAL 80 -7.450 5.552 6.432 617 HG23 VAL 80 3HG2 VAL 80 -7.376 6.264 4.821 618 H PHE 81 H PHE 81 -5.050 3.711 1.569 619 HA PHE 81 HA PHE 81 -3.409 1.430 2.324 620 HB2 PHE 81 1HB PHE 81 -3.623 3.001 -0.250 621 HB3 PHE 81 2HB PHE 81 -2.542 1.630 -0.020 622 HD1 PHE 81 1HD PHE 81 -3.478 -0.629 0.350 623 HD2 PHE 81 2HD PHE 81 -5.935 2.697 -0.658 624 HE1 PHE 81 1HE PHE 81 -5.288 -2.166 -0.295 625 HE2 PHE 81 2HE PHE 81 -7.749 1.166 -1.303 626 HZ PHE 81 HZ PHE 81 -7.427 -1.269 -1.122 627 H GLN 82 H GLN 82 -1.157 1.460 2.442 628 HA GLN 82 HA GLN 82 0.232 4.005 2.244 629 HB2 GLN 82 1HB GLN 82 -0.272 2.562 4.809 630 HB3 GLN 82 2HB GLN 82 1.270 3.379 4.590 631 HG2 GLN 82 1HG GLN 82 -0.234 5.397 3.892 632 HG3 GLN 82 2HG GLN 82 -1.470 4.524 4.796 633 HE21 GLN 82 1HE2 GLN 82 0.037 7.084 5.257 634 HE22 GLN 82 2HE2 GLN 82 0.653 6.937 6.864 635 H VAL 83 H VAL 83 1.824 3.463 0.901 636 HA VAL 83 HA VAL 83 3.070 0.832 1.086 637 HB VAL 83 HB VAL 83 3.541 3.046 -0.916 638 HG11 VAL 83 1HG1 VAL 83 4.203 0.329 -1.710 639 HG12 VAL 83 2HG1 VAL 83 5.155 1.809 -1.836 640 HG13 VAL 83 3HG1 VAL 83 5.154 0.885 -0.333 641 HG21 VAL 83 1HG2 VAL 83 2.119 1.867 -2.411 642 HG22 VAL 83 2HG2 VAL 83 1.994 0.492 -1.314 643 HG23 VAL 83 3HG2 VAL 83 1.238 2.029 -0.892 644 H ARG 84 H ARG 84 5.164 0.467 1.661 645 HA ARG 84 HA ARG 84 6.911 2.739 2.219 646 HB2 ARG 84 1HB ARG 84 7.423 2.005 4.464 647 HB3 ARG 84 2HB ARG 84 5.688 2.257 4.323 648 HG2 ARG 84 1HG ARG 84 5.682 0.275 5.424 649 HG3 ARG 84 2HG ARG 84 5.724 -0.328 3.766 650 HD2 ARG 84 1HD ARG 84 7.895 -1.012 3.924 651 HD3 ARG 84 2HD ARG 84 8.316 0.236 5.095 652 HE ARG 84 HE ARG 84 7.251 -2.396 5.653 653 HH11 ARG 84 2HH1 ARG 84 7.873 0.813 6.851 654 HH12 ARG 84 1HH1 ARG 84 7.837 0.340 8.517 655 HH21 ARG 84 2HH2 ARG 84 7.201 -3.032 7.843 656 HH22 ARG 84 1HH2 ARG 84 7.456 -1.848 9.080 657 H ALA 85 H ALA 85 9.075 2.290 2.023 658 HA ALA 85 HA ALA 85 9.715 -0.344 0.908 659 HB1 ALA 85 1HB ALA 85 10.610 2.369 0.390 660 HB2 ALA 85 2HB ALA 85 11.952 1.242 0.587 661 HB3 ALA 85 3HB ALA 85 10.710 0.931 -0.626 662 H ARG 86 H ARG 86 10.739 -1.793 2.110 663 HA ARG 86 HA ARG 86 12.217 -0.865 4.479 664 HB2 ARG 86 1HB ARG 86 10.323 -2.329 4.987 665 HB3 ARG 86 2HB ARG 86 10.971 -3.560 3.911 666 HG2 ARG 86 1HG ARG 86 12.884 -3.870 5.349 667 HG3 ARG 86 2HG ARG 86 12.343 -2.554 6.394 668 HD2 ARG 86 1HD ARG 86 10.215 -3.899 6.731 669 HD3 ARG 86 2HD ARG 86 11.065 -5.242 5.968 670 HE ARG 86 HE ARG 86 12.443 -4.027 8.200 671 HH11 ARG 86 2HH1 ARG 86 10.237 -6.504 7.142 672 HH12 ARG 86 1HH1 ARG 86 10.506 -7.516 8.522 673 HH21 ARG 86 2HH2 ARG 86 12.805 -5.350 10.022 674 HH22 ARG 86 1HH2 ARG 86 11.966 -6.858 10.161 675 H THR 87 H THR 87 14.352 -0.996 4.413 676 HA THR 87 HA THR 87 15.596 -2.803 2.453 677 HB THR 87 HB THR 87 17.630 -1.364 2.739 678 HG1 THR 87 1HG THR 87 17.493 0.478 3.922 679 HG21 THR 87 1HG2 THR 87 16.400 0.724 1.667 680 HG22 THR 87 2HG2 THR 87 15.046 -0.404 1.616 681 HG23 THR 87 3HG2 THR 87 16.555 -0.801 0.796 682 H SER 88 H SER 88 17.268 -4.167 3.047 683 HA SER 88 HA SER 88 17.213 -5.605 5.291 684 HB2 SER 88 1HB SER 88 18.791 -5.884 3.308 685 HB3 SER 88 2HB SER 88 19.881 -4.778 4.144 686 HG SER 88 HG SER 88 19.171 -7.400 4.769 687 H ALA 89 H ALA 89 18.971 -2.548 4.969 688 HA ALA 89 HA ALA 89 20.206 -2.482 7.459 689 HB1 ALA 89 1HB ALA 89 19.239 -0.313 5.627 690 HB2 ALA 89 2HB ALA 89 20.021 0.057 7.165 691 HB3 ALA 89 3HB ALA 89 20.890 -0.855 5.930 692 H GLY 90 H GLY 90 17.218 -0.717 6.602 693 HA2 GLY 90 1HA GLY 90 16.044 -1.457 9.164 694 HA3 GLY 90 2HA GLY 90 16.368 0.255 8.930 695 H CYS 91 H CYS 91 14.269 0.955 8.911 696 HA CYS 91 HA CYS 91 12.713 0.181 6.546 697 HB2 CYS 91 1HB CYS 91 10.668 0.053 7.796 698 HB3 CYS 91 2HB CYS 91 11.843 -0.992 8.586 699 HG CYS 91 HG CYS 91 10.572 1.969 9.673 700 H GLY 92 H GLY 92 11.050 1.779 5.960 701 HA2 GLY 92 1HA GLY 92 11.868 4.495 6.790 702 HA3 GLY 92 2HA GLY 92 11.375 4.089 5.153 703 H ARG 93 H ARG 93 10.210 6.168 6.592 704 HA ARG 93 HA ARG 93 7.859 5.480 7.961 705 HB2 ARG 93 1HB ARG 93 8.491 7.956 6.345 706 HB3 ARG 93 2HB ARG 93 7.129 7.795 7.445 707 HG2 ARG 93 1HG ARG 93 8.985 7.201 9.186 708 HG3 ARG 93 2HG ARG 93 10.033 8.050 8.047 709 HD2 ARG 93 1HD ARG 93 7.470 9.326 8.867 710 HD3 ARG 93 2HD ARG 93 8.817 9.326 10.004 711 HE ARG 93 HE ARG 93 9.446 10.259 7.338 712 HH11 ARG 93 2HH1 ARG 93 8.458 11.105 10.567 713 HH12 ARG 93 1HH1 ARG 93 8.981 12.751 10.436 714 HH21 ARG 93 2HH2 ARG 93 10.138 12.424 7.153 715 HH22 ARG 93 1HH2 ARG 93 9.935 13.501 8.493 716 H PHE 94 H PHE 94 5.704 5.368 7.303 717 HA PHE 94 HA PHE 94 5.272 4.157 4.767 718 HB2 PHE 94 1HB PHE 94 3.602 4.856 7.123 719 HB3 PHE 94 2HB PHE 94 2.764 4.634 5.590 720 HD1 PHE 94 1HD PHE 94 3.051 2.456 4.361 721 HD2 PHE 94 2HD PHE 94 4.327 3.023 8.382 722 HE1 PHE 94 1HE PHE 94 3.101 0.017 4.686 723 HE2 PHE 94 2HE PHE 94 4.380 0.586 8.713 724 HZ PHE 94 HZ PHE 94 3.767 -0.921 6.864 725 H SER 95 H SER 95 3.874 4.890 3.078 726 HA SER 95 HA SER 95 4.374 7.545 2.271 727 HB2 SER 95 1HB SER 95 2.872 7.049 0.386 728 HB3 SER 95 2HB SER 95 4.000 5.723 0.664 729 HG SER 95 HG SER 95 2.030 5.044 2.111 730 H GLN 96 H GLN 96 2.574 9.053 1.564 731 HA GLN 96 HA GLN 96 1.182 9.986 3.785 732 HB2 GLN 96 1HB GLN 96 1.108 10.549 0.867 733 HB3 GLN 96 2HB GLN 96 -0.244 11.124 1.833 734 HG2 GLN 96 1HG GLN 96 1.276 12.366 3.260 735 HG3 GLN 96 2HG GLN 96 2.653 11.757 2.344 736 HE21 GLN 96 1HE2 GLN 96 -0.421 13.451 1.833 737 HE22 GLN 96 2HE2 GLN 96 0.185 14.548 0.644 738 H ALA 97 H ALA 97 -0.942 9.864 4.460 739 HA ALA 97 HA ALA 97 -2.276 7.431 4.153 740 HB1 ALA 97 1HB ALA 97 -2.521 9.589 5.816 741 HB2 ALA 97 2HB ALA 97 -4.015 9.662 4.881 742 HB3 ALA 97 3HB ALA 97 -3.607 8.199 5.778 743 H MET 98 H MET 98 -2.882 6.768 2.165 744 HA MET 98 HA MET 98 -4.284 8.621 0.394 745 HB2 MET 98 1HB MET 98 -2.522 7.325 -0.633 746 HB3 MET 98 2HB MET 98 -3.227 5.825 -0.045 747 HG2 MET 98 1HG MET 98 -4.889 5.824 -1.613 748 HG3 MET 98 2HG MET 98 -4.868 7.577 -1.795 749 HE1 MET 98 1HE MET 98 -4.387 6.095 -5.171 750 HE2 MET 98 2HE MET 98 -3.865 4.605 -4.386 751 HE3 MET 98 3HE MET 98 -5.261 5.487 -3.765 752 H GLU 99 H GLU 99 -6.423 8.605 0.129 753 HA GLU 99 HA GLU 99 -7.963 6.501 1.466 754 HB2 GLU 99 1HB GLU 99 -8.843 9.199 0.422 755 HB3 GLU 99 2HB GLU 99 -9.865 8.059 1.285 756 HG2 GLU 99 1HG GLU 99 -8.702 8.368 3.297 757 HG3 GLU 99 2HG GLU 99 -7.348 9.156 2.489 758 H VAL 100 H VAL 100 -9.032 5.005 0.353 759 HA VAL 100 HA VAL 100 -9.815 5.545 -2.417 760 HB VAL 100 HB VAL 100 -8.294 3.077 -1.565 761 HG11 VAL 100 1HG1 VAL 100 -9.990 2.506 -3.184 762 HG12 VAL 100 2HG1 VAL 100 -9.491 3.841 -4.226 763 HG13 VAL 100 3HG1 VAL 100 -8.407 2.475 -3.960 764 HG21 VAL 100 1HG2 VAL 100 -7.041 5.289 -1.934 765 HG22 VAL 100 2HG2 VAL 100 -6.467 3.858 -2.791 766 HG23 VAL 100 3HG2 VAL 100 -7.434 5.065 -3.639 767 H GLU 101 H GLU 101 -11.793 4.804 -2.899 768 HA GLU 101 HA GLU 101 -13.129 3.111 -0.903 769 HB2 GLU 101 1HB GLU 101 -13.982 5.473 -1.642 770 HB3 GLU 101 2HB GLU 101 -14.590 4.609 -3.047 771 HG2 GLU 101 1HG GLU 101 -15.575 3.017 -1.174 772 HG3 GLU 101 2HG GLU 101 -15.465 4.495 -0.220 773 H THR 102 H THR 102 -13.930 1.160 -1.428 774 HA THR 102 HA THR 102 -13.246 0.063 -4.016 775 HB THR 102 HB THR 102 -14.100 -2.078 -3.079 776 HG1 THR 102 1HG THR 102 -14.522 -0.506 -0.735 777 HG21 THR 102 1HG2 THR 102 -11.848 -0.539 -2.166 778 HG22 THR 102 2HG2 THR 102 -11.973 -2.276 -2.445 779 HG23 THR 102 3HG2 THR 102 -12.422 -1.599 -0.880 780 H GLY 103 H GLY 103 -14.862 -1.341 -5.163 781 HA2 GLY 103 1HA GLY 103 -17.093 0.197 -5.940 782 HA3 GLY 103 2HA GLY 103 -16.800 -1.477 -6.385 783 H LYS 104 H LYS 104 -19.189 0.200 -5.368 784 HA LYS 104 HA LYS 104 -19.944 -0.975 -2.886 785 HB2 LYS 104 1HB LYS 104 -21.514 0.491 -5.007 786 HB3 LYS 104 2HB LYS 104 -22.232 -0.080 -3.506 787 HG2 LYS 104 1HG LYS 104 -20.366 1.273 -2.356 788 HG3 LYS 104 2HG LYS 104 -20.193 2.069 -3.922 789 HD2 LYS 104 1HD LYS 104 -22.692 2.503 -3.814 790 HD3 LYS 104 2HD LYS 104 -22.606 1.999 -2.124 791 HE2 LYS 104 1HE LYS 104 -22.444 4.370 -2.158 792 HE3 LYS 104 2HE LYS 104 -20.836 3.746 -1.794 793 HZ1 LYS 104 1HZ LYS 104 -20.197 4.097 -4.080 794 HZ2 LYS 104 2HZ LYS 104 -20.785 5.543 -3.429 795 HZ3 LYS 104 3HZ LYS 104 -21.752 4.632 -4.477 796 HA PRO 105 HA PRO 105 -21.500 -4.876 -4.183 797 HB2 PRO 105 1HB PRO 105 -23.392 -5.288 -2.281 798 HB3 PRO 105 2HB PRO 105 -21.659 -5.399 -1.952 799 HG2 PRO 105 1HG PRO 105 -23.546 -3.137 -1.421 800 HG3 PRO 105 2HG PRO 105 -22.267 -3.794 -0.383 801 HD2 PRO 105 1HD PRO 105 -21.941 -1.538 -1.846 802 HD3 PRO 105 2HD PRO 105 -20.603 -2.651 -1.497 803 H SER 106 H SER 106 -23.154 -2.058 -4.586 804 HA SER 106 HA SER 106 -25.521 -3.419 -5.694 805 HB2 SER 106 1HB SER 106 -25.284 -0.541 -4.786 806 HB3 SER 106 2HB SER 106 -26.743 -1.320 -5.398 807 HG SER 106 HG SER 106 -26.514 -2.798 -3.587 808 H GLY 107 H GLY 107 -26.351 -2.668 -7.709 809 HA2 GLY 107 1HA GLY 107 -25.526 -0.694 -9.357 810 HA3 GLY 107 2HA GLY 107 -24.249 -1.888 -9.538 811 HA PRO 108 HA PRO 108 -28.208 -2.822 -12.101 812 HB2 PRO 108 1HB PRO 108 -27.602 -1.570 -14.433 813 HB3 PRO 108 2HB PRO 108 -28.529 -0.798 -13.141 814 HG2 PRO 108 1HG PRO 108 -25.623 -0.531 -13.806 815 HG3 PRO 108 2HG PRO 108 -26.788 0.728 -13.359 816 HD2 PRO 108 1HD PRO 108 -25.012 -0.306 -11.596 817 HD3 PRO 108 2HD PRO 108 -26.624 0.257 -11.108 818 H SER 109 H SER 109 -27.883 -4.874 -12.676 819 HA SER 109 HA SER 109 -25.590 -6.177 -13.285 820 HB2 SER 109 1HB SER 109 -27.682 -7.371 -12.986 821 HB3 SER 109 2HB SER 109 -28.325 -6.687 -14.480 822 HG SER 109 HG SER 109 -25.917 -8.090 -14.621 823 H SER 110 H SER 110 -27.752 -4.687 -15.690 824 HA SER 110 HA SER 110 -26.226 -5.291 -17.953 825 HB2 SER 110 1HB SER 110 -28.615 -4.360 -17.830 826 HB3 SER 110 2HB SER 110 -27.862 -2.772 -17.678 827 HG SER 110 HG SER 110 -28.251 -4.254 -19.884 828 H GLY 111 H GLY 111 -26.415 -2.147 -16.264 829 HA2 GLY 111 1HA GLY 111 -24.398 -0.987 -15.599 830 HA3 GLY 111 2HA GLY 111 -23.584 -1.720 -16.973 Start of MODEL 5 1 H1 GLY 1 H GLY 1 37.755 7.672 14.570 2 HA2 GLY 1 1HA GLY 1 39.842 9.213 13.359 3 HA3 GLY 1 2HA GLY 1 40.288 8.655 14.964 4 H SER 2 H SER 2 39.963 6.264 15.341 5 HA SER 2 HA SER 2 41.298 4.846 13.222 6 HB2 SER 2 1HB SER 2 41.840 4.508 15.637 7 HB3 SER 2 2HB SER 2 40.253 3.768 15.851 8 HG SER 2 HG SER 2 41.914 2.785 13.828 9 H SER 3 H SER 3 38.250 4.324 15.001 10 HA SER 3 HA SER 3 36.883 3.551 12.595 11 HB2 SER 3 1HB SER 3 38.216 1.489 13.453 12 HB3 SER 3 2HB SER 3 36.986 1.422 14.715 13 HG SER 3 HG SER 3 35.702 0.553 13.313 14 H GLY 4 H GLY 4 34.591 3.145 12.958 15 HA2 GLY 4 1HA GLY 4 32.897 3.015 14.859 16 HA3 GLY 4 2HA GLY 4 33.664 4.497 15.411 17 H SER 5 H SER 5 32.675 3.396 12.174 18 HA SER 5 HA SER 5 31.164 5.906 11.900 19 HB2 SER 5 1HB SER 5 32.288 4.107 9.738 20 HB3 SER 5 2HB SER 5 31.433 5.626 9.472 21 HG SER 5 HG SER 5 33.323 6.224 11.142 22 H SER 6 H SER 6 29.183 5.818 10.605 23 HA SER 6 HA SER 6 27.494 3.685 11.483 24 HB2 SER 6 1HB SER 6 26.535 5.880 11.360 25 HB3 SER 6 2HB SER 6 27.009 6.057 9.671 26 HG SER 6 HG SER 6 25.036 4.344 10.763 27 H GLY 7 H GLY 7 26.102 2.423 10.028 28 HA2 GLY 7 1HA GLY 7 27.699 1.241 7.919 29 HA3 GLY 7 2HA GLY 7 26.153 0.655 8.514 30 H GLN 8 H GLN 8 24.220 1.564 7.692 31 HA GLN 8 HA GLN 8 24.567 3.117 5.215 32 HB2 GLN 8 1HB GLN 8 22.569 0.894 5.667 33 HB3 GLN 8 2HB GLN 8 22.749 1.843 4.197 34 HG2 GLN 8 1HG GLN 8 24.716 0.801 3.603 35 HG3 GLN 8 2HG GLN 8 25.070 0.298 5.255 36 HE21 GLN 8 1HE2 GLN 8 25.022 -1.276 2.811 37 HE22 GLN 8 2HE2 GLN 8 23.872 -2.539 3.071 38 H ALA 9 H ALA 9 22.234 3.894 4.487 39 HA ALA 9 HA ALA 9 20.944 5.068 6.865 40 HB1 ALA 9 1HB ALA 9 20.388 6.758 4.725 41 HB2 ALA 9 2HB ALA 9 21.521 7.052 6.045 42 HB3 ALA 9 3HB ALA 9 22.090 6.335 4.537 43 H ALA 10 H ALA 10 18.710 5.243 6.879 44 HA ALA 10 HA ALA 10 17.239 3.238 5.623 45 HB1 ALA 10 1HB ALA 10 15.253 4.811 6.277 46 HB2 ALA 10 2HB ALA 10 16.221 4.026 7.525 47 HB3 ALA 10 3HB ALA 10 16.515 5.715 7.114 48 HA PRO 11 HA PRO 11 16.375 4.742 1.584 49 HB2 PRO 11 1HB PRO 11 13.985 3.540 1.128 50 HB3 PRO 11 2HB PRO 11 15.517 2.658 1.141 51 HG2 PRO 11 1HG PRO 11 13.455 2.904 3.297 52 HG3 PRO 11 2HG PRO 11 14.352 1.470 2.765 53 HD2 PRO 11 1HD PRO 11 15.032 2.876 4.977 54 HD3 PRO 11 2HD PRO 11 16.233 2.045 3.967 55 H SER 12 H SER 12 14.666 5.873 0.301 56 HA SER 12 HA SER 12 13.519 7.991 1.907 57 HB2 SER 12 1HB SER 12 14.066 7.555 -0.986 58 HB3 SER 12 2HB SER 12 12.762 8.667 -0.569 59 HG SER 12 HG SER 12 14.495 9.538 0.955 60 H GLN 13 H GLN 13 11.514 7.971 2.654 61 HA GLN 13 HA GLN 13 9.674 5.939 2.258 62 HB2 GLN 13 1HB GLN 13 9.549 7.475 4.147 63 HB3 GLN 13 2HB GLN 13 9.162 8.807 3.065 64 HG2 GLN 13 1HG GLN 13 7.164 7.229 2.392 65 HG3 GLN 13 2HG GLN 13 7.462 6.558 3.995 66 HE21 GLN 13 1HE2 GLN 13 6.124 9.124 2.202 67 HE22 GLN 13 2HE2 GLN 13 5.585 10.084 3.533 68 H VAL 14 H VAL 14 8.410 5.399 0.614 69 HA VAL 14 HA VAL 14 8.351 6.729 -1.829 70 HB VAL 14 HB VAL 14 6.372 4.759 -0.681 71 HG11 VAL 14 1HG1 VAL 14 5.476 4.461 -2.866 72 HG12 VAL 14 2HG1 VAL 14 5.445 6.192 -2.524 73 HG13 VAL 14 3HG1 VAL 14 6.692 5.522 -3.577 74 HG21 VAL 14 1HG2 VAL 14 8.966 4.550 -2.063 75 HG22 VAL 14 2HG2 VAL 14 8.195 3.449 -0.922 76 HG23 VAL 14 3HG2 VAL 14 7.709 3.444 -2.617 77 H VAL 15 H VAL 15 7.374 8.525 -2.472 78 HA VAL 15 HA VAL 15 4.995 9.442 -0.989 79 HB VAL 15 HB VAL 15 5.650 11.752 -1.724 80 HG11 VAL 15 1HG1 VAL 15 7.227 10.099 0.189 81 HG12 VAL 15 2HG1 VAL 15 7.715 11.769 -0.104 82 HG13 VAL 15 3HG1 VAL 15 6.097 11.415 0.503 83 HG21 VAL 15 1HG2 VAL 15 8.425 11.377 -2.035 84 HG22 VAL 15 2HG2 VAL 15 7.634 10.269 -3.155 85 HG23 VAL 15 3HG2 VAL 15 7.274 11.994 -3.221 86 H VAL 16 H VAL 16 5.571 7.851 -3.617 87 HA VAL 16 HA VAL 16 3.666 9.391 -5.256 88 HB VAL 16 HB VAL 16 5.763 9.544 -6.390 89 HG11 VAL 16 1HG1 VAL 16 6.048 6.565 -6.491 90 HG12 VAL 16 2HG1 VAL 16 7.268 7.812 -6.751 91 HG13 VAL 16 3HG1 VAL 16 6.674 7.485 -5.123 92 HG21 VAL 16 1HG2 VAL 16 4.464 9.283 -8.191 93 HG22 VAL 16 2HG2 VAL 16 5.141 7.658 -8.290 94 HG23 VAL 16 3HG2 VAL 16 3.598 7.922 -7.477 95 H ILE 17 H ILE 17 1.792 8.339 -5.171 96 HA ILE 17 HA ILE 17 1.764 5.483 -5.804 97 HB ILE 17 HB ILE 17 0.491 6.719 -3.373 98 HG12 ILE 17 1HG1 ILE 17 2.132 4.201 -3.707 99 HG13 ILE 17 2HG1 ILE 17 2.800 5.760 -3.233 100 HG21 ILE 17 1HG2 ILE 17 -0.476 4.281 -3.193 101 HG22 ILE 17 2HG2 ILE 17 -1.331 5.533 -4.090 102 HG23 ILE 17 3HG2 ILE 17 -0.357 4.342 -4.951 103 HD11 ILE 17 1HD1 ILE 17 1.232 5.711 -1.273 104 HD12 ILE 17 2HD1 ILE 17 0.869 4.040 -1.708 105 HD13 ILE 17 3HD1 ILE 17 2.512 4.498 -1.260 106 H ARG 18 H ARG 18 -0.048 4.790 -6.905 107 HA ARG 18 HA ARG 18 -2.195 6.720 -7.385 108 HB2 ARG 18 1HB ARG 18 -0.874 5.249 -9.663 109 HB3 ARG 18 2HB ARG 18 -2.071 6.533 -9.757 110 HG2 ARG 18 1HG ARG 18 -0.534 8.184 -9.249 111 HG3 ARG 18 2HG ARG 18 0.586 7.048 -8.494 112 HD2 ARG 18 1HD ARG 18 1.659 7.425 -10.481 113 HD3 ARG 18 2HD ARG 18 0.673 6.028 -10.913 114 HE ARG 18 HE ARG 18 0.360 8.748 -11.856 115 HH11 ARG 18 2HH1 ARG 18 -1.061 5.586 -11.531 116 HH12 ARG 18 1HH1 ARG 18 -2.198 5.822 -12.816 117 HH21 ARG 18 2HH2 ARG 18 -1.133 9.071 -13.550 118 HH22 ARG 18 1HH2 ARG 18 -2.238 7.804 -13.964 119 H GLN 19 H GLN 19 -3.995 5.654 -8.698 120 HA GLN 19 HA GLN 19 -4.277 2.851 -7.835 121 HB2 GLN 19 1HB GLN 19 -5.770 4.278 -6.569 122 HB3 GLN 19 2HB GLN 19 -6.385 5.005 -8.047 123 HG2 GLN 19 1HG GLN 19 -7.292 2.809 -8.710 124 HG3 GLN 19 2HG GLN 19 -6.745 2.149 -7.169 125 HE21 GLN 19 1HE2 GLN 19 -8.648 4.860 -8.440 126 HE22 GLN 19 2HE2 GLN 19 -9.872 4.795 -7.223 127 H GLU 20 H GLU 20 -3.923 1.652 -9.604 128 HA GLU 20 HA GLU 20 -4.447 2.472 -12.250 129 HB2 GLU 20 1HB GLU 20 -3.683 -0.070 -10.915 130 HB3 GLU 20 2HB GLU 20 -4.370 -0.192 -12.529 131 HG2 GLU 20 1HG GLU 20 -2.176 1.757 -12.065 132 HG3 GLU 20 2HG GLU 20 -1.783 0.041 -12.151 133 H ARG 21 H ARG 21 -6.037 -0.205 -10.510 134 HA ARG 21 HA ARG 21 -8.591 0.632 -11.701 135 HB2 ARG 21 1HB ARG 21 -7.681 -2.243 -11.516 136 HB3 ARG 21 2HB ARG 21 -9.156 -1.642 -12.261 137 HG2 ARG 21 1HG ARG 21 -7.738 -0.421 -13.910 138 HG3 ARG 21 2HG ARG 21 -6.335 -1.240 -13.221 139 HD2 ARG 21 1HD ARG 21 -7.299 -2.311 -15.278 140 HD3 ARG 21 2HD ARG 21 -7.151 -3.371 -13.877 141 HE ARG 21 HE ARG 21 -9.603 -2.431 -15.108 142 HH11 ARG 21 2HH1 ARG 21 -8.094 -3.971 -12.375 143 HH12 ARG 21 1HH1 ARG 21 -9.555 -4.729 -11.830 144 HH21 ARG 21 2HH2 ARG 21 -11.532 -3.422 -14.401 145 HH22 ARG 21 1HH2 ARG 21 -11.509 -4.416 -12.984 146 H ALA 22 H ALA 22 -10.314 0.541 -10.366 147 HA ALA 22 HA ALA 22 -9.892 -0.652 -7.702 148 HB1 ALA 22 1HB ALA 22 -11.049 1.956 -8.525 149 HB2 ALA 22 2HB ALA 22 -11.748 1.145 -7.123 150 HB3 ALA 22 3HB ALA 22 -10.033 1.553 -7.142 151 H GLY 23 H GLY 23 -10.943 -2.561 -7.799 152 HA2 GLY 23 1HA GLY 23 -13.498 -2.771 -9.173 153 HA3 GLY 23 2HA GLY 23 -12.601 -4.086 -8.427 154 H GLN 24 H GLN 24 -14.499 -4.860 -7.431 155 HA GLN 24 HA GLN 24 -15.854 -3.145 -5.519 156 HB2 GLN 24 1HB GLN 24 -16.858 -5.027 -7.090 157 HB3 GLN 24 2HB GLN 24 -16.431 -6.064 -5.735 158 HG2 GLN 24 1HG GLN 24 -17.710 -4.264 -4.339 159 HG3 GLN 24 2HG GLN 24 -18.453 -3.886 -5.893 160 HE21 GLN 24 1HE2 GLN 24 -18.159 -6.201 -3.342 161 HE22 GLN 24 2HE2 GLN 24 -19.435 -7.245 -3.858 162 H THR 25 H THR 25 -14.086 -6.236 -5.450 163 HA THR 25 HA THR 25 -13.527 -5.740 -2.598 164 HB THR 25 HB THR 25 -13.335 -8.166 -2.291 165 HG1 THR 25 1HG THR 25 -13.895 -9.552 -4.003 166 HG21 THR 25 1HG2 THR 25 -15.686 -8.727 -2.459 167 HG22 THR 25 2HG2 THR 25 -15.942 -7.430 -3.626 168 HG23 THR 25 3HG2 THR 25 -15.518 -7.045 -1.958 169 H SER 26 H SER 26 -12.067 -5.108 -5.230 170 HA SER 26 HA SER 26 -9.441 -5.894 -4.250 171 HB2 SER 26 1HB SER 26 -8.746 -6.594 -6.571 172 HB3 SER 26 2HB SER 26 -9.870 -7.696 -5.776 173 HG SER 26 HG SER 26 -11.459 -6.145 -6.985 174 H VAL 27 H VAL 27 -7.841 -4.441 -4.730 175 HA VAL 27 HA VAL 27 -8.413 -2.273 -6.604 176 HB VAL 27 HB VAL 27 -7.686 -1.808 -3.709 177 HG11 VAL 27 1HG1 VAL 27 -7.964 0.640 -4.476 178 HG12 VAL 27 2HG1 VAL 27 -6.454 -0.195 -4.844 179 HG13 VAL 27 3HG1 VAL 27 -7.682 0.002 -6.096 180 HG21 VAL 27 1HG2 VAL 27 -9.961 -2.024 -3.635 181 HG22 VAL 27 2HG2 VAL 27 -9.840 -0.314 -4.047 182 HG23 VAL 27 3HG2 VAL 27 -10.177 -1.503 -5.306 183 H SER 28 H SER 28 -6.648 -1.567 -7.671 184 HA SER 28 HA SER 28 -4.091 -2.822 -6.982 185 HB2 SER 28 1HB SER 28 -4.835 -3.216 -9.258 186 HB3 SER 28 2HB SER 28 -5.032 -1.484 -9.529 187 HG SER 28 HG SER 28 -2.674 -1.426 -8.960 188 H LEU 29 H LEU 29 -2.127 -1.586 -7.073 189 HA LEU 29 HA LEU 29 -2.452 1.314 -6.779 190 HB2 LEU 29 1HB LEU 29 -0.843 -0.406 -4.899 191 HB3 LEU 29 2HB LEU 29 -1.012 1.347 -4.829 192 HG LEU 29 HG LEU 29 -3.283 -0.596 -4.427 193 HD11 LEU 29 1HD1 LEU 29 -1.638 0.889 -2.384 194 HD12 LEU 29 2HD1 LEU 29 -1.629 -0.853 -2.660 195 HD13 LEU 29 3HD1 LEU 29 -3.084 -0.065 -2.051 196 HD21 LEU 29 1HD2 LEU 29 -4.265 1.398 -5.060 197 HD22 LEU 29 2HD2 LEU 29 -3.003 2.378 -4.314 198 HD23 LEU 29 3HD2 LEU 29 -4.197 1.560 -3.305 199 H LEU 30 H LEU 30 -0.785 2.528 -7.561 200 HA LEU 30 HA LEU 30 1.499 1.051 -8.697 201 HB2 LEU 30 1HB LEU 30 -0.254 3.155 -9.843 202 HB3 LEU 30 2HB LEU 30 1.454 3.187 -10.275 203 HG LEU 30 HG LEU 30 -0.634 1.153 -10.950 204 HD11 LEU 30 1HD1 LEU 30 -0.453 2.487 -12.765 205 HD12 LEU 30 2HD1 LEU 30 0.914 1.430 -13.115 206 HD13 LEU 30 3HD1 LEU 30 1.185 3.003 -12.363 207 HD21 LEU 30 1HD2 LEU 30 1.474 -0.120 -11.868 208 HD22 LEU 30 2HD2 LEU 30 0.906 -0.377 -10.218 209 HD23 LEU 30 3HD2 LEU 30 2.277 0.690 -10.522 210 H TRP 31 H TRP 31 3.437 1.649 -7.992 211 HA TRP 31 HA TRP 31 3.897 4.397 -7.130 212 HB2 TRP 31 1HB TRP 31 4.817 3.778 -4.992 213 HB3 TRP 31 2HB TRP 31 3.195 3.101 -5.109 214 HD1 TRP 31 HD TRP 31 6.865 2.076 -4.937 215 HE1 TRP 31 1HE TRP 31 6.999 -0.455 -4.488 216 HE3 TRP 31 3HE TRP 31 1.920 0.893 -5.470 217 HZ2 TRP 31 2HZ TRP 31 5.242 -2.661 -4.375 218 HZ3 TRP 31 3HZ TRP 31 1.230 -1.450 -5.176 219 HH2 TRP 31 HH TRP 31 2.858 -3.189 -4.641 220 H GLN 32 H GLN 32 5.847 5.118 -7.735 221 HA GLN 32 HA GLN 32 7.673 3.217 -8.988 222 HB2 GLN 32 1HB GLN 32 8.651 5.068 -10.101 223 HB3 GLN 32 2HB GLN 32 6.914 5.338 -10.143 224 HG2 GLN 32 1HG GLN 32 7.014 7.050 -8.580 225 HG3 GLN 32 2HG GLN 32 8.596 6.548 -7.988 226 HE21 GLN 32 1HE2 GLN 32 10.437 6.954 -9.306 227 HE22 GLN 32 2HE2 GLN 32 10.422 8.238 -10.462 228 H GLU 33 H GLU 33 10.037 3.565 -8.671 229 HA GLU 33 HA GLU 33 10.775 3.198 -6.023 230 HB2 GLU 33 1HB GLU 33 12.199 3.698 -8.563 231 HB3 GLU 33 2HB GLU 33 13.100 4.080 -7.103 232 HG2 GLU 33 1HG GLU 33 12.925 1.852 -6.308 233 HG3 GLU 33 2HG GLU 33 11.757 1.432 -7.559 234 HA PRO 34 HA PRO 34 10.884 7.212 -4.231 235 HB2 PRO 34 1HB PRO 34 12.740 6.795 -2.294 236 HB3 PRO 34 2HB PRO 34 11.099 6.144 -2.208 237 HG2 PRO 34 1HG PRO 34 13.632 4.787 -3.045 238 HG3 PRO 34 2HG PRO 34 12.325 4.178 -2.014 239 HD2 PRO 34 1HD PRO 34 12.562 3.493 -4.623 240 HD3 PRO 34 2HD PRO 34 10.989 3.636 -3.812 241 H GLU 35 H GLU 35 12.205 9.078 -3.979 242 HA GLU 35 HA GLU 35 13.961 9.651 -6.001 243 HB2 GLU 35 1HB GLU 35 13.872 10.841 -3.225 244 HB3 GLU 35 2HB GLU 35 14.763 11.537 -4.571 245 HG2 GLU 35 1HG GLU 35 12.452 11.459 -5.772 246 HG3 GLU 35 2HG GLU 35 11.822 11.374 -4.128 247 H GLN 36 H GLN 36 14.871 8.817 -2.656 248 HA GLN 36 HA GLN 36 17.423 7.797 -3.706 249 HB2 GLN 36 1HB GLN 36 16.946 9.657 -1.403 250 HB3 GLN 36 2HB GLN 36 18.336 8.581 -1.392 251 HG2 GLN 36 1HG GLN 36 18.727 9.594 -3.784 252 HG3 GLN 36 2HG GLN 36 17.755 10.914 -3.136 253 HE21 GLN 36 1HE2 GLN 36 19.834 12.045 -3.570 254 HE22 GLN 36 2HE2 GLN 36 21.010 12.068 -2.305 255 HA PRO 37 HA PRO 37 15.639 4.284 -1.500 256 HB2 PRO 37 1HB PRO 37 17.271 2.452 -2.661 257 HB3 PRO 37 2HB PRO 37 15.829 3.094 -3.456 258 HG2 PRO 37 1HG PRO 37 18.695 3.881 -3.811 259 HG3 PRO 37 2HG PRO 37 17.441 3.639 -5.041 260 HD2 PRO 37 1HD PRO 37 18.169 6.096 -4.167 261 HD3 PRO 37 2HD PRO 37 16.514 5.719 -4.685 262 H ASN 38 H ASN 38 18.997 5.262 -1.788 263 HA ASN 38 HA ASN 38 20.811 5.000 -0.436 264 HB2 ASN 38 1HB ASN 38 18.551 5.047 1.559 265 HB3 ASN 38 2HB ASN 38 20.237 4.968 2.062 266 HD21 ASN 38 1HD2 ASN 38 18.852 7.044 2.937 267 HD22 ASN 38 2HD2 ASN 38 19.284 8.494 2.103 268 H GLY 39 H GLY 39 20.093 2.652 -1.680 269 HA2 GLY 39 1HA GLY 39 21.487 0.642 -0.942 270 HA3 GLY 39 2HA GLY 39 20.379 0.604 0.423 271 H ILE 40 H ILE 40 20.241 -1.660 -0.597 272 HA ILE 40 HA ILE 40 18.499 -1.804 -2.916 273 HB ILE 40 HB ILE 40 19.732 -3.958 -1.201 274 HG12 ILE 40 1HG1 ILE 40 20.740 -4.368 -3.637 275 HG13 ILE 40 2HG1 ILE 40 20.413 -2.646 -3.788 276 HG21 ILE 40 1HG2 ILE 40 18.934 -5.471 -3.079 277 HG22 ILE 40 2HG2 ILE 40 17.709 -4.893 -1.951 278 HG23 ILE 40 3HG2 ILE 40 17.862 -4.151 -3.543 279 HD11 ILE 40 1HD1 ILE 40 22.351 -4.064 -2.038 280 HD12 ILE 40 2HD1 ILE 40 22.564 -2.619 -3.027 281 HD13 ILE 40 3HD1 ILE 40 21.682 -2.522 -1.503 282 H ILE 41 H ILE 41 16.359 -1.877 -2.805 283 HA ILE 41 HA ILE 41 15.048 -2.072 -0.233 284 HB ILE 41 HB ILE 41 13.883 -1.686 -2.992 285 HG12 ILE 41 1HG1 ILE 41 13.935 0.433 -0.891 286 HG13 ILE 41 2HG1 ILE 41 15.423 0.096 -1.768 287 HG21 ILE 41 1HG2 ILE 41 11.922 -2.154 -2.056 288 HG22 ILE 41 2HG2 ILE 41 12.652 -2.280 -0.457 289 HG23 ILE 41 3HG2 ILE 41 12.121 -0.711 -1.063 290 HD11 ILE 41 1HD1 ILE 41 14.721 1.360 -3.434 291 HD12 ILE 41 2HD1 ILE 41 13.324 0.306 -3.657 292 HD13 ILE 41 3HD1 ILE 41 13.223 1.684 -2.561 293 H LEU 42 H LEU 42 14.842 -4.067 0.578 294 HA LEU 42 HA LEU 42 14.797 -6.468 -0.788 295 HB2 LEU 42 1HB LEU 42 13.315 -5.911 1.774 296 HB3 LEU 42 2HB LEU 42 13.927 -7.466 1.213 297 HG LEU 42 HG LEU 42 15.812 -5.204 1.762 298 HD11 LEU 42 1HD1 LEU 42 15.531 -5.281 3.960 299 HD12 LEU 42 2HD1 LEU 42 15.617 -7.042 3.964 300 HD13 LEU 42 3HD1 LEU 42 14.073 -6.236 3.690 301 HD21 LEU 42 1HD2 LEU 42 17.397 -6.960 2.090 302 HD22 LEU 42 2HD2 LEU 42 16.539 -7.283 0.583 303 HD23 LEU 42 3HD2 LEU 42 16.131 -8.187 2.042 304 H GLU 43 H GLU 43 11.939 -4.829 0.593 305 HA GLU 43 HA GLU 43 10.368 -5.438 -1.741 306 HB2 GLU 43 1HB GLU 43 8.656 -6.743 -0.504 307 HB3 GLU 43 2HB GLU 43 10.195 -7.580 -0.646 308 HG2 GLU 43 1HG GLU 43 10.743 -6.801 1.660 309 HG3 GLU 43 2HG GLU 43 9.097 -6.183 1.779 310 H TYR 44 H TYR 44 8.200 -4.518 -1.622 311 HA TYR 44 HA TYR 44 8.189 -2.132 0.069 312 HB2 TYR 44 1HB TYR 44 6.784 -2.893 -2.475 313 HB3 TYR 44 2HB TYR 44 6.190 -1.560 -1.491 314 HD1 TYR 44 2HD TYR 44 7.531 0.476 -1.216 315 HD2 TYR 44 1HD TYR 44 8.830 -2.700 -3.732 316 HE1 TYR 44 2HE TYR 44 9.161 1.986 -2.270 317 HE2 TYR 44 1HE TYR 44 10.464 -1.198 -4.793 318 HH TYR 44 HH TYR 44 11.567 0.815 -4.514 319 H GLU 45 H GLU 45 7.130 -2.243 1.926 320 HA GLU 45 HA GLU 45 5.064 -4.221 2.354 321 HB2 GLU 45 1HB GLU 45 6.924 -3.301 4.008 322 HB3 GLU 45 2HB GLU 45 5.679 -2.114 4.373 323 HG2 GLU 45 1HG GLU 45 5.156 -3.665 5.932 324 HG3 GLU 45 2HG GLU 45 4.188 -4.287 4.597 325 H ILE 46 H ILE 46 3.013 -3.868 1.857 326 HA ILE 46 HA ILE 46 2.034 -1.103 1.717 327 HB ILE 46 HB ILE 46 0.874 -3.636 0.551 328 HG12 ILE 46 1HG1 ILE 46 1.764 -1.303 -1.081 329 HG13 ILE 46 2HG1 ILE 46 3.001 -2.359 -0.407 330 HG21 ILE 46 1HG2 ILE 46 -0.954 -2.230 1.092 331 HG22 ILE 46 2HG2 ILE 46 -0.111 -0.794 0.511 332 HG23 ILE 46 3HG2 ILE 46 -0.657 -2.019 -0.634 333 HD11 ILE 46 1HD1 ILE 46 0.718 -3.270 -2.140 334 HD12 ILE 46 2HD1 ILE 46 2.363 -2.964 -2.698 335 HD13 ILE 46 3HD1 ILE 46 2.050 -4.259 -1.542 336 H LYS 47 H LYS 47 0.831 -0.369 3.326 337 HA LYS 47 HA LYS 47 -0.481 -2.289 5.116 338 HB2 LYS 47 1HB LYS 47 1.008 -0.751 6.237 339 HB3 LYS 47 2HB LYS 47 0.224 0.628 5.477 340 HG2 LYS 47 1HG LYS 47 -1.747 0.325 6.757 341 HG3 LYS 47 2HG LYS 47 -1.204 -1.250 7.340 342 HD2 LYS 47 1HD LYS 47 0.457 -0.283 8.708 343 HD3 LYS 47 2HD LYS 47 0.317 1.283 7.905 344 HE2 LYS 47 1HE LYS 47 -1.817 1.680 8.882 345 HE3 LYS 47 2HE LYS 47 -1.923 0.023 9.475 346 HZ1 LYS 47 1HZ LYS 47 -1.300 1.775 11.152 347 HZ2 LYS 47 2HZ LYS 47 0.193 1.892 10.366 348 HZ3 LYS 47 3HZ LYS 47 -0.276 0.431 11.077 349 H TYR 48 H TYR 48 -2.555 -2.671 4.742 350 HA TYR 48 HA TYR 48 -4.256 -0.439 3.847 351 HB2 TYR 48 1HB TYR 48 -5.533 -1.955 2.467 352 HB3 TYR 48 2HB TYR 48 -3.834 -2.091 2.030 353 HD1 TYR 48 1HD TYR 48 -2.530 -4.082 2.760 354 HD2 TYR 48 2HD TYR 48 -6.737 -3.816 3.337 355 HE1 TYR 48 1HE TYR 48 -2.629 -6.514 3.115 356 HE2 TYR 48 2HE TYR 48 -6.848 -6.246 3.696 357 HH TYR 48 HH TYR 48 -5.667 -8.212 3.360 358 H TYR 49 H TYR 49 -5.888 0.005 5.166 359 HA TYR 49 HA TYR 49 -7.099 -2.126 6.756 360 HB2 TYR 49 1HB TYR 49 -6.952 -0.873 8.823 361 HB3 TYR 49 2HB TYR 49 -5.334 -1.092 8.167 362 HD1 TYR 49 1HD TYR 49 -8.131 1.387 8.026 363 HD2 TYR 49 2HD TYR 49 -3.929 0.736 8.166 364 HE1 TYR 49 1HE TYR 49 -7.764 3.817 8.140 365 HE2 TYR 49 2HE TYR 49 -3.551 3.164 8.281 366 HH TYR 49 HH TYR 49 -4.504 5.186 8.092 367 H GLU 50 H GLU 50 -9.169 -1.503 7.698 368 HA GLU 50 HA GLU 50 -10.755 -0.036 5.851 369 HB2 GLU 50 1HB GLU 50 -11.214 -1.576 8.331 370 HB3 GLU 50 2HB GLU 50 -12.399 -0.324 7.985 371 HG2 GLU 50 1HG GLU 50 -13.144 -1.360 6.078 372 HG3 GLU 50 2HG GLU 50 -11.634 -2.234 5.833 373 H LYS 51 H LYS 51 -11.007 2.084 5.742 374 HA LYS 51 HA LYS 51 -9.867 3.986 7.329 375 HB2 LYS 51 1HB LYS 51 -10.773 4.701 5.275 376 HB3 LYS 51 2HB LYS 51 -12.368 4.068 5.659 377 HG2 LYS 51 1HG LYS 51 -12.492 6.427 5.810 378 HG3 LYS 51 2HG LYS 51 -12.524 5.801 7.460 379 HD2 LYS 51 1HD LYS 51 -10.332 6.485 7.888 380 HD3 LYS 51 2HD LYS 51 -9.948 6.643 6.173 381 HE2 LYS 51 1HE LYS 51 -10.194 8.847 6.774 382 HE3 LYS 51 2HE LYS 51 -11.826 8.463 6.227 383 HZ1 LYS 51 1HZ LYS 51 -12.070 9.584 8.257 384 HZ2 LYS 51 2HZ LYS 51 -10.846 8.694 9.010 385 HZ3 LYS 51 3HZ LYS 51 -12.319 7.953 8.632 386 H ASP 52 H ASP 52 -13.173 2.715 7.651 387 HA ASP 52 HA ASP 52 -13.823 4.264 9.935 388 HB2 ASP 52 1HB ASP 52 -15.380 2.989 8.285 389 HB3 ASP 52 2HB ASP 52 -15.095 1.609 9.342 390 H LYS 53 H LYS 53 -12.695 0.924 9.534 391 HA LYS 53 HA LYS 53 -12.502 0.578 12.414 392 HB2 LYS 53 1HB LYS 53 -11.668 -1.345 10.239 393 HB3 LYS 53 2HB LYS 53 -11.939 -1.715 11.937 394 HG2 LYS 53 1HG LYS 53 -14.161 -0.602 10.283 395 HG3 LYS 53 2HG LYS 53 -13.747 -2.314 10.180 396 HD2 LYS 53 1HD LYS 53 -14.081 -2.559 12.577 397 HD3 LYS 53 2HD LYS 53 -14.429 -0.834 12.722 398 HE2 LYS 53 1HE LYS 53 -16.503 -2.049 12.710 399 HE3 LYS 53 2HE LYS 53 -16.362 -1.148 11.201 400 HZ1 LYS 53 1HZ LYS 53 -15.760 -3.125 10.048 401 HZ2 LYS 53 2HZ LYS 53 -17.160 -3.464 10.933 402 HZ3 LYS 53 3HZ LYS 53 -15.659 -4.017 11.482 403 H GLU 54 H GLU 54 -10.756 2.414 10.682 404 HA GLU 54 HA GLU 54 -8.174 1.610 10.406 405 HB2 GLU 54 1HB GLU 54 -9.039 3.885 9.893 406 HB3 GLU 54 2HB GLU 54 -9.018 4.250 11.613 407 HG2 GLU 54 1HG GLU 54 -6.493 3.273 10.434 408 HG3 GLU 54 2HG GLU 54 -7.027 4.884 9.956 409 H MET 55 H MET 55 -9.839 2.363 13.407 410 HA MET 55 HA MET 55 -7.460 2.152 15.015 411 HB2 MET 55 1HB MET 55 -10.383 2.503 15.594 412 HB3 MET 55 2HB MET 55 -9.269 2.092 16.891 413 HG2 MET 55 1HG MET 55 -9.183 4.529 15.132 414 HG3 MET 55 2HG MET 55 -9.589 4.463 16.845 415 HE1 MET 55 1HE MET 55 -6.301 5.363 14.597 416 HE2 MET 55 2HE MET 55 -5.589 3.769 14.848 417 HE3 MET 55 3HE MET 55 -7.195 3.915 14.131 418 H GLN 56 H GLN 56 -10.436 0.207 14.710 419 HA GLN 56 HA GLN 56 -10.074 -1.854 16.346 420 HB2 GLN 56 1HB GLN 56 -11.866 -1.715 14.638 421 HB3 GLN 56 2HB GLN 56 -10.711 -2.226 13.414 422 HG2 GLN 56 1HG GLN 56 -11.812 -4.184 13.919 423 HG3 GLN 56 2HG GLN 56 -10.368 -4.287 14.925 424 HE21 GLN 56 1HE2 GLN 56 -12.731 -5.724 15.390 425 HE22 GLN 56 2HE2 GLN 56 -13.405 -5.189 16.887 426 H SER 57 H SER 57 -8.747 -2.134 13.048 427 HA SER 57 HA SER 57 -6.177 -2.971 13.978 428 HB2 SER 57 1HB SER 57 -7.653 -5.014 14.341 429 HB3 SER 57 2HB SER 57 -7.805 -5.101 12.586 430 HG SER 57 HG SER 57 -5.242 -4.902 13.682 431 H TYR 58 H TYR 58 -4.719 -3.518 12.188 432 HA TYR 58 HA TYR 58 -5.667 -2.462 9.607 433 HB2 TYR 58 1HB TYR 58 -3.661 -1.243 9.298 434 HB3 TYR 58 2HB TYR 58 -4.173 -0.892 10.945 435 HD1 TYR 58 1HD TYR 58 -1.697 -2.631 8.870 436 HD2 TYR 58 2HD TYR 58 -2.895 -1.681 12.841 437 HE1 TYR 58 1HE TYR 58 0.502 -3.355 9.700 438 HE2 TYR 58 2HE TYR 58 -0.699 -2.401 13.682 439 HH TYR 58 HH TYR 58 1.312 -3.172 13.156 440 H SER 59 H SER 59 -4.797 -3.380 7.743 441 HA SER 59 HA SER 59 -3.601 -6.025 8.160 442 HB2 SER 59 1HB SER 59 -5.775 -5.509 6.754 443 HB3 SER 59 2HB SER 59 -4.607 -5.109 5.494 444 HG SER 59 HG SER 59 -3.899 -7.412 6.654 445 H THR 60 H THR 60 -1.903 -6.753 6.738 446 HA THR 60 HA THR 60 -0.303 -4.584 5.558 447 HB THR 60 HB THR 60 0.925 -6.875 7.091 448 HG1 THR 60 1HG THR 60 0.006 -4.359 7.955 449 HG21 THR 60 1HG2 THR 60 2.229 -4.241 6.579 450 HG22 THR 60 2HG2 THR 60 2.136 -5.414 5.266 451 HG23 THR 60 3HG2 THR 60 2.953 -5.837 6.771 452 H LEU 61 H LEU 61 0.940 -5.132 3.763 453 HA LEU 61 HA LEU 61 0.699 -7.869 2.743 454 HB2 LEU 61 1HB LEU 61 -1.106 -6.498 1.759 455 HB3 LEU 61 2HB LEU 61 0.112 -5.400 1.115 456 HG LEU 61 HG LEU 61 1.012 -7.481 -0.119 457 HD11 LEU 61 1HD1 LEU 61 -0.285 -9.342 -0.329 458 HD12 LEU 61 2HD1 LEU 61 -1.785 -8.471 -0.014 459 HD13 LEU 61 3HD1 LEU 61 -0.707 -8.880 1.320 460 HD21 LEU 61 1HD2 LEU 61 -0.426 -7.042 -1.990 461 HD22 LEU 61 2HD2 LEU 61 -0.125 -5.524 -1.144 462 HD23 LEU 61 3HD2 LEU 61 -1.664 -6.361 -0.936 463 H LYS 62 H LYS 62 2.303 -8.467 1.220 464 HA LYS 62 HA LYS 62 4.646 -6.678 1.206 465 HB2 LYS 62 1HB LYS 62 4.498 -9.692 1.299 466 HB3 LYS 62 2HB LYS 62 5.982 -8.810 0.966 467 HG2 LYS 62 1HG LYS 62 5.944 -9.433 3.277 468 HG3 LYS 62 2HG LYS 62 5.755 -7.682 3.155 469 HD2 LYS 62 1HD LYS 62 3.572 -7.732 3.851 470 HD3 LYS 62 2HD LYS 62 3.302 -9.366 3.239 471 HE2 LYS 62 1HE LYS 62 5.012 -8.700 5.631 472 HE3 LYS 62 2HE LYS 62 3.324 -9.199 5.724 473 HZ1 LYS 62 1HZ LYS 62 3.950 -11.275 4.604 474 HZ2 LYS 62 2HZ LYS 62 4.752 -11.081 6.080 475 HZ3 LYS 62 3HZ LYS 62 5.574 -10.798 4.628 476 H ALA 63 H ALA 63 5.582 -6.192 -0.701 477 HA ALA 63 HA ALA 63 4.747 -7.682 -3.092 478 HB1 ALA 63 1HB ALA 63 4.621 -4.709 -2.682 479 HB2 ALA 63 2HB ALA 63 4.682 -5.436 -4.289 480 HB3 ALA 63 3HB ALA 63 3.340 -5.805 -3.204 481 H VAL 64 H VAL 64 6.367 -8.163 -4.449 482 HA VAL 64 HA VAL 64 9.046 -7.269 -3.756 483 HB VAL 64 HB VAL 64 9.803 -8.934 -5.420 484 HG11 VAL 64 1HG1 VAL 64 7.816 -10.353 -3.706 485 HG12 VAL 64 2HG1 VAL 64 9.508 -10.739 -4.026 486 HG13 VAL 64 3HG1 VAL 64 9.095 -9.409 -2.944 487 HG21 VAL 64 1HG2 VAL 64 7.973 -8.846 -6.986 488 HG22 VAL 64 2HG2 VAL 64 8.128 -10.493 -6.376 489 HG23 VAL 64 3HG2 VAL 64 6.850 -9.444 -5.764 490 H THR 65 H THR 65 6.656 -6.811 -6.243 491 HA THR 65 HA THR 65 8.574 -5.298 -7.874 492 HB THR 65 HB THR 65 7.470 -6.802 -9.285 493 HG1 THR 65 1HG THR 65 7.157 -5.110 -10.526 494 HG21 THR 65 1HG2 THR 65 5.750 -7.572 -7.759 495 HG22 THR 65 2HG2 THR 65 5.015 -7.114 -9.295 496 HG23 THR 65 3HG2 THR 65 4.895 -6.037 -7.904 497 H THR 66 H THR 66 7.492 -3.360 -9.026 498 HA THR 66 HA THR 66 6.596 -1.564 -6.958 499 HB THR 66 HB THR 66 6.625 0.153 -8.773 500 HG1 THR 66 1HG THR 66 7.881 -1.730 -10.445 501 HG21 THR 66 1HG2 THR 66 8.684 0.341 -7.905 502 HG22 THR 66 2HG2 THR 66 9.230 -0.571 -9.312 503 HG23 THR 66 3HG2 THR 66 8.887 -1.407 -7.798 504 H ARG 67 H ARG 67 4.921 -3.823 -8.370 505 HA ARG 67 HA ARG 67 2.483 -2.195 -8.516 506 HB2 ARG 67 1HB ARG 67 3.161 -4.418 -10.449 507 HB3 ARG 67 2HB ARG 67 1.685 -3.463 -10.438 508 HG2 ARG 67 1HG ARG 67 2.754 -1.566 -11.237 509 HG3 ARG 67 2HG ARG 67 4.349 -2.143 -10.753 510 HD2 ARG 67 1HD ARG 67 2.748 -3.615 -12.812 511 HD3 ARG 67 2HD ARG 67 3.693 -2.194 -13.256 512 HE ARG 67 HE ARG 67 5.157 -4.202 -11.791 513 HH11 ARG 67 2HH1 ARG 67 4.174 -3.047 -14.924 514 HH12 ARG 67 1HH1 ARG 67 5.475 -3.825 -15.764 515 HH21 ARG 67 2HH2 ARG 67 6.874 -5.231 -12.884 516 HH22 ARG 67 1HH2 ARG 67 7.010 -5.067 -14.603 517 H ALA 68 H ALA 68 0.900 -2.965 -7.277 518 HA ALA 68 HA ALA 68 0.740 -5.829 -6.726 519 HB1 ALA 68 1HB ALA 68 0.929 -3.729 -4.572 520 HB2 ALA 68 2HB ALA 68 0.473 -5.411 -4.299 521 HB3 ALA 68 3HB ALA 68 2.084 -5.021 -4.901 522 H THR 69 H THR 69 -1.308 -6.380 -5.554 523 HA THR 69 HA THR 69 -3.453 -4.428 -5.968 524 HB THR 69 HB THR 69 -3.541 -7.258 -7.033 525 HG1 THR 69 1HG THR 69 -3.457 -4.717 -8.321 526 HG21 THR 69 1HG2 THR 69 -5.731 -6.274 -8.046 527 HG22 THR 69 2HG2 THR 69 -5.621 -5.130 -6.708 528 HG23 THR 69 3HG2 THR 69 -5.731 -6.859 -6.383 529 H VAL 70 H VAL 70 -4.307 -4.209 -4.006 530 HA VAL 70 HA VAL 70 -4.211 -6.267 -2.023 531 HB VAL 70 HB VAL 70 -5.750 -3.667 -2.024 532 HG11 VAL 70 1HG1 VAL 70 -6.291 -4.004 0.177 533 HG12 VAL 70 2HG1 VAL 70 -6.362 -5.662 -0.422 534 HG13 VAL 70 3HG1 VAL 70 -4.939 -5.101 0.457 535 HG21 VAL 70 1HG2 VAL 70 -3.885 -2.605 -1.393 536 HG22 VAL 70 2HG2 VAL 70 -3.408 -3.903 -0.300 537 HG23 VAL 70 3HG2 VAL 70 -3.026 -4.012 -2.018 538 H SER 71 H SER 71 -5.497 -7.980 -2.009 539 HA SER 71 HA SER 71 -8.264 -7.672 -2.977 540 HB2 SER 71 1HB SER 71 -7.299 -9.190 -4.470 541 HB3 SER 71 2HB SER 71 -6.316 -9.947 -3.217 542 HG SER 71 HG SER 71 -9.146 -10.101 -3.317 543 H GLY 72 H GLY 72 -9.889 -8.995 -1.918 544 HA2 GLY 72 1HA GLY 72 -10.758 -10.209 -0.110 545 HA3 GLY 72 2HA GLY 72 -9.196 -10.100 0.687 546 H LEU 73 H LEU 73 -11.153 -7.465 -0.636 547 HA LEU 73 HA LEU 73 -11.269 -6.323 2.075 548 HB2 LEU 73 1HB LEU 73 -11.573 -4.824 -0.514 549 HB3 LEU 73 2HB LEU 73 -11.321 -4.157 1.098 550 HG LEU 73 HG LEU 73 -9.245 -5.855 -0.260 551 HD11 LEU 73 1HD1 LEU 73 -8.244 -3.429 -0.618 552 HD12 LEU 73 2HD1 LEU 73 -9.954 -3.012 -0.726 553 HD13 LEU 73 3HD1 LEU 73 -9.267 -4.206 -1.826 554 HD21 LEU 73 1HD2 LEU 73 -7.829 -5.165 1.396 555 HD22 LEU 73 2HD2 LEU 73 -9.353 -5.167 2.284 556 HD23 LEU 73 3HD2 LEU 73 -8.696 -3.652 1.663 557 H LYS 74 H LYS 74 -13.180 -4.693 2.249 558 HA LYS 74 HA LYS 74 -15.595 -6.152 1.439 559 HB2 LYS 74 1HB LYS 74 -14.947 -4.323 3.725 560 HB3 LYS 74 2HB LYS 74 -16.619 -4.539 3.225 561 HG2 LYS 74 1HG LYS 74 -16.627 -6.797 3.804 562 HG3 LYS 74 2HG LYS 74 -14.865 -6.890 3.831 563 HD2 LYS 74 1HD LYS 74 -16.175 -5.005 5.715 564 HD3 LYS 74 2HD LYS 74 -16.314 -6.732 6.056 565 HE2 LYS 74 1HE LYS 74 -13.630 -5.679 5.353 566 HE3 LYS 74 2HE LYS 74 -14.280 -5.258 6.937 567 HZ1 LYS 74 1HZ LYS 74 -14.702 -7.994 6.489 568 HZ2 LYS 74 2HZ LYS 74 -13.732 -7.259 7.663 569 HZ3 LYS 74 3HZ LYS 74 -13.080 -7.651 6.153 570 HA PRO 75 HA PRO 75 -16.682 -2.961 -1.403 571 HB2 PRO 75 1HB PRO 75 -19.339 -3.484 -1.594 572 HB3 PRO 75 2HB PRO 75 -18.104 -4.501 -2.345 573 HG2 PRO 75 1HG PRO 75 -19.583 -4.904 0.227 574 HG3 PRO 75 2HG PRO 75 -19.193 -6.085 -1.037 575 HD2 PRO 75 1HD PRO 75 -17.769 -5.884 1.257 576 HD3 PRO 75 2HD PRO 75 -17.033 -6.367 -0.284 577 H GLY 76 H GLY 76 -18.037 -1.051 -1.589 578 HA2 GLY 76 1HA GLY 76 -18.684 0.961 -0.657 579 HA3 GLY 76 2HA GLY 76 -19.891 -0.050 0.123 580 H THR 77 H THR 77 -16.378 0.104 0.613 581 HA THR 77 HA THR 77 -16.798 1.238 3.274 582 HB THR 77 HB THR 77 -15.290 -1.343 2.811 583 HG1 THR 77 1HG THR 77 -17.833 -0.972 3.224 584 HG21 THR 77 1HG2 THR 77 -14.120 -0.106 4.476 585 HG22 THR 77 2HG2 THR 77 -15.102 -1.297 5.328 586 HG23 THR 77 3HG2 THR 77 -15.622 0.386 5.258 587 H ARG 78 H ARG 78 -15.442 2.881 3.500 588 HA ARG 78 HA ARG 78 -13.375 3.493 1.723 589 HB2 ARG 78 1HB ARG 78 -14.289 4.521 4.351 590 HB3 ARG 78 2HB ARG 78 -12.648 4.933 3.874 591 HG2 ARG 78 1HG ARG 78 -13.664 5.733 1.678 592 HG3 ARG 78 2HG ARG 78 -15.221 5.631 2.504 593 HD2 ARG 78 1HD ARG 78 -14.118 7.064 4.326 594 HD3 ARG 78 2HD ARG 78 -12.874 7.395 3.121 595 HE ARG 78 HE ARG 78 -15.137 7.993 1.797 596 HH11 ARG 78 2HH1 ARG 78 -13.936 8.910 4.934 597 HH12 ARG 78 1HH1 ARG 78 -14.728 10.451 4.931 598 HH21 ARG 78 2HH2 ARG 78 -16.185 10.019 1.782 599 HH22 ARG 78 1HH2 ARG 78 -16.008 11.080 3.138 600 H TYR 79 H TYR 79 -11.193 3.183 1.736 601 HA TYR 79 HA TYR 79 -10.071 1.572 3.929 602 HB2 TYR 79 1HB TYR 79 -10.070 1.035 1.004 603 HB3 TYR 79 2HB TYR 79 -8.599 0.656 1.893 604 HD1 TYR 79 2HD TYR 79 -8.650 -1.030 3.705 605 HD2 TYR 79 1HD TYR 79 -12.044 -0.291 1.249 606 HE1 TYR 79 2HE TYR 79 -9.636 -3.161 4.437 607 HE2 TYR 79 1HE TYR 79 -13.041 -2.420 1.975 608 HH TYR 79 HH TYR 79 -11.272 -4.786 3.688 609 H VAL 80 H VAL 80 -7.731 1.718 4.135 610 HA VAL 80 HA VAL 80 -6.611 4.193 2.997 611 HB VAL 80 HB VAL 80 -6.153 3.257 5.831 612 HG11 VAL 80 1HG1 VAL 80 -4.580 4.857 4.273 613 HG12 VAL 80 2HG1 VAL 80 -5.595 6.035 5.106 614 HG13 VAL 80 3HG1 VAL 80 -4.630 4.887 6.035 615 HG21 VAL 80 1HG2 VAL 80 -7.569 5.090 6.542 616 HG22 VAL 80 2HG2 VAL 80 -7.867 5.545 4.864 617 HG23 VAL 80 3HG2 VAL 80 -8.475 4.009 5.482 618 H PHE 81 H PHE 81 -4.953 3.658 1.748 619 HA PHE 81 HA PHE 81 -3.346 1.301 2.431 620 HB2 PHE 81 1HB PHE 81 -3.516 2.871 -0.149 621 HB3 PHE 81 2HB PHE 81 -2.517 1.443 0.104 622 HD1 PHE 81 1HD PHE 81 -3.578 -0.759 0.455 623 HD2 PHE 81 2HD PHE 81 -5.839 2.694 -0.584 624 HE1 PHE 81 1HE PHE 81 -5.459 -2.197 -0.215 625 HE2 PHE 81 2HE PHE 81 -7.724 1.262 -1.255 626 HZ PHE 81 HZ PHE 81 -7.536 -1.186 -1.070 627 H GLN 82 H GLN 82 -1.079 1.395 2.487 628 HA GLN 82 HA GLN 82 0.245 3.963 2.283 629 HB2 GLN 82 1HB GLN 82 -0.237 2.570 4.885 630 HB3 GLN 82 2HB GLN 82 1.270 3.447 4.652 631 HG2 GLN 82 1HG GLN 82 -0.181 5.427 3.975 632 HG3 GLN 82 2HG GLN 82 -1.530 4.514 4.650 633 HE21 GLN 82 1HE2 GLN 82 0.409 6.941 5.340 634 HE22 GLN 82 2HE2 GLN 82 0.579 6.765 7.051 635 H VAL 83 H VAL 83 1.794 3.353 0.903 636 HA VAL 83 HA VAL 83 3.139 0.788 1.246 637 HB VAL 83 HB VAL 83 3.594 2.854 -0.909 638 HG11 VAL 83 1HG1 VAL 83 4.059 0.000 -1.429 639 HG12 VAL 83 2HG1 VAL 83 5.020 1.410 -1.879 640 HG13 VAL 83 3HG1 VAL 83 5.152 0.733 -0.255 641 HG21 VAL 83 1HG2 VAL 83 1.293 1.308 -0.466 642 HG22 VAL 83 2HG2 VAL 83 1.708 2.234 -1.908 643 HG23 VAL 83 3HG2 VAL 83 2.159 0.533 -1.793 644 H ARG 84 H ARG 84 5.295 0.541 1.707 645 HA ARG 84 HA ARG 84 6.945 2.910 2.114 646 HB2 ARG 84 1HB ARG 84 7.523 2.380 4.375 647 HB3 ARG 84 2HB ARG 84 5.768 2.431 4.275 648 HG2 ARG 84 1HG ARG 84 5.626 0.048 4.304 649 HG3 ARG 84 2HG ARG 84 7.378 -0.107 4.154 650 HD2 ARG 84 1HD ARG 84 7.566 1.118 6.342 651 HD3 ARG 84 2HD ARG 84 5.816 0.966 6.494 652 HE ARG 84 HE ARG 84 6.549 -1.577 6.110 653 HH11 ARG 84 2HH1 ARG 84 7.793 0.889 8.230 654 HH12 ARG 84 1HH1 ARG 84 8.300 -0.233 9.450 655 HH21 ARG 84 2HH2 ARG 84 7.212 -3.063 7.708 656 HH22 ARG 84 1HH2 ARG 84 7.969 -2.480 9.151 657 H ALA 85 H ALA 85 9.161 2.513 2.034 658 HA ALA 85 HA ALA 85 9.871 -0.110 0.929 659 HB1 ALA 85 1HB ALA 85 12.070 1.357 0.481 660 HB2 ALA 85 2HB ALA 85 10.690 1.321 -0.617 661 HB3 ALA 85 3HB ALA 85 10.864 2.643 0.537 662 H ARG 86 H ARG 86 11.193 -1.478 1.961 663 HA ARG 86 HA ARG 86 12.610 -0.494 4.350 664 HB2 ARG 86 1HB ARG 86 10.663 -1.883 4.955 665 HB3 ARG 86 2HB ARG 86 11.311 -3.200 3.986 666 HG2 ARG 86 1HG ARG 86 13.366 -3.071 5.488 667 HG3 ARG 86 2HG ARG 86 12.374 -2.071 6.551 668 HD2 ARG 86 1HD ARG 86 10.734 -3.864 6.727 669 HD3 ARG 86 2HD ARG 86 11.687 -4.859 5.626 670 HE ARG 86 HE ARG 86 13.083 -3.981 7.999 671 HH11 ARG 86 2HH1 ARG 86 11.132 -6.458 6.524 672 HH12 ARG 86 1HH1 ARG 86 11.651 -7.699 7.616 673 HH21 ARG 86 2HH2 ARG 86 13.774 -5.606 9.442 674 HH22 ARG 86 1HH2 ARG 86 13.153 -7.214 9.276 675 H THR 87 H THR 87 14.737 -0.741 4.271 676 HA THR 87 HA THR 87 15.854 -2.689 2.365 677 HB THR 87 HB THR 87 17.874 -1.321 2.307 678 HG1 THR 87 1HG THR 87 18.214 0.176 3.765 679 HG21 THR 87 1HG2 THR 87 16.356 0.943 1.727 680 HG22 THR 87 2HG2 THR 87 15.263 -0.414 1.452 681 HG23 THR 87 3HG2 THR 87 16.809 -0.341 0.607 682 H SER 88 H SER 88 17.694 -3.911 2.973 683 HA SER 88 HA SER 88 17.668 -5.319 5.236 684 HB2 SER 88 1HB SER 88 20.064 -5.758 4.977 685 HB3 SER 88 2HB SER 88 19.275 -5.711 3.400 686 HG SER 88 HG SER 88 21.340 -4.485 3.737 687 H ALA 89 H ALA 89 19.223 -2.157 4.911 688 HA ALA 89 HA ALA 89 20.418 -1.978 7.414 689 HB1 ALA 89 1HB ALA 89 20.206 -0.328 5.262 690 HB2 ALA 89 2HB ALA 89 19.225 0.522 6.457 691 HB3 ALA 89 3HB ALA 89 20.906 0.127 6.816 692 H GLY 90 H GLY 90 17.259 -0.584 6.483 693 HA2 GLY 90 1HA GLY 90 16.048 -1.426 8.948 694 HA3 GLY 90 2HA GLY 90 16.394 0.297 8.921 695 H CYS 91 H CYS 91 13.932 0.133 9.225 696 HA CYS 91 HA CYS 91 12.598 -0.050 6.611 697 HB2 CYS 91 1HB CYS 91 10.501 -0.258 7.873 698 HB3 CYS 91 2HB CYS 91 11.654 -1.501 8.343 699 HG CYS 91 HG CYS 91 10.118 -0.473 10.547 700 H GLY 92 H GLY 92 11.414 1.647 5.802 701 HA2 GLY 92 1HA GLY 92 11.959 4.241 7.058 702 HA3 GLY 92 2HA GLY 92 11.477 3.985 5.388 703 H ARG 93 H ARG 93 10.269 5.914 6.958 704 HA ARG 93 HA ARG 93 7.974 5.172 8.335 705 HB2 ARG 93 1HB ARG 93 8.552 7.627 6.675 706 HB3 ARG 93 2HB ARG 93 7.111 7.450 7.667 707 HG2 ARG 93 1HG ARG 93 8.478 7.260 9.663 708 HG3 ARG 93 2HG ARG 93 9.944 7.365 8.685 709 HD2 ARG 93 1HD ARG 93 7.873 9.522 8.559 710 HD3 ARG 93 2HD ARG 93 9.047 9.488 9.874 711 HE ARG 93 HE ARG 93 10.231 9.286 7.263 712 HH11 ARG 93 2HH1 ARG 93 9.070 11.462 9.720 713 HH12 ARG 93 1HH1 ARG 93 10.056 12.787 9.197 714 HH21 ARG 93 2HH2 ARG 93 11.534 11.023 6.565 715 HH22 ARG 93 1HH2 ARG 93 11.456 12.537 7.401 716 H PHE 94 H PHE 94 5.698 5.907 7.440 717 HA PHE 94 HA PHE 94 5.238 4.262 5.065 718 HB2 PHE 94 1HB PHE 94 3.623 5.043 7.429 719 HB3 PHE 94 2HB PHE 94 2.750 4.825 5.916 720 HD1 PHE 94 1HD PHE 94 3.532 2.605 4.603 721 HD2 PHE 94 2HD PHE 94 3.744 3.225 8.808 722 HE1 PHE 94 1HE PHE 94 3.521 0.171 4.959 723 HE2 PHE 94 2HE PHE 94 3.734 0.792 9.171 724 HZ PHE 94 HZ PHE 94 3.624 -0.739 7.245 725 H SER 95 H SER 95 4.058 4.985 3.287 726 HA SER 95 HA SER 95 4.519 7.616 2.460 727 HB2 SER 95 1HB SER 95 2.973 7.085 0.584 728 HB3 SER 95 2HB SER 95 4.178 5.825 0.851 729 HG SER 95 HG SER 95 1.817 5.245 0.585 730 H GLN 96 H GLN 96 2.523 8.923 1.511 731 HA GLN 96 HA GLN 96 1.186 10.026 3.727 732 HB2 GLN 96 1HB GLN 96 1.001 10.374 0.765 733 HB3 GLN 96 2HB GLN 96 -0.256 11.069 1.780 734 HG2 GLN 96 1HG GLN 96 1.173 12.579 2.757 735 HG3 GLN 96 2HG GLN 96 2.602 11.601 2.428 736 HE21 GLN 96 1HE2 GLN 96 3.706 11.894 0.567 737 HE22 GLN 96 2HE2 GLN 96 3.300 13.074 -0.627 738 H ALA 97 H ALA 97 -0.829 9.757 4.550 739 HA ALA 97 HA ALA 97 -2.142 7.317 4.283 740 HB1 ALA 97 1HB ALA 97 -2.306 9.242 6.081 741 HB2 ALA 97 2HB ALA 97 -3.713 9.699 5.120 742 HB3 ALA 97 3HB ALA 97 -3.622 8.092 5.841 743 H MET 98 H MET 98 -2.892 6.621 2.368 744 HA MET 98 HA MET 98 -4.468 8.461 0.712 745 HB2 MET 98 1HB MET 98 -2.718 7.442 -0.538 746 HB3 MET 98 2HB MET 98 -3.091 5.848 0.104 747 HG2 MET 98 1HG MET 98 -4.919 5.574 -1.264 748 HG3 MET 98 2HG MET 98 -5.144 7.307 -1.488 749 HE1 MET 98 1HE MET 98 -5.605 5.646 -3.745 750 HE2 MET 98 2HE MET 98 -4.363 5.527 -4.992 751 HE3 MET 98 3HE MET 98 -4.408 4.352 -3.677 752 H GLU 99 H GLU 99 -6.606 8.337 0.777 753 HA GLU 99 HA GLU 99 -7.848 5.902 1.850 754 HB2 GLU 99 1HB GLU 99 -9.037 8.660 1.501 755 HB3 GLU 99 2HB GLU 99 -9.813 7.290 2.283 756 HG2 GLU 99 1HG GLU 99 -9.056 8.358 4.125 757 HG3 GLU 99 2HG GLU 99 -7.630 7.382 3.778 758 H VAL 100 H VAL 100 -9.043 4.615 0.601 759 HA VAL 100 HA VAL 100 -10.117 5.655 -1.923 760 HB VAL 100 HB VAL 100 -8.526 3.098 -1.674 761 HG11 VAL 100 1HG1 VAL 100 -9.095 2.553 -3.855 762 HG12 VAL 100 2HG1 VAL 100 -10.616 3.165 -3.201 763 HG13 VAL 100 3HG1 VAL 100 -9.623 4.193 -4.234 764 HG21 VAL 100 1HG2 VAL 100 -7.791 5.791 -2.341 765 HG22 VAL 100 2HG2 VAL 100 -6.770 4.362 -2.183 766 HG23 VAL 100 3HG2 VAL 100 -7.537 4.732 -3.727 767 H GLU 101 H GLU 101 -12.143 5.009 -2.327 768 HA GLU 101 HA GLU 101 -13.323 3.025 -0.518 769 HB2 GLU 101 1HB GLU 101 -14.219 5.469 -0.943 770 HB3 GLU 101 2HB GLU 101 -14.959 4.724 -2.353 771 HG2 GLU 101 1HG GLU 101 -15.827 2.975 -0.633 772 HG3 GLU 101 2HG GLU 101 -15.496 4.249 0.540 773 H THR 102 H THR 102 -14.205 1.163 -1.230 774 HA THR 102 HA THR 102 -13.656 0.378 -3.959 775 HB THR 102 HB THR 102 -14.505 -1.850 -3.247 776 HG1 THR 102 1HG THR 102 -14.570 -0.942 -0.587 777 HG21 THR 102 1HG2 THR 102 -12.190 -0.457 -2.255 778 HG22 THR 102 2HG2 THR 102 -12.354 -2.144 -2.742 779 HG23 THR 102 3HG2 THR 102 -12.724 -1.664 -1.087 780 H GLY 103 H GLY 103 -15.379 -0.944 -5.123 781 HA2 GLY 103 1HA GLY 103 -17.625 0.735 -5.595 782 HA3 GLY 103 2HA GLY 103 -17.348 -0.846 -6.308 783 H LYS 104 H LYS 104 -19.624 0.711 -4.793 784 HA LYS 104 HA LYS 104 -20.288 -0.783 -2.514 785 HB2 LYS 104 1HB LYS 104 -21.883 0.882 -4.438 786 HB3 LYS 104 2HB LYS 104 -22.687 -0.010 -3.152 787 HG2 LYS 104 1HG LYS 104 -22.331 2.213 -2.390 788 HG3 LYS 104 2HG LYS 104 -21.215 1.161 -1.517 789 HD2 LYS 104 1HD LYS 104 -19.470 1.782 -3.226 790 HD3 LYS 104 2HD LYS 104 -20.598 3.003 -3.821 791 HE2 LYS 104 1HE LYS 104 -19.831 2.875 -0.925 792 HE3 LYS 104 2HE LYS 104 -18.810 3.702 -2.100 793 HZ1 LYS 104 1HZ LYS 104 -21.275 4.678 -2.638 794 HZ2 LYS 104 2HZ LYS 104 -20.107 5.451 -1.689 795 HZ3 LYS 104 3HZ LYS 104 -21.314 4.522 -0.953 796 HA PRO 105 HA PRO 105 -21.764 -4.630 -4.029 797 HB2 PRO 105 1HB PRO 105 -23.743 -5.170 -2.250 798 HB3 PRO 105 2HB PRO 105 -22.027 -5.257 -1.834 799 HG2 PRO 105 1HG PRO 105 -23.995 -3.064 -1.307 800 HG3 PRO 105 2HG PRO 105 -22.757 -3.738 -0.232 801 HD2 PRO 105 1HD PRO 105 -22.412 -1.412 -1.574 802 HD3 PRO 105 2HD PRO 105 -21.066 -2.509 -1.203 803 H SER 106 H SER 106 -23.741 -1.855 -3.996 804 HA SER 106 HA SER 106 -26.180 -2.944 -4.917 805 HB2 SER 106 1HB SER 106 -26.682 -0.622 -5.651 806 HB3 SER 106 2HB SER 106 -26.084 -0.695 -3.993 807 HG SER 106 HG SER 106 -24.517 -0.080 -6.280 808 H GLY 107 H GLY 107 -23.318 -1.717 -6.597 809 HA2 GLY 107 1HA GLY 107 -23.189 -3.312 -8.727 810 HA3 GLY 107 2HA GLY 107 -24.517 -2.261 -9.195 811 HA PRO 108 HA PRO 108 -20.305 -0.421 -10.314 812 HB2 PRO 108 1HB PRO 108 -20.558 -0.603 -13.011 813 HB3 PRO 108 2HB PRO 108 -19.840 -1.882 -12.025 814 HG2 PRO 108 1HG PRO 108 -22.614 -1.674 -13.131 815 HG3 PRO 108 2HG PRO 108 -21.536 -3.081 -13.072 816 HD2 PRO 108 1HD PRO 108 -23.553 -2.717 -11.303 817 HD3 PRO 108 2HD PRO 108 -22.036 -3.530 -10.868 818 H SER 109 H SER 109 -21.427 1.453 -9.454 819 HA SER 109 HA SER 109 -22.500 3.152 -11.600 820 HB2 SER 109 1HB SER 109 -24.206 4.042 -10.144 821 HB3 SER 109 2HB SER 109 -24.347 2.285 -10.142 822 HG SER 109 HG SER 109 -24.095 2.383 -8.071 823 H SER 110 H SER 110 -21.310 4.915 -11.828 824 HA SER 110 HA SER 110 -19.308 5.642 -9.928 825 HB2 SER 110 1HB SER 110 -18.912 7.568 -11.485 826 HB3 SER 110 2HB SER 110 -18.868 5.993 -12.276 827 HG SER 110 HG SER 110 -20.238 6.955 -13.571 828 H GLY 111 H GLY 111 -22.234 7.310 -11.110 829 HA2 GLY 111 1HA GLY 111 -23.335 8.148 -8.795 830 HA3 GLY 111 2HA GLY 111 -22.028 9.301 -9.019 Start of MODEL 6 1 H1 GLY 1 H GLY 1 26.239 17.399 13.242 2 HA2 GLY 1 1HA GLY 1 24.588 15.930 14.071 3 HA3 GLY 1 2HA GLY 1 23.701 16.115 12.565 4 H SER 2 H SER 2 23.711 13.657 13.207 5 HA SER 2 HA SER 2 25.851 12.414 11.616 6 HB2 SER 2 1HB SER 2 24.663 11.238 14.140 7 HB3 SER 2 2HB SER 2 25.934 10.524 13.148 8 HG SER 2 HG SER 2 27.355 11.878 13.967 9 H SER 3 H SER 3 25.212 10.900 10.173 10 HA SER 3 HA SER 3 22.374 10.649 9.690 11 HB2 SER 3 1HB SER 3 24.753 9.524 8.193 12 HB3 SER 3 2HB SER 3 23.078 9.419 7.652 13 HG SER 3 HG SER 3 23.026 11.614 7.398 14 H GLY 4 H GLY 4 25.032 8.278 9.978 15 HA2 GLY 4 1HA GLY 4 23.945 6.653 11.911 16 HA3 GLY 4 2HA GLY 4 23.227 6.100 10.405 17 H SER 5 H SER 5 26.451 7.027 11.622 18 HA SER 5 HA SER 5 28.112 5.811 9.909 19 HB2 SER 5 1HB SER 5 29.636 5.323 11.819 20 HB3 SER 5 2HB SER 5 28.949 6.945 11.886 21 HG SER 5 HG SER 5 27.330 5.991 13.326 22 H SER 6 H SER 6 26.661 4.082 12.671 23 HA SER 6 HA SER 6 27.580 1.532 11.816 24 HB2 SER 6 1HB SER 6 26.976 2.138 14.181 25 HB3 SER 6 2HB SER 6 25.280 2.110 13.696 26 HG SER 6 HG SER 6 26.572 -0.136 12.907 27 H GLY 7 H GLY 7 26.921 0.669 9.952 28 HA2 GLY 7 1HA GLY 7 25.298 -0.576 8.752 29 HA3 GLY 7 2HA GLY 7 24.036 0.373 9.524 30 H GLN 8 H GLN 8 22.950 1.179 7.816 31 HA GLN 8 HA GLN 8 24.396 3.060 6.108 32 HB2 GLN 8 1HB GLN 8 22.556 0.904 5.056 33 HB3 GLN 8 2HB GLN 8 23.227 2.217 4.098 34 HG2 GLN 8 1HG GLN 8 25.511 1.282 4.935 35 HG3 GLN 8 2HG GLN 8 24.577 -0.184 5.230 36 HE21 GLN 8 1HE2 GLN 8 26.361 1.506 2.998 37 HE22 GLN 8 2HE2 GLN 8 25.858 0.682 1.565 38 H ALA 9 H ALA 9 23.075 4.687 5.169 39 HA ALA 9 HA ALA 9 21.111 5.745 6.805 40 HB1 ALA 9 1HB ALA 9 22.406 6.514 4.463 41 HB2 ALA 9 2HB ALA 9 20.687 6.545 4.066 42 HB3 ALA 9 3HB ALA 9 21.294 7.482 5.432 43 H ALA 10 H ALA 10 18.845 5.923 6.626 44 HA ALA 10 HA ALA 10 17.555 3.509 5.759 45 HB1 ALA 10 1HB ALA 10 15.556 4.433 6.732 46 HB2 ALA 10 2HB ALA 10 16.913 4.717 7.823 47 HB3 ALA 10 3HB ALA 10 16.294 6.032 6.823 48 HA PRO 11 HA PRO 11 16.226 4.705 1.747 49 HB2 PRO 11 1HB PRO 11 13.887 3.338 1.568 50 HB3 PRO 11 2HB PRO 11 15.468 2.551 1.498 51 HG2 PRO 11 1HG PRO 11 13.581 2.809 3.807 52 HG3 PRO 11 2HG PRO 11 14.520 1.399 3.282 53 HD2 PRO 11 1HD PRO 11 15.291 2.977 5.343 54 HD3 PRO 11 2HD PRO 11 16.453 2.157 4.282 55 H SER 12 H SER 12 15.019 6.256 0.756 56 HA SER 12 HA SER 12 13.694 8.187 2.263 57 HB2 SER 12 1HB SER 12 13.952 7.592 -0.642 58 HB3 SER 12 2HB SER 12 12.673 8.705 -0.156 59 HG SER 12 HG SER 12 14.130 10.136 0.480 60 H GLN 13 H GLN 13 11.405 8.891 1.974 61 HA GLN 13 HA GLN 13 9.653 6.590 2.357 62 HB2 GLN 13 1HB GLN 13 9.546 8.276 4.076 63 HB3 GLN 13 2HB GLN 13 9.267 9.539 2.884 64 HG2 GLN 13 1HG GLN 13 7.159 8.127 2.295 65 HG3 GLN 13 2HG GLN 13 7.402 7.453 3.906 66 HE21 GLN 13 1HE2 GLN 13 5.112 8.698 3.544 67 HE22 GLN 13 2HE2 GLN 13 5.095 10.253 4.296 68 H VAL 14 H VAL 14 8.164 5.958 0.929 69 HA VAL 14 HA VAL 14 8.079 7.085 -1.674 70 HB VAL 14 HB VAL 14 6.220 5.078 -0.391 71 HG11 VAL 14 1HG1 VAL 14 6.631 5.307 -3.334 72 HG12 VAL 14 2HG1 VAL 14 5.247 4.684 -2.433 73 HG13 VAL 14 3HG1 VAL 14 5.525 6.423 -2.534 74 HG21 VAL 14 1HG2 VAL 14 8.067 3.805 -0.455 75 HG22 VAL 14 2HG2 VAL 14 7.754 3.719 -2.188 76 HG23 VAL 14 3HG2 VAL 14 8.903 4.899 -1.557 77 H VAL 15 H VAL 15 7.077 8.895 -2.227 78 HA VAL 15 HA VAL 15 4.577 9.606 -0.836 79 HB VAL 15 HB VAL 15 5.120 11.978 -1.552 80 HG11 VAL 15 1HG1 VAL 15 6.470 12.400 0.369 81 HG12 VAL 15 2HG1 VAL 15 5.410 11.044 0.755 82 HG13 VAL 15 3HG1 VAL 15 7.104 10.755 0.357 83 HG21 VAL 15 1HG2 VAL 15 7.968 11.575 -1.596 84 HG22 VAL 15 2HG2 VAL 15 7.199 10.688 -2.912 85 HG23 VAL 15 3HG2 VAL 15 6.940 12.425 -2.750 86 H VAL 16 H VAL 16 5.294 8.081 -3.431 87 HA VAL 16 HA VAL 16 3.416 9.568 -5.148 88 HB VAL 16 HB VAL 16 5.549 9.778 -6.200 89 HG11 VAL 16 1HG1 VAL 16 5.858 6.783 -6.064 90 HG12 VAL 16 2HG1 VAL 16 7.035 7.958 -6.652 91 HG13 VAL 16 3HG1 VAL 16 6.619 7.907 -4.939 92 HG21 VAL 16 1HG2 VAL 16 5.049 7.850 -8.104 93 HG22 VAL 16 2HG2 VAL 16 3.469 8.109 -7.365 94 HG23 VAL 16 3HG2 VAL 16 4.351 9.469 -8.060 95 H ILE 17 H ILE 17 1.567 8.463 -5.094 96 HA ILE 17 HA ILE 17 1.634 5.615 -5.758 97 HB ILE 17 HB ILE 17 0.120 6.754 -3.407 98 HG12 ILE 17 1HG1 ILE 17 2.165 4.530 -3.480 99 HG13 ILE 17 2HG1 ILE 17 2.568 6.204 -3.112 100 HG21 ILE 17 1HG2 ILE 17 -0.074 4.106 -4.805 101 HG22 ILE 17 2HG2 ILE 17 -0.548 4.305 -3.119 102 HG23 ILE 17 3HG2 ILE 17 -1.366 5.227 -4.380 103 HD11 ILE 17 1HD1 ILE 17 2.328 4.875 -1.092 104 HD12 ILE 17 2HD1 ILE 17 1.097 6.136 -1.174 105 HD13 ILE 17 3HD1 ILE 17 0.675 4.465 -1.548 106 H ARG 18 H ARG 18 -0.197 4.857 -6.829 107 HA ARG 18 HA ARG 18 -2.360 6.747 -7.362 108 HB2 ARG 18 1HB ARG 18 -0.918 5.329 -9.603 109 HB3 ARG 18 2HB ARG 18 -2.208 6.515 -9.748 110 HG2 ARG 18 1HG ARG 18 -0.789 8.275 -9.035 111 HG3 ARG 18 2HG ARG 18 0.471 7.143 -8.541 112 HD2 ARG 18 1HD ARG 18 0.846 6.500 -10.841 113 HD3 ARG 18 2HD ARG 18 -0.492 7.518 -11.373 114 HE ARG 18 HE ARG 18 0.859 9.374 -11.160 115 HH11 ARG 18 2HH1 ARG 18 2.426 6.587 -9.783 116 HH12 ARG 18 1HH1 ARG 18 3.964 7.369 -9.622 117 HH21 ARG 18 2HH2 ARG 18 2.879 10.414 -10.954 118 HH22 ARG 18 1HH2 ARG 18 4.220 9.546 -10.288 119 H GLN 19 H GLN 19 -4.059 5.602 -8.822 120 HA GLN 19 HA GLN 19 -4.326 2.818 -7.893 121 HB2 GLN 19 1HB GLN 19 -5.936 4.147 -6.725 122 HB3 GLN 19 2HB GLN 19 -6.427 4.961 -8.204 123 HG2 GLN 19 1HG GLN 19 -7.016 2.485 -8.930 124 HG3 GLN 19 2HG GLN 19 -7.144 2.274 -7.185 125 HE21 GLN 19 1HE2 GLN 19 -8.268 4.434 -6.238 126 HE22 GLN 19 2HE2 GLN 19 -9.807 4.746 -6.959 127 H GLU 20 H GLU 20 -4.023 1.491 -9.554 128 HA GLU 20 HA GLU 20 -4.409 2.280 -12.269 129 HB2 GLU 20 1HB GLU 20 -3.517 -0.166 -10.848 130 HB3 GLU 20 2HB GLU 20 -4.174 -0.391 -12.463 131 HG2 GLU 20 1HG GLU 20 -2.090 1.688 -12.008 132 HG3 GLU 20 2HG GLU 20 -1.623 -0.008 -12.110 133 H ARG 21 H ARG 21 -5.979 -0.270 -10.325 134 HA ARG 21 HA ARG 21 -8.499 0.317 -11.698 135 HB2 ARG 21 1HB ARG 21 -7.439 -2.491 -11.348 136 HB3 ARG 21 2HB ARG 21 -8.937 -2.020 -12.137 137 HG2 ARG 21 1HG ARG 21 -7.572 -0.795 -13.829 138 HG3 ARG 21 2HG ARG 21 -6.133 -1.497 -13.087 139 HD2 ARG 21 1HD ARG 21 -6.650 -3.632 -13.790 140 HD3 ARG 21 2HD ARG 21 -8.373 -3.281 -13.924 141 HE ARG 21 HE ARG 21 -6.364 -2.900 -15.942 142 HH11 ARG 21 2HH1 ARG 21 -9.489 -1.889 -14.789 143 HH12 ARG 21 1HH1 ARG 21 -10.023 -1.327 -16.338 144 HH21 ARG 21 2HH2 ARG 21 -7.055 -2.163 -17.987 145 HH22 ARG 21 1HH2 ARG 21 -8.639 -1.484 -18.157 146 H ALA 22 H ALA 22 -10.258 0.208 -10.411 147 HA ALA 22 HA ALA 22 -9.849 -0.775 -7.662 148 HB1 ALA 22 1HB ALA 22 -12.071 0.976 -7.751 149 HB2 ALA 22 2HB ALA 22 -10.521 1.212 -6.944 150 HB3 ALA 22 3HB ALA 22 -10.741 1.755 -8.607 151 H GLY 23 H GLY 23 -10.822 -2.678 -7.395 152 HA2 GLY 23 1HA GLY 23 -13.289 -3.244 -8.883 153 HA3 GLY 23 2HA GLY 23 -12.264 -4.437 -8.099 154 H GLN 24 H GLN 24 -14.493 -5.117 -7.372 155 HA GLN 24 HA GLN 24 -15.821 -3.533 -5.399 156 HB2 GLN 24 1HB GLN 24 -16.690 -5.507 -6.934 157 HB3 GLN 24 2HB GLN 24 -16.214 -6.488 -5.554 158 HG2 GLN 24 1HG GLN 24 -17.619 -4.810 -4.180 159 HG3 GLN 24 2HG GLN 24 -18.332 -4.390 -5.737 160 HE21 GLN 24 1HE2 GLN 24 -18.910 -6.106 -3.108 161 HE22 GLN 24 2HE2 GLN 24 -19.802 -7.433 -3.763 162 H THR 25 H THR 25 -13.970 -6.575 -5.197 163 HA THR 25 HA THR 25 -13.440 -5.949 -2.365 164 HB THR 25 HB THR 25 -13.113 -8.364 -2.004 165 HG1 THR 25 1HG THR 25 -14.110 -8.703 -4.651 166 HG21 THR 25 1HG2 THR 25 -15.377 -7.208 -1.804 167 HG22 THR 25 2HG2 THR 25 -15.396 -8.965 -1.958 168 HG23 THR 25 3HG2 THR 25 -15.773 -7.953 -3.352 169 H SER 26 H SER 26 -11.978 -5.332 -5.006 170 HA SER 26 HA SER 26 -9.330 -6.016 -3.981 171 HB2 SER 26 1HB SER 26 -8.536 -6.767 -6.167 172 HB3 SER 26 2HB SER 26 -9.884 -7.772 -5.635 173 HG SER 26 HG SER 26 -10.163 -5.547 -7.372 174 H VAL 27 H VAL 27 -7.669 -4.615 -4.675 175 HA VAL 27 HA VAL 27 -8.347 -2.370 -6.387 176 HB VAL 27 HB VAL 27 -7.624 -1.982 -3.481 177 HG11 VAL 27 1HG1 VAL 27 -6.670 -0.054 -4.020 178 HG12 VAL 27 2HG1 VAL 27 -6.959 -0.374 -5.731 179 HG13 VAL 27 3HG1 VAL 27 -8.172 0.477 -4.775 180 HG21 VAL 27 1HG2 VAL 27 -9.915 -2.227 -3.503 181 HG22 VAL 27 2HG2 VAL 27 -9.752 -0.486 -3.731 182 HG23 VAL 27 3HG2 VAL 27 -10.082 -1.529 -5.114 183 H SER 28 H SER 28 -6.602 -1.541 -7.419 184 HA SER 28 HA SER 28 -3.998 -2.733 -6.753 185 HB2 SER 28 1HB SER 28 -4.918 -3.178 -9.030 186 HB3 SER 28 2HB SER 28 -4.861 -1.446 -9.354 187 HG SER 28 HG SER 28 -2.562 -1.608 -8.873 188 H LEU 29 H LEU 29 -2.103 -1.435 -6.827 189 HA LEU 29 HA LEU 29 -2.523 1.466 -6.746 190 HB2 LEU 29 1HB LEU 29 -0.918 -0.043 -4.691 191 HB3 LEU 29 2HB LEU 29 -1.203 1.695 -4.742 192 HG LEU 29 HG LEU 29 -3.447 -0.276 -4.402 193 HD11 LEU 29 1HD1 LEU 29 -1.686 0.950 -2.291 194 HD12 LEU 29 2HD1 LEU 29 -1.983 -0.762 -2.590 195 HD13 LEU 29 3HD1 LEU 29 -3.276 0.261 -1.963 196 HD21 LEU 29 1HD2 LEU 29 -4.403 1.749 -4.895 197 HD22 LEU 29 2HD2 LEU 29 -3.087 2.673 -4.171 198 HD23 LEU 29 3HD2 LEU 29 -4.273 1.872 -3.140 199 H LEU 30 H LEU 30 -0.886 2.658 -7.596 200 HA LEU 30 HA LEU 30 1.481 1.175 -8.535 201 HB2 LEU 30 1HB LEU 30 -0.264 3.187 -9.847 202 HB3 LEU 30 2HB LEU 30 1.458 3.227 -10.222 203 HG LEU 30 HG LEU 30 -0.569 1.118 -10.857 204 HD11 LEU 30 1HD1 LEU 30 0.936 1.297 -13.012 205 HD12 LEU 30 2HD1 LEU 30 1.327 2.874 -12.327 206 HD13 LEU 30 3HD1 LEU 30 -0.349 2.461 -12.689 207 HD21 LEU 30 1HD2 LEU 30 1.608 -0.136 -11.654 208 HD22 LEU 30 2HD2 LEU 30 0.976 -0.346 -10.020 209 HD23 LEU 30 3HD2 LEU 30 2.332 0.745 -10.308 210 H TRP 31 H TRP 31 3.389 1.847 -7.811 211 HA TRP 31 HA TRP 31 3.770 4.641 -7.066 212 HB2 TRP 31 1HB TRP 31 4.625 4.149 -4.873 213 HB3 TRP 31 2HB TRP 31 3.030 3.413 -5.009 214 HD1 TRP 31 HD TRP 31 6.737 2.500 -4.758 215 HE1 TRP 31 1HE TRP 31 6.930 0.006 -4.152 216 HE3 TRP 31 3HE TRP 31 1.818 1.176 -5.189 217 HZ2 TRP 31 2HZ TRP 31 5.223 -2.227 -3.893 218 HZ3 TRP 31 3HZ TRP 31 1.182 -1.159 -4.746 219 HH2 TRP 31 HH TRP 31 2.851 -2.824 -4.112 220 H GLN 32 H GLN 32 5.727 5.373 -7.636 221 HA GLN 32 HA GLN 32 7.606 3.476 -8.797 222 HB2 GLN 32 1HB GLN 32 8.627 5.333 -9.864 223 HB3 GLN 32 2HB GLN 32 6.893 5.602 -9.967 224 HG2 GLN 32 1HG GLN 32 6.940 7.384 -8.558 225 HG3 GLN 32 2HG GLN 32 8.334 6.782 -7.663 226 HE21 GLN 32 1HE2 GLN 32 7.321 8.274 -10.680 227 HE22 GLN 32 2HE2 GLN 32 8.830 9.043 -11.023 228 H GLU 33 H GLU 33 9.928 3.699 -8.363 229 HA GLU 33 HA GLU 33 10.573 3.369 -5.699 230 HB2 GLU 33 1HB GLU 33 12.132 3.904 -8.171 231 HB3 GLU 33 2HB GLU 33 12.960 4.134 -6.638 232 HG2 GLU 33 1HG GLU 33 13.459 1.957 -6.978 233 HG3 GLU 33 2HG GLU 33 11.920 1.749 -6.146 234 HA PRO 34 HA PRO 34 10.732 7.379 -3.910 235 HB2 PRO 34 1HB PRO 34 12.580 6.956 -1.967 236 HB3 PRO 34 2HB PRO 34 10.935 6.315 -1.884 237 HG2 PRO 34 1HG PRO 34 13.465 4.943 -2.710 238 HG3 PRO 34 2HG PRO 34 12.151 4.342 -1.682 239 HD2 PRO 34 1HD PRO 34 12.392 3.651 -4.288 240 HD3 PRO 34 2HD PRO 34 10.818 3.804 -3.483 241 H GLU 35 H GLU 35 12.045 9.245 -3.689 242 HA GLU 35 HA GLU 35 13.800 9.822 -5.693 243 HB2 GLU 35 1HB GLU 35 13.852 10.977 -2.900 244 HB3 GLU 35 2HB GLU 35 14.594 11.706 -4.317 245 HG2 GLU 35 1HG GLU 35 12.193 11.591 -5.303 246 HG3 GLU 35 2HG GLU 35 11.708 11.450 -3.614 247 H GLN 36 H GLN 36 14.666 8.735 -2.420 248 HA GLN 36 HA GLN 36 17.206 7.747 -3.504 249 HB2 GLN 36 1HB GLN 36 16.826 9.597 -1.172 250 HB3 GLN 36 2HB GLN 36 18.196 8.495 -1.215 251 HG2 GLN 36 1HG GLN 36 18.492 9.548 -3.625 252 HG3 GLN 36 2HG GLN 36 17.624 10.884 -2.871 253 HE21 GLN 36 1HE2 GLN 36 18.623 12.109 -1.329 254 HE22 GLN 36 2HE2 GLN 36 20.299 11.963 -0.938 255 HA PRO 37 HA PRO 37 15.353 4.281 -1.271 256 HB2 PRO 37 1HB PRO 37 16.868 2.399 -2.510 257 HB3 PRO 37 2HB PRO 37 15.422 3.103 -3.243 258 HG2 PRO 37 1HG PRO 37 18.301 3.783 -3.701 259 HG3 PRO 37 2HG PRO 37 16.992 3.602 -4.884 260 HD2 PRO 37 1HD PRO 37 17.848 6.021 -4.019 261 HD3 PRO 37 2HD PRO 37 16.161 5.713 -4.476 262 H ASN 38 H ASN 38 18.694 5.235 -1.613 263 HA ASN 38 HA ASN 38 20.544 4.923 -0.321 264 HB2 ASN 38 1HB ASN 38 18.309 4.889 1.689 265 HB3 ASN 38 2HB ASN 38 19.979 4.668 2.201 266 HD21 ASN 38 1HD2 ASN 38 17.577 6.882 1.342 267 HD22 ASN 38 2HD2 ASN 38 18.546 8.313 1.360 268 H GLY 39 H GLY 39 19.734 2.629 -1.676 269 HA2 GLY 39 1HA GLY 39 21.158 0.587 -1.198 270 HA3 GLY 39 2HA GLY 39 20.235 0.488 0.294 271 H ILE 40 H ILE 40 20.381 -1.598 -1.573 272 HA ILE 40 HA ILE 40 18.240 -1.677 -3.389 273 HB ILE 40 HB ILE 40 19.555 -3.972 -1.932 274 HG12 ILE 40 1HG1 ILE 40 20.559 -4.121 -4.395 275 HG13 ILE 40 2HG1 ILE 40 20.237 -2.390 -4.365 276 HG21 ILE 40 1HG2 ILE 40 17.477 -3.839 -4.036 277 HG22 ILE 40 2HG2 ILE 40 18.729 -5.066 -4.216 278 HG23 ILE 40 3HG2 ILE 40 17.729 -5.033 -2.764 279 HD11 ILE 40 1HD1 ILE 40 22.121 -2.069 -3.264 280 HD12 ILE 40 2HD1 ILE 40 21.527 -3.074 -1.941 281 HD13 ILE 40 3HD1 ILE 40 22.428 -3.805 -3.270 282 H ILE 41 H ILE 41 16.117 -1.937 -3.133 283 HA ILE 41 HA ILE 41 15.075 -2.322 -0.438 284 HB ILE 41 HB ILE 41 13.632 -1.625 -2.999 285 HG12 ILE 41 1HG1 ILE 41 14.056 0.215 -0.665 286 HG13 ILE 41 2HG1 ILE 41 15.313 0.030 -1.884 287 HG21 ILE 41 1HG2 ILE 41 12.444 -2.821 -0.965 288 HG22 ILE 41 2HG2 ILE 41 12.455 -1.186 -0.307 289 HG23 ILE 41 3HG2 ILE 41 11.663 -1.510 -1.849 290 HD11 ILE 41 1HD1 ILE 41 13.058 1.703 -1.948 291 HD12 ILE 41 2HD1 ILE 41 14.270 1.457 -3.206 292 HD13 ILE 41 3HD1 ILE 41 12.812 0.466 -3.180 293 H LEU 42 H LEU 42 14.900 -4.390 0.163 294 HA LEU 42 HA LEU 42 14.717 -6.628 -1.436 295 HB2 LEU 42 1HB LEU 42 13.425 -6.327 1.268 296 HB3 LEU 42 2HB LEU 42 13.955 -7.825 0.506 297 HG LEU 42 HG LEU 42 15.932 -5.668 1.146 298 HD11 LEU 42 1HD1 LEU 42 14.597 -6.134 3.190 299 HD12 LEU 42 2HD1 LEU 42 16.295 -6.589 3.327 300 HD13 LEU 42 3HD1 LEU 42 15.069 -7.828 3.060 301 HD21 LEU 42 1HD2 LEU 42 16.904 -8.262 1.606 302 HD22 LEU 42 2HD2 LEU 42 17.308 -7.176 0.276 303 HD23 LEU 42 3HD2 LEU 42 15.990 -8.335 0.099 304 H GLU 43 H GLU 43 11.992 -5.045 0.243 305 HA GLU 43 HA GLU 43 10.263 -5.508 -2.019 306 HB2 GLU 43 1HB GLU 43 8.622 -6.856 -0.845 307 HB3 GLU 43 2HB GLU 43 10.175 -7.680 -0.850 308 HG2 GLU 43 1HG GLU 43 10.488 -6.574 1.470 309 HG3 GLU 43 2HG GLU 43 8.737 -6.375 1.416 310 H TYR 44 H TYR 44 7.951 -4.772 -1.433 311 HA TYR 44 HA TYR 44 8.179 -2.376 0.263 312 HB2 TYR 44 1HB TYR 44 6.685 -2.903 -2.287 313 HB3 TYR 44 2HB TYR 44 6.158 -1.628 -1.195 314 HD1 TYR 44 1HD TYR 44 9.134 -2.827 -3.085 315 HD2 TYR 44 2HD TYR 44 7.143 0.484 -1.304 316 HE1 TYR 44 1HE TYR 44 10.792 -1.304 -4.076 317 HE2 TYR 44 2HE TYR 44 8.795 2.016 -2.290 318 HH TYR 44 HH TYR 44 10.365 2.014 -4.254 319 H GLU 45 H GLU 45 6.968 -2.293 2.031 320 HA GLU 45 HA GLU 45 4.940 -4.339 2.460 321 HB2 GLU 45 1HB GLU 45 6.807 -3.491 4.130 322 HB3 GLU 45 2HB GLU 45 5.601 -2.269 4.508 323 HG2 GLU 45 1HG GLU 45 4.072 -3.859 5.294 324 HG3 GLU 45 2HG GLU 45 4.955 -5.195 4.557 325 H ILE 46 H ILE 46 2.826 -3.989 2.298 326 HA ILE 46 HA ILE 46 1.894 -1.204 2.073 327 HB ILE 46 HB ILE 46 0.597 -3.707 0.988 328 HG12 ILE 46 1HG1 ILE 46 1.676 -1.504 -0.721 329 HG13 ILE 46 2HG1 ILE 46 2.801 -2.679 -0.049 330 HG21 ILE 46 1HG2 ILE 46 -0.236 -0.857 1.122 331 HG22 ILE 46 2HG2 ILE 46 -0.657 -1.787 -0.315 332 HG23 ILE 46 3HG2 ILE 46 -1.201 -2.325 1.274 333 HD11 ILE 46 1HD1 ILE 46 0.879 -4.301 -1.069 334 HD12 ILE 46 2HD1 ILE 46 0.855 -2.955 -2.210 335 HD13 ILE 46 3HD1 ILE 46 2.357 -3.828 -1.908 336 H LYS 47 H LYS 47 0.341 -0.457 3.404 337 HA LYS 47 HA LYS 47 -0.919 -2.375 5.252 338 HB2 LYS 47 1HB LYS 47 0.742 -1.149 6.493 339 HB3 LYS 47 2HB LYS 47 0.163 0.381 5.849 340 HG2 LYS 47 1HG LYS 47 -2.001 -0.030 7.018 341 HG3 LYS 47 2HG LYS 47 -1.258 -1.440 7.776 342 HD2 LYS 47 1HD LYS 47 0.107 -0.173 9.108 343 HD3 LYS 47 2HD LYS 47 0.163 1.168 7.961 344 HE2 LYS 47 1HE LYS 47 -1.122 2.008 9.708 345 HE3 LYS 47 2HE LYS 47 -2.328 1.476 8.538 346 HZ1 LYS 47 1HZ LYS 47 -2.822 -0.408 9.804 347 HZ2 LYS 47 2HZ LYS 47 -2.699 0.836 10.943 348 HZ3 LYS 47 3HZ LYS 47 -1.429 -0.265 10.753 349 H TYR 48 H TYR 48 -3.031 -2.461 4.910 350 HA TYR 48 HA TYR 48 -4.444 0.030 4.217 351 HB2 TYR 48 1HB TYR 48 -6.049 -1.473 2.939 352 HB3 TYR 48 2HB TYR 48 -4.459 -1.246 2.218 353 HD1 TYR 48 1HD TYR 48 -2.708 -3.074 2.620 354 HD2 TYR 48 2HD TYR 48 -6.860 -3.624 3.365 355 HE1 TYR 48 1HE TYR 48 -2.394 -5.512 2.535 356 HE2 TYR 48 2HE TYR 48 -6.558 -6.064 3.284 357 HH TYR 48 HH TYR 48 -4.867 -7.672 2.191 358 H TYR 49 H TYR 49 -6.333 0.439 5.269 359 HA TYR 49 HA TYR 49 -7.617 -1.605 6.868 360 HB2 TYR 49 1HB TYR 49 -7.393 -0.479 8.983 361 HB3 TYR 49 2HB TYR 49 -5.781 -0.718 8.318 362 HD1 TYR 49 1HD TYR 49 -8.487 1.830 8.585 363 HD2 TYR 49 2HD TYR 49 -4.322 1.089 8.134 364 HE1 TYR 49 1HE TYR 49 -8.039 4.236 8.827 365 HE2 TYR 49 2HE TYR 49 -3.862 3.492 8.376 366 HH TYR 49 HH TYR 49 -6.415 5.857 8.415 367 H GLU 50 H GLU 50 -9.506 -0.552 8.136 368 HA GLU 50 HA GLU 50 -11.066 0.909 6.217 369 HB2 GLU 50 1HB GLU 50 -11.581 -0.324 8.891 370 HB3 GLU 50 2HB GLU 50 -12.720 0.863 8.272 371 HG2 GLU 50 1HG GLU 50 -13.420 -0.488 6.565 372 HG3 GLU 50 2HG GLU 50 -11.904 -1.385 6.506 373 H LYS 51 H LYS 51 -10.914 3.031 5.983 374 HA LYS 51 HA LYS 51 -9.755 4.742 7.939 375 HB2 LYS 51 1HB LYS 51 -9.801 6.353 6.324 376 HB3 LYS 51 2HB LYS 51 -10.012 4.945 5.291 377 HG2 LYS 51 1HG LYS 51 -11.697 6.223 4.486 378 HG3 LYS 51 2HG LYS 51 -12.571 5.434 5.801 379 HD2 LYS 51 1HD LYS 51 -12.217 7.346 7.236 380 HD3 LYS 51 2HD LYS 51 -11.214 8.121 6.008 381 HE2 LYS 51 1HE LYS 51 -13.254 9.170 5.712 382 HE3 LYS 51 2HE LYS 51 -13.314 7.886 4.505 383 HZ1 LYS 51 1HZ LYS 51 -14.347 6.715 6.722 384 HZ2 LYS 51 2HZ LYS 51 -15.247 7.356 5.442 385 HZ3 LYS 51 3HZ LYS 51 -14.956 8.290 6.823 386 H ASP 52 H ASP 52 -12.993 3.740 7.210 387 HA ASP 52 HA ASP 52 -14.284 5.876 8.631 388 HB2 ASP 52 1HB ASP 52 -15.427 3.193 7.828 389 HB3 ASP 52 2HB ASP 52 -16.334 4.640 8.261 390 H LYS 53 H LYS 53 -13.424 2.517 9.326 391 HA LYS 53 HA LYS 53 -14.460 2.758 12.041 392 HB2 LYS 53 1HB LYS 53 -13.154 0.405 10.661 393 HB3 LYS 53 2HB LYS 53 -13.932 0.373 12.238 394 HG2 LYS 53 1HG LYS 53 -15.367 1.093 9.695 395 HG3 LYS 53 2HG LYS 53 -15.296 -0.543 10.354 396 HD2 LYS 53 1HD LYS 53 -16.224 1.733 12.063 397 HD3 LYS 53 2HD LYS 53 -17.329 0.978 10.911 398 HE2 LYS 53 1HE LYS 53 -16.598 -1.240 11.990 399 HE3 LYS 53 2HE LYS 53 -15.972 -0.235 13.296 400 HZ1 LYS 53 1HZ LYS 53 -18.083 -0.682 14.022 401 HZ2 LYS 53 2HZ LYS 53 -18.755 -0.683 12.469 402 HZ3 LYS 53 3HZ LYS 53 -18.346 0.781 13.212 403 H GLU 54 H GLU 54 -11.383 1.966 10.431 404 HA GLU 54 HA GLU 54 -9.220 2.309 11.058 405 HB2 GLU 54 1HB GLU 54 -10.401 4.550 11.875 406 HB3 GLU 54 2HB GLU 54 -9.989 3.900 13.455 407 HG2 GLU 54 1HG GLU 54 -7.764 4.196 13.157 408 HG3 GLU 54 2HG GLU 54 -7.847 3.928 11.417 409 H MET 55 H MET 55 -10.475 -0.002 11.903 410 HA MET 55 HA MET 55 -10.397 -0.634 14.591 411 HB2 MET 55 1HB MET 55 -9.638 -2.982 13.585 412 HB3 MET 55 2HB MET 55 -11.276 -2.369 13.398 413 HG2 MET 55 1HG MET 55 -10.036 -3.332 11.350 414 HG3 MET 55 2HG MET 55 -10.978 -1.853 11.178 415 HE1 MET 55 1HE MET 55 -7.760 -2.742 12.800 416 HE2 MET 55 2HE MET 55 -6.916 -3.053 11.283 417 HE3 MET 55 3HE MET 55 -6.577 -1.581 12.195 418 H GLN 56 H GLN 56 -8.710 -2.455 15.353 419 HA GLN 56 HA GLN 56 -6.167 -1.055 15.472 420 HB2 GLN 56 1HB GLN 56 -7.138 -3.512 16.942 421 HB3 GLN 56 2HB GLN 56 -5.616 -2.685 17.243 422 HG2 GLN 56 1HG GLN 56 -8.383 -1.582 17.661 423 HG3 GLN 56 2HG GLN 56 -7.224 -2.047 18.906 424 HE21 GLN 56 1HE2 GLN 56 -5.492 -0.712 19.356 425 HE22 GLN 56 2HE2 GLN 56 -5.399 0.916 18.786 426 H SER 57 H SER 57 -6.979 -4.516 15.182 427 HA SER 57 HA SER 57 -4.518 -5.237 14.035 428 HB2 SER 57 1HB SER 57 -6.302 -6.735 15.148 429 HB3 SER 57 2HB SER 57 -7.069 -6.768 13.560 430 HG SER 57 HG SER 57 -4.873 -8.096 14.446 431 H TYR 58 H TYR 58 -3.862 -4.218 12.227 432 HA TYR 58 HA TYR 58 -5.724 -3.943 9.985 433 HB2 TYR 58 1HB TYR 58 -3.911 -2.516 9.002 434 HB3 TYR 58 2HB TYR 58 -4.557 -1.916 10.525 435 HD1 TYR 58 2HD TYR 58 -3.211 -2.017 12.573 436 HD2 TYR 58 1HD TYR 58 -1.634 -3.288 8.831 437 HE1 TYR 58 2HE TYR 58 -0.939 -1.938 13.510 438 HE2 TYR 58 1HE TYR 58 0.642 -3.214 9.758 439 HH TYR 58 HH TYR 58 1.467 -3.373 12.623 440 H SER 59 H SER 59 -5.107 -4.586 7.852 441 HA SER 59 HA SER 59 -3.490 -7.022 7.867 442 HB2 SER 59 1HB SER 59 -5.505 -5.917 5.907 443 HB3 SER 59 2HB SER 59 -4.519 -7.338 5.565 444 HG SER 59 HG SER 59 -5.700 -8.480 6.892 445 H THR 60 H THR 60 -1.604 -7.224 6.814 446 HA THR 60 HA THR 60 -0.667 -4.904 5.256 447 HB THR 60 HB THR 60 1.116 -6.913 6.628 448 HG1 THR 60 1HG THR 60 0.458 -4.336 7.630 449 HG21 THR 60 1HG2 THR 60 2.868 -5.488 6.138 450 HG22 THR 60 2HG2 THR 60 1.819 -4.078 5.991 451 HG23 THR 60 3HG2 THR 60 1.853 -5.290 4.710 452 H LEU 61 H LEU 61 0.451 -5.247 3.334 453 HA LEU 61 HA LEU 61 0.407 -8.001 2.293 454 HB2 LEU 61 1HB LEU 61 -1.430 -6.773 1.311 455 HB3 LEU 61 2HB LEU 61 -0.343 -5.466 0.846 456 HG LEU 61 HG LEU 61 0.819 -7.115 -0.662 457 HD11 LEU 61 1HD1 LEU 61 -0.003 -9.148 0.461 458 HD12 LEU 61 2HD1 LEU 61 -0.348 -9.140 -1.269 459 HD13 LEU 61 3HD1 LEU 61 -1.631 -8.783 -0.113 460 HD21 LEU 61 1HD2 LEU 61 -1.956 -7.054 -1.631 461 HD22 LEU 61 2HD2 LEU 61 -0.479 -6.428 -2.366 462 HD23 LEU 61 3HD2 LEU 61 -1.304 -5.500 -1.113 463 H LYS 62 H LYS 62 2.228 -8.686 1.334 464 HA LYS 62 HA LYS 62 4.447 -6.781 1.138 465 HB2 LYS 62 1HB LYS 62 4.306 -9.775 1.381 466 HB3 LYS 62 2HB LYS 62 5.782 -8.976 0.854 467 HG2 LYS 62 1HG LYS 62 5.978 -9.358 3.183 468 HG3 LYS 62 2HG LYS 62 5.699 -7.629 2.963 469 HD2 LYS 62 1HD LYS 62 3.538 -7.741 3.787 470 HD3 LYS 62 2HD LYS 62 3.386 -9.465 3.437 471 HE2 LYS 62 1HE LYS 62 5.319 -8.419 5.485 472 HE3 LYS 62 2HE LYS 62 3.638 -8.768 5.885 473 HZ1 LYS 62 1HZ LYS 62 5.826 -10.572 5.484 474 HZ2 LYS 62 2HZ LYS 62 4.469 -10.998 4.570 475 HZ3 LYS 62 3HZ LYS 62 4.340 -10.833 6.249 476 H ALA 63 H ALA 63 5.206 -6.128 -0.767 477 HA ALA 63 HA ALA 63 4.545 -7.712 -3.162 478 HB1 ALA 63 1HB ALA 63 3.071 -5.881 -3.281 479 HB2 ALA 63 2HB ALA 63 4.317 -4.741 -2.772 480 HB3 ALA 63 3HB ALA 63 4.401 -5.484 -4.369 481 H VAL 64 H VAL 64 6.236 -8.218 -4.398 482 HA VAL 64 HA VAL 64 8.864 -7.275 -3.676 483 HB VAL 64 HB VAL 64 9.666 -8.812 -5.438 484 HG11 VAL 64 1HG1 VAL 64 9.012 -10.876 -4.336 485 HG12 VAL 64 2HG1 VAL 64 9.288 -9.605 -3.143 486 HG13 VAL 64 3HG1 VAL 64 7.642 -10.061 -3.582 487 HG21 VAL 64 1HG2 VAL 64 8.132 -10.229 -6.646 488 HG22 VAL 64 2HG2 VAL 64 6.753 -9.492 -5.830 489 HG23 VAL 64 3HG2 VAL 64 7.725 -8.540 -6.952 490 H THR 65 H THR 65 6.582 -6.803 -6.299 491 HA THR 65 HA THR 65 8.500 -5.103 -7.720 492 HB THR 65 HB THR 65 7.423 -6.644 -9.185 493 HG1 THR 65 1HG THR 65 7.458 -4.846 -10.357 494 HG21 THR 65 1HG2 THR 65 4.812 -5.651 -8.036 495 HG22 THR 65 2HG2 THR 65 5.513 -7.255 -7.823 496 HG23 THR 65 3HG2 THR 65 4.961 -6.739 -9.416 497 H THR 66 H THR 66 7.387 -3.133 -8.809 498 HA THR 66 HA THR 66 6.419 -1.461 -6.679 499 HB THR 66 HB THR 66 6.361 0.319 -8.448 500 HG1 THR 66 1HG THR 66 7.509 -1.723 -10.075 501 HG21 THR 66 1HG2 THR 66 8.397 -0.368 -7.025 502 HG22 THR 66 2HG2 THR 66 8.677 0.640 -8.445 503 HG23 THR 66 3HG2 THR 66 9.010 -1.091 -8.511 504 H ARG 67 H ARG 67 4.829 -3.708 -8.263 505 HA ARG 67 HA ARG 67 2.339 -2.144 -8.353 506 HB2 ARG 67 1HB ARG 67 2.971 -4.419 -10.234 507 HB3 ARG 67 2HB ARG 67 1.584 -3.338 -10.289 508 HG2 ARG 67 1HG ARG 67 2.950 -1.499 -10.948 509 HG3 ARG 67 2HG ARG 67 4.425 -2.428 -10.670 510 HD2 ARG 67 1HD ARG 67 3.894 -3.911 -12.488 511 HD3 ARG 67 2HD ARG 67 2.318 -3.149 -12.701 512 HE ARG 67 HE ARG 67 3.968 -1.083 -13.084 513 HH11 ARG 67 2HH1 ARG 67 4.013 -4.327 -14.347 514 HH12 ARG 67 1HH1 ARG 67 4.777 -3.876 -15.836 515 HH21 ARG 67 2HH2 ARG 67 4.973 -0.476 -15.040 516 HH22 ARG 67 1HH2 ARG 67 5.323 -1.685 -16.228 517 H ALA 68 H ALA 68 0.940 -2.867 -6.903 518 HA ALA 68 HA ALA 68 0.737 -5.750 -6.417 519 HB1 ALA 68 1HB ALA 68 2.203 -4.718 -4.675 520 HB2 ALA 68 2HB ALA 68 0.818 -3.753 -4.164 521 HB3 ALA 68 3HB ALA 68 0.760 -5.511 -4.043 522 H THR 69 H THR 69 -1.289 -6.420 -5.525 523 HA THR 69 HA THR 69 -3.430 -4.407 -5.692 524 HB THR 69 HB THR 69 -3.532 -7.198 -6.852 525 HG1 THR 69 1HG THR 69 -3.797 -4.691 -8.174 526 HG21 THR 69 1HG2 THR 69 -5.700 -6.843 -6.084 527 HG22 THR 69 2HG2 THR 69 -5.773 -6.243 -7.741 528 HG23 THR 69 3HG2 THR 69 -5.633 -5.110 -6.397 529 H VAL 70 H VAL 70 -4.165 -4.237 -3.671 530 HA VAL 70 HA VAL 70 -4.048 -6.355 -1.766 531 HB VAL 70 HB VAL 70 -5.562 -3.742 -1.658 532 HG11 VAL 70 1HG1 VAL 70 -5.664 -4.107 0.752 533 HG12 VAL 70 2HG1 VAL 70 -6.482 -5.406 -0.118 534 HG13 VAL 70 3HG1 VAL 70 -4.874 -5.671 0.557 535 HG21 VAL 70 1HG2 VAL 70 -3.089 -3.563 -1.897 536 HG22 VAL 70 2HG2 VAL 70 -3.711 -2.894 -0.388 537 HG23 VAL 70 3HG2 VAL 70 -2.923 -4.472 -0.395 538 H SER 71 H SER 71 -5.342 -8.062 -1.753 539 HA SER 71 HA SER 71 -8.108 -7.746 -2.714 540 HB2 SER 71 1HB SER 71 -7.124 -9.330 -4.131 541 HB3 SER 71 2HB SER 71 -6.189 -10.058 -2.824 542 HG SER 71 HG SER 71 -7.765 -11.447 -2.780 543 H GLY 72 H GLY 72 -9.757 -9.036 -1.632 544 HA2 GLY 72 1HA GLY 72 -10.667 -10.159 0.211 545 HA3 GLY 72 2HA GLY 72 -9.114 -10.035 1.025 546 H LEU 73 H LEU 73 -10.982 -7.411 -0.430 547 HA LEU 73 HA LEU 73 -11.105 -6.152 2.225 548 HB2 LEU 73 1HB LEU 73 -11.356 -4.864 -0.488 549 HB3 LEU 73 2HB LEU 73 -11.300 -4.033 1.065 550 HG LEU 73 HG LEU 73 -9.024 -5.661 -0.058 551 HD11 LEU 73 1HD1 LEU 73 -9.206 -3.883 -1.557 552 HD12 LEU 73 2HD1 LEU 73 -8.022 -3.328 -0.375 553 HD13 LEU 73 3HD1 LEU 73 -9.684 -2.746 -0.297 554 HD21 LEU 73 1HD2 LEU 73 -8.822 -5.520 2.289 555 HD22 LEU 73 2HD2 LEU 73 -9.329 -3.830 2.309 556 HD23 LEU 73 3HD2 LEU 73 -7.758 -4.272 1.638 557 H LYS 74 H LYS 74 -13.021 -4.516 2.335 558 HA LYS 74 HA LYS 74 -15.441 -6.035 1.667 559 HB2 LYS 74 1HB LYS 74 -14.768 -4.033 3.796 560 HB3 LYS 74 2HB LYS 74 -16.446 -4.306 3.347 561 HG2 LYS 74 1HG LYS 74 -16.412 -6.516 4.092 562 HG3 LYS 74 2HG LYS 74 -14.648 -6.580 4.101 563 HD2 LYS 74 1HD LYS 74 -15.342 -6.426 6.368 564 HD3 LYS 74 2HD LYS 74 -14.702 -4.842 5.922 565 HE2 LYS 74 1HE LYS 74 -16.675 -4.367 7.086 566 HE3 LYS 74 2HE LYS 74 -17.123 -4.217 5.388 567 HZ1 LYS 74 1HZ LYS 74 -18.717 -5.687 5.764 568 HZ2 LYS 74 2HZ LYS 74 -18.196 -5.934 7.353 569 HZ3 LYS 74 3HZ LYS 74 -17.548 -6.864 6.097 570 HA PRO 75 HA PRO 75 -16.581 -3.066 -1.389 571 HB2 PRO 75 1HB PRO 75 -19.232 -3.636 -1.522 572 HB3 PRO 75 2HB PRO 75 -17.988 -4.686 -2.211 573 HG2 PRO 75 1HG PRO 75 -19.443 -4.929 0.394 574 HG3 PRO 75 2HG PRO 75 -19.046 -6.191 -0.788 575 HD2 PRO 75 1HD PRO 75 -17.609 -5.811 1.476 576 HD3 PRO 75 2HD PRO 75 -16.877 -6.390 -0.034 577 H GLY 76 H GLY 76 -17.604 -1.067 -1.593 578 HA2 GLY 76 1HA GLY 76 -18.397 0.951 -0.836 579 HA3 GLY 76 2HA GLY 76 -19.584 -0.006 0.038 580 H THR 77 H THR 77 -16.079 0.031 0.499 581 HA THR 77 HA THR 77 -16.401 1.472 3.021 582 HB THR 77 HB THR 77 -15.136 -1.268 2.838 583 HG1 THR 77 1HG THR 77 -17.551 -0.915 3.086 584 HG21 THR 77 1HG2 THR 77 -15.373 -0.367 5.512 585 HG22 THR 77 2HG2 THR 77 -14.572 0.909 4.595 586 HG23 THR 77 3HG2 THR 77 -13.902 -0.722 4.608 587 H ARG 78 H ARG 78 -15.029 3.113 2.792 588 HA ARG 78 HA ARG 78 -12.843 3.218 1.070 589 HB2 ARG 78 1HB ARG 78 -13.800 4.835 3.369 590 HB3 ARG 78 2HB ARG 78 -12.127 5.064 2.879 591 HG2 ARG 78 1HG ARG 78 -13.062 5.382 0.516 592 HG3 ARG 78 2HG ARG 78 -14.626 5.575 1.312 593 HD2 ARG 78 1HD ARG 78 -13.770 7.426 2.616 594 HD3 ARG 78 2HD ARG 78 -12.160 7.193 1.937 595 HE ARG 78 HE ARG 78 -12.838 8.265 0.020 596 HH11 ARG 78 2HH1 ARG 78 -15.606 7.538 2.002 597 HH12 ARG 78 1HH1 ARG 78 -16.697 8.498 1.059 598 HH21 ARG 78 2HH2 ARG 78 -14.265 9.532 -1.230 599 HH22 ARG 78 1HH2 ARG 78 -15.934 9.631 -0.780 600 H TYR 79 H TYR 79 -10.607 3.087 1.400 601 HA TYR 79 HA TYR 79 -9.707 1.856 3.905 602 HB2 TYR 79 1HB TYR 79 -9.492 0.714 1.151 603 HB3 TYR 79 2HB TYR 79 -8.183 0.426 2.292 604 HD1 TYR 79 2HD TYR 79 -8.641 -0.805 4.406 605 HD2 TYR 79 1HD TYR 79 -11.576 -0.422 1.349 606 HE1 TYR 79 2HE TYR 79 -9.911 -2.660 5.401 607 HE2 TYR 79 1HE TYR 79 -12.855 -2.277 2.337 608 HH TYR 79 HH TYR 79 -13.062 -3.320 4.692 609 H VAL 80 H VAL 80 -7.832 2.650 4.640 610 HA VAL 80 HA VAL 80 -6.470 4.655 3.010 611 HB VAL 80 HB VAL 80 -6.059 3.981 5.927 612 HG11 VAL 80 1HG1 VAL 80 -4.498 5.493 4.148 613 HG12 VAL 80 2HG1 VAL 80 -5.351 6.653 5.169 614 HG13 VAL 80 3HG1 VAL 80 -4.351 5.399 5.903 615 HG21 VAL 80 1HG2 VAL 80 -8.140 4.869 6.064 616 HG22 VAL 80 2HG2 VAL 80 -7.239 6.382 5.978 617 HG23 VAL 80 3HG2 VAL 80 -7.998 5.724 4.528 618 H PHE 81 H PHE 81 -5.045 3.705 1.663 619 HA PHE 81 HA PHE 81 -3.403 1.488 2.552 620 HB2 PHE 81 1HB PHE 81 -3.447 2.982 -0.079 621 HB3 PHE 81 2HB PHE 81 -2.517 1.523 0.245 622 HD1 PHE 81 2HD PHE 81 -5.867 2.898 -0.293 623 HD2 PHE 81 1HD PHE 81 -3.576 -0.630 0.356 624 HE1 PHE 81 2HE PHE 81 -7.793 1.526 -0.971 625 HE2 PHE 81 1HE PHE 81 -5.498 -2.007 -0.322 626 HZ PHE 81 HZ PHE 81 -7.611 -0.930 -0.986 627 H GLN 82 H GLN 82 -1.072 1.514 2.410 628 HA GLN 82 HA GLN 82 0.280 4.064 2.306 629 HB2 GLN 82 1HB GLN 82 0.049 2.496 4.871 630 HB3 GLN 82 2HB GLN 82 1.327 3.672 4.590 631 HG2 GLN 82 1HG GLN 82 -0.641 5.279 4.045 632 HG3 GLN 82 2HG GLN 82 -1.601 4.107 4.945 633 HE21 GLN 82 1HE2 GLN 82 0.977 6.439 5.113 634 HE22 GLN 82 2HE2 GLN 82 1.006 6.581 6.834 635 H VAL 83 H VAL 83 1.846 3.533 0.927 636 HA VAL 83 HA VAL 83 3.117 0.912 1.087 637 HB VAL 83 HB VAL 83 3.535 3.127 -0.926 638 HG11 VAL 83 1HG1 VAL 83 5.256 1.122 -0.403 639 HG12 VAL 83 2HG1 VAL 83 4.202 0.330 -1.577 640 HG13 VAL 83 3HG1 VAL 83 5.031 1.827 -2.004 641 HG21 VAL 83 1HG2 VAL 83 2.134 1.838 -2.414 642 HG22 VAL 83 2HG2 VAL 83 1.928 0.586 -1.189 643 HG23 VAL 83 3HG2 VAL 83 1.245 2.192 -0.932 644 H ARG 84 H ARG 84 5.223 0.565 1.624 645 HA ARG 84 HA ARG 84 6.957 2.855 2.152 646 HB2 ARG 84 1HB ARG 84 7.477 2.213 4.383 647 HB3 ARG 84 2HB ARG 84 5.723 2.254 4.268 648 HG2 ARG 84 1HG ARG 84 5.792 -0.230 3.900 649 HG3 ARG 84 2HG ARG 84 7.508 -0.164 4.308 650 HD2 ARG 84 1HD ARG 84 5.578 1.114 6.171 651 HD3 ARG 84 2HD ARG 84 5.643 -0.647 6.130 652 HE ARG 84 HE ARG 84 7.733 -0.573 7.098 653 HH11 ARG 84 2HH1 ARG 84 6.746 2.626 6.143 654 HH12 ARG 84 1HH1 ARG 84 8.029 3.418 6.997 655 HH21 ARG 84 2HH2 ARG 84 9.427 0.458 8.226 656 HH22 ARG 84 1HH2 ARG 84 9.554 2.184 8.181 657 H ALA 85 H ALA 85 9.201 2.308 2.306 658 HA ALA 85 HA ALA 85 9.836 -0.154 0.848 659 HB1 ALA 85 1HB ALA 85 11.065 2.527 1.040 660 HB2 ALA 85 2HB ALA 85 12.167 1.162 0.850 661 HB3 ALA 85 3HB ALA 85 10.901 1.447 -0.345 662 H ARG 86 H ARG 86 11.194 -1.701 1.633 663 HA ARG 86 HA ARG 86 12.206 -1.316 4.374 664 HB2 ARG 86 1HB ARG 86 10.287 -2.846 4.353 665 HB3 ARG 86 2HB ARG 86 11.095 -3.852 3.158 666 HG2 ARG 86 1HG ARG 86 12.560 -4.728 4.679 667 HG3 ARG 86 2HG ARG 86 12.480 -3.315 5.733 668 HD2 ARG 86 1HD ARG 86 11.312 -4.902 6.944 669 HD3 ARG 86 2HD ARG 86 10.021 -4.042 6.104 670 HE ARG 86 HE ARG 86 10.555 -6.066 4.419 671 HH11 ARG 86 2HH1 ARG 86 9.956 -5.966 7.847 672 HH12 ARG 86 1HH1 ARG 86 9.244 -7.545 7.900 673 HH21 ARG 86 2HH2 ARG 86 9.620 -8.145 4.476 674 HH22 ARG 86 1HH2 ARG 86 9.054 -8.784 5.982 675 H THR 87 H THR 87 14.329 -1.538 4.587 676 HA THR 87 HA THR 87 15.794 -3.078 2.544 677 HB THR 87 HB THR 87 17.728 -1.518 3.000 678 HG1 THR 87 1HG THR 87 17.230 -0.430 4.816 679 HG21 THR 87 1HG2 THR 87 15.428 0.074 1.940 680 HG22 THR 87 2HG2 THR 87 15.953 -1.378 1.088 681 HG23 THR 87 3HG2 THR 87 17.080 -0.046 1.337 682 H SER 88 H SER 88 17.829 -4.013 3.261 683 HA SER 88 HA SER 88 17.596 -5.507 5.594 684 HB2 SER 88 1HB SER 88 19.083 -6.030 3.635 685 HB3 SER 88 2HB SER 88 20.200 -4.800 4.226 686 HG SER 88 HG SER 88 20.418 -6.008 6.139 687 H ALA 89 H ALA 89 19.432 -2.534 4.997 688 HA ALA 89 HA ALA 89 20.759 -2.297 7.410 689 HB1 ALA 89 1HB ALA 89 20.183 -0.615 5.189 690 HB2 ALA 89 2HB ALA 89 19.906 0.298 6.672 691 HB3 ALA 89 3HB ALA 89 21.470 -0.464 6.386 692 H GLY 90 H GLY 90 17.510 -1.089 6.580 693 HA2 GLY 90 1HA GLY 90 16.531 -1.549 9.217 694 HA3 GLY 90 2HA GLY 90 16.862 0.157 8.957 695 H CYS 91 H CYS 91 14.987 1.159 8.652 696 HA CYS 91 HA CYS 91 13.276 0.291 6.471 697 HB2 CYS 91 1HB CYS 91 11.253 0.208 7.757 698 HB3 CYS 91 2HB CYS 91 12.421 -0.852 8.537 699 HG CYS 91 HG CYS 91 12.338 2.295 9.716 700 H GLY 92 H GLY 92 11.459 1.925 6.131 701 HA2 GLY 92 1HA GLY 92 12.528 4.621 6.695 702 HA3 GLY 92 2HA GLY 92 11.685 4.189 5.215 703 H ARG 93 H ARG 93 9.940 5.489 5.268 704 HA ARG 93 HA ARG 93 8.169 5.246 7.610 705 HB2 ARG 93 1HB ARG 93 8.887 7.666 5.978 706 HB3 ARG 93 2HB ARG 93 7.370 7.593 6.865 707 HG2 ARG 93 1HG ARG 93 8.555 7.320 8.950 708 HG3 ARG 93 2HG ARG 93 10.098 7.263 8.095 709 HD2 ARG 93 1HD ARG 93 9.557 9.566 7.217 710 HD3 ARG 93 2HD ARG 93 8.210 9.593 8.354 711 HE ARG 93 HE ARG 93 9.698 9.973 10.050 712 HH11 ARG 93 2HH1 ARG 93 11.427 8.832 7.253 713 HH12 ARG 93 1HH1 ARG 93 12.991 9.123 7.939 714 HH21 ARG 93 2HH2 ARG 93 11.752 10.361 10.965 715 HH22 ARG 93 1HH2 ARG 93 13.175 9.991 10.051 716 H PHE 94 H PHE 94 5.858 5.733 7.089 717 HA PHE 94 HA PHE 94 5.093 4.228 4.747 718 HB2 PHE 94 1HB PHE 94 3.729 5.242 7.185 719 HB3 PHE 94 2HB PHE 94 2.730 4.984 5.758 720 HD1 PHE 94 1HD PHE 94 3.165 2.654 4.558 721 HD2 PHE 94 2HD PHE 94 3.971 3.499 8.651 722 HE1 PHE 94 1HE PHE 94 3.046 0.251 5.074 723 HE2 PHE 94 2HE PHE 94 3.854 1.098 9.173 724 HZ PHE 94 HZ PHE 94 3.392 -0.530 7.384 725 H SER 95 H SER 95 4.046 4.968 2.952 726 HA SER 95 HA SER 95 4.526 7.568 2.070 727 HB2 SER 95 1HB SER 95 2.885 7.019 0.248 728 HB3 SER 95 2HB SER 95 4.143 5.804 0.473 729 HG SER 95 HG SER 95 1.433 5.702 1.270 730 H GLN 96 H GLN 96 2.545 8.894 1.114 731 HA GLN 96 HA GLN 96 1.246 10.053 3.336 732 HB2 GLN 96 1HB GLN 96 1.119 10.411 0.377 733 HB3 GLN 96 2HB GLN 96 -0.165 11.110 1.356 734 HG2 GLN 96 1HG GLN 96 1.287 12.559 2.450 735 HG3 GLN 96 2HG GLN 96 2.711 11.621 2.001 736 HE21 GLN 96 1HE2 GLN 96 0.432 14.021 1.020 737 HE22 GLN 96 2HE2 GLN 96 1.234 14.495 -0.435 738 H ALA 97 H ALA 97 -0.791 9.859 4.135 739 HA ALA 97 HA ALA 97 -2.168 7.454 3.880 740 HB1 ALA 97 1HB ALA 97 -3.200 8.261 5.668 741 HB2 ALA 97 2HB ALA 97 -2.421 9.821 5.400 742 HB3 ALA 97 3HB ALA 97 -3.997 9.488 4.681 743 H MET 98 H MET 98 -2.852 6.787 1.918 744 HA MET 98 HA MET 98 -4.302 8.641 0.190 745 HB2 MET 98 1HB MET 98 -2.615 7.334 -0.917 746 HB3 MET 98 2HB MET 98 -3.264 5.840 -0.255 747 HG2 MET 98 1HG MET 98 -5.014 5.782 -1.724 748 HG3 MET 98 2HG MET 98 -5.022 7.529 -1.953 749 HE1 MET 98 1HE MET 98 -4.525 4.365 -3.650 750 HE2 MET 98 2HE MET 98 -5.407 5.672 -4.438 751 HE3 MET 98 3HE MET 98 -3.951 5.014 -5.186 752 H GLU 99 H GLU 99 -6.449 8.618 -0.054 753 HA GLU 99 HA GLU 99 -7.960 6.530 1.352 754 HB2 GLU 99 1HB GLU 99 -8.817 9.279 0.432 755 HB3 GLU 99 2HB GLU 99 -9.850 8.128 1.268 756 HG2 GLU 99 1HG GLU 99 -8.635 8.319 3.264 757 HG3 GLU 99 2HG GLU 99 -7.280 9.109 2.460 758 H VAL 100 H VAL 100 -9.005 5.037 0.224 759 HA VAL 100 HA VAL 100 -10.006 5.676 -2.451 760 HB VAL 100 HB VAL 100 -8.287 3.268 -1.842 761 HG11 VAL 100 1HG1 VAL 100 -8.584 2.803 -4.291 762 HG12 VAL 100 2HG1 VAL 100 -10.028 2.562 -3.305 763 HG13 VAL 100 3HG1 VAL 100 -9.867 4.013 -4.295 764 HG21 VAL 100 1HG2 VAL 100 -7.617 5.075 -4.063 765 HG22 VAL 100 2HG2 VAL 100 -7.434 5.764 -2.450 766 HG23 VAL 100 3HG2 VAL 100 -6.569 4.290 -2.882 767 H GLU 101 H GLU 101 -11.910 4.706 -2.953 768 HA GLU 101 HA GLU 101 -13.042 2.908 -0.915 769 HB2 GLU 101 1HB GLU 101 -14.060 5.264 -1.538 770 HB3 GLU 101 2HB GLU 101 -14.757 4.366 -2.879 771 HG2 GLU 101 1HG GLU 101 -15.535 2.723 -1.018 772 HG3 GLU 101 2HG GLU 101 -15.274 4.105 0.045 773 H THR 102 H THR 102 -14.306 1.130 -1.582 774 HA THR 102 HA THR 102 -13.529 0.092 -4.207 775 HB THR 102 HB THR 102 -14.308 -2.098 -3.353 776 HG1 THR 102 1HG THR 102 -14.683 -0.707 -0.891 777 HG21 THR 102 1HG2 THR 102 -12.099 -2.108 -2.905 778 HG22 THR 102 2HG2 THR 102 -12.616 -1.930 -1.228 779 HG23 THR 102 3HG2 THR 102 -12.143 -0.510 -2.160 780 H GLY 103 H GLY 103 -15.227 -1.371 -5.260 781 HA2 GLY 103 1HA GLY 103 -17.452 0.209 -5.974 782 HA3 GLY 103 2HA GLY 103 -17.214 -1.479 -6.404 783 H LYS 104 H LYS 104 -19.213 0.606 -4.827 784 HA LYS 104 HA LYS 104 -19.967 -0.646 -2.476 785 HB2 LYS 104 1HB LYS 104 -21.512 0.967 -4.489 786 HB3 LYS 104 2HB LYS 104 -22.294 0.318 -3.053 787 HG2 LYS 104 1HG LYS 104 -20.318 1.488 -1.807 788 HG3 LYS 104 2HG LYS 104 -20.222 2.445 -3.287 789 HD2 LYS 104 1HD LYS 104 -22.551 3.096 -3.043 790 HD3 LYS 104 2HD LYS 104 -22.703 2.083 -1.605 791 HE2 LYS 104 1HE LYS 104 -20.670 4.285 -1.778 792 HE3 LYS 104 2HE LYS 104 -22.330 4.600 -1.275 793 HZ1 LYS 104 1HZ LYS 104 -20.204 3.171 0.121 794 HZ2 LYS 104 2HZ LYS 104 -21.777 2.578 0.314 795 HZ3 LYS 104 3HZ LYS 104 -21.418 4.177 0.737 796 HA PRO 105 HA PRO 105 -21.814 -4.469 -3.611 797 HB2 PRO 105 1HB PRO 105 -23.607 -4.755 -1.594 798 HB3 PRO 105 2HB PRO 105 -21.866 -4.955 -1.366 799 HG2 PRO 105 1HG PRO 105 -23.596 -2.588 -0.760 800 HG3 PRO 105 2HG PRO 105 -22.293 -3.300 0.210 801 HD2 PRO 105 1HD PRO 105 -21.938 -1.083 -1.304 802 HD3 PRO 105 2HD PRO 105 -20.641 -2.262 -1.018 803 H SER 106 H SER 106 -24.077 -1.883 -2.696 804 HA SER 106 HA SER 106 -26.462 -2.787 -3.574 805 HB2 SER 106 1HB SER 106 -25.211 -0.065 -3.814 806 HB3 SER 106 2HB SER 106 -26.835 -0.359 -4.434 807 HG SER 106 HG SER 106 -26.474 0.357 -2.109 808 H GLY 107 H GLY 107 -23.994 -1.311 -5.678 809 HA2 GLY 107 1HA GLY 107 -25.273 -2.697 -7.950 810 HA3 GLY 107 2HA GLY 107 -24.704 -1.040 -8.086 811 HA PRO 108 HA PRO 108 -21.362 -3.999 -9.477 812 HB2 PRO 108 1HB PRO 108 -21.010 -2.876 -11.923 813 HB3 PRO 108 2HB PRO 108 -22.191 -4.155 -11.614 814 HG2 PRO 108 1HG PRO 108 -22.609 -1.197 -11.807 815 HG3 PRO 108 2HG PRO 108 -23.590 -2.512 -12.480 816 HD2 PRO 108 1HD PRO 108 -24.269 -1.204 -10.209 817 HD3 PRO 108 2HD PRO 108 -24.650 -2.918 -10.474 818 H SER 109 H SER 109 -21.590 -0.541 -10.338 819 HA SER 109 HA SER 109 -18.901 -0.174 -9.192 820 HB2 SER 109 1HB SER 109 -20.020 0.835 -11.791 821 HB3 SER 109 2HB SER 109 -18.739 1.724 -10.968 822 HG SER 109 HG SER 109 -18.036 -0.819 -10.985 823 H SER 110 H SER 110 -18.465 1.928 -8.317 824 HA SER 110 HA SER 110 -20.851 3.547 -7.745 825 HB2 SER 110 1HB SER 110 -20.384 3.661 -5.429 826 HB3 SER 110 2HB SER 110 -20.194 1.957 -5.840 827 HG SER 110 HG SER 110 -18.077 3.841 -5.661 828 H GLY 111 H GLY 111 -20.529 5.569 -8.373 829 HA2 GLY 111 1HA GLY 111 -17.987 6.879 -7.824 830 HA3 GLY 111 2HA GLY 111 -18.422 6.732 -9.520 Start of MODEL 7 1 H1 GLY 1 H GLY 1 37.388 -7.477 6.226 2 HA2 GLY 1 1HA GLY 1 37.316 -6.638 3.612 3 HA3 GLY 1 2HA GLY 1 35.634 -6.923 4.033 4 H SER 2 H SER 2 38.532 -5.263 5.268 5 HA SER 2 HA SER 2 37.317 -3.554 7.063 6 HB2 SER 2 1HB SER 2 39.262 -2.095 6.791 7 HB3 SER 2 2HB SER 2 39.766 -3.785 6.803 8 HG SER 2 HG SER 2 39.912 -3.698 4.541 9 H SER 3 H SER 3 37.908 -3.011 3.600 10 HA SER 3 HA SER 3 36.297 -0.579 3.691 11 HB2 SER 3 1HB SER 3 38.111 -1.807 1.629 12 HB3 SER 3 2HB SER 3 36.987 -0.520 1.194 13 HG SER 3 HG SER 3 39.104 -0.428 3.073 14 H GLY 4 H GLY 4 34.454 -0.257 2.405 15 HA2 GLY 4 1HA GLY 4 33.100 -1.395 0.557 16 HA3 GLY 4 2HA GLY 4 33.102 -2.768 1.654 17 H SER 5 H SER 5 31.678 -2.833 3.332 18 HA SER 5 HA SER 5 29.314 -1.377 3.171 19 HB2 SER 5 1HB SER 5 29.762 -3.593 4.388 20 HB3 SER 5 2HB SER 5 30.309 -2.604 5.741 21 HG SER 5 HG SER 5 27.738 -2.816 4.615 22 H SER 6 H SER 6 28.989 0.708 3.518 23 HA SER 6 HA SER 6 30.815 2.292 5.070 24 HB2 SER 6 1HB SER 6 29.903 3.354 3.145 25 HB3 SER 6 2HB SER 6 28.253 2.930 3.604 26 HG SER 6 HG SER 6 29.974 4.757 4.930 27 H GLY 7 H GLY 7 27.447 1.231 5.417 28 HA2 GLY 7 1HA GLY 7 27.444 0.863 8.135 29 HA3 GLY 7 2HA GLY 7 27.070 2.567 7.923 30 H GLN 8 H GLN 8 24.964 2.727 8.398 31 HA GLN 8 HA GLN 8 23.099 1.156 6.769 32 HB2 GLN 8 1HB GLN 8 23.004 1.497 9.764 33 HB3 GLN 8 2HB GLN 8 21.601 1.018 8.818 34 HG2 GLN 8 1HG GLN 8 22.464 -0.991 9.584 35 HG3 GLN 8 2HG GLN 8 23.080 -0.875 7.936 36 HE21 GLN 8 1HE2 GLN 8 24.822 -2.207 8.311 37 HE22 GLN 8 2HE2 GLN 8 26.168 -1.737 9.285 38 H ALA 9 H ALA 9 21.653 2.401 5.784 39 HA ALA 9 HA ALA 9 20.879 4.950 7.020 40 HB1 ALA 9 1HB ALA 9 21.746 6.213 5.409 41 HB2 ALA 9 2HB ALA 9 22.602 4.779 4.842 42 HB3 ALA 9 3HB ALA 9 21.037 5.203 4.149 43 H ALA 10 H ALA 10 18.746 5.232 7.051 44 HA ALA 10 HA ALA 10 16.958 3.295 6.065 45 HB1 ALA 10 1HB ALA 10 15.410 4.389 7.267 46 HB2 ALA 10 2HB ALA 10 16.787 5.301 7.887 47 HB3 ALA 10 3HB ALA 10 15.821 5.953 6.563 48 HA PRO 11 HA PRO 11 16.440 4.518 1.862 49 HB2 PRO 11 1HB PRO 11 14.035 3.349 1.392 50 HB3 PRO 11 2HB PRO 11 15.539 2.431 1.529 51 HG2 PRO 11 1HG PRO 11 13.402 2.883 3.576 52 HG3 PRO 11 2HG PRO 11 14.276 1.392 3.182 53 HD2 PRO 11 1HD PRO 11 14.910 2.932 5.318 54 HD3 PRO 11 2HD PRO 11 16.124 2.001 4.418 55 H SER 12 H SER 12 14.981 5.728 0.461 56 HA SER 12 HA SER 12 13.888 8.000 1.779 57 HB2 SER 12 1HB SER 12 14.205 7.104 -1.039 58 HB3 SER 12 2HB SER 12 12.978 8.328 -0.720 59 HG SER 12 HG SER 12 14.540 9.711 -0.607 60 H GLN 13 H GLN 13 11.785 8.617 2.093 61 HA GLN 13 HA GLN 13 9.850 6.515 2.301 62 HB2 GLN 13 1HB GLN 13 9.956 8.296 3.972 63 HB3 GLN 13 2HB GLN 13 9.577 9.493 2.741 64 HG2 GLN 13 1HG GLN 13 7.436 8.066 2.388 65 HG3 GLN 13 2HG GLN 13 7.809 7.445 3.995 66 HE21 GLN 13 1HE2 GLN 13 6.014 9.634 2.426 67 HE22 GLN 13 2HE2 GLN 13 5.850 10.841 3.651 68 H VAL 14 H VAL 14 8.588 5.824 0.718 69 HA VAL 14 HA VAL 14 8.444 6.935 -1.831 70 HB VAL 14 HB VAL 14 6.496 5.091 -0.444 71 HG11 VAL 14 1HG1 VAL 14 5.545 6.377 -2.397 72 HG12 VAL 14 2HG1 VAL 14 6.730 5.548 -3.409 73 HG13 VAL 14 3HG1 VAL 14 5.506 4.620 -2.542 74 HG21 VAL 14 1HG2 VAL 14 7.802 3.644 -2.350 75 HG22 VAL 14 2HG2 VAL 14 9.069 4.739 -1.799 76 HG23 VAL 14 3HG2 VAL 14 8.242 3.695 -0.643 77 H VAL 15 H VAL 15 7.523 8.740 -2.520 78 HA VAL 15 HA VAL 15 5.184 9.781 -1.057 79 HB VAL 15 HB VAL 15 5.837 12.008 -2.064 80 HG11 VAL 15 1HG1 VAL 15 7.758 12.317 -0.428 81 HG12 VAL 15 2HG1 VAL 15 6.241 11.707 0.237 82 HG13 VAL 15 3HG1 VAL 15 7.582 10.601 -0.062 83 HG21 VAL 15 1HG2 VAL 15 8.117 12.298 -2.827 84 HG22 VAL 15 2HG2 VAL 15 8.446 10.582 -2.583 85 HG23 VAL 15 3HG2 VAL 15 7.303 11.093 -3.825 86 H VAL 16 H VAL 16 5.558 7.928 -3.507 87 HA VAL 16 HA VAL 16 3.658 9.374 -5.234 88 HB VAL 16 HB VAL 16 5.694 9.298 -6.470 89 HG11 VAL 16 1HG1 VAL 16 5.836 6.320 -6.068 90 HG12 VAL 16 2HG1 VAL 16 7.055 7.383 -6.774 91 HG13 VAL 16 3HG1 VAL 16 6.699 7.471 -5.048 92 HG21 VAL 16 1HG2 VAL 16 3.927 8.882 -7.931 93 HG22 VAL 16 2HG2 VAL 16 5.074 7.593 -8.299 94 HG23 VAL 16 3HG2 VAL 16 3.660 7.257 -7.299 95 H ILE 17 H ILE 17 1.747 8.437 -4.884 96 HA ILE 17 HA ILE 17 1.553 5.535 -5.220 97 HB ILE 17 HB ILE 17 0.559 7.093 -2.857 98 HG12 ILE 17 1HG1 ILE 17 1.801 4.345 -3.055 99 HG13 ILE 17 2HG1 ILE 17 2.730 5.821 -2.815 100 HG21 ILE 17 1HG2 ILE 17 -0.552 4.470 -3.846 101 HG22 ILE 17 2HG2 ILE 17 -0.909 5.209 -2.286 102 HG23 ILE 17 3HG2 ILE 17 -1.410 6.010 -3.776 103 HD11 ILE 17 1HD1 ILE 17 1.420 6.215 -0.736 104 HD12 ILE 17 2HD1 ILE 17 0.694 4.623 -0.958 105 HD13 ILE 17 3HD1 ILE 17 2.432 4.771 -0.703 106 H ARG 18 H ARG 18 0.061 5.057 -6.684 107 HA ARG 18 HA ARG 18 -2.310 6.765 -6.929 108 HB2 ARG 18 1HB ARG 18 -1.899 6.139 -9.531 109 HB3 ARG 18 2HB ARG 18 -1.378 7.646 -8.789 110 HG2 ARG 18 1HG ARG 18 0.830 7.013 -8.728 111 HG3 ARG 18 2HG ARG 18 0.447 5.291 -8.742 112 HD2 ARG 18 1HD ARG 18 -0.293 5.498 -11.080 113 HD3 ARG 18 2HD ARG 18 0.150 7.204 -11.055 114 HE ARG 18 HE ARG 18 2.278 5.367 -10.375 115 HH11 ARG 18 2HH1 ARG 18 0.675 7.166 -12.887 116 HH12 ARG 18 1HH1 ARG 18 2.041 7.146 -13.953 117 HH21 ARG 18 2HH2 ARG 18 4.083 5.333 -11.769 118 HH22 ARG 18 1HH2 ARG 18 3.978 6.102 -13.317 119 H GLN 19 H GLN 19 -3.946 5.690 -8.457 120 HA GLN 19 HA GLN 19 -4.007 2.815 -7.832 121 HB2 GLN 19 1HB GLN 19 -5.787 4.346 -6.853 122 HB3 GLN 19 2HB GLN 19 -6.388 4.543 -8.493 123 HG2 GLN 19 1HG GLN 19 -6.752 2.124 -8.639 124 HG3 GLN 19 2HG GLN 19 -6.186 1.950 -6.979 125 HE21 GLN 19 1HE2 GLN 19 -8.433 4.096 -8.701 126 HE22 GLN 19 2HE2 GLN 19 -9.741 3.897 -7.590 127 H GLU 20 H GLU 20 -4.065 1.376 -9.441 128 HA GLU 20 HA GLU 20 -4.046 2.368 -12.177 129 HB2 GLU 20 1HB GLU 20 -3.103 -0.059 -10.788 130 HB3 GLU 20 2HB GLU 20 -3.717 -0.318 -12.415 131 HG2 GLU 20 1HG GLU 20 -2.147 1.755 -12.929 132 HG3 GLU 20 2HG GLU 20 -1.311 1.146 -11.502 133 H ARG 21 H ARG 21 -5.900 0.147 -10.142 134 HA ARG 21 HA ARG 21 -8.244 0.557 -11.767 135 HB2 ARG 21 1HB ARG 21 -7.064 -2.218 -11.535 136 HB3 ARG 21 2HB ARG 21 -8.617 -1.819 -12.257 137 HG2 ARG 21 1HG ARG 21 -7.360 -0.393 -13.905 138 HG3 ARG 21 2HG ARG 21 -5.878 -1.106 -13.265 139 HD2 ARG 21 1HD ARG 21 -6.390 -2.428 -15.121 140 HD3 ARG 21 2HD ARG 21 -6.981 -3.366 -13.750 141 HE ARG 21 HE ARG 21 -9.095 -1.808 -14.652 142 HH11 ARG 21 2HH1 ARG 21 -7.078 -4.385 -15.837 143 HH12 ARG 21 1HH1 ARG 21 -8.298 -5.036 -16.880 144 HH21 ARG 21 2HH2 ARG 21 -10.711 -2.656 -16.021 145 HH22 ARG 21 1HH2 ARG 21 -10.364 -4.051 -16.985 146 H ALA 22 H ALA 22 -9.993 0.547 -10.505 147 HA ALA 22 HA ALA 22 -9.720 -0.525 -7.785 148 HB1 ALA 22 1HB ALA 22 -11.866 0.905 -7.465 149 HB2 ALA 22 2HB ALA 22 -10.295 1.701 -7.568 150 HB3 ALA 22 3HB ALA 22 -11.362 1.672 -8.972 151 H GLY 23 H GLY 23 -10.869 -2.238 -7.141 152 HA2 GLY 23 1HA GLY 23 -12.976 -3.223 -8.957 153 HA3 GLY 23 2HA GLY 23 -11.984 -4.248 -7.932 154 H GLN 24 H GLN 24 -14.494 -4.811 -7.679 155 HA GLN 24 HA GLN 24 -15.962 -3.183 -5.861 156 HB2 GLN 24 1HB GLN 24 -16.895 -4.906 -7.493 157 HB3 GLN 24 2HB GLN 24 -16.392 -6.129 -6.334 158 HG2 GLN 24 1HG GLN 24 -17.773 -4.677 -4.656 159 HG3 GLN 24 2HG GLN 24 -18.553 -4.094 -6.126 160 HE21 GLN 24 1HE2 GLN 24 -18.380 -6.572 -3.830 161 HE22 GLN 24 2HE2 GLN 24 -19.473 -7.679 -4.582 162 H THR 25 H THR 25 -14.164 -6.229 -5.486 163 HA THR 25 HA THR 25 -14.120 -5.741 -2.579 164 HB THR 25 HB THR 25 -13.693 -8.210 -2.362 165 HG1 THR 25 1HG THR 25 -13.090 -8.404 -4.670 166 HG21 THR 25 1HG2 THR 25 -15.861 -7.775 -1.792 167 HG22 THR 25 2HG2 THR 25 -16.150 -8.755 -3.229 168 HG23 THR 25 3HG2 THR 25 -16.224 -6.997 -3.332 169 H SER 26 H SER 26 -12.265 -5.197 -5.095 170 HA SER 26 HA SER 26 -9.802 -5.710 -3.602 171 HB2 SER 26 1HB SER 26 -8.683 -6.409 -5.759 172 HB3 SER 26 2HB SER 26 -9.841 -7.571 -5.111 173 HG SER 26 HG SER 26 -10.801 -7.423 -6.963 174 H VAL 27 H VAL 27 -7.929 -4.502 -4.574 175 HA VAL 27 HA VAL 27 -8.602 -2.218 -6.224 176 HB VAL 27 HB VAL 27 -7.738 -1.874 -3.352 177 HG11 VAL 27 1HG1 VAL 27 -7.918 0.630 -4.113 178 HG12 VAL 27 2HG1 VAL 27 -6.425 -0.279 -4.355 179 HG13 VAL 27 3HG1 VAL 27 -7.545 -0.045 -5.698 180 HG21 VAL 27 1HG2 VAL 27 -10.080 -2.054 -3.437 181 HG22 VAL 27 2HG2 VAL 27 -9.758 -0.320 -3.387 182 HG23 VAL 27 3HG2 VAL 27 -10.185 -1.094 -4.913 183 H SER 28 H SER 28 -6.920 -1.651 -7.459 184 HA SER 28 HA SER 28 -4.346 -2.936 -6.934 185 HB2 SER 28 1HB SER 28 -5.351 -3.239 -9.164 186 HB3 SER 28 2HB SER 28 -5.333 -1.492 -9.408 187 HG SER 28 HG SER 28 -2.915 -1.953 -8.807 188 H LEU 29 H LEU 29 -2.445 -1.830 -6.681 189 HA LEU 29 HA LEU 29 -2.682 1.089 -6.363 190 HB2 LEU 29 1HB LEU 29 -1.131 -0.965 -4.829 191 HB3 LEU 29 2HB LEU 29 -0.644 0.729 -4.823 192 HG LEU 29 HG LEU 29 -3.302 -0.338 -3.870 193 HD11 LEU 29 1HD1 LEU 29 -1.011 -0.685 -2.566 194 HD12 LEU 29 2HD1 LEU 29 -2.523 -0.311 -1.739 195 HD13 LEU 29 3HD1 LEU 29 -1.355 0.970 -2.061 196 HD21 LEU 29 1HD2 LEU 29 -2.168 2.408 -4.178 197 HD22 LEU 29 2HD2 LEU 29 -3.293 2.067 -2.862 198 HD23 LEU 29 3HD2 LEU 29 -3.790 1.814 -4.537 199 H LEU 30 H LEU 30 -0.561 2.254 -6.618 200 HA LEU 30 HA LEU 30 1.372 0.988 -8.369 201 HB2 LEU 30 1HB LEU 30 -0.500 1.834 -9.822 202 HB3 LEU 30 2HB LEU 30 -0.076 3.461 -9.295 203 HG LEU 30 HG LEU 30 2.036 3.350 -10.397 204 HD11 LEU 30 1HD1 LEU 30 1.386 0.458 -10.942 205 HD12 LEU 30 2HD1 LEU 30 2.659 1.077 -9.891 206 HD13 LEU 30 3HD1 LEU 30 2.750 1.337 -11.632 207 HD21 LEU 30 1HD2 LEU 30 0.252 2.049 -12.407 208 HD22 LEU 30 2HD2 LEU 30 1.329 3.434 -12.588 209 HD23 LEU 30 3HD2 LEU 30 -0.198 3.611 -11.721 210 H TRP 31 H TRP 31 3.266 1.556 -7.553 211 HA TRP 31 HA TRP 31 3.765 4.355 -6.892 212 HB2 TRP 31 1HB TRP 31 4.639 3.906 -4.716 213 HB3 TRP 31 2HB TRP 31 3.053 3.144 -4.793 214 HD1 TRP 31 HD TRP 31 6.769 2.312 -4.551 215 HE1 TRP 31 1HE TRP 31 7.023 -0.174 -3.931 216 HE3 TRP 31 3HE TRP 31 1.887 0.861 -4.999 217 HZ2 TRP 31 2HZ TRP 31 5.372 -2.448 -3.668 218 HZ3 TRP 31 3HZ TRP 31 1.309 -1.488 -4.546 219 HH2 TRP 31 HH TRP 31 3.016 -3.106 -3.895 220 H GLN 32 H GLN 32 5.680 5.003 -7.640 221 HA GLN 32 HA GLN 32 7.487 3.006 -8.747 222 HB2 GLN 32 1HB GLN 32 8.469 4.762 -9.994 223 HB3 GLN 32 2HB GLN 32 6.737 5.070 -10.018 224 HG2 GLN 32 1HG GLN 32 6.905 6.933 -8.719 225 HG3 GLN 32 2HG GLN 32 8.350 6.360 -7.889 226 HE21 GLN 32 1HE2 GLN 32 9.873 7.815 -8.236 227 HE22 GLN 32 2HE2 GLN 32 10.310 8.476 -9.772 228 H GLU 33 H GLU 33 9.866 3.373 -8.486 229 HA GLU 33 HA GLU 33 10.655 3.107 -5.855 230 HB2 GLU 33 1HB GLU 33 12.059 3.680 -8.407 231 HB3 GLU 33 2HB GLU 33 12.952 3.984 -6.924 232 HG2 GLU 33 1HG GLU 33 13.549 1.831 -7.237 233 HG3 GLU 33 2HG GLU 33 12.056 1.555 -6.343 234 HA PRO 34 HA PRO 34 10.689 7.143 -4.116 235 HB2 PRO 34 1HB PRO 34 12.620 6.822 -2.234 236 HB3 PRO 34 2HB PRO 34 11.008 6.112 -2.087 237 HG2 PRO 34 1HG PRO 34 13.564 4.839 -2.988 238 HG3 PRO 34 2HG PRO 34 12.313 4.196 -1.908 239 HD2 PRO 34 1HD PRO 34 12.493 3.485 -4.514 240 HD3 PRO 34 2HD PRO 34 10.943 3.580 -3.655 241 H GLU 35 H GLU 35 12.292 8.907 -3.462 242 HA GLU 35 HA GLU 35 13.820 9.645 -5.693 243 HB2 GLU 35 1HB GLU 35 13.858 10.679 -2.855 244 HB3 GLU 35 2HB GLU 35 14.729 11.436 -4.181 245 HG2 GLU 35 1HG GLU 35 12.468 11.579 -5.353 246 HG3 GLU 35 2HG GLU 35 11.769 11.207 -3.779 247 H GLN 36 H GLN 36 14.803 8.336 -2.545 248 HA GLN 36 HA GLN 36 17.250 7.333 -3.758 249 HB2 GLN 36 1HB GLN 36 17.146 9.430 -1.639 250 HB3 GLN 36 2HB GLN 36 18.418 8.219 -1.552 251 HG2 GLN 36 1HG GLN 36 18.836 8.857 -4.032 252 HG3 GLN 36 2HG GLN 36 17.944 10.320 -3.616 253 HE21 GLN 36 1HE2 GLN 36 19.530 11.798 -3.638 254 HE22 GLN 36 2HE2 GLN 36 20.930 11.755 -2.627 255 HA PRO 37 HA PRO 37 15.540 4.106 -1.092 256 HB2 PRO 37 1HB PRO 37 16.856 2.085 -2.338 257 HB3 PRO 37 2HB PRO 37 15.362 2.789 -2.966 258 HG2 PRO 37 1HG PRO 37 18.194 3.326 -3.773 259 HG3 PRO 37 2HG PRO 37 16.761 3.109 -4.795 260 HD2 PRO 37 1HD PRO 37 17.777 5.550 -4.208 261 HD3 PRO 37 2HD PRO 37 16.042 5.274 -4.462 262 H ASN 38 H ASN 38 18.809 5.036 -1.765 263 HA ASN 38 HA ASN 38 20.762 4.823 -0.618 264 HB2 ASN 38 1HB ASN 38 18.668 4.762 1.506 265 HB3 ASN 38 2HB ASN 38 20.322 4.369 1.964 266 HD21 ASN 38 1HD2 ASN 38 18.463 6.699 2.468 267 HD22 ASN 38 2HD2 ASN 38 19.416 8.087 2.079 268 H GLY 39 H GLY 39 19.995 2.533 -1.972 269 HA2 GLY 39 1HA GLY 39 21.530 0.552 -1.688 270 HA3 GLY 39 2HA GLY 39 20.775 0.376 -0.111 271 H ILE 40 H ILE 40 20.485 -1.835 -1.185 272 HA ILE 40 HA ILE 40 18.354 -2.011 -3.124 273 HB ILE 40 HB ILE 40 19.741 -4.189 -1.557 274 HG12 ILE 40 1HG1 ILE 40 20.676 -4.585 -3.974 275 HG13 ILE 40 2HG1 ILE 40 20.245 -2.895 -4.215 276 HG21 ILE 40 1HG2 ILE 40 17.371 -4.243 -3.139 277 HG22 ILE 40 2HG2 ILE 40 18.635 -5.145 -3.973 278 HG23 ILE 40 3HG2 ILE 40 18.188 -5.576 -2.322 279 HD11 ILE 40 1HD1 ILE 40 22.640 -3.609 -3.409 280 HD12 ILE 40 2HD1 ILE 40 21.868 -2.141 -2.809 281 HD13 ILE 40 3HD1 ILE 40 21.858 -3.607 -1.828 282 H ILE 41 H ILE 41 16.249 -2.250 -2.725 283 HA ILE 41 HA ILE 41 15.371 -2.393 0.053 284 HB ILE 41 HB ILE 41 13.787 -1.885 -2.468 285 HG12 ILE 41 1HG1 ILE 41 14.484 0.071 -0.278 286 HG13 ILE 41 2HG1 ILE 41 15.481 -0.135 -1.715 287 HG21 ILE 41 1HG2 ILE 41 12.877 -2.754 0.018 288 HG22 ILE 41 2HG2 ILE 41 12.555 -1.021 -0.009 289 HG23 ILE 41 3HG2 ILE 41 11.913 -2.057 -1.284 290 HD11 ILE 41 1HD1 ILE 41 13.949 0.853 -3.085 291 HD12 ILE 41 2HD1 ILE 41 12.582 0.409 -2.062 292 HD13 ILE 41 3HD1 ILE 41 13.648 1.729 -1.584 293 H LEU 42 H LEU 42 14.750 -4.238 0.945 294 HA LEU 42 HA LEU 42 14.724 -6.704 -0.320 295 HB2 LEU 42 1HB LEU 42 13.202 -5.878 2.147 296 HB3 LEU 42 2HB LEU 42 13.541 -7.537 1.660 297 HG LEU 42 HG LEU 42 15.832 -5.681 2.093 298 HD11 LEU 42 1HD1 LEU 42 15.838 -5.957 4.430 299 HD12 LEU 42 2HD1 LEU 42 14.528 -7.135 4.376 300 HD13 LEU 42 3HD1 LEU 42 14.203 -5.439 4.021 301 HD21 LEU 42 1HD2 LEU 42 16.391 -7.831 1.278 302 HD22 LEU 42 2HD2 LEU 42 15.315 -8.627 2.426 303 HD23 LEU 42 3HD2 LEU 42 16.785 -7.836 2.998 304 H GLU 43 H GLU 43 11.839 -4.932 0.818 305 HA GLU 43 HA GLU 43 10.403 -5.536 -1.597 306 HB2 GLU 43 1HB GLU 43 8.644 -6.869 -0.591 307 HB3 GLU 43 2HB GLU 43 10.195 -7.666 -0.367 308 HG2 GLU 43 1HG GLU 43 10.289 -6.809 1.929 309 HG3 GLU 43 2HG GLU 43 8.710 -6.060 1.700 310 H TYR 44 H TYR 44 8.146 -4.679 -1.505 311 HA TYR 44 HA TYR 44 8.096 -2.267 0.174 312 HB2 TYR 44 1HB TYR 44 6.949 -2.914 -2.525 313 HB3 TYR 44 2HB TYR 44 6.282 -1.596 -1.567 314 HD1 TYR 44 2HD TYR 44 7.661 0.381 -1.049 315 HD2 TYR 44 1HD TYR 44 9.092 -2.720 -3.587 316 HE1 TYR 44 2HE TYR 44 9.426 1.880 -1.875 317 HE2 TYR 44 1HE TYR 44 10.862 -1.229 -4.420 318 HH TYR 44 HH TYR 44 11.685 0.841 -4.406 319 H GLU 45 H GLU 45 6.795 -2.314 1.871 320 HA GLU 45 HA GLU 45 4.664 -4.273 2.041 321 HB2 GLU 45 1HB GLU 45 6.007 -2.416 3.957 322 HB3 GLU 45 2HB GLU 45 4.403 -3.018 4.352 323 HG2 GLU 45 1HG GLU 45 6.681 -4.832 3.626 324 HG3 GLU 45 2HG GLU 45 6.358 -4.314 5.279 325 H ILE 46 H ILE 46 2.484 -3.704 2.648 326 HA ILE 46 HA ILE 46 1.678 -0.973 1.931 327 HB ILE 46 HB ILE 46 0.244 -3.436 0.937 328 HG12 ILE 46 1HG1 ILE 46 1.612 -1.531 -0.903 329 HG13 ILE 46 2HG1 ILE 46 2.608 -2.698 -0.040 330 HG21 ILE 46 1HG2 ILE 46 -1.444 -1.977 0.783 331 HG22 ILE 46 2HG2 ILE 46 -0.385 -0.588 1.019 332 HG23 ILE 46 3HG2 ILE 46 -0.555 -1.304 -0.583 333 HD11 ILE 46 1HD1 ILE 46 1.252 -4.515 -0.967 334 HD12 ILE 46 2HD1 ILE 46 0.298 -3.330 -1.860 335 HD13 ILE 46 3HD1 ILE 46 2.011 -3.537 -2.223 336 H LYS 47 H LYS 47 0.358 -0.106 3.385 337 HA LYS 47 HA LYS 47 -0.927 -1.881 5.340 338 HB2 LYS 47 1HB LYS 47 0.495 -0.285 6.400 339 HB3 LYS 47 2HB LYS 47 -0.164 1.035 5.442 340 HG2 LYS 47 1HG LYS 47 -2.148 1.091 6.657 341 HG3 LYS 47 2HG LYS 47 -1.900 -0.529 7.314 342 HD2 LYS 47 1HD LYS 47 -0.213 0.220 8.787 343 HD3 LYS 47 2HD LYS 47 -0.059 1.765 7.947 344 HE2 LYS 47 1HE LYS 47 -2.360 2.332 8.659 345 HE3 LYS 47 2HE LYS 47 -2.422 0.824 9.570 346 HZ1 LYS 47 1HZ LYS 47 -0.603 1.588 10.933 347 HZ2 LYS 47 2HZ LYS 47 -1.850 2.731 10.964 348 HZ3 LYS 47 3HZ LYS 47 -0.468 3.013 10.030 349 H TYR 48 H TYR 48 -3.011 -2.284 5.058 350 HA TYR 48 HA TYR 48 -4.730 -0.148 3.990 351 HB2 TYR 48 1HB TYR 48 -6.000 -1.809 2.718 352 HB3 TYR 48 2HB TYR 48 -4.312 -1.799 2.217 353 HD1 TYR 48 1HD TYR 48 -2.841 -3.676 2.764 354 HD2 TYR 48 2HD TYR 48 -6.958 -3.723 3.835 355 HE1 TYR 48 1HE TYR 48 -2.703 -6.099 3.167 356 HE2 TYR 48 2HE TYR 48 -6.831 -6.145 4.242 357 HH TYR 48 HH TYR 48 -5.320 -8.076 3.395 358 H TYR 49 H TYR 49 -6.485 0.262 5.173 359 HA TYR 49 HA TYR 49 -7.711 -1.794 6.805 360 HB2 TYR 49 1HB TYR 49 -7.448 -0.715 8.907 361 HB3 TYR 49 2HB TYR 49 -5.843 -0.779 8.188 362 HD1 TYR 49 1HD TYR 49 -8.662 1.419 9.055 363 HD2 TYR 49 2HD TYR 49 -4.688 1.230 7.549 364 HE1 TYR 49 1HE TYR 49 -8.444 3.852 9.344 365 HE2 TYR 49 2HE TYR 49 -4.458 3.662 7.835 366 HH TYR 49 HH TYR 49 -6.448 5.492 9.690 367 H GLU 50 H GLU 50 -9.764 -1.119 7.715 368 HA GLU 50 HA GLU 50 -11.355 0.305 5.925 369 HB2 GLU 50 1HB GLU 50 -11.702 -0.777 8.665 370 HB3 GLU 50 2HB GLU 50 -12.855 0.448 8.152 371 HG2 GLU 50 1HG GLU 50 -13.795 -0.892 6.570 372 HG3 GLU 50 2HG GLU 50 -12.313 -1.808 6.305 373 H LYS 51 H LYS 51 -11.440 2.400 5.508 374 HA LYS 51 HA LYS 51 -10.115 4.366 7.018 375 HB2 LYS 51 1HB LYS 51 -10.414 4.909 4.769 376 HB3 LYS 51 2HB LYS 51 -12.110 4.441 4.781 377 HG2 LYS 51 1HG LYS 51 -12.231 6.738 4.677 378 HG3 LYS 51 2HG LYS 51 -12.395 6.435 6.408 379 HD2 LYS 51 1HD LYS 51 -10.229 7.154 6.865 380 HD3 LYS 51 2HD LYS 51 -9.701 6.932 5.195 381 HE2 LYS 51 1HE LYS 51 -9.884 9.265 5.520 382 HE3 LYS 51 2HE LYS 51 -11.298 8.792 4.580 383 HZ1 LYS 51 1HZ LYS 51 -11.854 8.638 7.352 384 HZ2 LYS 51 2HZ LYS 51 -12.623 9.561 6.162 385 HZ3 LYS 51 3HZ LYS 51 -11.269 10.178 6.967 386 H ASP 52 H ASP 52 -13.483 3.331 6.938 387 HA ASP 52 HA ASP 52 -14.274 5.369 8.846 388 HB2 ASP 52 1HB ASP 52 -16.485 3.956 8.699 389 HB3 ASP 52 2HB ASP 52 -16.012 5.006 7.366 390 H LYS 53 H LYS 53 -12.456 2.840 9.280 391 HA LYS 53 HA LYS 53 -13.459 2.345 11.968 392 HB2 LYS 53 1HB LYS 53 -12.819 0.070 10.083 393 HB3 LYS 53 2HB LYS 53 -13.311 -0.076 11.765 394 HG2 LYS 53 1HG LYS 53 -15.093 1.323 9.824 395 HG3 LYS 53 2HG LYS 53 -15.040 -0.441 9.860 396 HD2 LYS 53 1HD LYS 53 -15.748 -0.502 12.126 397 HD3 LYS 53 2HD LYS 53 -15.507 1.236 12.317 398 HE2 LYS 53 1HE LYS 53 -17.304 1.628 10.667 399 HE3 LYS 53 2HE LYS 53 -17.570 -0.112 10.576 400 HZ1 LYS 53 1HZ LYS 53 -18.146 1.737 12.792 401 HZ2 LYS 53 2HZ LYS 53 -17.867 0.101 13.119 402 HZ3 LYS 53 3HZ LYS 53 -19.139 0.554 12.100 403 H GLU 54 H GLU 54 -11.807 0.716 13.068 404 HA GLU 54 HA GLU 54 -9.094 0.972 12.133 405 HB2 GLU 54 1HB GLU 54 -10.182 2.731 14.257 406 HB3 GLU 54 2HB GLU 54 -8.609 2.011 14.569 407 HG2 GLU 54 1HG GLU 54 -7.742 2.963 12.511 408 HG3 GLU 54 2HG GLU 54 -9.324 3.650 12.148 409 H MET 55 H MET 55 -8.467 -1.066 12.422 410 HA MET 55 HA MET 55 -9.368 -2.557 14.761 411 HB2 MET 55 1HB MET 55 -7.907 -3.369 12.250 412 HB3 MET 55 2HB MET 55 -8.184 -4.472 13.591 413 HG2 MET 55 1HG MET 55 -9.979 -4.999 12.321 414 HG3 MET 55 2HG MET 55 -10.681 -3.679 13.253 415 HE1 MET 55 1HE MET 55 -11.020 -0.924 11.768 416 HE2 MET 55 2HE MET 55 -12.261 -1.723 10.802 417 HE3 MET 55 3HE MET 55 -11.973 -2.234 12.466 418 H GLN 56 H GLN 56 -8.086 -3.148 16.424 419 HA GLN 56 HA GLN 56 -5.889 -1.779 17.210 420 HB2 GLN 56 1HB GLN 56 -6.427 -4.706 17.742 421 HB3 GLN 56 2HB GLN 56 -5.314 -3.700 18.660 422 HG2 GLN 56 1HG GLN 56 -8.251 -3.118 18.403 423 HG3 GLN 56 2HG GLN 56 -7.552 -4.068 19.713 424 HE21 GLN 56 1HE2 GLN 56 -8.611 -2.316 20.963 425 HE22 GLN 56 2HE2 GLN 56 -7.696 -0.885 21.276 426 H SER 57 H SER 57 -5.932 -4.601 15.102 427 HA SER 57 HA SER 57 -3.056 -4.187 14.603 428 HB2 SER 57 1HB SER 57 -3.599 -6.360 15.711 429 HB3 SER 57 2HB SER 57 -4.585 -6.783 14.311 430 HG SER 57 HG SER 57 -2.259 -7.495 14.415 431 H TYR 58 H TYR 58 -3.022 -2.970 12.800 432 HA TYR 58 HA TYR 58 -4.910 -3.125 10.705 433 HB2 TYR 58 1HB TYR 58 -3.331 -1.706 9.452 434 HB3 TYR 58 2HB TYR 58 -3.581 -1.114 11.090 435 HD1 TYR 58 2HD TYR 58 -1.806 -1.444 12.803 436 HD2 TYR 58 1HD TYR 58 -1.180 -2.408 8.707 437 HE1 TYR 58 2HE TYR 58 0.624 -1.460 13.184 438 HE2 TYR 58 1HE TYR 58 1.251 -2.429 9.077 439 HH TYR 58 HH TYR 58 2.898 -1.829 10.527 440 H SER 59 H SER 59 -4.585 -3.844 8.527 441 HA SER 59 HA SER 59 -3.036 -6.319 8.420 442 HB2 SER 59 1HB SER 59 -5.159 -5.215 6.565 443 HB3 SER 59 2HB SER 59 -4.349 -6.767 6.351 444 HG SER 59 HG SER 59 -5.172 -6.921 8.751 445 H THR 60 H THR 60 -1.198 -6.499 7.323 446 HA THR 60 HA THR 60 -0.480 -4.342 5.446 447 HB THR 60 HB THR 60 1.514 -6.093 6.873 448 HG1 THR 60 1HG THR 60 -0.058 -4.489 8.118 449 HG21 THR 60 1HG2 THR 60 1.648 -4.003 4.911 450 HG22 THR 60 2HG2 THR 60 2.951 -4.987 5.578 451 HG23 THR 60 3HG2 THR 60 2.474 -3.493 6.382 452 H LEU 61 H LEU 61 0.592 -4.883 3.523 453 HA LEU 61 HA LEU 61 0.565 -7.740 2.814 454 HB2 LEU 61 1HB LEU 61 -1.342 -6.787 1.758 455 HB3 LEU 61 2HB LEU 61 -0.415 -5.394 1.204 456 HG LEU 61 HG LEU 61 0.913 -7.117 -0.188 457 HD11 LEU 61 1HD1 LEU 61 -0.604 -8.924 1.154 458 HD12 LEU 61 2HD1 LEU 61 0.175 -9.223 -0.400 459 HD13 LEU 61 3HD1 LEU 61 -1.521 -8.744 -0.342 460 HD21 LEU 61 1HD2 LEU 61 -1.411 -5.586 -0.664 461 HD22 LEU 61 2HD2 LEU 61 -1.616 -7.122 -1.506 462 HD23 LEU 61 3HD2 LEU 61 -0.199 -6.122 -1.828 463 H LYS 62 H LYS 62 2.383 -8.488 1.920 464 HA LYS 62 HA LYS 62 4.567 -6.618 1.465 465 HB2 LYS 62 1HB LYS 62 4.400 -9.615 1.692 466 HB3 LYS 62 2HB LYS 62 5.861 -8.816 1.127 467 HG2 LYS 62 1HG LYS 62 6.211 -9.165 3.408 468 HG3 LYS 62 2HG LYS 62 5.760 -7.463 3.281 469 HD2 LYS 62 1HD LYS 62 3.741 -7.782 4.300 470 HD3 LYS 62 2HD LYS 62 3.589 -9.442 3.722 471 HE2 LYS 62 1HE LYS 62 5.752 -8.819 5.665 472 HE3 LYS 62 2HE LYS 62 4.094 -8.885 6.260 473 HZ1 LYS 62 1HZ LYS 62 5.692 -11.038 5.025 474 HZ2 LYS 62 2HZ LYS 62 4.003 -11.120 5.060 475 HZ3 LYS 62 3HZ LYS 62 4.877 -11.043 6.507 476 H ALA 63 H ALA 63 5.261 -6.002 -0.480 477 HA ALA 63 HA ALA 63 4.388 -7.545 -2.833 478 HB1 ALA 63 1HB ALA 63 4.355 -4.572 -2.415 479 HB2 ALA 63 2HB ALA 63 4.339 -5.294 -4.024 480 HB3 ALA 63 3HB ALA 63 3.029 -5.633 -2.893 481 H VAL 64 H VAL 64 5.940 -8.077 -4.246 482 HA VAL 64 HA VAL 64 8.668 -7.259 -3.664 483 HB VAL 64 HB VAL 64 9.278 -8.923 -5.426 484 HG11 VAL 64 1HG1 VAL 64 8.975 -9.411 -2.939 485 HG12 VAL 64 2HG1 VAL 64 7.454 -10.178 -3.397 486 HG13 VAL 64 3HG1 VAL 64 8.980 -10.789 -4.039 487 HG21 VAL 64 1HG2 VAL 64 7.598 -10.402 -6.323 488 HG22 VAL 64 2HG2 VAL 64 6.334 -9.582 -5.405 489 HG23 VAL 64 3HG2 VAL 64 7.166 -8.736 -6.710 490 H THR 65 H THR 65 6.229 -6.828 -6.139 491 HA THR 65 HA THR 65 8.111 -5.351 -7.826 492 HB THR 65 HB THR 65 6.817 -6.846 -9.121 493 HG1 THR 65 1HG THR 65 5.185 -5.075 -10.032 494 HG21 THR 65 1HG2 THR 65 4.338 -6.868 -9.059 495 HG22 THR 65 2HG2 THR 65 4.390 -5.747 -7.698 496 HG23 THR 65 3HG2 THR 65 5.066 -7.367 -7.533 497 H THR 66 H THR 66 7.191 -3.324 -8.865 498 HA THR 66 HA THR 66 6.417 -1.521 -6.757 499 HB THR 66 HB THR 66 6.529 0.222 -8.566 500 HG1 THR 66 1HG THR 66 6.747 -0.392 -10.584 501 HG21 THR 66 1HG2 THR 66 8.912 0.240 -8.678 502 HG22 THR 66 2HG2 THR 66 8.997 -1.507 -8.453 503 HG23 THR 66 3HG2 THR 66 8.474 -0.471 -7.125 504 H ARG 67 H ARG 67 4.576 -3.633 -8.149 505 HA ARG 67 HA ARG 67 2.227 -1.911 -8.109 506 HB2 ARG 67 1HB ARG 67 2.561 -3.842 -10.390 507 HB3 ARG 67 2HB ARG 67 1.405 -2.527 -10.226 508 HG2 ARG 67 1HG ARG 67 3.125 -0.892 -10.561 509 HG3 ARG 67 2HG ARG 67 4.373 -2.139 -10.535 510 HD2 ARG 67 1HD ARG 67 3.328 -3.152 -12.545 511 HD3 ARG 67 2HD ARG 67 2.196 -1.801 -12.593 512 HE ARG 67 HE ARG 67 4.541 -0.528 -12.636 513 HH11 ARG 67 2HH1 ARG 67 3.391 -3.272 -14.443 514 HH12 ARG 67 1HH1 ARG 67 4.356 -2.923 -15.838 515 HH21 ARG 67 2HH2 ARG 67 5.817 -0.057 -14.467 516 HH22 ARG 67 1HH2 ARG 67 5.736 -1.094 -15.851 517 H ALA 68 H ALA 68 0.849 -2.826 -6.752 518 HA ALA 68 HA ALA 68 0.509 -5.742 -6.818 519 HB1 ALA 68 1HB ALA 68 1.627 -5.835 -4.874 520 HB2 ALA 68 2HB ALA 68 1.424 -4.111 -4.558 521 HB3 ALA 68 3HB ALA 68 0.119 -5.236 -4.181 522 H THR 69 H THR 69 -1.513 -6.426 -5.667 523 HA THR 69 HA THR 69 -3.598 -4.355 -5.749 524 HB THR 69 HB THR 69 -3.854 -7.108 -6.977 525 HG1 THR 69 1HG THR 69 -3.538 -4.507 -8.063 526 HG21 THR 69 1HG2 THR 69 -6.025 -5.885 -7.842 527 HG22 THR 69 2HG2 THR 69 -5.810 -4.941 -6.368 528 HG23 THR 69 3HG2 THR 69 -6.002 -6.692 -6.274 529 H VAL 70 H VAL 70 -4.269 -4.236 -3.702 530 HA VAL 70 HA VAL 70 -4.174 -6.432 -1.883 531 HB VAL 70 HB VAL 70 -5.583 -3.771 -1.618 532 HG11 VAL 70 1HG1 VAL 70 -6.559 -4.759 0.139 533 HG12 VAL 70 2HG1 VAL 70 -5.440 -6.123 0.115 534 HG13 VAL 70 3HG1 VAL 70 -4.979 -4.616 0.909 535 HG21 VAL 70 1HG2 VAL 70 -3.669 -2.889 -0.715 536 HG22 VAL 70 2HG2 VAL 70 -3.048 -4.462 -0.212 537 HG23 VAL 70 3HG2 VAL 70 -2.978 -3.988 -1.909 538 H SER 71 H SER 71 -5.481 -8.126 -2.190 539 HA SER 71 HA SER 71 -8.270 -7.650 -2.970 540 HB2 SER 71 1HB SER 71 -7.334 -9.223 -4.445 541 HB3 SER 71 2HB SER 71 -6.461 -10.049 -3.154 542 HG SER 71 HG SER 71 -8.509 -10.747 -2.358 543 H GLY 72 H GLY 72 -9.946 -8.972 -1.928 544 HA2 GLY 72 1HA GLY 72 -10.840 -10.153 -0.104 545 HA3 GLY 72 2HA GLY 72 -9.300 -9.994 0.726 546 H LEU 73 H LEU 73 -11.308 -7.464 -0.731 547 HA LEU 73 HA LEU 73 -11.515 -6.234 1.937 548 HB2 LEU 73 1HB LEU 73 -11.645 -4.833 -0.725 549 HB3 LEU 73 2HB LEU 73 -11.579 -4.086 0.870 550 HG LEU 73 HG LEU 73 -9.326 -5.788 -0.148 551 HD11 LEU 73 1HD1 LEU 73 -8.310 -4.003 -1.218 552 HD12 LEU 73 2HD1 LEU 73 -9.351 -2.811 -0.442 553 HD13 LEU 73 3HD1 LEU 73 -9.995 -3.847 -1.715 554 HD21 LEU 73 1HD2 LEU 73 -8.044 -4.681 1.490 555 HD22 LEU 73 2HD2 LEU 73 -9.563 -5.101 2.281 556 HD23 LEU 73 3HD2 LEU 73 -9.279 -3.447 1.737 557 H LYS 74 H LYS 74 -13.435 -4.605 1.978 558 HA LYS 74 HA LYS 74 -15.804 -6.078 1.054 559 HB2 LYS 74 1HB LYS 74 -15.448 -4.085 3.297 560 HB3 LYS 74 2HB LYS 74 -17.004 -4.744 2.810 561 HG2 LYS 74 1HG LYS 74 -16.540 -6.830 3.648 562 HG3 LYS 74 2HG LYS 74 -14.793 -6.614 3.513 563 HD2 LYS 74 1HD LYS 74 -15.244 -6.520 5.818 564 HD3 LYS 74 2HD LYS 74 -15.039 -4.837 5.325 565 HE2 LYS 74 1HE LYS 74 -17.322 -4.394 5.463 566 HE3 LYS 74 2HE LYS 74 -17.755 -6.101 5.378 567 HZ1 LYS 74 1HZ LYS 74 -17.906 -6.018 7.578 568 HZ2 LYS 74 2HZ LYS 74 -17.176 -4.495 7.663 569 HZ3 LYS 74 3HZ LYS 74 -16.220 -5.889 7.631 570 HA PRO 75 HA PRO 75 -16.817 -2.868 -1.783 571 HB2 PRO 75 1HB PRO 75 -19.489 -3.302 -1.986 572 HB3 PRO 75 2HB PRO 75 -18.285 -4.366 -2.722 573 HG2 PRO 75 1HG PRO 75 -19.790 -4.698 -0.156 574 HG3 PRO 75 2HG PRO 75 -19.434 -5.902 -1.408 575 HD2 PRO 75 1HD PRO 75 -18.017 -5.730 0.893 576 HD3 PRO 75 2HD PRO 75 -17.288 -6.250 -0.640 577 H GLY 76 H GLY 76 -18.036 -0.892 -1.976 578 HA2 GLY 76 1HA GLY 76 -18.654 1.138 -1.074 579 HA3 GLY 76 2HA GLY 76 -19.888 0.175 -0.276 580 H THR 77 H THR 77 -16.361 0.493 0.131 581 HA THR 77 HA THR 77 -16.708 1.633 2.767 582 HB THR 77 HB THR 77 -15.461 -1.101 2.429 583 HG1 THR 77 1HG THR 77 -17.923 -0.278 3.107 584 HG21 THR 77 1HG2 THR 77 -14.059 0.004 3.962 585 HG22 THR 77 2HG2 THR 77 -15.204 -0.884 4.966 586 HG23 THR 77 3HG2 THR 77 -15.409 0.850 4.717 587 H ARG 78 H ARG 78 -15.314 3.266 2.700 588 HA ARG 78 HA ARG 78 -13.143 3.512 0.975 589 HB2 ARG 78 1HB ARG 78 -14.081 4.925 3.410 590 HB3 ARG 78 2HB ARG 78 -12.402 5.177 2.952 591 HG2 ARG 78 1HG ARG 78 -13.331 5.709 0.618 592 HG3 ARG 78 2HG ARG 78 -14.887 5.868 1.435 593 HD2 ARG 78 1HD ARG 78 -13.706 7.464 3.027 594 HD3 ARG 78 2HD ARG 78 -12.379 7.468 1.866 595 HE ARG 78 HE ARG 78 -14.630 8.051 0.405 596 HH11 ARG 78 2HH1 ARG 78 -12.986 9.435 3.144 597 HH12 ARG 78 1HH1 ARG 78 -13.482 11.056 2.787 598 HH21 ARG 78 2HH2 ARG 78 -15.289 10.181 -0.075 599 HH22 ARG 78 1HH2 ARG 78 -14.792 11.480 0.957 600 H TYR 79 H TYR 79 -10.990 3.074 1.116 601 HA TYR 79 HA TYR 79 -10.035 1.724 3.549 602 HB2 TYR 79 1HB TYR 79 -9.926 0.789 0.713 603 HB3 TYR 79 2HB TYR 79 -8.592 0.384 1.787 604 HD1 TYR 79 2HD TYR 79 -9.167 -0.812 3.983 605 HD2 TYR 79 1HD TYR 79 -11.885 -0.487 0.725 606 HE1 TYR 79 2HE TYR 79 -10.456 -2.707 4.877 607 HE2 TYR 79 1HE TYR 79 -13.182 -2.379 1.611 608 HH TYR 79 HH TYR 79 -13.559 -3.541 3.689 609 H VAL 80 H VAL 80 -8.185 2.503 4.328 610 HA VAL 80 HA VAL 80 -6.783 4.553 2.805 611 HB VAL 80 HB VAL 80 -6.324 3.663 5.655 612 HG11 VAL 80 1HG1 VAL 80 -4.504 4.915 4.295 613 HG12 VAL 80 2HG1 VAL 80 -5.554 6.317 4.510 614 HG13 VAL 80 3HG1 VAL 80 -4.907 5.474 5.918 615 HG21 VAL 80 1HG2 VAL 80 -8.498 4.515 5.662 616 HG22 VAL 80 2HG2 VAL 80 -7.504 5.898 6.118 617 HG23 VAL 80 3HG2 VAL 80 -8.115 5.758 4.470 618 H PHE 81 H PHE 81 -5.138 3.990 1.554 619 HA PHE 81 HA PHE 81 -3.577 1.600 2.234 620 HB2 PHE 81 1HB PHE 81 -3.797 3.142 -0.360 621 HB3 PHE 81 2HB PHE 81 -2.766 1.735 -0.116 622 HD1 PHE 81 2HD PHE 81 -6.203 2.918 -0.499 623 HD2 PHE 81 1HD PHE 81 -3.701 -0.482 0.045 624 HE1 PHE 81 2HE PHE 81 -8.077 1.446 -1.110 625 HE2 PHE 81 1HE PHE 81 -5.571 -1.960 -0.566 626 HZ PHE 81 HZ PHE 81 -7.763 -0.996 -1.143 627 H GLN 82 H GLN 82 -1.293 1.647 2.190 628 HA GLN 82 HA GLN 82 0.096 4.159 1.920 629 HB2 GLN 82 1HB GLN 82 -0.443 2.925 4.588 630 HB3 GLN 82 2HB GLN 82 1.102 3.720 4.318 631 HG2 GLN 82 1HG GLN 82 -0.101 5.770 3.669 632 HG3 GLN 82 2HG GLN 82 -1.624 4.964 4.041 633 HE21 GLN 82 1HE2 GLN 82 -0.141 7.328 5.194 634 HE22 GLN 82 2HE2 GLN 82 -0.117 7.025 6.894 635 H VAL 83 H VAL 83 1.777 3.569 0.729 636 HA VAL 83 HA VAL 83 2.985 0.932 1.137 637 HB VAL 83 HB VAL 83 3.404 2.927 -1.094 638 HG11 VAL 83 1HG1 VAL 83 5.373 1.737 -1.106 639 HG12 VAL 83 2HG1 VAL 83 4.618 0.271 -0.480 640 HG13 VAL 83 3HG1 VAL 83 4.368 0.744 -2.161 641 HG21 VAL 83 1HG2 VAL 83 2.218 1.086 -2.410 642 HG22 VAL 83 2HG2 VAL 83 1.702 0.464 -0.843 643 HG23 VAL 83 3HG2 VAL 83 1.228 2.085 -1.347 644 H ARG 84 H ARG 84 5.278 0.692 1.278 645 HA ARG 84 HA ARG 84 6.929 3.008 1.751 646 HB2 ARG 84 1HB ARG 84 7.546 2.428 4.039 647 HB3 ARG 84 2HB ARG 84 5.822 2.758 3.928 648 HG2 ARG 84 1HG ARG 84 5.277 0.462 4.086 649 HG3 ARG 84 2HG ARG 84 6.958 -0.022 3.850 650 HD2 ARG 84 1HD ARG 84 7.343 1.428 6.004 651 HD3 ARG 84 2HD ARG 84 5.626 1.120 6.261 652 HE ARG 84 HE ARG 84 6.748 -1.333 5.724 653 HH11 ARG 84 2HH1 ARG 84 7.187 1.177 8.096 654 HH12 ARG 84 1HH1 ARG 84 7.698 0.089 9.344 655 HH21 ARG 84 2HH2 ARG 84 7.419 -2.776 7.359 656 HH22 ARG 84 1HH2 ARG 84 7.830 -2.159 8.923 657 H ALA 85 H ALA 85 9.188 2.456 2.039 658 HA ALA 85 HA ALA 85 9.817 -0.141 0.816 659 HB1 ALA 85 1HB ALA 85 11.828 2.047 1.039 660 HB2 ALA 85 2HB ALA 85 11.634 0.815 -0.208 661 HB3 ALA 85 3HB ALA 85 10.531 2.190 -0.148 662 H ARG 86 H ARG 86 11.570 -1.392 1.603 663 HA ARG 86 HA ARG 86 12.525 -0.716 4.295 664 HB2 ARG 86 1HB ARG 86 10.707 -2.219 4.708 665 HB3 ARG 86 2HB ARG 86 11.251 -3.317 3.447 666 HG2 ARG 86 1HG ARG 86 11.885 -4.359 5.427 667 HG3 ARG 86 2HG ARG 86 13.367 -3.592 4.855 668 HD2 ARG 86 1HD ARG 86 13.132 -1.803 6.411 669 HD3 ARG 86 2HD ARG 86 11.504 -2.321 6.848 670 HE ARG 86 HE ARG 86 13.997 -3.407 7.814 671 HH11 ARG 86 2HH1 ARG 86 10.582 -3.931 7.388 672 HH12 ARG 86 1HH1 ARG 86 10.474 -5.116 8.647 673 HH21 ARG 86 2HH2 ARG 86 13.868 -4.966 9.474 674 HH22 ARG 86 1HH2 ARG 86 12.344 -5.703 9.833 675 H THR 87 H THR 87 14.615 -1.236 4.689 676 HA THR 87 HA THR 87 16.039 -2.778 2.619 677 HB THR 87 HB THR 87 18.017 -1.337 3.011 678 HG1 THR 87 1HG THR 87 17.850 0.457 4.291 679 HG21 THR 87 1HG2 THR 87 16.501 -0.871 1.138 680 HG22 THR 87 2HG2 THR 87 17.202 0.613 1.783 681 HG23 THR 87 3HG2 THR 87 15.540 0.178 2.179 682 H SER 88 H SER 88 18.188 -3.607 3.412 683 HA SER 88 HA SER 88 17.803 -5.220 5.686 684 HB2 SER 88 1HB SER 88 20.112 -5.934 5.358 685 HB3 SER 88 2HB SER 88 19.296 -5.820 3.799 686 HG SER 88 HG SER 88 20.260 -3.532 3.924 687 H ALA 89 H ALA 89 19.456 -2.156 5.212 688 HA ALA 89 HA ALA 89 20.789 -2.057 7.697 689 HB1 ALA 89 1HB ALA 89 19.905 0.503 6.536 690 HB2 ALA 89 2HB ALA 89 21.513 -0.027 7.034 691 HB3 ALA 89 3HB ALA 89 20.859 -0.535 5.476 692 H GLY 90 H GLY 90 17.765 -0.466 6.651 693 HA2 GLY 90 1HA GLY 90 16.620 -0.862 9.282 694 HA3 GLY 90 2HA GLY 90 16.963 0.815 8.882 695 H CYS 91 H CYS 91 14.717 1.273 9.030 696 HA CYS 91 HA CYS 91 13.242 0.477 6.615 697 HB2 CYS 91 1HB CYS 91 12.403 -0.768 8.603 698 HB3 CYS 91 2HB CYS 91 12.022 0.771 9.367 699 HG CYS 91 HG CYS 91 9.961 1.450 7.763 700 H GLY 92 H GLY 92 11.733 2.016 5.824 701 HA2 GLY 92 1HA GLY 92 12.497 4.754 6.482 702 HA3 GLY 92 2HA GLY 92 11.564 4.241 5.084 703 H ARG 93 H ARG 93 9.645 5.198 5.149 704 HA ARG 93 HA ARG 93 8.029 4.916 7.568 705 HB2 ARG 93 1HB ARG 93 8.834 7.498 6.287 706 HB3 ARG 93 2HB ARG 93 7.246 7.368 7.032 707 HG2 ARG 93 1HG ARG 93 9.773 6.668 8.494 708 HG3 ARG 93 2HG ARG 93 9.107 8.302 8.466 709 HD2 ARG 93 1HD ARG 93 7.053 7.523 9.470 710 HD3 ARG 93 2HD ARG 93 7.614 5.853 9.394 711 HE ARG 93 HE ARG 93 9.440 7.419 10.869 712 HH11 ARG 93 2HH1 ARG 93 6.265 6.009 11.087 713 HH12 ARG 93 1HH1 ARG 93 6.305 5.865 12.813 714 HH21 ARG 93 2HH2 ARG 93 9.505 7.235 13.141 715 HH22 ARG 93 1HH2 ARG 93 8.148 6.563 13.981 716 H PHE 94 H PHE 94 5.713 5.649 7.108 717 HA PHE 94 HA PHE 94 4.879 4.367 4.651 718 HB2 PHE 94 1HB PHE 94 3.558 5.214 7.178 719 HB3 PHE 94 2HB PHE 94 2.551 5.105 5.738 720 HD1 PHE 94 1HD PHE 94 3.237 2.837 4.315 721 HD2 PHE 94 2HD PHE 94 3.423 3.381 8.532 722 HE1 PHE 94 1HE PHE 94 3.044 0.405 4.634 723 HE2 PHE 94 2HE PHE 94 3.232 0.950 8.858 724 HZ PHE 94 HZ PHE 94 3.043 -0.541 6.908 725 H SER 95 H SER 95 4.053 5.332 2.885 726 HA SER 95 HA SER 95 4.510 8.060 2.411 727 HB2 SER 95 1HB SER 95 4.360 6.274 0.654 728 HB3 SER 95 2HB SER 95 2.611 6.265 0.883 729 HG SER 95 HG SER 95 2.538 7.908 -0.406 730 H GLN 96 H GLN 96 2.685 9.513 1.517 731 HA GLN 96 HA GLN 96 1.070 10.342 3.595 732 HB2 GLN 96 1HB GLN 96 1.105 10.835 0.662 733 HB3 GLN 96 2HB GLN 96 -0.330 11.332 1.550 734 HG2 GLN 96 1HG GLN 96 1.245 12.556 3.116 735 HG3 GLN 96 2HG GLN 96 2.495 12.272 1.906 736 HE21 GLN 96 1HE2 GLN 96 -0.194 14.157 2.817 737 HE22 GLN 96 2HE2 GLN 96 -0.226 15.198 1.438 738 H ALA 97 H ALA 97 -1.011 9.982 4.238 739 HA ALA 97 HA ALA 97 -2.153 7.457 3.714 740 HB1 ALA 97 1HB ALA 97 -2.693 9.714 5.434 741 HB2 ALA 97 2HB ALA 97 -4.183 9.023 4.789 742 HB3 ALA 97 3HB ALA 97 -3.049 8.003 5.674 743 H MET 98 H MET 98 -3.174 6.841 1.932 744 HA MET 98 HA MET 98 -4.552 8.858 0.307 745 HB2 MET 98 1HB MET 98 -2.889 7.584 -0.902 746 HB3 MET 98 2HB MET 98 -3.601 6.069 -0.363 747 HG2 MET 98 1HG MET 98 -5.313 6.176 -1.851 748 HG3 MET 98 2HG MET 98 -5.335 7.938 -1.868 749 HE1 MET 98 1HE MET 98 -3.767 4.818 -4.209 750 HE2 MET 98 2HE MET 98 -5.383 5.362 -3.758 751 HE3 MET 98 3HE MET 98 -4.665 5.896 -5.278 752 H GLU 99 H GLU 99 -6.685 8.608 -0.333 753 HA GLU 99 HA GLU 99 -8.208 6.586 1.176 754 HB2 GLU 99 1HB GLU 99 -8.959 9.381 0.323 755 HB3 GLU 99 2HB GLU 99 -10.133 8.214 0.914 756 HG2 GLU 99 1HG GLU 99 -8.991 8.090 3.042 757 HG3 GLU 99 2HG GLU 99 -7.737 9.181 2.456 758 H VAL 100 H VAL 100 -9.263 5.102 0.041 759 HA VAL 100 HA VAL 100 -10.160 5.725 -2.677 760 HB VAL 100 HB VAL 100 -8.570 3.256 -1.969 761 HG11 VAL 100 1HG1 VAL 100 -9.332 3.941 -4.758 762 HG12 VAL 100 2HG1 VAL 100 -9.060 2.365 -4.012 763 HG13 VAL 100 3HG1 VAL 100 -10.563 3.236 -3.710 764 HG21 VAL 100 1HG2 VAL 100 -7.633 4.952 -4.151 765 HG22 VAL 100 2HG2 VAL 100 -7.613 5.753 -2.579 766 HG23 VAL 100 3HG2 VAL 100 -6.741 4.237 -2.808 767 H GLU 101 H GLU 101 -12.147 4.979 -3.104 768 HA GLU 101 HA GLU 101 -13.385 3.203 -1.119 769 HB2 GLU 101 1HB GLU 101 -14.281 5.587 -1.861 770 HB3 GLU 101 2HB GLU 101 -14.994 4.654 -3.170 771 HG2 GLU 101 1HG GLU 101 -15.926 3.143 -1.321 772 HG3 GLU 101 2HG GLU 101 -15.521 4.468 -0.230 773 H THR 102 H THR 102 -14.586 1.405 -1.749 774 HA THR 102 HA THR 102 -13.841 0.330 -4.369 775 HB THR 102 HB THR 102 -14.742 -1.839 -3.410 776 HG1 THR 102 1HG THR 102 -15.076 -1.895 -1.182 777 HG21 THR 102 1HG2 THR 102 -12.745 -1.780 -1.590 778 HG22 THR 102 2HG2 THR 102 -12.328 -0.369 -2.563 779 HG23 THR 102 3HG2 THR 102 -12.483 -1.951 -3.325 780 H GLY 103 H GLY 103 -15.516 -1.088 -5.443 781 HA2 GLY 103 1HA GLY 103 -17.809 0.466 -6.035 782 HA3 GLY 103 2HA GLY 103 -17.505 -1.173 -6.590 783 H LYS 104 H LYS 104 -19.743 0.555 -5.116 784 HA LYS 104 HA LYS 104 -20.373 -0.777 -2.739 785 HB2 LYS 104 1HB LYS 104 -22.115 0.640 -4.754 786 HB3 LYS 104 2HB LYS 104 -22.736 0.007 -3.235 787 HG2 LYS 104 1HG LYS 104 -22.332 2.247 -2.784 788 HG3 LYS 104 2HG LYS 104 -20.916 1.426 -2.122 789 HD2 LYS 104 1HD LYS 104 -19.522 2.206 -3.781 790 HD3 LYS 104 2HD LYS 104 -20.839 2.406 -4.940 791 HE2 LYS 104 1HE LYS 104 -21.636 4.209 -3.183 792 HE3 LYS 104 2HE LYS 104 -19.926 4.213 -2.757 793 HZ1 LYS 104 1HZ LYS 104 -20.984 4.648 -5.498 794 HZ2 LYS 104 2HZ LYS 104 -19.367 4.760 -5.015 795 HZ3 LYS 104 3HZ LYS 104 -20.498 5.881 -4.446 796 HA PRO 105 HA PRO 105 -21.918 -4.711 -3.921 797 HB2 PRO 105 1HB PRO 105 -23.893 -5.083 -2.095 798 HB3 PRO 105 2HB PRO 105 -22.176 -5.155 -1.681 799 HG2 PRO 105 1HG PRO 105 -24.117 -2.904 -1.325 800 HG3 PRO 105 2HG PRO 105 -22.879 -3.502 -0.204 801 HD2 PRO 105 1HD PRO 105 -22.516 -1.297 -1.733 802 HD3 PRO 105 2HD PRO 105 -21.181 -2.376 -1.281 803 H SER 106 H SER 106 -23.592 -1.937 -4.504 804 HA SER 106 HA SER 106 -25.884 -3.375 -5.671 805 HB2 SER 106 1HB SER 106 -26.182 -1.500 -3.845 806 HB3 SER 106 2HB SER 106 -25.935 -0.415 -5.214 807 HG SER 106 HG SER 106 -28.114 -1.893 -4.554 808 H GLY 107 H GLY 107 -26.492 -2.936 -7.786 809 HA2 GLY 107 1HA GLY 107 -24.463 -1.477 -9.362 810 HA3 GLY 107 2HA GLY 107 -25.363 -2.866 -9.953 811 HA PRO 108 HA PRO 108 -27.395 1.085 -11.403 812 HB2 PRO 108 1HB PRO 108 -27.369 0.445 -14.041 813 HB3 PRO 108 2HB PRO 108 -26.030 1.276 -13.241 814 HG2 PRO 108 1HG PRO 108 -26.323 -1.624 -13.923 815 HG3 PRO 108 2HG PRO 108 -24.907 -0.571 -14.098 816 HD2 PRO 108 1HD PRO 108 -25.185 -2.307 -12.040 817 HD3 PRO 108 2HD PRO 108 -24.336 -0.757 -11.873 818 H SER 109 H SER 109 -29.383 0.539 -10.554 819 HA SER 109 HA SER 109 -30.925 -1.673 -10.942 820 HB2 SER 109 1HB SER 109 -32.896 -0.242 -10.506 821 HB3 SER 109 2HB SER 109 -31.562 0.123 -9.411 822 HG SER 109 HG SER 109 -32.819 1.749 -11.133 823 H SER 110 H SER 110 -30.805 1.191 -13.035 824 HA SER 110 HA SER 110 -31.462 1.544 -15.184 825 HB2 SER 110 1HB SER 110 -31.193 -1.466 -15.384 826 HB3 SER 110 2HB SER 110 -31.279 -0.350 -16.746 827 HG SER 110 HG SER 110 -29.158 -1.012 -15.183 828 H GLY 111 H GLY 111 -33.515 1.439 -13.315 829 HA2 GLY 111 1HA GLY 111 -35.813 1.430 -13.280 830 HA3 GLY 111 2HA GLY 111 -35.766 1.069 -14.999 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.794 -1.116 20.643 2 HA2 GLY 1 1HA GLY 1 16.784 -2.460 20.449 3 HA3 GLY 1 2HA GLY 1 15.434 -3.577 20.582 4 H SER 2 H SER 2 17.639 -2.002 18.340 5 HA SER 2 HA SER 2 16.790 -3.747 16.167 6 HB2 SER 2 1HB SER 2 18.646 -1.385 16.351 7 HB3 SER 2 2HB SER 2 18.646 -2.432 14.931 8 HG SER 2 HG SER 2 16.989 -1.327 14.295 9 H SER 3 H SER 3 18.297 -5.067 14.998 10 HA SER 3 HA SER 3 20.021 -6.549 16.738 11 HB2 SER 3 1HB SER 3 18.694 -7.636 14.954 12 HB3 SER 3 2HB SER 3 19.652 -6.787 13.741 13 HG SER 3 HG SER 3 21.365 -7.968 15.337 14 H GLY 4 H GLY 4 20.659 -4.882 13.641 15 HA2 GLY 4 1HA GLY 4 23.402 -4.380 14.623 16 HA3 GLY 4 2HA GLY 4 23.033 -4.739 12.943 17 H SER 5 H SER 5 22.442 -2.374 15.515 18 HA SER 5 HA SER 5 21.191 -0.349 14.252 19 HB2 SER 5 1HB SER 5 23.517 -0.231 16.167 20 HB3 SER 5 2HB SER 5 22.697 1.226 15.607 21 HG SER 5 HG SER 5 21.856 -0.707 17.383 22 H SER 6 H SER 6 24.752 -0.599 14.279 23 HA SER 6 HA SER 6 25.227 1.397 12.392 24 HB2 SER 6 1HB SER 6 27.458 0.598 12.289 25 HB3 SER 6 2HB SER 6 26.909 0.229 13.924 26 HG SER 6 HG SER 6 26.922 -1.590 11.742 27 H GLY 7 H GLY 7 25.908 1.242 10.171 28 HA2 GLY 7 1HA GLY 7 26.078 -0.643 8.367 29 HA3 GLY 7 2HA GLY 7 24.365 -0.793 8.729 30 H GLN 8 H GLN 8 22.963 0.487 7.683 31 HA GLN 8 HA GLN 8 24.016 2.845 6.278 32 HB2 GLN 8 1HB GLN 8 22.270 0.661 5.149 33 HB3 GLN 8 2HB GLN 8 22.420 2.242 4.395 34 HG2 GLN 8 1HG GLN 8 24.609 0.227 4.834 35 HG3 GLN 8 2HG GLN 8 23.887 0.703 3.298 36 HE21 GLN 8 1HE2 GLN 8 26.579 0.994 4.999 37 HE22 GLN 8 2HE2 GLN 8 27.110 2.565 4.516 38 H ALA 9 H ALA 9 22.396 4.446 5.731 39 HA ALA 9 HA ALA 9 20.521 4.822 7.862 40 HB1 ALA 9 1HB ALA 9 19.957 6.920 6.657 41 HB2 ALA 9 2HB ALA 9 21.680 6.735 6.991 42 HB3 ALA 9 3HB ALA 9 21.058 6.429 5.369 43 H ALA 10 H ALA 10 18.270 4.947 7.737 44 HA ALA 10 HA ALA 10 16.977 3.008 6.208 45 HB1 ALA 10 1HB ALA 10 15.063 4.965 6.908 46 HB2 ALA 10 2HB ALA 10 15.412 3.438 7.718 47 HB3 ALA 10 3HB ALA 10 16.257 4.907 8.205 48 HA PRO 11 HA PRO 11 16.240 4.831 2.281 49 HB2 PRO 11 1HB PRO 11 13.860 3.696 1.632 50 HB3 PRO 11 2HB PRO 11 15.383 2.797 1.640 51 HG2 PRO 11 1HG PRO 11 13.233 2.899 3.721 52 HG3 PRO 11 2HG PRO 11 14.139 1.500 3.116 53 HD2 PRO 11 1HD PRO 11 14.737 2.721 5.457 54 HD3 PRO 11 2HD PRO 11 15.972 1.958 4.436 55 H SER 12 H SER 12 14.307 5.848 0.990 56 HA SER 12 HA SER 12 13.209 7.937 2.710 57 HB2 SER 12 1HB SER 12 14.488 8.270 0.434 58 HB3 SER 12 2HB SER 12 12.905 7.942 -0.270 59 HG SER 12 HG SER 12 13.784 10.213 0.743 60 H GLN 13 H GLN 13 10.989 8.799 1.788 61 HA GLN 13 HA GLN 13 9.182 6.479 1.742 62 HB2 GLN 13 1HB GLN 13 9.038 8.105 3.669 63 HB3 GLN 13 2HB GLN 13 8.485 9.312 2.516 64 HG2 GLN 13 1HG GLN 13 6.678 7.563 1.918 65 HG3 GLN 13 2HG GLN 13 7.107 6.840 3.467 66 HE21 GLN 13 1HE2 GLN 13 5.472 9.383 1.869 67 HE22 GLN 13 2HE2 GLN 13 4.841 10.166 3.274 68 H VAL 14 H VAL 14 7.899 6.141 0.039 69 HA VAL 14 HA VAL 14 8.203 7.673 -2.330 70 HB VAL 14 HB VAL 14 6.452 6.228 -3.276 71 HG11 VAL 14 1HG1 VAL 14 8.355 4.590 -1.614 72 HG12 VAL 14 2HG1 VAL 14 7.669 4.186 -3.189 73 HG13 VAL 14 3HG1 VAL 14 8.844 5.494 -3.047 74 HG21 VAL 14 1HG2 VAL 14 5.806 5.861 -0.483 75 HG22 VAL 14 2HG2 VAL 14 4.848 5.491 -1.916 76 HG23 VAL 14 3HG2 VAL 14 6.012 4.315 -1.306 77 H VAL 15 H VAL 15 7.234 9.503 -2.873 78 HA VAL 15 HA VAL 15 4.766 10.270 -1.472 79 HB VAL 15 HB VAL 15 5.265 12.570 -2.137 80 HG11 VAL 15 1HG1 VAL 15 7.093 10.935 -0.514 81 HG12 VAL 15 2HG1 VAL 15 7.713 12.519 -0.985 82 HG13 VAL 15 3HG1 VAL 15 6.195 12.393 -0.094 83 HG21 VAL 15 1HG2 VAL 15 7.090 11.254 -3.934 84 HG22 VAL 15 2HG2 VAL 15 6.528 12.925 -3.934 85 HG23 VAL 15 3HG2 VAL 15 7.931 12.468 -2.969 86 H VAL 16 H VAL 16 5.244 8.568 -4.007 87 HA VAL 16 HA VAL 16 3.257 9.984 -5.658 88 HB VAL 16 HB VAL 16 5.547 8.310 -6.701 89 HG11 VAL 16 1HG1 VAL 16 4.427 9.745 -8.789 90 HG12 VAL 16 2HG1 VAL 16 4.232 8.019 -8.477 91 HG13 VAL 16 3HG1 VAL 16 3.037 9.166 -7.871 92 HG21 VAL 16 1HG2 VAL 16 6.051 10.648 -5.800 93 HG22 VAL 16 2HG2 VAL 16 6.572 10.284 -7.445 94 HG23 VAL 16 3HG2 VAL 16 5.119 11.245 -7.173 95 H ILE 17 H ILE 17 1.418 8.887 -5.497 96 HA ILE 17 HA ILE 17 1.466 5.996 -5.949 97 HB ILE 17 HB ILE 17 0.365 7.363 -3.532 98 HG12 ILE 17 1HG1 ILE 17 1.575 4.618 -3.902 99 HG13 ILE 17 2HG1 ILE 17 2.520 6.060 -3.550 100 HG21 ILE 17 1HG2 ILE 17 -0.913 5.059 -3.280 101 HG22 ILE 17 2HG2 ILE 17 -1.651 6.449 -4.075 102 HG23 ILE 17 3HG2 ILE 17 -0.933 5.160 -5.040 103 HD11 ILE 17 1HD1 ILE 17 0.402 4.834 -1.803 104 HD12 ILE 17 2HD1 ILE 17 2.145 4.815 -1.531 105 HD13 ILE 17 3HD1 ILE 17 1.257 6.337 -1.456 106 H ARG 18 H ARG 18 -0.243 5.227 -7.106 107 HA ARG 18 HA ARG 18 -2.492 7.033 -7.635 108 HB2 ARG 18 1HB ARG 18 -1.109 5.511 -9.841 109 HB3 ARG 18 2HB ARG 18 -2.362 6.734 -9.997 110 HG2 ARG 18 1HG ARG 18 -0.898 8.476 -9.539 111 HG3 ARG 18 2HG ARG 18 0.285 7.409 -8.779 112 HD2 ARG 18 1HD ARG 18 1.306 7.763 -10.793 113 HD3 ARG 18 2HD ARG 18 0.352 6.331 -11.180 114 HE ARG 18 HE ARG 18 -0.090 9.038 -12.135 115 HH11 ARG 18 2HH1 ARG 18 -1.291 5.783 -11.840 116 HH12 ARG 18 1HH1 ARG 18 -2.431 5.948 -13.135 117 HH21 ARG 18 2HH2 ARG 18 -1.588 9.267 -13.840 118 HH22 ARG 18 1HH2 ARG 18 -2.599 7.930 -14.272 119 H GLN 19 H GLN 19 -4.172 5.772 -9.049 120 HA GLN 19 HA GLN 19 -4.395 3.046 -7.953 121 HB2 GLN 19 1HB GLN 19 -6.020 4.435 -6.864 122 HB3 GLN 19 2HB GLN 19 -6.542 5.121 -8.397 123 HG2 GLN 19 1HG GLN 19 -7.294 2.817 -9.053 124 HG3 GLN 19 2HG GLN 19 -6.982 2.325 -7.390 125 HE21 GLN 19 1HE2 GLN 19 -7.911 4.267 -5.873 126 HE22 GLN 19 2HE2 GLN 19 -9.596 4.542 -6.137 127 H GLU 20 H GLU 20 -3.942 1.703 -9.583 128 HA GLU 20 HA GLU 20 -4.416 2.314 -12.319 129 HB2 GLU 20 1HB GLU 20 -3.398 -0.008 -10.782 130 HB3 GLU 20 2HB GLU 20 -4.063 -0.354 -12.372 131 HG2 GLU 20 1HG GLU 20 -2.040 1.815 -12.014 132 HG3 GLU 20 2HG GLU 20 -1.543 0.128 -12.134 133 H ARG 21 H ARG 21 -6.019 0.152 -10.000 134 HA ARG 21 HA ARG 21 -8.523 0.464 -11.412 135 HB2 ARG 21 1HB ARG 21 -8.796 -2.105 -11.438 136 HB3 ARG 21 2HB ARG 21 -7.844 -1.351 -12.710 137 HG2 ARG 21 1HG ARG 21 -5.790 -1.927 -11.502 138 HG3 ARG 21 2HG ARG 21 -6.759 -2.712 -10.253 139 HD2 ARG 21 1HD ARG 21 -7.745 -4.036 -12.289 140 HD3 ARG 21 2HD ARG 21 -6.238 -3.553 -13.067 141 HE ARG 21 HE ARG 21 -5.426 -4.596 -10.700 142 HH11 ARG 21 2HH1 ARG 21 -7.456 -5.757 -13.278 143 HH12 ARG 21 1HH1 ARG 21 -7.048 -7.422 -13.025 144 HH21 ARG 21 2HH2 ARG 21 -4.881 -6.784 -10.356 145 HH22 ARG 21 1HH2 ARG 21 -5.584 -8.005 -11.362 146 H ALA 22 H ALA 22 -10.330 -0.580 -10.244 147 HA ALA 22 HA ALA 22 -9.825 -1.414 -7.516 148 HB1 ALA 22 1HB ALA 22 -9.868 0.792 -6.896 149 HB2 ALA 22 2HB ALA 22 -10.965 1.252 -8.198 150 HB3 ALA 22 3HB ALA 22 -11.583 0.395 -6.786 151 H GLY 23 H GLY 23 -10.941 -3.279 -7.668 152 HA2 GLY 23 1HA GLY 23 -13.479 -3.399 -9.058 153 HA3 GLY 23 2HA GLY 23 -12.655 -4.735 -8.269 154 H GLN 24 H GLN 24 -14.223 -5.555 -6.997 155 HA GLN 24 HA GLN 24 -15.801 -3.746 -5.331 156 HB2 GLN 24 1HB GLN 24 -16.651 -5.835 -6.720 157 HB3 GLN 24 2HB GLN 24 -16.166 -6.707 -5.272 158 HG2 GLN 24 1HG GLN 24 -17.587 -4.945 -4.025 159 HG3 GLN 24 2HG GLN 24 -18.303 -4.649 -5.608 160 HE21 GLN 24 1HE2 GLN 24 -20.040 -5.786 -6.053 161 HE22 GLN 24 2HE2 GLN 24 -20.463 -7.316 -5.371 162 H THR 25 H THR 25 -13.809 -6.674 -4.960 163 HA THR 25 HA THR 25 -13.345 -5.887 -2.156 164 HB THR 25 HB THR 25 -12.936 -8.254 -1.649 165 HG1 THR 25 1HG THR 25 -13.228 -8.468 -4.416 166 HG21 THR 25 1HG2 THR 25 -15.579 -7.778 -3.034 167 HG22 THR 25 2HG2 THR 25 -15.197 -7.372 -1.360 168 HG23 THR 25 3HG2 THR 25 -15.244 -9.059 -1.870 169 H SER 26 H SER 26 -11.898 -5.392 -4.847 170 HA SER 26 HA SER 26 -9.229 -5.855 -3.761 171 HB2 SER 26 1HB SER 26 -8.431 -6.655 -6.007 172 HB3 SER 26 2HB SER 26 -9.500 -7.784 -5.176 173 HG SER 26 HG SER 26 -11.060 -7.390 -6.601 174 H VAL 27 H VAL 27 -7.633 -4.446 -4.581 175 HA VAL 27 HA VAL 27 -8.419 -2.405 -6.494 176 HB VAL 27 HB VAL 27 -7.698 -1.719 -3.643 177 HG11 VAL 27 1HG1 VAL 27 -8.155 0.667 -4.660 178 HG12 VAL 27 2HG1 VAL 27 -6.554 -0.072 -4.750 179 HG13 VAL 27 3HG1 VAL 27 -7.627 -0.115 -6.150 180 HG21 VAL 27 1HG2 VAL 27 -9.985 -2.115 -3.667 181 HG22 VAL 27 2HG2 VAL 27 -9.888 -0.376 -3.944 182 HG23 VAL 27 3HG2 VAL 27 -10.182 -1.469 -5.296 183 H SER 28 H SER 28 -6.734 -1.741 -7.687 184 HA SER 28 HA SER 28 -4.103 -2.812 -7.032 185 HB2 SER 28 1HB SER 28 -4.737 -3.247 -9.277 186 HB3 SER 28 2HB SER 28 -5.279 -1.588 -9.527 187 HG SER 28 HG SER 28 -2.611 -1.992 -8.820 188 H LEU 29 H LEU 29 -2.211 -1.539 -6.994 189 HA LEU 29 HA LEU 29 -2.635 1.354 -6.681 190 HB2 LEU 29 1HB LEU 29 -0.971 -0.419 -4.900 191 HB3 LEU 29 2HB LEU 29 -1.022 1.340 -4.816 192 HG LEU 29 HG LEU 29 -3.296 -0.550 -4.217 193 HD11 LEU 29 1HD1 LEU 29 -1.705 1.272 -2.418 194 HD12 LEU 29 2HD1 LEU 29 -1.553 -0.483 -2.496 195 HD13 LEU 29 3HD1 LEU 29 -3.057 0.247 -1.936 196 HD21 LEU 29 1HD2 LEU 29 -4.306 1.667 -3.361 197 HD22 LEU 29 2HD2 LEU 29 -4.362 1.318 -5.089 198 HD23 LEU 29 3HD2 LEU 29 -3.150 2.432 -4.452 199 H LEU 30 H LEU 30 -0.769 2.666 -7.076 200 HA LEU 30 HA LEU 30 1.475 1.337 -8.408 201 HB2 LEU 30 1HB LEU 30 -0.472 3.208 -9.617 202 HB3 LEU 30 2HB LEU 30 1.225 3.460 -10.021 203 HG LEU 30 HG LEU 30 -0.598 1.225 -10.763 204 HD11 LEU 30 1HD1 LEU 30 -0.321 2.698 -12.513 205 HD12 LEU 30 2HD1 LEU 30 0.930 1.502 -12.849 206 HD13 LEU 30 3HD1 LEU 30 1.360 3.039 -12.101 207 HD21 LEU 30 1HD2 LEU 30 2.331 0.977 -10.191 208 HD22 LEU 30 2HD2 LEU 30 1.570 -0.001 -11.446 209 HD23 LEU 30 3HD2 LEU 30 1.015 -0.122 -9.776 210 H TRP 31 H TRP 31 3.237 1.978 -7.376 211 HA TRP 31 HA TRP 31 3.452 4.809 -6.593 212 HB2 TRP 31 1HB TRP 31 4.646 4.160 -4.575 213 HB3 TRP 31 2HB TRP 31 3.068 3.378 -4.611 214 HD1 TRP 31 HD TRP 31 6.799 2.604 -4.790 215 HE1 TRP 31 1HE TRP 31 7.134 0.068 -4.511 216 HE3 TRP 31 3HE TRP 31 1.914 1.113 -5.006 217 HZ2 TRP 31 2HZ TRP 31 5.538 -2.258 -4.398 218 HZ3 TRP 31 3HZ TRP 31 1.403 -1.286 -4.805 219 HH2 TRP 31 HH TRP 31 3.179 -2.935 -4.508 220 H GLN 32 H GLN 32 5.748 5.504 -6.271 221 HA GLN 32 HA GLN 32 7.454 4.228 -8.302 222 HB2 GLN 32 1HB GLN 32 7.484 7.084 -7.311 223 HB3 GLN 32 2HB GLN 32 8.543 6.418 -8.547 224 HG2 GLN 32 1HG GLN 32 6.765 6.149 -10.069 225 HG3 GLN 32 2HG GLN 32 5.555 6.424 -8.817 226 HE21 GLN 32 1HE2 GLN 32 4.962 7.922 -10.711 227 HE22 GLN 32 2HE2 GLN 32 5.556 9.540 -10.592 228 H GLU 33 H GLU 33 9.877 4.822 -7.883 229 HA GLU 33 HA GLU 33 10.587 3.568 -5.416 230 HB2 GLU 33 1HB GLU 33 12.035 4.574 -7.808 231 HB3 GLU 33 2HB GLU 33 12.959 4.416 -6.322 232 HG2 GLU 33 1HG GLU 33 13.310 2.349 -7.154 233 HG3 GLU 33 2HG GLU 33 11.797 2.031 -6.307 234 HA PRO 34 HA PRO 34 11.074 7.068 -2.803 235 HB2 PRO 34 1HB PRO 34 12.987 6.133 -1.118 236 HB3 PRO 34 2HB PRO 34 11.312 5.570 -1.077 237 HG2 PRO 34 1HG PRO 34 13.708 4.295 -2.340 238 HG3 PRO 34 2HG PRO 34 12.413 3.545 -1.389 239 HD2 PRO 34 1HD PRO 34 12.482 3.442 -4.094 240 HD3 PRO 34 2HD PRO 34 10.961 3.488 -3.179 241 H GLU 35 H GLU 35 12.213 8.923 -2.825 242 HA GLU 35 HA GLU 35 14.045 9.671 -4.608 243 HB2 GLU 35 1HB GLU 35 13.897 10.505 -1.713 244 HB3 GLU 35 2HB GLU 35 14.953 11.297 -2.875 245 HG2 GLU 35 1HG GLU 35 12.757 11.550 -4.261 246 HG3 GLU 35 2HG GLU 35 11.981 11.315 -2.696 247 H GLN 36 H GLN 36 15.053 8.579 -1.362 248 HA GLN 36 HA GLN 36 17.492 7.486 -2.585 249 HB2 GLN 36 1HB GLN 36 17.238 9.383 -0.294 250 HB3 GLN 36 2HB GLN 36 18.522 8.183 -0.251 251 HG2 GLN 36 1HG GLN 36 18.981 9.085 -2.682 252 HG3 GLN 36 2HG GLN 36 18.158 10.512 -2.054 253 HE21 GLN 36 1HE2 GLN 36 21.072 8.878 -2.290 254 HE22 GLN 36 2HE2 GLN 36 21.977 9.792 -1.136 255 HA PRO 37 HA PRO 37 15.665 4.027 -0.319 256 HB2 PRO 37 1HB PRO 37 17.077 2.132 -1.654 257 HB3 PRO 37 2HB PRO 37 15.614 2.878 -2.308 258 HG2 PRO 37 1HG PRO 37 18.483 3.503 -2.893 259 HG3 PRO 37 2HG PRO 37 17.116 3.367 -4.014 260 HD2 PRO 37 1HD PRO 37 18.066 5.753 -3.157 261 HD3 PRO 37 2HD PRO 37 16.352 5.489 -3.538 262 H ASN 38 H ASN 38 19.016 4.886 -0.824 263 HA ASN 38 HA ASN 38 20.905 4.559 0.401 264 HB2 ASN 38 1HB ASN 38 18.761 4.409 2.505 265 HB3 ASN 38 2HB ASN 38 20.457 4.193 2.928 266 HD21 ASN 38 1HD2 ASN 38 18.252 6.344 3.267 267 HD22 ASN 38 2HD2 ASN 38 19.096 7.811 2.922 268 H GLY 39 H GLY 39 20.071 2.335 -1.031 269 HA2 GLY 39 1HA GLY 39 21.575 0.288 -0.563 270 HA3 GLY 39 2HA GLY 39 20.492 0.072 0.804 271 H ILE 40 H ILE 40 20.333 -2.060 -0.430 272 HA ILE 40 HA ILE 40 18.589 -1.972 -2.751 273 HB ILE 40 HB ILE 40 19.721 -4.338 -1.253 274 HG12 ILE 40 1HG1 ILE 40 20.980 -4.438 -3.584 275 HG13 ILE 40 2HG1 ILE 40 20.653 -2.708 -3.576 276 HG21 ILE 40 1HG2 ILE 40 18.006 -5.372 -2.301 277 HG22 ILE 40 2HG2 ILE 40 17.830 -4.096 -3.505 278 HG23 ILE 40 3HG2 ILE 40 19.104 -5.303 -3.680 279 HD11 ILE 40 1HD1 ILE 40 22.849 -3.828 -2.518 280 HD12 ILE 40 2HD1 ILE 40 22.161 -2.301 -1.964 281 HD13 ILE 40 3HD1 ILE 40 21.803 -3.796 -1.099 282 H ILE 41 H ILE 41 16.455 -2.391 -2.767 283 HA ILE 41 HA ILE 41 15.134 -2.729 -0.184 284 HB ILE 41 HB ILE 41 14.007 -2.045 -2.901 285 HG12 ILE 41 1HG1 ILE 41 14.108 -0.297 -0.448 286 HG13 ILE 41 2HG1 ILE 41 15.431 -0.341 -1.609 287 HG21 ILE 41 1HG2 ILE 41 11.949 -1.476 -1.512 288 HG22 ILE 41 2HG2 ILE 41 12.280 -3.184 -1.793 289 HG23 ILE 41 3HG2 ILE 41 12.679 -2.452 -0.239 290 HD11 ILE 41 1HD1 ILE 41 12.733 0.832 -1.845 291 HD12 ILE 41 2HD1 ILE 41 14.282 1.399 -2.470 292 HD13 ILE 41 3HD1 ILE 41 13.420 0.101 -3.295 293 H LEU 42 H LEU 42 14.278 -4.593 0.455 294 HA LEU 42 HA LEU 42 14.466 -6.927 -1.188 295 HB2 LEU 42 1HB LEU 42 13.040 -6.647 1.448 296 HB3 LEU 42 2HB LEU 42 13.641 -8.129 0.709 297 HG LEU 42 HG LEU 42 15.504 -5.921 1.527 298 HD11 LEU 42 1HD1 LEU 42 14.680 -8.243 3.258 299 HD12 LEU 42 2HD1 LEU 42 14.080 -6.598 3.460 300 HD13 LEU 42 3HD1 LEU 42 15.798 -6.941 3.665 301 HD21 LEU 42 1HD2 LEU 42 16.043 -8.865 1.483 302 HD22 LEU 42 2HD2 LEU 42 17.176 -7.520 1.354 303 HD23 LEU 42 3HD2 LEU 42 16.116 -7.913 0.000 304 H GLU 43 H GLU 43 11.742 -5.121 0.227 305 HA GLU 43 HA GLU 43 10.097 -5.562 -2.054 306 HB2 GLU 43 1HB GLU 43 8.339 -6.890 -0.876 307 HB3 GLU 43 2HB GLU 43 9.826 -7.779 -1.177 308 HG2 GLU 43 1HG GLU 43 10.406 -6.935 1.255 309 HG3 GLU 43 2HG GLU 43 8.650 -6.853 1.384 310 H TYR 44 H TYR 44 7.918 -4.632 -1.772 311 HA TYR 44 HA TYR 44 8.031 -2.392 0.114 312 HB2 TYR 44 1HB TYR 44 6.586 -2.848 -2.481 313 HB3 TYR 44 2HB TYR 44 6.057 -1.589 -1.370 314 HD1 TYR 44 1HD TYR 44 8.784 -2.699 -3.576 315 HD2 TYR 44 2HD TYR 44 7.338 0.423 -1.073 316 HE1 TYR 44 1HE TYR 44 10.478 -1.178 -4.505 317 HE2 TYR 44 2HE TYR 44 9.028 1.953 -1.996 318 HH TYR 44 HH TYR 44 10.990 1.090 -4.734 319 H GLU 45 H GLU 45 6.618 -2.160 1.742 320 HA GLU 45 HA GLU 45 4.587 -4.251 2.072 321 HB2 GLU 45 1HB GLU 45 6.145 -2.542 3.961 322 HB3 GLU 45 2HB GLU 45 4.565 -3.125 4.465 323 HG2 GLU 45 1HG GLU 45 5.230 -5.366 4.356 324 HG3 GLU 45 2HG GLU 45 6.665 -4.982 3.407 325 H ILE 46 H ILE 46 2.544 -3.772 1.659 326 HA ILE 46 HA ILE 46 1.723 -0.954 1.621 327 HB ILE 46 HB ILE 46 0.291 -3.352 0.471 328 HG12 ILE 46 1HG1 ILE 46 1.549 -1.234 -1.214 329 HG13 ILE 46 2HG1 ILE 46 2.595 -2.457 -0.504 330 HG21 ILE 46 1HG2 ILE 46 -1.200 -1.511 1.069 331 HG22 ILE 46 2HG2 ILE 46 -0.214 -0.400 0.120 332 HG23 ILE 46 3HG2 ILE 46 -1.091 -1.704 -0.681 333 HD11 ILE 46 1HD1 ILE 46 0.187 -3.079 -2.190 334 HD12 ILE 46 2HD1 ILE 46 1.835 -2.968 -2.807 335 HD13 ILE 46 3HD1 ILE 46 1.419 -4.205 -1.622 336 H LYS 47 H LYS 47 0.618 -0.197 3.288 337 HA LYS 47 HA LYS 47 -0.787 -2.081 5.045 338 HB2 LYS 47 1HB LYS 47 0.691 -0.799 6.333 339 HB3 LYS 47 2HB LYS 47 0.339 0.675 5.440 340 HG2 LYS 47 1HG LYS 47 -1.982 0.572 6.425 341 HG3 LYS 47 2HG LYS 47 -1.376 -0.702 7.486 342 HD2 LYS 47 1HD LYS 47 0.072 0.741 8.597 343 HD3 LYS 47 2HD LYS 47 0.055 1.922 7.286 344 HE2 LYS 47 1HE LYS 47 -2.485 1.321 8.726 345 HE3 LYS 47 2HE LYS 47 -1.282 2.344 9.510 346 HZ1 LYS 47 1HZ LYS 47 -2.961 2.890 7.201 347 HZ2 LYS 47 2HZ LYS 47 -1.373 3.465 7.109 348 HZ3 LYS 47 3HZ LYS 47 -2.372 3.944 8.387 349 H TYR 48 H TYR 48 -2.913 -2.257 4.861 350 HA TYR 48 HA TYR 48 -4.472 0.109 4.080 351 HB2 TYR 48 1HB TYR 48 -5.896 -1.270 2.650 352 HB3 TYR 48 2HB TYR 48 -4.223 -1.340 2.107 353 HD1 TYR 48 2HD TYR 48 -6.768 -3.203 4.075 354 HD2 TYR 48 1HD TYR 48 -3.141 -3.403 1.858 355 HE1 TYR 48 2HE TYR 48 -6.844 -5.659 4.183 356 HE2 TYR 48 1HE TYR 48 -3.208 -5.860 1.959 357 HH TYR 48 HH TYR 48 -5.365 -7.557 4.007 358 H TYR 49 H TYR 49 -6.102 0.523 5.418 359 HA TYR 49 HA TYR 49 -7.344 -1.665 6.911 360 HB2 TYR 49 1HB TYR 49 -7.113 -0.604 9.026 361 HB3 TYR 49 2HB TYR 49 -5.512 -0.588 8.294 362 HD1 TYR 49 1HD TYR 49 -8.469 1.494 9.064 363 HD2 TYR 49 2HD TYR 49 -4.400 1.456 7.824 364 HE1 TYR 49 1HE TYR 49 -8.355 3.930 9.384 365 HE2 TYR 49 2HE TYR 49 -4.274 3.892 8.141 366 HH TYR 49 HH TYR 49 -6.709 5.860 8.245 367 H GLU 50 H GLU 50 -9.357 -0.933 8.036 368 HA GLU 50 HA GLU 50 -11.114 0.281 6.247 369 HB2 GLU 50 1HB GLU 50 -11.231 -0.502 9.112 370 HB3 GLU 50 2HB GLU 50 -12.467 0.605 8.532 371 HG2 GLU 50 1HG GLU 50 -13.432 -0.953 7.179 372 HG3 GLU 50 2HG GLU 50 -11.928 -1.841 6.942 373 H LYS 51 H LYS 51 -10.949 2.310 5.551 374 HA LYS 51 HA LYS 51 -9.655 4.433 6.695 375 HB2 LYS 51 1HB LYS 51 -10.383 4.648 4.452 376 HB3 LYS 51 2HB LYS 51 -12.062 4.353 4.885 377 HG2 LYS 51 1HG LYS 51 -11.986 6.636 4.477 378 HG3 LYS 51 2HG LYS 51 -11.889 6.526 6.236 379 HD2 LYS 51 1HD LYS 51 -9.486 6.825 6.152 380 HD3 LYS 51 2HD LYS 51 -9.522 6.827 4.387 381 HE2 LYS 51 1HE LYS 51 -9.468 9.081 4.824 382 HE3 LYS 51 2HE LYS 51 -11.206 8.803 4.728 383 HZ1 LYS 51 1HZ LYS 51 -10.901 8.397 7.284 384 HZ2 LYS 51 2HZ LYS 51 -11.080 9.961 6.667 385 HZ3 LYS 51 3HZ LYS 51 -9.542 9.381 7.067 386 H ASP 52 H ASP 52 -13.152 3.777 6.947 387 HA ASP 52 HA ASP 52 -13.626 5.852 8.826 388 HB2 ASP 52 1HB ASP 52 -15.184 3.566 7.724 389 HB3 ASP 52 2HB ASP 52 -15.748 4.284 9.230 390 H LYS 53 H LYS 53 -13.054 2.377 9.129 391 HA LYS 53 HA LYS 53 -13.029 2.657 12.053 392 HB2 LYS 53 1HB LYS 53 -13.020 0.117 10.416 393 HB3 LYS 53 2HB LYS 53 -13.244 0.248 12.155 394 HG2 LYS 53 1HG LYS 53 -15.124 1.503 10.177 395 HG3 LYS 53 2HG LYS 53 -15.322 -0.143 10.782 396 HD2 LYS 53 1HD LYS 53 -15.583 0.630 13.022 397 HD3 LYS 53 2HD LYS 53 -15.103 2.269 12.575 398 HE2 LYS 53 1HE LYS 53 -17.112 2.682 11.466 399 HE3 LYS 53 2HE LYS 53 -17.493 0.967 11.320 400 HZ1 LYS 53 1HZ LYS 53 -18.889 1.691 12.997 401 HZ2 LYS 53 2HZ LYS 53 -17.730 2.715 13.682 402 HZ3 LYS 53 3HZ LYS 53 -17.593 1.039 13.867 403 H GLU 54 H GLU 54 -11.044 3.318 12.656 404 HA GLU 54 HA GLU 54 -8.710 1.959 11.500 405 HB2 GLU 54 1HB GLU 54 -8.826 4.467 11.403 406 HB3 GLU 54 2HB GLU 54 -8.747 4.482 13.159 407 HG2 GLU 54 1HG GLU 54 -6.571 3.301 13.019 408 HG3 GLU 54 2HG GLU 54 -6.645 3.462 11.265 409 H MET 55 H MET 55 -8.355 0.156 12.669 410 HA MET 55 HA MET 55 -8.339 0.387 15.602 411 HB2 MET 55 1HB MET 55 -8.802 -1.918 13.737 412 HB3 MET 55 2HB MET 55 -8.273 -2.208 15.389 413 HG2 MET 55 1HG MET 55 -10.541 -2.363 15.615 414 HG3 MET 55 2HG MET 55 -10.277 -0.664 16.004 415 HE1 MET 55 1HE MET 55 -11.351 0.938 15.379 416 HE2 MET 55 2HE MET 55 -11.608 1.429 13.704 417 HE3 MET 55 3HE MET 55 -12.931 0.713 14.627 418 H GLN 56 H GLN 56 -6.664 -0.882 16.742 419 HA GLN 56 HA GLN 56 -4.101 -0.129 16.036 420 HB2 GLN 56 1HB GLN 56 -4.948 -2.475 17.743 421 HB3 GLN 56 2HB GLN 56 -3.325 -1.800 17.693 422 HG2 GLN 56 1HG GLN 56 -4.153 -0.774 19.552 423 HG3 GLN 56 2HG GLN 56 -4.553 0.420 18.319 424 HE21 GLN 56 1HE2 GLN 56 -6.006 -2.596 19.508 425 HE22 GLN 56 2HE2 GLN 56 -7.589 -1.942 19.736 426 H SER 57 H SER 57 -5.427 -3.436 15.814 427 HA SER 57 HA SER 57 -3.255 -4.485 14.363 428 HB2 SER 57 1HB SER 57 -6.118 -5.472 14.411 429 HB3 SER 57 2HB SER 57 -4.703 -6.406 13.925 430 HG SER 57 HG SER 57 -5.414 -6.747 16.131 431 H TYR 58 H TYR 58 -2.656 -4.124 12.342 432 HA TYR 58 HA TYR 58 -4.715 -3.374 10.372 433 HB2 TYR 58 1HB TYR 58 -3.009 -1.956 9.270 434 HB3 TYR 58 2HB TYR 58 -3.383 -1.413 10.902 435 HD1 TYR 58 2HD TYR 58 -1.785 -2.281 12.778 436 HD2 TYR 58 1HD TYR 58 -0.793 -2.228 8.641 437 HE1 TYR 58 2HE TYR 58 0.604 -2.360 13.356 438 HE2 TYR 58 1HE TYR 58 1.599 -2.307 9.207 439 HH TYR 58 HH TYR 58 2.711 -2.956 12.396 440 H SER 59 H SER 59 -4.378 -4.069 8.221 441 HA SER 59 HA SER 59 -2.778 -6.512 8.053 442 HB2 SER 59 1HB SER 59 -4.913 -5.439 6.193 443 HB3 SER 59 2HB SER 59 -4.106 -6.999 6.034 444 HG SER 59 HG SER 59 -5.154 -6.623 8.518 445 H THR 60 H THR 60 -0.988 -6.669 6.860 446 HA THR 60 HA THR 60 -0.342 -4.441 5.038 447 HB THR 60 HB THR 60 1.694 -6.145 6.472 448 HG1 THR 60 1HG THR 60 1.875 -4.043 7.721 449 HG21 THR 60 1HG2 THR 60 1.787 -4.031 4.485 450 HG22 THR 60 2HG2 THR 60 3.063 -5.119 5.032 451 HG23 THR 60 3HG2 THR 60 2.731 -3.631 5.919 452 H LEU 61 H LEU 61 0.643 -4.916 3.074 453 HA LEU 61 HA LEU 61 0.542 -7.754 2.288 454 HB2 LEU 61 1HB LEU 61 -1.097 -6.104 1.241 455 HB3 LEU 61 2HB LEU 61 0.300 -5.420 0.412 456 HG LEU 61 HG LEU 61 0.689 -7.739 -0.544 457 HD11 LEU 61 1HD1 LEU 61 -1.997 -8.124 0.733 458 HD12 LEU 61 2HD1 LEU 61 -0.571 -9.159 0.815 459 HD13 LEU 61 3HD1 LEU 61 -1.501 -9.056 -0.680 460 HD21 LEU 61 1HD2 LEU 61 -0.152 -6.017 -1.953 461 HD22 LEU 61 2HD2 LEU 61 -1.761 -6.131 -1.240 462 HD23 LEU 61 3HD2 LEU 61 -1.142 -7.449 -2.236 463 H LYS 62 H LYS 62 2.075 -8.430 0.638 464 HA LYS 62 HA LYS 62 4.583 -6.886 0.754 465 HB2 LYS 62 1HB LYS 62 4.108 -9.862 0.792 466 HB3 LYS 62 2HB LYS 62 5.674 -9.174 0.383 467 HG2 LYS 62 1HG LYS 62 4.330 -8.366 2.920 468 HG3 LYS 62 2HG LYS 62 5.164 -9.918 2.821 469 HD2 LYS 62 1HD LYS 62 7.095 -8.451 1.809 470 HD3 LYS 62 2HD LYS 62 6.266 -7.150 2.666 471 HE2 LYS 62 1HE LYS 62 6.503 -8.294 4.757 472 HE3 LYS 62 2HE LYS 62 7.119 -9.738 3.955 473 HZ1 LYS 62 1HZ LYS 62 8.484 -7.102 3.939 474 HZ2 LYS 62 2HZ LYS 62 9.088 -8.557 3.323 475 HZ3 LYS 62 3HZ LYS 62 8.868 -8.370 4.990 476 H ALA 63 H ALA 63 5.422 -6.246 -1.123 477 HA ALA 63 HA ALA 63 4.666 -7.666 -3.581 478 HB1 ALA 63 1HB ALA 63 4.509 -5.409 -4.708 479 HB2 ALA 63 2HB ALA 63 3.197 -5.816 -3.602 480 HB3 ALA 63 3HB ALA 63 4.468 -4.705 -3.091 481 H VAL 64 H VAL 64 6.326 -8.058 -4.913 482 HA VAL 64 HA VAL 64 8.973 -7.208 -4.130 483 HB VAL 64 HB VAL 64 9.759 -8.634 -5.974 484 HG11 VAL 64 1HG1 VAL 64 9.377 -10.627 -4.886 485 HG12 VAL 64 2HG1 VAL 64 8.957 -9.462 -3.629 486 HG13 VAL 64 3HG1 VAL 64 7.685 -10.250 -4.563 487 HG21 VAL 64 1HG2 VAL 64 6.823 -9.088 -6.495 488 HG22 VAL 64 2HG2 VAL 64 7.955 -8.254 -7.559 489 HG23 VAL 64 3HG2 VAL 64 8.144 -9.980 -7.250 490 H THR 65 H THR 65 6.589 -6.286 -6.451 491 HA THR 65 HA THR 65 8.539 -4.496 -7.750 492 HB THR 65 HB THR 65 7.656 -6.051 -9.373 493 HG1 THR 65 1HG THR 65 7.882 -4.039 -10.262 494 HG21 THR 65 1HG2 THR 65 4.866 -5.061 -8.976 495 HG22 THR 65 2HG2 THR 65 5.483 -6.340 -7.931 496 HG23 THR 65 3HG2 THR 65 5.431 -6.576 -9.677 497 H THR 66 H THR 66 7.524 -2.463 -8.627 498 HA THR 66 HA THR 66 6.290 -1.040 -6.515 499 HB THR 66 HB THR 66 6.143 0.841 -8.098 500 HG1 THR 66 1HG THR 66 6.581 -1.223 -9.930 501 HG21 THR 66 1HG2 THR 66 8.400 -0.242 -7.057 502 HG22 THR 66 2HG2 THR 66 8.356 1.273 -7.959 503 HG23 THR 66 3HG2 THR 66 8.805 -0.225 -8.772 504 H ARG 67 H ARG 67 4.962 -3.226 -8.585 505 HA ARG 67 HA ARG 67 2.329 -1.903 -8.526 506 HB2 ARG 67 1HB ARG 67 3.079 -4.157 -10.377 507 HB3 ARG 67 2HB ARG 67 1.717 -3.052 -10.501 508 HG2 ARG 67 1HG ARG 67 3.191 -1.228 -11.058 509 HG3 ARG 67 2HG ARG 67 4.603 -2.257 -10.811 510 HD2 ARG 67 1HD ARG 67 4.098 -3.574 -12.701 511 HD3 ARG 67 2HD ARG 67 2.464 -2.920 -12.815 512 HE ARG 67 HE ARG 67 3.303 -1.065 -13.902 513 HH11 ARG 67 2HH1 ARG 67 5.909 -3.006 -12.653 514 HH12 ARG 67 1HH1 ARG 67 7.137 -2.156 -13.531 515 HH21 ARG 67 2HH2 ARG 67 4.910 0.063 -15.063 516 HH22 ARG 67 1HH2 ARG 67 6.568 -0.410 -14.900 517 H ALA 68 H ALA 68 0.789 -2.811 -7.327 518 HA ALA 68 HA ALA 68 0.839 -5.672 -6.781 519 HB1 ALA 68 1HB ALA 68 0.741 -5.442 -4.396 520 HB2 ALA 68 2HB ALA 68 2.177 -4.600 -4.980 521 HB3 ALA 68 3HB ALA 68 0.743 -3.682 -4.519 522 H THR 69 H THR 69 -1.161 -6.463 -5.860 523 HA THR 69 HA THR 69 -3.430 -4.617 -6.217 524 HB THR 69 HB THR 69 -3.321 -7.510 -7.094 525 HG1 THR 69 1HG THR 69 -3.555 -5.097 -8.599 526 HG21 THR 69 1HG2 THR 69 -5.527 -7.030 -6.287 527 HG22 THR 69 2HG2 THR 69 -5.579 -6.998 -8.049 528 HG23 THR 69 3HG2 THR 69 -5.559 -5.488 -7.140 529 H VAL 70 H VAL 70 -4.178 -4.300 -4.214 530 HA VAL 70 HA VAL 70 -4.002 -6.255 -2.139 531 HB VAL 70 HB VAL 70 -5.582 -3.682 -2.251 532 HG11 VAL 70 1HG1 VAL 70 -4.825 -5.283 0.185 533 HG12 VAL 70 2HG1 VAL 70 -5.863 -3.857 0.108 534 HG13 VAL 70 3HG1 VAL 70 -6.401 -5.381 -0.598 535 HG21 VAL 70 1HG2 VAL 70 -3.160 -3.960 -0.580 536 HG22 VAL 70 2HG2 VAL 70 -2.908 -3.879 -2.323 537 HG23 VAL 70 3HG2 VAL 70 -3.756 -2.574 -1.493 538 H SER 71 H SER 71 -5.298 -7.931 -1.839 539 HA SER 71 HA SER 71 -8.075 -7.760 -2.814 540 HB2 SER 71 1HB SER 71 -7.114 -9.334 -4.254 541 HB3 SER 71 2HB SER 71 -6.086 -10.007 -2.989 542 HG SER 71 HG SER 71 -8.348 -10.970 -3.781 543 H GLY 72 H GLY 72 -9.627 -9.106 -1.648 544 HA2 GLY 72 1HA GLY 72 -10.411 -10.234 0.249 545 HA3 GLY 72 2HA GLY 72 -8.833 -10.030 0.996 546 H LEU 73 H LEU 73 -10.831 -7.493 -0.429 547 HA LEU 73 HA LEU 73 -10.931 -6.213 2.217 548 HB2 LEU 73 1HB LEU 73 -11.356 -4.911 -0.464 549 HB3 LEU 73 2HB LEU 73 -11.136 -4.113 1.092 550 HG LEU 73 HG LEU 73 -8.971 -5.803 -0.122 551 HD11 LEU 73 1HD1 LEU 73 -8.029 -3.567 -0.890 552 HD12 LEU 73 2HD1 LEU 73 -9.669 -2.943 -0.713 553 HD13 LEU 73 3HD1 LEU 73 -9.343 -4.256 -1.844 554 HD21 LEU 73 1HD2 LEU 73 -8.221 -3.456 1.391 555 HD22 LEU 73 2HD2 LEU 73 -7.772 -5.144 1.633 556 HD23 LEU 73 3HD2 LEU 73 -9.270 -4.522 2.326 557 H LYS 74 H LYS 74 -12.895 -4.609 2.319 558 HA LYS 74 HA LYS 74 -15.282 -6.215 1.736 559 HB2 LYS 74 1HB LYS 74 -14.679 -4.104 3.794 560 HB3 LYS 74 2HB LYS 74 -16.333 -4.578 3.426 561 HG2 LYS 74 1HG LYS 74 -16.027 -6.736 4.252 562 HG3 LYS 74 2HG LYS 74 -14.268 -6.614 4.177 563 HD2 LYS 74 1HD LYS 74 -14.852 -6.437 6.466 564 HD3 LYS 74 2HD LYS 74 -14.442 -4.805 5.933 565 HE2 LYS 74 1HE LYS 74 -16.425 -4.694 7.277 566 HE3 LYS 74 2HE LYS 74 -16.866 -4.368 5.601 567 HZ1 LYS 74 1HZ LYS 74 -17.033 -7.143 6.441 568 HZ2 LYS 74 2HZ LYS 74 -18.078 -6.242 5.463 569 HZ3 LYS 74 3HZ LYS 74 -18.159 -6.097 7.147 570 HA PRO 75 HA PRO 75 -16.593 -3.326 -1.324 571 HB2 PRO 75 1HB PRO 75 -19.237 -3.943 -1.354 572 HB3 PRO 75 2HB PRO 75 -17.999 -4.986 -2.065 573 HG2 PRO 75 1HG PRO 75 -19.359 -5.201 0.594 574 HG3 PRO 75 2HG PRO 75 -18.980 -6.479 -0.576 575 HD2 PRO 75 1HD PRO 75 -17.474 -6.030 1.628 576 HD3 PRO 75 2HD PRO 75 -16.783 -6.627 0.105 577 H GLY 76 H GLY 76 -17.889 -1.429 -1.596 578 HA2 GLY 76 1HA GLY 76 -18.600 0.622 -0.823 579 HA3 GLY 76 2HA GLY 76 -19.753 -0.346 0.085 580 H THR 77 H THR 77 -16.234 -0.155 0.457 581 HA THR 77 HA THR 77 -16.562 1.265 2.988 582 HB THR 77 HB THR 77 -15.139 -1.395 2.781 583 HG1 THR 77 1HG THR 77 -17.627 -1.030 3.120 584 HG21 THR 77 1HG2 THR 77 -14.705 0.805 4.536 585 HG22 THR 77 2HG2 THR 77 -13.952 -0.790 4.565 586 HG23 THR 77 3HG2 THR 77 -15.445 -0.503 5.459 587 H ARG 78 H ARG 78 -15.132 2.860 3.058 588 HA ARG 78 HA ARG 78 -13.045 3.133 1.167 589 HB2 ARG 78 1HB ARG 78 -14.015 4.661 3.521 590 HB3 ARG 78 2HB ARG 78 -12.362 4.964 3.003 591 HG2 ARG 78 1HG ARG 78 -13.410 5.254 0.654 592 HG3 ARG 78 2HG ARG 78 -14.920 5.461 1.544 593 HD2 ARG 78 1HD ARG 78 -13.729 7.218 2.911 594 HD3 ARG 78 2HD ARG 78 -12.411 7.111 1.745 595 HE ARG 78 HE ARG 78 -14.989 8.347 1.352 596 HH11 ARG 78 2HH1 ARG 78 -12.157 7.007 -0.165 597 HH12 ARG 78 1HH1 ARG 78 -12.381 7.875 -1.648 598 HH21 ARG 78 2HH2 ARG 78 -15.295 9.495 -0.595 599 HH22 ARG 78 1HH2 ARG 78 -14.166 9.290 -1.891 600 H TYR 79 H TYR 79 -10.842 2.906 1.358 601 HA TYR 79 HA TYR 79 -9.808 1.762 3.857 602 HB2 TYR 79 1HB TYR 79 -9.788 0.545 1.143 603 HB3 TYR 79 2HB TYR 79 -8.337 0.357 2.121 604 HD1 TYR 79 2HD TYR 79 -8.577 -0.679 4.433 605 HD2 TYR 79 1HD TYR 79 -11.667 -0.813 1.511 606 HE1 TYR 79 2HE TYR 79 -9.624 -2.552 5.634 607 HE2 TYR 79 1HE TYR 79 -12.723 -2.687 2.705 608 HH TYR 79 HH TYR 79 -12.774 -3.640 4.955 609 H VAL 80 H VAL 80 -7.937 2.625 4.503 610 HA VAL 80 HA VAL 80 -6.686 4.636 2.813 611 HB VAL 80 HB VAL 80 -6.016 3.889 5.661 612 HG11 VAL 80 1HG1 VAL 80 -5.441 6.589 5.065 613 HG12 VAL 80 2HG1 VAL 80 -4.307 5.288 5.434 614 HG13 VAL 80 3HG1 VAL 80 -4.766 5.612 3.761 615 HG21 VAL 80 1HG2 VAL 80 -7.613 6.290 4.851 616 HG22 VAL 80 2HG2 VAL 80 -8.399 4.737 5.134 617 HG23 VAL 80 3HG2 VAL 80 -7.491 5.514 6.431 618 H PHE 81 H PHE 81 -5.262 3.869 1.381 619 HA PHE 81 HA PHE 81 -3.586 1.587 2.031 620 HB2 PHE 81 1HB PHE 81 -3.881 3.231 -0.489 621 HB3 PHE 81 2HB PHE 81 -2.784 1.863 -0.331 622 HD1 PHE 81 1HD PHE 81 -3.740 -0.411 0.131 623 HD2 PHE 81 2HD PHE 81 -6.154 2.919 -0.966 624 HE1 PHE 81 1HE PHE 81 -5.558 -1.943 -0.505 625 HE2 PHE 81 2HE PHE 81 -7.976 1.392 -1.602 626 HZ PHE 81 HZ PHE 81 -7.680 -1.042 -1.371 627 H GLN 82 H GLN 82 -1.331 1.614 2.079 628 HA GLN 82 HA GLN 82 0.064 4.153 1.897 629 HB2 GLN 82 1HB GLN 82 -0.163 2.589 4.466 630 HB3 GLN 82 2HB GLN 82 1.117 3.759 4.174 631 HG2 GLN 82 1HG GLN 82 -1.799 4.451 3.986 632 HG3 GLN 82 2HG GLN 82 -0.871 4.581 5.479 633 HE21 GLN 82 1HE2 GLN 82 -0.101 6.516 5.878 634 HE22 GLN 82 2HE2 GLN 82 0.314 7.715 4.706 635 H VAL 83 H VAL 83 1.727 3.689 0.629 636 HA VAL 83 HA VAL 83 2.901 1.016 0.677 637 HB VAL 83 HB VAL 83 3.445 3.333 -1.185 638 HG11 VAL 83 1HG1 VAL 83 5.033 1.129 -0.686 639 HG12 VAL 83 2HG1 VAL 83 4.119 0.670 -2.124 640 HG13 VAL 83 3HG1 VAL 83 5.083 2.147 -2.125 641 HG21 VAL 83 1HG2 VAL 83 2.096 2.162 -2.799 642 HG22 VAL 83 2HG2 VAL 83 1.850 0.821 -1.680 643 HG23 VAL 83 3HG2 VAL 83 1.150 2.402 -1.330 644 H ARG 84 H ARG 84 4.973 0.568 1.272 645 HA ARG 84 HA ARG 84 6.715 2.784 2.068 646 HB2 ARG 84 1HB ARG 84 7.169 1.889 4.218 647 HB3 ARG 84 2HB ARG 84 5.418 1.911 4.057 648 HG2 ARG 84 1HG ARG 84 5.247 -0.341 4.090 649 HG3 ARG 84 2HG ARG 84 6.780 -0.580 3.250 650 HD2 ARG 84 1HD ARG 84 7.374 -1.320 5.322 651 HD3 ARG 84 2HD ARG 84 7.751 0.393 5.511 652 HE ARG 84 HE ARG 84 5.233 0.324 6.373 653 HH11 ARG 84 2HH1 ARG 84 7.931 -1.764 7.070 654 HH12 ARG 84 1HH1 ARG 84 7.382 -2.157 8.666 655 HH21 ARG 84 2HH2 ARG 84 4.500 -0.186 8.472 656 HH22 ARG 84 1HH2 ARG 84 5.430 -1.259 9.462 657 H ALA 85 H ALA 85 8.957 2.211 2.226 658 HA ALA 85 HA ALA 85 9.624 -0.128 0.573 659 HB1 ALA 85 1HB ALA 85 10.846 1.305 -0.599 660 HB2 ALA 85 2HB ALA 85 10.519 2.596 0.558 661 HB3 ALA 85 3HB ALA 85 11.886 1.512 0.811 662 H ARG 86 H ARG 86 10.416 -1.826 1.611 663 HA ARG 86 HA ARG 86 11.719 -1.429 4.210 664 HB2 ARG 86 1HB ARG 86 9.866 -2.967 4.288 665 HB3 ARG 86 2HB ARG 86 10.507 -3.879 2.928 666 HG2 ARG 86 1HG ARG 86 12.574 -4.162 4.546 667 HG3 ARG 86 2HG ARG 86 11.339 -3.876 5.774 668 HD2 ARG 86 1HD ARG 86 9.980 -5.683 4.677 669 HD3 ARG 86 2HD ARG 86 11.391 -6.042 3.683 670 HE ARG 86 HE ARG 86 12.360 -7.070 5.488 671 HH11 ARG 86 2HH1 ARG 86 9.651 -5.167 6.565 672 HH12 ARG 86 1HH1 ARG 86 9.691 -5.788 8.182 673 HH21 ARG 86 2HH2 ARG 86 12.422 -7.895 7.613 674 HH22 ARG 86 1HH2 ARG 86 11.268 -7.339 8.777 675 H THR 87 H THR 87 13.849 -1.594 4.371 676 HA THR 87 HA THR 87 15.305 -3.089 2.287 677 HB THR 87 HB THR 87 17.229 -1.521 2.766 678 HG1 THR 87 1HG THR 87 16.529 -0.617 4.710 679 HG21 THR 87 1HG2 THR 87 16.583 -0.507 0.889 680 HG22 THR 87 2HG2 THR 87 15.342 0.393 1.761 681 HG23 THR 87 3HG2 THR 87 14.978 -1.203 1.106 682 H SER 88 H SER 88 17.010 -4.383 2.916 683 HA SER 88 HA SER 88 16.957 -5.887 5.112 684 HB2 SER 88 1HB SER 88 18.591 -6.309 3.382 685 HB3 SER 88 2HB SER 88 19.463 -4.829 3.785 686 HG SER 88 HG SER 88 19.454 -7.293 5.055 687 H ALA 89 H ALA 89 18.711 -2.797 4.956 688 HA ALA 89 HA ALA 89 19.761 -2.724 7.505 689 HB1 ALA 89 1HB ALA 89 18.995 -0.102 7.027 690 HB2 ALA 89 2HB ALA 89 20.525 -0.854 6.571 691 HB3 ALA 89 3HB ALA 89 19.190 -0.801 5.419 692 H GLY 90 H GLY 90 16.696 -1.167 6.522 693 HA2 GLY 90 1HA GLY 90 15.388 -2.048 8.936 694 HA3 GLY 90 2HA GLY 90 15.755 -0.329 8.929 695 H CYS 91 H CYS 91 13.488 0.084 9.025 696 HA CYS 91 HA CYS 91 12.110 -0.357 6.457 697 HB2 CYS 91 1HB CYS 91 10.930 -0.084 9.229 698 HB3 CYS 91 2HB CYS 91 9.987 -0.177 7.747 699 HG CYS 91 HG CYS 91 12.164 -2.694 8.325 700 H GLY 92 H GLY 92 10.650 1.339 5.757 701 HA2 GLY 92 1HA GLY 92 11.582 3.991 6.660 702 HA3 GLY 92 2HA GLY 92 11.045 3.627 5.026 703 H ARG 93 H ARG 93 9.893 5.749 5.972 704 HA ARG 93 HA ARG 93 7.575 5.273 7.570 705 HB2 ARG 93 1HB ARG 93 8.261 7.614 5.782 706 HB3 ARG 93 2HB ARG 93 6.956 7.581 6.960 707 HG2 ARG 93 1HG ARG 93 8.635 7.243 8.747 708 HG3 ARG 93 2HG ARG 93 9.906 7.414 7.534 709 HD2 ARG 93 1HD ARG 93 9.387 9.664 7.145 710 HD3 ARG 93 2HD ARG 93 7.804 9.521 7.909 711 HE ARG 93 HE ARG 93 8.790 9.862 9.955 712 HH11 ARG 93 2HH1 ARG 93 11.244 9.220 7.571 713 HH12 ARG 93 1HH1 ARG 93 12.558 9.637 8.622 714 HH21 ARG 93 2HH2 ARG 93 10.510 10.414 11.347 715 HH22 ARG 93 1HH2 ARG 93 12.139 10.315 10.769 716 H PHE 94 H PHE 94 5.353 5.726 6.803 717 HA PHE 94 HA PHE 94 4.834 4.212 4.393 718 HB2 PHE 94 1HB PHE 94 3.246 5.143 6.721 719 HB3 PHE 94 2HB PHE 94 2.374 4.926 5.207 720 HD1 PHE 94 1HD PHE 94 3.179 2.623 3.964 721 HD2 PHE 94 2HD PHE 94 3.132 3.371 8.154 722 HE1 PHE 94 1HE PHE 94 3.040 0.204 4.391 723 HE2 PHE 94 2HE PHE 94 2.993 0.953 8.588 724 HZ PHE 94 HZ PHE 94 2.948 -0.634 6.705 725 H SER 95 H SER 95 3.806 4.951 2.555 726 HA SER 95 HA SER 95 4.372 7.545 1.698 727 HB2 SER 95 1HB SER 95 2.979 7.037 -0.247 728 HB3 SER 95 2HB SER 95 3.974 5.642 0.170 729 HG SER 95 HG SER 95 1.209 6.027 0.528 730 H GLN 96 H GLN 96 2.538 8.980 0.722 731 HA GLN 96 HA GLN 96 1.188 10.205 2.817 732 HB2 GLN 96 1HB GLN 96 1.052 10.365 -0.149 733 HB3 GLN 96 2HB GLN 96 -0.279 11.072 0.758 734 HG2 GLN 96 1HG GLN 96 1.215 12.539 1.921 735 HG3 GLN 96 2HG GLN 96 2.618 11.747 1.206 736 HE21 GLN 96 1HE2 GLN 96 2.726 14.273 0.842 737 HE22 GLN 96 2HE2 GLN 96 2.213 14.773 -0.730 738 H ALA 97 H ALA 97 -0.775 9.982 3.738 739 HA ALA 97 HA ALA 97 -2.156 7.593 3.683 740 HB1 ALA 97 1HB ALA 97 -2.501 10.177 4.888 741 HB2 ALA 97 2HB ALA 97 -4.058 9.534 4.364 742 HB3 ALA 97 3HB ALA 97 -3.039 8.596 5.456 743 H MET 98 H MET 98 -2.855 6.742 1.799 744 HA MET 98 HA MET 98 -4.218 8.377 -0.164 745 HB2 MET 98 1HB MET 98 -2.724 6.700 -1.013 746 HB3 MET 98 2HB MET 98 -3.522 5.441 -0.079 747 HG2 MET 98 1HG MET 98 -4.466 5.036 -2.092 748 HG3 MET 98 2HG MET 98 -5.613 6.232 -1.491 749 HE1 MET 98 1HE MET 98 -3.788 6.101 -5.332 750 HE2 MET 98 2HE MET 98 -4.496 4.955 -4.194 751 HE3 MET 98 3HE MET 98 -5.518 6.150 -4.993 752 H GLU 99 H GLU 99 -6.367 8.196 -0.772 753 HA GLU 99 HA GLU 99 -8.087 6.628 1.033 754 HB2 GLU 99 1HB GLU 99 -8.366 9.470 0.104 755 HB3 GLU 99 2HB GLU 99 -9.781 8.539 0.573 756 HG2 GLU 99 1HG GLU 99 -8.675 8.116 2.771 757 HG3 GLU 99 2HG GLU 99 -7.413 9.247 2.284 758 H VAL 100 H VAL 100 -9.337 5.208 0.026 759 HA VAL 100 HA VAL 100 -10.397 5.799 -2.624 760 HB VAL 100 HB VAL 100 -8.740 3.339 -2.053 761 HG11 VAL 100 1HG1 VAL 100 -9.247 2.952 -4.562 762 HG12 VAL 100 2HG1 VAL 100 -10.464 2.506 -3.363 763 HG13 VAL 100 3HG1 VAL 100 -10.630 4.008 -4.274 764 HG21 VAL 100 1HG2 VAL 100 -7.572 5.516 -2.620 765 HG22 VAL 100 2HG2 VAL 100 -7.214 4.142 -3.666 766 HG23 VAL 100 3HG2 VAL 100 -8.329 5.396 -4.209 767 H GLU 101 H GLU 101 -12.252 4.618 -3.160 768 HA GLU 101 HA GLU 101 -13.408 3.076 -0.929 769 HB2 GLU 101 1HB GLU 101 -14.392 5.404 -1.699 770 HB3 GLU 101 2HB GLU 101 -15.140 4.426 -2.954 771 HG2 GLU 101 1HG GLU 101 -15.857 2.942 -0.905 772 HG3 GLU 101 2HG GLU 101 -15.624 4.451 -0.024 773 H THR 102 H THR 102 -14.204 1.093 -1.340 774 HA THR 102 HA THR 102 -13.633 -0.105 -3.888 775 HB THR 102 HB THR 102 -14.657 -2.163 -2.831 776 HG1 THR 102 1HG THR 102 -14.508 -1.348 -0.297 777 HG21 THR 102 1HG2 THR 102 -12.371 -2.217 -2.656 778 HG22 THR 102 2HG2 THR 102 -12.798 -2.154 -0.947 779 HG23 THR 102 3HG2 THR 102 -12.293 -0.687 -1.784 780 H GLY 103 H GLY 103 -15.345 -1.607 -4.869 781 HA2 GLY 103 1HA GLY 103 -17.592 0.032 -5.606 782 HA3 GLY 103 2HA GLY 103 -17.218 -1.568 -6.228 783 H LYS 104 H LYS 104 -19.427 0.149 -4.514 784 HA LYS 104 HA LYS 104 -20.150 -1.439 -2.356 785 HB2 LYS 104 1HB LYS 104 -21.578 0.471 -4.131 786 HB3 LYS 104 2HB LYS 104 -22.565 -0.582 -3.125 787 HG2 LYS 104 1HG LYS 104 -21.229 0.217 -1.155 788 HG3 LYS 104 2HG LYS 104 -20.506 1.417 -2.229 789 HD2 LYS 104 1HD LYS 104 -23.471 1.211 -2.161 790 HD3 LYS 104 2HD LYS 104 -22.661 1.948 -0.776 791 HE2 LYS 104 1HE LYS 104 -21.414 3.358 -2.535 792 HE3 LYS 104 2HE LYS 104 -22.682 2.834 -3.642 793 HZ1 LYS 104 1HZ LYS 104 -23.779 4.599 -2.866 794 HZ2 LYS 104 2HZ LYS 104 -22.794 4.755 -1.500 795 HZ3 LYS 104 3HZ LYS 104 -24.084 3.660 -1.492 796 HA PRO 105 HA PRO 105 -21.800 -5.173 -3.969 797 HB2 PRO 105 1HB PRO 105 -23.826 -5.667 -2.230 798 HB3 PRO 105 2HB PRO 105 -22.122 -5.838 -1.793 799 HG2 PRO 105 1HG PRO 105 -24.000 -3.574 -1.240 800 HG3 PRO 105 2HG PRO 105 -22.807 -4.327 -0.165 801 HD2 PRO 105 1HD PRO 105 -22.342 -1.987 -1.447 802 HD3 PRO 105 2HD PRO 105 -21.051 -3.150 -1.084 803 H SER 106 H SER 106 -24.217 -2.687 -3.205 804 HA SER 106 HA SER 106 -25.816 -3.645 -5.488 805 HB2 SER 106 1HB SER 106 -27.786 -2.720 -4.379 806 HB3 SER 106 2HB SER 106 -26.966 -3.851 -3.303 807 HG SER 106 HG SER 106 -27.499 -1.246 -2.926 808 H GLY 107 H GLY 107 -26.671 -2.133 -6.929 809 HA2 GLY 107 1HA GLY 107 -27.085 0.148 -7.601 810 HA3 GLY 107 2HA GLY 107 -25.708 0.636 -6.623 811 HA PRO 108 HA PRO 108 -24.443 0.306 -11.111 812 HB2 PRO 108 1HB PRO 108 -23.455 2.828 -11.296 813 HB3 PRO 108 2HB PRO 108 -25.149 2.434 -11.612 814 HG2 PRO 108 1HG PRO 108 -23.898 3.572 -9.142 815 HG3 PRO 108 2HG PRO 108 -25.409 4.035 -9.946 816 HD2 PRO 108 1HD PRO 108 -25.354 2.459 -7.745 817 HD3 PRO 108 2HD PRO 108 -26.589 2.292 -9.008 818 H SER 109 H SER 109 -22.164 1.147 -11.949 819 HA SER 109 HA SER 109 -20.205 0.353 -9.900 820 HB2 SER 109 1HB SER 109 -20.483 -1.122 -11.942 821 HB3 SER 109 2HB SER 109 -19.830 0.210 -12.897 822 HG SER 109 HG SER 109 -18.087 -0.990 -12.387 823 H SER 110 H SER 110 -18.729 1.782 -9.271 824 HA SER 110 HA SER 110 -18.726 4.434 -10.341 825 HB2 SER 110 1HB SER 110 -18.353 3.939 -7.932 826 HB3 SER 110 2HB SER 110 -16.811 3.192 -8.351 827 HG SER 110 HG SER 110 -16.914 5.547 -7.688 828 H GLY 111 H GLY 111 -16.435 1.725 -10.382 829 HA2 GLY 111 1HA GLY 111 -15.155 1.299 -12.391 830 HA3 GLY 111 2HA GLY 111 -15.091 3.035 -12.656 Start of MODEL 9 1 H1 GLY 1 H GLY 1 26.626 19.445 4.995 2 HA2 GLY 1 1HA GLY 1 26.656 18.352 2.683 3 HA3 GLY 1 2HA GLY 1 27.265 17.359 3.999 4 H SER 2 H SER 2 26.266 16.241 1.670 5 HA SER 2 HA SER 2 23.568 15.316 2.318 6 HB2 SER 2 1HB SER 2 25.277 15.254 -0.141 7 HB3 SER 2 2HB SER 2 23.977 14.075 0.030 8 HG SER 2 HG SER 2 23.495 16.817 0.454 9 H SER 3 H SER 3 23.060 13.196 2.746 10 HA SER 3 HA SER 3 24.788 11.643 4.209 11 HB2 SER 3 1HB SER 3 22.431 10.722 2.547 12 HB3 SER 3 2HB SER 3 23.214 9.761 3.801 13 HG SER 3 HG SER 3 21.768 10.713 5.014 14 H GLY 4 H GLY 4 23.983 11.254 0.760 15 HA2 GLY 4 1HA GLY 4 25.075 10.157 -0.935 16 HA3 GLY 4 2HA GLY 4 26.548 10.593 -0.080 17 H SER 5 H SER 5 23.904 8.413 0.857 18 HA SER 5 HA SER 5 23.933 6.263 1.611 19 HB2 SER 5 1HB SER 5 24.801 4.673 0.114 20 HB3 SER 5 2HB SER 5 24.492 6.076 -0.909 21 HG SER 5 HG SER 5 26.989 5.306 0.203 22 H SER 6 H SER 6 25.528 8.018 3.103 23 HA SER 6 HA SER 6 28.135 7.303 3.612 24 HB2 SER 6 1HB SER 6 26.652 9.152 4.685 25 HB3 SER 6 2HB SER 6 26.268 7.920 5.886 26 HG SER 6 HG SER 6 28.938 8.521 5.197 27 H GLY 7 H GLY 7 25.314 6.081 5.434 28 HA2 GLY 7 1HA GLY 7 26.459 3.420 5.488 29 HA3 GLY 7 2HA GLY 7 26.422 4.232 7.046 30 H GLN 8 H GLN 8 24.991 2.703 7.907 31 HA GLN 8 HA GLN 8 22.588 1.870 6.774 32 HB2 GLN 8 1HB GLN 8 23.367 2.199 9.673 33 HB3 GLN 8 2HB GLN 8 21.886 1.410 9.147 34 HG2 GLN 8 1HG GLN 8 22.984 -0.425 8.333 35 HG3 GLN 8 2HG GLN 8 24.480 0.463 8.044 36 HE21 GLN 8 1HE2 GLN 8 25.615 -1.220 9.092 37 HE22 GLN 8 2HE2 GLN 8 25.639 -1.339 10.815 38 H ALA 9 H ALA 9 21.059 3.184 6.022 39 HA ALA 9 HA ALA 9 19.920 5.173 7.836 40 HB1 ALA 9 1HB ALA 9 21.656 6.009 5.924 41 HB2 ALA 9 2HB ALA 9 20.118 6.127 5.068 42 HB3 ALA 9 3HB ALA 9 20.349 6.990 6.589 43 H ALA 10 H ALA 10 17.737 5.480 7.598 44 HA ALA 10 HA ALA 10 16.236 3.435 6.376 45 HB1 ALA 10 1HB ALA 10 15.712 5.773 7.998 46 HB2 ALA 10 2HB ALA 10 14.470 5.538 6.768 47 HB3 ALA 10 3HB ALA 10 14.839 4.243 7.907 48 HA PRO 11 HA PRO 11 15.885 4.822 2.211 49 HB2 PRO 11 1HB PRO 11 13.601 3.526 1.523 50 HB3 PRO 11 2HB PRO 11 15.150 2.700 1.727 51 HG2 PRO 11 1HG PRO 11 12.855 2.918 3.636 52 HG3 PRO 11 2HG PRO 11 13.852 1.505 3.241 53 HD2 PRO 11 1HD PRO 11 14.235 2.981 5.479 54 HD3 PRO 11 2HD PRO 11 15.567 2.172 4.629 55 H SER 12 H SER 12 14.612 6.152 0.838 56 HA SER 12 HA SER 12 13.188 8.197 2.186 57 HB2 SER 12 1HB SER 12 14.523 8.342 -0.018 58 HB3 SER 12 2HB SER 12 13.057 7.737 -0.789 59 HG SER 12 HG SER 12 13.582 10.209 0.342 60 H GLN 13 H GLN 13 11.078 8.450 2.586 61 HA GLN 13 HA GLN 13 9.278 6.302 2.305 62 HB2 GLN 13 1HB GLN 13 9.231 8.228 4.000 63 HB3 GLN 13 2HB GLN 13 8.446 9.163 2.734 64 HG2 GLN 13 1HG GLN 13 6.741 7.284 2.619 65 HG3 GLN 13 2HG GLN 13 7.441 6.707 4.130 66 HE21 GLN 13 1HE2 GLN 13 5.672 9.285 2.589 67 HE22 GLN 13 2HE2 GLN 13 5.073 10.008 4.039 68 H VAL 14 H VAL 14 8.037 5.690 0.663 69 HA VAL 14 HA VAL 14 8.160 6.882 -1.870 70 HB VAL 14 HB VAL 14 6.111 4.956 -0.768 71 HG11 VAL 14 1HG1 VAL 14 5.111 5.946 -2.662 72 HG12 VAL 14 2HG1 VAL 14 6.625 5.924 -3.569 73 HG13 VAL 14 3HG1 VAL 14 5.781 4.414 -3.220 74 HG21 VAL 14 1HG2 VAL 14 8.744 4.624 -2.159 75 HG22 VAL 14 2HG2 VAL 14 8.165 3.858 -0.680 76 HG23 VAL 14 3HG2 VAL 14 7.508 3.369 -2.241 77 H VAL 15 H VAL 15 7.379 8.814 -2.391 78 HA VAL 15 HA VAL 15 4.850 9.703 -1.180 79 HB VAL 15 HB VAL 15 5.528 11.980 -1.989 80 HG11 VAL 15 1HG1 VAL 15 7.764 11.163 -0.258 81 HG12 VAL 15 2HG1 VAL 15 6.521 12.392 -0.009 82 HG13 VAL 15 3HG1 VAL 15 6.159 10.694 0.303 83 HG21 VAL 15 1HG2 VAL 15 8.333 11.056 -2.240 84 HG22 VAL 15 2HG2 VAL 15 7.258 10.755 -3.605 85 HG23 VAL 15 3HG2 VAL 15 7.508 12.402 -3.026 86 H VAL 16 H VAL 16 5.414 7.936 -3.631 87 HA VAL 16 HA VAL 16 3.637 9.415 -5.454 88 HB VAL 16 HB VAL 16 5.764 9.484 -6.525 89 HG11 VAL 16 1HG1 VAL 16 7.194 7.594 -6.857 90 HG12 VAL 16 2HG1 VAL 16 6.783 7.670 -5.142 91 HG13 VAL 16 3HG1 VAL 16 5.985 6.497 -6.191 92 HG21 VAL 16 1HG2 VAL 16 4.699 9.042 -8.423 93 HG22 VAL 16 2HG2 VAL 16 5.110 7.339 -8.224 94 HG23 VAL 16 3HG2 VAL 16 3.585 7.958 -7.589 95 H ILE 17 H ILE 17 1.748 8.383 -5.201 96 HA ILE 17 HA ILE 17 1.674 5.523 -5.811 97 HB ILE 17 HB ILE 17 0.333 6.750 -3.399 98 HG12 ILE 17 1HG1 ILE 17 2.313 4.473 -3.524 99 HG13 ILE 17 2HG1 ILE 17 2.788 6.145 -3.244 100 HG21 ILE 17 1HG2 ILE 17 -0.678 4.750 -4.986 101 HG22 ILE 17 2HG2 ILE 17 0.164 3.860 -3.718 102 HG23 ILE 17 3HG2 ILE 17 -1.087 5.029 -3.293 103 HD11 ILE 17 1HD1 ILE 17 0.808 4.712 -1.504 104 HD12 ILE 17 2HD1 ILE 17 2.547 4.690 -1.205 105 HD13 ILE 17 3HD1 ILE 17 1.666 6.218 -1.177 106 H ARG 18 H ARG 18 -0.016 4.940 -7.060 107 HA ARG 18 HA ARG 18 -2.227 6.848 -7.392 108 HB2 ARG 18 1HB ARG 18 -0.924 5.381 -9.686 109 HB3 ARG 18 2HB ARG 18 -2.180 6.607 -9.781 110 HG2 ARG 18 1HG ARG 18 -0.688 8.327 -9.172 111 HG3 ARG 18 2HG ARG 18 0.546 7.174 -8.658 112 HD2 ARG 18 1HD ARG 18 0.972 6.507 -10.899 113 HD3 ARG 18 2HD ARG 18 -0.446 7.371 -11.492 114 HE ARG 18 HE ARG 18 1.337 9.167 -10.237 115 HH11 ARG 18 2HH1 ARG 18 0.957 7.272 -13.132 116 HH12 ARG 18 1HH1 ARG 18 1.912 8.337 -14.110 117 HH21 ARG 18 2HH2 ARG 18 2.597 10.576 -11.514 118 HH22 ARG 18 1HH2 ARG 18 2.845 10.215 -13.189 119 H GLN 19 H GLN 19 -4.002 5.741 -8.815 120 HA GLN 19 HA GLN 19 -4.334 2.980 -7.841 121 HB2 GLN 19 1HB GLN 19 -5.872 4.362 -6.647 122 HB3 GLN 19 2HB GLN 19 -6.368 5.189 -8.118 123 HG2 GLN 19 1HG GLN 19 -7.052 2.719 -8.810 124 HG3 GLN 19 2HG GLN 19 -7.171 2.546 -7.060 125 HE21 GLN 19 1HE2 GLN 19 -8.880 3.388 -6.019 126 HE22 GLN 19 2HE2 GLN 19 -10.149 4.280 -6.779 127 H GLU 20 H GLU 20 -4.073 1.644 -9.507 128 HA GLU 20 HA GLU 20 -4.501 2.400 -12.215 129 HB2 GLU 20 1HB GLU 20 -3.694 -0.062 -10.774 130 HB3 GLU 20 2HB GLU 20 -4.400 -0.285 -12.369 131 HG2 GLU 20 1HG GLU 20 -2.210 1.701 -12.000 132 HG3 GLU 20 2HG GLU 20 -1.827 -0.017 -12.087 133 H ARG 21 H ARG 21 -6.201 0.072 -10.113 134 HA ARG 21 HA ARG 21 -8.715 0.762 -11.400 135 HB2 ARG 21 1HB ARG 21 -7.751 -2.101 -11.308 136 HB3 ARG 21 2HB ARG 21 -9.286 -1.532 -11.950 137 HG2 ARG 21 1HG ARG 21 -7.961 -0.201 -13.627 138 HG3 ARG 21 2HG ARG 21 -6.537 -1.085 -13.073 139 HD2 ARG 21 1HD ARG 21 -9.047 -2.338 -14.181 140 HD3 ARG 21 2HD ARG 21 -7.553 -2.086 -15.083 141 HE ARG 21 HE ARG 21 -6.487 -3.668 -13.575 142 HH11 ARG 21 2HH1 ARG 21 -9.967 -3.575 -13.579 143 HH12 ARG 21 1HH1 ARG 21 -10.140 -5.180 -12.949 144 HH21 ARG 21 2HH2 ARG 21 -6.702 -5.781 -12.745 145 HH22 ARG 21 1HH2 ARG 21 -8.283 -6.433 -12.474 146 H ALA 22 H ALA 22 -10.515 0.357 -10.135 147 HA ALA 22 HA ALA 22 -9.996 -0.770 -7.462 148 HB1 ALA 22 1HB ALA 22 -11.447 1.751 -8.200 149 HB2 ALA 22 2HB ALA 22 -11.753 0.920 -6.674 150 HB3 ALA 22 3HB ALA 22 -10.137 1.524 -7.040 151 H GLY 23 H GLY 23 -11.217 -2.487 -7.054 152 HA2 GLY 23 1HA GLY 23 -13.776 -2.752 -8.504 153 HA3 GLY 23 2HA GLY 23 -12.778 -4.108 -8.001 154 H GLN 24 H GLN 24 -14.869 -4.835 -7.088 155 HA GLN 24 HA GLN 24 -16.122 -3.496 -4.954 156 HB2 GLN 24 1HB GLN 24 -16.164 -6.250 -6.062 157 HB3 GLN 24 2HB GLN 24 -16.749 -6.048 -4.416 158 HG2 GLN 24 1HG GLN 24 -18.574 -4.857 -5.057 159 HG3 GLN 24 2HG GLN 24 -17.774 -4.182 -6.476 160 HE21 GLN 24 1HE2 GLN 24 -19.691 -6.740 -5.223 161 HE22 GLN 24 2HE2 GLN 24 -19.962 -7.566 -6.716 162 H THR 25 H THR 25 -14.043 -6.393 -4.796 163 HA THR 25 HA THR 25 -13.194 -5.507 -2.115 164 HB THR 25 HB THR 25 -13.066 -7.726 -1.363 165 HG1 THR 25 1HG THR 25 -12.056 -8.596 -3.254 166 HG21 THR 25 1HG2 THR 25 -15.308 -8.762 -2.305 167 HG22 THR 25 2HG2 THR 25 -15.487 -7.152 -3.002 168 HG23 THR 25 3HG2 THR 25 -15.326 -7.345 -1.257 169 H SER 26 H SER 26 -12.076 -5.161 -4.956 170 HA SER 26 HA SER 26 -9.344 -6.028 -4.285 171 HB2 SER 26 1HB SER 26 -8.955 -6.361 -6.741 172 HB3 SER 26 2HB SER 26 -10.100 -7.504 -6.038 173 HG SER 26 HG SER 26 -11.027 -5.117 -7.197 174 H VAL 27 H VAL 27 -7.655 -4.682 -5.065 175 HA VAL 27 HA VAL 27 -8.288 -2.190 -6.373 176 HB VAL 27 HB VAL 27 -7.279 -2.153 -3.525 177 HG11 VAL 27 1HG1 VAL 27 -6.205 -0.474 -4.989 178 HG12 VAL 27 2HG1 VAL 27 -7.803 0.159 -5.389 179 HG13 VAL 27 3HG1 VAL 27 -7.207 0.250 -3.731 180 HG21 VAL 27 1HG2 VAL 27 -9.880 -1.269 -4.762 181 HG22 VAL 27 2HG2 VAL 27 -9.640 -2.508 -3.530 182 HG23 VAL 27 3HG2 VAL 27 -9.360 -0.812 -3.140 183 H SER 28 H SER 28 -6.507 -1.214 -7.285 184 HA SER 28 HA SER 28 -3.942 -2.617 -6.905 185 HB2 SER 28 1HB SER 28 -4.874 -3.085 -9.113 186 HB3 SER 28 2HB SER 28 -5.051 -1.359 -9.427 187 HG SER 28 HG SER 28 -2.746 -1.209 -9.222 188 H LEU 29 H LEU 29 -2.111 -1.421 -6.643 189 HA LEU 29 HA LEU 29 -2.411 1.509 -6.662 190 HB2 LEU 29 1HB LEU 29 -0.806 -0.109 -4.689 191 HB3 LEU 29 2HB LEU 29 -0.981 1.645 -4.709 192 HG LEU 29 HG LEU 29 -3.265 -0.266 -4.240 193 HD11 LEU 29 1HD1 LEU 29 -1.688 1.291 -2.199 194 HD12 LEU 29 2HD1 LEU 29 -1.536 -0.443 -2.481 195 HD13 LEU 29 3HD1 LEU 29 -3.059 0.224 -1.894 196 HD21 LEU 29 1HD2 LEU 29 -2.965 2.668 -4.410 197 HD22 LEU 29 2HD2 LEU 29 -3.988 2.054 -3.112 198 HD23 LEU 29 3HD2 LEU 29 -4.349 1.642 -4.789 199 H LEU 30 H LEU 30 -0.861 2.631 -7.688 200 HA LEU 30 HA LEU 30 1.467 1.124 -8.682 201 HB2 LEU 30 1HB LEU 30 -0.294 3.171 -9.914 202 HB3 LEU 30 2HB LEU 30 1.412 3.188 -10.356 203 HG LEU 30 HG LEU 30 -0.664 1.102 -10.912 204 HD11 LEU 30 1HD1 LEU 30 -0.524 2.472 -12.737 205 HD12 LEU 30 2HD1 LEU 30 0.717 1.287 -13.140 206 HD13 LEU 30 3HD1 LEU 30 1.177 2.850 -12.464 207 HD21 LEU 30 1HD2 LEU 30 1.492 -0.132 -11.832 208 HD22 LEU 30 2HD2 LEU 30 0.896 -0.393 -10.193 209 HD23 LEU 30 3HD2 LEU 30 2.246 0.707 -10.476 210 H TRP 31 H TRP 31 3.417 1.760 -8.042 211 HA TRP 31 HA TRP 31 3.880 4.541 -7.297 212 HB2 TRP 31 1HB TRP 31 4.802 4.032 -5.143 213 HB3 TRP 31 2HB TRP 31 3.204 3.295 -5.221 214 HD1 TRP 31 HD TRP 31 6.926 2.368 -5.198 215 HE1 TRP 31 1HE TRP 31 7.143 -0.122 -4.585 216 HE3 TRP 31 3HE TRP 31 1.978 1.083 -5.258 217 HZ2 TRP 31 2HZ TRP 31 5.442 -2.338 -4.181 218 HZ3 TRP 31 3HZ TRP 31 1.357 -1.243 -4.748 219 HH2 TRP 31 HH TRP 31 3.055 -2.917 -4.222 220 H GLN 32 H GLN 32 5.820 5.241 -7.956 221 HA GLN 32 HA GLN 32 7.618 3.314 -9.194 222 HB2 GLN 32 1HB GLN 32 8.614 5.150 -10.316 223 HB3 GLN 32 2HB GLN 32 6.881 5.450 -10.336 224 HG2 GLN 32 1HG GLN 32 7.026 7.221 -8.906 225 HG3 GLN 32 2HG GLN 32 8.483 6.611 -8.123 226 HE21 GLN 32 1HE2 GLN 32 7.341 8.976 -10.047 227 HE22 GLN 32 2HE2 GLN 32 8.786 9.404 -10.893 228 H GLU 33 H GLU 33 9.959 3.502 -8.862 229 HA GLU 33 HA GLU 33 10.716 3.170 -6.229 230 HB2 GLU 33 1HB GLU 33 12.181 3.704 -8.763 231 HB3 GLU 33 2HB GLU 33 13.071 3.891 -7.259 232 HG2 GLU 33 1HG GLU 33 13.011 1.669 -6.778 233 HG3 GLU 33 2HG GLU 33 11.489 1.412 -7.628 234 HA PRO 34 HA PRO 34 10.843 7.234 -4.526 235 HB2 PRO 34 1HB PRO 34 12.453 6.722 -2.401 236 HB3 PRO 34 2HB PRO 34 10.764 6.205 -2.474 237 HG2 PRO 34 1HG PRO 34 13.253 4.633 -3.020 238 HG3 PRO 34 2HG PRO 34 11.802 4.154 -2.119 239 HD2 PRO 34 1HD PRO 34 12.249 3.387 -4.677 240 HD3 PRO 34 2HD PRO 34 10.618 3.673 -4.037 241 H GLU 35 H GLU 35 12.180 9.029 -4.424 242 HA GLU 35 HA GLU 35 14.166 9.440 -6.175 243 HB2 GLU 35 1HB GLU 35 14.056 10.603 -3.387 244 HB3 GLU 35 2HB GLU 35 15.021 11.248 -4.707 245 HG2 GLU 35 1HG GLU 35 12.729 11.338 -5.952 246 HG3 GLU 35 2HG GLU 35 12.070 11.295 -4.318 247 H GLN 36 H GLN 36 14.934 8.783 -2.752 248 HA GLN 36 HA GLN 36 17.356 7.379 -3.668 249 HB2 GLN 36 1HB GLN 36 17.022 9.452 -1.538 250 HB3 GLN 36 2HB GLN 36 18.255 8.214 -1.343 251 HG2 GLN 36 1HG GLN 36 18.139 9.706 -3.909 252 HG3 GLN 36 2HG GLN 36 18.787 10.518 -2.485 253 HE21 GLN 36 1HE2 GLN 36 19.794 9.134 -5.123 254 HE22 GLN 36 2HE2 GLN 36 21.215 8.316 -4.579 255 HA PRO 37 HA PRO 37 15.141 4.228 -1.302 256 HB2 PRO 37 1HB PRO 37 16.553 2.155 -2.341 257 HB3 PRO 37 2HB PRO 37 15.199 2.914 -3.186 258 HG2 PRO 37 1HG PRO 37 18.140 3.340 -3.552 259 HG3 PRO 37 2HG PRO 37 16.872 3.176 -4.781 260 HD2 PRO 37 1HD PRO 37 17.879 5.577 -4.037 261 HD3 PRO 37 2HD PRO 37 16.194 5.368 -4.553 262 H ASN 38 H ASN 38 18.413 5.217 -1.333 263 HA ASN 38 HA ASN 38 20.155 4.961 0.108 264 HB2 ASN 38 1HB ASN 38 17.951 4.243 2.055 265 HB3 ASN 38 2HB ASN 38 19.587 4.732 2.485 266 HD21 ASN 38 1HD2 ASN 38 18.951 6.521 3.629 267 HD22 ASN 38 2HD2 ASN 38 18.281 7.927 2.880 268 H GLY 39 H GLY 39 19.756 2.772 -1.523 269 HA2 GLY 39 1HA GLY 39 21.248 0.808 -1.218 270 HA3 GLY 39 2HA GLY 39 20.391 0.523 0.289 271 H ILE 40 H ILE 40 20.380 -1.617 -1.090 272 HA ILE 40 HA ILE 40 18.384 -1.781 -3.134 273 HB ILE 40 HB ILE 40 19.691 -3.987 -1.537 274 HG12 ILE 40 1HG1 ILE 40 20.801 -4.200 -3.953 275 HG13 ILE 40 2HG1 ILE 40 20.449 -2.476 -3.992 276 HG21 ILE 40 1HG2 ILE 40 17.778 -4.966 -2.417 277 HG22 ILE 40 2HG2 ILE 40 17.840 -3.999 -3.889 278 HG23 ILE 40 3HG2 ILE 40 18.997 -5.308 -3.645 279 HD11 ILE 40 1HD1 ILE 40 22.268 -2.079 -2.810 280 HD12 ILE 40 2HD1 ILE 40 21.650 -3.079 -1.495 281 HD13 ILE 40 3HD1 ILE 40 22.621 -3.806 -2.775 282 H ILE 41 H ILE 41 16.259 -2.001 -2.911 283 HA ILE 41 HA ILE 41 15.127 -2.281 -0.254 284 HB ILE 41 HB ILE 41 13.763 -1.857 -2.916 285 HG12 ILE 41 1HG1 ILE 41 14.189 0.133 -0.685 286 HG13 ILE 41 2HG1 ILE 41 15.284 -0.017 -2.056 287 HG21 ILE 41 1HG2 ILE 41 12.092 -0.973 -0.895 288 HG22 ILE 41 2HG2 ILE 41 11.910 -2.453 -1.834 289 HG23 ILE 41 3HG2 ILE 41 12.742 -2.492 -0.279 290 HD11 ILE 41 1HD1 ILE 41 13.060 1.599 -1.896 291 HD12 ILE 41 2HD1 ILE 41 13.944 1.173 -3.362 292 HD13 ILE 41 3HD1 ILE 41 12.523 0.243 -2.887 293 H LEU 42 H LEU 42 14.568 -4.173 0.578 294 HA LEU 42 HA LEU 42 14.680 -6.600 -0.849 295 HB2 LEU 42 1HB LEU 42 13.273 -6.069 1.762 296 HB3 LEU 42 2HB LEU 42 13.818 -7.632 1.157 297 HG LEU 42 HG LEU 42 15.737 -5.396 1.755 298 HD11 LEU 42 1HD1 LEU 42 14.332 -5.960 3.754 299 HD12 LEU 42 2HD1 LEU 42 16.061 -6.247 3.949 300 HD13 LEU 42 3HD1 LEU 42 14.971 -7.601 3.654 301 HD21 LEU 42 1HD2 LEU 42 17.257 -6.843 1.041 302 HD22 LEU 42 2HD2 LEU 42 15.970 -7.972 0.618 303 HD23 LEU 42 3HD2 LEU 42 16.709 -8.035 2.219 304 H GLU 43 H GLU 43 11.823 -5.083 0.665 305 HA GLU 43 HA GLU 43 10.215 -5.685 -1.663 306 HB2 GLU 43 1HB GLU 43 8.530 -6.967 -0.363 307 HB3 GLU 43 2HB GLU 43 10.067 -7.806 -0.524 308 HG2 GLU 43 1HG GLU 43 10.655 -6.930 1.760 309 HG3 GLU 43 2HG GLU 43 8.981 -6.396 1.896 310 H TYR 44 H TYR 44 8.035 -4.780 -1.503 311 HA TYR 44 HA TYR 44 8.049 -2.376 0.172 312 HB2 TYR 44 1HB TYR 44 6.678 -3.112 -2.396 313 HB3 TYR 44 2HB TYR 44 6.066 -1.788 -1.411 314 HD1 TYR 44 1HD TYR 44 8.880 -2.954 -3.468 315 HD2 TYR 44 2HD TYR 44 7.265 0.294 -1.244 316 HE1 TYR 44 1HE TYR 44 10.531 -1.443 -4.488 317 HE2 TYR 44 2HE TYR 44 8.910 1.815 -2.259 318 HH TYR 44 HH TYR 44 10.297 1.720 -4.612 319 H GLU 45 H GLU 45 6.691 -2.129 1.824 320 HA GLU 45 HA GLU 45 4.721 -4.227 2.324 321 HB2 GLU 45 1HB GLU 45 6.497 -3.248 4.015 322 HB3 GLU 45 2HB GLU 45 5.265 -2.017 4.259 323 HG2 GLU 45 1HG GLU 45 4.642 -3.469 5.878 324 HG3 GLU 45 2HG GLU 45 3.716 -4.142 4.538 325 H ILE 46 H ILE 46 2.569 -3.912 2.305 326 HA ILE 46 HA ILE 46 1.595 -1.163 1.877 327 HB ILE 46 HB ILE 46 0.408 -3.665 0.673 328 HG12 ILE 46 1HG1 ILE 46 1.679 -1.520 -0.967 329 HG13 ILE 46 2HG1 ILE 46 2.730 -2.673 -0.152 330 HG21 ILE 46 1HG2 ILE 46 -0.541 -0.956 0.989 331 HG22 ILE 46 2HG2 ILE 46 -0.462 -1.417 -0.710 332 HG23 ILE 46 3HG2 ILE 46 -1.397 -2.390 0.425 333 HD11 ILE 46 1HD1 ILE 46 2.284 -3.381 -2.415 334 HD12 ILE 46 2HD1 ILE 46 1.553 -4.508 -1.272 335 HD13 ILE 46 3HD1 ILE 46 0.548 -3.330 -2.115 336 H LYS 47 H LYS 47 0.628 -0.579 3.712 337 HA LYS 47 HA LYS 47 -0.964 -2.547 5.190 338 HB2 LYS 47 1HB LYS 47 0.577 -1.458 6.617 339 HB3 LYS 47 2HB LYS 47 0.215 0.122 5.934 340 HG2 LYS 47 1HG LYS 47 -2.079 -0.075 6.902 341 HG3 LYS 47 2HG LYS 47 -1.539 -1.540 7.725 342 HD2 LYS 47 1HD LYS 47 -0.078 -0.378 9.104 343 HD3 LYS 47 2HD LYS 47 0.005 1.009 8.015 344 HE2 LYS 47 1HE LYS 47 -2.263 1.635 8.593 345 HE3 LYS 47 2HE LYS 47 -2.428 0.201 9.606 346 HZ1 LYS 47 1HZ LYS 47 -0.175 1.489 10.516 347 HZ2 LYS 47 2HZ LYS 47 -1.687 1.438 11.272 348 HZ3 LYS 47 3HZ LYS 47 -1.298 2.726 10.247 349 H TYR 48 H TYR 48 -3.101 -2.551 5.023 350 HA TYR 48 HA TYR 48 -4.475 -0.047 4.321 351 HB2 TYR 48 1HB TYR 48 -6.075 -1.495 2.968 352 HB3 TYR 48 2HB TYR 48 -4.479 -1.237 2.273 353 HD1 TYR 48 2HD TYR 48 -6.587 -3.683 4.080 354 HD2 TYR 48 1HD TYR 48 -3.030 -3.058 1.830 355 HE1 TYR 48 2HE TYR 48 -6.280 -6.117 3.901 356 HE2 TYR 48 1HE TYR 48 -2.714 -5.490 1.644 357 HH TYR 48 HH TYR 48 -3.549 -7.496 2.094 358 H TYR 49 H TYR 49 -6.419 0.309 5.315 359 HA TYR 49 HA TYR 49 -7.697 -1.784 6.853 360 HB2 TYR 49 1HB TYR 49 -7.539 -0.689 8.990 361 HB3 TYR 49 2HB TYR 49 -5.909 -0.886 8.355 362 HD1 TYR 49 1HD TYR 49 -8.668 1.600 8.634 363 HD2 TYR 49 2HD TYR 49 -4.484 0.956 8.203 364 HE1 TYR 49 1HE TYR 49 -8.273 4.010 8.924 365 HE2 TYR 49 2HE TYR 49 -4.078 3.364 8.493 366 HH TYR 49 HH TYR 49 -6.765 5.648 8.876 367 H GLU 50 H GLU 50 -9.782 -1.150 7.688 368 HA GLU 50 HA GLU 50 -11.337 0.290 5.910 369 HB2 GLU 50 1HB GLU 50 -11.714 -0.724 8.675 370 HB3 GLU 50 2HB GLU 50 -12.861 0.482 8.109 371 HG2 GLU 50 1HG GLU 50 -13.765 -0.905 6.541 372 HG3 GLU 50 2HG GLU 50 -12.283 -1.841 6.352 373 H LYS 51 H LYS 51 -11.088 2.363 5.399 374 HA LYS 51 HA LYS 51 -9.837 4.344 6.833 375 HB2 LYS 51 1HB LYS 51 -10.334 4.723 4.536 376 HB3 LYS 51 2HB LYS 51 -12.060 4.513 4.803 377 HG2 LYS 51 1HG LYS 51 -11.897 6.792 4.617 378 HG3 LYS 51 2HG LYS 51 -11.789 6.579 6.366 379 HD2 LYS 51 1HD LYS 51 -9.409 6.820 6.315 380 HD3 LYS 51 2HD LYS 51 -9.391 6.786 4.550 381 HE2 LYS 51 1HE LYS 51 -9.130 9.061 5.355 382 HE3 LYS 51 2HE LYS 51 -10.667 8.882 4.510 383 HZ1 LYS 51 1HZ LYS 51 -10.166 9.216 7.391 384 HZ2 LYS 51 2HZ LYS 51 -11.579 8.447 6.870 385 HZ3 LYS 51 3HZ LYS 51 -11.258 10.038 6.394 386 H ASP 52 H ASP 52 -13.342 3.719 6.711 387 HA ASP 52 HA ASP 52 -13.958 5.682 8.686 388 HB2 ASP 52 1HB ASP 52 -16.216 4.682 8.656 389 HB3 ASP 52 2HB ASP 52 -15.619 5.011 7.031 390 H LYS 53 H LYS 53 -13.546 2.170 8.735 391 HA LYS 53 HA LYS 53 -13.844 2.188 11.655 392 HB2 LYS 53 1HB LYS 53 -13.647 -0.204 9.821 393 HB3 LYS 53 2HB LYS 53 -14.121 -0.203 11.515 394 HG2 LYS 53 1HG LYS 53 -15.684 1.291 9.438 395 HG3 LYS 53 2HG LYS 53 -15.963 -0.420 9.771 396 HD2 LYS 53 1HD LYS 53 -15.902 1.480 12.062 397 HD3 LYS 53 2HD LYS 53 -17.325 1.469 11.018 398 HE2 LYS 53 1HE LYS 53 -16.182 -1.033 12.235 399 HE3 LYS 53 2HE LYS 53 -17.390 -0.045 13.055 400 HZ1 LYS 53 1HZ LYS 53 -18.006 -0.785 10.316 401 HZ2 LYS 53 2HZ LYS 53 -19.012 -0.725 11.674 402 HZ3 LYS 53 3HZ LYS 53 -17.998 -2.057 11.431 403 H GLU 54 H GLU 54 -11.973 2.637 12.639 404 HA GLU 54 HA GLU 54 -9.485 1.533 11.554 405 HB2 GLU 54 1HB GLU 54 -10.168 3.851 13.285 406 HB3 GLU 54 2HB GLU 54 -8.618 3.071 13.563 407 HG2 GLU 54 1HG GLU 54 -7.970 4.608 12.037 408 HG3 GLU 54 2HG GLU 54 -8.440 3.315 10.934 409 H MET 55 H MET 55 -9.148 -0.482 12.272 410 HA MET 55 HA MET 55 -9.685 -1.088 15.093 411 HB2 MET 55 1HB MET 55 -9.289 -2.863 12.686 412 HB3 MET 55 2HB MET 55 -9.350 -3.483 14.330 413 HG2 MET 55 1HG MET 55 -11.498 -3.739 13.298 414 HG3 MET 55 2HG MET 55 -11.604 -2.533 14.579 415 HE1 MET 55 1HE MET 55 -11.955 -2.425 10.209 416 HE2 MET 55 2HE MET 55 -10.560 -1.372 10.453 417 HE3 MET 55 3HE MET 55 -10.548 -3.016 11.095 418 H GLN 56 H GLN 56 -8.107 -1.898 16.446 419 HA GLN 56 HA GLN 56 -5.538 -0.964 16.255 420 HB2 GLN 56 1HB GLN 56 -6.804 -2.098 18.231 421 HB3 GLN 56 2HB GLN 56 -6.065 -3.577 17.631 422 HG2 GLN 56 1HG GLN 56 -3.890 -2.782 18.046 423 HG3 GLN 56 2HG GLN 56 -4.458 -1.130 18.283 424 HE21 GLN 56 1HE2 GLN 56 -2.895 -2.945 20.017 425 HE22 GLN 56 2HE2 GLN 56 -3.763 -3.010 21.510 426 H SER 57 H SER 57 -6.782 -4.089 15.168 427 HA SER 57 HA SER 57 -4.170 -4.922 14.225 428 HB2 SER 57 1HB SER 57 -5.305 -6.985 13.542 429 HB3 SER 57 2HB SER 57 -5.714 -6.577 15.208 430 HG SER 57 HG SER 57 -7.618 -5.495 14.172 431 H TYR 58 H TYR 58 -3.392 -4.486 12.278 432 HA TYR 58 HA TYR 58 -5.278 -3.676 10.164 433 HB2 TYR 58 1HB TYR 58 -3.432 -2.346 9.214 434 HB3 TYR 58 2HB TYR 58 -3.826 -1.840 10.853 435 HD1 TYR 58 2HD TYR 58 -2.290 -2.324 12.706 436 HD2 TYR 58 1HD TYR 58 -1.304 -3.349 8.696 437 HE1 TYR 58 2HE TYR 58 0.062 -2.611 13.364 438 HE2 TYR 58 1HE TYR 58 1.051 -3.640 9.343 439 HH TYR 58 HH TYR 58 2.517 -2.529 11.501 440 H SER 59 H SER 59 -4.783 -4.293 7.995 441 HA SER 59 HA SER 59 -3.430 -6.883 7.870 442 HB2 SER 59 1HB SER 59 -5.219 -5.525 5.837 443 HB3 SER 59 2HB SER 59 -4.593 -7.170 5.726 444 HG SER 59 HG SER 59 -6.829 -6.670 6.684 445 H THR 60 H THR 60 -1.483 -7.101 7.003 446 HA THR 60 HA THR 60 -0.401 -4.879 5.407 447 HB THR 60 HB THR 60 1.166 -7.059 6.794 448 HG1 THR 60 1HG THR 60 0.114 -4.647 7.715 449 HG21 THR 60 1HG2 THR 60 1.949 -4.442 5.511 450 HG22 THR 60 2HG2 THR 60 2.422 -6.066 5.010 451 HG23 THR 60 3HG2 THR 60 3.025 -5.400 6.528 452 H LEU 61 H LEU 61 0.875 -5.342 3.548 453 HA LEU 61 HA LEU 61 0.637 -8.046 2.450 454 HB2 LEU 61 1HB LEU 61 -1.258 -6.863 1.551 455 HB3 LEU 61 2HB LEU 61 -0.231 -5.516 1.062 456 HG LEU 61 HG LEU 61 0.940 -7.304 -0.429 457 HD11 LEU 61 1HD1 LEU 61 -0.411 -9.154 0.661 458 HD12 LEU 61 2HD1 LEU 61 -0.355 -9.147 -1.101 459 HD13 LEU 61 3HD1 LEU 61 -1.788 -8.551 -0.262 460 HD21 LEU 61 1HD2 LEU 61 -0.992 -5.380 -0.850 461 HD22 LEU 61 2HD2 LEU 61 -1.666 -6.816 -1.621 462 HD23 LEU 61 3HD2 LEU 61 -0.073 -6.224 -2.096 463 H LYS 62 H LYS 62 2.463 -8.721 1.525 464 HA LYS 62 HA LYS 62 4.631 -6.790 1.175 465 HB2 LYS 62 1HB LYS 62 4.526 -9.781 1.447 466 HB3 LYS 62 2HB LYS 62 5.965 -8.984 0.826 467 HG2 LYS 62 1HG LYS 62 6.286 -9.346 3.149 468 HG3 LYS 62 2HG LYS 62 6.015 -7.617 2.915 469 HD2 LYS 62 1HD LYS 62 3.925 -7.678 3.887 470 HD3 LYS 62 2HD LYS 62 3.693 -9.390 3.528 471 HE2 LYS 62 1HE LYS 62 5.625 -8.283 5.563 472 HE3 LYS 62 2HE LYS 62 4.037 -8.953 5.932 473 HZ1 LYS 62 1HZ LYS 62 6.485 -10.326 5.096 474 HZ2 LYS 62 2HZ LYS 62 5.002 -10.986 4.621 475 HZ3 LYS 62 3HZ LYS 62 5.344 -10.771 6.263 476 H ALA 63 H ALA 63 5.453 -6.243 -0.758 477 HA ALA 63 HA ALA 63 4.660 -7.807 -3.117 478 HB1 ALA 63 1HB ALA 63 4.367 -4.847 -2.714 479 HB2 ALA 63 2HB ALA 63 4.464 -5.564 -4.323 480 HB3 ALA 63 3HB ALA 63 3.154 -6.017 -3.233 481 H VAL 64 H VAL 64 6.297 -8.268 -4.445 482 HA VAL 64 HA VAL 64 8.935 -7.244 -3.829 483 HB VAL 64 HB VAL 64 9.719 -8.839 -5.550 484 HG11 VAL 64 1HG1 VAL 64 9.790 -9.889 -3.532 485 HG12 VAL 64 2HG1 VAL 64 8.069 -9.650 -3.222 486 HG13 VAL 64 3HG1 VAL 64 8.599 -10.916 -4.330 487 HG21 VAL 64 1HG2 VAL 64 7.838 -8.782 -7.064 488 HG22 VAL 64 2HG2 VAL 64 8.095 -10.437 -6.511 489 HG23 VAL 64 3HG2 VAL 64 6.784 -9.474 -5.831 490 H THR 65 H THR 65 6.566 -7.014 -6.417 491 HA THR 65 HA THR 65 8.364 -5.371 -8.024 492 HB THR 65 HB THR 65 7.118 -6.969 -9.296 493 HG1 THR 65 1HG THR 65 5.841 -4.446 -9.654 494 HG21 THR 65 1HG2 THR 65 4.636 -6.937 -9.345 495 HG22 THR 65 2HG2 THR 65 4.655 -5.782 -8.013 496 HG23 THR 65 3HG2 THR 65 5.289 -7.410 -7.777 497 H THR 66 H THR 66 7.315 -3.390 -9.063 498 HA THR 66 HA THR 66 6.445 -1.652 -6.934 499 HB THR 66 HB THR 66 6.533 0.136 -8.649 500 HG1 THR 66 1HG THR 66 7.292 -2.011 -10.368 501 HG21 THR 66 1HG2 THR 66 9.018 -0.186 -9.204 502 HG22 THR 66 2HG2 THR 66 8.889 -1.697 -8.303 503 HG23 THR 66 3HG2 THR 66 8.558 -0.161 -7.502 504 H ARG 67 H ARG 67 4.707 -3.842 -8.255 505 HA ARG 67 HA ARG 67 2.310 -2.165 -8.429 506 HB2 ARG 67 1HB ARG 67 2.853 -4.427 -10.355 507 HB3 ARG 67 2HB ARG 67 1.486 -3.320 -10.371 508 HG2 ARG 67 1HG ARG 67 2.802 -1.528 -11.111 509 HG3 ARG 67 2HG ARG 67 4.306 -2.356 -10.702 510 HD2 ARG 67 1HD ARG 67 3.591 -4.102 -12.436 511 HD3 ARG 67 2HD ARG 67 2.422 -2.897 -12.974 512 HE ARG 67 HE ARG 67 4.688 -1.491 -13.023 513 HH11 ARG 67 2HH1 ARG 67 3.943 -4.675 -14.215 514 HH12 ARG 67 1HH1 ARG 67 5.090 -4.601 -15.512 515 HH21 ARG 67 2HH2 ARG 67 6.202 -1.380 -14.727 516 HH22 ARG 67 1HH2 ARG 67 6.375 -2.726 -15.801 517 H ALA 68 H ALA 68 0.901 -2.848 -6.970 518 HA ALA 68 HA ALA 68 0.690 -5.736 -6.446 519 HB1 ALA 68 1HB ALA 68 0.250 -5.143 -4.038 520 HB2 ALA 68 2HB ALA 68 1.910 -4.912 -4.588 521 HB3 ALA 68 3HB ALA 68 0.838 -3.522 -4.412 522 H THR 69 H THR 69 -1.376 -6.438 -5.662 523 HA THR 69 HA THR 69 -3.570 -4.526 -6.093 524 HB THR 69 HB THR 69 -3.478 -7.360 -7.145 525 HG1 THR 69 1HG THR 69 -3.822 -4.997 -8.667 526 HG21 THR 69 1HG2 THR 69 -5.682 -5.367 -6.862 527 HG22 THR 69 2HG2 THR 69 -5.712 -7.116 -6.637 528 HG23 THR 69 3HG2 THR 69 -5.669 -6.437 -8.263 529 H VAL 70 H VAL 70 -4.295 -4.299 -4.052 530 HA VAL 70 HA VAL 70 -4.344 -6.409 -2.140 531 HB VAL 70 HB VAL 70 -5.813 -3.769 -2.088 532 HG11 VAL 70 1HG1 VAL 70 -6.480 -5.763 -0.533 533 HG12 VAL 70 2HG1 VAL 70 -5.019 -5.304 0.343 534 HG13 VAL 70 3HG1 VAL 70 -6.321 -4.135 0.125 535 HG21 VAL 70 1HG2 VAL 70 -3.023 -4.439 -1.779 536 HG22 VAL 70 2HG2 VAL 70 -3.796 -2.855 -1.847 537 HG23 VAL 70 3HG2 VAL 70 -3.668 -3.709 -0.309 538 H SER 71 H SER 71 -5.721 -8.047 -2.095 539 HA SER 71 HA SER 71 -8.458 -7.615 -3.102 540 HB2 SER 71 1HB SER 71 -6.729 -10.089 -3.311 541 HB3 SER 71 2HB SER 71 -8.447 -10.051 -3.708 542 HG SER 71 HG SER 71 -6.878 -9.717 -5.486 543 H GLY 72 H GLY 72 -10.152 -8.727 -2.033 544 HA2 GLY 72 1HA GLY 72 -11.069 -10.044 -0.301 545 HA3 GLY 72 2HA GLY 72 -9.494 -10.074 0.479 546 H LEU 73 H LEU 73 -11.254 -7.237 -0.681 547 HA LEU 73 HA LEU 73 -11.247 -6.220 2.078 548 HB2 LEU 73 1HB LEU 73 -11.556 -4.647 -0.471 549 HB3 LEU 73 2HB LEU 73 -11.310 -4.007 1.152 550 HG LEU 73 HG LEU 73 -9.263 -5.675 -0.297 551 HD11 LEU 73 1HD1 LEU 73 -10.014 -2.897 -0.675 552 HD12 LEU 73 2HD1 LEU 73 -8.936 -3.920 -1.626 553 HD13 LEU 73 3HD1 LEU 73 -8.326 -3.083 -0.198 554 HD21 LEU 73 1HD2 LEU 73 -9.408 -4.247 2.299 555 HD22 LEU 73 2HD2 LEU 73 -7.876 -4.204 1.425 556 HD23 LEU 73 3HD2 LEU 73 -8.592 -5.753 1.875 557 H LYS 74 H LYS 74 -13.075 -4.435 2.294 558 HA LYS 74 HA LYS 74 -15.581 -5.837 1.721 559 HB2 LYS 74 1HB LYS 74 -14.669 -3.928 3.812 560 HB3 LYS 74 2HB LYS 74 -16.368 -3.877 3.360 561 HG2 LYS 74 1HG LYS 74 -16.585 -6.250 3.889 562 HG3 LYS 74 2HG LYS 74 -14.878 -6.306 4.336 563 HD2 LYS 74 1HD LYS 74 -16.069 -6.090 6.364 564 HD3 LYS 74 2HD LYS 74 -15.403 -4.491 6.026 565 HE2 LYS 74 1HE LYS 74 -17.561 -3.949 6.588 566 HE3 LYS 74 2HE LYS 74 -17.709 -4.119 4.840 567 HZ1 LYS 74 1HZ LYS 74 -19.436 -5.411 5.480 568 HZ2 LYS 74 2HZ LYS 74 -18.746 -5.826 6.967 569 HZ3 LYS 74 3HZ LYS 74 -18.230 -6.595 5.552 570 HA PRO 75 HA PRO 75 -16.623 -2.911 -1.423 571 HB2 PRO 75 1HB PRO 75 -19.268 -3.495 -1.597 572 HB3 PRO 75 2HB PRO 75 -18.007 -4.544 -2.257 573 HG2 PRO 75 1HG PRO 75 -19.506 -4.776 0.325 574 HG3 PRO 75 2HG PRO 75 -19.082 -6.043 -0.841 575 HD2 PRO 75 1HD PRO 75 -17.686 -5.640 1.444 576 HD3 PRO 75 2HD PRO 75 -16.926 -6.227 -0.049 577 H GLY 76 H GLY 76 -17.732 -0.943 -1.689 578 HA2 GLY 76 1HA GLY 76 -18.510 1.087 -0.944 579 HA3 GLY 76 2HA GLY 76 -19.720 0.129 -0.104 580 H THR 77 H THR 77 -16.210 0.388 0.389 581 HA THR 77 HA THR 77 -16.617 1.769 2.913 582 HB THR 77 HB THR 77 -15.287 -0.946 2.822 583 HG1 THR 77 1HG THR 77 -17.614 -0.972 2.854 584 HG21 THR 77 1HG2 THR 77 -14.083 -0.011 4.501 585 HG22 THR 77 2HG2 THR 77 -15.533 -0.365 5.440 586 HG23 THR 77 3HG2 THR 77 -15.274 1.255 4.794 587 H ARG 78 H ARG 78 -15.207 3.382 2.818 588 HA ARG 78 HA ARG 78 -13.006 3.530 1.111 589 HB2 ARG 78 1HB ARG 78 -13.975 5.080 3.453 590 HB3 ARG 78 2HB ARG 78 -12.297 5.314 2.982 591 HG2 ARG 78 1HG ARG 78 -13.217 5.707 0.622 592 HG3 ARG 78 2HG ARG 78 -14.782 5.891 1.417 593 HD2 ARG 78 1HD ARG 78 -13.584 7.574 2.940 594 HD3 ARG 78 2HD ARG 78 -12.308 7.561 1.724 595 HE ARG 78 HE ARG 78 -14.912 8.040 0.623 596 HH11 ARG 78 2HH1 ARG 78 -12.157 9.511 2.162 597 HH12 ARG 78 1HH1 ARG 78 -12.466 11.084 1.504 598 HH21 ARG 78 2HH2 ARG 78 -15.329 10.106 -0.249 599 HH22 ARG 78 1HH2 ARG 78 -14.271 11.422 0.134 600 H TYR 79 H TYR 79 -10.794 3.297 1.417 601 HA TYR 79 HA TYR 79 -9.926 1.997 3.903 602 HB2 TYR 79 1HB TYR 79 -9.761 0.940 1.128 603 HB3 TYR 79 2HB TYR 79 -8.375 0.668 2.177 604 HD1 TYR 79 2HD TYR 79 -8.687 -0.594 4.316 605 HD2 TYR 79 1HD TYR 79 -11.764 -0.304 1.391 606 HE1 TYR 79 2HE TYR 79 -9.833 -2.515 5.339 607 HE2 TYR 79 1HE TYR 79 -12.919 -2.223 2.407 608 HH TYR 79 HH TYR 79 -11.472 -4.046 5.056 609 H VAL 80 H VAL 80 -7.785 2.359 4.495 610 HA VAL 80 HA VAL 80 -6.481 4.566 3.049 611 HB VAL 80 HB VAL 80 -6.121 3.711 5.925 612 HG11 VAL 80 1HG1 VAL 80 -4.820 5.804 4.232 613 HG12 VAL 80 2HG1 VAL 80 -5.003 6.054 5.970 614 HG13 VAL 80 3HG1 VAL 80 -4.090 4.670 5.368 615 HG21 VAL 80 1HG2 VAL 80 -8.317 4.731 5.447 616 HG22 VAL 80 2HG2 VAL 80 -7.321 5.731 6.505 617 HG23 VAL 80 3HG2 VAL 80 -7.493 6.151 4.801 618 H PHE 81 H PHE 81 -4.976 3.802 1.705 619 HA PHE 81 HA PHE 81 -3.414 1.452 2.439 620 HB2 PHE 81 1HB PHE 81 -3.647 3.038 -0.119 621 HB3 PHE 81 2HB PHE 81 -2.496 1.724 0.091 622 HD1 PHE 81 1HD PHE 81 -3.343 -0.584 0.524 623 HD2 PHE 81 2HD PHE 81 -5.911 2.618 -0.602 624 HE1 PHE 81 1HE PHE 81 -5.074 -2.206 -0.129 625 HE2 PHE 81 2HE PHE 81 -7.646 1.001 -1.255 626 HZ PHE 81 HZ PHE 81 -7.229 -1.414 -1.019 627 H GLN 82 H GLN 82 -1.113 1.438 2.382 628 HA GLN 82 HA GLN 82 0.309 3.953 2.284 629 HB2 GLN 82 1HB GLN 82 -0.198 2.482 4.837 630 HB3 GLN 82 2HB GLN 82 1.340 3.305 4.616 631 HG2 GLN 82 1HG GLN 82 0.197 5.410 4.263 632 HG3 GLN 82 2HG GLN 82 -1.365 4.603 4.393 633 HE21 GLN 82 1HE2 GLN 82 0.122 6.729 5.982 634 HE22 GLN 82 2HE2 GLN 82 -0.031 6.201 7.620 635 H VAL 83 H VAL 83 1.963 3.452 1.015 636 HA VAL 83 HA VAL 83 3.170 0.786 1.210 637 HB VAL 83 HB VAL 83 3.563 2.895 -0.918 638 HG11 VAL 83 1HG1 VAL 83 4.762 1.283 -2.152 639 HG12 VAL 83 2HG1 VAL 83 5.418 1.210 -0.515 640 HG13 VAL 83 3HG1 VAL 83 4.281 -0.021 -1.066 641 HG21 VAL 83 1HG2 VAL 83 1.900 1.965 -2.158 642 HG22 VAL 83 2HG2 VAL 83 2.129 0.359 -1.466 643 HG23 VAL 83 3HG2 VAL 83 1.266 1.597 -0.553 644 H ARG 84 H ARG 84 5.380 0.491 1.497 645 HA ARG 84 HA ARG 84 7.110 2.775 1.903 646 HB2 ARG 84 1HB ARG 84 7.764 2.035 4.198 647 HB3 ARG 84 2HB ARG 84 6.126 2.667 4.090 648 HG2 ARG 84 1HG ARG 84 5.712 0.827 5.342 649 HG3 ARG 84 2HG ARG 84 5.564 0.099 3.742 650 HD2 ARG 84 1HD ARG 84 7.603 -0.968 3.892 651 HD3 ARG 84 2HD ARG 84 8.232 0.179 5.075 652 HE ARG 84 HE ARG 84 6.298 -1.011 6.475 653 HH11 ARG 84 2HH1 ARG 84 8.799 -2.335 4.446 654 HH12 ARG 84 1HH1 ARG 84 8.923 -3.813 5.342 655 HH21 ARG 84 2HH2 ARG 84 6.452 -2.953 7.661 656 HH22 ARG 84 1HH2 ARG 84 7.587 -4.164 7.169 657 H ALA 85 H ALA 85 9.346 2.196 2.087 658 HA ALA 85 HA ALA 85 9.898 -0.471 0.977 659 HB1 ALA 85 1HB ALA 85 10.694 1.092 -0.550 660 HB2 ALA 85 2HB ALA 85 11.294 2.167 0.713 661 HB3 ALA 85 3HB ALA 85 12.134 0.654 0.370 662 H ARG 86 H ARG 86 11.329 -1.841 1.936 663 HA ARG 86 HA ARG 86 12.480 -0.960 4.502 664 HB2 ARG 86 1HB ARG 86 10.772 -2.553 4.979 665 HB3 ARG 86 2HB ARG 86 11.323 -3.626 3.699 666 HG2 ARG 86 1HG ARG 86 13.139 -4.372 4.926 667 HG3 ARG 86 2HG ARG 86 13.122 -2.965 5.992 668 HD2 ARG 86 1HD ARG 86 11.451 -3.807 7.303 669 HD3 ARG 86 2HD ARG 86 10.737 -4.735 5.984 670 HE ARG 86 HE ARG 86 11.963 -6.516 6.686 671 HH11 ARG 86 2HH1 ARG 86 13.551 -3.608 7.754 672 HH12 ARG 86 1HH1 ARG 86 14.795 -4.450 8.619 673 HH21 ARG 86 2HH2 ARG 86 13.595 -7.635 7.820 674 HH22 ARG 86 1HH2 ARG 86 14.820 -6.740 8.654 675 H THR 87 H THR 87 14.611 -0.786 4.408 676 HA THR 87 HA THR 87 16.099 -2.540 2.570 677 HB THR 87 HB THR 87 17.940 -0.848 2.782 678 HG1 THR 87 1HG THR 87 16.434 0.074 4.724 679 HG21 THR 87 1HG2 THR 87 15.368 0.361 1.774 680 HG22 THR 87 2HG2 THR 87 16.254 -0.895 0.911 681 HG23 THR 87 3HG2 THR 87 17.006 0.673 1.201 682 H SER 88 H SER 88 17.695 -3.839 3.312 683 HA SER 88 HA SER 88 17.785 -4.958 5.728 684 HB2 SER 88 1HB SER 88 20.002 -5.699 5.304 685 HB3 SER 88 2HB SER 88 19.270 -5.472 3.715 686 HG SER 88 HG SER 88 21.458 -4.327 4.703 687 H ALA 89 H ALA 89 19.443 -1.940 4.908 688 HA ALA 89 HA ALA 89 20.845 -1.497 7.249 689 HB1 ALA 89 1HB ALA 89 21.378 0.385 6.203 690 HB2 ALA 89 2HB ALA 89 20.196 -0.016 4.956 691 HB3 ALA 89 3HB ALA 89 19.721 0.977 6.335 692 H GLY 90 H GLY 90 17.620 -0.149 6.491 693 HA2 GLY 90 1HA GLY 90 16.754 -0.623 9.219 694 HA3 GLY 90 2HA GLY 90 16.938 1.070 8.786 695 H CYS 91 H CYS 91 14.693 1.382 9.139 696 HA CYS 91 HA CYS 91 13.052 0.452 6.883 697 HB2 CYS 91 1HB CYS 91 12.429 0.360 9.813 698 HB3 CYS 91 2HB CYS 91 11.122 0.575 8.655 699 HG CYS 91 HG CYS 91 12.177 -2.190 9.708 700 H GLY 92 H GLY 92 11.623 1.929 6.030 701 HA2 GLY 92 1HA GLY 92 11.978 4.688 6.995 702 HA3 GLY 92 2HA GLY 92 11.532 4.236 5.357 703 H ARG 93 H ARG 93 10.203 6.123 7.097 704 HA ARG 93 HA ARG 93 7.933 5.153 8.357 705 HB2 ARG 93 1HB ARG 93 8.406 7.737 6.875 706 HB3 ARG 93 2HB ARG 93 6.931 7.411 7.775 707 HG2 ARG 93 1HG ARG 93 7.987 7.514 9.813 708 HG3 ARG 93 2HG ARG 93 9.565 7.110 9.134 709 HD2 ARG 93 1HD ARG 93 8.223 9.661 8.352 710 HD3 ARG 93 2HD ARG 93 9.048 9.550 9.907 711 HE ARG 93 HE ARG 93 10.933 8.654 8.247 712 HH11 ARG 93 2HH1 ARG 93 8.843 11.431 8.050 713 HH12 ARG 93 1HH1 ARG 93 9.980 12.387 7.157 714 HH21 ARG 93 2HH2 ARG 93 12.438 9.902 7.071 715 HH22 ARG 93 1HH2 ARG 93 12.024 11.515 6.600 716 H PHE 94 H PHE 94 5.630 5.782 7.458 717 HA PHE 94 HA PHE 94 5.304 4.211 5.024 718 HB2 PHE 94 1HB PHE 94 3.566 4.949 7.320 719 HB3 PHE 94 2HB PHE 94 2.775 4.687 5.769 720 HD1 PHE 94 1HD PHE 94 3.153 2.483 4.587 721 HD2 PHE 94 2HD PHE 94 4.224 3.150 8.652 722 HE1 PHE 94 1HE PHE 94 3.207 0.053 4.968 723 HE2 PHE 94 2HE PHE 94 4.280 0.721 9.039 724 HZ PHE 94 HZ PHE 94 3.773 -0.831 7.196 725 H SER 95 H SER 95 4.421 4.962 3.149 726 HA SER 95 HA SER 95 4.783 7.590 2.392 727 HB2 SER 95 1HB SER 95 3.294 7.054 0.454 728 HB3 SER 95 2HB SER 95 4.544 5.843 0.736 729 HG SER 95 HG SER 95 1.792 5.701 1.388 730 H GLN 96 H GLN 96 3.018 9.077 1.549 731 HA GLN 96 HA GLN 96 1.533 10.102 3.637 732 HB2 GLN 96 1HB GLN 96 1.454 10.428 0.677 733 HB3 GLN 96 2HB GLN 96 0.108 11.070 1.609 734 HG2 GLN 96 1HG GLN 96 1.610 12.451 2.900 735 HG3 GLN 96 2HG GLN 96 3.001 11.756 2.069 736 HE21 GLN 96 1HE2 GLN 96 0.666 14.189 2.058 737 HE22 GLN 96 2HE2 GLN 96 1.009 14.857 0.503 738 H ALA 97 H ALA 97 -0.610 9.994 4.275 739 HA ALA 97 HA ALA 97 -1.872 7.511 4.178 740 HB1 ALA 97 1HB ALA 97 -2.252 9.891 5.543 741 HB2 ALA 97 2HB ALA 97 -3.747 9.672 4.632 742 HB3 ALA 97 3HB ALA 97 -3.191 8.409 5.730 743 H MET 98 H MET 98 -2.482 6.598 2.308 744 HA MET 98 HA MET 98 -3.686 8.184 0.199 745 HB2 MET 98 1HB MET 98 -2.140 6.516 -0.527 746 HB3 MET 98 2HB MET 98 -2.944 5.268 0.415 747 HG2 MET 98 1HG MET 98 -3.770 4.763 -1.630 748 HG3 MET 98 2HG MET 98 -4.987 5.932 -1.122 749 HE1 MET 98 1HE MET 98 -3.188 4.970 -4.279 750 HE2 MET 98 2HE MET 98 -4.900 5.157 -3.900 751 HE3 MET 98 3HE MET 98 -4.131 6.237 -5.064 752 H GLU 99 H GLU 99 -5.782 7.973 -0.565 753 HA GLU 99 HA GLU 99 -7.626 6.464 1.169 754 HB2 GLU 99 1HB GLU 99 -7.831 9.246 0.068 755 HB3 GLU 99 2HB GLU 99 -9.290 8.329 0.415 756 HG2 GLU 99 1HG GLU 99 -8.379 7.994 2.743 757 HG3 GLU 99 2HG GLU 99 -7.148 9.188 2.335 758 H VAL 100 H VAL 100 -8.818 4.991 0.162 759 HA VAL 100 HA VAL 100 -9.527 5.373 -2.653 760 HB VAL 100 HB VAL 100 -8.172 2.903 -1.567 761 HG11 VAL 100 1HG1 VAL 100 -10.087 3.193 -3.703 762 HG12 VAL 100 2HG1 VAL 100 -8.533 2.625 -4.317 763 HG13 VAL 100 3HG1 VAL 100 -9.358 1.732 -3.039 764 HG21 VAL 100 1HG2 VAL 100 -7.335 4.483 -3.968 765 HG22 VAL 100 2HG2 VAL 100 -6.849 4.984 -2.349 766 HG23 VAL 100 3HG2 VAL 100 -6.379 3.397 -2.959 767 H GLU 101 H GLU 101 -11.560 4.768 -3.108 768 HA GLU 101 HA GLU 101 -13.057 3.370 -0.997 769 HB2 GLU 101 1HB GLU 101 -13.675 5.751 -1.892 770 HB3 GLU 101 2HB GLU 101 -14.367 4.862 -3.241 771 HG2 GLU 101 1HG GLU 101 -15.547 3.501 -1.345 772 HG3 GLU 101 2HG GLU 101 -15.212 4.943 -0.389 773 H THR 102 H THR 102 -14.038 1.474 -1.393 774 HA THR 102 HA THR 102 -13.461 0.134 -3.885 775 HB THR 102 HB THR 102 -14.759 -1.773 -2.753 776 HG1 THR 102 1HG THR 102 -14.904 -1.484 -0.445 777 HG21 THR 102 1HG2 THR 102 -12.112 -0.729 -2.301 778 HG22 THR 102 2HG2 THR 102 -12.646 -2.405 -2.421 779 HG23 THR 102 3HG2 THR 102 -12.696 -1.572 -0.867 780 H GLY 103 H GLY 103 -15.330 -1.322 -4.756 781 HA2 GLY 103 1HA GLY 103 -17.446 0.505 -5.548 782 HA3 GLY 103 2HA GLY 103 -17.124 -1.081 -6.233 783 H LYS 104 H LYS 104 -19.470 0.504 -4.823 784 HA LYS 104 HA LYS 104 -20.259 -1.030 -2.604 785 HB2 LYS 104 1HB LYS 104 -21.851 0.612 -4.575 786 HB3 LYS 104 2HB LYS 104 -22.568 -0.146 -3.159 787 HG2 LYS 104 1HG LYS 104 -20.771 1.129 -1.830 788 HG3 LYS 104 2HG LYS 104 -20.594 2.097 -3.295 789 HD2 LYS 104 1HD LYS 104 -23.178 2.317 -3.152 790 HD3 LYS 104 2HD LYS 104 -22.952 1.835 -1.469 791 HE2 LYS 104 1HE LYS 104 -21.570 3.717 -1.030 792 HE3 LYS 104 2HE LYS 104 -21.448 4.110 -2.744 793 HZ1 LYS 104 1HZ LYS 104 -23.128 5.329 -1.123 794 HZ2 LYS 104 2HZ LYS 104 -24.125 4.046 -1.593 795 HZ3 LYS 104 3HZ LYS 104 -23.473 5.082 -2.761 796 HA PRO 105 HA PRO 105 -21.754 -4.795 -4.296 797 HB2 PRO 105 1HB PRO 105 -23.811 -5.344 -2.612 798 HB3 PRO 105 2HB PRO 105 -22.115 -5.483 -2.134 799 HG2 PRO 105 1HG PRO 105 -24.055 -3.263 -1.613 800 HG3 PRO 105 2HG PRO 105 -22.873 -3.997 -0.513 801 HD2 PRO 105 1HD PRO 105 -22.426 -1.640 -1.768 802 HD3 PRO 105 2HD PRO 105 -21.120 -2.778 -1.381 803 H SER 106 H SER 106 -23.417 -1.949 -4.587 804 HA SER 106 HA SER 106 -25.992 -2.294 -5.181 805 HB2 SER 106 1HB SER 106 -24.002 -0.931 -7.011 806 HB3 SER 106 2HB SER 106 -25.748 -0.695 -7.058 807 HG SER 106 HG SER 106 -25.555 0.655 -5.472 808 H GLY 107 H GLY 107 -23.383 -3.213 -7.429 809 HA2 GLY 107 1HA GLY 107 -24.483 -5.605 -8.273 810 HA3 GLY 107 2HA GLY 107 -25.146 -4.376 -9.340 811 HA PRO 108 HA PRO 108 -20.671 -5.744 -10.441 812 HB2 PRO 108 1HB PRO 108 -21.181 -7.758 -12.188 813 HB3 PRO 108 2HB PRO 108 -20.919 -8.028 -10.461 814 HG2 PRO 108 1HG PRO 108 -23.491 -7.866 -11.984 815 HG3 PRO 108 2HG PRO 108 -23.015 -9.004 -10.711 816 HD2 PRO 108 1HD PRO 108 -24.607 -6.867 -10.233 817 HD3 PRO 108 2HD PRO 108 -23.475 -7.504 -9.023 818 H SER 109 H SER 109 -19.675 -5.171 -12.391 819 HA SER 109 HA SER 109 -19.447 -3.916 -14.280 820 HB2 SER 109 1HB SER 109 -20.704 -4.648 -16.197 821 HB3 SER 109 2HB SER 109 -20.378 -6.065 -15.199 822 HG SER 109 HG SER 109 -22.781 -4.581 -15.010 823 H SER 110 H SER 110 -20.803 -2.631 -12.166 824 HA SER 110 HA SER 110 -23.078 -1.234 -13.275 825 HB2 SER 110 1HB SER 110 -23.143 -0.054 -11.139 826 HB3 SER 110 2HB SER 110 -22.964 -1.786 -10.862 827 HG SER 110 HG SER 110 -20.910 -1.494 -10.239 828 H GLY 111 H GLY 111 -19.718 -0.475 -12.422 829 HA2 GLY 111 1HA GLY 111 -18.897 1.088 -14.381 830 HA3 GLY 111 2HA GLY 111 -20.005 2.194 -13.582 Start of MODEL 10 1 H1 GLY 1 H GLY 1 24.318 -9.604 24.531 2 HA2 GLY 1 1HA GLY 1 22.602 -7.973 23.493 3 HA3 GLY 1 2HA GLY 1 23.654 -6.756 24.201 4 H SER 2 H SER 2 23.444 -6.321 21.701 5 HA SER 2 HA SER 2 25.879 -7.439 20.491 6 HB2 SER 2 1HB SER 2 23.178 -7.100 19.184 7 HB3 SER 2 2HB SER 2 24.668 -7.293 18.259 8 HG SER 2 HG SER 2 24.929 -9.317 19.113 9 H SER 3 H SER 3 27.158 -6.010 19.410 10 HA SER 3 HA SER 3 26.235 -3.211 19.345 11 HB2 SER 3 1HB SER 3 29.028 -4.275 19.829 12 HB3 SER 3 2HB SER 3 28.619 -2.568 19.655 13 HG SER 3 HG SER 3 27.000 -3.287 21.457 14 H GLY 4 H GLY 4 27.339 -1.852 17.698 15 HA2 GLY 4 1HA GLY 4 28.804 -2.819 15.549 16 HA3 GLY 4 2HA GLY 4 27.113 -3.054 15.134 17 H SER 5 H SER 5 29.360 -0.560 16.305 18 HA SER 5 HA SER 5 27.925 1.712 15.975 19 HB2 SER 5 1HB SER 5 30.070 2.840 15.330 20 HB3 SER 5 2HB SER 5 30.209 1.805 16.751 21 HG SER 5 HG SER 5 31.417 1.593 14.306 22 H SER 6 H SER 6 29.819 0.184 13.367 23 HA SER 6 HA SER 6 28.926 1.907 11.329 24 HB2 SER 6 1HB SER 6 30.930 0.558 11.044 25 HB3 SER 6 2HB SER 6 29.984 -0.926 11.160 26 HG SER 6 HG SER 6 28.832 0.396 9.270 27 H GLY 7 H GLY 7 27.331 1.696 9.769 28 HA2 GLY 7 1HA GLY 7 25.593 -0.572 9.638 29 HA3 GLY 7 2HA GLY 7 24.852 0.762 10.508 30 H GLN 8 H GLN 8 23.243 0.900 8.877 31 HA GLN 8 HA GLN 8 24.157 2.401 6.530 32 HB2 GLN 8 1HB GLN 8 22.508 -0.091 6.561 33 HB3 GLN 8 2HB GLN 8 22.181 1.128 5.336 34 HG2 GLN 8 1HG GLN 8 24.894 -0.079 5.807 35 HG3 GLN 8 2HG GLN 8 23.732 -0.696 4.634 36 HE21 GLN 8 1HE2 GLN 8 23.893 0.055 2.650 37 HE22 GLN 8 2HE2 GLN 8 24.667 1.524 2.177 38 H ALA 9 H ALA 9 22.866 4.080 5.938 39 HA ALA 9 HA ALA 9 20.990 5.061 7.824 40 HB1 ALA 9 1HB ALA 9 20.957 6.989 6.586 41 HB2 ALA 9 2HB ALA 9 22.500 6.305 6.073 42 HB3 ALA 9 3HB ALA 9 21.075 6.135 5.047 43 H ALA 10 H ALA 10 18.749 5.695 7.292 44 HA ALA 10 HA ALA 10 17.316 3.436 6.224 45 HB1 ALA 10 1HB ALA 10 16.274 6.051 7.308 46 HB2 ALA 10 2HB ALA 10 15.315 4.610 6.969 47 HB3 ALA 10 3HB ALA 10 16.535 4.577 8.242 48 HA PRO 11 HA PRO 11 16.638 4.906 2.136 49 HB2 PRO 11 1HB PRO 11 14.269 3.699 1.588 50 HB3 PRO 11 2HB PRO 11 15.799 2.817 1.674 51 HG2 PRO 11 1HG PRO 11 13.647 3.082 3.738 52 HG3 PRO 11 2HG PRO 11 14.566 1.643 3.257 53 HD2 PRO 11 1HD PRO 11 15.151 3.069 5.484 54 HD3 PRO 11 2HD PRO 11 16.393 2.229 4.533 55 H SER 12 H SER 12 15.019 6.052 0.776 56 HA SER 12 HA SER 12 13.952 8.283 2.184 57 HB2 SER 12 1HB SER 12 14.831 8.033 -0.305 58 HB3 SER 12 2HB SER 12 13.129 7.704 -0.630 59 HG SER 12 HG SER 12 14.371 10.059 0.071 60 H GLN 13 H GLN 13 11.613 9.017 1.438 61 HA GLN 13 HA GLN 13 9.808 6.810 2.167 62 HB2 GLN 13 1HB GLN 13 9.865 8.610 3.813 63 HB3 GLN 13 2HB GLN 13 9.482 9.789 2.565 64 HG2 GLN 13 1HG GLN 13 7.333 8.526 2.199 65 HG3 GLN 13 2HG GLN 13 7.715 7.624 3.665 66 HE21 GLN 13 1HE2 GLN 13 5.581 9.620 2.898 67 HE22 GLN 13 2HE2 GLN 13 5.605 10.778 4.180 68 H VAL 14 H VAL 14 8.599 6.055 0.572 69 HA VAL 14 HA VAL 14 8.392 7.240 -1.966 70 HB VAL 14 HB VAL 14 6.730 5.089 -0.659 71 HG11 VAL 14 1HG1 VAL 14 5.232 5.669 -2.263 72 HG12 VAL 14 2HG1 VAL 14 6.454 6.417 -3.292 73 HG13 VAL 14 3HG1 VAL 14 6.287 4.661 -3.252 74 HG21 VAL 14 1HG2 VAL 14 9.306 5.154 -1.913 75 HG22 VAL 14 2HG2 VAL 14 8.482 3.805 -1.132 76 HG23 VAL 14 3HG2 VAL 14 8.214 4.129 -2.845 77 H VAL 15 H VAL 15 7.361 9.061 -2.437 78 HA VAL 15 HA VAL 15 4.855 9.679 -1.018 79 HB VAL 15 HB VAL 15 5.234 12.027 -1.625 80 HG11 VAL 15 1HG1 VAL 15 7.293 12.382 -0.210 81 HG12 VAL 15 2HG1 VAL 15 6.025 11.396 0.520 82 HG13 VAL 15 3HG1 VAL 15 7.460 10.628 -0.159 83 HG21 VAL 15 1HG2 VAL 15 7.537 10.845 -3.090 84 HG22 VAL 15 2HG2 VAL 15 6.447 12.149 -3.562 85 HG23 VAL 15 3HG2 VAL 15 7.726 12.450 -2.385 86 H VAL 16 H VAL 16 5.484 8.078 -3.578 87 HA VAL 16 HA VAL 16 3.570 9.502 -5.312 88 HB VAL 16 HB VAL 16 5.793 7.651 -6.187 89 HG11 VAL 16 1HG1 VAL 16 4.582 7.372 -8.031 90 HG12 VAL 16 2HG1 VAL 16 3.379 8.544 -7.488 91 HG13 VAL 16 3HG1 VAL 16 4.810 9.088 -8.365 92 HG21 VAL 16 1HG2 VAL 16 6.862 9.596 -7.110 93 HG22 VAL 16 2HG2 VAL 16 5.512 10.622 -6.626 94 HG23 VAL 16 3HG2 VAL 16 6.544 9.886 -5.400 95 H ILE 17 H ILE 17 1.668 8.525 -4.963 96 HA ILE 17 HA ILE 17 1.511 5.646 -5.471 97 HB ILE 17 HB ILE 17 0.333 7.023 -3.059 98 HG12 ILE 17 1HG1 ILE 17 2.171 4.635 -3.338 99 HG13 ILE 17 2HG1 ILE 17 2.661 6.249 -2.836 100 HG21 ILE 17 1HG2 ILE 17 -0.783 4.916 -4.593 101 HG22 ILE 17 2HG2 ILE 17 -0.221 4.240 -3.066 102 HG23 ILE 17 3HG2 ILE 17 -1.357 5.588 -3.068 103 HD11 ILE 17 1HD1 ILE 17 2.040 5.883 -0.736 104 HD12 ILE 17 2HD1 ILE 17 0.494 5.190 -1.224 105 HD13 ILE 17 3HD1 ILE 17 1.939 4.181 -1.184 106 H ARG 18 H ARG 18 -0.164 5.090 -6.731 107 HA ARG 18 HA ARG 18 -2.455 6.896 -6.960 108 HB2 ARG 18 1HB ARG 18 -1.167 5.798 -9.444 109 HB3 ARG 18 2HB ARG 18 -2.337 7.103 -9.298 110 HG2 ARG 18 1HG ARG 18 -0.753 8.643 -8.681 111 HG3 ARG 18 2HG ARG 18 0.342 7.417 -8.038 112 HD2 ARG 18 1HD ARG 18 1.448 7.915 -9.965 113 HD3 ARG 18 2HD ARG 18 0.377 6.656 -10.576 114 HE ARG 18 HE ARG 18 -0.732 9.297 -10.773 115 HH11 ARG 18 2HH1 ARG 18 1.312 6.935 -12.310 116 HH12 ARG 18 1HH1 ARG 18 1.082 7.579 -13.902 117 HH21 ARG 18 2HH2 ARG 18 -1.043 10.154 -12.864 118 HH22 ARG 18 1HH2 ARG 18 -0.258 9.411 -14.215 119 H GLN 19 H GLN 19 -4.354 5.910 -7.784 120 HA GLN 19 HA GLN 19 -4.350 2.996 -7.461 121 HB2 GLN 19 1HB GLN 19 -5.908 4.013 -5.997 122 HB3 GLN 19 2HB GLN 19 -6.515 5.079 -7.257 123 HG2 GLN 19 1HG GLN 19 -6.799 2.160 -7.673 124 HG3 GLN 19 2HG GLN 19 -7.830 2.926 -6.465 125 HE21 GLN 19 1HE2 GLN 19 -8.988 4.902 -7.224 126 HE22 GLN 19 2HE2 GLN 19 -9.625 4.881 -8.830 127 H GLU 20 H GLU 20 -4.390 1.772 -9.215 128 HA GLU 20 HA GLU 20 -4.904 2.880 -11.809 129 HB2 GLU 20 1HB GLU 20 -4.036 0.248 -10.732 130 HB3 GLU 20 2HB GLU 20 -4.773 0.260 -12.328 131 HG2 GLU 20 1HG GLU 20 -2.617 2.220 -11.770 132 HG3 GLU 20 2HG GLU 20 -2.174 0.528 -11.989 133 H ARG 21 H ARG 21 -6.470 0.310 -9.895 134 HA ARG 21 HA ARG 21 -9.056 1.107 -10.951 135 HB2 ARG 21 1HB ARG 21 -8.244 -1.782 -11.187 136 HB3 ARG 21 2HB ARG 21 -9.639 -0.978 -11.894 137 HG2 ARG 21 1HG ARG 21 -8.090 0.321 -13.337 138 HG3 ARG 21 2HG ARG 21 -6.759 -0.645 -12.696 139 HD2 ARG 21 1HD ARG 21 -9.147 -1.997 -13.877 140 HD3 ARG 21 2HD ARG 21 -7.910 -1.322 -14.937 141 HE ARG 21 HE ARG 21 -6.584 -2.862 -13.061 142 HH11 ARG 21 2HH1 ARG 21 -8.962 -3.341 -15.559 143 HH12 ARG 21 1HH1 ARG 21 -8.476 -4.971 -15.891 144 HH21 ARG 21 2HH2 ARG 21 -5.935 -5.007 -13.489 145 HH22 ARG 21 1HH2 ARG 21 -6.754 -5.917 -14.712 146 H ALA 22 H ALA 22 -10.691 0.752 -9.538 147 HA ALA 22 HA ALA 22 -9.987 -0.611 -7.025 148 HB1 ALA 22 1HB ALA 22 -10.662 1.272 -6.060 149 HB2 ALA 22 2HB ALA 22 -11.269 1.906 -7.589 150 HB3 ALA 22 3HB ALA 22 -12.300 0.885 -6.587 151 H GLY 23 H GLY 23 -10.671 -2.676 -7.240 152 HA2 GLY 23 1HA GLY 23 -13.131 -3.331 -8.593 153 HA3 GLY 23 2HA GLY 23 -12.056 -4.455 -7.776 154 H GLN 24 H GLN 24 -14.313 -5.271 -7.203 155 HA GLN 24 HA GLN 24 -15.850 -3.845 -5.288 156 HB2 GLN 24 1HB GLN 24 -16.432 -5.912 -6.840 157 HB3 GLN 24 2HB GLN 24 -15.939 -6.824 -5.419 158 HG2 GLN 24 1HG GLN 24 -17.580 -5.224 -4.176 159 HG3 GLN 24 2HG GLN 24 -18.262 -4.996 -5.786 160 HE21 GLN 24 1HE2 GLN 24 -19.924 -6.252 -6.170 161 HE22 GLN 24 2HE2 GLN 24 -20.159 -7.854 -5.569 162 H THR 25 H THR 25 -13.746 -6.704 -4.941 163 HA THR 25 HA THR 25 -13.369 -5.955 -2.114 164 HB THR 25 HB THR 25 -12.949 -8.332 -1.633 165 HG1 THR 25 1HG THR 25 -12.712 -9.708 -3.221 166 HG21 THR 25 1HG2 THR 25 -15.448 -8.954 -2.697 167 HG22 THR 25 2HG2 THR 25 -15.479 -7.205 -2.473 168 HG23 THR 25 3HG2 THR 25 -15.119 -8.262 -1.109 169 H SER 26 H SER 26 -11.854 -5.418 -4.757 170 HA SER 26 HA SER 26 -9.213 -5.881 -3.607 171 HB2 SER 26 1HB SER 26 -8.304 -6.769 -5.695 172 HB3 SER 26 2HB SER 26 -9.613 -7.800 -5.116 173 HG SER 26 HG SER 26 -10.816 -6.107 -6.624 174 H VAL 27 H VAL 27 -7.611 -4.444 -4.349 175 HA VAL 27 HA VAL 27 -8.443 -2.336 -6.197 176 HB VAL 27 HB VAL 27 -7.473 -1.821 -3.385 177 HG11 VAL 27 1HG1 VAL 27 -7.499 -0.101 -5.812 178 HG12 VAL 27 2HG1 VAL 27 -7.891 0.633 -4.256 179 HG13 VAL 27 3HG1 VAL 27 -6.337 -0.170 -4.488 180 HG21 VAL 27 1HG2 VAL 27 -9.971 -2.277 -4.015 181 HG22 VAL 27 2HG2 VAL 27 -9.557 -0.961 -2.918 182 HG23 VAL 27 3HG2 VAL 27 -9.913 -0.618 -4.611 183 H SER 28 H SER 28 -6.756 -1.302 -7.253 184 HA SER 28 HA SER 28 -4.150 -2.627 -6.974 185 HB2 SER 28 1HB SER 28 -4.998 -2.861 -9.192 186 HB3 SER 28 2HB SER 28 -5.438 -1.156 -9.276 187 HG SER 28 HG SER 28 -3.153 -0.706 -9.112 188 H LEU 29 H LEU 29 -2.209 -1.355 -7.160 189 HA LEU 29 HA LEU 29 -2.528 1.494 -6.531 190 HB2 LEU 29 1HB LEU 29 -1.005 -0.564 -4.971 191 HB3 LEU 29 2HB LEU 29 -0.554 1.139 -4.919 192 HG LEU 29 HG LEU 29 -3.286 0.113 -4.165 193 HD11 LEU 29 1HD1 LEU 29 -2.651 0.108 -1.907 194 HD12 LEU 29 2HD1 LEU 29 -1.124 0.923 -2.245 195 HD13 LEU 29 3HD1 LEU 29 -1.359 -0.752 -2.745 196 HD21 LEU 29 1HD2 LEU 29 -2.442 2.655 -4.776 197 HD22 LEU 29 2HD2 LEU 29 -2.301 2.606 -3.018 198 HD23 LEU 29 3HD2 LEU 29 -3.845 2.243 -3.791 199 H LEU 30 H LEU 30 -0.689 2.799 -7.017 200 HA LEU 30 HA LEU 30 1.390 1.525 -8.644 201 HB2 LEU 30 1HB LEU 30 -0.552 3.610 -9.487 202 HB3 LEU 30 2HB LEU 30 1.103 3.731 -10.082 203 HG LEU 30 HG LEU 30 -0.988 1.687 -10.689 204 HD11 LEU 30 1HD1 LEU 30 0.417 2.092 -12.940 205 HD12 LEU 30 2HD1 LEU 30 0.694 3.634 -12.131 206 HD13 LEU 30 3HD1 LEU 30 -0.953 3.091 -12.454 207 HD21 LEU 30 1HD2 LEU 30 0.687 0.203 -10.048 208 HD22 LEU 30 2HD2 LEU 30 1.978 1.254 -10.630 209 HD23 LEU 30 3HD2 LEU 30 0.952 0.396 -11.781 210 H TRP 31 H TRP 31 3.314 2.096 -7.903 211 HA TRP 31 HA TRP 31 3.785 4.847 -7.054 212 HB2 TRP 31 1HB TRP 31 4.716 4.269 -4.935 213 HB3 TRP 31 2HB TRP 31 3.144 3.479 -5.028 214 HD1 TRP 31 HD TRP 31 6.901 2.674 -5.148 215 HE1 TRP 31 1HE TRP 31 7.212 0.174 -4.621 216 HE3 TRP 31 3HE TRP 31 1.993 1.245 -5.060 217 HZ2 TRP 31 2HZ TRP 31 5.592 -2.102 -4.222 218 HZ3 TRP 31 3HZ TRP 31 1.459 -1.112 -4.599 219 HH2 TRP 31 HH TRP 31 3.223 -2.750 -4.190 220 H GLN 32 H GLN 32 5.849 5.556 -7.415 221 HA GLN 32 HA GLN 32 7.542 3.773 -8.982 222 HB2 GLN 32 1HB GLN 32 8.656 5.715 -9.764 223 HB3 GLN 32 2HB GLN 32 6.943 6.112 -9.739 224 HG2 GLN 32 1HG GLN 32 7.163 7.590 -8.012 225 HG3 GLN 32 2HG GLN 32 8.588 6.783 -7.358 226 HE21 GLN 32 1HE2 GLN 32 9.303 9.066 -7.243 227 HE22 GLN 32 2HE2 GLN 32 10.095 9.734 -8.626 228 H GLU 33 H GLU 33 9.999 4.214 -8.654 229 HA GLU 33 HA GLU 33 10.674 3.260 -6.076 230 HB2 GLU 33 1HB GLU 33 12.176 4.058 -8.518 231 HB3 GLU 33 2HB GLU 33 13.070 3.976 -7.007 232 HG2 GLU 33 1HG GLU 33 12.863 1.714 -6.839 233 HG3 GLU 33 2HG GLU 33 11.343 1.675 -7.730 234 HA PRO 34 HA PRO 34 11.187 6.959 -3.760 235 HB2 PRO 34 1HB PRO 34 13.074 6.147 -1.986 236 HB3 PRO 34 2HB PRO 34 11.392 5.608 -1.913 237 HG2 PRO 34 1HG PRO 34 13.783 4.205 -3.043 238 HG3 PRO 34 2HG PRO 34 12.470 3.552 -2.045 239 HD2 PRO 34 1HD PRO 34 12.560 3.222 -4.731 240 HD3 PRO 34 2HD PRO 34 11.033 3.362 -3.836 241 H GLU 35 H GLU 35 12.408 8.784 -3.786 242 HA GLU 35 HA GLU 35 14.226 9.401 -5.648 243 HB2 GLU 35 1HB GLU 35 14.335 10.383 -2.791 244 HB3 GLU 35 2HB GLU 35 15.097 11.169 -4.166 245 HG2 GLU 35 1HG GLU 35 12.767 11.315 -5.172 246 HG3 GLU 35 2HG GLU 35 12.174 10.884 -3.569 247 H GLN 36 H GLN 36 15.325 8.613 -2.346 248 HA GLN 36 HA GLN 36 17.677 7.306 -3.538 249 HB2 GLN 36 1HB GLN 36 17.588 9.240 -1.227 250 HB3 GLN 36 2HB GLN 36 18.953 8.170 -1.514 251 HG2 GLN 36 1HG GLN 36 19.249 9.179 -3.736 252 HG3 GLN 36 2HG GLN 36 17.921 10.285 -3.389 253 HE21 GLN 36 1HE2 GLN 36 20.668 10.917 -4.005 254 HE22 GLN 36 2HE2 GLN 36 21.289 11.799 -2.656 255 HA PRO 37 HA PRO 37 15.837 4.114 -0.921 256 HB2 PRO 37 1HB PRO 37 17.172 2.071 -2.109 257 HB3 PRO 37 2HB PRO 37 15.711 2.790 -2.795 258 HG2 PRO 37 1HG PRO 37 18.577 3.289 -3.500 259 HG3 PRO 37 2HG PRO 37 17.180 3.086 -4.573 260 HD2 PRO 37 1HD PRO 37 18.204 5.516 -3.958 261 HD3 PRO 37 2HD PRO 37 16.476 5.260 -4.275 262 H ASN 38 H ASN 38 19.160 4.945 -1.514 263 HA ASN 38 HA ASN 38 21.065 4.716 -0.293 264 HB2 ASN 38 1HB ASN 38 18.931 4.631 1.817 265 HB3 ASN 38 2HB ASN 38 20.620 4.398 2.259 266 HD21 ASN 38 1HD2 ASN 38 19.193 6.491 3.267 267 HD22 ASN 38 2HD2 ASN 38 19.776 7.974 2.598 268 H GLY 39 H GLY 39 20.211 2.408 -1.621 269 HA2 GLY 39 1HA GLY 39 21.794 0.420 -1.089 270 HA3 GLY 39 2HA GLY 39 20.714 0.228 0.284 271 H ILE 40 H ILE 40 19.979 -1.794 -0.335 272 HA ILE 40 HA ILE 40 18.437 -1.888 -2.843 273 HB ILE 40 HB ILE 40 19.755 -4.098 -1.274 274 HG12 ILE 40 1HG1 ILE 40 21.082 -2.705 -2.928 275 HG13 ILE 40 2HG1 ILE 40 21.076 -4.439 -3.226 276 HG21 ILE 40 1HG2 ILE 40 18.734 -5.287 -3.516 277 HG22 ILE 40 2HG2 ILE 40 18.036 -5.385 -1.900 278 HG23 ILE 40 3HG2 ILE 40 17.437 -4.188 -3.048 279 HD11 ILE 40 1HD1 ILE 40 20.550 -3.899 -5.317 280 HD12 ILE 40 2HD1 ILE 40 18.934 -3.566 -4.694 281 HD13 ILE 40 3HD1 ILE 40 20.099 -2.253 -4.871 282 H ILE 41 H ILE 41 16.331 -2.597 -2.831 283 HA ILE 41 HA ILE 41 15.078 -2.777 -0.176 284 HB ILE 41 HB ILE 41 13.838 -2.044 -2.831 285 HG12 ILE 41 1HG1 ILE 41 14.021 -0.229 -0.455 286 HG13 ILE 41 2HG1 ILE 41 15.423 -0.421 -1.503 287 HG21 ILE 41 1HG2 ILE 41 12.633 -2.177 -0.070 288 HG22 ILE 41 2HG2 ILE 41 11.842 -1.490 -1.488 289 HG23 ILE 41 3HG2 ILE 41 12.237 -3.208 -1.445 290 HD11 ILE 41 1HD1 ILE 41 13.350 1.356 -1.845 291 HD12 ILE 41 2HD1 ILE 41 14.551 0.901 -3.055 292 HD13 ILE 41 3HD1 ILE 41 12.995 0.073 -3.002 293 H LEU 42 H LEU 42 14.459 -4.725 0.459 294 HA LEU 42 HA LEU 42 14.468 -6.991 -1.236 295 HB2 LEU 42 1HB LEU 42 13.080 -6.796 1.424 296 HB3 LEU 42 2HB LEU 42 13.753 -8.232 0.654 297 HG LEU 42 HG LEU 42 15.447 -5.932 1.609 298 HD11 LEU 42 1HD1 LEU 42 15.250 -8.480 3.127 299 HD12 LEU 42 2HD1 LEU 42 13.988 -7.269 3.348 300 HD13 LEU 42 3HD1 LEU 42 15.670 -6.859 3.682 301 HD21 LEU 42 1HD2 LEU 42 16.609 -8.581 1.563 302 HD22 LEU 42 2HD2 LEU 42 17.176 -7.087 0.815 303 HD23 LEU 42 3HD2 LEU 42 16.006 -8.106 -0.025 304 H GLU 43 H GLU 43 11.803 -5.182 0.283 305 HA GLU 43 HA GLU 43 10.089 -5.659 -1.961 306 HB2 GLU 43 1HB GLU 43 8.328 -6.853 -0.663 307 HB3 GLU 43 2HB GLU 43 9.782 -7.807 -0.924 308 HG2 GLU 43 1HG GLU 43 10.508 -7.039 1.389 309 HG3 GLU 43 2HG GLU 43 8.847 -6.487 1.600 310 H TYR 44 H TYR 44 8.084 -4.502 -1.819 311 HA TYR 44 HA TYR 44 8.274 -2.226 0.007 312 HB2 TYR 44 1HB TYR 44 6.840 -2.701 -2.590 313 HB3 TYR 44 2HB TYR 44 6.377 -1.366 -1.541 314 HD1 TYR 44 2HD TYR 44 7.969 0.471 -1.098 315 HD2 TYR 44 1HD TYR 44 8.867 -2.634 -3.865 316 HE1 TYR 44 2HE TYR 44 9.764 1.852 -2.056 317 HE2 TYR 44 1HE TYR 44 10.665 -1.262 -4.830 318 HH TYR 44 HH TYR 44 11.025 1.546 -4.858 319 H GLU 45 H GLU 45 7.220 -2.425 1.866 320 HA GLU 45 HA GLU 45 4.993 -4.207 2.186 321 HB2 GLU 45 1HB GLU 45 6.591 -2.430 3.955 322 HB3 GLU 45 2HB GLU 45 4.972 -2.857 4.491 323 HG2 GLU 45 1HG GLU 45 6.128 -4.554 5.443 324 HG3 GLU 45 2HG GLU 45 5.797 -5.289 3.876 325 H ILE 46 H ILE 46 2.877 -3.760 2.116 326 HA ILE 46 HA ILE 46 2.083 -0.935 1.829 327 HB ILE 46 HB ILE 46 0.844 -3.385 0.573 328 HG12 ILE 46 1HG1 ILE 46 1.799 -0.989 -0.936 329 HG13 ILE 46 2HG1 ILE 46 2.992 -2.138 -0.341 330 HG21 ILE 46 1HG2 ILE 46 -0.650 -1.679 -0.546 331 HG22 ILE 46 2HG2 ILE 46 -0.965 -1.986 1.161 332 HG23 ILE 46 3HG2 ILE 46 -0.097 -0.531 0.672 333 HD11 ILE 46 1HD1 ILE 46 2.378 -3.740 -1.809 334 HD12 ILE 46 2HD1 ILE 46 0.684 -3.251 -1.808 335 HD13 ILE 46 3HD1 ILE 46 1.866 -2.332 -2.739 336 H LYS 47 H LYS 47 0.786 -0.160 3.349 337 HA LYS 47 HA LYS 47 -0.546 -2.045 5.159 338 HB2 LYS 47 1HB LYS 47 0.876 -0.507 6.316 339 HB3 LYS 47 2HB LYS 47 0.196 0.866 5.451 340 HG2 LYS 47 1HG LYS 47 -1.748 0.857 6.695 341 HG3 LYS 47 2HG LYS 47 -1.559 -0.833 7.169 342 HD2 LYS 47 1HD LYS 47 -0.104 -0.337 8.861 343 HD3 LYS 47 2HD LYS 47 0.520 1.100 8.049 344 HE2 LYS 47 1HE LYS 47 -1.544 2.294 8.562 345 HE3 LYS 47 2HE LYS 47 -2.196 0.853 9.341 346 HZ1 LYS 47 1HZ LYS 47 0.329 1.494 10.437 347 HZ2 LYS 47 2HZ LYS 47 -1.171 1.396 11.212 348 HZ3 LYS 47 3HZ LYS 47 -0.678 2.852 10.506 349 H TYR 48 H TYR 48 -2.632 -2.417 4.854 350 HA TYR 48 HA TYR 48 -4.320 -0.231 3.833 351 HB2 TYR 48 1HB TYR 48 -5.612 -1.855 2.540 352 HB3 TYR 48 2HB TYR 48 -3.922 -1.877 2.048 353 HD1 TYR 48 1HD TYR 48 -2.439 -3.738 2.901 354 HD2 TYR 48 2HD TYR 48 -6.672 -3.808 3.325 355 HE1 TYR 48 1HE TYR 48 -2.354 -6.165 3.287 356 HE2 TYR 48 2HE TYR 48 -6.599 -6.235 3.713 357 HH TYR 48 HH TYR 48 -4.755 -7.900 4.621 358 H TYR 49 H TYR 49 -5.896 0.283 5.187 359 HA TYR 49 HA TYR 49 -7.105 -1.812 6.847 360 HB2 TYR 49 1HB TYR 49 -7.071 -0.361 8.813 361 HB3 TYR 49 2HB TYR 49 -5.434 -0.655 8.236 362 HD1 TYR 49 1HD TYR 49 -8.172 1.843 8.276 363 HD2 TYR 49 2HD TYR 49 -4.030 1.136 7.610 364 HE1 TYR 49 1HE TYR 49 -7.780 4.269 8.179 365 HE2 TYR 49 2HE TYR 49 -3.625 3.560 7.513 366 HH TYR 49 HH TYR 49 -6.279 5.884 7.946 367 H GLU 50 H GLU 50 -9.218 -1.236 7.695 368 HA GLU 50 HA GLU 50 -10.815 0.079 5.737 369 HB2 GLU 50 1HB GLU 50 -11.289 -1.379 8.272 370 HB3 GLU 50 2HB GLU 50 -12.528 -0.227 7.796 371 HG2 GLU 50 1HG GLU 50 -13.133 -1.423 5.946 372 HG3 GLU 50 2HG GLU 50 -11.544 -2.166 5.772 373 H LYS 51 H LYS 51 -10.646 2.226 5.528 374 HA LYS 51 HA LYS 51 -9.819 4.180 7.125 375 HB2 LYS 51 1HB LYS 51 -10.569 4.937 5.070 376 HB3 LYS 51 2HB LYS 51 -12.117 4.114 5.213 377 HG2 LYS 51 1HG LYS 51 -12.554 6.427 5.384 378 HG3 LYS 51 2HG LYS 51 -12.712 5.763 7.012 379 HD2 LYS 51 1HD LYS 51 -10.367 6.492 7.457 380 HD3 LYS 51 2HD LYS 51 -10.369 7.292 5.883 381 HE2 LYS 51 1HE LYS 51 -12.244 8.687 6.591 382 HE3 LYS 51 2HE LYS 51 -12.267 7.875 8.156 383 HZ1 LYS 51 1HZ LYS 51 -10.288 9.770 7.082 384 HZ2 LYS 51 2HZ LYS 51 -9.822 8.653 8.263 385 HZ3 LYS 51 3HZ LYS 51 -11.054 9.764 8.591 386 H ASP 52 H ASP 52 -13.042 2.727 7.361 387 HA ASP 52 HA ASP 52 -13.854 4.382 9.552 388 HB2 ASP 52 1HB ASP 52 -15.523 3.434 8.055 389 HB3 ASP 52 2HB ASP 52 -15.011 1.802 8.476 390 H LYS 53 H LYS 53 -12.650 1.068 9.225 391 HA LYS 53 HA LYS 53 -12.643 0.733 12.121 392 HB2 LYS 53 1HB LYS 53 -11.542 -1.309 10.234 393 HB3 LYS 53 2HB LYS 53 -12.385 -1.541 11.760 394 HG2 LYS 53 1HG LYS 53 -13.805 -0.419 9.377 395 HG3 LYS 53 2HG LYS 53 -13.588 -2.159 9.577 396 HD2 LYS 53 1HD LYS 53 -14.658 -0.599 11.874 397 HD3 LYS 53 2HD LYS 53 -15.728 -0.909 10.504 398 HE2 LYS 53 1HE LYS 53 -15.142 -3.336 10.716 399 HE3 LYS 53 2HE LYS 53 -14.292 -2.938 12.209 400 HZ1 LYS 53 1HZ LYS 53 -17.187 -2.790 11.646 401 HZ2 LYS 53 2HZ LYS 53 -16.501 -1.914 12.919 402 HZ3 LYS 53 3HZ LYS 53 -16.394 -3.602 12.900 403 H GLU 54 H GLU 54 -10.793 2.527 10.454 404 HA GLU 54 HA GLU 54 -8.218 1.723 10.277 405 HB2 GLU 54 1HB GLU 54 -8.925 3.999 9.761 406 HB3 GLU 54 2HB GLU 54 -9.185 4.328 11.468 407 HG2 GLU 54 1HG GLU 54 -6.869 4.231 11.935 408 HG3 GLU 54 2HG GLU 54 -6.508 3.564 10.344 409 H MET 55 H MET 55 -9.843 2.716 13.273 410 HA MET 55 HA MET 55 -7.545 2.238 14.909 411 HB2 MET 55 1HB MET 55 -8.859 2.909 16.714 412 HB3 MET 55 2HB MET 55 -9.551 3.803 15.368 413 HG2 MET 55 1HG MET 55 -10.639 1.283 16.597 414 HG3 MET 55 2HG MET 55 -11.301 2.908 16.756 415 HE1 MET 55 1HE MET 55 -12.891 3.943 13.904 416 HE2 MET 55 2HE MET 55 -11.323 4.306 14.626 417 HE3 MET 55 3HE MET 55 -11.411 3.662 12.986 418 H GLN 56 H GLN 56 -10.154 0.317 13.709 419 HA GLN 56 HA GLN 56 -10.285 -1.709 15.613 420 HB2 GLN 56 1HB GLN 56 -11.825 -1.432 13.669 421 HB3 GLN 56 2HB GLN 56 -10.552 -2.045 12.622 422 HG2 GLN 56 1HG GLN 56 -12.027 -3.840 13.055 423 HG3 GLN 56 2HG GLN 56 -10.558 -4.140 13.983 424 HE21 GLN 56 1HE2 GLN 56 -13.050 -5.324 14.509 425 HE22 GLN 56 2HE2 GLN 56 -13.588 -4.783 16.059 426 H SER 57 H SER 57 -8.546 -1.958 12.508 427 HA SER 57 HA SER 57 -6.156 -2.931 13.719 428 HB2 SER 57 1HB SER 57 -7.877 -4.893 13.786 429 HB3 SER 57 2HB SER 57 -7.541 -5.015 12.059 430 HG SER 57 HG SER 57 -5.829 -5.444 14.244 431 H TYR 58 H TYR 58 -4.512 -3.498 12.120 432 HA TYR 58 HA TYR 58 -5.113 -2.421 9.445 433 HB2 TYR 58 1HB TYR 58 -3.106 -1.201 9.393 434 HB3 TYR 58 2HB TYR 58 -3.741 -0.910 11.009 435 HD1 TYR 58 1HD TYR 58 -1.138 -2.614 9.062 436 HD2 TYR 58 2HD TYR 58 -2.621 -1.787 12.963 437 HE1 TYR 58 1HE TYR 58 0.980 -3.408 10.029 438 HE2 TYR 58 2HE TYR 58 -0.507 -2.577 13.940 439 HH TYR 58 HH TYR 58 2.243 -2.847 12.404 440 H SER 59 H SER 59 -4.346 -3.540 7.730 441 HA SER 59 HA SER 59 -2.950 -6.055 8.323 442 HB2 SER 59 1HB SER 59 -4.660 -5.218 5.974 443 HB3 SER 59 2HB SER 59 -3.758 -6.732 6.030 444 HG SER 59 HG SER 59 -5.971 -5.917 7.559 445 H THR 60 H THR 60 -1.216 -6.751 6.999 446 HA THR 60 HA THR 60 0.137 -4.574 5.542 447 HB THR 60 HB THR 60 1.617 -6.787 6.948 448 HG1 THR 60 1HG THR 60 1.949 -4.840 8.490 449 HG21 THR 60 1HG2 THR 60 2.621 -4.015 6.456 450 HG22 THR 60 2HG2 THR 60 2.586 -5.174 5.128 451 HG23 THR 60 3HG2 THR 60 3.518 -5.528 6.582 452 H LEU 61 H LEU 61 1.245 -5.102 3.660 453 HA LEU 61 HA LEU 61 1.030 -7.867 2.705 454 HB2 LEU 61 1HB LEU 61 -0.869 -6.713 1.769 455 HB3 LEU 61 2HB LEU 61 0.163 -5.401 1.205 456 HG LEU 61 HG LEU 61 1.300 -7.389 -0.144 457 HD11 LEU 61 1HD1 LEU 61 -1.327 -8.427 0.720 458 HD12 LEU 61 2HD1 LEU 61 0.154 -9.286 0.299 459 HD13 LEU 61 3HD1 LEU 61 -0.898 -8.667 -0.974 460 HD21 LEU 61 1HD2 LEU 61 -1.249 -5.975 -0.920 461 HD22 LEU 61 2HD2 LEU 61 -0.160 -6.793 -2.041 462 HD23 LEU 61 3HD2 LEU 61 0.397 -5.380 -1.143 463 H LYS 62 H LYS 62 2.567 -8.468 1.137 464 HA LYS 62 HA LYS 62 4.879 -6.650 0.990 465 HB2 LYS 62 1HB LYS 62 4.699 -9.660 0.973 466 HB3 LYS 62 2HB LYS 62 6.160 -8.800 0.505 467 HG2 LYS 62 1HG LYS 62 6.405 -9.447 2.774 468 HG3 LYS 62 2HG LYS 62 6.135 -7.703 2.751 469 HD2 LYS 62 1HD LYS 62 4.038 -7.879 3.668 470 HD3 LYS 62 2HD LYS 62 3.783 -9.508 3.040 471 HE2 LYS 62 1HE LYS 62 5.499 -10.315 4.666 472 HE3 LYS 62 2HE LYS 62 5.529 -8.694 5.358 473 HZ1 LYS 62 1HZ LYS 62 4.004 -9.696 6.699 474 HZ2 LYS 62 2HZ LYS 62 3.432 -10.735 5.493 475 HZ3 LYS 62 3HZ LYS 62 2.963 -9.110 5.501 476 H ALA 63 H ALA 63 5.642 -6.019 -0.943 477 HA ALA 63 HA ALA 63 4.620 -7.365 -3.353 478 HB1 ALA 63 1HB ALA 63 4.572 -5.049 -4.409 479 HB2 ALA 63 2HB ALA 63 3.294 -5.429 -3.254 480 HB3 ALA 63 3HB ALA 63 4.654 -4.420 -2.763 481 H VAL 64 H VAL 64 6.102 -7.781 -4.887 482 HA VAL 64 HA VAL 64 8.865 -7.035 -4.334 483 HB VAL 64 HB VAL 64 9.462 -8.663 -6.066 484 HG11 VAL 64 1HG1 VAL 64 7.452 -10.100 -4.406 485 HG12 VAL 64 2HG1 VAL 64 9.134 -10.508 -4.749 486 HG13 VAL 64 3HG1 VAL 64 8.753 -9.229 -3.595 487 HG21 VAL 64 1HG2 VAL 64 7.751 -8.554 -7.653 488 HG22 VAL 64 2HG2 VAL 64 7.534 -10.136 -6.904 489 HG23 VAL 64 3HG2 VAL 64 6.489 -8.792 -6.445 490 H THR 65 H THR 65 6.347 -6.501 -6.705 491 HA THR 65 HA THR 65 8.184 -4.932 -8.368 492 HB THR 65 HB THR 65 6.978 -6.343 -9.778 493 HG1 THR 65 1HG THR 65 5.058 -4.441 -10.125 494 HG21 THR 65 1HG2 THR 65 4.508 -6.629 -9.629 495 HG22 THR 65 2HG2 THR 65 4.527 -5.674 -8.146 496 HG23 THR 65 3HG2 THR 65 5.372 -7.220 -8.210 497 H THR 66 H THR 66 7.091 -2.929 -9.377 498 HA THR 66 HA THR 66 6.346 -1.197 -7.198 499 HB THR 66 HB THR 66 6.280 0.575 -8.987 500 HG1 THR 66 1HG THR 66 6.057 -1.408 -10.605 501 HG21 THR 66 1HG2 THR 66 8.889 -0.191 -9.582 502 HG22 THR 66 2HG2 THR 66 8.552 -0.938 -8.020 503 HG23 THR 66 3HG2 THR 66 8.366 0.803 -8.223 504 H ARG 67 H ARG 67 4.536 -3.371 -8.523 505 HA ARG 67 HA ARG 67 2.123 -1.726 -8.411 506 HB2 ARG 67 1HB ARG 67 2.462 -3.764 -10.602 507 HB3 ARG 67 2HB ARG 67 1.217 -2.533 -10.442 508 HG2 ARG 67 1HG ARG 67 2.848 -0.791 -10.882 509 HG3 ARG 67 2HG ARG 67 4.131 -1.999 -10.980 510 HD2 ARG 67 1HD ARG 67 3.373 -2.831 -12.998 511 HD3 ARG 67 2HD ARG 67 1.731 -2.244 -12.739 512 HE ARG 67 HE ARG 67 3.081 0.047 -12.950 513 HH11 ARG 67 2HH1 ARG 67 3.161 -2.844 -14.887 514 HH12 ARG 67 1HH1 ARG 67 3.567 -2.009 -16.350 515 HH21 ARG 67 2HH2 ARG 67 3.615 1.158 -14.869 516 HH22 ARG 67 1HH2 ARG 67 3.825 0.267 -16.339 517 H ALA 68 H ALA 68 0.839 -2.605 -6.943 518 HA ALA 68 HA ALA 68 0.633 -5.534 -6.805 519 HB1 ALA 68 1HB ALA 68 2.113 -4.556 -4.990 520 HB2 ALA 68 2HB ALA 68 0.648 -3.824 -4.334 521 HB3 ALA 68 3HB ALA 68 0.778 -5.578 -4.456 522 H THR 69 H THR 69 -1.353 -6.304 -5.815 523 HA THR 69 HA THR 69 -3.539 -4.332 -5.883 524 HB THR 69 HB THR 69 -3.592 -7.111 -7.073 525 HG1 THR 69 1HG THR 69 -3.931 -4.548 -8.277 526 HG21 THR 69 1HG2 THR 69 -5.909 -5.784 -7.809 527 HG22 THR 69 2HG2 THR 69 -5.723 -5.392 -6.099 528 HG23 THR 69 3HG2 THR 69 -5.781 -7.077 -6.617 529 H VAL 70 H VAL 70 -4.084 -4.179 -3.787 530 HA VAL 70 HA VAL 70 -3.874 -6.252 -1.889 531 HB VAL 70 HB VAL 70 -5.557 -3.745 -1.821 532 HG11 VAL 70 1HG1 VAL 70 -6.464 -4.486 0.064 533 HG12 VAL 70 2HG1 VAL 70 -5.569 -6.000 -0.083 534 HG13 VAL 70 3HG1 VAL 70 -4.857 -4.633 0.774 535 HG21 VAL 70 1HG2 VAL 70 -3.741 -2.624 -1.141 536 HG22 VAL 70 2HG2 VAL 70 -3.200 -3.943 -0.103 537 HG23 VAL 70 3HG2 VAL 70 -2.830 -3.970 -1.827 538 H SER 71 H SER 71 -5.078 -8.006 -1.652 539 HA SER 71 HA SER 71 -7.841 -7.968 -2.677 540 HB2 SER 71 1HB SER 71 -7.636 -10.190 -3.348 541 HB3 SER 71 2HB SER 71 -6.026 -9.556 -3.689 542 HG SER 71 HG SER 71 -6.447 -11.638 -2.335 543 H GLY 72 H GLY 72 -9.399 -9.313 -1.518 544 HA2 GLY 72 1HA GLY 72 -10.267 -10.337 0.395 545 HA3 GLY 72 2HA GLY 72 -8.727 -10.080 1.202 546 H LEU 73 H LEU 73 -10.877 -7.748 -0.391 547 HA LEU 73 HA LEU 73 -11.044 -6.310 2.174 548 HB2 LEU 73 1HB LEU 73 -11.335 -5.171 -0.600 549 HB3 LEU 73 2HB LEU 73 -11.304 -4.269 0.913 550 HG LEU 73 HG LEU 73 -8.953 -5.897 -0.009 551 HD11 LEU 73 1HD1 LEU 73 -8.752 -3.028 -0.433 552 HD12 LEU 73 2HD1 LEU 73 -9.974 -3.787 -1.452 553 HD13 LEU 73 3HD1 LEU 73 -8.309 -4.366 -1.494 554 HD21 LEU 73 1HD2 LEU 73 -8.382 -5.332 2.091 555 HD22 LEU 73 2HD2 LEU 73 -9.561 -4.022 2.173 556 HD23 LEU 73 3HD2 LEU 73 -8.011 -3.766 1.368 557 H LYS 74 H LYS 74 -13.046 -4.790 2.183 558 HA LYS 74 HA LYS 74 -15.370 -6.427 1.423 559 HB2 LYS 74 1HB LYS 74 -14.916 -4.489 3.682 560 HB3 LYS 74 2HB LYS 74 -16.533 -4.994 3.209 561 HG2 LYS 74 1HG LYS 74 -16.216 -7.158 3.930 562 HG3 LYS 74 2HG LYS 74 -14.458 -7.054 3.803 563 HD2 LYS 74 1HD LYS 74 -15.814 -5.256 5.740 564 HD3 LYS 74 2HD LYS 74 -15.715 -6.972 6.143 565 HE2 LYS 74 1HE LYS 74 -13.249 -5.639 5.170 566 HE3 LYS 74 2HE LYS 74 -13.804 -5.239 6.794 567 HZ1 LYS 74 1HZ LYS 74 -13.231 -7.243 7.566 568 HZ2 LYS 74 2HZ LYS 74 -12.259 -7.349 6.186 569 HZ3 LYS 74 3HZ LYS 74 -13.793 -8.064 6.197 570 HA PRO 75 HA PRO 75 -16.663 -3.301 -1.396 571 HB2 PRO 75 1HB PRO 75 -19.311 -3.891 -1.499 572 HB3 PRO 75 2HB PRO 75 -18.074 -4.888 -2.273 573 HG2 PRO 75 1HG PRO 75 -19.464 -5.289 0.348 574 HG3 PRO 75 2HG PRO 75 -19.083 -6.479 -0.911 575 HD2 PRO 75 1HD PRO 75 -17.597 -6.210 1.336 576 HD3 PRO 75 2HD PRO 75 -16.895 -6.697 -0.220 577 H GLY 76 H GLY 76 -18.030 -1.412 -1.560 578 HA2 GLY 76 1HA GLY 76 -18.718 0.590 -0.642 579 HA3 GLY 76 2HA GLY 76 -19.868 -0.438 0.199 580 H THR 77 H THR 77 -16.356 0.106 0.485 581 HA THR 77 HA THR 77 -16.686 1.224 3.133 582 HB THR 77 HB THR 77 -15.195 -1.385 2.783 583 HG1 THR 77 1HG THR 77 -17.311 -1.056 4.587 584 HG21 THR 77 1HG2 THR 77 -14.015 -0.079 4.379 585 HG22 THR 77 2HG2 THR 77 -15.011 -1.206 5.301 586 HG23 THR 77 3HG2 THR 77 -15.510 0.477 5.131 587 H ARG 78 H ARG 78 -15.300 2.854 3.243 588 HA ARG 78 HA ARG 78 -13.275 3.337 1.373 589 HB2 ARG 78 1HB ARG 78 -14.117 4.536 3.953 590 HB3 ARG 78 2HB ARG 78 -12.483 4.900 3.412 591 HG2 ARG 78 1HG ARG 78 -13.480 5.632 1.226 592 HG3 ARG 78 2HG ARG 78 -15.065 5.484 1.989 593 HD2 ARG 78 1HD ARG 78 -14.093 7.015 3.814 594 HD3 ARG 78 2HD ARG 78 -12.828 7.374 2.639 595 HE ARG 78 HE ARG 78 -15.469 8.401 2.649 596 HH11 ARG 78 2HH1 ARG 78 -12.946 7.311 0.513 597 HH12 ARG 78 1HH1 ARG 78 -13.462 8.299 -0.813 598 HH21 ARG 78 2HH2 ARG 78 -16.159 9.707 0.910 599 HH22 ARG 78 1HH2 ARG 78 -15.289 9.663 -0.586 600 H TYR 79 H TYR 79 -11.065 3.095 1.410 601 HA TYR 79 HA TYR 79 -9.905 1.614 3.666 602 HB2 TYR 79 1HB TYR 79 -9.983 0.822 0.792 603 HB3 TYR 79 2HB TYR 79 -8.526 0.460 1.710 604 HD1 TYR 79 2HD TYR 79 -8.641 -1.058 3.663 605 HD2 TYR 79 1HD TYR 79 -12.009 -0.395 1.149 606 HE1 TYR 79 2HE TYR 79 -9.713 -3.074 4.578 607 HE2 TYR 79 1HE TYR 79 -13.090 -2.409 2.058 608 HH TYR 79 HH TYR 79 -11.559 -4.765 3.636 609 H VAL 80 H VAL 80 -7.816 2.126 4.174 610 HA VAL 80 HA VAL 80 -6.625 4.342 2.642 611 HB VAL 80 HB VAL 80 -6.043 3.648 5.519 612 HG11 VAL 80 1HG1 VAL 80 -5.007 5.798 5.630 613 HG12 VAL 80 2HG1 VAL 80 -4.349 4.955 4.226 614 HG13 VAL 80 3HG1 VAL 80 -5.568 6.212 4.010 615 HG21 VAL 80 1HG2 VAL 80 -8.438 4.270 5.125 616 HG22 VAL 80 2HG2 VAL 80 -7.562 5.355 6.206 617 HG23 VAL 80 3HG2 VAL 80 -7.870 5.833 4.536 618 H PHE 81 H PHE 81 -4.978 3.733 1.414 619 HA PHE 81 HA PHE 81 -3.372 1.415 2.206 620 HB2 PHE 81 1HB PHE 81 -3.433 2.895 -0.432 621 HB3 PHE 81 2HB PHE 81 -2.572 1.395 -0.103 622 HD1 PHE 81 2HD PHE 81 -5.938 2.904 -0.348 623 HD2 PHE 81 1HD PHE 81 -3.649 -0.684 -0.264 624 HE1 PHE 81 2HE PHE 81 -7.930 1.621 -1.011 625 HE2 PHE 81 1HE PHE 81 -5.637 -1.972 -0.928 626 HZ PHE 81 HZ PHE 81 -7.782 -0.820 -1.301 627 H GLN 82 H GLN 82 -1.085 1.493 2.191 628 HA GLN 82 HA GLN 82 0.233 4.062 1.958 629 HB2 GLN 82 1HB GLN 82 -0.206 2.677 4.570 630 HB3 GLN 82 2HB GLN 82 1.299 3.548 4.311 631 HG2 GLN 82 1HG GLN 82 -0.169 5.527 3.644 632 HG3 GLN 82 2HG GLN 82 -1.497 4.621 4.366 633 HE21 GLN 82 1HE2 GLN 82 -0.062 7.164 5.089 634 HE22 GLN 82 2HE2 GLN 82 0.360 6.961 6.752 635 H VAL 83 H VAL 83 1.765 3.456 0.558 636 HA VAL 83 HA VAL 83 3.089 0.880 0.835 637 HB VAL 83 HB VAL 83 3.565 3.030 -1.233 638 HG11 VAL 83 1HG1 VAL 83 4.241 0.092 -1.295 639 HG12 VAL 83 2HG1 VAL 83 4.641 1.301 -2.518 640 HG13 VAL 83 3HG1 VAL 83 5.389 1.378 -0.922 641 HG21 VAL 83 1HG2 VAL 83 1.244 1.609 -0.897 642 HG22 VAL 83 2HG2 VAL 83 1.797 2.322 -2.412 643 HG23 VAL 83 3HG2 VAL 83 2.130 0.626 -2.063 644 H ARG 84 H ARG 84 5.326 0.618 1.096 645 HA ARG 84 HA ARG 84 7.008 2.904 1.623 646 HB2 ARG 84 1HB ARG 84 7.493 2.459 3.901 647 HB3 ARG 84 2HB ARG 84 5.739 2.465 3.771 648 HG2 ARG 84 1HG ARG 84 5.593 0.150 4.005 649 HG3 ARG 84 2HG ARG 84 7.299 -0.087 3.620 650 HD2 ARG 84 1HD ARG 84 7.939 0.958 5.718 651 HD3 ARG 84 2HD ARG 84 6.247 1.280 6.094 652 HE ARG 84 HE ARG 84 6.413 -1.436 5.709 653 HH11 ARG 84 2HH1 ARG 84 7.889 0.901 7.825 654 HH12 ARG 84 1HH1 ARG 84 8.100 -0.220 9.129 655 HH21 ARG 84 2HH2 ARG 84 6.685 -2.921 7.419 656 HH22 ARG 84 1HH2 ARG 84 7.416 -2.394 8.897 657 H ALA 85 H ALA 85 9.246 2.341 1.855 658 HA ALA 85 HA ALA 85 9.863 -0.230 0.590 659 HB1 ALA 85 1HB ALA 85 11.243 0.978 -0.655 660 HB2 ALA 85 2HB ALA 85 10.875 2.422 0.290 661 HB3 ALA 85 3HB ALA 85 12.189 1.354 0.785 662 H ARG 86 H ARG 86 11.276 -1.700 1.470 663 HA ARG 86 HA ARG 86 12.248 -1.134 4.192 664 HB2 ARG 86 1HB ARG 86 10.409 -2.593 4.512 665 HB3 ARG 86 2HB ARG 86 10.873 -3.600 3.147 666 HG2 ARG 86 1HG ARG 86 11.485 -4.877 4.973 667 HG3 ARG 86 2HG ARG 86 12.998 -4.092 4.518 668 HD2 ARG 86 1HD ARG 86 13.011 -2.741 6.360 669 HD3 ARG 86 2HD ARG 86 11.253 -2.713 6.484 670 HE ARG 86 HE ARG 86 11.816 -5.257 7.113 671 HH11 ARG 86 2HH1 ARG 86 13.149 -2.237 8.219 672 HH12 ARG 86 1HH1 ARG 86 13.538 -2.837 9.797 673 HH21 ARG 86 2HH2 ARG 86 12.323 -6.059 9.188 674 HH22 ARG 86 1HH2 ARG 86 13.069 -5.011 10.347 675 H THR 87 H THR 87 14.310 -1.700 4.630 676 HA THR 87 HA THR 87 15.764 -3.267 2.603 677 HB THR 87 HB THR 87 17.736 -1.840 2.934 678 HG1 THR 87 1HG THR 87 17.765 -0.512 4.571 679 HG21 THR 87 1HG2 THR 87 15.606 0.132 2.299 680 HG22 THR 87 2HG2 THR 87 15.690 -1.327 1.312 681 HG23 THR 87 3HG2 THR 87 17.086 -0.255 1.423 682 H SER 88 H SER 88 17.536 -4.495 3.360 683 HA SER 88 HA SER 88 17.220 -5.955 5.623 684 HB2 SER 88 1HB SER 88 19.528 -6.642 5.429 685 HB3 SER 88 2HB SER 88 18.884 -6.404 3.804 686 HG SER 88 HG SER 88 20.896 -5.419 3.956 687 H ALA 89 H ALA 89 18.838 -2.843 5.352 688 HA ALA 89 HA ALA 89 19.971 -2.770 7.930 689 HB1 ALA 89 1HB ALA 89 20.238 -0.400 7.576 690 HB2 ALA 89 2HB ALA 89 20.606 -1.258 6.080 691 HB3 ALA 89 3HB ALA 89 19.061 -0.429 6.263 692 H GLY 90 H GLY 90 17.085 -1.010 6.763 693 HA2 GLY 90 1HA GLY 90 15.665 -1.652 9.209 694 HA3 GLY 90 2HA GLY 90 16.097 0.042 9.029 695 H CYS 91 H CYS 91 13.761 0.379 9.107 696 HA CYS 91 HA CYS 91 12.527 -0.065 6.469 697 HB2 CYS 91 1HB CYS 91 10.343 -0.168 7.582 698 HB3 CYS 91 2HB CYS 91 11.420 -1.423 8.183 699 HG CYS 91 HG CYS 91 9.705 -0.140 10.177 700 H GLY 92 H GLY 92 11.456 1.637 5.522 701 HA2 GLY 92 1HA GLY 92 12.076 4.261 6.639 702 HA3 GLY 92 2HA GLY 92 11.515 3.930 5.007 703 H ARG 93 H ARG 93 10.465 5.995 6.542 704 HA ARG 93 HA ARG 93 8.116 5.296 7.941 705 HB2 ARG 93 1HB ARG 93 9.112 7.825 6.667 706 HB3 ARG 93 2HB ARG 93 7.488 7.745 7.335 707 HG2 ARG 93 1HG ARG 93 9.867 6.955 8.971 708 HG3 ARG 93 2HG ARG 93 9.384 8.645 8.810 709 HD2 ARG 93 1HD ARG 93 7.575 6.427 9.757 710 HD3 ARG 93 2HD ARG 93 8.454 7.523 10.822 711 HE ARG 93 HE ARG 93 7.000 9.113 9.092 712 HH11 ARG 93 2HH1 ARG 93 6.345 6.691 11.505 713 HH12 ARG 93 1HH1 ARG 93 4.805 7.356 11.942 714 HH21 ARG 93 2HH2 ARG 93 4.975 9.998 9.658 715 HH22 ARG 93 1HH2 ARG 93 4.027 9.236 10.890 716 H PHE 94 H PHE 94 5.942 5.375 7.313 717 HA PHE 94 HA PHE 94 5.391 4.341 4.736 718 HB2 PHE 94 1HB PHE 94 3.785 5.130 7.112 719 HB3 PHE 94 2HB PHE 94 2.939 5.010 5.572 720 HD1 PHE 94 1HD PHE 94 3.298 2.815 4.240 721 HD2 PHE 94 2HD PHE 94 4.088 3.241 8.401 722 HE1 PHE 94 1HE PHE 94 3.136 0.375 4.518 723 HE2 PHE 94 2HE PHE 94 3.928 0.803 8.685 724 HZ PHE 94 HZ PHE 94 3.452 -0.634 6.742 725 H SER 95 H SER 95 3.575 5.335 3.367 726 HA SER 95 HA SER 95 4.387 8.069 2.733 727 HB2 SER 95 1HB SER 95 4.364 6.326 0.944 728 HB3 SER 95 2HB SER 95 2.617 6.198 1.142 729 HG SER 95 HG SER 95 2.408 7.912 -0.041 730 H GLN 96 H GLN 96 2.470 9.393 1.720 731 HA GLN 96 HA GLN 96 0.799 10.195 3.776 732 HB2 GLN 96 1HB GLN 96 0.857 10.636 0.836 733 HB3 GLN 96 2HB GLN 96 -0.620 11.068 1.687 734 HG2 GLN 96 1HG GLN 96 0.860 12.402 3.261 735 HG3 GLN 96 2HG GLN 96 2.142 12.171 2.073 736 HE21 GLN 96 1HE2 GLN 96 -1.079 13.489 2.561 737 HE22 GLN 96 2HE2 GLN 96 -0.989 14.669 1.303 738 H ALA 97 H ALA 97 -1.245 9.713 4.428 739 HA ALA 97 HA ALA 97 -2.264 7.133 3.858 740 HB1 ALA 97 1HB ALA 97 -2.724 9.154 5.775 741 HB2 ALA 97 2HB ALA 97 -4.279 8.771 5.035 742 HB3 ALA 97 3HB ALA 97 -3.317 7.492 5.776 743 H MET 98 H MET 98 -2.995 6.699 1.858 744 HA MET 98 HA MET 98 -4.502 8.649 0.348 745 HB2 MET 98 1HB MET 98 -2.876 7.136 -0.745 746 HB3 MET 98 2HB MET 98 -3.880 5.762 -0.301 747 HG2 MET 98 1HG MET 98 -5.462 6.227 -1.869 748 HG3 MET 98 2HG MET 98 -5.138 7.959 -1.843 749 HE1 MET 98 1HE MET 98 -4.321 4.539 -3.020 750 HE2 MET 98 2HE MET 98 -5.053 5.245 -4.461 751 HE3 MET 98 3HE MET 98 -3.358 4.755 -4.483 752 H GLU 99 H GLU 99 -6.628 8.234 -0.520 753 HA GLU 99 HA GLU 99 -8.247 6.447 1.174 754 HB2 GLU 99 1HB GLU 99 -8.763 9.282 0.325 755 HB3 GLU 99 2HB GLU 99 -10.096 8.209 0.728 756 HG2 GLU 99 1HG GLU 99 -8.956 7.810 2.936 757 HG3 GLU 99 2HG GLU 99 -7.865 9.129 2.515 758 H VAL 100 H VAL 100 -9.329 4.955 0.080 759 HA VAL 100 HA VAL 100 -10.341 5.543 -2.593 760 HB VAL 100 HB VAL 100 -8.430 3.294 -1.984 761 HG11 VAL 100 1HG1 VAL 100 -9.238 3.132 -4.667 762 HG12 VAL 100 2HG1 VAL 100 -9.549 1.972 -3.374 763 HG13 VAL 100 3HG1 VAL 100 -10.717 3.249 -3.714 764 HG21 VAL 100 1HG2 VAL 100 -8.364 5.152 -4.333 765 HG22 VAL 100 2HG2 VAL 100 -7.693 5.637 -2.776 766 HG23 VAL 100 3HG2 VAL 100 -7.049 4.223 -3.612 767 H GLU 101 H GLU 101 -12.304 4.691 -2.923 768 HA GLU 101 HA GLU 101 -13.323 2.811 -0.908 769 HB2 GLU 101 1HB GLU 101 -14.405 5.131 -1.431 770 HB3 GLU 101 2HB GLU 101 -15.071 4.303 -2.832 771 HG2 GLU 101 1HG GLU 101 -15.779 2.541 -0.987 772 HG3 GLU 101 2HG GLU 101 -15.688 3.967 0.045 773 H THR 102 H THR 102 -14.454 0.961 -1.509 774 HA THR 102 HA THR 102 -13.755 -0.064 -4.146 775 HB THR 102 HB THR 102 -14.585 -2.244 -3.259 776 HG1 THR 102 1HG THR 102 -14.617 -1.176 -0.670 777 HG21 THR 102 1HG2 THR 102 -12.338 -0.692 -2.155 778 HG22 THR 102 2HG2 THR 102 -12.352 -2.280 -2.923 779 HG23 THR 102 3HG2 THR 102 -12.798 -2.117 -1.224 780 H GLY 103 H GLY 103 -15.543 -1.703 -4.990 781 HA2 GLY 103 1HA GLY 103 -17.762 -0.060 -5.751 782 HA3 GLY 103 2HA GLY 103 -17.490 -1.730 -6.227 783 H LYS 104 H LYS 104 -19.540 0.252 -4.605 784 HA LYS 104 HA LYS 104 -20.244 -1.031 -2.264 785 HB2 LYS 104 1HB LYS 104 -21.699 0.646 -4.243 786 HB3 LYS 104 2HB LYS 104 -22.667 -0.236 -3.070 787 HG2 LYS 104 1HG LYS 104 -20.901 0.830 -1.395 788 HG3 LYS 104 2HG LYS 104 -20.812 2.037 -2.680 789 HD2 LYS 104 1HD LYS 104 -22.528 2.923 -1.470 790 HD3 LYS 104 2HD LYS 104 -23.455 1.848 -2.519 791 HE2 LYS 104 1HE LYS 104 -22.417 0.755 0.043 792 HE3 LYS 104 2HE LYS 104 -23.780 1.872 0.112 793 HZ1 LYS 104 1HZ LYS 104 -23.694 -0.611 -1.515 794 HZ2 LYS 104 2HZ LYS 104 -25.010 0.440 -1.368 795 HZ3 LYS 104 3HZ LYS 104 -24.486 -0.450 -0.029 796 HA PRO 105 HA PRO 105 -21.873 -4.954 -3.401 797 HB2 PRO 105 1HB PRO 105 -23.602 -5.355 -1.347 798 HB3 PRO 105 2HB PRO 105 -21.847 -5.458 -1.160 799 HG2 PRO 105 1HG PRO 105 -23.694 -3.197 -0.496 800 HG3 PRO 105 2HG PRO 105 -22.332 -3.840 0.439 801 HD2 PRO 105 1HD PRO 105 -22.137 -1.597 -1.065 802 HD3 PRO 105 2HD PRO 105 -20.770 -2.702 -0.816 803 H SER 106 H SER 106 -23.984 -2.228 -2.890 804 HA SER 106 HA SER 106 -26.456 -3.306 -3.545 805 HB2 SER 106 1HB SER 106 -25.298 -0.559 -4.019 806 HB3 SER 106 2HB SER 106 -26.973 -0.958 -4.403 807 HG SER 106 HG SER 106 -26.727 -0.066 -2.295 808 H GLY 107 H GLY 107 -24.305 -1.543 -5.789 809 HA2 GLY 107 1HA GLY 107 -23.779 -2.841 -7.888 810 HA3 GLY 107 2HA GLY 107 -25.513 -3.110 -7.983 811 HA PRO 108 HA PRO 108 -24.327 0.698 -10.434 812 HB2 PRO 108 1HB PRO 108 -25.395 -0.145 -12.783 813 HB3 PRO 108 2HB PRO 108 -23.733 -0.503 -12.301 814 HG2 PRO 108 1HG PRO 108 -26.170 -2.232 -12.125 815 HG3 PRO 108 2HG PRO 108 -24.529 -2.661 -12.643 816 HD2 PRO 108 1HD PRO 108 -25.470 -3.229 -10.169 817 HD3 PRO 108 2HD PRO 108 -23.762 -2.859 -10.479 818 H SER 109 H SER 109 -25.917 1.727 -9.096 819 HA SER 109 HA SER 109 -28.718 1.392 -9.753 820 HB2 SER 109 1HB SER 109 -27.176 2.899 -7.687 821 HB3 SER 109 2HB SER 109 -28.808 3.443 -8.073 822 HG SER 109 HG SER 109 -28.835 1.919 -6.389 823 H SER 110 H SER 110 -29.975 3.598 -9.891 824 HA SER 110 HA SER 110 -28.648 5.222 -11.963 825 HB2 SER 110 1HB SER 110 -30.666 3.709 -12.595 826 HB3 SER 110 2HB SER 110 -31.635 4.928 -11.768 827 HG SER 110 HG SER 110 -30.094 5.159 -14.107 828 H GLY 111 H GLY 111 -29.828 7.422 -12.214 829 HA2 GLY 111 1HA GLY 111 -30.753 9.341 -11.240 830 HA3 GLY 111 2HA GLY 111 -30.832 8.495 -9.702 Start of MODEL 11 1 H1 GLY 1 H GLY 1 22.775 2.017 26.261 2 HA2 GLY 1 1HA GLY 1 22.777 -0.325 25.636 3 HA3 GLY 1 2HA GLY 1 23.068 0.174 23.976 4 H SER 2 H SER 2 24.535 -1.601 25.959 5 HA SER 2 HA SER 2 26.999 -0.340 26.573 6 HB2 SER 2 1HB SER 2 26.325 -3.278 26.290 7 HB3 SER 2 2HB SER 2 27.819 -2.647 26.983 8 HG SER 2 HG SER 2 25.288 -1.889 27.980 9 H SER 3 H SER 3 25.987 -2.494 23.938 10 HA SER 3 HA SER 3 28.545 -2.053 22.590 11 HB2 SER 3 1HB SER 3 26.354 -4.065 22.347 12 HB3 SER 3 2HB SER 3 27.327 -3.723 20.916 13 HG SER 3 HG SER 3 28.584 -5.168 21.826 14 H GLY 4 H GLY 4 28.342 -1.831 20.115 15 HA2 GLY 4 1HA GLY 4 26.077 -0.123 19.363 16 HA3 GLY 4 2HA GLY 4 27.701 0.532 19.219 17 H SER 5 H SER 5 25.376 -1.703 17.920 18 HA SER 5 HA SER 5 27.171 -2.736 15.909 19 HB2 SER 5 1HB SER 5 25.075 -3.882 17.012 20 HB3 SER 5 2HB SER 5 24.195 -3.034 15.741 21 HG SER 5 HG SER 5 24.825 -4.554 14.453 22 H SER 6 H SER 6 27.399 -2.061 13.854 23 HA SER 6 HA SER 6 26.660 0.528 13.105 24 HB2 SER 6 1HB SER 6 27.519 -0.026 10.902 25 HB3 SER 6 2HB SER 6 28.560 -0.753 12.126 26 HG SER 6 HG SER 6 26.454 -2.311 11.209 27 H GLY 7 H GLY 7 25.252 1.237 11.385 28 HA2 GLY 7 1HA GLY 7 23.214 -0.521 10.377 29 HA3 GLY 7 2HA GLY 7 22.621 0.552 11.636 30 H GLN 8 H GLN 8 23.182 0.205 8.348 31 HA GLN 8 HA GLN 8 23.816 2.775 7.492 32 HB2 GLN 8 1HB GLN 8 22.291 0.508 6.258 33 HB3 GLN 8 2HB GLN 8 22.378 2.058 5.431 34 HG2 GLN 8 1HG GLN 8 24.611 0.181 6.118 35 HG3 GLN 8 2HG GLN 8 24.108 0.763 4.531 36 HE21 GLN 8 1HE2 GLN 8 26.557 0.941 6.520 37 HE22 GLN 8 2HE2 GLN 8 27.081 2.570 6.286 38 H ALA 9 H ALA 9 22.427 4.403 6.514 39 HA ALA 9 HA ALA 9 20.338 5.197 8.250 40 HB1 ALA 9 1HB ALA 9 21.747 6.302 5.972 41 HB2 ALA 9 2HB ALA 9 20.029 6.703 5.946 42 HB3 ALA 9 3HB ALA 9 21.011 7.119 7.351 43 H ALA 10 H ALA 10 18.179 4.952 8.140 44 HA ALA 10 HA ALA 10 16.989 2.913 6.709 45 HB1 ALA 10 1HB ALA 10 15.676 3.551 8.453 46 HB2 ALA 10 2HB ALA 10 15.972 5.271 8.194 47 HB3 ALA 10 3HB ALA 10 14.841 4.404 7.155 48 HA PRO 11 HA PRO 11 16.181 4.328 2.636 49 HB2 PRO 11 1HB PRO 11 13.693 3.351 2.159 50 HB3 PRO 11 2HB PRO 11 15.128 2.323 2.249 51 HG2 PRO 11 1HG PRO 11 13.050 2.862 4.335 52 HG3 PRO 11 2HG PRO 11 13.811 1.325 3.885 53 HD2 PRO 11 1HD PRO 11 14.575 2.747 6.059 54 HD3 PRO 11 2HD PRO 11 15.710 1.760 5.116 55 H SER 12 H SER 12 13.907 5.096 1.375 56 HA SER 12 HA SER 12 13.190 7.565 2.804 57 HB2 SER 12 1HB SER 12 14.368 7.922 0.682 58 HB3 SER 12 2HB SER 12 13.146 6.973 -0.166 59 HG SER 12 HG SER 12 13.100 9.572 0.501 60 H GLN 13 H GLN 13 10.993 8.464 2.073 61 HA GLN 13 HA GLN 13 9.036 6.285 2.299 62 HB2 GLN 13 1HB GLN 13 9.018 7.970 4.097 63 HB3 GLN 13 2HB GLN 13 8.720 9.230 2.907 64 HG2 GLN 13 1HG GLN 13 6.648 7.752 2.306 65 HG3 GLN 13 2HG GLN 13 6.891 7.119 3.933 66 HE21 GLN 13 1HE2 GLN 13 5.479 9.525 2.099 67 HE22 GLN 13 2HE2 GLN 13 5.071 10.621 3.370 68 H VAL 14 H VAL 14 8.147 5.703 0.437 69 HA VAL 14 HA VAL 14 8.240 7.073 -1.965 70 HB VAL 14 HB VAL 14 6.185 5.064 -1.037 71 HG11 VAL 14 1HG1 VAL 14 5.147 6.052 -2.862 72 HG12 VAL 14 2HG1 VAL 14 6.672 6.332 -3.705 73 HG13 VAL 14 3HG1 VAL 14 6.013 4.700 -3.590 74 HG21 VAL 14 1HG2 VAL 14 8.752 4.554 -1.220 75 HG22 VAL 14 2HG2 VAL 14 7.562 3.401 -1.824 76 HG23 VAL 14 3HG2 VAL 14 8.398 4.474 -2.946 77 H VAL 15 H VAL 15 7.208 8.778 -2.773 78 HA VAL 15 HA VAL 15 4.773 9.714 -1.397 79 HB VAL 15 HB VAL 15 5.376 11.989 -2.232 80 HG11 VAL 15 1HG1 VAL 15 7.198 12.355 -0.581 81 HG12 VAL 15 2HG1 VAL 15 5.842 11.422 0.056 82 HG13 VAL 15 3HG1 VAL 15 7.336 10.606 -0.407 83 HG21 VAL 15 1HG2 VAL 15 8.192 11.230 -2.617 84 HG22 VAL 15 2HG2 VAL 15 7.091 10.718 -3.896 85 HG23 VAL 15 3HG2 VAL 15 7.211 12.425 -3.467 86 H VAL 16 H VAL 16 5.301 7.921 -3.841 87 HA VAL 16 HA VAL 16 3.454 9.347 -5.638 88 HB VAL 16 HB VAL 16 5.757 7.581 -6.478 89 HG11 VAL 16 1HG1 VAL 16 4.099 7.133 -8.045 90 HG12 VAL 16 2HG1 VAL 16 3.468 8.780 -7.994 91 HG13 VAL 16 3HG1 VAL 16 5.007 8.448 -8.789 92 HG21 VAL 16 1HG2 VAL 16 5.353 10.469 -7.187 93 HG22 VAL 16 2HG2 VAL 16 6.205 9.988 -5.720 94 HG23 VAL 16 3HG2 VAL 16 6.821 9.499 -7.298 95 H ILE 17 H ILE 17 1.567 8.326 -5.441 96 HA ILE 17 HA ILE 17 1.509 5.429 -5.854 97 HB ILE 17 HB ILE 17 0.124 6.846 -3.577 98 HG12 ILE 17 1HG1 ILE 17 2.024 4.494 -3.545 99 HG13 ILE 17 2HG1 ILE 17 2.522 6.160 -3.275 100 HG21 ILE 17 1HG2 ILE 17 -0.737 4.513 -3.066 101 HG22 ILE 17 2HG2 ILE 17 -1.488 5.354 -4.422 102 HG23 ILE 17 3HG2 ILE 17 -0.287 4.098 -4.720 103 HD11 ILE 17 1HD1 ILE 17 1.463 4.278 -1.422 104 HD12 ILE 17 2HD1 ILE 17 2.072 5.908 -1.130 105 HD13 ILE 17 3HD1 ILE 17 0.373 5.659 -1.530 106 H ARG 18 H ARG 18 -0.237 4.699 -6.992 107 HA ARG 18 HA ARG 18 -2.409 6.576 -7.574 108 HB2 ARG 18 1HB ARG 18 -0.971 5.030 -9.735 109 HB3 ARG 18 2HB ARG 18 -2.273 6.192 -9.950 110 HG2 ARG 18 1HG ARG 18 -0.866 8.005 -9.314 111 HG3 ARG 18 2HG ARG 18 0.413 6.903 -8.802 112 HD2 ARG 18 1HD ARG 18 1.007 6.373 -10.970 113 HD3 ARG 18 2HD ARG 18 -0.574 6.810 -11.617 114 HE ARG 18 HE ARG 18 0.446 9.163 -10.702 115 HH11 ARG 18 2HH1 ARG 18 1.559 6.706 -12.902 116 HH12 ARG 18 1HH1 ARG 18 2.476 7.808 -13.875 117 HH21 ARG 18 2HH2 ARG 18 1.648 10.625 -11.976 118 HH22 ARG 18 1HH2 ARG 18 2.526 10.037 -13.347 119 H GLN 19 H GLN 19 -4.159 5.407 -8.906 120 HA GLN 19 HA GLN 19 -4.438 2.659 -7.878 121 HB2 GLN 19 1HB GLN 19 -5.996 4.042 -6.710 122 HB3 GLN 19 2HB GLN 19 -6.510 4.828 -8.196 123 HG2 GLN 19 1HG GLN 19 -7.251 2.449 -8.903 124 HG3 GLN 19 2HG GLN 19 -7.166 2.101 -7.177 125 HE21 GLN 19 1HE2 GLN 19 -8.176 4.104 -5.898 126 HE22 GLN 19 2HE2 GLN 19 -9.779 4.497 -6.409 127 H GLU 20 H GLU 20 -4.026 1.368 -9.568 128 HA GLU 20 HA GLU 20 -4.562 2.050 -12.268 129 HB2 GLU 20 1HB GLU 20 -3.591 -0.344 -10.813 130 HB3 GLU 20 2HB GLU 20 -4.300 -0.624 -12.397 131 HG2 GLU 20 1HG GLU 20 -2.221 1.486 -12.059 132 HG3 GLU 20 2HG GLU 20 -1.748 -0.209 -12.160 133 H ARG 21 H ARG 21 -6.194 -0.091 -9.953 134 HA ARG 21 HA ARG 21 -8.700 0.304 -11.356 135 HB2 ARG 21 1HB ARG 21 -9.002 -2.311 -11.195 136 HB3 ARG 21 2HB ARG 21 -8.232 -1.573 -12.593 137 HG2 ARG 21 1HG ARG 21 -6.026 -2.022 -11.538 138 HG3 ARG 21 2HG ARG 21 -6.870 -2.899 -10.261 139 HD2 ARG 21 1HD ARG 21 -7.605 -4.566 -11.741 140 HD3 ARG 21 2HD ARG 21 -7.243 -3.583 -13.159 141 HE ARG 21 HE ARG 21 -5.033 -4.234 -13.025 142 HH11 ARG 21 2HH1 ARG 21 -6.767 -5.275 -10.192 143 HH12 ARG 21 1HH1 ARG 21 -5.493 -6.308 -9.633 144 HH21 ARG 21 2HH2 ARG 21 -3.349 -5.591 -12.300 145 HH22 ARG 21 1HH2 ARG 21 -3.550 -6.486 -10.832 146 H ALA 22 H ALA 22 -10.525 -0.166 -10.095 147 HA ALA 22 HA ALA 22 -10.000 -0.953 -7.310 148 HB1 ALA 22 1HB ALA 22 -10.189 1.346 -7.052 149 HB2 ALA 22 2HB ALA 22 -11.432 1.484 -8.296 150 HB3 ALA 22 3HB ALA 22 -11.827 0.776 -6.730 151 H GLY 23 H GLY 23 -11.164 -2.687 -6.818 152 HA2 GLY 23 1HA GLY 23 -13.751 -3.067 -8.195 153 HA3 GLY 23 2HA GLY 23 -12.709 -4.384 -7.678 154 H GLN 24 H GLN 24 -14.522 -5.269 -6.552 155 HA GLN 24 HA GLN 24 -15.786 -3.820 -4.436 156 HB2 GLN 24 1HB GLN 24 -15.905 -6.577 -5.525 157 HB3 GLN 24 2HB GLN 24 -16.397 -6.369 -3.849 158 HG2 GLN 24 1HG GLN 24 -18.249 -5.170 -4.391 159 HG3 GLN 24 2HG GLN 24 -17.523 -4.498 -5.850 160 HE21 GLN 24 1HE2 GLN 24 -20.020 -6.191 -5.006 161 HE22 GLN 24 2HE2 GLN 24 -20.129 -7.345 -6.287 162 H THR 25 H THR 25 -13.828 -6.799 -4.288 163 HA THR 25 HA THR 25 -12.848 -5.906 -1.657 164 HB THR 25 HB THR 25 -12.654 -8.133 -0.958 165 HG1 THR 25 1HG THR 25 -12.527 -8.659 -3.700 166 HG21 THR 25 1HG2 THR 25 -14.880 -9.217 -1.894 167 HG22 THR 25 2HG2 THR 25 -15.118 -7.594 -2.542 168 HG23 THR 25 3HG2 THR 25 -14.921 -7.830 -0.806 169 H SER 26 H SER 26 -11.825 -5.478 -4.530 170 HA SER 26 HA SER 26 -9.039 -6.154 -3.907 171 HB2 SER 26 1HB SER 26 -8.656 -6.742 -6.295 172 HB3 SER 26 2HB SER 26 -9.764 -7.852 -5.489 173 HG SER 26 HG SER 26 -11.350 -6.100 -6.427 174 H VAL 27 H VAL 27 -7.501 -4.706 -4.686 175 HA VAL 27 HA VAL 27 -8.339 -2.435 -6.283 176 HB VAL 27 HB VAL 27 -7.323 -2.050 -3.463 177 HG11 VAL 27 1HG1 VAL 27 -6.403 -0.458 -5.165 178 HG12 VAL 27 2HG1 VAL 27 -8.059 0.069 -5.474 179 HG13 VAL 27 3HG1 VAL 27 -7.342 0.297 -3.878 180 HG21 VAL 27 1HG2 VAL 27 -9.994 -1.690 -4.765 181 HG22 VAL 27 2HG2 VAL 27 -9.594 -2.470 -3.235 182 HG23 VAL 27 3HG2 VAL 27 -9.539 -0.713 -3.369 183 H SER 28 H SER 28 -6.742 -1.853 -7.604 184 HA SER 28 HA SER 28 -4.062 -2.916 -7.093 185 HB2 SER 28 1HB SER 28 -4.996 -3.503 -9.252 186 HB3 SER 28 2HB SER 28 -5.324 -1.808 -9.611 187 HG SER 28 HG SER 28 -2.935 -1.575 -9.300 188 H LEU 29 H LEU 29 -2.292 -1.652 -6.842 189 HA LEU 29 HA LEU 29 -2.701 1.265 -6.937 190 HB2 LEU 29 1HB LEU 29 -0.977 -0.298 -5.021 191 HB3 LEU 29 2HB LEU 29 -1.114 1.458 -5.082 192 HG LEU 29 HG LEU 29 -3.363 -0.431 -4.389 193 HD11 LEU 29 1HD1 LEU 29 -1.253 0.838 -2.781 194 HD12 LEU 29 2HD1 LEU 29 -2.223 -0.597 -2.458 195 HD13 LEU 29 3HD1 LEU 29 -2.892 1.006 -2.154 196 HD21 LEU 29 1HD2 LEU 29 -3.187 2.458 -4.906 197 HD22 LEU 29 2HD2 LEU 29 -4.055 2.007 -3.438 198 HD23 LEU 29 3HD2 LEU 29 -4.570 1.366 -5.000 199 H LEU 30 H LEU 30 -0.727 2.529 -7.297 200 HA LEU 30 HA LEU 30 1.446 1.084 -8.615 201 HB2 LEU 30 1HB LEU 30 -0.434 2.995 -9.889 202 HB3 LEU 30 2HB LEU 30 1.266 3.094 -10.344 203 HG LEU 30 HG LEU 30 -0.720 0.928 -10.873 204 HD11 LEU 30 1HD1 LEU 30 -0.501 2.273 -12.724 205 HD12 LEU 30 2HD1 LEU 30 0.707 1.032 -13.055 206 HD13 LEU 30 3HD1 LEU 30 1.205 2.601 -12.421 207 HD21 LEU 30 1HD2 LEU 30 0.852 -0.484 -9.977 208 HD22 LEU 30 2HD2 LEU 30 2.198 0.587 -10.367 209 HD23 LEU 30 3HD2 LEU 30 1.429 -0.363 -11.639 210 H TRP 31 H TRP 31 3.324 1.797 -7.871 211 HA TRP 31 HA TRP 31 3.631 4.636 -7.221 212 HB2 TRP 31 1HB TRP 31 4.677 4.167 -5.093 213 HB3 TRP 31 2HB TRP 31 3.085 3.414 -5.120 214 HD1 TRP 31 HD TRP 31 6.800 2.564 -5.024 215 HE1 TRP 31 1HE TRP 31 7.067 0.064 -4.473 216 HE3 TRP 31 3HE TRP 31 1.903 1.133 -5.356 217 HZ2 TRP 31 2HZ TRP 31 5.419 -2.213 -4.215 218 HZ3 TRP 31 3HZ TRP 31 1.333 -1.224 -4.943 219 HH2 TRP 31 HH TRP 31 3.056 -2.861 -4.385 220 H GLN 32 H GLN 32 5.631 5.466 -7.647 221 HA GLN 32 HA GLN 32 7.439 3.736 -9.136 222 HB2 GLN 32 1HB GLN 32 8.410 5.703 -10.010 223 HB3 GLN 32 2HB GLN 32 6.682 6.023 -9.949 224 HG2 GLN 32 1HG GLN 32 6.885 7.504 -8.184 225 HG3 GLN 32 2HG GLN 32 8.447 6.856 -7.689 226 HE21 GLN 32 1HE2 GLN 32 10.176 7.087 -9.440 227 HE22 GLN 32 2HE2 GLN 32 10.257 8.627 -10.219 228 H GLU 33 H GLU 33 9.828 4.094 -8.813 229 HA GLU 33 HA GLU 33 10.625 3.272 -6.298 230 HB2 GLU 33 1HB GLU 33 12.020 4.405 -8.665 231 HB3 GLU 33 2HB GLU 33 12.910 4.377 -7.149 232 HG2 GLU 33 1HG GLU 33 13.045 2.109 -7.102 233 HG3 GLU 33 2HG GLU 33 11.532 1.889 -7.980 234 HA PRO 34 HA PRO 34 10.567 6.860 -3.753 235 HB2 PRO 34 1HB PRO 34 12.419 6.124 -1.910 236 HB3 PRO 34 2HB PRO 34 10.799 5.421 -1.977 237 HG2 PRO 34 1HG PRO 34 13.381 4.330 -3.028 238 HG3 PRO 34 2HG PRO 34 12.085 3.492 -2.155 239 HD2 PRO 34 1HD PRO 34 12.364 3.342 -4.844 240 HD3 PRO 34 2HD PRO 34 10.781 3.276 -4.044 241 H GLU 35 H GLU 35 12.593 7.989 -2.345 242 HA GLU 35 HA GLU 35 14.673 8.638 -4.317 243 HB2 GLU 35 1HB GLU 35 14.367 11.046 -3.181 244 HB3 GLU 35 2HB GLU 35 13.505 10.561 -4.634 245 HG2 GLU 35 1HG GLU 35 11.592 9.883 -3.227 246 HG3 GLU 35 2HG GLU 35 12.455 10.492 -1.816 247 H GLN 36 H GLN 36 16.580 8.192 -3.455 248 HA GLN 36 HA GLN 36 18.324 8.090 -1.996 249 HB2 GLN 36 1HB GLN 36 16.660 9.858 -0.198 250 HB3 GLN 36 2HB GLN 36 18.396 9.597 -0.102 251 HG2 GLN 36 1HG GLN 36 18.290 10.500 -2.589 252 HG3 GLN 36 2HG GLN 36 16.825 11.266 -1.977 253 HE21 GLN 36 1HE2 GLN 36 16.983 12.820 -0.360 254 HE22 GLN 36 2HE2 GLN 36 18.478 13.597 0.023 255 HA PRO 37 HA PRO 37 15.572 5.138 0.511 256 HB2 PRO 37 1HB PRO 37 16.055 2.885 -0.925 257 HB3 PRO 37 2HB PRO 37 14.711 3.979 -1.276 258 HG2 PRO 37 1HG PRO 37 17.387 3.779 -2.603 259 HG3 PRO 37 2HG PRO 37 15.785 3.982 -3.338 260 HD2 PRO 37 1HD PRO 37 17.501 6.048 -2.989 261 HD3 PRO 37 2HD PRO 37 15.738 6.247 -2.912 262 H ASN 38 H ASN 38 18.705 5.796 -0.147 263 HA ASN 38 HA ASN 38 20.708 5.193 0.744 264 HB2 ASN 38 1HB ASN 38 18.760 4.250 2.820 265 HB3 ASN 38 2HB ASN 38 20.473 3.883 3.002 266 HD21 ASN 38 1HD2 ASN 38 18.372 6.629 2.201 267 HD22 ASN 38 2HD2 ASN 38 19.243 7.787 3.143 268 H GLY 39 H GLY 39 19.601 3.492 -1.262 269 HA2 GLY 39 1HA GLY 39 21.109 1.586 -1.935 270 HA3 GLY 39 2HA GLY 39 20.634 0.859 -0.407 271 H ILE 40 H ILE 40 20.185 -0.773 -2.330 272 HA ILE 40 HA ILE 40 17.758 -0.394 -3.777 273 HB ILE 40 HB ILE 40 19.290 -2.929 -3.187 274 HG12 ILE 40 1HG1 ILE 40 19.697 -2.478 -5.796 275 HG13 ILE 40 2HG1 ILE 40 19.473 -0.813 -5.270 276 HG21 ILE 40 1HG2 ILE 40 17.964 -3.527 -5.412 277 HG22 ILE 40 2HG2 ILE 40 17.295 -3.824 -3.808 278 HG23 ILE 40 3HG2 ILE 40 16.808 -2.392 -4.715 279 HD11 ILE 40 1HD1 ILE 40 21.614 -0.799 -4.720 280 HD12 ILE 40 2HD1 ILE 40 21.227 -1.925 -3.419 281 HD13 ILE 40 3HD1 ILE 40 21.754 -2.536 -4.986 282 H ILE 41 H ILE 41 15.751 -1.414 -3.471 283 HA ILE 41 HA ILE 41 15.202 -2.123 -0.669 284 HB ILE 41 HB ILE 41 13.319 -1.124 -2.808 285 HG12 ILE 41 1HG1 ILE 41 13.816 0.305 -0.240 286 HG13 ILE 41 2HG1 ILE 41 15.065 0.389 -1.478 287 HG21 ILE 41 1HG2 ILE 41 11.650 -1.033 -0.988 288 HG22 ILE 41 2HG2 ILE 41 12.164 -2.675 -1.368 289 HG23 ILE 41 3HG2 ILE 41 12.793 -1.864 0.066 290 HD11 ILE 41 1HD1 ILE 41 13.412 1.268 -3.059 291 HD12 ILE 41 2HD1 ILE 41 12.192 1.225 -1.785 292 HD13 ILE 41 3HD1 ILE 41 13.589 2.290 -1.633 293 H LEU 42 H LEU 42 14.860 -4.191 -0.237 294 HA LEU 42 HA LEU 42 14.769 -6.233 -2.125 295 HB2 LEU 42 1HB LEU 42 13.576 -6.350 0.636 296 HB3 LEU 42 2HB LEU 42 14.169 -7.700 -0.328 297 HG LEU 42 HG LEU 42 15.998 -5.504 0.594 298 HD11 LEU 42 1HD1 LEU 42 14.924 -7.827 2.127 299 HD12 LEU 42 2HD1 LEU 42 15.267 -6.183 2.665 300 HD13 LEU 42 3HD1 LEU 42 16.592 -7.311 2.380 301 HD21 LEU 42 1HD2 LEU 42 16.912 -6.888 -1.122 302 HD22 LEU 42 2HD2 LEU 42 16.376 -8.356 -0.304 303 HD23 LEU 42 3HD2 LEU 42 17.654 -7.368 0.404 304 H GLU 43 H GLU 43 12.050 -5.107 -0.102 305 HA GLU 43 HA GLU 43 10.245 -5.444 -2.362 306 HB2 GLU 43 1HB GLU 43 8.667 -6.813 -1.071 307 HB3 GLU 43 2HB GLU 43 10.205 -7.635 -1.295 308 HG2 GLU 43 1HG GLU 43 10.809 -6.717 1.020 309 HG3 GLU 43 2HG GLU 43 9.083 -6.398 1.189 310 H TYR 44 H TYR 44 7.922 -4.822 -1.593 311 HA TYR 44 HA TYR 44 8.162 -2.478 0.178 312 HB2 TYR 44 1HB TYR 44 6.600 -2.839 -2.375 313 HB3 TYR 44 2HB TYR 44 6.234 -1.555 -1.228 314 HD1 TYR 44 1HD TYR 44 8.855 -2.894 -3.473 315 HD2 TYR 44 2HD TYR 44 7.544 0.417 -1.145 316 HE1 TYR 44 1HE TYR 44 10.591 -1.489 -4.505 317 HE2 TYR 44 2HE TYR 44 9.275 1.831 -2.171 318 HH TYR 44 HH TYR 44 10.764 1.240 -4.883 319 H GLU 45 H GLU 45 6.546 -2.094 1.654 320 HA GLU 45 HA GLU 45 4.660 -4.313 2.055 321 HB2 GLU 45 1HB GLU 45 6.337 -3.742 3.863 322 HB3 GLU 45 2HB GLU 45 5.469 -2.229 4.081 323 HG2 GLU 45 1HG GLU 45 3.479 -3.398 4.733 324 HG3 GLU 45 2HG GLU 45 4.222 -4.952 4.359 325 H ILE 46 H ILE 46 2.491 -3.962 2.259 326 HA ILE 46 HA ILE 46 1.556 -1.194 1.870 327 HB ILE 46 HB ILE 46 0.224 -3.664 0.757 328 HG12 ILE 46 1HG1 ILE 46 1.510 -1.608 -0.981 329 HG13 ILE 46 2HG1 ILE 46 2.547 -2.793 -0.194 330 HG21 ILE 46 1HG2 ILE 46 -0.469 -1.184 -0.509 331 HG22 ILE 46 2HG2 ILE 46 -1.510 -2.359 0.294 332 HG23 ILE 46 3HG2 ILE 46 -0.742 -1.077 1.230 333 HD11 ILE 46 1HD1 ILE 46 1.382 -4.595 -1.260 334 HD12 ILE 46 2HD1 ILE 46 0.196 -3.479 -1.938 335 HD13 ILE 46 3HD1 ILE 46 1.872 -3.422 -2.482 336 H LYS 47 H LYS 47 0.455 -0.498 3.567 337 HA LYS 47 HA LYS 47 -1.013 -2.452 5.206 338 HB2 LYS 47 1HB LYS 47 0.601 -1.381 6.562 339 HB3 LYS 47 2HB LYS 47 0.252 0.198 5.870 340 HG2 LYS 47 1HG LYS 47 -1.991 0.104 6.933 341 HG3 LYS 47 2HG LYS 47 -1.502 -1.397 7.725 342 HD2 LYS 47 1HD LYS 47 -0.059 -0.337 9.145 343 HD3 LYS 47 2HD LYS 47 0.278 0.967 8.003 344 HE2 LYS 47 1HE LYS 47 -2.084 1.762 8.412 345 HE3 LYS 47 2HE LYS 47 -2.154 0.605 9.740 346 HZ1 LYS 47 1HZ LYS 47 -1.250 2.174 10.995 347 HZ2 LYS 47 2HZ LYS 47 -0.955 3.179 9.667 348 HZ3 LYS 47 3HZ LYS 47 0.183 2.008 10.109 349 H TYR 48 H TYR 48 -3.150 -2.433 5.066 350 HA TYR 48 HA TYR 48 -4.498 0.091 4.367 351 HB2 TYR 48 1HB TYR 48 -6.223 -1.477 3.233 352 HB3 TYR 48 2HB TYR 48 -4.726 -1.115 2.382 353 HD1 TYR 48 1HD TYR 48 -2.819 -2.822 2.572 354 HD2 TYR 48 2HD TYR 48 -6.844 -3.693 3.641 355 HE1 TYR 48 1HE TYR 48 -2.345 -5.227 2.372 356 HE2 TYR 48 2HE TYR 48 -6.381 -6.101 3.445 357 HH TYR 48 HH TYR 48 -4.704 -7.649 3.316 358 H TYR 49 H TYR 49 -6.094 0.677 5.694 359 HA TYR 49 HA TYR 49 -7.382 -1.352 7.373 360 HB2 TYR 49 1HB TYR 49 -7.158 0.030 9.362 361 HB3 TYR 49 2HB TYR 49 -5.566 -0.317 8.698 362 HD1 TYR 49 1HD TYR 49 -8.231 2.294 8.426 363 HD2 TYR 49 2HD TYR 49 -4.067 1.429 8.566 364 HE1 TYR 49 1HE TYR 49 -7.736 4.702 8.375 365 HE2 TYR 49 2HE TYR 49 -3.560 3.836 8.516 366 HH TYR 49 HH TYR 49 -4.461 5.913 8.775 367 H GLU 50 H GLU 50 -9.347 -0.464 8.482 368 HA GLU 50 HA GLU 50 -11.102 0.656 6.610 369 HB2 GLU 50 1HB GLU 50 -11.222 0.032 9.515 370 HB3 GLU 50 2HB GLU 50 -12.446 1.118 8.872 371 HG2 GLU 50 1HG GLU 50 -13.435 -0.504 7.622 372 HG3 GLU 50 2HG GLU 50 -11.940 -1.414 7.415 373 H LYS 51 H LYS 51 -11.020 2.652 5.833 374 HA LYS 51 HA LYS 51 -9.644 4.811 6.835 375 HB2 LYS 51 1HB LYS 51 -10.403 4.960 4.610 376 HB3 LYS 51 2HB LYS 51 -12.072 4.643 5.067 377 HG2 LYS 51 1HG LYS 51 -11.909 6.939 4.493 378 HG3 LYS 51 2HG LYS 51 -12.082 6.845 6.247 379 HD2 LYS 51 1HD LYS 51 -9.542 6.966 6.348 380 HD3 LYS 51 2HD LYS 51 -9.603 7.424 4.644 381 HE2 LYS 51 1HE LYS 51 -9.495 9.415 5.990 382 HE3 LYS 51 2HE LYS 51 -11.093 9.307 5.252 383 HZ1 LYS 51 1HZ LYS 51 -12.057 8.685 7.273 384 HZ2 LYS 51 2HZ LYS 51 -10.991 9.931 7.688 385 HZ3 LYS 51 3HZ LYS 51 -10.568 8.321 7.991 386 H ASP 52 H ASP 52 -13.126 4.164 7.233 387 HA ASP 52 HA ASP 52 -13.544 6.350 9.004 388 HB2 ASP 52 1HB ASP 52 -15.294 5.155 7.582 389 HB3 ASP 52 2HB ASP 52 -15.282 3.892 8.810 390 H LYS 53 H LYS 53 -13.012 2.883 9.475 391 HA LYS 53 HA LYS 53 -12.899 3.314 12.377 392 HB2 LYS 53 1HB LYS 53 -12.870 0.662 10.938 393 HB3 LYS 53 2HB LYS 53 -13.204 0.961 12.639 394 HG2 LYS 53 1HG LYS 53 -14.964 2.151 10.540 395 HG3 LYS 53 2HG LYS 53 -15.156 0.461 11.013 396 HD2 LYS 53 1HD LYS 53 -15.804 1.002 13.167 397 HD3 LYS 53 2HD LYS 53 -15.025 2.585 13.113 398 HE2 LYS 53 1HE LYS 53 -17.262 2.060 11.228 399 HE3 LYS 53 2HE LYS 53 -17.654 2.304 12.930 400 HZ1 LYS 53 1HZ LYS 53 -17.311 4.473 12.731 401 HZ2 LYS 53 2HZ LYS 53 -17.210 4.257 11.057 402 HZ3 LYS 53 3HZ LYS 53 -15.803 4.255 11.996 403 H GLU 54 H GLU 54 -10.910 3.926 12.976 404 HA GLU 54 HA GLU 54 -8.578 2.715 11.696 405 HB2 GLU 54 1HB GLU 54 -9.024 5.142 13.388 406 HB3 GLU 54 2HB GLU 54 -7.416 4.435 13.309 407 HG2 GLU 54 1HG GLU 54 -7.554 4.621 10.818 408 HG3 GLU 54 2HG GLU 54 -9.045 5.536 11.036 409 H MET 55 H MET 55 -6.869 1.788 12.932 410 HA MET 55 HA MET 55 -5.990 0.418 14.519 411 HB2 MET 55 1HB MET 55 -7.659 2.298 16.103 412 HB3 MET 55 2HB MET 55 -7.114 0.835 16.913 413 HG2 MET 55 1HG MET 55 -5.287 2.765 15.505 414 HG3 MET 55 2HG MET 55 -5.639 2.807 17.231 415 HE1 MET 55 1HE MET 55 -2.326 0.673 15.289 416 HE2 MET 55 2HE MET 55 -3.815 0.598 14.346 417 HE3 MET 55 3HE MET 55 -3.196 2.156 14.894 418 H GLN 56 H GLN 56 -8.291 -0.419 12.961 419 HA GLN 56 HA GLN 56 -9.746 -2.156 14.814 420 HB2 GLN 56 1HB GLN 56 -10.244 -1.116 12.076 421 HB3 GLN 56 2HB GLN 56 -10.883 -2.711 12.452 422 HG2 GLN 56 1HG GLN 56 -11.438 -0.200 14.016 423 HG3 GLN 56 2HG GLN 56 -12.518 -0.929 12.829 424 HE21 GLN 56 1HE2 GLN 56 -13.500 -0.518 15.272 425 HE22 GLN 56 2HE2 GLN 56 -13.659 -2.003 16.141 426 H SER 57 H SER 57 -8.452 -2.596 11.520 427 HA SER 57 HA SER 57 -6.877 -4.868 12.344 428 HB2 SER 57 1HB SER 57 -8.013 -6.458 10.805 429 HB3 SER 57 2HB SER 57 -9.048 -5.946 12.138 430 HG SER 57 HG SER 57 -9.447 -4.220 10.211 431 H TYR 58 H TYR 58 -5.051 -4.168 11.406 432 HA TYR 58 HA TYR 58 -5.153 -3.244 8.622 433 HB2 TYR 58 1HB TYR 58 -3.254 -1.996 9.021 434 HB3 TYR 58 2HB TYR 58 -3.995 -1.973 10.617 435 HD1 TYR 58 1HD TYR 58 -1.323 -3.494 8.575 436 HD2 TYR 58 2HD TYR 58 -2.936 -3.015 12.483 437 HE1 TYR 58 1HE TYR 58 0.732 -4.447 9.533 438 HE2 TYR 58 2HE TYR 58 -0.885 -3.965 13.452 439 HH TYR 58 HH TYR 58 0.970 -5.546 12.645 440 H SER 59 H SER 59 -3.918 -4.176 7.019 441 HA SER 59 HA SER 59 -2.548 -6.688 7.720 442 HB2 SER 59 1HB SER 59 -4.400 -6.142 5.395 443 HB3 SER 59 2HB SER 59 -3.330 -7.543 5.467 444 HG SER 59 HG SER 59 -4.427 -8.271 7.259 445 H THR 60 H THR 60 -0.612 -7.074 6.757 446 HA THR 60 HA THR 60 0.470 -4.900 5.103 447 HB THR 60 HB THR 60 2.709 -5.959 5.701 448 HG1 THR 60 1HG THR 60 1.834 -7.967 6.447 449 HG21 THR 60 1HG2 THR 60 2.633 -4.121 6.979 450 HG22 THR 60 2HG2 THR 60 2.133 -5.189 8.291 451 HG23 THR 60 3HG2 THR 60 0.920 -4.342 7.332 452 H LEU 61 H LEU 61 0.933 -5.241 3.029 453 HA LEU 61 HA LEU 61 0.975 -8.019 2.055 454 HB2 LEU 61 1HB LEU 61 -0.824 -6.361 1.273 455 HB3 LEU 61 2HB LEU 61 0.471 -5.605 0.347 456 HG LEU 61 HG LEU 61 0.820 -7.895 -0.721 457 HD11 LEU 61 1HD1 LEU 61 -1.811 -8.335 0.667 458 HD12 LEU 61 2HD1 LEU 61 -0.355 -9.326 0.744 459 HD13 LEU 61 3HD1 LEU 61 -1.301 -9.265 -0.743 460 HD21 LEU 61 1HD2 LEU 61 -0.520 -5.777 -1.555 461 HD22 LEU 61 2HD2 LEU 61 -1.889 -6.880 -1.410 462 HD23 LEU 61 3HD2 LEU 61 -0.531 -7.291 -2.460 463 H LYS 62 H LYS 62 2.803 -8.774 1.215 464 HA LYS 62 HA LYS 62 5.033 -6.930 0.822 465 HB2 LYS 62 1HB LYS 62 4.888 -9.942 0.986 466 HB3 LYS 62 2HB LYS 62 6.368 -9.063 0.626 467 HG2 LYS 62 1HG LYS 62 4.790 -8.475 3.101 468 HG3 LYS 62 2HG LYS 62 5.937 -9.814 3.041 469 HD2 LYS 62 1HD LYS 62 7.754 -8.348 2.592 470 HD3 LYS 62 2HD LYS 62 6.667 -6.988 2.297 471 HE2 LYS 62 1HE LYS 62 7.592 -6.674 4.460 472 HE3 LYS 62 2HE LYS 62 5.925 -7.199 4.690 473 HZ1 LYS 62 1HZ LYS 62 6.893 -8.624 6.115 474 HZ2 LYS 62 2HZ LYS 62 8.404 -8.554 5.359 475 HZ3 LYS 62 3HZ LYS 62 7.184 -9.538 4.721 476 H ALA 63 H ALA 63 5.659 -6.284 -1.127 477 HA ALA 63 HA ALA 63 4.989 -7.950 -3.458 478 HB1 ALA 63 1HB ALA 63 3.372 -6.261 -3.594 479 HB2 ALA 63 2HB ALA 63 4.512 -5.008 -3.101 480 HB3 ALA 63 3HB ALA 63 4.648 -5.744 -4.698 481 H VAL 64 H VAL 64 6.666 -8.355 -4.748 482 HA VAL 64 HA VAL 64 9.245 -7.242 -4.145 483 HB VAL 64 HB VAL 64 10.065 -8.686 -5.973 484 HG11 VAL 64 1HG1 VAL 64 10.205 -10.185 -4.342 485 HG12 VAL 64 2HG1 VAL 64 8.773 -9.516 -3.556 486 HG13 VAL 64 3HG1 VAL 64 8.601 -10.772 -4.783 487 HG21 VAL 64 1HG2 VAL 64 8.051 -8.484 -7.405 488 HG22 VAL 64 2HG2 VAL 64 8.576 -10.152 -7.174 489 HG23 VAL 64 3HG2 VAL 64 7.187 -9.534 -6.281 490 H THR 65 H THR 65 6.847 -6.879 -6.688 491 HA THR 65 HA THR 65 8.588 -5.002 -8.113 492 HB THR 65 HB THR 65 7.560 -6.647 -9.545 493 HG1 THR 65 1HG THR 65 6.569 -4.003 -9.728 494 HG21 THR 65 1HG2 THR 65 5.130 -6.841 -9.772 495 HG22 THR 65 2HG2 THR 65 4.910 -5.656 -8.484 496 HG23 THR 65 3HG2 THR 65 5.644 -7.220 -8.129 497 H THR 66 H THR 66 7.733 -2.940 -8.813 498 HA THR 66 HA THR 66 6.582 -1.456 -6.731 499 HB THR 66 HB THR 66 6.244 0.318 -8.548 500 HG1 THR 66 1HG THR 66 7.480 -0.220 -10.492 501 HG21 THR 66 1HG2 THR 66 8.328 1.023 -8.090 502 HG22 THR 66 2HG2 THR 66 9.066 -0.430 -8.766 503 HG23 THR 66 3HG2 THR 66 8.450 -0.440 -7.114 504 H ARG 67 H ARG 67 5.091 -3.665 -8.649 505 HA ARG 67 HA ARG 67 2.510 -2.249 -8.583 506 HB2 ARG 67 1HB ARG 67 3.555 -4.441 -10.362 507 HB3 ARG 67 2HB ARG 67 1.833 -4.115 -10.219 508 HG2 ARG 67 1HG ARG 67 2.224 -2.773 -11.977 509 HG3 ARG 67 2HG ARG 67 2.727 -1.634 -10.727 510 HD2 ARG 67 1HD ARG 67 5.039 -2.915 -11.065 511 HD3 ARG 67 2HD ARG 67 4.353 -3.177 -12.668 512 HE ARG 67 HE ARG 67 4.257 -0.444 -11.749 513 HH11 ARG 67 2HH1 ARG 67 6.091 -2.862 -13.455 514 HH12 ARG 67 1HH1 ARG 67 7.022 -1.709 -14.353 515 HH21 ARG 67 2HH2 ARG 67 5.476 1.083 -12.925 516 HH22 ARG 67 1HH2 ARG 67 6.672 0.535 -14.050 517 H ALA 68 H ALA 68 0.976 -2.956 -7.247 518 HA ALA 68 HA ALA 68 0.906 -5.737 -6.404 519 HB1 ALA 68 1HB ALA 68 0.890 -5.207 -4.023 520 HB2 ALA 68 2HB ALA 68 2.407 -4.707 -4.773 521 HB3 ALA 68 3HB ALA 68 1.173 -3.506 -4.392 522 H THR 69 H THR 69 -1.094 -6.369 -5.497 523 HA THR 69 HA THR 69 -3.248 -4.371 -5.698 524 HB THR 69 HB THR 69 -3.342 -7.215 -6.721 525 HG1 THR 69 1HG THR 69 -4.076 -5.332 -8.488 526 HG21 THR 69 1HG2 THR 69 -5.637 -6.148 -7.586 527 HG22 THR 69 2HG2 THR 69 -5.463 -5.244 -6.081 528 HG23 THR 69 3HG2 THR 69 -5.508 -7.006 -6.051 529 H VAL 70 H VAL 70 -4.309 -4.177 -3.847 530 HA VAL 70 HA VAL 70 -4.009 -6.153 -1.759 531 HB VAL 70 HB VAL 70 -5.553 -3.557 -1.800 532 HG11 VAL 70 1HG1 VAL 70 -5.900 -3.792 0.522 533 HG12 VAL 70 2HG1 VAL 70 -6.360 -5.340 -0.188 534 HG13 VAL 70 3HG1 VAL 70 -4.804 -5.169 0.625 535 HG21 VAL 70 1HG2 VAL 70 -3.334 -3.582 -0.010 536 HG22 VAL 70 2HG2 VAL 70 -2.783 -4.088 -1.607 537 HG23 VAL 70 3HG2 VAL 70 -3.615 -2.545 -1.409 538 H SER 71 H SER 71 -5.257 -7.896 -1.706 539 HA SER 71 HA SER 71 -8.045 -7.663 -2.628 540 HB2 SER 71 1HB SER 71 -7.985 -9.914 -3.329 541 HB3 SER 71 2HB SER 71 -6.424 -9.263 -3.829 542 HG SER 71 HG SER 71 -5.801 -11.025 -2.794 543 H GLY 72 H GLY 72 -9.617 -9.068 -1.508 544 HA2 GLY 72 1HA GLY 72 -10.490 -10.117 0.380 545 HA3 GLY 72 2HA GLY 72 -8.919 -9.974 1.155 546 H LEU 73 H LEU 73 -10.859 -7.388 -0.280 547 HA LEU 73 HA LEU 73 -10.926 -6.102 2.365 548 HB2 LEU 73 1HB LEU 73 -11.275 -4.812 -0.335 549 HB3 LEU 73 2HB LEU 73 -11.112 -3.994 1.218 550 HG LEU 73 HG LEU 73 -8.928 -5.673 0.000 551 HD11 LEU 73 1HD1 LEU 73 -8.088 -3.099 -0.227 552 HD12 LEU 73 2HD1 LEU 73 -9.800 -2.946 -0.619 553 HD13 LEU 73 3HD1 LEU 73 -8.781 -4.052 -1.539 554 HD21 LEU 73 1HD2 LEU 73 -7.576 -4.157 1.556 555 HD22 LEU 73 2HD2 LEU 73 -8.531 -5.444 2.294 556 HD23 LEU 73 3HD2 LEU 73 -9.120 -3.781 2.322 557 H LYS 74 H LYS 74 -12.845 -4.582 2.642 558 HA LYS 74 HA LYS 74 -15.263 -6.104 2.058 559 HB2 LYS 74 1HB LYS 74 -14.495 -4.019 4.047 560 HB3 LYS 74 2HB LYS 74 -16.193 -4.159 3.612 561 HG2 LYS 74 1HG LYS 74 -16.347 -6.337 4.448 562 HG3 LYS 74 2HG LYS 74 -14.594 -6.540 4.485 563 HD2 LYS 74 1HD LYS 74 -15.820 -4.378 6.129 564 HD3 LYS 74 2HD LYS 74 -15.961 -6.048 6.684 565 HE2 LYS 74 1HE LYS 74 -13.425 -6.175 6.289 566 HE3 LYS 74 2HE LYS 74 -13.484 -4.414 6.235 567 HZ1 LYS 74 1HZ LYS 74 -12.962 -5.161 8.450 568 HZ2 LYS 74 2HZ LYS 74 -14.350 -6.128 8.501 569 HZ3 LYS 74 3HZ LYS 74 -14.494 -4.443 8.451 570 HA PRO 75 HA PRO 75 -16.467 -3.389 -1.213 571 HB2 PRO 75 1HB PRO 75 -19.076 -4.127 -1.355 572 HB3 PRO 75 2HB PRO 75 -17.758 -5.133 -1.968 573 HG2 PRO 75 1HG PRO 75 -19.243 -5.328 0.624 574 HG3 PRO 75 2HG PRO 75 -18.749 -6.623 -0.482 575 HD2 PRO 75 1HD PRO 75 -17.379 -6.037 1.779 576 HD3 PRO 75 2HD PRO 75 -16.586 -6.649 0.314 577 H GLY 76 H GLY 76 -17.417 -1.402 -1.454 578 HA2 GLY 76 1HA GLY 76 -18.357 0.594 -0.821 579 HA3 GLY 76 2HA GLY 76 -19.564 -0.379 0.006 580 H THR 77 H THR 77 -16.082 0.119 0.559 581 HA THR 77 HA THR 77 -16.633 1.472 3.068 582 HB THR 77 HB THR 77 -15.103 -1.137 3.029 583 HG1 THR 77 1HG THR 77 -17.225 -1.673 3.113 584 HG21 THR 77 1HG2 THR 77 -15.515 -0.507 5.645 585 HG22 THR 77 2HG2 THR 77 -15.247 1.089 4.943 586 HG23 THR 77 3HG2 THR 77 -14.028 -0.172 4.759 587 H ARG 78 H ARG 78 -15.360 3.196 2.925 588 HA ARG 78 HA ARG 78 -13.158 3.509 1.271 589 HB2 ARG 78 1HB ARG 78 -14.241 4.951 3.628 590 HB3 ARG 78 2HB ARG 78 -12.573 5.297 3.190 591 HG2 ARG 78 1HG ARG 78 -13.544 5.624 0.803 592 HG3 ARG 78 2HG ARG 78 -15.078 5.813 1.655 593 HD2 ARG 78 1HD ARG 78 -13.832 7.510 3.118 594 HD3 ARG 78 2HD ARG 78 -12.593 7.483 1.864 595 HE ARG 78 HE ARG 78 -14.728 8.000 0.397 596 HH11 ARG 78 2HH1 ARG 78 -13.785 9.320 3.477 597 HH12 ARG 78 1HH1 ARG 78 -14.552 10.849 3.203 598 HH21 ARG 78 2HH2 ARG 78 -15.742 10.009 0.025 599 HH22 ARG 78 1HH2 ARG 78 -15.666 11.240 1.240 600 H TYR 79 H TYR 79 -11.004 3.155 1.444 601 HA TYR 79 HA TYR 79 -10.004 2.011 3.964 602 HB2 TYR 79 1HB TYR 79 -9.858 0.906 1.201 603 HB3 TYR 79 2HB TYR 79 -8.461 0.681 2.248 604 HD1 TYR 79 2HD TYR 79 -8.957 -0.313 4.609 605 HD2 TYR 79 1HD TYR 79 -11.613 -0.610 1.298 606 HE1 TYR 79 2HE TYR 79 -10.059 -2.238 5.672 607 HE2 TYR 79 1HE TYR 79 -12.723 -2.535 2.353 608 HH TYR 79 HH TYR 79 -11.501 -3.946 5.345 609 H VAL 80 H VAL 80 -7.779 2.341 4.396 610 HA VAL 80 HA VAL 80 -6.608 4.582 2.882 611 HB VAL 80 HB VAL 80 -6.135 3.847 5.775 612 HG11 VAL 80 1HG1 VAL 80 -5.287 6.367 4.375 613 HG12 VAL 80 2HG1 VAL 80 -4.763 5.750 5.943 614 HG13 VAL 80 3HG1 VAL 80 -4.250 4.944 4.460 615 HG21 VAL 80 1HG2 VAL 80 -7.440 5.769 6.355 616 HG22 VAL 80 2HG2 VAL 80 -7.622 6.221 4.660 617 HG23 VAL 80 3HG2 VAL 80 -8.402 4.762 5.272 618 H PHE 81 H PHE 81 -5.163 3.744 1.504 619 HA PHE 81 HA PHE 81 -3.532 1.465 2.267 620 HB2 PHE 81 1HB PHE 81 -3.713 3.051 -0.302 621 HB3 PHE 81 2HB PHE 81 -2.654 1.663 -0.071 622 HD1 PHE 81 1HD PHE 81 -3.607 -0.584 0.234 623 HD2 PHE 81 2HD PHE 81 -6.046 2.784 -0.673 624 HE1 PHE 81 1HE PHE 81 -5.436 -2.091 -0.428 625 HE2 PHE 81 2HE PHE 81 -7.879 1.283 -1.335 626 HZ PHE 81 HZ PHE 81 -7.576 -1.158 -1.212 627 H GLN 82 H GLN 82 -1.272 1.471 2.361 628 HA GLN 82 HA GLN 82 0.129 4.016 2.215 629 HB2 GLN 82 1HB GLN 82 -0.120 2.396 4.746 630 HB3 GLN 82 2HB GLN 82 1.163 3.571 4.492 631 HG2 GLN 82 1HG GLN 82 -1.727 4.317 4.228 632 HG3 GLN 82 2HG GLN 82 -0.905 4.312 5.787 633 HE21 GLN 82 1HE2 GLN 82 0.273 6.027 6.345 634 HE22 GLN 82 2HE2 GLN 82 0.647 7.358 5.308 635 H VAL 83 H VAL 83 1.647 3.459 0.781 636 HA VAL 83 HA VAL 83 2.932 0.844 0.952 637 HB VAL 83 HB VAL 83 3.270 3.027 -1.110 638 HG11 VAL 83 1HG1 VAL 83 4.550 1.532 -2.381 639 HG12 VAL 83 2HG1 VAL 83 5.174 1.362 -0.740 640 HG13 VAL 83 3HG1 VAL 83 4.074 0.149 -1.396 641 HG21 VAL 83 1HG2 VAL 83 2.037 0.650 -2.104 642 HG22 VAL 83 2HG2 VAL 83 1.139 1.223 -0.698 643 HG23 VAL 83 3HG2 VAL 83 1.405 2.296 -2.072 644 H ARG 84 H ARG 84 5.120 0.539 1.279 645 HA ARG 84 HA ARG 84 6.853 2.821 1.728 646 HB2 ARG 84 1HB ARG 84 7.457 2.221 3.990 647 HB3 ARG 84 2HB ARG 84 5.719 2.478 3.907 648 HG2 ARG 84 1HG ARG 84 5.258 0.188 4.070 649 HG3 ARG 84 2HG ARG 84 6.923 -0.259 3.692 650 HD2 ARG 84 1HD ARG 84 7.400 1.162 5.879 651 HD3 ARG 84 2HD ARG 84 5.737 0.702 6.241 652 HE ARG 84 HE ARG 84 6.472 -1.414 6.671 653 HH11 ARG 84 2HH1 ARG 84 8.870 0.233 4.759 654 HH12 ARG 84 1HH1 ARG 84 10.027 -1.053 4.866 655 HH21 ARG 84 2HH2 ARG 84 7.987 -3.113 6.820 656 HH22 ARG 84 1HH2 ARG 84 9.523 -2.956 6.037 657 H ALA 85 H ALA 85 9.100 2.220 1.957 658 HA ALA 85 HA ALA 85 9.672 -0.304 0.585 659 HB1 ALA 85 1HB ALA 85 11.425 2.110 1.030 660 HB2 ALA 85 2HB ALA 85 11.867 0.674 0.105 661 HB3 ALA 85 3HB ALA 85 10.554 1.712 -0.451 662 H ARG 86 H ARG 86 11.221 -1.766 1.341 663 HA ARG 86 HA ARG 86 12.101 -1.385 4.123 664 HB2 ARG 86 1HB ARG 86 10.224 -2.890 4.216 665 HB3 ARG 86 2HB ARG 86 10.879 -3.863 2.906 666 HG2 ARG 86 1HG ARG 86 12.892 -4.186 4.530 667 HG3 ARG 86 2HG ARG 86 11.716 -3.720 5.761 668 HD2 ARG 86 1HD ARG 86 10.368 -5.570 5.350 669 HD3 ARG 86 2HD ARG 86 11.061 -5.839 3.751 670 HE ARG 86 HE ARG 86 13.169 -6.294 5.322 671 HH11 ARG 86 2HH1 ARG 86 9.873 -7.395 5.540 672 HH12 ARG 86 1HH1 ARG 86 10.286 -8.886 6.319 673 HH21 ARG 86 2HH2 ARG 86 13.725 -8.254 6.347 674 HH22 ARG 86 1HH2 ARG 86 12.477 -9.374 6.778 675 H THR 87 H THR 87 14.243 -1.304 4.117 676 HA THR 87 HA THR 87 15.730 -2.884 2.137 677 HB THR 87 HB THR 87 17.673 -1.433 2.779 678 HG1 THR 87 1HG THR 87 16.924 -0.744 4.822 679 HG21 THR 87 1HG2 THR 87 15.887 -0.994 0.909 680 HG22 THR 87 2HG2 THR 87 17.086 0.238 1.301 681 HG23 THR 87 3HG2 THR 87 15.446 0.370 1.936 682 H SER 88 H SER 88 17.821 -3.809 2.874 683 HA SER 88 HA SER 88 17.495 -5.668 4.886 684 HB2 SER 88 1HB SER 88 19.889 -6.079 4.728 685 HB3 SER 88 2HB SER 88 19.237 -5.780 3.117 686 HG SER 88 HG SER 88 20.345 -3.975 2.992 687 H ALA 89 H ALA 89 19.082 -2.503 5.061 688 HA ALA 89 HA ALA 89 20.098 -2.593 7.621 689 HB1 ALA 89 1HB ALA 89 19.163 -0.005 7.406 690 HB2 ALA 89 2HB ALA 89 20.727 -0.600 6.847 691 HB3 ALA 89 3HB ALA 89 19.365 -0.517 5.730 692 H GLY 90 H GLY 90 16.914 -1.235 6.725 693 HA2 GLY 90 1HA GLY 90 15.627 -2.448 8.977 694 HA3 GLY 90 2HA GLY 90 15.922 -0.735 9.235 695 H CYS 91 H CYS 91 13.964 0.177 9.078 696 HA CYS 91 HA CYS 91 12.527 -0.167 6.543 697 HB2 CYS 91 1HB CYS 91 11.261 -0.177 9.291 698 HB3 CYS 91 2HB CYS 91 10.373 -0.129 7.773 699 HG CYS 91 HG CYS 91 12.372 -2.709 8.807 700 H GLY 92 H GLY 92 11.368 1.641 5.827 701 HA2 GLY 92 1HA GLY 92 12.294 4.153 7.008 702 HA3 GLY 92 2HA GLY 92 11.589 3.957 5.410 703 H ARG 93 H ARG 93 10.073 5.578 5.640 704 HA ARG 93 HA ARG 93 8.061 5.200 7.752 705 HB2 ARG 93 1HB ARG 93 9.019 7.606 6.246 706 HB3 ARG 93 2HB ARG 93 7.400 7.597 6.934 707 HG2 ARG 93 1HG ARG 93 8.489 6.999 9.139 708 HG3 ARG 93 2HG ARG 93 10.028 7.393 8.369 709 HD2 ARG 93 1HD ARG 93 7.745 9.329 8.299 710 HD3 ARG 93 2HD ARG 93 8.780 9.217 9.722 711 HE ARG 93 HE ARG 93 10.438 9.470 7.504 712 HH11 ARG 93 2HH1 ARG 93 8.021 11.334 9.178 713 HH12 ARG 93 1HH1 ARG 93 8.709 12.862 8.741 714 HH21 ARG 93 2HH2 ARG 93 11.354 11.477 6.922 715 HH22 ARG 93 1HH2 ARG 93 10.604 12.943 7.457 716 H PHE 94 H PHE 94 5.812 5.541 7.186 717 HA PHE 94 HA PHE 94 5.133 4.204 4.740 718 HB2 PHE 94 1HB PHE 94 3.670 5.148 7.150 719 HB3 PHE 94 2HB PHE 94 2.734 4.949 5.672 720 HD1 PHE 94 1HD PHE 94 3.279 2.650 4.404 721 HD2 PHE 94 2HD PHE 94 3.755 3.361 8.573 722 HE1 PHE 94 1HE PHE 94 3.116 0.233 4.831 723 HE2 PHE 94 2HE PHE 94 3.594 0.944 9.007 724 HZ PHE 94 HZ PHE 94 3.275 -0.623 7.135 725 H SER 95 H SER 95 4.097 5.014 2.951 726 HA SER 95 HA SER 95 4.657 7.652 2.188 727 HB2 SER 95 1HB SER 95 3.141 7.176 0.252 728 HB3 SER 95 2HB SER 95 4.368 5.936 0.512 729 HG SER 95 HG SER 95 2.714 4.762 1.681 730 H GLN 96 H GLN 96 2.788 9.070 1.234 731 HA GLN 96 HA GLN 96 1.372 10.154 3.384 732 HB2 GLN 96 1HB GLN 96 1.250 10.500 0.417 733 HB3 GLN 96 2HB GLN 96 -0.004 11.225 1.413 734 HG2 GLN 96 1HG GLN 96 1.673 12.469 2.653 735 HG3 GLN 96 2HG GLN 96 2.952 11.715 1.702 736 HE21 GLN 96 1HE2 GLN 96 3.647 12.795 0.004 737 HE22 GLN 96 2HE2 GLN 96 2.802 14.062 -0.811 738 H ALA 97 H ALA 97 -0.669 9.919 4.153 739 HA ALA 97 HA ALA 97 -2.011 7.491 3.820 740 HB1 ALA 97 1HB ALA 97 -3.966 9.079 4.803 741 HB2 ALA 97 2HB ALA 97 -2.680 8.369 5.779 742 HB3 ALA 97 3HB ALA 97 -2.536 10.030 5.204 743 H MET 98 H MET 98 -3.004 6.791 2.050 744 HA MET 98 HA MET 98 -4.317 8.730 0.284 745 HB2 MET 98 1HB MET 98 -2.675 7.277 -0.784 746 HB3 MET 98 2HB MET 98 -3.523 5.853 -0.195 747 HG2 MET 98 1HG MET 98 -5.266 6.110 -1.684 748 HG3 MET 98 2HG MET 98 -4.947 7.827 -1.919 749 HE1 MET 98 1HE MET 98 -4.407 5.429 -5.226 750 HE2 MET 98 2HE MET 98 -4.727 4.477 -3.777 751 HE3 MET 98 3HE MET 98 -5.688 5.917 -4.116 752 H GLU 99 H GLU 99 -6.455 8.488 -0.368 753 HA GLU 99 HA GLU 99 -8.050 6.630 1.272 754 HB2 GLU 99 1HB GLU 99 -8.800 9.359 0.211 755 HB3 GLU 99 2HB GLU 99 -9.898 8.277 1.058 756 HG2 GLU 99 1HG GLU 99 -8.766 8.522 3.084 757 HG3 GLU 99 2HG GLU 99 -7.332 9.187 2.305 758 H VAL 100 H VAL 100 -9.141 5.120 0.211 759 HA VAL 100 HA VAL 100 -10.030 5.640 -2.533 760 HB VAL 100 HB VAL 100 -8.515 3.169 -1.681 761 HG11 VAL 100 1HG1 VAL 100 -8.802 2.410 -3.984 762 HG12 VAL 100 2HG1 VAL 100 -10.362 2.622 -3.186 763 HG13 VAL 100 3HG1 VAL 100 -9.787 3.830 -4.336 764 HG21 VAL 100 1HG2 VAL 100 -7.566 5.619 -2.593 765 HG22 VAL 100 2HG2 VAL 100 -6.681 4.094 -2.544 766 HG23 VAL 100 3HG2 VAL 100 -7.535 4.571 -4.012 767 H GLU 101 H GLU 101 -11.960 4.718 -3.071 768 HA GLU 101 HA GLU 101 -13.311 3.208 -0.935 769 HB2 GLU 101 1HB GLU 101 -14.151 5.537 -1.800 770 HB3 GLU 101 2HB GLU 101 -14.793 4.594 -3.137 771 HG2 GLU 101 1HG GLU 101 -15.793 3.127 -1.210 772 HG3 GLU 101 2HG GLU 101 -15.582 4.604 -0.271 773 H THR 102 H THR 102 -14.043 1.213 -1.336 774 HA THR 102 HA THR 102 -13.400 -0.032 -3.849 775 HB THR 102 HB THR 102 -14.461 -2.071 -2.763 776 HG1 THR 102 1HG THR 102 -14.664 -1.779 -0.407 777 HG21 THR 102 1HG2 THR 102 -12.527 -1.569 -0.761 778 HG22 THR 102 2HG2 THR 102 -11.986 -0.746 -2.225 779 HG23 THR 102 3HG2 THR 102 -12.329 -2.475 -2.260 780 H GLY 103 H GLY 103 -15.184 -1.699 -4.637 781 HA2 GLY 103 1HA GLY 103 -17.387 -0.047 -5.538 782 HA3 GLY 103 2HA GLY 103 -17.008 -1.673 -6.085 783 H LYS 104 H LYS 104 -19.313 0.052 -4.614 784 HA LYS 104 HA LYS 104 -20.037 -1.447 -2.354 785 HB2 LYS 104 1HB LYS 104 -21.716 0.181 -4.268 786 HB3 LYS 104 2HB LYS 104 -22.333 -0.503 -2.770 787 HG2 LYS 104 1HG LYS 104 -20.333 0.786 -1.696 788 HG3 LYS 104 2HG LYS 104 -20.411 1.736 -3.182 789 HD2 LYS 104 1HD LYS 104 -22.477 2.602 -2.680 790 HD3 LYS 104 2HD LYS 104 -22.935 1.217 -1.687 791 HE2 LYS 104 1HE LYS 104 -21.397 1.956 0.060 792 HE3 LYS 104 2HE LYS 104 -20.913 3.327 -0.937 793 HZ1 LYS 104 1HZ LYS 104 -22.552 3.954 0.732 794 HZ2 LYS 104 2HZ LYS 104 -23.655 2.840 0.096 795 HZ3 LYS 104 3HZ LYS 104 -23.166 4.169 -0.830 796 HA PRO 105 HA PRO 105 -21.675 -5.197 -3.948 797 HB2 PRO 105 1HB PRO 105 -23.631 -5.712 -2.138 798 HB3 PRO 105 2HB PRO 105 -21.911 -5.876 -1.766 799 HG2 PRO 105 1HG PRO 105 -23.780 -3.625 -1.130 800 HG3 PRO 105 2HG PRO 105 -22.543 -4.376 -0.105 801 HD2 PRO 105 1HD PRO 105 -22.140 -2.028 -1.391 802 HD3 PRO 105 2HD PRO 105 -20.829 -3.185 -1.083 803 H SER 106 H SER 106 -23.508 -6.154 -4.968 804 HA SER 106 HA SER 106 -25.303 -6.129 -6.367 805 HB2 SER 106 1HB SER 106 -26.288 -4.226 -4.236 806 HB3 SER 106 2HB SER 106 -27.300 -4.799 -5.561 807 HG SER 106 HG SER 106 -27.651 -6.194 -3.904 808 H GLY 107 H GLY 107 -23.195 -4.549 -7.196 809 HA2 GLY 107 1HA GLY 107 -24.542 -2.177 -8.329 810 HA3 GLY 107 2HA GLY 107 -22.812 -2.285 -8.040 811 HA PRO 108 HA PRO 108 -23.510 -3.186 -12.512 812 HB2 PRO 108 1HB PRO 108 -21.380 -1.733 -13.363 813 HB3 PRO 108 2HB PRO 108 -22.973 -1.023 -13.071 814 HG2 PRO 108 1HG PRO 108 -20.550 -1.031 -11.312 815 HG3 PRO 108 2HG PRO 108 -21.676 0.294 -11.660 816 HD2 PRO 108 1HD PRO 108 -21.802 -1.164 -9.382 817 HD3 PRO 108 2HD PRO 108 -23.244 -0.475 -10.156 818 H SER 109 H SER 109 -22.914 -5.370 -12.081 819 HA SER 109 HA SER 109 -20.050 -5.957 -11.958 820 HB2 SER 109 1HB SER 109 -21.596 -7.098 -10.371 821 HB3 SER 109 2HB SER 109 -22.394 -7.862 -11.746 822 HG SER 109 HG SER 109 -20.454 -8.888 -10.495 823 H SER 110 H SER 110 -22.917 -6.743 -13.897 824 HA SER 110 HA SER 110 -21.113 -7.410 -16.127 825 HB2 SER 110 1HB SER 110 -23.685 -8.795 -15.341 826 HB3 SER 110 2HB SER 110 -22.852 -9.062 -16.872 827 HG SER 110 HG SER 110 -21.445 -10.270 -15.881 828 H GLY 111 H GLY 111 -21.694 -6.690 -18.154 829 HA2 GLY 111 1HA GLY 111 -24.082 -4.950 -18.256 830 HA3 GLY 111 2HA GLY 111 -22.550 -4.494 -18.988 Start of MODEL 12 1 H1 GLY 1 H GLY 1 24.198 16.962 17.075 2 HA2 GLY 1 1HA GLY 1 24.776 17.198 14.200 3 HA3 GLY 1 2HA GLY 1 25.902 16.629 15.422 4 H SER 2 H SER 2 26.264 14.838 13.946 5 HA SER 2 HA SER 2 24.178 12.998 13.334 6 HB2 SER 2 1HB SER 2 25.950 11.551 12.507 7 HB3 SER 2 2HB SER 2 26.261 13.209 11.992 8 HG SER 2 HG SER 2 27.377 12.369 14.407 9 H SER 3 H SER 3 23.227 11.634 14.678 10 HA SER 3 HA SER 3 23.845 11.262 17.339 11 HB2 SER 3 1HB SER 3 21.699 10.623 16.144 12 HB3 SER 3 2HB SER 3 22.522 9.151 15.628 13 HG SER 3 HG SER 3 22.510 8.413 17.644 14 H GLY 4 H GLY 4 24.761 9.218 14.580 15 HA2 GLY 4 1HA GLY 4 26.946 8.214 14.487 16 HA3 GLY 4 2HA GLY 4 26.934 8.127 16.242 17 H SER 5 H SER 5 25.262 6.864 13.373 18 HA SER 5 HA SER 5 24.533 4.468 14.895 19 HB2 SER 5 1HB SER 5 22.929 4.005 13.188 20 HB3 SER 5 2HB SER 5 22.809 5.731 13.527 21 HG SER 5 HG SER 5 24.339 4.614 11.414 22 H SER 6 H SER 6 24.819 2.357 13.887 23 HA SER 6 HA SER 6 27.348 2.246 12.394 24 HB2 SER 6 1HB SER 6 27.280 1.100 14.600 25 HB3 SER 6 2HB SER 6 25.995 0.057 13.990 26 HG SER 6 HG SER 6 27.627 -1.143 13.402 27 H GLY 7 H GLY 7 27.316 1.667 10.328 28 HA2 GLY 7 1HA GLY 7 26.662 -0.031 8.690 29 HA3 GLY 7 2HA GLY 7 25.044 0.040 9.371 30 H GLN 8 H GLN 8 24.024 0.553 7.452 31 HA GLN 8 HA GLN 8 24.811 3.068 6.158 32 HB2 GLN 8 1HB GLN 8 23.265 0.669 5.231 33 HB3 GLN 8 2HB GLN 8 23.092 2.212 4.404 34 HG2 GLN 8 1HG GLN 8 24.717 1.083 3.184 35 HG3 GLN 8 2HG GLN 8 25.634 2.192 4.203 36 HE21 GLN 8 1HE2 GLN 8 27.200 1.386 5.424 37 HE22 GLN 8 2HE2 GLN 8 27.471 -0.292 5.733 38 H ALA 9 H ALA 9 22.912 4.351 5.257 39 HA ALA 9 HA ALA 9 21.143 4.957 7.459 40 HB1 ALA 9 1HB ALA 9 22.358 6.585 5.795 41 HB2 ALA 9 2HB ALA 9 20.914 6.314 4.818 42 HB3 ALA 9 3HB ALA 9 20.766 6.977 6.445 43 H ALA 10 H ALA 10 18.812 5.269 7.132 44 HA ALA 10 HA ALA 10 17.643 2.953 5.913 45 HB1 ALA 10 1HB ALA 10 15.482 4.076 6.684 46 HB2 ALA 10 2HB ALA 10 16.640 3.602 7.927 47 HB3 ALA 10 3HB ALA 10 16.523 5.289 7.428 48 HA PRO 11 HA PRO 11 16.472 4.531 1.988 49 HB2 PRO 11 1HB PRO 11 14.088 3.292 1.599 50 HB3 PRO 11 2HB PRO 11 15.636 2.441 1.526 51 HG2 PRO 11 1HG PRO 11 13.661 2.592 3.770 52 HG3 PRO 11 2HG PRO 11 14.561 1.190 3.165 53 HD2 PRO 11 1HD PRO 11 15.306 2.553 5.383 54 HD3 PRO 11 2HD PRO 11 16.479 1.772 4.304 55 H SER 12 H SER 12 14.927 5.854 0.852 56 HA SER 12 HA SER 12 13.809 7.894 2.485 57 HB2 SER 12 1HB SER 12 14.723 7.986 0.024 58 HB3 SER 12 2HB SER 12 13.061 7.578 -0.402 59 HG SER 12 HG SER 12 14.007 9.949 0.167 60 H GLN 13 H GLN 13 11.478 8.677 1.915 61 HA GLN 13 HA GLN 13 9.698 6.384 2.370 62 HB2 GLN 13 1HB GLN 13 9.741 8.064 4.158 63 HB3 GLN 13 2HB GLN 13 9.283 9.311 3.005 64 HG2 GLN 13 1HG GLN 13 7.216 7.825 2.575 65 HG3 GLN 13 2HG GLN 13 7.645 7.071 4.110 66 HE21 GLN 13 1HE2 GLN 13 6.665 10.041 2.552 67 HE22 GLN 13 2HE2 GLN 13 6.094 10.830 3.979 68 H VAL 14 H VAL 14 8.556 5.743 0.677 69 HA VAL 14 HA VAL 14 8.364 7.012 -1.770 70 HB VAL 14 HB VAL 14 6.419 5.061 -0.531 71 HG11 VAL 14 1HG1 VAL 14 5.114 5.633 -2.266 72 HG12 VAL 14 2HG1 VAL 14 6.433 6.436 -3.121 73 HG13 VAL 14 3HG1 VAL 14 6.253 4.684 -3.221 74 HG21 VAL 14 1HG2 VAL 14 9.080 4.776 -1.503 75 HG22 VAL 14 2HG2 VAL 14 7.996 3.535 -0.875 76 HG23 VAL 14 3HG2 VAL 14 7.988 3.924 -2.595 77 H VAL 15 H VAL 15 7.388 8.815 -2.385 78 HA VAL 15 HA VAL 15 4.988 9.693 -0.913 79 HB VAL 15 HB VAL 15 5.627 12.018 -1.678 80 HG11 VAL 15 1HG1 VAL 15 6.367 10.568 0.551 81 HG12 VAL 15 2HG1 VAL 15 7.876 11.316 0.022 82 HG13 VAL 15 3HG1 VAL 15 6.466 12.319 0.366 83 HG21 VAL 15 1HG2 VAL 15 8.073 12.323 -2.146 84 HG22 VAL 15 2HG2 VAL 15 8.183 10.577 -2.364 85 HG23 VAL 15 3HG2 VAL 15 7.163 11.537 -3.436 86 H VAL 16 H VAL 16 5.480 8.061 -3.472 87 HA VAL 16 HA VAL 16 3.637 9.621 -5.159 88 HB VAL 16 HB VAL 16 5.740 9.708 -6.290 89 HG11 VAL 16 1HG1 VAL 16 5.928 6.709 -6.247 90 HG12 VAL 16 2HG1 VAL 16 7.170 7.885 -6.684 91 HG13 VAL 16 3HG1 VAL 16 6.668 7.715 -5.002 92 HG21 VAL 16 1HG2 VAL 16 5.068 7.784 -8.146 93 HG22 VAL 16 2HG2 VAL 16 3.533 8.135 -7.352 94 HG23 VAL 16 3HG2 VAL 16 4.456 9.438 -8.099 95 H ILE 17 H ILE 17 1.742 8.618 -5.175 96 HA ILE 17 HA ILE 17 1.670 5.735 -5.665 97 HB ILE 17 HB ILE 17 0.284 7.118 -3.376 98 HG12 ILE 17 1HG1 ILE 17 1.838 4.536 -3.361 99 HG13 ILE 17 2HG1 ILE 17 2.631 6.097 -3.178 100 HG21 ILE 17 1HG2 ILE 17 -0.421 4.582 -4.795 101 HG22 ILE 17 2HG2 ILE 17 -0.736 4.754 -3.069 102 HG23 ILE 17 3HG2 ILE 17 -1.476 5.871 -4.215 103 HD11 ILE 17 1HD1 ILE 17 2.177 4.974 -1.036 104 HD12 ILE 17 2HD1 ILE 17 1.380 6.542 -1.172 105 HD13 ILE 17 3HD1 ILE 17 0.450 5.059 -1.384 106 H ARG 18 H ARG 18 -0.180 5.008 -6.730 107 HA ARG 18 HA ARG 18 -2.222 6.971 -7.438 108 HB2 ARG 18 1HB ARG 18 -0.761 5.367 -9.541 109 HB3 ARG 18 2HB ARG 18 -2.026 6.559 -9.810 110 HG2 ARG 18 1HG ARG 18 -0.605 8.344 -9.176 111 HG3 ARG 18 2HG ARG 18 0.618 7.235 -8.553 112 HD2 ARG 18 1HD ARG 18 1.179 6.489 -10.732 113 HD3 ARG 18 2HD ARG 18 -0.233 7.275 -11.438 114 HE ARG 18 HE ARG 18 1.361 9.228 -10.219 115 HH11 ARG 18 2HH1 ARG 18 1.438 7.035 -12.922 116 HH12 ARG 18 1HH1 ARG 18 2.468 8.045 -13.880 117 HH21 ARG 18 2HH2 ARG 18 2.718 10.568 -11.472 118 HH22 ARG 18 1HH2 ARG 18 3.196 10.054 -13.054 119 H GLN 19 H GLN 19 -4.077 5.954 -8.575 120 HA GLN 19 HA GLN 19 -4.443 3.186 -7.642 121 HB2 GLN 19 1HB GLN 19 -5.955 4.619 -6.483 122 HB3 GLN 19 2HB GLN 19 -6.411 5.447 -7.966 123 HG2 GLN 19 1HG GLN 19 -7.172 3.000 -8.647 124 HG3 GLN 19 2HG GLN 19 -7.299 2.833 -6.897 125 HE21 GLN 19 1HE2 GLN 19 -9.320 3.075 -6.293 126 HE22 GLN 19 2HE2 GLN 19 -10.431 4.256 -6.889 127 H GLU 20 H GLU 20 -4.359 1.747 -9.227 128 HA GLU 20 HA GLU 20 -4.770 2.496 -11.974 129 HB2 GLU 20 1HB GLU 20 -3.832 0.097 -10.516 130 HB3 GLU 20 2HB GLU 20 -4.598 -0.198 -12.070 131 HG2 GLU 20 1HG GLU 20 -2.420 1.833 -11.794 132 HG3 GLU 20 2HG GLU 20 -2.051 0.119 -11.980 133 H ARG 21 H ARG 21 -6.271 -0.029 -9.944 134 HA ARG 21 HA ARG 21 -8.898 0.683 -10.929 135 HB2 ARG 21 1HB ARG 21 -7.975 -2.150 -11.357 136 HB3 ARG 21 2HB ARG 21 -9.423 -1.368 -11.977 137 HG2 ARG 21 1HG ARG 21 -7.940 0.097 -13.357 138 HG3 ARG 21 2HG ARG 21 -6.581 -0.905 -12.844 139 HD2 ARG 21 1HD ARG 21 -7.915 -2.885 -13.724 140 HD3 ARG 21 2HD ARG 21 -8.967 -1.697 -14.491 141 HE ARG 21 HE ARG 21 -6.441 -1.008 -15.281 142 HH11 ARG 21 2HH1 ARG 21 -8.404 -3.876 -15.474 143 HH12 ARG 21 1HH1 ARG 21 -7.681 -4.429 -16.949 144 HH21 ARG 21 2HH2 ARG 21 -5.482 -1.725 -17.222 145 HH22 ARG 21 1HH2 ARG 21 -6.019 -3.205 -17.942 146 H ALA 22 H ALA 22 -10.166 0.647 -9.205 147 HA ALA 22 HA ALA 22 -9.467 -1.071 -6.942 148 HB1 ALA 22 1HB ALA 22 -10.349 1.565 -7.114 149 HB2 ALA 22 2HB ALA 22 -11.726 0.663 -6.478 150 HB3 ALA 22 3HB ALA 22 -10.170 0.596 -5.651 151 H GLY 23 H GLY 23 -10.286 -3.073 -7.255 152 HA2 GLY 23 1HA GLY 23 -12.779 -3.574 -8.547 153 HA3 GLY 23 2HA GLY 23 -11.812 -4.748 -7.667 154 H GLN 24 H GLN 24 -14.360 -5.138 -7.344 155 HA GLN 24 HA GLN 24 -15.740 -3.621 -5.439 156 HB2 GLN 24 1HB GLN 24 -16.459 -5.652 -6.991 157 HB3 GLN 24 2HB GLN 24 -16.140 -6.573 -5.527 158 HG2 GLN 24 1HG GLN 24 -17.668 -4.860 -4.371 159 HG3 GLN 24 2HG GLN 24 -18.190 -4.449 -6.003 160 HE21 GLN 24 1HE2 GLN 24 -19.968 -5.439 -6.594 161 HE22 GLN 24 2HE2 GLN 24 -20.474 -7.018 -6.107 162 H THR 25 H THR 25 -13.911 -6.648 -4.987 163 HA THR 25 HA THR 25 -13.698 -5.985 -2.124 164 HB THR 25 HB THR 25 -13.228 -8.411 -1.776 165 HG1 THR 25 1HG THR 25 -14.101 -9.661 -3.745 166 HG21 THR 25 1HG2 THR 25 -15.423 -7.890 -1.257 167 HG22 THR 25 2HG2 THR 25 -15.635 -9.139 -2.483 168 HG23 THR 25 3HG2 THR 25 -15.818 -7.439 -2.915 169 H SER 26 H SER 26 -11.981 -5.350 -4.636 170 HA SER 26 HA SER 26 -9.449 -5.672 -3.267 171 HB2 SER 26 1HB SER 26 -8.351 -6.657 -5.301 172 HB3 SER 26 2HB SER 26 -9.478 -7.747 -4.492 173 HG SER 26 HG SER 26 -10.815 -7.624 -6.149 174 H VAL 27 H VAL 27 -7.645 -4.677 -4.722 175 HA VAL 27 HA VAL 27 -8.461 -2.688 -6.611 176 HB VAL 27 HB VAL 27 -9.161 -1.425 -4.723 177 HG11 VAL 27 1HG1 VAL 27 -7.751 -2.886 -3.133 178 HG12 VAL 27 2HG1 VAL 27 -6.485 -1.687 -3.403 179 HG13 VAL 27 3HG1 VAL 27 -8.029 -1.198 -2.705 180 HG21 VAL 27 1HG2 VAL 27 -7.817 0.520 -4.899 181 HG22 VAL 27 2HG2 VAL 27 -6.384 -0.422 -5.312 182 HG23 VAL 27 3HG2 VAL 27 -7.717 -0.296 -6.459 183 H SER 28 H SER 28 -6.653 -1.476 -7.475 184 HA SER 28 HA SER 28 -4.060 -2.767 -6.926 185 HB2 SER 28 1HB SER 28 -4.967 -3.441 -9.114 186 HB3 SER 28 2HB SER 28 -5.089 -1.746 -9.586 187 HG SER 28 HG SER 28 -2.660 -1.908 -8.891 188 H LEU 29 H LEU 29 -2.318 -1.483 -6.622 189 HA LEU 29 HA LEU 29 -2.750 1.424 -6.834 190 HB2 LEU 29 1HB LEU 29 -0.972 -0.083 -4.923 191 HB3 LEU 29 2HB LEU 29 -1.133 1.670 -5.009 192 HG LEU 29 HG LEU 29 -3.397 -0.193 -4.305 193 HD11 LEU 29 1HD1 LEU 29 -1.644 -0.373 -2.630 194 HD12 LEU 29 2HD1 LEU 29 -3.031 0.507 -1.990 195 HD13 LEU 29 3HD1 LEU 29 -1.582 1.383 -2.484 196 HD21 LEU 29 1HD2 LEU 29 -3.067 2.744 -4.564 197 HD22 LEU 29 2HD2 LEU 29 -4.071 2.146 -3.243 198 HD23 LEU 29 3HD2 LEU 29 -4.463 1.724 -4.910 199 H LEU 30 H LEU 30 -0.697 2.688 -7.103 200 HA LEU 30 HA LEU 30 1.398 1.249 -8.547 201 HB2 LEU 30 1HB LEU 30 -0.426 3.310 -9.674 202 HB3 LEU 30 2HB LEU 30 1.261 3.321 -10.183 203 HG LEU 30 HG LEU 30 -0.862 1.277 -10.703 204 HD11 LEU 30 1HD1 LEU 30 0.548 1.469 -12.948 205 HD12 LEU 30 2HD1 LEU 30 0.932 3.047 -12.260 206 HD13 LEU 30 3HD1 LEU 30 -0.748 2.596 -12.546 207 HD21 LEU 30 1HD2 LEU 30 1.209 -0.025 -11.675 208 HD22 LEU 30 2HD2 LEU 30 0.696 -0.244 -10.002 209 HD23 LEU 30 3HD2 LEU 30 2.059 0.811 -10.376 210 H TRP 31 H TRP 31 3.315 1.870 -7.821 211 HA TRP 31 HA TRP 31 3.776 4.662 -7.118 212 HB2 TRP 31 1HB TRP 31 4.650 4.193 -4.938 213 HB3 TRP 31 2HB TRP 31 3.055 3.453 -5.033 214 HD1 TRP 31 HD TRP 31 6.757 2.569 -4.766 215 HE1 TRP 31 1HE TRP 31 6.972 0.076 -4.163 216 HE3 TRP 31 3HE TRP 31 1.860 1.186 -5.266 217 HZ2 TRP 31 2HZ TRP 31 5.289 -2.178 -3.930 218 HZ3 TRP 31 3HZ TRP 31 1.247 -1.157 -4.835 219 HH2 TRP 31 HH TRP 31 2.927 -2.803 -4.181 220 H GLN 32 H GLN 32 5.761 5.345 -7.685 221 HA GLN 32 HA GLN 32 7.554 3.398 -8.903 222 HB2 GLN 32 1HB GLN 32 8.625 5.242 -9.961 223 HB3 GLN 32 2HB GLN 32 6.895 5.537 -10.060 224 HG2 GLN 32 1HG GLN 32 6.964 7.282 -8.576 225 HG3 GLN 32 2HG GLN 32 8.429 6.695 -7.789 226 HE21 GLN 32 1HE2 GLN 32 10.360 6.611 -9.358 227 HE22 GLN 32 2HE2 GLN 32 10.596 8.027 -10.319 228 H GLU 33 H GLU 33 9.893 3.555 -8.515 229 HA GLU 33 HA GLU 33 10.581 3.178 -5.869 230 HB2 GLU 33 1HB GLU 33 12.104 3.707 -8.365 231 HB3 GLU 33 2HB GLU 33 12.968 3.898 -6.847 232 HG2 GLU 33 1HG GLU 33 13.408 1.714 -7.219 233 HG3 GLU 33 2HG GLU 33 11.879 1.533 -6.362 234 HA PRO 34 HA PRO 34 10.880 7.157 -4.030 235 HB2 PRO 34 1HB PRO 34 12.767 6.667 -2.141 236 HB3 PRO 34 2HB PRO 34 11.111 6.060 -2.025 237 HG2 PRO 34 1HG PRO 34 13.588 4.646 -2.934 238 HG3 PRO 34 2HG PRO 34 12.287 4.059 -1.880 239 HD2 PRO 34 1HD PRO 34 12.448 3.400 -4.501 240 HD3 PRO 34 2HD PRO 34 10.898 3.575 -3.654 241 H GLU 35 H GLU 35 12.261 8.982 -3.779 242 HA GLU 35 HA GLU 35 13.964 9.565 -5.830 243 HB2 GLU 35 1HB GLU 35 13.979 10.640 -3.009 244 HB3 GLU 35 2HB GLU 35 14.931 11.334 -4.314 245 HG2 GLU 35 1HG GLU 35 12.583 11.397 -5.517 246 HG3 GLU 35 2HG GLU 35 12.003 11.406 -3.852 247 H GLN 36 H GLN 36 14.935 8.450 -2.590 248 HA GLN 36 HA GLN 36 17.349 7.300 -3.778 249 HB2 GLN 36 1HB GLN 36 17.293 9.197 -1.432 250 HB3 GLN 36 2HB GLN 36 18.660 8.150 -1.788 251 HG2 GLN 36 1HG GLN 36 17.624 9.942 -3.925 252 HG3 GLN 36 2HG GLN 36 18.600 10.626 -2.626 253 HE21 GLN 36 1HE2 GLN 36 19.476 10.749 -5.198 254 HE22 GLN 36 2HE2 GLN 36 20.832 9.699 -5.412 255 HA PRO 37 HA PRO 37 15.503 4.108 -1.162 256 HB2 PRO 37 1HB PRO 37 16.804 2.060 -2.379 257 HB3 PRO 37 2HB PRO 37 15.342 2.798 -3.042 258 HG2 PRO 37 1HG PRO 37 18.204 3.273 -3.778 259 HG3 PRO 37 2HG PRO 37 16.793 3.090 -4.836 260 HD2 PRO 37 1HD PRO 37 17.847 5.506 -4.218 261 HD3 PRO 37 2HD PRO 37 16.113 5.269 -4.516 262 H ASN 38 H ASN 38 18.804 4.974 -1.746 263 HA ASN 38 HA ASN 38 20.740 4.656 -0.587 264 HB2 ASN 38 1HB ASN 38 18.827 4.407 1.746 265 HB3 ASN 38 2HB ASN 38 20.548 4.764 1.857 266 HD21 ASN 38 1HD2 ASN 38 19.038 6.502 3.066 267 HD22 ASN 38 2HD2 ASN 38 18.857 7.965 2.165 268 H GLY 39 H GLY 39 19.844 2.347 -1.835 269 HA2 GLY 39 1HA GLY 39 21.325 0.315 -1.295 270 HA3 GLY 39 2HA GLY 39 20.322 0.220 0.146 271 H ILE 40 H ILE 40 19.863 -1.957 -0.679 272 HA ILE 40 HA ILE 40 18.029 -2.025 -2.961 273 HB ILE 40 HB ILE 40 19.284 -4.293 -1.409 274 HG12 ILE 40 1HG1 ILE 40 20.363 -4.593 -3.780 275 HG13 ILE 40 2HG1 ILE 40 19.965 -2.888 -3.970 276 HG21 ILE 40 1HG2 ILE 40 17.296 -5.186 -2.216 277 HG22 ILE 40 2HG2 ILE 40 17.353 -4.230 -3.696 278 HG23 ILE 40 3HG2 ILE 40 18.458 -5.587 -3.481 279 HD11 ILE 40 1HD1 ILE 40 22.256 -3.205 -3.214 280 HD12 ILE 40 2HD1 ILE 40 21.295 -2.351 -2.007 281 HD13 ILE 40 3HD1 ILE 40 21.673 -4.059 -1.786 282 H ILE 41 H ILE 41 15.897 -2.297 -2.740 283 HA ILE 41 HA ILE 41 14.808 -2.515 -0.045 284 HB ILE 41 HB ILE 41 13.391 -1.989 -2.660 285 HG12 ILE 41 1HG1 ILE 41 13.758 0.058 -0.513 286 HG13 ILE 41 2HG1 ILE 41 15.107 -0.284 -1.591 287 HG21 ILE 41 1HG2 ILE 41 12.215 -2.987 -0.491 288 HG22 ILE 41 2HG2 ILE 41 12.201 -1.283 -0.041 289 HG23 ILE 41 3HG2 ILE 41 11.425 -1.807 -1.536 290 HD11 ILE 41 1HD1 ILE 41 12.781 1.319 -2.040 291 HD12 ILE 41 2HD1 ILE 41 14.226 1.136 -3.035 292 HD13 ILE 41 3HD1 ILE 41 12.869 0.029 -3.239 293 H LEU 42 H LEU 42 14.145 -4.386 0.758 294 HA LEU 42 HA LEU 42 14.145 -6.793 -0.703 295 HB2 LEU 42 1HB LEU 42 12.798 -6.190 1.925 296 HB3 LEU 42 2HB LEU 42 13.160 -7.794 1.291 297 HG LEU 42 HG LEU 42 15.319 -5.786 1.880 298 HD11 LEU 42 1HD1 LEU 42 15.514 -6.507 4.068 299 HD12 LEU 42 2HD1 LEU 42 14.558 -7.962 3.785 300 HD13 LEU 42 3HD1 LEU 42 13.766 -6.388 3.864 301 HD21 LEU 42 1HD2 LEU 42 16.571 -7.370 0.954 302 HD22 LEU 42 2HD2 LEU 42 15.197 -8.471 0.839 303 HD23 LEU 42 3HD2 LEU 42 16.158 -8.411 2.317 304 H GLU 43 H GLU 43 11.427 -4.886 0.595 305 HA GLU 43 HA GLU 43 9.793 -5.423 -1.673 306 HB2 GLU 43 1HB GLU 43 8.031 -6.703 -0.476 307 HB3 GLU 43 2HB GLU 43 9.530 -7.600 -0.670 308 HG2 GLU 43 1HG GLU 43 10.065 -6.693 1.707 309 HG3 GLU 43 2HG GLU 43 8.322 -6.447 1.799 310 H TYR 44 H TYR 44 7.684 -4.398 -1.519 311 HA TYR 44 HA TYR 44 7.765 -2.120 0.318 312 HB2 TYR 44 1HB TYR 44 6.340 -2.617 -2.289 313 HB3 TYR 44 2HB TYR 44 5.909 -1.269 -1.242 314 HD1 TYR 44 1HD TYR 44 8.822 -2.781 -3.007 315 HD2 TYR 44 2HD TYR 44 7.056 0.750 -1.421 316 HE1 TYR 44 1HE TYR 44 10.624 -1.438 -4.006 317 HE2 TYR 44 2HE TYR 44 8.852 2.103 -2.417 318 HH TYR 44 HH TYR 44 10.614 1.408 -4.727 319 H GLU 45 H GLU 45 6.585 -2.212 2.101 320 HA GLU 45 HA GLU 45 4.437 -4.134 2.359 321 HB2 GLU 45 1HB GLU 45 6.241 -3.366 4.134 322 HB3 GLU 45 2HB GLU 45 5.051 -2.117 4.474 323 HG2 GLU 45 1HG GLU 45 3.366 -3.946 4.792 324 HG3 GLU 45 2HG GLU 45 4.701 -5.093 4.692 325 H ILE 46 H ILE 46 2.310 -3.725 2.293 326 HA ILE 46 HA ILE 46 1.462 -0.909 2.091 327 HB ILE 46 HB ILE 46 0.158 -3.259 0.717 328 HG12 ILE 46 1HG1 ILE 46 1.551 -1.089 -0.781 329 HG13 ILE 46 2HG1 ILE 46 2.540 -2.335 -0.028 330 HG21 ILE 46 1HG2 ILE 46 -0.475 -0.375 0.971 331 HG22 ILE 46 2HG2 ILE 46 -0.762 -1.137 -0.593 332 HG23 ILE 46 3HG2 ILE 46 -1.551 -1.767 0.852 333 HD11 ILE 46 1HD1 ILE 46 1.366 -4.048 -1.274 334 HD12 ILE 46 2HD1 ILE 46 0.316 -2.827 -1.992 335 HD13 ILE 46 3HD1 ILE 46 2.040 -2.836 -2.363 336 H LYS 47 H LYS 47 0.432 -0.368 3.896 337 HA LYS 47 HA LYS 47 -1.188 -2.375 5.289 338 HB2 LYS 47 1HB LYS 47 0.364 -1.317 6.749 339 HB3 LYS 47 2HB LYS 47 -0.043 0.282 6.139 340 HG2 LYS 47 1HG LYS 47 -2.346 -0.062 7.091 341 HG3 LYS 47 2HG LYS 47 -1.711 -1.504 7.888 342 HD2 LYS 47 1HD LYS 47 -0.343 -0.284 9.294 343 HD3 LYS 47 2HD LYS 47 -0.287 1.104 8.205 344 HE2 LYS 47 1HE LYS 47 -2.551 1.696 8.765 345 HE3 LYS 47 2HE LYS 47 -2.741 0.229 9.723 346 HZ1 LYS 47 1HZ LYS 47 -1.095 1.038 11.267 347 HZ2 LYS 47 2HZ LYS 47 -2.321 2.191 11.096 348 HZ3 LYS 47 3HZ LYS 47 -0.831 2.421 10.329 349 H TYR 48 H TYR 48 -3.302 -2.398 4.953 350 HA TYR 48 HA TYR 48 -4.670 0.144 4.382 351 HB2 TYR 48 1HB TYR 48 -6.184 -1.112 2.852 352 HB3 TYR 48 2HB TYR 48 -4.519 -1.046 2.286 353 HD1 TYR 48 2HD TYR 48 -7.017 -3.231 3.935 354 HD2 TYR 48 1HD TYR 48 -3.293 -3.023 1.887 355 HE1 TYR 48 2HE TYR 48 -6.990 -5.683 3.746 356 HE2 TYR 48 1HE TYR 48 -3.257 -5.474 1.691 357 HH TYR 48 HH TYR 48 -5.618 -7.365 1.833 358 H TYR 49 H TYR 49 -6.262 0.574 5.753 359 HA TYR 49 HA TYR 49 -7.648 -1.658 7.072 360 HB2 TYR 49 1HB TYR 49 -7.605 -0.494 9.198 361 HB3 TYR 49 2HB TYR 49 -5.957 -0.693 8.612 362 HD1 TYR 49 1HD TYR 49 -8.745 1.794 8.559 363 HD2 TYR 49 2HD TYR 49 -4.542 1.137 8.642 364 HE1 TYR 49 1HE TYR 49 -8.377 4.215 8.795 365 HE2 TYR 49 2HE TYR 49 -4.162 3.555 8.878 366 HH TYR 49 HH TYR 49 -6.271 5.825 8.162 367 H GLU 50 H GLU 50 -9.776 -1.134 7.874 368 HA GLU 50 HA GLU 50 -11.381 0.210 6.063 369 HB2 GLU 50 1HB GLU 50 -11.745 -0.814 8.827 370 HB3 GLU 50 2HB GLU 50 -12.949 0.322 8.236 371 HG2 GLU 50 1HG GLU 50 -13.740 -1.119 6.651 372 HG3 GLU 50 2HG GLU 50 -12.207 -1.979 6.509 373 H LYS 51 H LYS 51 -11.098 2.289 5.541 374 HA LYS 51 HA LYS 51 -10.033 4.333 7.009 375 HB2 LYS 51 1HB LYS 51 -10.457 4.702 4.704 376 HB3 LYS 51 2HB LYS 51 -12.175 4.373 4.889 377 HG2 LYS 51 1HG LYS 51 -12.120 6.668 4.685 378 HG3 LYS 51 2HG LYS 51 -12.162 6.445 6.436 379 HD2 LYS 51 1HD LYS 51 -9.744 6.741 6.543 380 HD3 LYS 51 2HD LYS 51 -9.677 6.920 4.788 381 HE2 LYS 51 1HE LYS 51 -9.598 9.095 5.859 382 HE3 LYS 51 2HE LYS 51 -11.099 8.916 4.953 383 HZ1 LYS 51 1HZ LYS 51 -10.706 8.835 7.881 384 HZ2 LYS 51 2HZ LYS 51 -12.097 8.201 7.159 385 HZ3 LYS 51 3HZ LYS 51 -11.727 9.842 6.983 386 H ASP 52 H ASP 52 -13.486 3.494 6.804 387 HA ASP 52 HA ASP 52 -14.277 5.454 8.722 388 HB2 ASP 52 1HB ASP 52 -15.605 3.237 7.247 389 HB3 ASP 52 2HB ASP 52 -16.381 3.804 8.724 390 H LYS 53 H LYS 53 -13.665 1.972 8.840 391 HA LYS 53 HA LYS 53 -14.020 2.030 11.755 392 HB2 LYS 53 1HB LYS 53 -13.733 -0.376 9.949 393 HB3 LYS 53 2HB LYS 53 -14.182 -0.384 11.650 394 HG2 LYS 53 1HG LYS 53 -15.857 1.125 9.699 395 HG3 LYS 53 2HG LYS 53 -16.001 -0.631 9.805 396 HD2 LYS 53 1HD LYS 53 -16.826 -0.566 11.958 397 HD3 LYS 53 2HD LYS 53 -16.087 0.999 12.305 398 HE2 LYS 53 1HE LYS 53 -18.256 1.660 12.079 399 HE3 LYS 53 2HE LYS 53 -17.745 1.788 10.396 400 HZ1 LYS 53 1HZ LYS 53 -19.650 0.582 10.172 401 HZ2 LYS 53 2HZ LYS 53 -19.486 -0.199 11.663 402 HZ3 LYS 53 3HZ LYS 53 -18.544 -0.687 10.346 403 H GLU 54 H GLU 54 -12.181 2.558 12.756 404 HA GLU 54 HA GLU 54 -9.611 1.761 11.673 405 HB2 GLU 54 1HB GLU 54 -10.521 3.544 13.895 406 HB3 GLU 54 2HB GLU 54 -8.871 2.938 13.910 407 HG2 GLU 54 1HG GLU 54 -8.295 4.076 11.978 408 HG3 GLU 54 2HG GLU 54 -9.972 4.265 11.471 409 H MET 55 H MET 55 -9.199 -0.359 11.953 410 HA MET 55 HA MET 55 -9.853 -1.673 14.459 411 HB2 MET 55 1HB MET 55 -8.697 -2.644 11.851 412 HB3 MET 55 2HB MET 55 -8.812 -3.677 13.270 413 HG2 MET 55 1HG MET 55 -11.084 -3.825 13.156 414 HG3 MET 55 2HG MET 55 -11.256 -2.261 12.362 415 HE1 MET 55 1HE MET 55 -8.909 -3.024 9.745 416 HE2 MET 55 2HE MET 55 -10.348 -2.910 8.733 417 HE3 MET 55 3HE MET 55 -10.146 -1.820 10.106 418 H GLN 56 H GLN 56 -8.415 -2.348 15.981 419 HA GLN 56 HA GLN 56 -6.073 -0.977 16.430 420 HB2 GLN 56 1HB GLN 56 -7.301 -2.345 18.110 421 HB3 GLN 56 2HB GLN 56 -6.655 -3.795 17.352 422 HG2 GLN 56 1HG GLN 56 -4.357 -2.585 17.792 423 HG3 GLN 56 2HG GLN 56 -5.297 -1.765 19.037 424 HE21 GLN 56 1HE2 GLN 56 -5.332 -2.705 20.942 425 HE22 GLN 56 2HE2 GLN 56 -5.055 -4.380 21.259 426 H SER 57 H SER 57 -6.389 -4.253 15.068 427 HA SER 57 HA SER 57 -3.580 -4.159 14.254 428 HB2 SER 57 1HB SER 57 -4.655 -6.173 15.447 429 HB3 SER 57 2HB SER 57 -5.430 -6.511 13.900 430 HG SER 57 HG SER 57 -3.559 -7.628 13.831 431 H TYR 58 H TYR 58 -3.170 -3.319 12.326 432 HA TYR 58 HA TYR 58 -5.199 -3.339 10.244 433 HB2 TYR 58 1HB TYR 58 -3.513 -1.940 9.003 434 HB3 TYR 58 2HB TYR 58 -4.061 -1.254 10.528 435 HD1 TYR 58 1HD TYR 58 -1.291 -3.282 9.073 436 HD2 TYR 58 2HD TYR 58 -2.498 -0.545 12.098 437 HE1 TYR 58 1HE TYR 58 1.046 -3.078 9.812 438 HE2 TYR 58 2HE TYR 58 -0.165 -0.333 12.845 439 HH TYR 58 HH TYR 58 2.321 -2.431 11.726 440 H SER 59 H SER 59 -4.789 -4.099 8.104 441 HA SER 59 HA SER 59 -3.096 -6.483 8.088 442 HB2 SER 59 1HB SER 59 -5.155 -5.610 6.048 443 HB3 SER 59 2HB SER 59 -4.381 -7.191 6.157 444 HG SER 59 HG SER 59 -5.941 -6.090 8.249 445 H THR 60 H THR 60 -1.270 -6.623 6.953 446 HA THR 60 HA THR 60 -0.596 -4.395 5.150 447 HB THR 60 HB THR 60 1.801 -5.279 5.504 448 HG1 THR 60 1HG THR 60 0.995 -7.235 6.591 449 HG21 THR 60 1HG2 THR 60 1.848 -3.369 6.654 450 HG22 THR 60 2HG2 THR 60 1.365 -4.275 8.089 451 HG23 THR 60 3HG2 THR 60 0.141 -3.523 7.066 452 H LEU 61 H LEU 61 0.701 -4.897 3.255 453 HA LEU 61 HA LEU 61 0.366 -7.653 2.285 454 HB2 LEU 61 1HB LEU 61 -1.342 -5.982 1.395 455 HB3 LEU 61 2HB LEU 61 0.002 -5.242 0.528 456 HG LEU 61 HG LEU 61 0.362 -7.564 -0.504 457 HD11 LEU 61 1HD1 LEU 61 -1.800 -8.850 -0.664 458 HD12 LEU 61 2HD1 LEU 61 -2.377 -7.886 0.695 459 HD13 LEU 61 3HD1 LEU 61 -0.971 -8.931 0.890 460 HD21 LEU 61 1HD2 LEU 61 -1.602 -7.143 -2.105 461 HD22 LEU 61 2HD2 LEU 61 -0.383 -5.879 -1.933 462 HD23 LEU 61 3HD2 LEU 61 -1.933 -5.729 -1.103 463 H LYS 62 H LYS 62 2.180 -8.517 1.523 464 HA LYS 62 HA LYS 62 4.520 -6.813 1.190 465 HB2 LYS 62 1HB LYS 62 4.106 -9.779 1.447 466 HB3 LYS 62 2HB LYS 62 5.640 -9.129 0.885 467 HG2 LYS 62 1HG LYS 62 5.820 -9.532 3.222 468 HG3 LYS 62 2HG LYS 62 5.760 -7.785 2.978 469 HD2 LYS 62 1HD LYS 62 3.659 -7.594 3.888 470 HD3 LYS 62 2HD LYS 62 3.213 -9.252 3.477 471 HE2 LYS 62 1HE LYS 62 5.312 -8.618 5.532 472 HE3 LYS 62 2HE LYS 62 3.600 -8.718 5.942 473 HZ1 LYS 62 1HZ LYS 62 5.385 -10.803 5.802 474 HZ2 LYS 62 2HZ LYS 62 4.426 -10.971 4.419 475 HZ3 LYS 62 3HZ LYS 62 3.704 -10.920 5.947 476 H ALA 63 H ALA 63 5.119 -6.092 -0.735 477 HA ALA 63 HA ALA 63 4.452 -7.697 -3.114 478 HB1 ALA 63 1HB ALA 63 4.306 -5.434 -4.306 479 HB2 ALA 63 2HB ALA 63 2.959 -5.907 -3.270 480 HB3 ALA 63 3HB ALA 63 4.150 -4.743 -2.690 481 H VAL 64 H VAL 64 6.128 -8.184 -4.379 482 HA VAL 64 HA VAL 64 8.753 -7.181 -3.707 483 HB VAL 64 HB VAL 64 9.576 -8.763 -5.397 484 HG11 VAL 64 1HG1 VAL 64 7.775 -10.605 -4.111 485 HG12 VAL 64 2HG1 VAL 64 9.500 -10.347 -3.839 486 HG13 VAL 64 3HG1 VAL 64 8.314 -9.365 -2.979 487 HG21 VAL 64 1HG2 VAL 64 7.974 -8.775 -7.094 488 HG22 VAL 64 2HG2 VAL 64 7.800 -10.361 -6.344 489 HG23 VAL 64 3HG2 VAL 64 6.649 -9.078 -5.971 490 H THR 65 H THR 65 6.401 -6.792 -6.270 491 HA THR 65 HA THR 65 8.266 -5.140 -7.810 492 HB THR 65 HB THR 65 7.027 -6.805 -9.091 493 HG1 THR 65 1HG THR 65 7.472 -4.651 -9.981 494 HG21 THR 65 1HG2 THR 65 4.957 -7.311 -8.409 495 HG22 THR 65 2HG2 THR 65 4.432 -5.852 -9.249 496 HG23 THR 65 3HG2 THR 65 4.798 -5.794 -7.525 497 H THR 66 H THR 66 7.235 -3.150 -8.843 498 HA THR 66 HA THR 66 6.305 -1.448 -6.729 499 HB THR 66 HB THR 66 6.219 0.297 -8.572 500 HG1 THR 66 1HG THR 66 6.494 -1.909 -10.074 501 HG21 THR 66 1HG2 THR 66 8.746 -1.223 -7.956 502 HG22 THR 66 2HG2 THR 66 8.146 0.250 -7.193 503 HG23 THR 66 3HG2 THR 66 8.740 0.295 -8.853 504 H ARG 67 H ARG 67 4.672 -3.661 -8.382 505 HA ARG 67 HA ARG 67 2.191 -2.085 -8.334 506 HB2 ARG 67 1HB ARG 67 2.781 -4.203 -10.402 507 HB3 ARG 67 2HB ARG 67 1.403 -3.112 -10.349 508 HG2 ARG 67 1HG ARG 67 2.790 -1.231 -10.861 509 HG3 ARG 67 2HG ARG 67 4.250 -2.212 -10.717 510 HD2 ARG 67 1HD ARG 67 3.685 -3.473 -12.658 511 HD3 ARG 67 2HD ARG 67 2.073 -2.763 -12.721 512 HE ARG 67 HE ARG 67 2.960 -0.883 -13.715 513 HH11 ARG 67 2HH1 ARG 67 5.518 -2.940 -12.557 514 HH12 ARG 67 1HH1 ARG 67 6.769 -2.069 -13.381 515 HH21 ARG 67 2HH2 ARG 67 4.597 0.273 -14.805 516 HH22 ARG 67 1HH2 ARG 67 6.244 -0.241 -14.659 517 H ALA 68 H ALA 68 0.815 -2.920 -6.923 518 HA ALA 68 HA ALA 68 0.717 -5.842 -6.593 519 HB1 ALA 68 1HB ALA 68 0.768 -5.751 -4.282 520 HB2 ALA 68 2HB ALA 68 1.946 -4.519 -4.733 521 HB3 ALA 68 3HB ALA 68 0.322 -4.045 -4.235 522 H THR 69 H THR 69 -1.312 -6.676 -5.868 523 HA THR 69 HA THR 69 -3.568 -4.849 -6.387 524 HB THR 69 HB THR 69 -3.330 -7.804 -6.972 525 HG1 THR 69 1HG THR 69 -3.851 -5.581 -8.681 526 HG21 THR 69 1HG2 THR 69 -5.673 -7.296 -8.024 527 HG22 THR 69 2HG2 THR 69 -5.712 -6.004 -6.824 528 HG23 THR 69 3HG2 THR 69 -5.540 -7.681 -6.309 529 H VAL 70 H VAL 70 -4.366 -4.289 -4.453 530 HA VAL 70 HA VAL 70 -4.260 -5.917 -2.136 531 HB VAL 70 HB VAL 70 -5.897 -3.462 -2.765 532 HG11 VAL 70 1HG1 VAL 70 -7.081 -3.751 -0.910 533 HG12 VAL 70 2HG1 VAL 70 -6.338 -5.340 -0.707 534 HG13 VAL 70 3HG1 VAL 70 -5.604 -3.920 0.039 535 HG21 VAL 70 1HG2 VAL 70 -3.236 -3.644 -2.374 536 HG22 VAL 70 2HG2 VAL 70 -4.197 -2.234 -1.928 537 HG23 VAL 70 3HG2 VAL 70 -3.785 -3.441 -0.710 538 H SER 71 H SER 71 -5.384 -7.714 -1.825 539 HA SER 71 HA SER 71 -8.147 -7.837 -2.845 540 HB2 SER 71 1HB SER 71 -7.068 -9.473 -4.101 541 HB3 SER 71 2HB SER 71 -5.975 -9.906 -2.786 542 HG SER 71 HG SER 71 -7.720 -11.433 -3.243 543 H GLY 72 H GLY 72 -9.688 -8.977 -1.566 544 HA2 GLY 72 1HA GLY 72 -10.487 -9.981 0.399 545 HA3 GLY 72 2HA GLY 72 -8.914 -9.731 1.141 546 H LEU 73 H LEU 73 -11.375 -7.598 -0.314 547 HA LEU 73 HA LEU 73 -11.366 -6.054 2.193 548 HB2 LEU 73 1HB LEU 73 -11.765 -4.799 -0.502 549 HB3 LEU 73 2HB LEU 73 -11.401 -4.014 1.034 550 HG LEU 73 HG LEU 73 -9.427 -5.828 -0.324 551 HD11 LEU 73 1HD1 LEU 73 -8.873 -4.296 -1.836 552 HD12 LEU 73 2HD1 LEU 73 -8.898 -3.001 -0.640 553 HD13 LEU 73 3HD1 LEU 73 -10.390 -3.483 -1.448 554 HD21 LEU 73 1HD2 LEU 73 -7.968 -5.148 1.249 555 HD22 LEU 73 2HD2 LEU 73 -9.430 -4.788 2.169 556 HD23 LEU 73 3HD2 LEU 73 -8.605 -3.503 1.283 557 H LYS 74 H LYS 74 -13.335 -4.435 2.098 558 HA LYS 74 HA LYS 74 -15.690 -6.080 1.481 559 HB2 LYS 74 1HB LYS 74 -15.213 -3.865 3.467 560 HB3 LYS 74 2HB LYS 74 -16.834 -4.414 3.058 561 HG2 LYS 74 1HG LYS 74 -16.593 -6.392 4.150 562 HG3 LYS 74 2HG LYS 74 -14.853 -6.467 3.862 563 HD2 LYS 74 1HD LYS 74 -15.058 -6.077 6.166 564 HD3 LYS 74 2HD LYS 74 -14.676 -4.497 5.479 565 HE2 LYS 74 1HE LYS 74 -17.524 -5.330 5.867 566 HE3 LYS 74 2HE LYS 74 -16.587 -4.712 7.227 567 HZ1 LYS 74 1HZ LYS 74 -17.962 -3.095 5.772 568 HZ2 LYS 74 2HZ LYS 74 -16.655 -3.201 4.704 569 HZ3 LYS 74 3HZ LYS 74 -16.415 -2.641 6.282 570 HA PRO 75 HA PRO 75 -16.864 -3.317 -1.746 571 HB2 PRO 75 1HB PRO 75 -19.509 -3.921 -1.857 572 HB3 PRO 75 2HB PRO 75 -18.250 -5.000 -2.471 573 HG2 PRO 75 1HG PRO 75 -19.719 -5.092 0.136 574 HG3 PRO 75 2HG PRO 75 -19.303 -6.422 -0.961 575 HD2 PRO 75 1HD PRO 75 -17.884 -5.885 1.282 576 HD3 PRO 75 2HD PRO 75 -17.136 -6.551 -0.184 577 H GLY 76 H GLY 76 -17.478 -1.231 -1.867 578 HA2 GLY 76 1HA GLY 76 -18.333 0.811 -1.262 579 HA3 GLY 76 2HA GLY 76 -19.644 -0.075 -0.498 580 H THR 77 H THR 77 -16.156 0.141 0.187 581 HA THR 77 HA THR 77 -16.717 1.449 2.725 582 HB THR 77 HB THR 77 -15.149 -1.131 2.695 583 HG1 THR 77 1HG THR 77 -16.961 -2.168 3.142 584 HG21 THR 77 1HG2 THR 77 -15.340 -0.974 5.123 585 HG22 THR 77 2HG2 THR 77 -16.256 0.525 4.966 586 HG23 THR 77 3HG2 THR 77 -14.565 0.469 4.468 587 H ARG 78 H ARG 78 -15.375 3.125 2.701 588 HA ARG 78 HA ARG 78 -13.117 3.411 1.106 589 HB2 ARG 78 1HB ARG 78 -14.223 4.828 3.469 590 HB3 ARG 78 2HB ARG 78 -12.536 5.134 3.080 591 HG2 ARG 78 1HG ARG 78 -13.545 5.475 0.654 592 HG3 ARG 78 2HG ARG 78 -14.992 5.856 1.590 593 HD2 ARG 78 1HD ARG 78 -13.546 7.440 2.931 594 HD3 ARG 78 2HD ARG 78 -12.300 7.194 1.708 595 HE ARG 78 HE ARG 78 -13.541 8.449 0.215 596 HH11 ARG 78 2HH1 ARG 78 -15.371 7.849 3.115 597 HH12 ARG 78 1HH1 ARG 78 -16.605 9.004 2.732 598 HH21 ARG 78 2HH2 ARG 78 -15.159 9.972 -0.301 599 HH22 ARG 78 1HH2 ARG 78 -16.483 10.211 0.788 600 H TYR 79 H TYR 79 -10.914 3.223 1.467 601 HA TYR 79 HA TYR 79 -10.042 1.954 3.958 602 HB2 TYR 79 1HB TYR 79 -9.833 0.802 1.205 603 HB3 TYR 79 2HB TYR 79 -8.545 0.487 2.362 604 HD1 TYR 79 2HD TYR 79 -9.150 -0.609 4.567 605 HD2 TYR 79 1HD TYR 79 -11.849 -0.407 1.284 606 HE1 TYR 79 2HE TYR 79 -10.474 -2.434 5.550 607 HE2 TYR 79 1HE TYR 79 -13.181 -2.231 2.258 608 HH TYR 79 HH TYR 79 -12.081 -4.023 5.045 609 H VAL 80 H VAL 80 -8.169 2.744 4.695 610 HA VAL 80 HA VAL 80 -6.800 4.756 3.100 611 HB VAL 80 HB VAL 80 -6.343 3.924 5.969 612 HG11 VAL 80 1HG1 VAL 80 -5.043 5.964 6.167 613 HG12 VAL 80 2HG1 VAL 80 -4.367 4.932 4.906 614 HG13 VAL 80 3HG1 VAL 80 -5.335 6.340 4.469 615 HG21 VAL 80 1HG2 VAL 80 -8.575 4.915 5.508 616 HG22 VAL 80 2HG2 VAL 80 -7.581 5.889 6.591 617 HG23 VAL 80 3HG2 VAL 80 -7.765 6.360 4.902 618 H PHE 81 H PHE 81 -5.229 4.119 1.785 619 HA PHE 81 HA PHE 81 -3.647 1.753 2.456 620 HB2 PHE 81 1HB PHE 81 -4.002 3.334 -0.087 621 HB3 PHE 81 2HB PHE 81 -2.764 2.095 0.084 622 HD1 PHE 81 1HD PHE 81 -3.466 -0.264 0.568 623 HD2 PHE 81 2HD PHE 81 -6.230 2.772 -0.554 624 HE1 PHE 81 1HE PHE 81 -5.107 -1.991 -0.049 625 HE2 PHE 81 2HE PHE 81 -7.876 1.051 -1.172 626 HZ PHE 81 HZ PHE 81 -7.316 -1.334 -0.919 627 H GLN 82 H GLN 82 -1.416 1.775 2.628 628 HA GLN 82 HA GLN 82 -0.005 4.312 2.415 629 HB2 GLN 82 1HB GLN 82 -0.278 2.756 4.984 630 HB3 GLN 82 2HB GLN 82 1.012 3.920 4.711 631 HG2 GLN 82 1HG GLN 82 -1.835 4.730 4.332 632 HG3 GLN 82 2HG GLN 82 -1.145 4.642 5.951 633 HE21 GLN 82 1HE2 GLN 82 0.146 6.243 6.647 634 HE22 GLN 82 2HE2 GLN 82 0.607 7.613 5.702 635 H VAL 83 H VAL 83 1.643 3.817 1.134 636 HA VAL 83 HA VAL 83 2.844 1.158 1.259 637 HB VAL 83 HB VAL 83 3.369 3.413 -0.683 638 HG11 VAL 83 1HG1 VAL 83 5.282 2.033 -0.652 639 HG12 VAL 83 2HG1 VAL 83 4.313 0.560 -0.569 640 HG13 VAL 83 3HG1 VAL 83 4.342 1.516 -2.052 641 HG21 VAL 83 1HG2 VAL 83 1.780 2.574 -2.079 642 HG22 VAL 83 2HG2 VAL 83 1.967 0.925 -1.484 643 HG23 VAL 83 3HG2 VAL 83 1.057 2.104 -0.541 644 H ARG 84 H ARG 84 5.092 0.833 1.496 645 HA ARG 84 HA ARG 84 6.709 3.088 2.390 646 HB2 ARG 84 1HB ARG 84 7.314 2.122 4.480 647 HB3 ARG 84 2HB ARG 84 5.557 2.096 4.401 648 HG2 ARG 84 1HG ARG 84 5.454 -0.170 4.303 649 HG3 ARG 84 2HG ARG 84 6.998 -0.314 3.460 650 HD2 ARG 84 1HD ARG 84 7.642 -1.095 5.495 651 HD3 ARG 84 2HD ARG 84 7.905 0.626 5.772 652 HE ARG 84 HE ARG 84 5.363 0.296 6.579 653 HH11 ARG 84 2HH1 ARG 84 8.295 -1.438 7.296 654 HH12 ARG 84 1HH1 ARG 84 7.789 -1.897 8.888 655 HH21 ARG 84 2HH2 ARG 84 4.685 -0.302 8.674 656 HH22 ARG 84 1HH2 ARG 84 5.735 -1.250 9.671 657 H ALA 85 H ALA 85 9.012 2.271 2.901 658 HA ALA 85 HA ALA 85 9.726 0.059 1.097 659 HB1 ALA 85 1HB ALA 85 11.857 1.688 0.786 660 HB2 ALA 85 2HB ALA 85 10.471 1.656 -0.305 661 HB3 ALA 85 3HB ALA 85 10.565 2.877 0.964 662 H ARG 86 H ARG 86 10.829 -1.449 2.145 663 HA ARG 86 HA ARG 86 12.465 -0.642 4.461 664 HB2 ARG 86 1HB ARG 86 10.538 -1.991 5.128 665 HB3 ARG 86 2HB ARG 86 11.007 -3.249 3.992 666 HG2 ARG 86 1HG ARG 86 12.888 -3.847 5.260 667 HG3 ARG 86 2HG ARG 86 12.812 -2.368 6.219 668 HD2 ARG 86 1HD ARG 86 12.017 -4.294 7.493 669 HD3 ARG 86 2HD ARG 86 10.727 -3.121 7.233 670 HE ARG 86 HE ARG 86 9.625 -4.654 5.907 671 HH11 ARG 86 2HH1 ARG 86 12.826 -5.798 6.657 672 HH12 ARG 86 1HH1 ARG 86 12.534 -7.399 6.065 673 HH21 ARG 86 2HH2 ARG 86 9.227 -6.759 5.125 674 HH22 ARG 86 1HH2 ARG 86 10.487 -7.945 5.193 675 H THR 87 H THR 87 14.566 -1.162 4.451 676 HA THR 87 HA THR 87 15.522 -2.994 2.347 677 HB THR 87 HB THR 87 17.575 -1.673 2.194 678 HG1 THR 87 1HG THR 87 16.647 -0.597 4.477 679 HG21 THR 87 1HG2 THR 87 15.997 -1.017 0.589 680 HG22 THR 87 2HG2 THR 87 16.499 0.498 1.338 681 HG23 THR 87 3HG2 THR 87 14.964 -0.244 1.790 682 H SER 88 H SER 88 17.647 -3.996 2.828 683 HA SER 88 HA SER 88 17.611 -5.435 5.195 684 HB2 SER 88 1HB SER 88 19.890 -6.139 4.634 685 HB3 SER 88 2HB SER 88 18.877 -6.119 3.191 686 HG SER 88 HG SER 88 20.333 -4.849 2.387 687 H ALA 89 H ALA 89 19.361 -2.467 4.409 688 HA ALA 89 HA ALA 89 20.878 -2.295 6.771 689 HB1 ALA 89 1HB ALA 89 20.305 -0.613 4.492 690 HB2 ALA 89 2HB ALA 89 20.395 0.324 5.984 691 HB3 ALA 89 3HB ALA 89 21.751 -0.693 5.500 692 H GLY 90 H GLY 90 17.919 -0.483 5.905 693 HA2 GLY 90 1HA GLY 90 16.999 -0.713 8.664 694 HA3 GLY 90 2HA GLY 90 17.319 0.913 8.079 695 H CYS 91 H CYS 91 14.996 1.152 8.639 696 HA CYS 91 HA CYS 91 13.311 0.298 6.377 697 HB2 CYS 91 1HB CYS 91 12.884 -0.645 8.807 698 HB3 CYS 91 2HB CYS 91 12.101 0.913 9.040 699 HG CYS 91 HG CYS 91 10.281 -1.245 8.421 700 H GLY 92 H GLY 92 11.503 1.758 5.888 701 HA2 GLY 92 1HA GLY 92 12.311 4.557 6.345 702 HA3 GLY 92 2HA GLY 92 11.410 3.982 4.950 703 H ARG 93 H ARG 93 9.873 5.661 5.373 704 HA ARG 93 HA ARG 93 8.122 5.103 7.676 705 HB2 ARG 93 1HB ARG 93 8.914 7.631 6.306 706 HB3 ARG 93 2HB ARG 93 7.298 7.532 6.994 707 HG2 ARG 93 1HG ARG 93 8.401 6.837 9.158 708 HG3 ARG 93 2HG ARG 93 9.933 7.301 8.415 709 HD2 ARG 93 1HD ARG 93 9.340 9.236 9.522 710 HD3 ARG 93 2HD ARG 93 8.700 9.534 7.907 711 HE ARG 93 HE ARG 93 6.651 8.357 9.319 712 HH11 ARG 93 2HH1 ARG 93 8.607 11.222 9.614 713 HH12 ARG 93 1HH1 ARG 93 7.370 12.143 10.404 714 HH21 ARG 93 2HH2 ARG 93 5.015 9.559 10.358 715 HH22 ARG 93 1HH2 ARG 93 5.327 11.196 10.828 716 H PHE 94 H PHE 94 5.796 6.039 7.143 717 HA PHE 94 HA PHE 94 4.918 4.568 4.784 718 HB2 PHE 94 1HB PHE 94 3.649 5.462 7.320 719 HB3 PHE 94 2HB PHE 94 2.607 5.328 5.907 720 HD1 PHE 94 1HD PHE 94 3.484 3.021 4.503 721 HD2 PHE 94 2HD PHE 94 3.325 3.669 8.707 722 HE1 PHE 94 1HE PHE 94 3.301 0.594 4.867 723 HE2 PHE 94 2HE PHE 94 3.142 1.243 9.077 724 HZ PHE 94 HZ PHE 94 3.131 -0.298 7.156 725 H SER 95 H SER 95 4.050 5.477 3.009 726 HA SER 95 HA SER 95 4.488 8.175 2.420 727 HB2 SER 95 1HB SER 95 4.199 6.288 0.762 728 HB3 SER 95 2HB SER 95 2.462 6.398 1.047 729 HG SER 95 HG SER 95 2.423 8.025 -0.266 730 H GLN 96 H GLN 96 2.595 9.580 1.518 731 HA GLN 96 HA GLN 96 1.108 10.520 3.662 732 HB2 GLN 96 1HB GLN 96 1.029 10.925 0.717 733 HB3 GLN 96 2HB GLN 96 -0.367 11.462 1.642 734 HG2 GLN 96 1HG GLN 96 1.018 12.901 2.986 735 HG3 GLN 96 2HG GLN 96 2.471 12.293 2.195 736 HE21 GLN 96 1HE2 GLN 96 2.993 13.001 0.154 737 HE22 GLN 96 2HE2 GLN 96 2.201 14.334 -0.608 738 H ALA 97 H ALA 97 -0.926 10.183 4.430 739 HA ALA 97 HA ALA 97 -2.119 7.702 4.228 740 HB1 ALA 97 1HB ALA 97 -2.729 10.215 5.473 741 HB2 ALA 97 2HB ALA 97 -4.198 9.480 4.830 742 HB3 ALA 97 3HB ALA 97 -3.187 8.583 5.962 743 H MET 98 H MET 98 -2.655 6.845 2.298 744 HA MET 98 HA MET 98 -4.020 8.440 0.295 745 HB2 MET 98 1HB MET 98 -2.332 6.932 -0.511 746 HB3 MET 98 2HB MET 98 -3.072 5.573 0.324 747 HG2 MET 98 1HG MET 98 -5.053 5.810 -1.136 748 HG3 MET 98 2HG MET 98 -4.210 7.082 -2.016 749 HE1 MET 98 1HE MET 98 -5.060 5.750 -3.861 750 HE2 MET 98 2HE MET 98 -3.503 5.809 -4.687 751 HE3 MET 98 3HE MET 98 -4.352 4.272 -4.514 752 H GLU 99 H GLU 99 -6.117 8.175 -0.383 753 HA GLU 99 HA GLU 99 -7.792 6.385 1.254 754 HB2 GLU 99 1HB GLU 99 -8.335 9.179 0.266 755 HB3 GLU 99 2HB GLU 99 -9.624 8.108 0.797 756 HG2 GLU 99 1HG GLU 99 -8.635 7.961 3.001 757 HG3 GLU 99 2HG GLU 99 -7.281 8.964 2.481 758 H VAL 100 H VAL 100 -8.825 4.866 0.152 759 HA VAL 100 HA VAL 100 -9.684 5.399 -2.596 760 HB VAL 100 HB VAL 100 -8.119 2.941 -1.794 761 HG11 VAL 100 1HG1 VAL 100 -9.011 1.911 -3.545 762 HG12 VAL 100 2HG1 VAL 100 -10.048 3.309 -3.833 763 HG13 VAL 100 3HG1 VAL 100 -8.466 3.209 -4.607 764 HG21 VAL 100 1HG2 VAL 100 -6.273 3.886 -2.630 765 HG22 VAL 100 2HG2 VAL 100 -7.135 4.554 -4.016 766 HG23 VAL 100 3HG2 VAL 100 -7.139 5.414 -2.476 767 H GLU 101 H GLU 101 -11.668 4.642 -3.020 768 HA GLU 101 HA GLU 101 -12.932 2.937 -0.988 769 HB2 GLU 101 1HB GLU 101 -13.814 5.301 -1.771 770 HB3 GLU 101 2HB GLU 101 -14.503 4.365 -3.090 771 HG2 GLU 101 1HG GLU 101 -15.607 2.916 -1.397 772 HG3 GLU 101 2HG GLU 101 -15.027 4.017 -0.149 773 H THR 102 H THR 102 -13.199 0.873 -1.477 774 HA THR 102 HA THR 102 -12.581 -0.341 -3.877 775 HB THR 102 HB THR 102 -14.023 -2.263 -3.068 776 HG1 THR 102 1HG THR 102 -14.642 -1.904 -0.758 777 HG21 THR 102 1HG2 THR 102 -12.110 -1.166 -1.008 778 HG22 THR 102 2HG2 THR 102 -11.605 -1.957 -2.502 779 HG23 THR 102 3HG2 THR 102 -12.522 -2.856 -1.294 780 H GLY 103 H GLY 103 -14.356 -1.834 -5.009 781 HA2 GLY 103 1HA GLY 103 -16.086 0.020 -6.383 782 HA3 GLY 103 2HA GLY 103 -15.875 -1.684 -6.754 783 H LYS 104 H LYS 104 -17.958 0.615 -5.505 784 HA LYS 104 HA LYS 104 -19.369 -0.810 -3.545 785 HB2 LYS 104 1HB LYS 104 -19.937 1.520 -5.301 786 HB3 LYS 104 2HB LYS 104 -21.317 0.728 -4.552 787 HG2 LYS 104 1HG LYS 104 -19.990 0.973 -2.359 788 HG3 LYS 104 2HG LYS 104 -19.030 2.154 -3.254 789 HD2 LYS 104 1HD LYS 104 -22.006 2.359 -3.310 790 HD3 LYS 104 2HD LYS 104 -21.137 2.898 -1.872 791 HE2 LYS 104 1HE LYS 104 -19.721 4.320 -3.362 792 HE3 LYS 104 2HE LYS 104 -20.781 3.879 -4.700 793 HZ1 LYS 104 1HZ LYS 104 -21.149 5.875 -2.749 794 HZ2 LYS 104 2HZ LYS 104 -22.404 4.749 -2.618 795 HZ3 LYS 104 3HZ LYS 104 -22.112 5.522 -4.094 796 HA PRO 105 HA PRO 105 -21.590 -3.882 -5.767 797 HB2 PRO 105 1HB PRO 105 -23.816 -4.086 -4.227 798 HB3 PRO 105 2HB PRO 105 -22.238 -4.703 -3.722 799 HG2 PRO 105 1HG PRO 105 -23.597 -2.142 -2.977 800 HG3 PRO 105 2HG PRO 105 -22.701 -3.274 -1.947 801 HD2 PRO 105 1HD PRO 105 -21.612 -0.976 -2.877 802 HD3 PRO 105 2HD PRO 105 -20.653 -2.443 -2.601 803 H SER 106 H SER 106 -22.447 -0.700 -5.781 804 HA SER 106 HA SER 106 -25.066 -0.497 -6.561 805 HB2 SER 106 1HB SER 106 -22.611 1.004 -7.447 806 HB3 SER 106 2HB SER 106 -24.206 1.408 -8.083 807 HG SER 106 HG SER 106 -23.685 1.238 -5.309 808 H GLY 107 H GLY 107 -22.280 -1.241 -8.647 809 HA2 GLY 107 1HA GLY 107 -23.169 -3.163 -10.233 810 HA3 GLY 107 2HA GLY 107 -24.083 -1.807 -10.875 811 HA PRO 108 HA PRO 108 -19.887 -2.158 -12.965 812 HB2 PRO 108 1HB PRO 108 -20.837 -2.543 -15.479 813 HB3 PRO 108 2HB PRO 108 -20.513 -3.873 -14.361 814 HG2 PRO 108 1HG PRO 108 -23.115 -2.553 -15.030 815 HG3 PRO 108 2HG PRO 108 -22.753 -4.278 -14.833 816 HD2 PRO 108 1HD PRO 108 -23.933 -2.805 -12.891 817 HD3 PRO 108 2HD PRO 108 -22.847 -4.163 -12.533 818 H SER 109 H SER 109 -19.270 -0.873 -15.041 819 HA SER 109 HA SER 109 -20.896 1.509 -15.437 820 HB2 SER 109 1HB SER 109 -19.498 2.131 -13.535 821 HB3 SER 109 2HB SER 109 -18.050 1.634 -14.410 822 HG SER 109 HG SER 109 -19.063 3.281 -16.032 823 H SER 110 H SER 110 -20.457 2.610 -17.354 824 HA SER 110 HA SER 110 -18.546 1.272 -19.157 825 HB2 SER 110 1HB SER 110 -21.237 2.460 -19.875 826 HB3 SER 110 2HB SER 110 -20.095 1.746 -21.014 827 HG SER 110 HG SER 110 -21.878 0.373 -20.159 828 H GLY 111 H GLY 111 -16.927 2.564 -19.705 829 HA2 GLY 111 1HA GLY 111 -17.476 5.459 -19.945 830 HA3 GLY 111 2HA GLY 111 -15.978 4.828 -19.278 Start of MODEL 13 1 H1 GLY 1 H GLY 1 15.412 -6.615 14.058 2 HA2 GLY 1 1HA GLY 1 14.396 -7.435 16.279 3 HA3 GLY 1 2HA GLY 1 16.080 -7.655 16.730 4 H SER 2 H SER 2 13.864 -5.862 17.731 5 HA SER 2 HA SER 2 14.777 -3.196 17.109 6 HB2 SER 2 1HB SER 2 12.820 -4.116 19.229 7 HB3 SER 2 2HB SER 2 13.054 -2.457 18.677 8 HG SER 2 HG SER 2 12.466 -3.319 16.535 9 H SER 3 H SER 3 16.411 -5.366 18.597 10 HA SER 3 HA SER 3 16.899 -4.287 21.194 11 HB2 SER 3 1HB SER 3 18.268 -6.336 19.473 12 HB3 SER 3 2HB SER 3 19.025 -5.771 20.963 13 HG SER 3 HG SER 3 16.990 -6.359 22.004 14 H GLY 4 H GLY 4 18.832 -4.304 18.193 15 HA2 GLY 4 1HA GLY 4 19.634 -1.623 18.390 16 HA3 GLY 4 2HA GLY 4 20.871 -2.617 19.145 17 H SER 5 H SER 5 19.159 -1.965 16.143 18 HA SER 5 HA SER 5 20.965 -3.640 14.612 19 HB2 SER 5 1HB SER 5 18.524 -3.414 14.054 20 HB3 SER 5 2HB SER 5 18.843 -1.746 13.580 21 HG SER 5 HG SER 5 20.533 -3.599 12.447 22 H SER 6 H SER 6 22.397 -2.892 13.021 23 HA SER 6 HA SER 6 22.924 -0.037 12.843 24 HB2 SER 6 1HB SER 6 24.269 -0.815 14.784 25 HB3 SER 6 2HB SER 6 25.081 -1.970 13.727 26 HG SER 6 HG SER 6 25.262 0.832 13.783 27 H GLY 7 H GLY 7 23.013 0.334 10.733 28 HA2 GLY 7 1HA GLY 7 24.859 -1.102 9.059 29 HA3 GLY 7 2HA GLY 7 23.179 -1.455 8.683 30 H GLN 8 H GLN 8 22.379 -0.282 7.086 31 HA GLN 8 HA GLN 8 23.625 2.295 6.463 32 HB2 GLN 8 1HB GLN 8 21.814 0.509 4.832 33 HB3 GLN 8 2HB GLN 8 22.410 2.072 4.290 34 HG2 GLN 8 1HG GLN 8 24.748 1.046 4.795 35 HG3 GLN 8 2HG GLN 8 23.887 -0.488 4.679 36 HE21 GLN 8 1HE2 GLN 8 25.928 0.210 2.946 37 HE22 GLN 8 2HE2 GLN 8 25.273 0.429 1.362 38 H ALA 9 H ALA 9 22.152 4.029 5.649 39 HA ALA 9 HA ALA 9 20.186 4.619 7.608 40 HB1 ALA 9 1HB ALA 9 21.677 6.178 6.091 41 HB2 ALA 9 2HB ALA 9 20.258 6.123 5.045 42 HB3 ALA 9 3HB ALA 9 20.110 6.713 6.700 43 H ALA 10 H ALA 10 17.952 4.763 7.432 44 HA ALA 10 HA ALA 10 16.647 2.772 5.968 45 HB1 ALA 10 1HB ALA 10 15.925 4.193 8.068 46 HB2 ALA 10 2HB ALA 10 15.117 5.169 6.840 47 HB3 ALA 10 3HB ALA 10 14.728 3.456 7.002 48 HA PRO 11 HA PRO 11 15.992 4.468 1.969 49 HB2 PRO 11 1HB PRO 11 13.610 3.336 1.325 50 HB3 PRO 11 2HB PRO 11 15.122 2.423 1.385 51 HG2 PRO 11 1HG PRO 11 12.944 2.618 3.430 52 HG3 PRO 11 2HG PRO 11 13.844 1.190 2.887 53 HD2 PRO 11 1HD PRO 11 14.421 2.484 5.194 54 HD3 PRO 11 2HD PRO 11 15.663 1.673 4.218 55 H SER 12 H SER 12 14.703 5.938 0.755 56 HA SER 12 HA SER 12 13.489 7.971 2.301 57 HB2 SER 12 1HB SER 12 14.642 8.070 -0.053 58 HB3 SER 12 2HB SER 12 13.016 7.738 -0.651 59 HG SER 12 HG SER 12 14.050 10.022 0.492 60 H GLN 13 H GLN 13 11.405 8.410 2.769 61 HA GLN 13 HA GLN 13 9.478 6.345 2.591 62 HB2 GLN 13 1HB GLN 13 9.389 7.882 4.435 63 HB3 GLN 13 2HB GLN 13 9.237 9.257 3.349 64 HG2 GLN 13 1HG GLN 13 7.072 8.004 2.570 65 HG3 GLN 13 2HG GLN 13 7.206 7.240 4.153 66 HE21 GLN 13 1HE2 GLN 13 5.540 9.479 2.700 67 HE22 GLN 13 2HE2 GLN 13 5.381 10.670 3.942 68 H VAL 14 H VAL 14 8.450 5.755 0.807 69 HA VAL 14 HA VAL 14 8.350 7.134 -1.592 70 HB VAL 14 HB VAL 14 6.321 5.135 -0.583 71 HG11 VAL 14 1HG1 VAL 14 5.258 5.552 -2.492 72 HG12 VAL 14 2HG1 VAL 14 6.556 6.606 -3.057 73 HG13 VAL 14 3HG1 VAL 14 6.648 4.866 -3.333 74 HG21 VAL 14 1HG2 VAL 14 8.134 3.801 -0.525 75 HG22 VAL 14 2HG2 VAL 14 7.931 3.766 -2.276 76 HG23 VAL 14 3HG2 VAL 14 9.089 4.877 -1.545 77 H VAL 15 H VAL 15 7.340 8.925 -2.189 78 HA VAL 15 HA VAL 15 4.890 9.710 -0.749 79 HB VAL 15 HB VAL 15 5.475 12.060 -1.464 80 HG11 VAL 15 1HG1 VAL 15 7.247 12.315 0.300 81 HG12 VAL 15 2HG1 VAL 15 5.798 11.447 0.812 82 HG13 VAL 15 3HG1 VAL 15 7.271 10.557 0.429 83 HG21 VAL 15 1HG2 VAL 15 7.031 11.557 -3.242 84 HG22 VAL 15 2HG2 VAL 15 7.853 12.489 -1.991 85 HG23 VAL 15 3HG2 VAL 15 8.115 10.749 -2.110 86 H VAL 16 H VAL 16 5.442 8.123 -3.321 87 HA VAL 16 HA VAL 16 3.579 9.660 -5.007 88 HB VAL 16 HB VAL 16 5.683 9.818 -6.121 89 HG11 VAL 16 1HG1 VAL 16 7.133 7.986 -6.582 90 HG12 VAL 16 2HG1 VAL 16 6.728 7.911 -4.866 91 HG13 VAL 16 3HG1 VAL 16 5.943 6.819 -6.007 92 HG21 VAL 16 1HG2 VAL 16 4.505 9.504 -7.982 93 HG22 VAL 16 2HG2 VAL 16 5.044 7.825 -7.962 94 HG23 VAL 16 3HG2 VAL 16 3.509 8.266 -7.216 95 H ILE 17 H ILE 17 1.708 8.607 -4.991 96 HA ILE 17 HA ILE 17 1.705 5.740 -5.570 97 HB ILE 17 HB ILE 17 0.252 7.000 -3.246 98 HG12 ILE 17 1HG1 ILE 17 2.048 4.579 -3.247 99 HG13 ILE 17 2HG1 ILE 17 2.681 6.208 -3.039 100 HG21 ILE 17 1HG2 ILE 17 -1.381 5.525 -3.537 101 HG22 ILE 17 2HG2 ILE 17 -0.545 4.812 -4.916 102 HG23 ILE 17 3HG2 ILE 17 -0.208 4.232 -3.285 103 HD11 ILE 17 1HD1 ILE 17 2.298 4.965 -0.923 104 HD12 ILE 17 2HD1 ILE 17 1.440 6.503 -1.025 105 HD13 ILE 17 3HD1 ILE 17 0.571 4.990 -1.278 106 H ARG 18 H ARG 18 0.073 5.098 -6.883 107 HA ARG 18 HA ARG 18 -2.094 7.006 -7.430 108 HB2 ARG 18 1HB ARG 18 -0.603 5.459 -9.556 109 HB3 ARG 18 2HB ARG 18 -1.906 6.612 -9.814 110 HG2 ARG 18 1HG ARG 18 -0.564 8.427 -9.436 111 HG3 ARG 18 2HG ARG 18 0.551 7.525 -8.408 112 HD2 ARG 18 1HD ARG 18 1.817 7.788 -10.307 113 HD3 ARG 18 2HD ARG 18 1.065 6.223 -10.615 114 HE ARG 18 HE ARG 18 -0.668 7.818 -11.813 115 HH11 ARG 18 2HH1 ARG 18 2.812 7.894 -11.860 116 HH12 ARG 18 1HH1 ARG 18 2.906 8.576 -13.449 117 HH21 ARG 18 2HH2 ARG 18 -0.558 8.716 -13.907 118 HH22 ARG 18 1HH2 ARG 18 0.988 9.044 -14.613 119 H GLN 19 H GLN 19 -4.032 6.069 -8.261 120 HA GLN 19 HA GLN 19 -4.343 3.265 -7.462 121 HB2 GLN 19 1HB GLN 19 -5.852 4.715 -6.308 122 HB3 GLN 19 2HB GLN 19 -6.332 5.508 -7.802 123 HG2 GLN 19 1HG GLN 19 -7.046 3.010 -8.408 124 HG3 GLN 19 2HG GLN 19 -7.203 2.931 -6.654 125 HE21 GLN 19 1HE2 GLN 19 -8.215 5.188 -5.856 126 HE22 GLN 19 2HE2 GLN 19 -9.719 5.554 -6.624 127 H GLU 20 H GLU 20 -4.088 1.892 -9.101 128 HA GLU 20 HA GLU 20 -4.459 2.569 -11.824 129 HB2 GLU 20 1HB GLU 20 -3.851 0.098 -10.296 130 HB3 GLU 20 2HB GLU 20 -4.513 -0.113 -11.911 131 HG2 GLU 20 1HG GLU 20 -2.061 1.497 -11.239 132 HG3 GLU 20 2HG GLU 20 -2.061 -0.146 -11.877 133 H ARG 21 H ARG 21 -6.286 0.252 -9.814 134 HA ARG 21 HA ARG 21 -8.791 1.185 -10.898 135 HB2 ARG 21 1HB ARG 21 -8.024 -1.691 -11.397 136 HB3 ARG 21 2HB ARG 21 -9.471 -0.856 -11.946 137 HG2 ARG 21 1HG ARG 21 -8.023 0.605 -13.343 138 HG3 ARG 21 2HG ARG 21 -6.648 -0.398 -12.878 139 HD2 ARG 21 1HD ARG 21 -9.129 -1.368 -14.293 140 HD3 ARG 21 2HD ARG 21 -7.574 -1.045 -15.060 141 HE ARG 21 HE ARG 21 -7.660 -3.007 -12.898 142 HH11 ARG 21 2HH1 ARG 21 -7.399 -2.312 -16.299 143 HH12 ARG 21 1HH1 ARG 21 -6.780 -3.878 -16.705 144 HH21 ARG 21 2HH2 ARG 21 -6.844 -5.073 -13.420 145 HH22 ARG 21 1HH2 ARG 21 -6.465 -5.448 -15.067 146 H ALA 22 H ALA 22 -10.477 0.766 -9.555 147 HA ALA 22 HA ALA 22 -9.851 -0.751 -7.115 148 HB1 ALA 22 1HB ALA 22 -10.558 1.105 -6.112 149 HB2 ALA 22 2HB ALA 22 -11.217 1.755 -7.614 150 HB3 ALA 22 3HB ALA 22 -12.184 0.657 -6.630 151 H GLY 23 H GLY 23 -10.536 -2.798 -7.327 152 HA2 GLY 23 1HA GLY 23 -13.151 -3.276 -8.594 153 HA3 GLY 23 2HA GLY 23 -11.882 -4.476 -8.401 154 H GLN 24 H GLN 24 -14.230 -5.350 -7.665 155 HA GLN 24 HA GLN 24 -15.204 -4.753 -5.128 156 HB2 GLN 24 1HB GLN 24 -15.358 -7.095 -6.948 157 HB3 GLN 24 2HB GLN 24 -15.799 -7.362 -5.266 158 HG2 GLN 24 1HG GLN 24 -17.660 -6.062 -5.398 159 HG3 GLN 24 2HG GLN 24 -16.984 -5.027 -6.654 160 HE21 GLN 24 1HE2 GLN 24 -19.421 -5.625 -7.166 161 HE22 GLN 24 2HE2 GLN 24 -19.594 -6.895 -8.324 162 H THR 25 H THR 25 -14.590 -5.222 -3.103 163 HA THR 25 HA THR 25 -13.058 -5.683 -1.449 164 HB THR 25 HB THR 25 -12.946 -7.978 -0.898 165 HG1 THR 25 1HG THR 25 -13.692 -8.786 -3.501 166 HG21 THR 25 1HG2 THR 25 -15.206 -7.247 -0.766 167 HG22 THR 25 2HG2 THR 25 -15.238 -8.846 -1.511 168 HG23 THR 25 3HG2 THR 25 -15.428 -7.403 -2.508 169 H SER 26 H SER 26 -11.827 -4.807 -3.931 170 HA SER 26 HA SER 26 -9.138 -5.714 -3.379 171 HB2 SER 26 1HB SER 26 -10.629 -6.561 -5.791 172 HB3 SER 26 2HB SER 26 -8.993 -5.967 -6.073 173 HG SER 26 HG SER 26 -9.736 -8.031 -4.269 174 H VAL 27 H VAL 27 -7.510 -4.412 -4.463 175 HA VAL 27 HA VAL 27 -8.343 -2.054 -5.899 176 HB VAL 27 HB VAL 27 -7.219 -1.811 -3.108 177 HG11 VAL 27 1HG1 VAL 27 -7.576 0.735 -3.854 178 HG12 VAL 27 2HG1 VAL 27 -6.041 -0.116 -4.042 179 HG13 VAL 27 3HG1 VAL 27 -7.139 0.038 -5.414 180 HG21 VAL 27 1HG2 VAL 27 -9.230 -0.333 -2.824 181 HG22 VAL 27 2HG2 VAL 27 -9.788 -0.906 -4.395 182 HG23 VAL 27 3HG2 VAL 27 -9.589 -2.043 -3.062 183 H SER 28 H SER 28 -6.783 -1.428 -7.260 184 HA SER 28 HA SER 28 -4.139 -2.661 -6.961 185 HB2 SER 28 1HB SER 28 -5.400 -3.045 -9.079 186 HB3 SER 28 2HB SER 28 -5.334 -1.311 -9.394 187 HG SER 28 HG SER 28 -2.906 -1.795 -9.005 188 H LEU 29 H LEU 29 -2.349 -1.493 -6.612 189 HA LEU 29 HA LEU 29 -2.607 1.443 -6.645 190 HB2 LEU 29 1HB LEU 29 -0.900 -0.307 -4.882 191 HB3 LEU 29 2HB LEU 29 -0.850 1.455 -4.902 192 HG LEU 29 HG LEU 29 -3.279 -0.165 -4.146 193 HD11 LEU 29 1HD1 LEU 29 -1.283 -0.420 -2.617 194 HD12 LEU 29 2HD1 LEU 29 -2.756 0.203 -1.876 195 HD13 LEU 29 3HD1 LEU 29 -1.439 1.304 -2.278 196 HD21 LEU 29 1HD2 LEU 29 -2.620 2.759 -4.173 197 HD22 LEU 29 2HD2 LEU 29 -3.845 2.108 -3.084 198 HD23 LEU 29 3HD2 LEU 29 -4.032 1.931 -4.830 199 H LEU 30 H LEU 30 -0.687 2.656 -7.181 200 HA LEU 30 HA LEU 30 1.401 1.182 -8.603 201 HB2 LEU 30 1HB LEU 30 -0.624 2.166 -10.038 202 HB3 LEU 30 2HB LEU 30 0.368 3.619 -9.935 203 HG LEU 30 HG LEU 30 2.250 2.337 -10.933 204 HD11 LEU 30 1HD1 LEU 30 1.511 0.099 -10.256 205 HD12 LEU 30 2HD1 LEU 30 1.805 0.200 -11.991 206 HD13 LEU 30 3HD1 LEU 30 0.153 0.217 -11.375 207 HD21 LEU 30 1HD2 LEU 30 0.681 3.755 -12.259 208 HD22 LEU 30 2HD2 LEU 30 -0.236 2.296 -12.635 209 HD23 LEU 30 3HD2 LEU 30 1.435 2.451 -13.177 210 H TRP 31 H TRP 31 3.198 1.792 -7.599 211 HA TRP 31 HA TRP 31 3.643 4.667 -7.171 212 HB2 TRP 31 1HB TRP 31 4.692 4.235 -5.027 213 HB3 TRP 31 2HB TRP 31 3.059 3.575 -5.019 214 HD1 TRP 31 HD TRP 31 6.705 2.539 -4.795 215 HE1 TRP 31 1HE TRP 31 6.833 0.044 -4.178 216 HE3 TRP 31 3HE TRP 31 1.764 1.327 -5.291 217 HZ2 TRP 31 2HZ TRP 31 5.072 -2.149 -3.934 218 HZ3 TRP 31 3HZ TRP 31 1.068 -0.992 -4.848 219 HH2 TRP 31 HH TRP 31 2.690 -2.692 -4.184 220 H GLN 32 H GLN 32 5.608 5.410 -7.765 221 HA GLN 32 HA GLN 32 7.399 3.519 -9.068 222 HB2 GLN 32 1HB GLN 32 8.347 5.360 -10.185 223 HB3 GLN 32 2HB GLN 32 6.628 5.719 -10.109 224 HG2 GLN 32 1HG GLN 32 6.920 7.342 -8.455 225 HG3 GLN 32 2HG GLN 32 8.538 6.768 -8.055 226 HE21 GLN 32 1HE2 GLN 32 9.996 8.202 -8.620 227 HE22 GLN 32 2HE2 GLN 32 10.000 9.140 -10.070 228 H GLU 33 H GLU 33 9.740 3.693 -8.749 229 HA GLU 33 HA GLU 33 10.516 3.305 -6.126 230 HB2 GLU 33 1HB GLU 33 11.962 3.870 -8.665 231 HB3 GLU 33 2HB GLU 33 12.867 4.028 -7.166 232 HG2 GLU 33 1HG GLU 33 12.790 1.798 -6.715 233 HG3 GLU 33 2HG GLU 33 11.264 1.565 -7.567 234 HA PRO 34 HA PRO 34 10.766 7.309 -4.318 235 HB2 PRO 34 1HB PRO 34 12.555 6.783 -2.346 236 HB3 PRO 34 2HB PRO 34 10.879 6.224 -2.296 237 HG2 PRO 34 1HG PRO 34 13.352 4.732 -3.087 238 HG3 PRO 34 2HG PRO 34 11.991 4.192 -2.086 239 HD2 PRO 34 1HD PRO 34 12.245 3.505 -4.693 240 HD3 PRO 34 2HD PRO 34 10.666 3.731 -3.915 241 H GLU 35 H GLU 35 12.620 8.791 -3.386 242 HA GLU 35 HA GLU 35 14.349 9.369 -5.586 243 HB2 GLU 35 1HB GLU 35 14.293 10.581 -2.816 244 HB3 GLU 35 2HB GLU 35 15.127 11.245 -4.214 245 HG2 GLU 35 1HG GLU 35 12.872 11.360 -5.344 246 HG3 GLU 35 2HG GLU 35 12.169 11.002 -3.768 247 H GLN 36 H GLN 36 15.164 8.859 -2.150 248 HA GLN 36 HA GLN 36 17.692 7.637 -3.037 249 HB2 GLN 36 1HB GLN 36 17.012 9.167 -0.526 250 HB3 GLN 36 2HB GLN 36 18.501 8.252 -0.718 251 HG2 GLN 36 1HG GLN 36 19.062 10.465 -1.221 252 HG3 GLN 36 2HG GLN 36 18.933 9.653 -2.781 253 HE21 GLN 36 1HE2 GLN 36 18.258 11.159 -4.146 254 HE22 GLN 36 2HE2 GLN 36 16.875 12.171 -3.924 255 HA PRO 37 HA PRO 37 15.618 4.006 -1.318 256 HB2 PRO 37 1HB PRO 37 17.300 2.228 -2.493 257 HB3 PRO 37 2HB PRO 37 15.947 2.980 -3.347 258 HG2 PRO 37 1HG PRO 37 18.852 3.703 -3.390 259 HG3 PRO 37 2HG PRO 37 17.703 3.606 -4.737 260 HD2 PRO 37 1HD PRO 37 18.413 5.956 -3.595 261 HD3 PRO 37 2HD PRO 37 16.800 5.677 -4.282 262 H ASN 38 H ASN 38 18.956 5.008 -1.158 263 HA ASN 38 HA ASN 38 20.637 4.603 0.325 264 HB2 ASN 38 1HB ASN 38 18.145 4.538 1.971 265 HB3 ASN 38 2HB ASN 38 19.661 4.064 2.732 266 HD21 ASN 38 1HD2 ASN 38 17.932 6.372 3.217 267 HD22 ASN 38 2HD2 ASN 38 18.932 7.765 3.002 268 H GLY 39 H GLY 39 20.183 2.441 -1.278 269 HA2 GLY 39 1HA GLY 39 21.506 0.369 -0.793 270 HA3 GLY 39 2HA GLY 39 20.429 0.155 0.579 271 H ILE 40 H ILE 40 20.232 -1.985 -0.589 272 HA ILE 40 HA ILE 40 18.536 -1.949 -2.944 273 HB ILE 40 HB ILE 40 19.660 -4.240 -1.331 274 HG12 ILE 40 1HG1 ILE 40 20.757 -4.502 -3.756 275 HG13 ILE 40 2HG1 ILE 40 20.492 -2.761 -3.778 276 HG21 ILE 40 1HG2 ILE 40 18.253 -5.623 -2.345 277 HG22 ILE 40 2HG2 ILE 40 17.436 -4.237 -3.066 278 HG23 ILE 40 3HG2 ILE 40 18.762 -5.022 -3.923 279 HD11 ILE 40 1HD1 ILE 40 22.212 -4.369 -1.929 280 HD12 ILE 40 2HD1 ILE 40 22.664 -3.027 -2.981 281 HD13 ILE 40 3HD1 ILE 40 21.701 -2.729 -1.535 282 H ILE 41 H ILE 41 16.390 -2.080 -2.926 283 HA ILE 41 HA ILE 41 15.016 -2.406 -0.383 284 HB ILE 41 HB ILE 41 13.886 -1.754 -3.108 285 HG12 ILE 41 1HG1 ILE 41 14.125 0.208 -0.860 286 HG13 ILE 41 2HG1 ILE 41 15.536 -0.128 -1.856 287 HG21 ILE 41 1HG2 ILE 41 12.157 -2.685 -1.785 288 HG22 ILE 41 2HG2 ILE 41 12.668 -1.785 -0.358 289 HG23 ILE 41 3HG2 ILE 41 11.943 -0.935 -1.723 290 HD11 ILE 41 1HD1 ILE 41 13.393 0.314 -3.619 291 HD12 ILE 41 2HD1 ILE 41 13.321 1.579 -2.391 292 HD13 ILE 41 3HD1 ILE 41 14.797 1.340 -3.327 293 H LEU 42 H LEU 42 14.850 -4.500 0.194 294 HA LEU 42 HA LEU 42 14.678 -6.717 -1.452 295 HB2 LEU 42 1HB LEU 42 13.366 -6.428 1.244 296 HB3 LEU 42 2HB LEU 42 13.856 -7.929 0.461 297 HG LEU 42 HG LEU 42 15.831 -5.805 1.260 298 HD11 LEU 42 1HD1 LEU 42 14.255 -7.323 3.013 299 HD12 LEU 42 2HD1 LEU 42 15.694 -6.379 3.396 300 HD13 LEU 42 3HD1 LEU 42 15.844 -8.089 2.991 301 HD21 LEU 42 1HD2 LEU 42 16.118 -7.977 -0.353 302 HD22 LEU 42 2HD2 LEU 42 16.564 -8.643 1.218 303 HD23 LEU 42 3HD2 LEU 42 17.418 -7.237 0.581 304 H GLU 43 H GLU 43 11.960 -5.110 0.214 305 HA GLU 43 HA GLU 43 10.253 -5.510 -2.076 306 HB2 GLU 43 1HB GLU 43 8.547 -6.803 -0.867 307 HB3 GLU 43 2HB GLU 43 10.057 -7.691 -1.010 308 HG2 GLU 43 1HG GLU 43 10.547 -6.705 1.345 309 HG3 GLU 43 2HG GLU 43 8.801 -6.470 1.402 310 H TYR 44 H TYR 44 7.933 -4.764 -1.480 311 HA TYR 44 HA TYR 44 8.207 -2.340 0.165 312 HB2 TYR 44 1HB TYR 44 6.578 -2.971 -2.276 313 HB3 TYR 44 2HB TYR 44 6.097 -1.665 -1.199 314 HD1 TYR 44 1HD TYR 44 8.654 -2.822 -3.568 315 HD2 TYR 44 2HD TYR 44 7.368 0.381 -1.081 316 HE1 TYR 44 1HE TYR 44 10.232 -1.315 -4.703 317 HE2 TYR 44 2HE TYR 44 8.941 1.897 -2.210 318 HH TYR 44 HH TYR 44 11.280 0.716 -4.540 319 H GLU 45 H GLU 45 6.367 -1.651 1.420 320 HA GLU 45 HA GLU 45 4.639 -3.893 2.245 321 HB2 GLU 45 1HB GLU 45 6.516 -2.929 3.839 322 HB3 GLU 45 2HB GLU 45 5.309 -1.687 4.143 323 HG2 GLU 45 1HG GLU 45 3.917 -3.106 5.242 324 HG3 GLU 45 2HG GLU 45 4.441 -4.514 4.319 325 H ILE 46 H ILE 46 2.511 -3.557 2.167 326 HA ILE 46 HA ILE 46 1.562 -0.788 1.812 327 HB ILE 46 HB ILE 46 0.325 -3.308 0.695 328 HG12 ILE 46 1HG1 ILE 46 1.423 -1.104 -0.997 329 HG13 ILE 46 2HG1 ILE 46 2.550 -2.248 -0.277 330 HG21 ILE 46 1HG2 ILE 46 -1.532 -2.122 0.447 331 HG22 ILE 46 2HG2 ILE 46 -0.758 -0.720 1.184 332 HG23 ILE 46 3HG2 ILE 46 -0.650 -0.972 -0.558 333 HD11 ILE 46 1HD1 ILE 46 0.240 -3.448 -1.635 334 HD12 ILE 46 2HD1 ILE 46 1.374 -2.581 -2.672 335 HD13 ILE 46 3HD1 ILE 46 1.943 -3.907 -1.657 336 H LYS 47 H LYS 47 0.371 -0.055 3.430 337 HA LYS 47 HA LYS 47 -0.974 -1.983 5.193 338 HB2 LYS 47 1HB LYS 47 0.518 -0.612 6.434 339 HB3 LYS 47 2HB LYS 47 -0.029 0.847 5.620 340 HG2 LYS 47 1HG LYS 47 -2.050 0.886 6.805 341 HG3 LYS 47 2HG LYS 47 -1.865 -0.785 7.341 342 HD2 LYS 47 1HD LYS 47 -0.225 -0.226 8.906 343 HD3 LYS 47 2HD LYS 47 0.120 1.321 8.129 344 HE2 LYS 47 1HE LYS 47 -2.595 0.804 9.264 345 HE3 LYS 47 2HE LYS 47 -1.268 1.233 10.342 346 HZ1 LYS 47 1HZ LYS 47 -2.334 3.233 9.752 347 HZ2 LYS 47 2HZ LYS 47 -2.378 2.833 8.109 348 HZ3 LYS 47 3HZ LYS 47 -0.902 3.200 8.850 349 H TYR 48 H TYR 48 -3.106 -2.175 5.088 350 HA TYR 48 HA TYR 48 -4.694 0.120 4.160 351 HB2 TYR 48 1HB TYR 48 -6.168 -1.477 2.939 352 HB3 TYR 48 2HB TYR 48 -4.540 -1.382 2.276 353 HD1 TYR 48 2HD TYR 48 -6.931 -3.483 4.094 354 HD2 TYR 48 1HD TYR 48 -3.023 -3.265 2.426 355 HE1 TYR 48 2HE TYR 48 -6.714 -5.925 4.297 356 HE2 TYR 48 1HE TYR 48 -2.796 -5.706 2.623 357 HH TYR 48 HH TYR 48 -5.454 -7.745 3.359 358 H TYR 49 H TYR 49 -6.519 0.520 5.286 359 HA TYR 49 HA TYR 49 -7.708 -1.506 6.979 360 HB2 TYR 49 1HB TYR 49 -7.465 -0.305 9.052 361 HB3 TYR 49 2HB TYR 49 -5.863 -0.527 8.356 362 HD1 TYR 49 1HD TYR 49 -8.634 1.969 8.511 363 HD2 TYR 49 2HD TYR 49 -4.446 1.300 8.174 364 HE1 TYR 49 1HE TYR 49 -8.241 4.392 8.664 365 HE2 TYR 49 2HE TYR 49 -4.041 3.721 8.327 366 HH TYR 49 HH TYR 49 -5.019 5.716 8.956 367 H GLU 50 H GLU 50 -9.767 -0.868 7.847 368 HA GLU 50 HA GLU 50 -11.406 0.487 6.083 369 HB2 GLU 50 1HB GLU 50 -11.655 -0.444 8.884 370 HB3 GLU 50 2HB GLU 50 -12.817 0.768 8.363 371 HG2 GLU 50 1HG GLU 50 -13.766 -0.625 6.786 372 HG3 GLU 50 2HG GLU 50 -12.341 -1.658 6.692 373 H LYS 51 H LYS 51 -11.212 2.538 5.475 374 HA LYS 51 HA LYS 51 -9.924 4.589 6.788 375 HB2 LYS 51 1HB LYS 51 -10.426 4.960 4.528 376 HB3 LYS 51 2HB LYS 51 -12.127 4.573 4.746 377 HG2 LYS 51 1HG LYS 51 -12.119 6.874 4.467 378 HG3 LYS 51 2HG LYS 51 -12.211 6.673 6.218 379 HD2 LYS 51 1HD LYS 51 -9.715 6.928 6.281 380 HD3 LYS 51 2HD LYS 51 -9.782 7.360 4.571 381 HE2 LYS 51 1HE LYS 51 -11.259 8.799 6.772 382 HE3 LYS 51 2HE LYS 51 -9.721 9.322 6.087 383 HZ1 LYS 51 1HZ LYS 51 -12.298 9.841 5.139 384 HZ2 LYS 51 2HZ LYS 51 -11.520 8.876 3.988 385 HZ3 LYS 51 3HZ LYS 51 -10.822 10.337 4.477 386 H ASP 52 H ASP 52 -13.424 3.923 6.782 387 HA ASP 52 HA ASP 52 -14.011 5.970 8.680 388 HB2 ASP 52 1HB ASP 52 -15.611 3.626 7.649 389 HB3 ASP 52 2HB ASP 52 -16.252 4.795 8.800 390 H LYS 53 H LYS 53 -13.563 2.468 8.869 391 HA LYS 53 HA LYS 53 -13.781 2.618 11.794 392 HB2 LYS 53 1HB LYS 53 -13.678 0.148 10.056 393 HB3 LYS 53 2HB LYS 53 -14.071 0.219 11.769 394 HG2 LYS 53 1HG LYS 53 -15.725 1.684 9.750 395 HG3 LYS 53 2HG LYS 53 -15.981 -0.032 10.072 396 HD2 LYS 53 1HD LYS 53 -16.465 0.403 12.375 397 HD3 LYS 53 2HD LYS 53 -15.982 2.093 12.210 398 HE2 LYS 53 1HE LYS 53 -17.886 2.648 11.000 399 HE3 LYS 53 2HE LYS 53 -18.193 0.977 10.530 400 HZ1 LYS 53 1HZ LYS 53 -19.511 0.738 12.274 401 HZ2 LYS 53 2HZ LYS 53 -19.292 2.369 12.667 402 HZ3 LYS 53 3HZ LYS 53 -18.276 1.194 13.337 403 H GLU 54 H GLU 54 -11.893 3.022 12.747 404 HA GLU 54 HA GLU 54 -9.420 2.015 11.570 405 HB2 GLU 54 1HB GLU 54 -9.949 3.924 13.850 406 HB3 GLU 54 2HB GLU 54 -8.340 3.404 13.368 407 HG2 GLU 54 1HG GLU 54 -8.602 4.418 11.206 408 HG3 GLU 54 2HG GLU 54 -10.281 4.821 11.558 409 H MET 55 H MET 55 -9.134 -0.089 12.055 410 HA MET 55 HA MET 55 -9.702 -1.061 14.740 411 HB2 MET 55 1HB MET 55 -8.664 -2.565 12.332 412 HB3 MET 55 2HB MET 55 -9.246 -3.276 13.831 413 HG2 MET 55 1HG MET 55 -11.436 -2.899 13.328 414 HG3 MET 55 2HG MET 55 -11.079 -1.493 12.328 415 HE1 MET 55 1HE MET 55 -9.814 -1.534 10.351 416 HE2 MET 55 2HE MET 55 -9.124 -2.971 9.598 417 HE3 MET 55 3HE MET 55 -10.676 -2.343 9.041 418 H GLN 56 H GLN 56 -8.171 -1.924 16.133 419 HA GLN 56 HA GLN 56 -5.667 -0.688 16.213 420 HB2 GLN 56 1HB GLN 56 -6.551 -3.229 17.591 421 HB3 GLN 56 2HB GLN 56 -5.140 -2.272 18.024 422 HG2 GLN 56 1HG GLN 56 -8.001 -1.344 18.149 423 HG3 GLN 56 2HG GLN 56 -7.016 -1.852 19.520 424 HE21 GLN 56 1HE2 GLN 56 -5.532 -0.468 20.372 425 HE22 GLN 56 2HE2 GLN 56 -5.362 1.177 19.875 426 H SER 57 H SER 57 -6.599 -3.924 15.120 427 HA SER 57 HA SER 57 -3.849 -4.469 14.299 428 HB2 SER 57 1HB SER 57 -4.625 -6.750 13.876 429 HB3 SER 57 2HB SER 57 -5.104 -6.235 15.493 430 HG SER 57 HG SER 57 -6.901 -7.125 14.613 431 H TYR 58 H TYR 58 -3.363 -3.472 12.435 432 HA TYR 58 HA TYR 58 -5.321 -3.379 10.276 433 HB2 TYR 58 1HB TYR 58 -3.724 -1.883 9.166 434 HB3 TYR 58 2HB TYR 58 -4.078 -1.330 10.799 435 HD1 TYR 58 1HD TYR 58 -1.540 -2.953 8.667 436 HD2 TYR 58 2HD TYR 58 -2.366 -1.204 12.457 437 HE1 TYR 58 1HE TYR 58 0.867 -2.916 9.168 438 HE2 TYR 58 2HE TYR 58 0.039 -1.161 12.967 439 HH TYR 58 HH TYR 58 2.078 -1.686 12.274 440 H SER 59 H SER 59 -4.817 -4.090 8.138 441 HA SER 59 HA SER 59 -3.144 -6.488 8.143 442 HB2 SER 59 1HB SER 59 -5.324 -5.499 6.306 443 HB3 SER 59 2HB SER 59 -4.298 -6.872 5.891 444 HG SER 59 HG SER 59 -5.641 -6.777 8.365 445 H THR 60 H THR 60 -1.360 -6.734 6.910 446 HA THR 60 HA THR 60 -0.564 -4.443 5.232 447 HB THR 60 HB THR 60 1.382 -6.332 6.545 448 HG1 THR 60 1HG THR 60 0.388 -5.391 8.275 449 HG21 THR 60 1HG2 THR 60 2.947 -5.080 5.563 450 HG22 THR 60 2HG2 THR 60 2.214 -3.592 6.162 451 HG23 THR 60 3HG2 THR 60 1.656 -4.302 4.647 452 H LEU 61 H LEU 61 0.474 -4.854 3.272 453 HA LEU 61 HA LEU 61 0.468 -7.655 2.370 454 HB2 LEU 61 1HB LEU 61 -1.483 -6.645 1.429 455 HB3 LEU 61 2HB LEU 61 -0.565 -5.232 0.913 456 HG LEU 61 HG LEU 61 0.712 -6.845 -0.611 457 HD11 LEU 61 1HD1 LEU 61 -1.724 -8.556 -0.457 458 HD12 LEU 61 2HD1 LEU 61 -0.405 -8.824 0.683 459 HD13 LEU 61 3HD1 LEU 61 -0.109 -8.943 -1.051 460 HD21 LEU 61 1HD2 LEU 61 -0.824 -6.507 -2.363 461 HD22 LEU 61 2HD2 LEU 61 -1.077 -5.162 -1.251 462 HD23 LEU 61 3HD2 LEU 61 -2.204 -6.519 -1.265 463 H LYS 62 H LYS 62 2.336 -8.299 1.528 464 HA LYS 62 HA LYS 62 4.423 -6.325 1.049 465 HB2 LYS 62 1HB LYS 62 4.365 -9.296 1.421 466 HB3 LYS 62 2HB LYS 62 5.757 -8.548 0.648 467 HG2 LYS 62 1HG LYS 62 6.384 -8.663 2.871 468 HG3 LYS 62 2HG LYS 62 5.799 -7.005 2.709 469 HD2 LYS 62 1HD LYS 62 3.823 -7.460 3.854 470 HD3 LYS 62 2HD LYS 62 3.954 -9.200 3.583 471 HE2 LYS 62 1HE LYS 62 5.953 -9.209 5.071 472 HE3 LYS 62 2HE LYS 62 5.641 -7.511 5.425 473 HZ1 LYS 62 1HZ LYS 62 4.613 -8.616 7.156 474 HZ2 LYS 62 2HZ LYS 62 4.052 -9.877 6.178 475 HZ3 LYS 62 3HZ LYS 62 3.324 -8.352 6.093 476 H ALA 63 H ALA 63 5.530 -6.086 -0.889 477 HA ALA 63 HA ALA 63 4.596 -7.576 -3.219 478 HB1 ALA 63 1HB ALA 63 4.505 -5.256 -4.420 479 HB2 ALA 63 2HB ALA 63 3.114 -5.841 -3.505 480 HB3 ALA 63 3HB ALA 63 4.201 -4.650 -2.791 481 H VAL 64 H VAL 64 6.208 -8.031 -4.590 482 HA VAL 64 HA VAL 64 8.866 -7.070 -3.978 483 HB VAL 64 HB VAL 64 9.617 -8.637 -5.721 484 HG11 VAL 64 1HG1 VAL 64 9.396 -10.482 -4.400 485 HG12 VAL 64 2HG1 VAL 64 8.838 -9.253 -3.263 486 HG13 VAL 64 3HG1 VAL 64 7.669 -10.233 -4.149 487 HG21 VAL 64 1HG2 VAL 64 8.080 -8.808 -7.391 488 HG22 VAL 64 2HG2 VAL 64 7.620 -10.232 -6.458 489 HG23 VAL 64 3HG2 VAL 64 6.707 -8.733 -6.287 490 H THR 65 H THR 65 6.497 -6.737 -6.560 491 HA THR 65 HA THR 65 8.316 -5.030 -8.084 492 HB THR 65 HB THR 65 7.089 -6.698 -9.367 493 HG1 THR 65 1HG THR 65 7.192 -5.151 -10.805 494 HG21 THR 65 1HG2 THR 65 5.020 -6.256 -7.648 495 HG22 THR 65 2HG2 THR 65 4.882 -7.111 -9.184 496 HG23 THR 65 3HG2 THR 65 4.471 -5.399 -9.087 497 H THR 66 H THR 66 7.185 -3.071 -9.137 498 HA THR 66 HA THR 66 6.266 -1.384 -6.991 499 HB THR 66 HB THR 66 6.212 0.397 -8.758 500 HG1 THR 66 1HG THR 66 7.059 -0.152 -10.800 501 HG21 THR 66 1HG2 THR 66 8.845 -1.044 -8.845 502 HG22 THR 66 2HG2 THR 66 8.254 -0.306 -7.356 503 HG23 THR 66 3HG2 THR 66 8.533 0.690 -8.784 504 H ARG 67 H ARG 67 4.612 -3.633 -8.382 505 HA ARG 67 HA ARG 67 2.145 -2.048 -8.496 506 HB2 ARG 67 1HB ARG 67 2.781 -4.281 -10.428 507 HB3 ARG 67 2HB ARG 67 1.344 -3.267 -10.421 508 HG2 ARG 67 1HG ARG 67 2.751 -1.312 -10.929 509 HG3 ARG 67 2HG ARG 67 4.159 -2.374 -11.007 510 HD2 ARG 67 1HD ARG 67 3.609 -2.305 -13.221 511 HD3 ARG 67 2HD ARG 67 2.635 -3.685 -12.717 512 HE ARG 67 HE ARG 67 0.931 -1.637 -12.386 513 HH11 ARG 67 2HH1 ARG 67 2.987 -2.559 -15.039 514 HH12 ARG 67 1HH1 ARG 67 1.937 -1.903 -16.251 515 HH21 ARG 67 2HH2 ARG 67 -0.459 -0.769 -13.972 516 HH22 ARG 67 1HH2 ARG 67 -0.023 -0.884 -15.643 517 H ALA 68 H ALA 68 0.538 -2.875 -7.312 518 HA ALA 68 HA ALA 68 0.385 -5.726 -6.788 519 HB1 ALA 68 1HB ALA 68 0.260 -5.375 -4.323 520 HB2 ALA 68 2HB ALA 68 1.856 -5.082 -5.015 521 HB3 ALA 68 3HB ALA 68 0.820 -3.722 -4.580 522 H THR 69 H THR 69 -1.617 -6.321 -5.657 523 HA THR 69 HA THR 69 -3.715 -4.272 -5.786 524 HB THR 69 HB THR 69 -3.911 -7.022 -7.028 525 HG1 THR 69 1HG THR 69 -4.472 -4.689 -8.447 526 HG21 THR 69 1HG2 THR 69 -5.979 -4.911 -6.476 527 HG22 THR 69 2HG2 THR 69 -6.033 -6.633 -6.100 528 HG23 THR 69 3HG2 THR 69 -6.182 -6.090 -7.771 529 H VAL 70 H VAL 70 -4.173 -4.141 -3.657 530 HA VAL 70 HA VAL 70 -4.145 -6.347 -1.872 531 HB VAL 70 HB VAL 70 -5.450 -3.639 -1.565 532 HG11 VAL 70 1HG1 VAL 70 -5.258 -4.184 0.892 533 HG12 VAL 70 2HG1 VAL 70 -6.482 -5.089 -0.001 534 HG13 VAL 70 3HG1 VAL 70 -4.946 -5.851 0.411 535 HG21 VAL 70 1HG2 VAL 70 -2.859 -3.974 -1.889 536 HG22 VAL 70 2HG2 VAL 70 -3.486 -2.844 -0.689 537 HG23 VAL 70 3HG2 VAL 70 -2.934 -4.442 -0.190 538 H SER 71 H SER 71 -5.491 -8.006 -2.299 539 HA SER 71 HA SER 71 -8.308 -7.421 -2.882 540 HB2 SER 71 1HB SER 71 -6.832 -10.054 -3.109 541 HB3 SER 71 2HB SER 71 -8.470 -9.719 -3.669 542 HG SER 71 HG SER 71 -6.605 -7.972 -4.649 543 H GLY 72 H GLY 72 -9.947 -8.817 -1.853 544 HA2 GLY 72 1HA GLY 72 -10.820 -10.026 -0.060 545 HA3 GLY 72 2HA GLY 72 -9.212 -10.092 0.646 546 H LEU 73 H LEU 73 -11.249 -7.344 -0.333 547 HA LEU 73 HA LEU 73 -11.053 -6.354 2.436 548 HB2 LEU 73 1HB LEU 73 -11.339 -4.677 -0.048 549 HB3 LEU 73 2HB LEU 73 -11.050 -4.110 1.596 550 HG LEU 73 HG LEU 73 -9.065 -5.821 0.121 551 HD11 LEU 73 1HD1 LEU 73 -8.664 -4.128 -1.259 552 HD12 LEU 73 2HD1 LEU 73 -8.120 -3.205 0.141 553 HD13 LEU 73 3HD1 LEU 73 -9.793 -3.078 -0.404 554 HD21 LEU 73 1HD2 LEU 73 -8.364 -3.795 2.173 555 HD22 LEU 73 2HD2 LEU 73 -7.627 -5.359 1.824 556 HD23 LEU 73 3HD2 LEU 73 -9.148 -5.278 2.716 557 H LYS 74 H LYS 74 -12.832 -4.566 2.771 558 HA LYS 74 HA LYS 74 -15.362 -5.910 2.368 559 HB2 LYS 74 1HB LYS 74 -14.356 -3.690 4.063 560 HB3 LYS 74 2HB LYS 74 -16.064 -3.652 3.643 561 HG2 LYS 74 1HG LYS 74 -16.535 -5.575 4.814 562 HG3 LYS 74 2HG LYS 74 -14.874 -6.165 4.722 563 HD2 LYS 74 1HD LYS 74 -15.339 -3.633 6.195 564 HD3 LYS 74 2HD LYS 74 -15.909 -5.123 6.949 565 HE2 LYS 74 1HE LYS 74 -13.165 -5.120 5.825 566 HE3 LYS 74 2HE LYS 74 -13.438 -4.190 7.297 567 HZ1 LYS 74 1HZ LYS 74 -12.897 -6.824 7.221 568 HZ2 LYS 74 2HZ LYS 74 -14.584 -6.836 7.337 569 HZ3 LYS 74 3HZ LYS 74 -13.662 -6.038 8.510 570 HA PRO 75 HA PRO 75 -16.419 -3.583 -1.250 571 HB2 PRO 75 1HB PRO 75 -19.027 -4.327 -1.368 572 HB3 PRO 75 2HB PRO 75 -17.701 -5.396 -1.842 573 HG2 PRO 75 1HG PRO 75 -19.240 -5.310 0.724 574 HG3 PRO 75 2HG PRO 75 -18.729 -6.716 -0.228 575 HD2 PRO 75 1HD PRO 75 -17.404 -5.896 1.987 576 HD3 PRO 75 2HD PRO 75 -16.583 -6.662 0.611 577 H GLY 76 H GLY 76 -17.358 -1.633 -1.722 578 HA2 GLY 76 1HA GLY 76 -18.275 0.431 -1.311 579 HA3 GLY 76 2HA GLY 76 -19.532 -0.450 -0.455 580 H THR 77 H THR 77 -16.079 -0.111 0.292 581 HA THR 77 HA THR 77 -16.729 1.524 2.621 582 HB THR 77 HB THR 77 -15.246 -1.104 2.838 583 HG1 THR 77 1HG THR 77 -17.064 -1.411 4.409 584 HG21 THR 77 1HG2 THR 77 -15.899 0.850 5.042 585 HG22 THR 77 2HG2 THR 77 -14.331 0.774 4.238 586 HG23 THR 77 3HG2 THR 77 -14.922 -0.613 5.153 587 H ARG 78 H ARG 78 -15.359 3.170 2.669 588 HA ARG 78 HA ARG 78 -13.145 3.442 0.993 589 HB2 ARG 78 1HB ARG 78 -14.235 4.923 3.322 590 HB3 ARG 78 2HB ARG 78 -12.554 5.233 2.910 591 HG2 ARG 78 1HG ARG 78 -13.457 5.579 0.510 592 HG3 ARG 78 2HG ARG 78 -15.019 5.766 1.310 593 HD2 ARG 78 1HD ARG 78 -13.847 7.468 2.811 594 HD3 ARG 78 2HD ARG 78 -12.539 7.430 1.629 595 HE ARG 78 HE ARG 78 -13.815 8.740 0.271 596 HH11 ARG 78 2HH1 ARG 78 -15.908 7.135 2.544 597 HH12 ARG 78 1HH1 ARG 78 -17.333 7.969 2.020 598 HH21 ARG 78 2HH2 ARG 78 -15.684 9.845 -0.427 599 HH22 ARG 78 1HH2 ARG 78 -17.205 9.510 0.329 600 H TYR 79 H TYR 79 -10.971 3.147 1.243 601 HA TYR 79 HA TYR 79 -10.044 1.962 3.770 602 HB2 TYR 79 1HB TYR 79 -9.883 0.841 1.020 603 HB3 TYR 79 2HB TYR 79 -8.479 0.627 2.059 604 HD1 TYR 79 2HD TYR 79 -8.679 -0.662 4.160 605 HD2 TYR 79 1HD TYR 79 -11.911 -0.368 1.409 606 HE1 TYR 79 2HE TYR 79 -9.767 -2.582 5.244 607 HE2 TYR 79 1HE TYR 79 -13.010 -2.288 2.486 608 HH TYR 79 HH TYR 79 -11.902 -3.595 5.481 609 H VAL 80 H VAL 80 -8.008 2.528 4.421 610 HA VAL 80 HA VAL 80 -6.731 4.675 2.878 611 HB VAL 80 HB VAL 80 -6.376 3.912 5.780 612 HG11 VAL 80 1HG1 VAL 80 -4.393 4.945 4.527 613 HG12 VAL 80 2HG1 VAL 80 -5.364 6.417 4.474 614 HG13 VAL 80 3HG1 VAL 80 -4.909 5.716 6.027 615 HG21 VAL 80 1HG2 VAL 80 -7.813 6.231 4.493 616 HG22 VAL 80 2HG2 VAL 80 -8.554 4.890 5.365 617 HG23 VAL 80 3HG2 VAL 80 -7.534 6.044 6.224 618 H PHE 81 H PHE 81 -5.182 3.947 1.570 619 HA PHE 81 HA PHE 81 -3.567 1.648 2.348 620 HB2 PHE 81 1HB PHE 81 -3.740 3.210 -0.235 621 HB3 PHE 81 2HB PHE 81 -2.657 1.845 0.021 622 HD1 PHE 81 1HD PHE 81 -3.655 -0.408 0.535 623 HD2 PHE 81 2HD PHE 81 -5.976 2.884 -0.840 624 HE1 PHE 81 1HE PHE 81 -5.445 -1.956 -0.139 625 HE2 PHE 81 2HE PHE 81 -7.770 1.342 -1.515 626 HZ PHE 81 HZ PHE 81 -7.506 -1.082 -1.165 627 H GLN 82 H GLN 82 -1.237 1.705 2.187 628 HA GLN 82 HA GLN 82 0.103 4.255 2.118 629 HB2 GLN 82 1HB GLN 82 -0.319 2.765 4.685 630 HB3 GLN 82 2HB GLN 82 1.148 3.705 4.447 631 HG2 GLN 82 1HG GLN 82 -0.300 5.678 3.942 632 HG3 GLN 82 2HG GLN 82 -1.686 4.704 4.429 633 HE21 GLN 82 1HE2 GLN 82 -0.037 7.124 5.497 634 HE22 GLN 82 2HE2 GLN 82 0.084 6.777 7.185 635 H VAL 83 H VAL 83 1.600 3.642 0.675 636 HA VAL 83 HA VAL 83 2.913 1.055 0.918 637 HB VAL 83 HB VAL 83 3.256 3.223 -1.158 638 HG11 VAL 83 1HG1 VAL 83 4.271 0.383 -1.123 639 HG12 VAL 83 2HG1 VAL 83 4.429 1.521 -2.462 640 HG13 VAL 83 3HG1 VAL 83 5.252 1.835 -0.933 641 HG21 VAL 83 1HG2 VAL 83 1.659 2.229 -2.425 642 HG22 VAL 83 2HG2 VAL 83 2.007 0.618 -1.800 643 HG23 VAL 83 3HG2 VAL 83 1.049 1.747 -0.842 644 H ARG 84 H ARG 84 5.188 0.808 1.045 645 HA ARG 84 HA ARG 84 6.872 3.078 1.582 646 HB2 ARG 84 1HB ARG 84 7.396 2.642 3.846 647 HB3 ARG 84 2HB ARG 84 5.640 2.618 3.755 648 HG2 ARG 84 1HG ARG 84 5.543 0.293 3.971 649 HG3 ARG 84 2HG ARG 84 7.252 0.099 3.575 650 HD2 ARG 84 1HD ARG 84 7.949 0.747 5.670 651 HD3 ARG 84 2HD ARG 84 6.494 1.694 5.976 652 HE ARG 84 HE ARG 84 6.070 -1.156 5.793 653 HH11 ARG 84 2HH1 ARG 84 6.772 1.545 7.873 654 HH12 ARG 84 1HH1 ARG 84 6.205 0.756 9.308 655 HH21 ARG 84 2HH2 ARG 84 5.321 -2.207 7.674 656 HH22 ARG 84 1HH2 ARG 84 5.381 -1.379 9.193 657 H ALA 85 H ALA 85 9.115 2.506 1.775 658 HA ALA 85 HA ALA 85 9.695 -0.082 0.517 659 HB1 ALA 85 1HB ALA 85 10.936 1.165 -0.840 660 HB2 ALA 85 2HB ALA 85 10.730 2.588 0.182 661 HB3 ALA 85 3HB ALA 85 12.028 1.443 0.517 662 H ARG 86 H ARG 86 11.052 -1.557 1.421 663 HA ARG 86 HA ARG 86 12.209 -0.890 4.047 664 HB2 ARG 86 1HB ARG 86 10.303 -2.278 4.475 665 HB3 ARG 86 2HB ARG 86 10.771 -3.407 3.211 666 HG2 ARG 86 1HG ARG 86 12.663 -4.145 4.489 667 HG3 ARG 86 2HG ARG 86 12.366 -2.908 5.712 668 HD2 ARG 86 1HD ARG 86 10.285 -3.951 6.330 669 HD3 ARG 86 2HD ARG 86 10.435 -5.114 5.014 670 HE ARG 86 HE ARG 86 11.974 -6.304 6.262 671 HH11 ARG 86 2HH1 ARG 86 11.216 -3.286 7.824 672 HH12 ARG 86 1HH1 ARG 86 11.978 -3.719 9.318 673 HH21 ARG 86 2HH2 ARG 86 12.980 -6.885 8.225 674 HH22 ARG 86 1HH2 ARG 86 12.982 -5.765 9.545 675 H THR 87 H THR 87 14.345 -0.993 3.970 676 HA THR 87 HA THR 87 15.617 -2.800 2.033 677 HB THR 87 HB THR 87 17.643 -1.432 2.319 678 HG1 THR 87 1HG THR 87 16.358 -0.570 4.487 679 HG21 THR 87 1HG2 THR 87 15.728 -0.868 0.687 680 HG22 THR 87 2HG2 THR 87 16.947 0.368 0.999 681 HG23 THR 87 3HG2 THR 87 15.374 0.461 1.790 682 H SER 88 H SER 88 17.297 -4.173 2.651 683 HA SER 88 HA SER 88 17.103 -5.698 4.840 684 HB2 SER 88 1HB SER 88 19.800 -4.854 3.761 685 HB3 SER 88 2HB SER 88 19.398 -6.375 4.557 686 HG SER 88 HG SER 88 17.953 -6.764 2.764 687 H ALA 89 H ALA 89 18.892 -2.647 4.699 688 HA ALA 89 HA ALA 89 20.101 -2.628 7.169 689 HB1 ALA 89 1HB ALA 89 19.300 -0.022 6.909 690 HB2 ALA 89 2HB ALA 89 20.737 -0.732 6.171 691 HB3 ALA 89 3HB ALA 89 19.240 -0.609 5.247 692 H GLY 90 H GLY 90 16.916 -1.163 6.464 693 HA2 GLY 90 1HA GLY 90 15.803 -2.183 8.912 694 HA3 GLY 90 2HA GLY 90 16.137 -0.459 8.981 695 H CYS 91 H CYS 91 14.149 0.422 8.951 696 HA CYS 91 HA CYS 91 12.572 0.045 6.523 697 HB2 CYS 91 1HB CYS 91 11.761 -1.445 8.492 698 HB3 CYS 91 2HB CYS 91 11.161 0.061 9.175 699 HG CYS 91 HG CYS 91 9.660 0.585 6.730 700 H GLY 92 H GLY 92 11.888 1.930 5.725 701 HA2 GLY 92 1HA GLY 92 12.460 4.361 7.164 702 HA3 GLY 92 2HA GLY 92 11.807 4.238 5.537 703 H ARG 93 H ARG 93 10.170 5.707 5.748 704 HA ARG 93 HA ARG 93 8.145 5.151 7.811 705 HB2 ARG 93 1HB ARG 93 9.043 7.662 6.459 706 HB3 ARG 93 2HB ARG 93 7.384 7.552 7.032 707 HG2 ARG 93 1HG ARG 93 7.991 7.561 9.227 708 HG3 ARG 93 2HG ARG 93 9.556 6.809 8.912 709 HD2 ARG 93 1HD ARG 93 10.165 9.002 7.742 710 HD3 ARG 93 2HD ARG 93 8.740 9.674 8.533 711 HE ARG 93 HE ARG 93 10.036 8.606 10.606 712 HH11 ARG 93 2HH1 ARG 93 11.163 10.601 7.984 713 HH12 ARG 93 1HH1 ARG 93 12.420 11.343 8.916 714 HH21 ARG 93 2HH2 ARG 93 11.688 9.576 11.843 715 HH22 ARG 93 1HH2 ARG 93 12.719 10.758 11.111 716 H PHE 94 H PHE 94 5.871 5.788 7.100 717 HA PHE 94 HA PHE 94 5.300 4.362 4.644 718 HB2 PHE 94 1HB PHE 94 3.733 5.268 7.005 719 HB3 PHE 94 2HB PHE 94 2.862 5.062 5.489 720 HD1 PHE 94 1HD PHE 94 3.568 2.772 4.232 721 HD2 PHE 94 2HD PHE 94 3.712 3.480 8.426 722 HE1 PHE 94 1HE PHE 94 3.424 0.351 4.642 723 HE2 PHE 94 2HE PHE 94 3.570 1.059 8.843 724 HZ PHE 94 HZ PHE 94 3.426 -0.509 6.950 725 H SER 95 H SER 95 3.655 5.235 3.122 726 HA SER 95 HA SER 95 4.432 7.890 2.305 727 HB2 SER 95 1HB SER 95 4.150 6.076 0.650 728 HB3 SER 95 2HB SER 95 2.436 5.984 1.057 729 HG SER 95 HG SER 95 3.823 8.152 -0.130 730 H GLN 96 H GLN 96 2.606 9.351 1.439 731 HA GLN 96 HA GLN 96 1.142 10.344 3.570 732 HB2 GLN 96 1HB GLN 96 1.072 10.729 0.622 733 HB3 GLN 96 2HB GLN 96 -0.307 11.314 1.544 734 HG2 GLN 96 1HG GLN 96 1.501 12.446 3.025 735 HG3 GLN 96 2HG GLN 96 2.536 12.210 1.617 736 HE21 GLN 96 1HE2 GLN 96 -0.313 13.799 2.847 737 HE22 GLN 96 2HE2 GLN 96 -0.432 14.986 1.599 738 H ALA 97 H ALA 97 -0.963 10.163 4.263 739 HA ALA 97 HA ALA 97 -2.214 7.684 4.104 740 HB1 ALA 97 1HB ALA 97 -3.299 8.586 5.814 741 HB2 ALA 97 2HB ALA 97 -2.705 10.189 5.379 742 HB3 ALA 97 3HB ALA 97 -4.212 9.589 4.686 743 H MET 98 H MET 98 -2.770 6.846 2.170 744 HA MET 98 HA MET 98 -4.065 8.476 0.155 745 HB2 MET 98 1HB MET 98 -2.478 6.899 -0.670 746 HB3 MET 98 2HB MET 98 -3.214 5.584 0.236 747 HG2 MET 98 1HG MET 98 -4.085 5.116 -1.790 748 HG3 MET 98 2HG MET 98 -5.310 6.259 -1.246 749 HE1 MET 98 1HE MET 98 -3.809 4.979 -3.814 750 HE2 MET 98 2HE MET 98 -4.703 6.057 -4.886 751 HE3 MET 98 3HE MET 98 -2.941 6.129 -4.831 752 H GLU 99 H GLU 99 -6.158 8.198 -0.617 753 HA GLU 99 HA GLU 99 -7.930 6.568 1.082 754 HB2 GLU 99 1HB GLU 99 -8.256 9.377 0.078 755 HB3 GLU 99 2HB GLU 99 -9.669 8.393 0.430 756 HG2 GLU 99 1HG GLU 99 -8.683 8.025 2.725 757 HG3 GLU 99 2HG GLU 99 -7.520 9.288 2.324 758 H VAL 100 H VAL 100 -9.016 5.058 0.019 759 HA VAL 100 HA VAL 100 -9.978 5.543 -2.678 760 HB VAL 100 HB VAL 100 -8.145 3.216 -2.082 761 HG11 VAL 100 1HG1 VAL 100 -8.820 3.662 -4.859 762 HG12 VAL 100 2HG1 VAL 100 -8.928 2.187 -3.895 763 HG13 VAL 100 3HG1 VAL 100 -10.255 3.349 -3.884 764 HG21 VAL 100 1HG2 VAL 100 -7.044 5.444 -2.402 765 HG22 VAL 100 2HG2 VAL 100 -6.583 4.218 -3.583 766 HG23 VAL 100 3HG2 VAL 100 -7.731 5.481 -4.026 767 H GLU 101 H GLU 101 -11.813 4.420 -3.153 768 HA GLU 101 HA GLU 101 -12.868 2.711 -1.009 769 HB2 GLU 101 1HB GLU 101 -14.046 4.874 -1.937 770 HB3 GLU 101 2HB GLU 101 -14.570 3.791 -3.218 771 HG2 GLU 101 1HG GLU 101 -15.437 2.274 -1.378 772 HG3 GLU 101 2HG GLU 101 -15.180 3.633 -0.286 773 H THR 102 H THR 102 -13.853 0.733 -1.477 774 HA THR 102 HA THR 102 -12.760 -0.614 -3.791 775 HB THR 102 HB THR 102 -13.728 -2.654 -2.824 776 HG1 THR 102 1HG THR 102 -14.752 -0.883 -0.836 777 HG21 THR 102 1HG2 THR 102 -12.343 -0.991 -0.718 778 HG22 THR 102 2HG2 THR 102 -11.525 -1.816 -2.046 779 HG23 THR 102 3HG2 THR 102 -12.380 -2.751 -0.820 780 H GLY 103 H GLY 103 -14.380 -2.338 -4.777 781 HA2 GLY 103 1HA GLY 103 -16.387 -0.781 -6.134 782 HA3 GLY 103 2HA GLY 103 -15.994 -2.467 -6.433 783 H LYS 104 H LYS 104 -18.351 -0.431 -5.359 784 HA LYS 104 HA LYS 104 -19.484 -1.743 -3.167 785 HB2 LYS 104 1HB LYS 104 -20.506 0.085 -5.289 786 HB3 LYS 104 2HB LYS 104 -21.683 -0.764 -4.296 787 HG2 LYS 104 1HG LYS 104 -20.522 0.152 -2.282 788 HG3 LYS 104 2HG LYS 104 -19.542 1.135 -3.372 789 HD2 LYS 104 1HD LYS 104 -22.493 1.240 -3.693 790 HD3 LYS 104 2HD LYS 104 -21.792 2.040 -2.284 791 HE2 LYS 104 1HE LYS 104 -20.546 3.515 -3.596 792 HE3 LYS 104 2HE LYS 104 -20.694 2.506 -5.035 793 HZ1 LYS 104 1HZ LYS 104 -23.255 3.288 -4.137 794 HZ2 LYS 104 2HZ LYS 104 -22.508 3.606 -5.621 795 HZ3 LYS 104 3HZ LYS 104 -22.281 4.659 -4.317 796 HA PRO 105 HA PRO 105 -21.196 -5.470 -4.734 797 HB2 PRO 105 1HB PRO 105 -23.443 -5.693 -3.227 798 HB3 PRO 105 2HB PRO 105 -21.820 -5.951 -2.576 799 HG2 PRO 105 1HG PRO 105 -23.568 -3.527 -2.402 800 HG3 PRO 105 2HG PRO 105 -22.571 -4.280 -1.144 801 HD2 PRO 105 1HD PRO 105 -21.778 -2.079 -2.507 802 HD3 PRO 105 2HD PRO 105 -20.633 -3.300 -1.915 803 H SER 106 H SER 106 -22.421 -2.548 -5.510 804 HA SER 106 HA SER 106 -25.012 -3.229 -6.490 805 HB2 SER 106 1HB SER 106 -23.187 -0.880 -6.716 806 HB3 SER 106 2HB SER 106 -24.484 -1.033 -7.901 807 HG SER 106 HG SER 106 -25.823 -1.405 -5.883 808 H GLY 107 H GLY 107 -25.648 -3.248 -8.752 809 HA2 GLY 107 1HA GLY 107 -24.220 -5.100 -10.280 810 HA3 GLY 107 2HA GLY 107 -25.499 -4.062 -10.892 811 HA PRO 108 HA PRO 108 -21.338 -2.968 -12.807 812 HB2 PRO 108 1HB PRO 108 -22.014 -3.556 -15.370 813 HB3 PRO 108 2HB PRO 108 -21.311 -4.744 -14.265 814 HG2 PRO 108 1HG PRO 108 -24.176 -4.330 -15.028 815 HG3 PRO 108 2HG PRO 108 -23.273 -5.846 -14.850 816 HD2 PRO 108 1HD PRO 108 -24.944 -4.912 -12.935 817 HD3 PRO 108 2HD PRO 108 -23.485 -5.849 -12.555 818 H SER 109 H SER 109 -24.456 -1.920 -12.695 819 HA SER 109 HA SER 109 -24.083 0.224 -14.661 820 HB2 SER 109 1HB SER 109 -26.452 0.636 -14.470 821 HB3 SER 109 2HB SER 109 -26.215 -1.100 -14.670 822 HG SER 109 HG SER 109 -27.709 -0.554 -12.987 823 H SER 110 H SER 110 -22.881 -0.089 -11.857 824 HA SER 110 HA SER 110 -23.970 2.274 -10.534 825 HB2 SER 110 1HB SER 110 -23.537 0.383 -9.091 826 HB3 SER 110 2HB SER 110 -21.877 0.263 -9.674 827 HG SER 110 HG SER 110 -21.309 1.850 -8.399 828 H GLY 111 H GLY 111 -20.765 1.079 -11.558 829 HA2 GLY 111 1HA GLY 111 -19.604 2.805 -13.040 830 HA3 GLY 111 2HA GLY 111 -19.868 3.886 -11.680 Start of MODEL 14 1 H1 GLY 1 H GLY 1 30.894 4.365 23.762 2 HA2 GLY 1 1HA GLY 1 30.129 6.219 21.611 3 HA3 GLY 1 2HA GLY 1 29.371 4.636 21.691 4 H SER 2 H SER 2 29.152 7.836 22.640 5 HA SER 2 HA SER 2 27.589 7.322 25.038 6 HB2 SER 2 1HB SER 2 29.223 9.299 24.681 7 HB3 SER 2 2HB SER 2 27.919 10.015 23.734 8 HG SER 2 HG SER 2 26.806 10.357 25.505 9 H SER 3 H SER 3 27.105 8.710 21.805 10 HA SER 3 HA SER 3 24.226 8.796 22.222 11 HB2 SER 3 1HB SER 3 25.878 9.592 19.812 12 HB3 SER 3 2HB SER 3 24.151 9.887 20.019 13 HG SER 3 HG SER 3 24.820 11.063 21.987 14 H GLY 4 H GLY 4 26.574 7.179 20.108 15 HA2 GLY 4 1HA GLY 4 26.220 4.809 19.639 16 HA3 GLY 4 2HA GLY 4 24.499 5.155 19.540 17 H SER 5 H SER 5 26.647 4.052 17.639 18 HA SER 5 HA SER 5 26.383 5.957 15.435 19 HB2 SER 5 1HB SER 5 28.103 3.535 15.906 20 HB3 SER 5 2HB SER 5 27.891 4.185 14.280 21 HG SER 5 HG SER 5 29.271 5.673 14.779 22 H SER 6 H SER 6 25.238 5.562 13.602 23 HA SER 6 HA SER 6 23.419 3.268 13.688 24 HB2 SER 6 1HB SER 6 22.102 4.524 12.006 25 HB3 SER 6 2HB SER 6 22.356 5.455 13.482 26 HG SER 6 HG SER 6 24.009 6.584 12.417 27 H GLY 7 H GLY 7 23.413 1.690 12.181 28 HA2 GLY 7 1HA GLY 7 25.652 1.121 10.656 29 HA3 GLY 7 2HA GLY 7 24.061 0.430 10.373 30 H GLN 8 H GLN 8 22.703 1.345 8.810 31 HA GLN 8 HA GLN 8 24.034 3.256 7.005 32 HB2 GLN 8 1HB GLN 8 22.501 0.752 6.433 33 HB3 GLN 8 2HB GLN 8 22.470 2.062 5.261 34 HG2 GLN 8 1HG GLN 8 24.861 1.980 5.030 35 HG3 GLN 8 2HG GLN 8 24.978 0.778 6.314 36 HE21 GLN 8 1HE2 GLN 8 25.994 0.461 3.708 37 HE22 GLN 8 2HE2 GLN 8 25.142 -0.839 2.956 38 H ALA 9 H ALA 9 22.682 4.723 5.858 39 HA ALA 9 HA ALA 9 20.573 5.791 7.424 40 HB1 ALA 9 1HB ALA 9 21.950 7.250 6.094 41 HB2 ALA 9 2HB ALA 9 21.450 6.433 4.612 42 HB3 ALA 9 3HB ALA 9 20.279 7.371 5.540 43 H ALA 10 H ALA 10 18.408 5.582 7.277 44 HA ALA 10 HA ALA 10 17.294 3.364 5.937 45 HB1 ALA 10 1HB ALA 10 15.176 5.065 6.536 46 HB2 ALA 10 2HB ALA 10 15.805 3.758 7.539 47 HB3 ALA 10 3HB ALA 10 16.392 5.406 7.766 48 HA PRO 11 HA PRO 11 16.168 4.840 1.961 49 HB2 PRO 11 1HB PRO 11 13.683 3.803 1.616 50 HB3 PRO 11 2HB PRO 11 15.149 2.814 1.594 51 HG2 PRO 11 1HG PRO 11 13.190 3.249 3.816 52 HG3 PRO 11 2HG PRO 11 13.963 1.744 3.283 53 HD2 PRO 11 1HD PRO 11 14.822 3.140 5.439 54 HD3 PRO 11 2HD PRO 11 15.923 2.206 4.405 55 H SER 12 H SER 12 14.524 6.084 0.717 56 HA SER 12 HA SER 12 13.623 8.328 2.284 57 HB2 SER 12 1HB SER 12 14.667 8.388 -0.080 58 HB3 SER 12 2HB SER 12 13.060 7.936 -0.648 59 HG SER 12 HG SER 12 13.819 10.325 -0.257 60 H GLN 13 H GLN 13 11.414 9.249 1.911 61 HA GLN 13 HA GLN 13 9.448 7.141 2.320 62 HB2 GLN 13 1HB GLN 13 9.668 9.178 3.825 63 HB3 GLN 13 2HB GLN 13 8.993 10.117 2.500 64 HG2 GLN 13 1HG GLN 13 7.119 8.250 2.627 65 HG3 GLN 13 2HG GLN 13 7.693 8.150 4.291 66 HE21 GLN 13 1HE2 GLN 13 5.338 8.850 4.473 67 HE22 GLN 13 2HE2 GLN 13 5.058 10.552 4.568 68 H VAL 14 H VAL 14 8.443 6.349 0.600 69 HA VAL 14 HA VAL 14 8.395 7.427 -1.951 70 HB VAL 14 HB VAL 14 6.425 5.535 -0.664 71 HG11 VAL 14 1HG1 VAL 14 5.470 6.683 -2.637 72 HG12 VAL 14 2HG1 VAL 14 6.824 6.090 -3.601 73 HG13 VAL 14 3HG1 VAL 14 5.685 4.951 -2.883 74 HG21 VAL 14 1HG2 VAL 14 8.256 4.228 -0.716 75 HG22 VAL 14 2HG2 VAL 14 7.879 4.082 -2.432 76 HG23 VAL 14 3HG2 VAL 14 9.081 5.253 -1.891 77 H VAL 15 H VAL 15 7.378 9.102 -2.821 78 HA VAL 15 HA VAL 15 4.948 10.116 -1.493 79 HB VAL 15 HB VAL 15 5.579 12.340 -2.543 80 HG11 VAL 15 1HG1 VAL 15 6.848 12.987 -0.683 81 HG12 VAL 15 2HG1 VAL 15 5.917 11.598 -0.118 82 HG13 VAL 15 3HG1 VAL 15 7.618 11.406 -0.547 83 HG21 VAL 15 1HG2 VAL 15 7.754 12.722 -3.326 84 HG22 VAL 15 2HG2 VAL 15 8.350 11.190 -2.688 85 HG23 VAL 15 3HG2 VAL 15 7.275 11.205 -4.086 86 H VAL 16 H VAL 16 5.492 8.200 -3.837 87 HA VAL 16 HA VAL 16 3.658 9.530 -5.719 88 HB VAL 16 HB VAL 16 5.757 9.499 -6.843 89 HG11 VAL 16 1HG1 VAL 16 6.650 7.665 -5.258 90 HG12 VAL 16 2HG1 VAL 16 6.048 6.541 -6.479 91 HG13 VAL 16 3HG1 VAL 16 7.270 7.740 -6.907 92 HG21 VAL 16 1HG2 VAL 16 4.652 8.900 -8.674 93 HG22 VAL 16 2HG2 VAL 16 5.059 7.218 -8.337 94 HG23 VAL 16 3HG2 VAL 16 3.552 7.900 -7.726 95 H ILE 17 H ILE 17 1.768 8.533 -5.381 96 HA ILE 17 HA ILE 17 1.675 5.631 -5.726 97 HB ILE 17 HB ILE 17 0.615 7.123 -3.348 98 HG12 ILE 17 1HG1 ILE 17 1.948 4.419 -3.541 99 HG13 ILE 17 2HG1 ILE 17 2.845 5.921 -3.345 100 HG21 ILE 17 1HG2 ILE 17 -0.496 4.714 -2.985 101 HG22 ILE 17 2HG2 ILE 17 -1.348 6.066 -3.730 102 HG23 ILE 17 3HG2 ILE 17 -0.610 4.825 -4.741 103 HD11 ILE 17 1HD1 ILE 17 2.436 4.636 -1.244 104 HD12 ILE 17 2HD1 ILE 17 1.878 6.309 -1.213 105 HD13 ILE 17 3HD1 ILE 17 0.720 4.998 -1.432 106 H ARG 18 H ARG 18 0.001 4.963 -6.943 107 HA ARG 18 HA ARG 18 -2.278 6.762 -7.339 108 HB2 ARG 18 1HB ARG 18 -0.928 5.394 -9.661 109 HB3 ARG 18 2HB ARG 18 -2.177 6.630 -9.710 110 HG2 ARG 18 1HG ARG 18 -0.677 8.323 -9.073 111 HG3 ARG 18 2HG ARG 18 0.546 7.156 -8.567 112 HD2 ARG 18 1HD ARG 18 0.947 6.501 -10.837 113 HD3 ARG 18 2HD ARG 18 -0.415 7.464 -11.406 114 HE ARG 18 HE ARG 18 1.133 9.324 -10.260 115 HH11 ARG 18 2HH1 ARG 18 1.861 6.767 -12.508 116 HH12 ARG 18 1HH1 ARG 18 3.164 7.625 -13.262 117 HH21 ARG 18 2HH2 ARG 18 2.846 10.463 -11.245 118 HH22 ARG 18 1HH2 ARG 18 3.724 9.727 -12.543 119 H GLN 19 H GLN 19 -4.018 5.600 -8.680 120 HA GLN 19 HA GLN 19 -4.125 2.772 -7.856 121 HB2 GLN 19 1HB GLN 19 -5.674 3.980 -6.495 122 HB3 GLN 19 2HB GLN 19 -6.308 4.854 -7.883 123 HG2 GLN 19 1HG GLN 19 -6.893 2.411 -8.699 124 HG3 GLN 19 2HG GLN 19 -6.853 2.088 -6.967 125 HE21 GLN 19 1HE2 GLN 19 -7.894 4.293 -5.865 126 HE22 GLN 19 2HE2 GLN 19 -9.522 4.537 -6.389 127 H GLU 20 H GLU 20 -3.911 1.540 -9.603 128 HA GLU 20 HA GLU 20 -4.520 2.431 -12.236 129 HB2 GLU 20 1HB GLU 20 -3.568 -0.105 -11.001 130 HB3 GLU 20 2HB GLU 20 -4.268 -0.196 -12.611 131 HG2 GLU 20 1HG GLU 20 -2.639 1.325 -13.478 132 HG3 GLU 20 2HG GLU 20 -2.014 1.648 -11.862 133 H ARG 21 H ARG 21 -6.003 -0.050 -10.149 134 HA ARG 21 HA ARG 21 -8.600 0.544 -11.320 135 HB2 ARG 21 1HB ARG 21 -7.553 -2.289 -11.276 136 HB3 ARG 21 2HB ARG 21 -9.088 -1.733 -11.928 137 HG2 ARG 21 1HG ARG 21 -7.640 -0.304 -13.513 138 HG3 ARG 21 2HG ARG 21 -6.336 -1.396 -13.042 139 HD2 ARG 21 1HD ARG 21 -7.277 -3.194 -14.090 140 HD3 ARG 21 2HD ARG 21 -8.921 -2.595 -13.874 141 HE ARG 21 HE ARG 21 -8.751 -1.483 -15.876 142 HH11 ARG 21 2HH1 ARG 21 -5.598 -2.562 -14.871 143 HH12 ARG 21 1HH1 ARG 21 -4.839 -2.165 -16.377 144 HH21 ARG 21 2HH2 ARG 21 -7.764 -0.956 -17.863 145 HH22 ARG 21 1HH2 ARG 21 -6.071 -1.250 -18.078 146 H ALA 22 H ALA 22 -10.167 0.470 -9.833 147 HA ALA 22 HA ALA 22 -9.562 -0.850 -7.267 148 HB1 ALA 22 1HB ALA 22 -10.974 1.717 -7.885 149 HB2 ALA 22 2HB ALA 22 -11.290 0.852 -6.381 150 HB3 ALA 22 3HB ALA 22 -9.659 1.411 -6.750 151 H GLY 23 H GLY 23 -10.584 -2.775 -7.370 152 HA2 GLY 23 1HA GLY 23 -13.189 -3.024 -8.613 153 HA3 GLY 23 2HA GLY 23 -12.253 -4.316 -7.877 154 H GLN 24 H GLN 24 -14.323 -4.982 -6.973 155 HA GLN 24 HA GLN 24 -15.520 -3.288 -4.959 156 HB2 GLN 24 1HB GLN 24 -16.631 -5.090 -6.551 157 HB3 GLN 24 2HB GLN 24 -16.220 -6.176 -5.230 158 HG2 GLN 24 1HG GLN 24 -17.393 -4.331 -3.778 159 HG3 GLN 24 2HG GLN 24 -18.170 -3.935 -5.310 160 HE21 GLN 24 1HE2 GLN 24 -19.570 -5.413 -6.253 161 HE22 GLN 24 2HE2 GLN 24 -20.225 -6.750 -5.379 162 H THR 25 H THR 25 -13.747 -6.365 -5.034 163 HA THR 25 HA THR 25 -13.234 -6.039 -2.149 164 HB THR 25 HB THR 25 -12.877 -8.511 -2.090 165 HG1 THR 25 1HG THR 25 -12.593 -8.593 -4.483 166 HG21 THR 25 1HG2 THR 25 -14.946 -8.083 -1.236 167 HG22 THR 25 2HG2 THR 25 -15.444 -8.967 -2.679 168 HG23 THR 25 3HG2 THR 25 -15.475 -7.204 -2.669 169 H SER 26 H SER 26 -11.764 -5.182 -4.713 170 HA SER 26 HA SER 26 -9.124 -5.881 -3.730 171 HB2 SER 26 1HB SER 26 -8.338 -6.559 -6.005 172 HB3 SER 26 2HB SER 26 -9.494 -7.688 -5.297 173 HG SER 26 HG SER 26 -11.075 -6.893 -6.629 174 H VAL 27 H VAL 27 -7.422 -4.574 -4.710 175 HA VAL 27 HA VAL 27 -8.194 -2.321 -6.345 176 HB VAL 27 HB VAL 27 -7.271 -1.878 -3.503 177 HG11 VAL 27 1HG1 VAL 27 -6.165 -0.314 -4.974 178 HG12 VAL 27 2HG1 VAL 27 -7.698 0.092 -5.746 179 HG13 VAL 27 3HG1 VAL 27 -7.418 0.524 -4.059 180 HG21 VAL 27 1HG2 VAL 27 -9.835 -1.141 -4.912 181 HG22 VAL 27 2HG2 VAL 27 -9.645 -2.365 -3.656 182 HG23 VAL 27 3HG2 VAL 27 -9.398 -0.662 -3.271 183 H SER 28 H SER 28 -6.511 -1.556 -7.507 184 HA SER 28 HA SER 28 -3.884 -2.753 -6.973 185 HB2 SER 28 1HB SER 28 -4.774 -3.254 -9.179 186 HB3 SER 28 2HB SER 28 -5.025 -1.539 -9.501 187 HG SER 28 HG SER 28 -2.463 -2.090 -8.766 188 H LEU 29 H LEU 29 -2.016 -1.513 -6.913 189 HA LEU 29 HA LEU 29 -2.379 1.406 -6.869 190 HB2 LEU 29 1HB LEU 29 -0.845 -0.258 -4.878 191 HB3 LEU 29 2HB LEU 29 -0.795 1.501 -4.963 192 HG LEU 29 HG LEU 29 -3.244 -0.147 -4.336 193 HD11 LEU 29 1HD1 LEU 29 -2.837 1.177 -2.097 194 HD12 LEU 29 2HD1 LEU 29 -1.162 1.138 -2.646 195 HD13 LEU 29 3HD1 LEU 29 -2.046 -0.369 -2.405 196 HD21 LEU 29 1HD2 LEU 29 -2.751 2.822 -4.433 197 HD22 LEU 29 2HD2 LEU 29 -4.148 2.087 -3.648 198 HD23 LEU 29 3HD2 LEU 29 -3.906 1.887 -5.384 199 H LEU 30 H LEU 30 -0.714 2.613 -7.690 200 HA LEU 30 HA LEU 30 1.585 1.116 -8.768 201 HB2 LEU 30 1HB LEU 30 -0.226 3.097 -10.035 202 HB3 LEU 30 2HB LEU 30 1.480 3.151 -10.475 203 HG LEU 30 HG LEU 30 -0.541 1.005 -11.002 204 HD11 LEU 30 1HD1 LEU 30 -0.452 2.221 -12.900 205 HD12 LEU 30 2HD1 LEU 30 0.973 1.229 -13.204 206 HD13 LEU 30 3HD1 LEU 30 1.156 2.857 -12.550 207 HD21 LEU 30 1HD2 LEU 30 1.055 -0.437 -10.250 208 HD22 LEU 30 2HD2 LEU 30 2.378 0.690 -10.553 209 HD23 LEU 30 3HD2 LEU 30 1.645 -0.193 -11.894 210 H TRP 31 H TRP 31 3.489 1.775 -8.038 211 HA TRP 31 HA TRP 31 3.918 4.591 -7.411 212 HB2 TRP 31 1HB TRP 31 4.769 4.184 -5.205 213 HB3 TRP 31 2HB TRP 31 3.173 3.445 -5.303 214 HD1 TRP 31 HD TRP 31 6.864 2.567 -4.934 215 HE1 TRP 31 1HE TRP 31 7.066 0.089 -4.266 216 HE3 TRP 31 3HE TRP 31 1.982 1.168 -5.521 217 HZ2 TRP 31 2HZ TRP 31 5.379 -2.161 -4.021 218 HZ3 TRP 31 3HZ TRP 31 1.359 -1.166 -5.049 219 HH2 TRP 31 HH TRP 31 3.024 -2.794 -4.315 220 H GLN 32 H GLN 32 5.928 5.275 -7.912 221 HA GLN 32 HA GLN 32 7.747 3.313 -9.070 222 HB2 GLN 32 1HB GLN 32 8.847 5.156 -10.124 223 HB3 GLN 32 2HB GLN 32 7.115 5.406 -10.301 224 HG2 GLN 32 1HG GLN 32 7.081 7.180 -8.844 225 HG3 GLN 32 2HG GLN 32 8.541 6.658 -8.007 226 HE21 GLN 32 1HE2 GLN 32 10.131 8.031 -8.302 227 HE22 GLN 32 2HE2 GLN 32 10.496 8.877 -9.763 228 H GLU 33 H GLU 33 10.095 3.549 -8.661 229 HA GLU 33 HA GLU 33 10.713 3.239 -5.968 230 HB2 GLU 33 1HB GLU 33 12.266 3.569 -8.468 231 HB3 GLU 33 2HB GLU 33 13.126 3.904 -6.972 232 HG2 GLU 33 1HG GLU 33 12.820 1.718 -6.177 233 HG3 GLU 33 2HG GLU 33 11.584 1.367 -7.384 234 HA PRO 34 HA PRO 34 10.990 7.320 -4.353 235 HB2 PRO 34 1HB PRO 34 12.707 6.870 -2.300 236 HB3 PRO 34 2HB PRO 34 11.022 6.338 -2.277 237 HG2 PRO 34 1HG PRO 34 13.494 4.773 -2.911 238 HG3 PRO 34 2HG PRO 34 12.094 4.304 -1.929 239 HD2 PRO 34 1HD PRO 34 12.419 3.482 -4.488 240 HD3 PRO 34 2HD PRO 34 10.820 3.770 -3.774 241 H GLU 35 H GLU 35 12.360 9.121 -4.249 242 HA GLU 35 HA GLU 35 14.251 9.498 -6.144 243 HB2 GLU 35 1HB GLU 35 14.358 10.758 -3.398 244 HB3 GLU 35 2HB GLU 35 15.071 11.403 -4.869 245 HG2 GLU 35 1HG GLU 35 12.631 11.326 -5.763 246 HG3 GLU 35 2HG GLU 35 12.207 11.274 -4.053 247 H GLN 36 H GLN 36 15.125 8.911 -2.732 248 HA GLN 36 HA GLN 36 17.526 7.504 -3.689 249 HB2 GLN 36 1HB GLN 36 17.303 9.555 -1.494 250 HB3 GLN 36 2HB GLN 36 18.655 8.435 -1.598 251 HG2 GLN 36 1HG GLN 36 18.758 9.375 -4.071 252 HG3 GLN 36 2HG GLN 36 17.974 10.756 -3.306 253 HE21 GLN 36 1HE2 GLN 36 20.889 9.225 -3.946 254 HE22 GLN 36 2HE2 GLN 36 21.903 10.157 -2.903 255 HA PRO 37 HA PRO 37 15.425 4.470 -1.077 256 HB2 PRO 37 1HB PRO 37 16.785 2.347 -2.085 257 HB3 PRO 37 2HB PRO 37 15.392 3.070 -2.898 258 HG2 PRO 37 1HG PRO 37 18.311 3.471 -3.425 259 HG3 PRO 37 2HG PRO 37 16.985 3.254 -4.582 260 HD2 PRO 37 1HD PRO 37 18.027 5.685 -4.001 261 HD3 PRO 37 2HD PRO 37 16.319 5.455 -4.424 262 H ASN 38 H ASN 38 18.771 5.279 -1.428 263 HA ASN 38 HA ASN 38 20.597 5.019 -0.093 264 HB2 ASN 38 1HB ASN 38 18.358 5.025 1.927 265 HB3 ASN 38 2HB ASN 38 20.050 4.951 2.411 266 HD21 ASN 38 1HD2 ASN 38 18.011 7.012 2.859 267 HD22 ASN 38 2HD2 ASN 38 18.675 8.473 2.220 268 H GLY 39 H GLY 39 19.941 2.694 -1.364 269 HA2 GLY 39 1HA GLY 39 21.331 0.681 -0.672 270 HA3 GLY 39 2HA GLY 39 20.248 0.618 0.710 271 H ILE 40 H ILE 40 20.538 -1.564 -0.931 272 HA ILE 40 HA ILE 40 18.592 -1.681 -2.997 273 HB ILE 40 HB ILE 40 20.058 -3.812 -1.460 274 HG12 ILE 40 1HG1 ILE 40 20.755 -4.159 -4.020 275 HG13 ILE 40 2HG1 ILE 40 20.324 -2.454 -4.096 276 HG21 ILE 40 1HG2 ILE 40 18.313 -5.148 -1.954 277 HG22 ILE 40 2HG2 ILE 40 17.703 -4.066 -3.205 278 HG23 ILE 40 3HG2 ILE 40 19.037 -5.163 -3.562 279 HD11 ILE 40 1HD1 ILE 40 21.889 -2.107 -2.148 280 HD12 ILE 40 2HD1 ILE 40 22.448 -3.757 -2.428 281 HD13 ILE 40 3HD1 ILE 40 22.636 -2.537 -3.687 282 H ILE 41 H ILE 41 16.475 -1.540 -2.697 283 HA ILE 41 HA ILE 41 15.228 -2.010 -0.173 284 HB ILE 41 HB ILE 41 13.988 -1.594 -2.895 285 HG12 ILE 41 1HG1 ILE 41 14.312 0.367 -0.617 286 HG13 ILE 41 2HG1 ILE 41 15.416 0.270 -1.985 287 HG21 ILE 41 1HG2 ILE 41 12.759 -2.603 -0.658 288 HG22 ILE 41 2HG2 ILE 41 12.416 -0.878 -0.547 289 HG23 ILE 41 3HG2 ILE 41 11.952 -1.777 -1.991 290 HD11 ILE 41 1HD1 ILE 41 13.776 2.064 -2.233 291 HD12 ILE 41 2HD1 ILE 41 13.622 0.849 -3.502 292 HD13 ILE 41 3HD1 ILE 41 12.474 0.876 -2.163 293 H LEU 42 H LEU 42 14.594 -3.886 0.642 294 HA LEU 42 HA LEU 42 14.796 -6.325 -0.772 295 HB2 LEU 42 1HB LEU 42 13.376 -5.714 1.816 296 HB3 LEU 42 2HB LEU 42 13.756 -7.327 1.216 297 HG LEU 42 HG LEU 42 15.902 -5.301 1.785 298 HD11 LEU 42 1HD1 LEU 42 14.200 -6.120 3.725 299 HD12 LEU 42 2HD1 LEU 42 15.893 -5.708 3.992 300 HD13 LEU 42 3HD1 LEU 42 15.418 -7.394 3.787 301 HD21 LEU 42 1HD2 LEU 42 17.341 -7.197 1.860 302 HD22 LEU 42 2HD2 LEU 42 16.374 -7.330 0.391 303 HD23 LEU 42 3HD2 LEU 42 15.976 -8.312 1.802 304 H GLU 43 H GLU 43 11.914 -4.661 0.520 305 HA GLU 43 HA GLU 43 10.379 -5.230 -1.819 306 HB2 GLU 43 1HB GLU 43 8.685 -6.661 -0.685 307 HB3 GLU 43 2HB GLU 43 10.244 -7.446 -0.893 308 HG2 GLU 43 1HG GLU 43 9.726 -6.030 1.662 309 HG3 GLU 43 2HG GLU 43 8.907 -7.565 1.377 310 H TYR 44 H TYR 44 8.110 -4.480 -1.589 311 HA TYR 44 HA TYR 44 8.011 -2.210 0.271 312 HB2 TYR 44 1HB TYR 44 6.670 -2.748 -2.372 313 HB3 TYR 44 2HB TYR 44 6.116 -1.469 -1.297 314 HD1 TYR 44 1HD TYR 44 8.941 -2.632 -3.367 315 HD2 TYR 44 2HD TYR 44 7.324 0.579 -1.092 316 HE1 TYR 44 1HE TYR 44 10.642 -1.122 -4.302 317 HE2 TYR 44 2HE TYR 44 9.019 2.099 -2.021 318 HH TYR 44 HH TYR 44 10.505 1.923 -4.469 319 H GLU 45 H GLU 45 6.467 -2.033 1.792 320 HA GLU 45 HA GLU 45 4.506 -4.218 1.968 321 HB2 GLU 45 1HB GLU 45 6.314 -3.638 3.818 322 HB3 GLU 45 2HB GLU 45 5.109 -2.449 4.292 323 HG2 GLU 45 1HG GLU 45 3.478 -4.474 4.215 324 HG3 GLU 45 2HG GLU 45 4.956 -5.425 4.350 325 H ILE 46 H ILE 46 2.399 -3.782 1.830 326 HA ILE 46 HA ILE 46 1.577 -0.955 1.833 327 HB ILE 46 HB ILE 46 0.130 -3.280 0.561 328 HG12 ILE 46 1HG1 ILE 46 1.487 -1.154 -1.035 329 HG13 ILE 46 2HG1 ILE 46 2.480 -2.435 -0.347 330 HG21 ILE 46 1HG2 ILE 46 -1.570 -1.851 0.479 331 HG22 ILE 46 2HG2 ILE 46 -0.571 -0.533 1.089 332 HG23 ILE 46 3HG2 ILE 46 -0.612 -0.880 -0.639 333 HD11 ILE 46 1HD1 ILE 46 0.050 -3.038 -1.990 334 HD12 ILE 46 2HD1 ILE 46 1.628 -2.745 -2.720 335 HD13 ILE 46 3HD1 ILE 46 1.411 -4.089 -1.599 336 H LYS 47 H LYS 47 0.334 -0.275 3.440 337 HA LYS 47 HA LYS 47 -1.073 -2.281 5.072 338 HB2 LYS 47 1HB LYS 47 0.489 -1.140 6.437 339 HB3 LYS 47 2HB LYS 47 0.075 0.422 5.743 340 HG2 LYS 47 1HG LYS 47 -2.221 0.109 6.768 341 HG3 LYS 47 2HG LYS 47 -1.521 -1.239 7.668 342 HD2 LYS 47 1HD LYS 47 -0.187 0.130 8.942 343 HD3 LYS 47 2HD LYS 47 -0.123 1.393 7.712 344 HE2 LYS 47 1HE LYS 47 -2.331 2.116 8.229 345 HE3 LYS 47 2HE LYS 47 -2.619 0.709 9.252 346 HZ1 LYS 47 1HZ LYS 47 -0.485 2.660 9.867 347 HZ2 LYS 47 2HZ LYS 47 -1.207 1.531 10.898 348 HZ3 LYS 47 3HZ LYS 47 -2.075 2.893 10.396 349 H TYR 48 H TYR 48 -3.190 -2.379 4.772 350 HA TYR 48 HA TYR 48 -4.640 0.106 4.143 351 HB2 TYR 48 1HB TYR 48 -6.206 -1.303 2.784 352 HB3 TYR 48 2HB TYR 48 -4.582 -1.182 2.117 353 HD1 TYR 48 1HD TYR 48 -2.999 -3.114 2.402 354 HD2 TYR 48 2HD TYR 48 -7.134 -3.400 3.362 355 HE1 TYR 48 1HE TYR 48 -2.840 -5.567 2.329 356 HE2 TYR 48 2HE TYR 48 -6.987 -5.854 3.293 357 HH TYR 48 HH TYR 48 -5.147 -7.547 1.920 358 H TYR 49 H TYR 49 -6.041 0.612 5.678 359 HA TYR 49 HA TYR 49 -7.378 -1.561 7.147 360 HB2 TYR 49 1HB TYR 49 -7.197 -0.337 9.208 361 HB3 TYR 49 2HB TYR 49 -5.587 -0.458 8.507 362 HD1 TYR 49 1HD TYR 49 -8.447 1.826 9.043 363 HD2 TYR 49 2HD TYR 49 -4.356 1.484 7.925 364 HE1 TYR 49 1HE TYR 49 -8.211 4.270 9.182 365 HE2 TYR 49 2HE TYR 49 -4.108 3.927 8.062 366 HH TYR 49 HH TYR 49 -5.078 5.844 8.677 367 H GLU 50 H GLU 50 -9.399 -0.820 8.245 368 HA GLU 50 HA GLU 50 -11.153 0.349 6.396 369 HB2 GLU 50 1HB GLU 50 -11.324 -0.492 9.243 370 HB3 GLU 50 2HB GLU 50 -12.573 0.593 8.649 371 HG2 GLU 50 1HG GLU 50 -13.465 -0.966 7.252 372 HG3 GLU 50 2HG GLU 50 -11.931 -1.802 7.023 373 H LYS 51 H LYS 51 -10.844 2.389 5.728 374 HA LYS 51 HA LYS 51 -9.672 4.522 6.824 375 HB2 LYS 51 1HB LYS 51 -10.607 4.810 4.681 376 HB3 LYS 51 2HB LYS 51 -12.224 4.398 5.236 377 HG2 LYS 51 1HG LYS 51 -12.268 6.708 4.886 378 HG3 LYS 51 2HG LYS 51 -12.118 6.517 6.634 379 HD2 LYS 51 1HD LYS 51 -9.659 6.830 6.391 380 HD3 LYS 51 2HD LYS 51 -9.917 7.180 4.680 381 HE2 LYS 51 1HE LYS 51 -11.096 8.718 6.992 382 HE3 LYS 51 2HE LYS 51 -9.721 9.228 6.014 383 HZ1 LYS 51 1HZ LYS 51 -11.046 9.875 4.346 384 HZ2 LYS 51 2HZ LYS 51 -12.261 9.915 5.522 385 HZ3 LYS 51 3HZ LYS 51 -12.104 8.566 4.515 386 H ASP 52 H ASP 52 -13.062 3.652 7.478 387 HA ASP 52 HA ASP 52 -13.431 5.709 9.416 388 HB2 ASP 52 1HB ASP 52 -14.999 3.375 8.441 389 HB3 ASP 52 2HB ASP 52 -15.422 4.033 10.019 390 H LYS 53 H LYS 53 -12.629 2.275 9.576 391 HA LYS 53 HA LYS 53 -12.280 2.524 12.486 392 HB2 LYS 53 1HB LYS 53 -12.428 -0.007 10.840 393 HB3 LYS 53 2HB LYS 53 -12.434 0.111 12.595 394 HG2 LYS 53 1HG LYS 53 -14.575 1.280 10.835 395 HG3 LYS 53 2HG LYS 53 -14.660 -0.327 11.561 396 HD2 LYS 53 1HD LYS 53 -14.700 0.561 13.752 397 HD3 LYS 53 2HD LYS 53 -14.219 2.164 13.191 398 HE2 LYS 53 1HE LYS 53 -16.327 2.573 12.231 399 HE3 LYS 53 2HE LYS 53 -16.785 0.872 12.310 400 HZ1 LYS 53 1HZ LYS 53 -17.904 2.136 14.018 401 HZ2 LYS 53 2HZ LYS 53 -16.429 2.693 14.630 402 HZ3 LYS 53 3HZ LYS 53 -16.821 1.050 14.732 403 H GLU 54 H GLU 54 -10.252 3.144 12.916 404 HA GLU 54 HA GLU 54 -8.045 2.072 11.328 405 HB2 GLU 54 1HB GLU 54 -7.700 4.036 13.565 406 HB3 GLU 54 2HB GLU 54 -6.740 3.837 12.107 407 HG2 GLU 54 1HG GLU 54 -9.035 4.550 10.973 408 HG3 GLU 54 2HG GLU 54 -9.254 5.333 12.537 409 H MET 55 H MET 55 -8.575 2.687 14.805 410 HA MET 55 HA MET 55 -6.612 1.140 15.871 411 HB2 MET 55 1HB MET 55 -7.950 0.939 17.874 412 HB3 MET 55 2HB MET 55 -8.196 2.534 17.175 413 HG2 MET 55 1HG MET 55 -10.090 0.375 16.430 414 HG3 MET 55 2HG MET 55 -10.201 1.066 18.047 415 HE1 MET 55 1HE MET 55 -11.994 0.983 15.163 416 HE2 MET 55 2HE MET 55 -12.246 2.592 14.485 417 HE3 MET 55 3HE MET 55 -10.739 1.729 14.174 418 H GLN 56 H GLN 56 -9.417 0.046 14.189 419 HA GLN 56 HA GLN 56 -9.560 -2.586 15.202 420 HB2 GLN 56 1HB GLN 56 -10.549 -1.214 12.736 421 HB3 GLN 56 2HB GLN 56 -10.615 -2.969 12.820 422 HG2 GLN 56 1HG GLN 56 -11.790 -1.202 14.942 423 HG3 GLN 56 2HG GLN 56 -12.693 -1.718 13.519 424 HE21 GLN 56 1HE2 GLN 56 -12.414 -4.194 13.135 425 HE22 GLN 56 2HE2 GLN 56 -12.703 -5.175 14.527 426 H SER 57 H SER 57 -9.049 -4.563 13.971 427 HA SER 57 HA SER 57 -6.351 -4.832 13.455 428 HB2 SER 57 1HB SER 57 -7.770 -6.758 13.902 429 HB3 SER 57 2HB SER 57 -8.638 -6.505 12.387 430 HG SER 57 HG SER 57 -6.692 -8.074 12.612 431 H TYR 58 H TYR 58 -5.049 -4.714 11.688 432 HA TYR 58 HA TYR 58 -6.286 -3.749 9.193 433 HB2 TYR 58 1HB TYR 58 -4.425 -2.308 8.818 434 HB3 TYR 58 2HB TYR 58 -4.936 -2.043 10.481 435 HD1 TYR 58 2HD TYR 58 -3.568 -2.871 12.348 436 HD2 TYR 58 1HD TYR 58 -2.282 -3.276 8.313 437 HE1 TYR 58 2HE TYR 58 -1.282 -3.336 13.129 438 HE2 TYR 58 1HE TYR 58 0.007 -3.743 9.082 439 HH TYR 58 HH TYR 58 0.760 -4.546 12.225 440 H SER 59 H SER 59 -5.521 -4.548 7.258 441 HA SER 59 HA SER 59 -3.976 -7.022 7.473 442 HB2 SER 59 1HB SER 59 -5.809 -5.897 5.365 443 HB3 SER 59 2HB SER 59 -4.737 -7.254 5.018 444 HG SER 59 HG SER 59 -7.095 -7.285 6.249 445 H THR 60 H THR 60 -2.075 -7.380 6.402 446 HA THR 60 HA THR 60 -0.855 -5.028 5.108 447 HB THR 60 HB THR 60 0.636 -7.260 6.495 448 HG1 THR 60 1HG THR 60 0.172 -6.260 8.292 449 HG21 THR 60 1HG2 THR 60 2.476 -5.566 6.474 450 HG22 THR 60 2HG2 THR 60 1.459 -4.551 5.451 451 HG23 THR 60 3HG2 THR 60 1.996 -6.128 4.874 452 H LEU 61 H LEU 61 0.457 -5.355 3.283 453 HA LEU 61 HA LEU 61 0.277 -8.012 2.036 454 HB2 LEU 61 1HB LEU 61 -1.415 -6.500 1.077 455 HB3 LEU 61 2HB LEU 61 -0.134 -5.372 0.638 456 HG LEU 61 HG LEU 61 0.807 -7.334 -0.754 457 HD11 LEU 61 1HD1 LEU 61 -0.995 -8.839 -1.589 458 HD12 LEU 61 2HD1 LEU 61 -2.025 -8.248 -0.285 459 HD13 LEU 61 3HD1 LEU 61 -0.539 -9.119 0.092 460 HD21 LEU 61 1HD2 LEU 61 -0.220 -5.247 -1.629 461 HD22 LEU 61 2HD2 LEU 61 -1.785 -6.060 -1.619 462 HD23 LEU 61 3HD2 LEU 61 -0.488 -6.655 -2.657 463 H LYS 62 H LYS 62 2.009 -8.627 0.756 464 HA LYS 62 HA LYS 62 4.369 -6.870 0.917 465 HB2 LYS 62 1HB LYS 62 4.094 -9.860 1.081 466 HB3 LYS 62 2HB LYS 62 5.625 -9.113 0.645 467 HG2 LYS 62 1HG LYS 62 4.201 -8.249 3.122 468 HG3 LYS 62 2HG LYS 62 5.146 -9.739 3.115 469 HD2 LYS 62 1HD LYS 62 7.046 -8.332 2.158 470 HD3 LYS 62 2HD LYS 62 6.085 -6.925 2.619 471 HE2 LYS 62 1HE LYS 62 7.356 -7.171 4.503 472 HE3 LYS 62 2HE LYS 62 5.979 -8.185 4.933 473 HZ1 LYS 62 1HZ LYS 62 7.175 -10.109 4.571 474 HZ2 LYS 62 2HZ LYS 62 8.347 -9.097 5.250 475 HZ3 LYS 62 3HZ LYS 62 8.320 -9.356 3.579 476 H ALA 63 H ALA 63 5.198 -6.175 -0.938 477 HA ALA 63 HA ALA 63 4.687 -7.723 -3.388 478 HB1 ALA 63 1HB ALA 63 4.369 -4.751 -3.019 479 HB2 ALA 63 2HB ALA 63 4.448 -5.539 -4.596 480 HB3 ALA 63 3HB ALA 63 3.133 -5.921 -3.483 481 H VAL 64 H VAL 64 6.454 -8.128 -4.554 482 HA VAL 64 HA VAL 64 8.991 -7.021 -3.703 483 HB VAL 64 HB VAL 64 9.960 -8.571 -5.397 484 HG11 VAL 64 1HG1 VAL 64 8.153 -9.548 -3.222 485 HG12 VAL 64 2HG1 VAL 64 9.061 -10.691 -4.214 486 HG13 VAL 64 3HG1 VAL 64 9.914 -9.475 -3.262 487 HG21 VAL 64 1HG2 VAL 64 7.111 -9.492 -5.755 488 HG22 VAL 64 2HG2 VAL 64 8.026 -8.555 -6.936 489 HG23 VAL 64 3HG2 VAL 64 8.545 -10.186 -6.511 490 H THR 65 H THR 65 6.798 -6.766 -6.418 491 HA THR 65 HA THR 65 8.692 -5.088 -7.886 492 HB THR 65 HB THR 65 7.700 -6.555 -9.393 493 HG1 THR 65 1HG THR 65 7.440 -4.592 -10.346 494 HG21 THR 65 1HG2 THR 65 6.026 -7.583 -8.058 495 HG22 THR 65 2HG2 THR 65 5.194 -6.905 -9.458 496 HG23 THR 65 3HG2 THR 65 5.126 -6.075 -7.903 497 H THR 66 H THR 66 7.600 -3.155 -9.034 498 HA THR 66 HA THR 66 6.628 -1.405 -6.977 499 HB THR 66 HB THR 66 6.512 0.279 -8.870 500 HG1 THR 66 1HG THR 66 6.306 -1.094 -10.635 501 HG21 THR 66 1HG2 THR 66 8.878 0.607 -8.931 502 HG22 THR 66 2HG2 THR 66 9.182 -1.098 -8.602 503 HG23 THR 66 3HG2 THR 66 8.486 -0.069 -7.351 504 H ARG 67 H ARG 67 5.035 -3.719 -8.471 505 HA ARG 67 HA ARG 67 2.538 -2.168 -8.597 506 HB2 ARG 67 1HB ARG 67 3.218 -4.496 -10.400 507 HB3 ARG 67 2HB ARG 67 1.766 -3.506 -10.458 508 HG2 ARG 67 1HG ARG 67 2.881 -1.693 -11.372 509 HG3 ARG 67 2HG ARG 67 4.460 -2.264 -10.827 510 HD2 ARG 67 1HD ARG 67 2.925 -3.940 -12.748 511 HD3 ARG 67 2HD ARG 67 3.706 -2.478 -13.348 512 HE ARG 67 HE ARG 67 5.397 -4.231 -11.788 513 HH11 ARG 67 2HH1 ARG 67 4.259 -3.335 -14.954 514 HH12 ARG 67 1HH1 ARG 67 5.618 -4.024 -15.780 515 HH21 ARG 67 2HH2 ARG 67 7.191 -5.141 -12.864 516 HH22 ARG 67 1HH2 ARG 67 7.284 -5.051 -14.591 517 H ALA 68 H ALA 68 0.990 -2.904 -7.299 518 HA ALA 68 HA ALA 68 0.913 -5.739 -6.588 519 HB1 ALA 68 1HB ALA 68 2.249 -4.588 -4.848 520 HB2 ALA 68 2HB ALA 68 0.852 -3.569 -4.497 521 HB3 ALA 68 3HB ALA 68 0.764 -5.310 -4.225 522 H THR 69 H THR 69 -1.123 -6.385 -5.598 523 HA THR 69 HA THR 69 -3.334 -4.500 -6.017 524 HB THR 69 HB THR 69 -3.298 -7.341 -7.054 525 HG1 THR 69 1HG THR 69 -3.737 -5.096 -8.677 526 HG21 THR 69 1HG2 THR 69 -5.489 -5.971 -8.094 527 HG22 THR 69 2HG2 THR 69 -5.466 -5.545 -6.383 528 HG23 THR 69 3HG2 THR 69 -5.520 -7.239 -6.869 529 H VAL 70 H VAL 70 -3.953 -4.269 -3.937 530 HA VAL 70 HA VAL 70 -3.921 -6.354 -2.012 531 HB VAL 70 HB VAL 70 -5.359 -3.699 -2.001 532 HG11 VAL 70 1HG1 VAL 70 -6.371 -5.468 -0.517 533 HG12 VAL 70 2HG1 VAL 70 -4.847 -5.477 0.372 534 HG13 VAL 70 3HG1 VAL 70 -5.820 -4.007 0.303 535 HG21 VAL 70 1HG2 VAL 70 -3.488 -2.775 -1.165 536 HG22 VAL 70 2HG2 VAL 70 -3.108 -4.189 -0.182 537 HG23 VAL 70 3HG2 VAL 70 -2.684 -4.165 -1.894 538 H SER 71 H SER 71 -5.231 -8.048 -1.972 539 HA SER 71 HA SER 71 -7.990 -7.723 -2.956 540 HB2 SER 71 1HB SER 71 -7.979 -9.978 -3.685 541 HB3 SER 71 2HB SER 71 -6.422 -9.324 -4.193 542 HG SER 71 HG SER 71 -5.535 -10.827 -3.045 543 H GLY 72 H GLY 72 -9.614 -9.126 -1.903 544 HA2 GLY 72 1HA GLY 72 -10.554 -10.189 -0.058 545 HA3 GLY 72 2HA GLY 72 -8.991 -10.126 0.742 546 H LEU 73 H LEU 73 -10.850 -7.446 -0.632 547 HA LEU 73 HA LEU 73 -10.834 -6.194 2.026 548 HB2 LEU 73 1HB LEU 73 -11.290 -4.915 -0.664 549 HB3 LEU 73 2HB LEU 73 -11.120 -4.081 0.880 550 HG LEU 73 HG LEU 73 -8.931 -5.695 -0.425 551 HD11 LEU 73 1HD1 LEU 73 -9.240 -3.894 -1.881 552 HD12 LEU 73 2HD1 LEU 73 -7.959 -3.359 -0.793 553 HD13 LEU 73 3HD1 LEU 73 -9.608 -2.776 -0.567 554 HD21 LEU 73 1HD2 LEU 73 -9.249 -4.769 2.195 555 HD22 LEU 73 2HD2 LEU 73 -8.119 -3.652 1.430 556 HD23 LEU 73 3HD2 LEU 73 -7.776 -5.382 1.445 557 H LYS 74 H LYS 74 -12.740 -4.684 2.409 558 HA LYS 74 HA LYS 74 -15.189 -6.189 1.867 559 HB2 LYS 74 1HB LYS 74 -14.390 -4.166 3.934 560 HB3 LYS 74 2HB LYS 74 -16.091 -4.482 3.619 561 HG2 LYS 74 1HG LYS 74 -16.017 -6.570 4.523 562 HG3 LYS 74 2HG LYS 74 -14.317 -6.809 4.112 563 HD2 LYS 74 1HD LYS 74 -14.455 -6.604 6.483 564 HD3 LYS 74 2HD LYS 74 -13.750 -5.108 5.866 565 HE2 LYS 74 1HE LYS 74 -16.697 -5.372 6.370 566 HE3 LYS 74 2HE LYS 74 -15.577 -4.935 7.659 567 HZ1 LYS 74 1HZ LYS 74 -16.127 -2.882 6.894 568 HZ2 LYS 74 2HZ LYS 74 -16.394 -3.400 5.307 569 HZ3 LYS 74 3HZ LYS 74 -14.814 -3.188 5.872 570 HA PRO 75 HA PRO 75 -16.541 -3.232 -1.121 571 HB2 PRO 75 1HB PRO 75 -19.166 -3.924 -1.165 572 HB3 PRO 75 2HB PRO 75 -17.902 -4.902 -1.921 573 HG2 PRO 75 1HG PRO 75 -19.242 -5.259 0.732 574 HG3 PRO 75 2HG PRO 75 -18.833 -6.479 -0.488 575 HD2 PRO 75 1HD PRO 75 -17.328 -6.073 1.726 576 HD3 PRO 75 2HD PRO 75 -16.629 -6.590 0.179 577 H GLY 76 H GLY 76 -17.945 -1.387 -1.326 578 HA2 GLY 76 1HA GLY 76 -18.707 0.615 -0.473 579 HA3 GLY 76 2HA GLY 76 -19.809 -0.423 0.420 580 H THR 77 H THR 77 -16.295 -0.140 0.753 581 HA THR 77 HA THR 77 -16.626 1.207 3.324 582 HB THR 77 HB THR 77 -14.976 -1.314 3.117 583 HG1 THR 77 1HG THR 77 -17.010 -1.699 4.734 584 HG21 THR 77 1HG2 THR 77 -15.974 -0.228 5.687 585 HG22 THR 77 2HG2 THR 77 -14.690 0.675 4.884 586 HG23 THR 77 3HG2 THR 77 -14.444 -1.018 5.309 587 H ARG 78 H ARG 78 -15.270 2.865 3.343 588 HA ARG 78 HA ARG 78 -13.210 3.232 1.459 589 HB2 ARG 78 1HB ARG 78 -14.166 4.656 3.883 590 HB3 ARG 78 2HB ARG 78 -12.529 5.012 3.349 591 HG2 ARG 78 1HG ARG 78 -13.576 5.403 1.042 592 HG3 ARG 78 2HG ARG 78 -15.113 5.462 1.907 593 HD2 ARG 78 1HD ARG 78 -14.021 7.197 3.410 594 HD3 ARG 78 2HD ARG 78 -12.729 7.267 2.214 595 HE ARG 78 HE ARG 78 -14.880 7.682 0.691 596 HH11 ARG 78 2HH1 ARG 78 -13.932 9.067 3.741 597 HH12 ARG 78 1HH1 ARG 78 -14.717 10.583 3.445 598 HH21 ARG 78 2HH2 ARG 78 -15.918 9.674 0.290 599 HH22 ARG 78 1HH2 ARG 78 -15.847 10.927 1.482 600 H TYR 79 H TYR 79 -11.015 2.994 1.569 601 HA TYR 79 HA TYR 79 -9.900 1.793 4.010 602 HB2 TYR 79 1HB TYR 79 -9.858 0.722 1.226 603 HB3 TYR 79 2HB TYR 79 -8.428 0.486 2.225 604 HD1 TYR 79 2HD TYR 79 -8.673 -0.727 4.424 605 HD2 TYR 79 1HD TYR 79 -11.782 -0.612 1.522 606 HE1 TYR 79 2HE TYR 79 -9.737 -2.668 5.496 607 HE2 TYR 79 1HE TYR 79 -12.855 -2.552 2.586 608 HH TYR 79 HH TYR 79 -11.736 -4.609 4.216 609 H VAL 80 H VAL 80 -7.838 2.396 4.533 610 HA VAL 80 HA VAL 80 -6.688 4.553 2.898 611 HB VAL 80 HB VAL 80 -6.097 3.892 5.786 612 HG11 VAL 80 1HG1 VAL 80 -4.780 5.547 3.888 613 HG12 VAL 80 2HG1 VAL 80 -5.536 6.585 5.098 614 HG13 VAL 80 3HG1 VAL 80 -4.410 5.321 5.597 615 HG21 VAL 80 1HG2 VAL 80 -8.469 4.776 5.020 616 HG22 VAL 80 2HG2 VAL 80 -7.686 5.380 6.479 617 HG23 VAL 80 3HG2 VAL 80 -7.616 6.319 4.988 618 H PHE 81 H PHE 81 -5.206 3.772 1.535 619 HA PHE 81 HA PHE 81 -3.554 1.504 2.255 620 HB2 PHE 81 1HB PHE 81 -3.716 3.187 -0.250 621 HB3 PHE 81 2HB PHE 81 -2.614 1.828 -0.055 622 HD1 PHE 81 1HD PHE 81 -3.486 -0.460 0.119 623 HD2 PHE 81 2HD PHE 81 -6.040 2.856 -0.656 624 HE1 PHE 81 1HE PHE 81 -5.249 -1.999 -0.639 625 HE2 PHE 81 2HE PHE 81 -7.807 1.322 -1.414 626 HZ PHE 81 HZ PHE 81 -7.413 -1.109 -1.405 627 H GLN 82 H GLN 82 -1.260 1.531 2.274 628 HA GLN 82 HA GLN 82 0.146 4.048 2.239 629 HB2 GLN 82 1HB GLN 82 -0.266 2.519 4.805 630 HB3 GLN 82 2HB GLN 82 1.057 3.655 4.583 631 HG2 GLN 82 1HG GLN 82 -0.640 5.409 4.061 632 HG3 GLN 82 2HG GLN 82 -1.889 4.251 4.516 633 HE21 GLN 82 1HE2 GLN 82 -0.917 6.868 5.659 634 HE22 GLN 82 2HE2 GLN 82 -0.665 6.531 7.335 635 H VAL 83 H VAL 83 1.717 3.417 0.895 636 HA VAL 83 HA VAL 83 2.933 0.788 1.169 637 HB VAL 83 HB VAL 83 3.572 2.966 -0.824 638 HG11 VAL 83 1HG1 VAL 83 4.897 0.563 -0.197 639 HG12 VAL 83 2HG1 VAL 83 4.070 0.299 -1.733 640 HG13 VAL 83 3HG1 VAL 83 5.198 1.643 -1.557 641 HG21 VAL 83 1HG2 VAL 83 1.498 0.828 -0.788 642 HG22 VAL 83 2HG2 VAL 83 1.401 2.482 -1.392 643 HG23 VAL 83 3HG2 VAL 83 2.258 1.252 -2.322 644 H ARG 84 H ARG 84 5.070 0.405 1.678 645 HA ARG 84 HA ARG 84 6.757 2.675 2.411 646 HB2 ARG 84 1HB ARG 84 7.283 1.772 4.592 647 HB3 ARG 84 2HB ARG 84 5.543 1.996 4.462 648 HG2 ARG 84 1HG ARG 84 5.585 -0.518 3.727 649 HG3 ARG 84 2HG ARG 84 7.129 -0.518 4.581 650 HD2 ARG 84 1HD ARG 84 5.726 0.673 6.454 651 HD3 ARG 84 2HD ARG 84 4.371 -0.099 5.632 652 HE ARG 84 HE ARG 84 5.003 -2.049 6.612 653 HH11 ARG 84 2HH1 ARG 84 7.799 0.014 6.386 654 HH12 ARG 84 1HH1 ARG 84 8.847 -1.097 7.203 655 HH21 ARG 84 2HH2 ARG 84 6.374 -3.520 7.690 656 HH22 ARG 84 1HH2 ARG 84 8.035 -3.107 7.944 657 H ALA 85 H ALA 85 8.915 2.326 2.121 658 HA ALA 85 HA ALA 85 9.643 -0.221 0.866 659 HB1 ALA 85 1HB ALA 85 11.392 0.901 -0.223 660 HB2 ALA 85 2HB ALA 85 10.032 2.023 -0.274 661 HB3 ALA 85 3HB ALA 85 11.329 2.263 0.896 662 H ARG 86 H ARG 86 10.866 -1.657 1.895 663 HA ARG 86 HA ARG 86 12.321 -0.778 4.301 664 HB2 ARG 86 1HB ARG 86 11.781 -2.738 5.367 665 HB3 ARG 86 2HB ARG 86 10.360 -2.546 4.349 666 HG2 ARG 86 1HG ARG 86 11.621 -4.006 2.657 667 HG3 ARG 86 2HG ARG 86 12.670 -4.420 4.015 668 HD2 ARG 86 1HD ARG 86 9.698 -4.631 4.282 669 HD3 ARG 86 2HD ARG 86 10.609 -5.909 3.479 670 HE ARG 86 HE ARG 86 11.961 -5.674 5.760 671 HH11 ARG 86 2HH1 ARG 86 8.535 -5.831 5.158 672 HH12 ARG 86 1HH1 ARG 86 8.172 -6.587 6.673 673 HH21 ARG 86 2HH2 ARG 86 11.495 -6.669 7.758 674 HH22 ARG 86 1HH2 ARG 86 9.855 -7.063 8.152 675 H THR 87 H THR 87 14.414 -1.522 4.658 676 HA THR 87 HA THR 87 15.702 -2.890 2.390 677 HB THR 87 HB THR 87 17.741 -1.494 2.844 678 HG1 THR 87 1HG THR 87 16.421 -0.740 4.945 679 HG21 THR 87 1HG2 THR 87 17.030 -0.354 1.068 680 HG22 THR 87 2HG2 THR 87 16.036 0.660 2.112 681 HG23 THR 87 3HG2 THR 87 15.369 -0.822 1.428 682 H SER 88 H SER 88 17.820 -3.868 2.971 683 HA SER 88 HA SER 88 17.622 -5.707 4.997 684 HB2 SER 88 1HB SER 88 19.268 -5.900 3.199 685 HB3 SER 88 2HB SER 88 20.162 -4.524 3.845 686 HG SER 88 HG SER 88 20.467 -7.049 4.473 687 H ALA 89 H ALA 89 19.156 -2.519 5.119 688 HA ALA 89 HA ALA 89 20.198 -2.722 7.724 689 HB1 ALA 89 1HB ALA 89 19.365 -0.296 6.141 690 HB2 ALA 89 2HB ALA 89 20.266 -0.242 7.656 691 HB3 ALA 89 3HB ALA 89 20.977 -1.005 6.234 692 H GLY 90 H GLY 90 17.293 -0.933 6.651 693 HA2 GLY 90 1HA GLY 90 15.788 -1.866 8.925 694 HA3 GLY 90 2HA GLY 90 16.250 -0.174 9.041 695 H CYS 91 H CYS 91 13.857 0.062 9.095 696 HA CYS 91 HA CYS 91 12.813 0.251 6.348 697 HB2 CYS 91 1HB CYS 91 10.574 -0.266 7.200 698 HB3 CYS 91 2HB CYS 91 11.694 -1.580 7.539 699 HG CYS 91 HG CYS 91 11.266 -1.670 10.064 700 H GLY 92 H GLY 92 11.494 2.034 5.877 701 HA2 GLY 92 1HA GLY 92 11.850 4.271 7.755 702 HA3 GLY 92 2HA GLY 92 11.583 4.425 6.025 703 H ARG 93 H ARG 93 10.042 6.032 7.285 704 HA ARG 93 HA ARG 93 7.650 4.962 8.373 705 HB2 ARG 93 1HB ARG 93 8.170 7.692 7.182 706 HB3 ARG 93 2HB ARG 93 6.778 7.254 8.162 707 HG2 ARG 93 1HG ARG 93 8.461 6.644 9.978 708 HG3 ARG 93 2HG ARG 93 9.644 7.515 8.999 709 HD2 ARG 93 1HD ARG 93 7.036 8.703 9.926 710 HD3 ARG 93 2HD ARG 93 8.553 8.868 10.809 711 HE ARG 93 HE ARG 93 9.229 9.772 8.381 712 HH11 ARG 93 2HH1 ARG 93 6.515 10.480 10.444 713 HH12 ARG 93 1HH1 ARG 93 6.333 12.103 9.866 714 HH21 ARG 93 2HH2 ARG 93 8.998 11.907 7.612 715 HH22 ARG 93 1HH2 ARG 93 7.745 12.913 8.255 716 H PHE 94 H PHE 94 5.470 5.398 7.410 717 HA PHE 94 HA PHE 94 5.161 4.020 5.004 718 HB2 PHE 94 1HB PHE 94 3.378 5.670 6.729 719 HB3 PHE 94 2HB PHE 94 2.820 5.286 5.104 720 HD1 PHE 94 1HD PHE 94 3.205 2.703 4.469 721 HD2 PHE 94 2HD PHE 94 2.726 4.257 8.403 722 HE1 PHE 94 1HE PHE 94 2.456 0.493 5.248 723 HE2 PHE 94 2HE PHE 94 1.978 2.049 9.188 724 HZ PHE 94 HZ PHE 94 1.843 0.163 7.610 725 H SER 95 H SER 95 3.853 5.001 3.110 726 HA SER 95 HA SER 95 5.491 7.091 1.982 727 HB2 SER 95 1HB SER 95 4.165 6.690 -0.072 728 HB3 SER 95 2HB SER 95 4.839 5.199 0.584 729 HG SER 95 HG SER 95 2.767 4.848 1.574 730 H GLN 96 H GLN 96 1.947 6.729 1.971 731 HA GLN 96 HA GLN 96 1.536 9.306 3.162 732 HB2 GLN 96 1HB GLN 96 1.191 8.917 0.204 733 HB3 GLN 96 2HB GLN 96 0.208 10.085 1.077 734 HG2 GLN 96 1HG GLN 96 2.371 11.085 1.913 735 HG3 GLN 96 2HG GLN 96 3.189 10.065 0.731 736 HE21 GLN 96 1HE2 GLN 96 3.268 12.880 0.770 737 HE22 GLN 96 2HE2 GLN 96 2.513 13.456 -0.673 738 H ALA 97 H ALA 97 -0.811 9.860 3.258 739 HA ALA 97 HA ALA 97 -2.340 7.417 3.703 740 HB1 ALA 97 1HB ALA 97 -2.080 9.615 5.233 741 HB2 ALA 97 2HB ALA 97 -3.554 10.023 4.353 742 HB3 ALA 97 3HB ALA 97 -3.474 8.537 5.299 743 H MET 98 H MET 98 -3.230 6.700 1.844 744 HA MET 98 HA MET 98 -4.671 8.631 0.160 745 HB2 MET 98 1HB MET 98 -2.998 7.384 -1.058 746 HB3 MET 98 2HB MET 98 -3.632 5.860 -0.450 747 HG2 MET 98 1HG MET 98 -5.458 5.904 -1.842 748 HG3 MET 98 2HG MET 98 -5.413 7.657 -2.020 749 HE1 MET 98 1HE MET 98 -4.954 5.681 -5.454 750 HE2 MET 98 2HE MET 98 -4.627 4.434 -4.251 751 HE3 MET 98 3HE MET 98 -5.984 5.539 -4.030 752 H GLU 99 H GLU 99 -6.827 8.565 0.015 753 HA GLU 99 HA GLU 99 -8.223 6.411 1.440 754 HB2 GLU 99 1HB GLU 99 -9.252 9.117 0.569 755 HB3 GLU 99 2HB GLU 99 -10.132 7.940 1.534 756 HG2 GLU 99 1HG GLU 99 -8.909 8.360 3.420 757 HG3 GLU 99 2HG GLU 99 -7.497 8.904 2.516 758 H VAL 100 H VAL 100 -9.295 4.915 0.341 759 HA VAL 100 HA VAL 100 -10.329 5.560 -2.330 760 HB VAL 100 HB VAL 100 -8.773 3.059 -1.655 761 HG11 VAL 100 1HG1 VAL 100 -9.678 2.069 -3.427 762 HG12 VAL 100 2HG1 VAL 100 -10.828 3.405 -3.517 763 HG13 VAL 100 3HG1 VAL 100 -9.332 3.463 -4.450 764 HG21 VAL 100 1HG2 VAL 100 -7.923 4.767 -3.887 765 HG22 VAL 100 2HG2 VAL 100 -7.748 5.495 -2.290 766 HG23 VAL 100 3HG2 VAL 100 -6.965 3.956 -2.648 767 H GLU 101 H GLU 101 -12.326 4.796 -2.727 768 HA GLU 101 HA GLU 101 -13.540 3.081 -0.669 769 HB2 GLU 101 1HB GLU 101 -14.411 5.482 -1.334 770 HB3 GLU 101 2HB GLU 101 -15.172 4.605 -2.654 771 HG2 GLU 101 1HG GLU 101 -16.012 3.049 -0.722 772 HG3 GLU 101 2HG GLU 101 -15.707 4.475 0.268 773 H THR 102 H THR 102 -13.980 1.054 -1.193 774 HA THR 102 HA THR 102 -13.631 0.075 -3.851 775 HB THR 102 HB THR 102 -14.336 -2.108 -2.928 776 HG1 THR 102 1HG THR 102 -14.916 -0.508 -0.654 777 HG21 THR 102 1HG2 THR 102 -12.593 -1.682 -0.790 778 HG22 THR 102 2HG2 THR 102 -12.123 -0.493 -2.004 779 HG23 THR 102 3HG2 THR 102 -12.165 -2.206 -2.418 780 H GLY 103 H GLY 103 -15.257 -1.195 -5.027 781 HA2 GLY 103 1HA GLY 103 -17.577 0.273 -5.553 782 HA3 GLY 103 2HA GLY 103 -17.292 -1.382 -6.070 783 H LYS 104 H LYS 104 -19.580 0.298 -4.749 784 HA LYS 104 HA LYS 104 -20.172 -0.910 -2.278 785 HB2 LYS 104 1HB LYS 104 -21.808 0.526 -4.343 786 HB3 LYS 104 2HB LYS 104 -22.593 -0.233 -2.964 787 HG2 LYS 104 1HG LYS 104 -20.299 1.575 -2.437 788 HG3 LYS 104 2HG LYS 104 -21.837 2.293 -2.924 789 HD2 LYS 104 1HD LYS 104 -22.907 0.907 -1.093 790 HD3 LYS 104 2HD LYS 104 -21.271 0.554 -0.532 791 HE2 LYS 104 1HE LYS 104 -22.399 3.329 -0.879 792 HE3 LYS 104 2HE LYS 104 -22.361 2.453 0.651 793 HZ1 LYS 104 1HZ LYS 104 -20.172 3.680 -0.845 794 HZ2 LYS 104 2HZ LYS 104 -19.828 2.259 0.005 795 HZ3 LYS 104 3HZ LYS 104 -20.433 3.609 0.825 796 HA PRO 105 HA PRO 105 -21.583 -4.930 -3.352 797 HB2 PRO 105 1HB PRO 105 -23.391 -5.357 -1.372 798 HB3 PRO 105 2HB PRO 105 -21.645 -5.365 -1.096 799 HG2 PRO 105 1HG PRO 105 -23.631 -3.181 -0.597 800 HG3 PRO 105 2HG PRO 105 -22.288 -3.727 0.424 801 HD2 PRO 105 1HD PRO 105 -22.127 -1.522 -1.140 802 HD3 PRO 105 2HD PRO 105 -20.722 -2.549 -0.790 803 H SER 106 H SER 106 -23.237 -5.994 -4.408 804 HA SER 106 HA SER 106 -25.724 -4.478 -4.842 805 HB2 SER 106 1HB SER 106 -23.898 -5.745 -6.863 806 HB3 SER 106 2HB SER 106 -25.619 -5.575 -7.206 807 HG SER 106 HG SER 106 -24.160 -3.362 -6.277 808 H GLY 107 H GLY 107 -27.446 -5.933 -5.875 809 HA2 GLY 107 1HA GLY 107 -27.507 -8.418 -4.315 810 HA3 GLY 107 2HA GLY 107 -28.904 -7.588 -4.985 811 HA PRO 108 HA PRO 108 -27.189 -11.091 -7.776 812 HB2 PRO 108 1HB PRO 108 -28.790 -13.140 -6.993 813 HB3 PRO 108 2HB PRO 108 -27.203 -12.833 -6.277 814 HG2 PRO 108 1HG PRO 108 -29.919 -12.101 -5.251 815 HG3 PRO 108 2HG PRO 108 -28.530 -12.762 -4.368 816 HD2 PRO 108 1HD PRO 108 -29.170 -10.131 -4.318 817 HD3 PRO 108 2HD PRO 108 -27.495 -10.709 -4.207 818 H SER 109 H SER 109 -29.931 -9.361 -7.124 819 HA SER 109 HA SER 109 -31.944 -10.560 -8.631 820 HB2 SER 109 1HB SER 109 -32.953 -8.336 -8.766 821 HB3 SER 109 2HB SER 109 -32.300 -8.611 -7.151 822 HG SER 109 HG SER 109 -31.542 -6.649 -7.668 823 H SER 110 H SER 110 -32.292 -10.821 -10.744 824 HA SER 110 HA SER 110 -30.242 -10.112 -12.617 825 HB2 SER 110 1HB SER 110 -32.920 -11.475 -12.907 826 HB3 SER 110 2HB SER 110 -31.872 -11.143 -14.285 827 HG SER 110 HG SER 110 -30.909 -12.509 -12.013 828 H GLY 111 H GLY 111 -30.654 -8.950 -14.637 829 HA2 GLY 111 1HA GLY 111 -32.895 -7.104 -14.673 830 HA3 GLY 111 2HA GLY 111 -31.321 -6.362 -14.425 Start of MODEL 15 1 H1 GLY 1 H GLY 1 11.897 10.433 21.568 2 HA2 GLY 1 1HA GLY 1 12.892 8.252 20.504 3 HA3 GLY 1 2HA GLY 1 12.988 9.300 19.096 4 H SER 2 H SER 2 14.713 10.594 18.868 5 HA SER 2 HA SER 2 16.722 11.586 19.269 6 HB2 SER 2 1HB SER 2 15.315 12.606 21.174 7 HB3 SER 2 2HB SER 2 16.146 11.458 22.224 8 HG SER 2 HG SER 2 18.135 12.380 21.380 9 H SER 3 H SER 3 16.701 8.832 18.953 10 HA SER 3 HA SER 3 18.579 7.804 20.953 11 HB2 SER 3 1HB SER 3 16.557 6.449 20.295 12 HB3 SER 3 2HB SER 3 17.270 6.283 18.690 13 HG SER 3 HG SER 3 18.888 5.075 19.519 14 H GLY 4 H GLY 4 20.682 7.892 20.556 15 HA2 GLY 4 1HA GLY 4 21.630 8.494 17.876 16 HA3 GLY 4 2HA GLY 4 22.596 8.463 19.344 17 H SER 5 H SER 5 21.767 6.816 16.516 18 HA SER 5 HA SER 5 23.312 4.482 17.411 19 HB2 SER 5 1HB SER 5 20.782 4.069 17.293 20 HB3 SER 5 2HB SER 5 20.958 4.217 15.545 21 HG SER 5 HG SER 5 22.292 2.356 17.225 22 H SER 6 H SER 6 24.558 3.460 15.817 23 HA SER 6 HA SER 6 25.089 5.152 13.478 24 HB2 SER 6 1HB SER 6 26.895 4.440 15.230 25 HB3 SER 6 2HB SER 6 26.882 2.909 14.355 26 HG SER 6 HG SER 6 27.439 5.485 13.303 27 H GLY 7 H GLY 7 25.919 3.890 11.518 28 HA2 GLY 7 1HA GLY 7 25.759 1.579 10.506 29 HA3 GLY 7 2HA GLY 7 24.097 1.607 11.076 30 H GLN 8 H GLN 8 23.339 1.299 8.946 31 HA GLN 8 HA GLN 8 23.902 3.374 6.985 32 HB2 GLN 8 1HB GLN 8 22.146 0.923 6.768 33 HB3 GLN 8 2HB GLN 8 22.596 1.989 5.444 34 HG2 GLN 8 1HG GLN 8 24.565 0.407 7.076 35 HG3 GLN 8 2HG GLN 8 23.880 -0.135 5.545 36 HE21 GLN 8 1HE2 GLN 8 24.995 0.319 3.791 37 HE22 GLN 8 2HE2 GLN 8 26.193 1.554 3.637 38 H ALA 9 H ALA 9 22.274 4.639 5.992 39 HA ALA 9 HA ALA 9 20.263 5.554 7.818 40 HB1 ALA 9 1HB ALA 9 20.268 7.418 6.585 41 HB2 ALA 9 2HB ALA 9 21.663 6.711 5.767 42 HB3 ALA 9 3HB ALA 9 20.050 6.530 5.076 43 H ALA 10 H ALA 10 17.980 5.805 7.211 44 HA ALA 10 HA ALA 10 16.940 3.309 6.182 45 HB1 ALA 10 1HB ALA 10 15.909 5.549 7.782 46 HB2 ALA 10 2HB ALA 10 14.735 4.787 6.708 47 HB3 ALA 10 3HB ALA 10 15.591 3.818 7.908 48 HA PRO 11 HA PRO 11 15.751 4.573 2.152 49 HB2 PRO 11 1HB PRO 11 13.265 3.516 1.885 50 HB3 PRO 11 2HB PRO 11 14.732 2.529 1.900 51 HG2 PRO 11 1HG PRO 11 12.795 3.075 4.115 52 HG3 PRO 11 2HG PRO 11 13.565 1.546 3.654 53 HD2 PRO 11 1HD PRO 11 14.442 3.053 5.726 54 HD3 PRO 11 2HD PRO 11 15.535 2.068 4.731 55 H SER 12 H SER 12 14.015 5.694 0.861 56 HA SER 12 HA SER 12 13.011 7.950 2.418 57 HB2 SER 12 1HB SER 12 14.367 8.299 0.325 58 HB3 SER 12 2HB SER 12 13.021 7.619 -0.589 59 HG SER 12 HG SER 12 13.291 10.089 -0.014 60 H GLN 13 H GLN 13 10.933 8.223 2.903 61 HA GLN 13 HA GLN 13 9.003 6.256 2.502 62 HB2 GLN 13 1HB GLN 13 8.769 7.841 4.294 63 HB3 GLN 13 2HB GLN 13 8.700 9.186 3.163 64 HG2 GLN 13 1HG GLN 13 6.586 8.206 2.259 65 HG3 GLN 13 2HG GLN 13 6.635 7.042 3.583 66 HE21 GLN 13 1HE2 GLN 13 4.582 8.948 3.074 67 HE22 GLN 13 2HE2 GLN 13 4.517 10.014 4.432 68 H VAL 14 H VAL 14 7.777 5.720 0.824 69 HA VAL 14 HA VAL 14 7.985 7.037 -1.671 70 HB VAL 14 HB VAL 14 6.007 4.955 -0.735 71 HG11 VAL 14 1HG1 VAL 14 6.387 6.314 -3.354 72 HG12 VAL 14 2HG1 VAL 14 5.974 4.598 -3.347 73 HG13 VAL 14 3HG1 VAL 14 4.906 5.767 -2.569 74 HG21 VAL 14 1HG2 VAL 14 8.225 4.086 -0.667 75 HG22 VAL 14 2HG2 VAL 14 7.458 3.450 -2.122 76 HG23 VAL 14 3HG2 VAL 14 8.610 4.780 -2.242 77 H VAL 15 H VAL 15 6.943 8.759 -2.412 78 HA VAL 15 HA VAL 15 4.416 9.540 -1.108 79 HB VAL 15 HB VAL 15 4.978 11.877 -1.849 80 HG11 VAL 15 1HG1 VAL 15 5.283 11.128 0.461 81 HG12 VAL 15 2HG1 VAL 15 6.914 10.580 0.069 82 HG13 VAL 15 3HG1 VAL 15 6.517 12.298 -0.006 83 HG21 VAL 15 1HG2 VAL 15 6.769 12.309 -3.094 84 HG22 VAL 15 2HG2 VAL 15 7.827 11.469 -1.960 85 HG23 VAL 15 3HG2 VAL 15 7.019 10.570 -3.244 86 H VAL 16 H VAL 16 5.122 7.883 -3.598 87 HA VAL 16 HA VAL 16 3.341 9.345 -5.435 88 HB VAL 16 HB VAL 16 5.481 9.429 -6.467 89 HG11 VAL 16 1HG1 VAL 16 5.740 6.449 -6.101 90 HG12 VAL 16 2HG1 VAL 16 6.948 7.560 -6.749 91 HG13 VAL 16 3HG1 VAL 16 6.494 7.643 -5.046 92 HG21 VAL 16 1HG2 VAL 16 4.445 8.963 -8.378 93 HG22 VAL 16 2HG2 VAL 16 4.915 7.276 -8.174 94 HG23 VAL 16 3HG2 VAL 16 3.357 7.837 -7.566 95 H ILE 17 H ILE 17 1.450 8.304 -5.211 96 HA ILE 17 HA ILE 17 1.393 5.454 -5.858 97 HB ILE 17 HB ILE 17 0.020 6.634 -3.441 98 HG12 ILE 17 1HG1 ILE 17 2.017 4.374 -3.556 99 HG13 ILE 17 2HG1 ILE 17 2.490 6.048 -3.290 100 HG21 ILE 17 1HG2 ILE 17 -0.164 3.875 -4.640 101 HG22 ILE 17 2HG2 ILE 17 -0.805 4.334 -3.064 102 HG23 ILE 17 3HG2 ILE 17 -1.457 5.068 -4.528 103 HD11 ILE 17 1HD1 ILE 17 2.128 4.446 -1.278 104 HD12 ILE 17 2HD1 ILE 17 1.564 6.115 -1.193 105 HD13 ILE 17 3HD1 ILE 17 0.423 4.815 -1.537 106 H ARG 18 H ARG 18 -0.408 4.805 -6.973 107 HA ARG 18 HA ARG 18 -2.607 6.705 -7.311 108 HB2 ARG 18 1HB ARG 18 -1.425 5.371 -9.729 109 HB3 ARG 18 2HB ARG 18 -2.495 6.764 -9.650 110 HG2 ARG 18 1HG ARG 18 -0.799 8.222 -9.223 111 HG3 ARG 18 2HG ARG 18 0.189 7.006 -8.411 112 HD2 ARG 18 1HD ARG 18 1.360 7.265 -10.365 113 HD3 ARG 18 2HD ARG 18 0.284 5.939 -10.804 114 HE ARG 18 HE ARG 18 -0.831 7.348 -12.251 115 HH11 ARG 18 2HH1 ARG 18 1.393 9.165 -10.283 116 HH12 ARG 18 1HH1 ARG 18 1.248 10.612 -11.226 117 HH21 ARG 18 2HH2 ARG 18 -1.030 9.246 -13.500 118 HH22 ARG 18 1HH2 ARG 18 -0.131 10.657 -13.055 119 H GLN 19 H GLN 19 -4.383 5.645 -8.705 120 HA GLN 19 HA GLN 19 -4.705 2.885 -7.750 121 HB2 GLN 19 1HB GLN 19 -6.426 4.307 -6.900 122 HB3 GLN 19 2HB GLN 19 -6.718 5.008 -8.486 123 HG2 GLN 19 1HG GLN 19 -7.252 2.480 -9.082 124 HG3 GLN 19 2HG GLN 19 -7.609 2.421 -7.356 125 HE21 GLN 19 1HE2 GLN 19 -8.984 4.330 -6.600 126 HE22 GLN 19 2HE2 GLN 19 -10.340 4.723 -7.595 127 H GLU 20 H GLU 20 -4.853 1.245 -9.147 128 HA GLU 20 HA GLU 20 -4.807 1.875 -12.005 129 HB2 GLU 20 1HB GLU 20 -3.713 -0.271 -10.320 130 HB3 GLU 20 2HB GLU 20 -4.404 -0.827 -11.837 131 HG2 GLU 20 1HG GLU 20 -2.456 1.443 -11.769 132 HG3 GLU 20 2HG GLU 20 -1.910 -0.233 -11.761 133 H ARG 21 H ARG 21 -6.135 -0.850 -10.131 134 HA ARG 21 HA ARG 21 -8.435 -0.894 -11.940 135 HB2 ARG 21 1HB ARG 21 -7.479 -2.913 -9.903 136 HB3 ARG 21 2HB ARG 21 -8.888 -3.117 -10.934 137 HG2 ARG 21 1HG ARG 21 -7.265 -2.791 -12.890 138 HG3 ARG 21 2HG ARG 21 -5.995 -3.080 -11.699 139 HD2 ARG 21 1HD ARG 21 -7.047 -5.228 -11.128 140 HD3 ARG 21 2HD ARG 21 -8.277 -4.938 -12.357 141 HE ARG 21 HE ARG 21 -5.555 -4.874 -13.321 142 HH11 ARG 21 2HH1 ARG 21 -8.383 -6.818 -12.737 143 HH12 ARG 21 1HH1 ARG 21 -7.943 -8.036 -13.888 144 HH21 ARG 21 2HH2 ARG 21 -4.965 -6.470 -14.840 145 HH22 ARG 21 1HH2 ARG 21 -5.999 -7.838 -15.083 146 H ALA 22 H ALA 22 -7.978 -1.505 -8.454 147 HA ALA 22 HA ALA 22 -9.160 -0.831 -6.626 148 HB1 ALA 22 1HB ALA 22 -9.196 1.379 -8.319 149 HB2 ALA 22 2HB ALA 22 -10.871 1.169 -7.808 150 HB3 ALA 22 3HB ALA 22 -9.597 1.348 -6.602 151 H GLY 23 H GLY 23 -10.098 -3.007 -8.083 152 HA2 GLY 23 1HA GLY 23 -12.760 -2.990 -8.860 153 HA3 GLY 23 2HA GLY 23 -11.934 -4.382 -8.175 154 H GLN 24 H GLN 24 -14.177 -4.765 -7.362 155 HA GLN 24 HA GLN 24 -15.191 -3.073 -5.288 156 HB2 GLN 24 1HB GLN 24 -16.354 -4.897 -6.874 157 HB3 GLN 24 2HB GLN 24 -16.072 -5.903 -5.459 158 HG2 GLN 24 1HG GLN 24 -17.154 -3.792 -4.250 159 HG3 GLN 24 2HG GLN 24 -17.909 -3.619 -5.833 160 HE21 GLN 24 1HE2 GLN 24 -19.950 -4.191 -5.329 161 HE22 GLN 24 2HE2 GLN 24 -20.409 -5.748 -4.739 162 H THR 25 H THR 25 -13.973 -6.428 -5.219 163 HA THR 25 HA THR 25 -13.353 -6.078 -2.373 164 HB THR 25 HB THR 25 -13.099 -8.541 -2.319 165 HG1 THR 25 1HG THR 25 -12.714 -8.452 -4.796 166 HG21 THR 25 1HG2 THR 25 -15.229 -8.088 -1.654 167 HG22 THR 25 2HG2 THR 25 -15.611 -8.944 -3.148 168 HG23 THR 25 3HG2 THR 25 -15.608 -7.181 -3.118 169 H SER 26 H SER 26 -11.786 -5.306 -4.964 170 HA SER 26 HA SER 26 -9.193 -6.056 -3.869 171 HB2 SER 26 1HB SER 26 -8.325 -6.984 -5.872 172 HB3 SER 26 2HB SER 26 -9.890 -7.763 -5.641 173 HG SER 26 HG SER 26 -10.765 -6.389 -7.182 174 H VAL 27 H VAL 27 -7.461 -4.718 -4.600 175 HA VAL 27 HA VAL 27 -8.092 -2.439 -6.284 176 HB VAL 27 HB VAL 27 -7.257 -2.055 -3.405 177 HG11 VAL 27 1HG1 VAL 27 -7.137 0.268 -3.831 178 HG12 VAL 27 2HG1 VAL 27 -6.215 -0.513 -5.118 179 HG13 VAL 27 3HG1 VAL 27 -7.844 0.084 -5.436 180 HG21 VAL 27 1HG2 VAL 27 -9.419 -0.723 -3.355 181 HG22 VAL 27 2HG2 VAL 27 -9.823 -1.515 -4.878 182 HG23 VAL 27 3HG2 VAL 27 -9.577 -2.479 -3.422 183 H SER 28 H SER 28 -6.323 -1.598 -7.286 184 HA SER 28 HA SER 28 -3.723 -2.789 -6.572 185 HB2 SER 28 1HB SER 28 -4.662 -3.498 -8.782 186 HB3 SER 28 2HB SER 28 -4.591 -1.814 -9.303 187 HG SER 28 HG SER 28 -2.258 -2.037 -8.628 188 H LEU 29 H LEU 29 -1.989 -1.483 -6.289 189 HA LEU 29 HA LEU 29 -2.434 1.411 -6.620 190 HB2 LEU 29 1HB LEU 29 -0.765 -0.035 -4.568 191 HB3 LEU 29 2HB LEU 29 -0.839 1.715 -4.757 192 HG LEU 29 HG LEU 29 -3.122 -0.079 -3.934 193 HD11 LEU 29 1HD1 LEU 29 -1.033 0.690 -2.393 194 HD12 LEU 29 2HD1 LEU 29 -2.661 0.388 -1.787 195 HD13 LEU 29 3HD1 LEU 29 -2.146 2.036 -2.146 196 HD21 LEU 29 1HD2 LEU 29 -4.123 2.231 -3.379 197 HD22 LEU 29 2HD2 LEU 29 -4.145 1.682 -5.055 198 HD23 LEU 29 3HD2 LEU 29 -2.935 2.852 -4.525 199 H LEU 30 H LEU 30 -0.819 2.652 -7.513 200 HA LEU 30 HA LEU 30 1.486 1.178 -8.610 201 HB2 LEU 30 1HB LEU 30 -0.380 3.127 -9.848 202 HB3 LEU 30 2HB LEU 30 1.311 3.185 -10.339 203 HG LEU 30 HG LEU 30 -0.747 1.090 -10.845 204 HD11 LEU 30 1HD1 LEU 30 1.033 1.222 -12.936 205 HD12 LEU 30 2HD1 LEU 30 0.978 2.884 -12.351 206 HD13 LEU 30 3HD1 LEU 30 -0.510 2.069 -12.833 207 HD21 LEU 30 1HD2 LEU 30 0.799 -0.334 -9.861 208 HD22 LEU 30 2HD2 LEU 30 2.179 0.616 -10.414 209 HD23 LEU 30 3HD2 LEU 30 1.264 -0.363 -11.563 210 H TRP 31 H TRP 31 3.373 1.838 -7.849 211 HA TRP 31 HA TRP 31 3.775 4.678 -7.264 212 HB2 TRP 31 1HB TRP 31 4.755 4.251 -5.109 213 HB3 TRP 31 2HB TRP 31 3.163 3.498 -5.140 214 HD1 TRP 31 HD TRP 31 6.866 2.665 -4.906 215 HE1 TRP 31 1HE TRP 31 7.127 0.174 -4.313 216 HE3 TRP 31 3HE TRP 31 1.997 1.193 -5.421 217 HZ2 TRP 31 2HZ TRP 31 5.486 -2.112 -4.093 218 HZ3 TRP 31 3HZ TRP 31 1.427 -1.163 -5.002 219 HH2 TRP 31 HH TRP 31 3.137 -2.780 -4.352 220 H GLN 32 H GLN 32 5.722 5.426 -7.882 221 HA GLN 32 HA GLN 32 7.540 3.537 -9.152 222 HB2 GLN 32 1HB GLN 32 8.512 5.404 -10.248 223 HB3 GLN 32 2HB GLN 32 6.774 5.673 -10.268 224 HG2 GLN 32 1HG GLN 32 6.886 7.440 -8.840 225 HG3 GLN 32 2HG GLN 32 8.329 6.835 -8.028 226 HE21 GLN 32 1HE2 GLN 32 7.177 9.149 -10.060 227 HE22 GLN 32 2HE2 GLN 32 8.651 9.618 -10.829 228 H GLU 33 H GLU 33 9.931 3.979 -8.893 229 HA GLU 33 HA GLU 33 10.754 3.466 -6.310 230 HB2 GLU 33 1HB GLU 33 12.120 4.379 -8.788 231 HB3 GLU 33 2HB GLU 33 13.011 4.520 -7.279 232 HG2 GLU 33 1HG GLU 33 13.180 2.268 -6.999 233 HG3 GLU 33 2HG GLU 33 11.683 1.935 -7.869 234 HA PRO 34 HA PRO 34 10.475 7.347 -4.231 235 HB2 PRO 34 1HB PRO 34 12.080 6.765 -2.121 236 HB3 PRO 34 2HB PRO 34 10.442 6.122 -2.288 237 HG2 PRO 34 1HG PRO 34 13.062 4.816 -2.913 238 HG3 PRO 34 2HG PRO 34 11.639 4.137 -2.101 239 HD2 PRO 34 1HD PRO 34 12.197 3.659 -4.707 240 HD3 PRO 34 2HD PRO 34 10.535 3.749 -4.087 241 H GLU 35 H GLU 35 11.725 9.193 -3.734 242 HA GLU 35 HA GLU 35 13.614 10.048 -5.419 243 HB2 GLU 35 1HB GLU 35 13.619 10.633 -2.452 244 HB3 GLU 35 2HB GLU 35 14.426 11.596 -3.681 245 HG2 GLU 35 1HG GLU 35 12.065 11.782 -4.730 246 HG3 GLU 35 2HG GLU 35 11.509 11.302 -3.128 247 H GLN 36 H GLN 36 14.616 8.865 -2.206 248 HA GLN 36 HA GLN 36 16.905 7.537 -3.466 249 HB2 GLN 36 1HB GLN 36 16.987 9.655 -1.350 250 HB3 GLN 36 2HB GLN 36 18.219 8.400 -1.372 251 HG2 GLN 36 1HG GLN 36 18.397 9.103 -3.905 252 HG3 GLN 36 2HG GLN 36 17.723 10.610 -3.288 253 HE21 GLN 36 1HE2 GLN 36 20.507 8.768 -3.713 254 HE22 GLN 36 2HE2 GLN 36 21.592 9.729 -2.774 255 HA PRO 37 HA PRO 37 15.045 4.511 -0.668 256 HB2 PRO 37 1HB PRO 37 16.203 2.371 -1.873 257 HB3 PRO 37 2HB PRO 37 14.744 3.152 -2.496 258 HG2 PRO 37 1HG PRO 37 17.588 3.478 -3.371 259 HG3 PRO 37 2HG PRO 37 16.124 3.325 -4.359 260 HD2 PRO 37 1HD PRO 37 17.306 5.711 -3.869 261 HD3 PRO 37 2HD PRO 37 15.552 5.540 -4.082 262 H ASN 38 H ASN 38 18.200 5.577 -1.122 263 HA ASN 38 HA ASN 38 20.165 5.306 -0.001 264 HB2 ASN 38 1HB ASN 38 18.043 4.912 2.059 265 HB3 ASN 38 2HB ASN 38 19.708 4.555 2.509 266 HD21 ASN 38 1HD2 ASN 38 17.420 6.879 2.517 267 HD22 ASN 38 2HD2 ASN 38 18.422 8.286 2.569 268 H GLY 39 H GLY 39 19.472 3.113 -1.592 269 HA2 GLY 39 1HA GLY 39 21.171 1.204 -1.416 270 HA3 GLY 39 2HA GLY 39 20.282 0.798 0.044 271 H ILE 40 H ILE 40 19.549 -1.188 -0.614 272 HA ILE 40 HA ILE 40 17.809 -1.228 -2.989 273 HB ILE 40 HB ILE 40 19.357 -3.441 -1.653 274 HG12 ILE 40 1HG1 ILE 40 20.463 -1.916 -3.347 275 HG13 ILE 40 2HG1 ILE 40 20.501 -3.632 -3.736 276 HG21 ILE 40 1HG2 ILE 40 17.704 -4.828 -2.212 277 HG22 ILE 40 2HG2 ILE 40 16.870 -3.582 -3.140 278 HG23 ILE 40 3HG2 ILE 40 18.155 -4.529 -3.890 279 HD11 ILE 40 1HD1 ILE 40 18.187 -2.750 -4.940 280 HD12 ILE 40 2HD1 ILE 40 19.322 -1.423 -5.186 281 HD13 ILE 40 3HD1 ILE 40 19.734 -3.048 -5.732 282 H ILE 41 H ILE 41 15.721 -1.882 -2.821 283 HA ILE 41 HA ILE 41 14.705 -2.306 -0.099 284 HB ILE 41 HB ILE 41 13.214 -1.511 -2.603 285 HG12 ILE 41 1HG1 ILE 41 13.649 0.196 -0.165 286 HG13 ILE 41 2HG1 ILE 41 14.845 0.145 -1.456 287 HG21 ILE 41 1HG2 ILE 41 12.296 -2.605 -0.132 288 HG22 ILE 41 2HG2 ILE 41 11.746 -0.935 -0.264 289 HG23 ILE 41 3HG2 ILE 41 11.358 -2.094 -1.536 290 HD11 ILE 41 1HD1 ILE 41 12.911 1.945 -1.384 291 HD12 ILE 41 2HD1 ILE 41 13.529 1.292 -2.902 292 HD13 ILE 41 3HD1 ILE 41 12.031 0.663 -2.216 293 H LEU 42 H LEU 42 14.580 -4.404 0.389 294 HA LEU 42 HA LEU 42 14.474 -6.558 -1.324 295 HB2 LEU 42 1HB LEU 42 13.175 -6.409 1.391 296 HB3 LEU 42 2HB LEU 42 13.688 -7.870 0.550 297 HG LEU 42 HG LEU 42 15.644 -5.737 1.358 298 HD11 LEU 42 1HD1 LEU 42 15.176 -8.182 3.006 299 HD12 LEU 42 2HD1 LEU 42 14.195 -6.741 3.269 300 HD13 LEU 42 3HD1 LEU 42 15.947 -6.659 3.448 301 HD21 LEU 42 1HD2 LEU 42 15.887 -7.969 -0.226 302 HD22 LEU 42 2HD2 LEU 42 16.442 -8.540 1.348 303 HD23 LEU 42 3HD2 LEU 42 17.208 -7.139 0.598 304 H GLU 43 H GLU 43 11.679 -5.197 0.433 305 HA GLU 43 HA GLU 43 9.991 -5.679 -1.883 306 HB2 GLU 43 1HB GLU 43 8.298 -6.893 -0.515 307 HB3 GLU 43 2HB GLU 43 9.787 -7.793 -0.758 308 HG2 GLU 43 1HG GLU 43 10.500 -6.873 1.517 309 HG3 GLU 43 2HG GLU 43 8.804 -6.438 1.724 310 H TYR 44 H TYR 44 7.874 -4.672 -1.686 311 HA TYR 44 HA TYR 44 8.006 -2.298 0.028 312 HB2 TYR 44 1HB TYR 44 6.612 -2.923 -2.554 313 HB3 TYR 44 2HB TYR 44 6.035 -1.606 -1.538 314 HD1 TYR 44 1HD TYR 44 8.833 -2.807 -3.600 315 HD2 TYR 44 2HD TYR 44 7.284 0.438 -1.326 316 HE1 TYR 44 1HE TYR 44 10.534 -1.321 -4.574 317 HE2 TYR 44 2HE TYR 44 8.979 1.934 -2.294 318 HH TYR 44 HH TYR 44 10.833 1.112 -4.988 319 H GLU 45 H GLU 45 6.936 -2.411 1.881 320 HA GLU 45 HA GLU 45 4.759 -4.279 2.241 321 HB2 GLU 45 1HB GLU 45 6.634 -3.584 3.939 322 HB3 GLU 45 2HB GLU 45 5.547 -2.248 4.294 323 HG2 GLU 45 1HG GLU 45 3.755 -4.021 4.655 324 HG3 GLU 45 2HG GLU 45 5.080 -5.184 4.670 325 H ILE 46 H ILE 46 2.650 -3.832 2.161 326 HA ILE 46 HA ILE 46 1.850 -1.004 1.944 327 HB ILE 46 HB ILE 46 0.469 -3.418 0.766 328 HG12 ILE 46 1HG1 ILE 46 1.684 -1.203 -0.840 329 HG13 ILE 46 2HG1 ILE 46 2.723 -2.478 -0.215 330 HG21 ILE 46 1HG2 ILE 46 -0.351 -0.646 1.184 331 HG22 ILE 46 2HG2 ILE 46 -0.542 -1.203 -0.478 332 HG23 ILE 46 3HG2 ILE 46 -1.322 -2.077 0.840 333 HD11 ILE 46 1HD1 ILE 46 0.267 -3.262 -1.683 334 HD12 ILE 46 2HD1 ILE 46 1.636 -2.631 -2.599 335 HD13 ILE 46 3HD1 ILE 46 1.836 -4.062 -1.587 336 H LYS 47 H LYS 47 0.522 -0.224 3.443 337 HA LYS 47 HA LYS 47 -0.824 -2.133 5.236 338 HB2 LYS 47 1HB LYS 47 0.678 -0.848 6.525 339 HB3 LYS 47 2HB LYS 47 0.260 0.639 5.684 340 HG2 LYS 47 1HG LYS 47 -2.010 0.493 6.703 341 HG3 LYS 47 2HG LYS 47 -1.433 -0.876 7.657 342 HD2 LYS 47 1HD LYS 47 0.045 0.445 8.882 343 HD3 LYS 47 2HD LYS 47 0.036 1.737 7.679 344 HE2 LYS 47 1HE LYS 47 -2.517 1.849 8.309 345 HE3 LYS 47 2HE LYS 47 -1.956 1.093 9.800 346 HZ1 LYS 47 1HZ LYS 47 -1.993 3.731 9.376 347 HZ2 LYS 47 2HZ LYS 47 -0.405 3.372 8.917 348 HZ3 LYS 47 3HZ LYS 47 -0.949 2.966 10.467 349 H TYR 48 H TYR 48 -2.945 -2.300 4.999 350 HA TYR 48 HA TYR 48 -4.476 0.082 4.208 351 HB2 TYR 48 1HB TYR 48 -5.923 -1.354 2.806 352 HB3 TYR 48 2HB TYR 48 -4.262 -1.309 2.226 353 HD1 TYR 48 1HD TYR 48 -2.801 -3.273 2.493 354 HD2 TYR 48 2HD TYR 48 -6.900 -3.388 3.624 355 HE1 TYR 48 1HE TYR 48 -2.712 -5.730 2.543 356 HE2 TYR 48 2HE TYR 48 -6.822 -5.846 3.679 357 HH TYR 48 HH TYR 48 -3.802 -7.600 3.208 358 H TYR 49 H TYR 49 -6.301 0.436 5.339 359 HA TYR 49 HA TYR 49 -7.561 -1.702 6.842 360 HB2 TYR 49 1HB TYR 49 -7.327 -0.717 8.997 361 HB3 TYR 49 2HB TYR 49 -5.713 -0.770 8.298 362 HD1 TYR 49 1HD TYR 49 -8.568 1.456 9.058 363 HD2 TYR 49 2HD TYR 49 -4.473 1.219 7.928 364 HE1 TYR 49 1HE TYR 49 -8.325 3.871 9.456 365 HE2 TYR 49 2HE TYR 49 -4.218 3.633 8.324 366 HH TYR 49 HH TYR 49 -6.952 5.689 8.959 367 H GLU 50 H GLU 50 -9.580 -0.967 7.899 368 HA GLU 50 HA GLU 50 -11.236 0.404 6.144 369 HB2 GLU 50 1HB GLU 50 -11.449 -0.476 8.976 370 HB3 GLU 50 2HB GLU 50 -12.624 0.703 8.411 371 HG2 GLU 50 1HG GLU 50 -13.611 -0.761 6.964 372 HG3 GLU 50 2HG GLU 50 -12.146 -1.719 6.759 373 H LYS 51 H LYS 51 -10.984 2.449 5.530 374 HA LYS 51 HA LYS 51 -9.622 4.472 6.778 375 HB2 LYS 51 1HB LYS 51 -10.262 4.848 4.547 376 HB3 LYS 51 2HB LYS 51 -11.957 4.521 4.885 377 HG2 LYS 51 1HG LYS 51 -11.831 6.834 4.573 378 HG3 LYS 51 2HG LYS 51 -11.915 6.616 6.323 379 HD2 LYS 51 1HD LYS 51 -9.432 6.795 6.399 380 HD3 LYS 51 2HD LYS 51 -9.449 7.173 4.675 381 HE2 LYS 51 1HE LYS 51 -10.879 8.754 6.810 382 HE3 LYS 51 2HE LYS 51 -9.317 9.182 6.115 383 HZ1 LYS 51 1HZ LYS 51 -11.522 10.190 5.182 384 HZ2 LYS 51 2HZ LYS 51 -11.583 8.745 4.306 385 HZ3 LYS 51 3HZ LYS 51 -10.256 9.781 4.139 386 H ASP 52 H ASP 52 -13.150 3.968 6.924 387 HA ASP 52 HA ASP 52 -13.576 5.987 8.873 388 HB2 ASP 52 1HB ASP 52 -15.367 5.241 7.382 389 HB3 ASP 52 2HB ASP 52 -15.314 3.633 8.100 390 H LYS 53 H LYS 53 -13.209 2.472 9.054 391 HA LYS 53 HA LYS 53 -13.244 2.634 11.984 392 HB2 LYS 53 1HB LYS 53 -13.296 0.179 10.220 393 HB3 LYS 53 2HB LYS 53 -13.526 0.218 11.964 394 HG2 LYS 53 1HG LYS 53 -15.351 1.792 10.208 395 HG3 LYS 53 2HG LYS 53 -15.575 0.049 10.370 396 HD2 LYS 53 1HD LYS 53 -15.918 0.222 12.710 397 HD3 LYS 53 2HD LYS 53 -15.361 1.896 12.738 398 HE2 LYS 53 1HE LYS 53 -17.366 2.207 11.041 399 HE3 LYS 53 2HE LYS 53 -17.968 0.766 11.858 400 HZ1 LYS 53 1HZ LYS 53 -17.774 3.476 12.816 401 HZ2 LYS 53 2HZ LYS 53 -17.201 2.326 13.916 402 HZ3 LYS 53 3HZ LYS 53 -18.783 2.218 13.327 403 H GLU 54 H GLU 54 -11.265 3.161 12.707 404 HA GLU 54 HA GLU 54 -8.952 1.729 11.584 405 HB2 GLU 54 1HB GLU 54 -8.813 4.166 11.392 406 HB3 GLU 54 2HB GLU 54 -9.046 4.327 13.127 407 HG2 GLU 54 1HG GLU 54 -6.746 2.790 11.974 408 HG3 GLU 54 2HG GLU 54 -6.676 4.533 12.230 409 H MET 55 H MET 55 -8.686 -0.072 12.771 410 HA MET 55 HA MET 55 -8.687 0.203 15.704 411 HB2 MET 55 1HB MET 55 -9.066 -2.311 14.068 412 HB3 MET 55 2HB MET 55 -9.164 -2.185 15.819 413 HG2 MET 55 1HG MET 55 -11.049 -1.066 13.771 414 HG3 MET 55 2HG MET 55 -11.377 -2.264 15.021 415 HE1 MET 55 1HE MET 55 -12.386 1.996 15.273 416 HE2 MET 55 2HE MET 55 -11.391 1.340 13.973 417 HE3 MET 55 3HE MET 55 -12.976 0.641 14.309 418 H GLN 56 H GLN 56 -7.258 -1.680 16.685 419 HA GLN 56 HA GLN 56 -4.584 -1.048 16.063 420 HB2 GLN 56 1HB GLN 56 -5.651 -3.391 17.648 421 HB3 GLN 56 2HB GLN 56 -3.992 -2.807 17.668 422 HG2 GLN 56 1HG GLN 56 -4.560 -0.865 18.818 423 HG3 GLN 56 2HG GLN 56 -6.269 -1.015 18.415 424 HE21 GLN 56 1HE2 GLN 56 -4.520 -0.930 20.965 425 HE22 GLN 56 2HE2 GLN 56 -5.200 -2.184 21.940 426 H SER 57 H SER 57 -6.414 -4.066 15.562 427 HA SER 57 HA SER 57 -4.349 -5.370 14.134 428 HB2 SER 57 1HB SER 57 -7.332 -5.895 14.111 429 HB3 SER 57 2HB SER 57 -6.096 -6.994 13.499 430 HG SER 57 HG SER 57 -5.617 -7.562 15.477 431 H TYR 58 H TYR 58 -3.591 -4.823 12.210 432 HA TYR 58 HA TYR 58 -5.478 -3.797 10.192 433 HB2 TYR 58 1HB TYR 58 -3.689 -2.372 9.315 434 HB3 TYR 58 2HB TYR 58 -4.024 -1.991 11.000 435 HD1 TYR 58 2HD TYR 58 -2.503 -3.304 12.734 436 HD2 TYR 58 1HD TYR 58 -1.485 -2.596 8.664 437 HE1 TYR 58 2HE TYR 58 -0.126 -3.614 13.282 438 HE2 TYR 58 1HE TYR 58 0.896 -2.905 9.200 439 HH TYR 58 HH TYR 58 1.978 -3.416 12.529 440 H SER 59 H SER 59 -4.979 -4.295 7.993 441 HA SER 59 HA SER 59 -3.595 -6.858 7.734 442 HB2 SER 59 1HB SER 59 -5.456 -5.404 5.838 443 HB3 SER 59 2HB SER 59 -4.734 -6.983 5.527 444 HG SER 59 HG SER 59 -6.038 -7.884 6.959 445 H THR 60 H THR 60 -1.701 -7.074 6.731 446 HA THR 60 HA THR 60 -0.673 -4.773 5.201 447 HB THR 60 HB THR 60 1.019 -6.799 6.668 448 HG1 THR 60 1HG THR 60 0.702 -4.166 7.588 449 HG21 THR 60 1HG2 THR 60 1.860 -5.312 4.683 450 HG22 THR 60 2HG2 THR 60 2.844 -5.487 6.137 451 HG23 THR 60 3HG2 THR 60 1.866 -4.038 5.902 452 H LEU 61 H LEU 61 0.252 -5.129 3.230 453 HA LEU 61 HA LEU 61 0.328 -7.912 2.271 454 HB2 LEU 61 1HB LEU 61 -1.598 -6.842 1.312 455 HB3 LEU 61 2HB LEU 61 -0.632 -5.454 0.818 456 HG LEU 61 HG LEU 61 0.604 -6.975 -0.740 457 HD11 LEU 61 1HD1 LEU 61 -1.602 -8.899 -0.016 458 HD12 LEU 61 2HD1 LEU 61 0.107 -9.087 0.375 459 HD13 LEU 61 3HD1 LEU 61 -0.420 -9.114 -1.308 460 HD21 LEU 61 1HD2 LEU 61 -2.004 -5.852 -0.967 461 HD22 LEU 61 2HD2 LEU 61 -1.954 -7.355 -1.888 462 HD23 LEU 61 3HD2 LEU 61 -0.783 -6.078 -2.220 463 H LYS 62 H LYS 62 2.204 -8.536 1.419 464 HA LYS 62 HA LYS 62 4.282 -6.519 1.007 465 HB2 LYS 62 1HB LYS 62 4.329 -9.497 1.421 466 HB3 LYS 62 2HB LYS 62 5.739 -8.643 0.809 467 HG2 LYS 62 1HG LYS 62 6.012 -8.883 3.151 468 HG3 LYS 62 2HG LYS 62 5.633 -7.187 2.841 469 HD2 LYS 62 1HD LYS 62 3.344 -7.528 3.518 470 HD3 LYS 62 2HD LYS 62 3.614 -9.264 3.686 471 HE2 LYS 62 1HE LYS 62 5.197 -8.855 5.491 472 HE3 LYS 62 2HE LYS 62 4.984 -7.116 5.302 473 HZ1 LYS 62 1HZ LYS 62 2.666 -7.364 5.923 474 HZ2 LYS 62 2HZ LYS 62 3.670 -7.980 7.136 475 HZ3 LYS 62 3HZ LYS 62 2.860 -9.036 6.092 476 H ALA 63 H ALA 63 5.340 -6.221 -0.914 477 HA ALA 63 HA ALA 63 4.606 -7.893 -3.199 478 HB1 ALA 63 1HB ALA 63 4.318 -5.737 -4.549 479 HB2 ALA 63 2HB ALA 63 2.999 -6.219 -3.481 480 HB3 ALA 63 3HB ALA 63 4.111 -4.941 -2.989 481 H VAL 64 H VAL 64 6.322 -8.361 -4.413 482 HA VAL 64 HA VAL 64 8.880 -7.206 -3.787 483 HB VAL 64 HB VAL 64 9.780 -8.764 -5.457 484 HG11 VAL 64 1HG1 VAL 64 8.219 -10.779 -4.275 485 HG12 VAL 64 2HG1 VAL 64 9.789 -10.176 -3.742 486 HG13 VAL 64 3HG1 VAL 64 8.306 -9.467 -3.101 487 HG21 VAL 64 1HG2 VAL 64 7.978 -10.456 -6.329 488 HG22 VAL 64 2HG2 VAL 64 6.888 -9.086 -6.117 489 HG23 VAL 64 3HG2 VAL 64 8.280 -8.947 -7.191 490 H THR 65 H THR 65 6.493 -6.876 -6.308 491 HA THR 65 HA THR 65 8.300 -5.175 -7.872 492 HB THR 65 HB THR 65 7.116 -6.918 -9.128 493 HG1 THR 65 1HG THR 65 7.296 -4.410 -9.757 494 HG21 THR 65 1HG2 THR 65 4.906 -7.325 -8.988 495 HG22 THR 65 2HG2 THR 65 4.494 -5.610 -8.966 496 HG23 THR 65 3HG2 THR 65 5.000 -6.415 -7.481 497 H THR 66 H THR 66 7.614 -3.094 -8.588 498 HA THR 66 HA THR 66 6.509 -1.475 -6.598 499 HB THR 66 HB THR 66 6.290 0.252 -8.457 500 HG1 THR 66 1HG THR 66 7.837 -1.419 -10.076 501 HG21 THR 66 1HG2 THR 66 8.403 -0.446 -6.993 502 HG22 THR 66 2HG2 THR 66 8.501 0.786 -8.252 503 HG23 THR 66 3HG2 THR 66 9.042 -0.859 -8.584 504 H ARG 67 H ARG 67 4.928 -3.645 -8.538 505 HA ARG 67 HA ARG 67 2.402 -2.135 -8.390 506 HB2 ARG 67 1HB ARG 67 3.263 -4.306 -10.307 507 HB3 ARG 67 2HB ARG 67 1.614 -3.704 -10.193 508 HG2 ARG 67 1HG ARG 67 2.303 -2.365 -11.865 509 HG3 ARG 67 2HG ARG 67 2.904 -1.382 -10.528 510 HD2 ARG 67 1HD ARG 67 5.081 -1.920 -10.931 511 HD3 ARG 67 2HD ARG 67 4.683 -3.517 -11.562 512 HE ARG 67 HE ARG 67 3.866 -1.313 -13.239 513 HH11 ARG 67 2HH1 ARG 67 6.379 -3.596 -12.470 514 HH12 ARG 67 1HH1 ARG 67 7.133 -3.489 -14.027 515 HH21 ARG 67 2HH2 ARG 67 4.849 -1.163 -15.292 516 HH22 ARG 67 1HH2 ARG 67 6.262 -2.103 -15.631 517 H ALA 68 H ALA 68 0.991 -2.835 -6.939 518 HA ALA 68 HA ALA 68 0.913 -5.698 -6.285 519 HB1 ALA 68 1HB ALA 68 2.221 -4.566 -4.546 520 HB2 ALA 68 2HB ALA 68 0.860 -3.487 -4.234 521 HB3 ALA 68 3HB ALA 68 0.707 -5.214 -3.914 522 H THR 69 H THR 69 -1.106 -6.308 -5.128 523 HA THR 69 HA THR 69 -3.357 -4.500 -5.610 524 HB THR 69 HB THR 69 -3.287 -7.353 -6.612 525 HG1 THR 69 1HG THR 69 -3.252 -4.835 -7.941 526 HG21 THR 69 1HG2 THR 69 -5.467 -5.354 -6.270 527 HG22 THR 69 2HG2 THR 69 -5.504 -7.108 -6.087 528 HG23 THR 69 3HG2 THR 69 -5.501 -6.389 -7.697 529 H VAL 70 H VAL 70 -4.232 -4.292 -3.655 530 HA VAL 70 HA VAL 70 -4.084 -6.387 -1.684 531 HB VAL 70 HB VAL 70 -5.574 -3.761 -1.561 532 HG11 VAL 70 1HG1 VAL 70 -4.835 -5.786 0.542 533 HG12 VAL 70 2HG1 VAL 70 -5.344 -4.138 0.915 534 HG13 VAL 70 3HG1 VAL 70 -6.447 -5.237 0.086 535 HG21 VAL 70 1HG2 VAL 70 -3.100 -4.057 -0.026 536 HG22 VAL 70 2HG2 VAL 70 -2.868 -4.074 -1.774 537 HG23 VAL 70 3HG2 VAL 70 -3.674 -2.707 -1.005 538 H SER 71 H SER 71 -5.374 -8.102 -1.928 539 HA SER 71 HA SER 71 -8.158 -7.663 -2.770 540 HB2 SER 71 1HB SER 71 -6.357 -10.078 -2.935 541 HB3 SER 71 2HB SER 71 -8.101 -10.190 -3.168 542 HG SER 71 HG SER 71 -7.857 -9.400 -5.094 543 H GLY 72 H GLY 72 -9.804 -9.059 -1.752 544 HA2 GLY 72 1HA GLY 72 -10.713 -10.225 0.060 545 HA3 GLY 72 2HA GLY 72 -9.157 -10.131 0.871 546 H LEU 73 H LEU 73 -11.052 -7.468 -0.480 547 HA LEU 73 HA LEU 73 -11.235 -6.348 2.238 548 HB2 LEU 73 1HB LEU 73 -11.306 -4.827 -0.359 549 HB3 LEU 73 2HB LEU 73 -11.198 -4.158 1.268 550 HG LEU 73 HG LEU 73 -9.031 -5.900 0.128 551 HD11 LEU 73 1HD1 LEU 73 -9.597 -3.840 -1.298 552 HD12 LEU 73 2HD1 LEU 73 -7.925 -4.071 -0.789 553 HD13 LEU 73 3HD1 LEU 73 -8.949 -2.906 0.050 554 HD21 LEU 73 1HD2 LEU 73 -8.090 -3.881 1.851 555 HD22 LEU 73 2HD2 LEU 73 -8.167 -5.617 2.151 556 HD23 LEU 73 3HD2 LEU 73 -9.516 -4.580 2.618 557 H LYS 74 H LYS 74 -13.090 -4.655 2.350 558 HA LYS 74 HA LYS 74 -15.517 -6.037 1.477 559 HB2 LYS 74 1HB LYS 74 -14.953 -3.984 3.605 560 HB3 LYS 74 2HB LYS 74 -16.596 -4.356 3.099 561 HG2 LYS 74 1HG LYS 74 -16.564 -6.440 4.035 562 HG3 LYS 74 2HG LYS 74 -14.813 -6.603 3.882 563 HD2 LYS 74 1HD LYS 74 -15.235 -6.348 6.191 564 HD3 LYS 74 2HD LYS 74 -14.632 -4.783 5.640 565 HE2 LYS 74 1HE LYS 74 -16.447 -4.174 6.932 566 HE3 LYS 74 2HE LYS 74 -17.147 -4.222 5.315 567 HZ1 LYS 74 1HZ LYS 74 -18.669 -5.531 6.260 568 HZ2 LYS 74 2HZ LYS 74 -17.708 -5.872 7.609 569 HZ3 LYS 74 3HZ LYS 74 -17.499 -6.750 6.178 570 HA PRO 75 HA PRO 75 -16.344 -3.035 -1.646 571 HB2 PRO 75 1HB PRO 75 -19.000 -3.505 -1.949 572 HB3 PRO 75 2HB PRO 75 -17.755 -4.603 -2.557 573 HG2 PRO 75 1HG PRO 75 -19.382 -4.786 -0.050 574 HG3 PRO 75 2HG PRO 75 -18.958 -6.063 -1.205 575 HD2 PRO 75 1HD PRO 75 -17.655 -5.734 1.146 576 HD3 PRO 75 2HD PRO 75 -16.850 -6.343 -0.314 577 H GLY 76 H GLY 76 -17.562 -1.086 -2.021 578 HA2 GLY 76 1HA GLY 76 -18.225 0.994 -1.276 579 HA3 GLY 76 2HA GLY 76 -19.502 0.073 -0.495 580 H THR 77 H THR 77 -16.009 0.252 0.146 581 HA THR 77 HA THR 77 -16.536 1.556 2.702 582 HB THR 77 HB THR 77 -15.107 -1.101 2.500 583 HG1 THR 77 1HG THR 77 -17.650 -0.299 3.302 584 HG21 THR 77 1HG2 THR 77 -13.941 0.266 4.090 585 HG22 THR 77 2HG2 THR 77 -14.935 -0.881 4.987 586 HG23 THR 77 3HG2 THR 77 -15.456 0.795 4.820 587 H ARG 78 H ARG 78 -15.179 3.211 2.797 588 HA ARG 78 HA ARG 78 -12.953 3.548 1.124 589 HB2 ARG 78 1HB ARG 78 -14.086 4.963 3.473 590 HB3 ARG 78 2HB ARG 78 -12.400 5.289 3.095 591 HG2 ARG 78 1HG ARG 78 -13.379 5.614 0.663 592 HG3 ARG 78 2HG ARG 78 -14.853 5.958 1.570 593 HD2 ARG 78 1HD ARG 78 -13.437 7.563 2.947 594 HD3 ARG 78 2HD ARG 78 -12.204 7.373 1.701 595 HE ARG 78 HE ARG 78 -14.823 8.128 0.736 596 HH11 ARG 78 2HH1 ARG 78 -11.701 9.211 1.832 597 HH12 ARG 78 1HH1 ARG 78 -11.817 10.753 1.050 598 HH21 ARG 78 2HH2 ARG 78 -14.987 10.155 -0.297 599 HH22 ARG 78 1HH2 ARG 78 -13.687 11.289 -0.159 600 H TYR 79 H TYR 79 -10.790 3.224 1.389 601 HA TYR 79 HA TYR 79 -9.886 2.019 3.913 602 HB2 TYR 79 1HB TYR 79 -9.581 0.936 1.132 603 HB3 TYR 79 2HB TYR 79 -8.369 0.575 2.356 604 HD1 TYR 79 2HD TYR 79 -9.046 -0.663 4.421 605 HD2 TYR 79 1HD TYR 79 -11.683 -0.166 1.119 606 HE1 TYR 79 2HE TYR 79 -10.444 -2.501 5.268 607 HE2 TYR 79 1HE TYR 79 -13.089 -2.001 1.958 608 HH TYR 79 HH TYR 79 -12.173 -4.223 4.024 609 H VAL 80 H VAL 80 -7.765 2.446 4.497 610 HA VAL 80 HA VAL 80 -6.494 4.625 2.989 611 HB VAL 80 HB VAL 80 -5.987 3.798 5.849 612 HG11 VAL 80 1HG1 VAL 80 -5.317 6.511 4.984 613 HG12 VAL 80 2HG1 VAL 80 -4.387 5.364 5.950 614 HG13 VAL 80 3HG1 VAL 80 -4.375 5.250 4.190 615 HG21 VAL 80 1HG2 VAL 80 -7.420 5.492 6.575 616 HG22 VAL 80 2HG2 VAL 80 -7.467 6.262 4.989 617 HG23 VAL 80 3HG2 VAL 80 -8.306 4.733 5.252 618 H PHE 81 H PHE 81 -5.081 3.778 1.577 619 HA PHE 81 HA PHE 81 -3.461 1.478 2.310 620 HB2 PHE 81 1HB PHE 81 -3.674 3.055 -0.261 621 HB3 PHE 81 2HB PHE 81 -2.631 1.653 -0.044 622 HD1 PHE 81 1HD PHE 81 -3.595 -0.579 0.241 623 HD2 PHE 81 2HD PHE 81 -6.033 2.821 -0.542 624 HE1 PHE 81 1HE PHE 81 -5.457 -2.062 -0.381 625 HE2 PHE 81 2HE PHE 81 -7.899 1.344 -1.164 626 HZ PHE 81 HZ PHE 81 -7.613 -1.101 -1.084 627 H GLN 82 H GLN 82 -1.218 1.472 2.434 628 HA GLN 82 HA GLN 82 0.219 3.989 2.195 629 HB2 GLN 82 1HB GLN 82 -0.248 2.552 4.779 630 HB3 GLN 82 2HB GLN 82 1.267 3.408 4.528 631 HG2 GLN 82 1HG GLN 82 -0.079 5.449 3.995 632 HG3 GLN 82 2HG GLN 82 -1.510 4.556 4.510 633 HE21 GLN 82 1HE2 GLN 82 1.044 6.508 5.479 634 HE22 GLN 82 2HE2 GLN 82 0.865 6.334 7.188 635 H VAL 83 H VAL 83 1.645 3.285 0.710 636 HA VAL 83 HA VAL 83 2.920 0.686 1.008 637 HB VAL 83 HB VAL 83 3.315 2.771 -1.143 638 HG11 VAL 83 1HG1 VAL 83 5.066 0.879 -0.622 639 HG12 VAL 83 2HG1 VAL 83 3.910 -0.125 -1.499 640 HG13 VAL 83 3HG1 VAL 83 4.631 1.281 -2.282 641 HG21 VAL 83 1HG2 VAL 83 1.289 2.170 -1.848 642 HG22 VAL 83 2HG2 VAL 83 1.980 0.591 -2.221 643 HG23 VAL 83 3HG2 VAL 83 1.188 0.862 -0.669 644 H ARG 84 H ARG 84 5.055 0.346 1.458 645 HA ARG 84 HA ARG 84 6.796 2.663 1.859 646 HB2 ARG 84 1HB ARG 84 7.446 2.011 4.065 647 HB3 ARG 84 2HB ARG 84 5.690 2.090 4.037 648 HG2 ARG 84 1HG ARG 84 5.500 -0.276 3.981 649 HG3 ARG 84 2HG ARG 84 7.231 -0.468 3.696 650 HD2 ARG 84 1HD ARG 84 7.554 0.709 5.937 651 HD3 ARG 84 2HD ARG 84 5.833 0.429 6.199 652 HE ARG 84 HE ARG 84 6.270 -1.804 6.535 653 HH11 ARG 84 2HH1 ARG 84 9.092 -0.234 5.234 654 HH12 ARG 84 1HH1 ARG 84 10.134 -1.591 5.509 655 HH21 ARG 84 2HH2 ARG 84 7.631 -3.597 6.902 656 HH22 ARG 84 1HH2 ARG 84 9.302 -3.504 6.457 657 H ALA 85 H ALA 85 9.080 2.042 2.134 658 HA ALA 85 HA ALA 85 9.667 -0.415 0.623 659 HB1 ALA 85 1HB ALA 85 10.762 0.997 -0.709 660 HB2 ALA 85 2HB ALA 85 10.691 2.302 0.475 661 HB3 ALA 85 3HB ALA 85 11.970 1.092 0.572 662 H ARG 86 H ARG 86 10.906 -1.968 1.497 663 HA ARG 86 HA ARG 86 12.027 -1.458 4.169 664 HB2 ARG 86 1HB ARG 86 10.338 -3.168 4.233 665 HB3 ARG 86 2HB ARG 86 11.071 -4.012 2.876 666 HG2 ARG 86 1HG ARG 86 11.615 -5.215 4.845 667 HG3 ARG 86 2HG ARG 86 13.083 -4.396 4.308 668 HD2 ARG 86 1HD ARG 86 12.769 -2.664 5.962 669 HD3 ARG 86 2HD ARG 86 11.223 -3.362 6.443 670 HE ARG 86 HE ARG 86 13.859 -4.284 7.183 671 HH11 ARG 86 2HH1 ARG 86 10.473 -5.055 6.941 672 HH12 ARG 86 1HH1 ARG 86 10.543 -6.320 8.123 673 HH21 ARG 86 2HH2 ARG 86 13.964 -5.947 8.741 674 HH22 ARG 86 1HH2 ARG 86 12.529 -6.826 9.147 675 H THR 87 H THR 87 14.147 -1.786 4.565 676 HA THR 87 HA THR 87 15.784 -2.954 2.413 677 HB THR 87 HB THR 87 17.541 -1.317 2.841 678 HG1 THR 87 1HG THR 87 17.479 -0.202 4.629 679 HG21 THR 87 1HG2 THR 87 15.326 -0.878 1.386 680 HG22 THR 87 2HG2 THR 87 16.645 0.287 1.505 681 HG23 THR 87 3HG2 THR 87 15.209 0.474 2.511 682 H SER 88 H SER 88 17.622 -4.096 3.050 683 HA SER 88 HA SER 88 17.475 -5.651 5.309 684 HB2 SER 88 1HB SER 88 19.757 -6.316 4.879 685 HB3 SER 88 2HB SER 88 18.954 -6.065 3.329 686 HG SER 88 HG SER 88 20.530 -4.092 4.617 687 H ALA 89 H ALA 89 19.053 -2.530 4.910 688 HA ALA 89 HA ALA 89 20.432 -2.468 7.360 689 HB1 ALA 89 1HB ALA 89 21.216 -0.762 6.126 690 HB2 ALA 89 2HB ALA 89 19.681 -0.527 5.288 691 HB3 ALA 89 3HB ALA 89 19.919 0.152 6.898 692 H GLY 90 H GLY 90 17.230 -1.190 6.464 693 HA2 GLY 90 1HA GLY 90 16.109 -1.757 9.005 694 HA3 GLY 90 2HA GLY 90 16.545 -0.057 8.911 695 H CYS 91 H CYS 91 14.525 0.819 8.891 696 HA CYS 91 HA CYS 91 12.973 0.372 6.451 697 HB2 CYS 91 1HB CYS 91 10.866 0.321 7.721 698 HB3 CYS 91 2HB CYS 91 11.912 -1.027 8.152 699 HG CYS 91 HG CYS 91 10.370 0.632 10.239 700 H GLY 92 H GLY 92 11.477 2.115 5.961 701 HA2 GLY 92 1HA GLY 92 12.488 4.673 7.003 702 HA3 GLY 92 2HA GLY 92 11.682 4.446 5.458 703 H ARG 93 H ARG 93 9.679 5.191 5.362 704 HA ARG 93 HA ARG 93 7.940 4.956 7.699 705 HB2 ARG 93 1HB ARG 93 8.530 7.542 6.254 706 HB3 ARG 93 2HB ARG 93 7.162 7.322 7.336 707 HG2 ARG 93 1HG ARG 93 9.862 6.653 8.366 708 HG3 ARG 93 2HG ARG 93 9.448 8.356 8.157 709 HD2 ARG 93 1HD ARG 93 8.759 7.973 10.323 710 HD3 ARG 93 2HD ARG 93 7.269 7.696 9.422 711 HE ARG 93 HE ARG 93 8.285 5.229 9.543 712 HH11 ARG 93 2HH1 ARG 93 7.887 7.672 11.992 713 HH12 ARG 93 1HH1 ARG 93 7.686 6.532 13.281 714 HH21 ARG 93 2HH2 ARG 93 8.022 3.719 11.232 715 HH22 ARG 93 1HH2 ARG 93 7.764 4.284 12.848 716 H PHE 94 H PHE 94 5.714 4.983 7.217 717 HA PHE 94 HA PHE 94 5.021 3.840 4.732 718 HB2 PHE 94 1HB PHE 94 3.550 4.738 7.154 719 HB3 PHE 94 2HB PHE 94 2.615 4.554 5.674 720 HD1 PHE 94 1HD PHE 94 3.113 2.284 4.378 721 HD2 PHE 94 2HD PHE 94 3.713 2.925 8.542 722 HE1 PHE 94 1HE PHE 94 2.968 -0.141 4.769 723 HE2 PHE 94 2HE PHE 94 3.570 0.501 8.940 724 HZ PHE 94 HZ PHE 94 3.199 -1.036 7.052 725 H SER 95 H SER 95 3.999 4.662 2.945 726 HA SER 95 HA SER 95 4.546 7.282 2.174 727 HB2 SER 95 1HB SER 95 3.124 6.853 0.243 728 HB3 SER 95 2HB SER 95 4.082 5.416 0.601 729 HG SER 95 HG SER 95 2.145 4.730 1.835 730 H GLN 96 H GLN 96 2.805 8.850 1.395 731 HA GLN 96 HA GLN 96 1.459 9.919 3.571 732 HB2 GLN 96 1HB GLN 96 0.282 11.343 1.947 733 HB3 GLN 96 2HB GLN 96 2.003 11.237 1.598 734 HG2 GLN 96 1HG GLN 96 1.666 9.886 -0.268 735 HG3 GLN 96 2HG GLN 96 0.032 9.450 0.229 736 HE21 GLN 96 1HE2 GLN 96 2.022 12.138 -0.883 737 HE22 GLN 96 2HE2 GLN 96 0.745 12.996 -1.668 738 H ALA 97 H ALA 97 -0.725 10.005 4.172 739 HA ALA 97 HA ALA 97 -2.126 7.567 4.029 740 HB1 ALA 97 1HB ALA 97 -3.805 9.848 4.680 741 HB2 ALA 97 2HB ALA 97 -3.359 8.453 5.663 742 HB3 ALA 97 3HB ALA 97 -2.282 9.847 5.570 743 H MET 98 H MET 98 -2.874 6.814 2.140 744 HA MET 98 HA MET 98 -4.223 8.658 0.303 745 HB2 MET 98 1HB MET 98 -2.464 7.283 -0.676 746 HB3 MET 98 2HB MET 98 -3.255 5.822 -0.101 747 HG2 MET 98 1HG MET 98 -4.903 5.919 -1.688 748 HG3 MET 98 2HG MET 98 -4.766 7.666 -1.878 749 HE1 MET 98 1HE MET 98 -4.322 6.149 -5.247 750 HE2 MET 98 2HE MET 98 -3.938 4.629 -4.440 751 HE3 MET 98 3HE MET 98 -5.272 5.625 -3.856 752 H GLU 99 H GLU 99 -6.363 8.605 -0.026 753 HA GLU 99 HA GLU 99 -7.897 6.520 1.369 754 HB2 GLU 99 1HB GLU 99 -8.787 9.263 0.457 755 HB3 GLU 99 2HB GLU 99 -9.769 8.107 1.347 756 HG2 GLU 99 1HG GLU 99 -8.676 8.477 3.316 757 HG3 GLU 99 2HG GLU 99 -7.176 8.954 2.523 758 H VAL 100 H VAL 100 -8.935 5.051 0.204 759 HA VAL 100 HA VAL 100 -9.834 5.735 -2.504 760 HB VAL 100 HB VAL 100 -8.287 3.238 -1.796 761 HG11 VAL 100 1HG1 VAL 100 -10.325 3.358 -3.578 762 HG12 VAL 100 2HG1 VAL 100 -8.955 3.789 -4.604 763 HG13 VAL 100 3HG1 VAL 100 -8.948 2.266 -3.713 764 HG21 VAL 100 1HG2 VAL 100 -7.300 5.701 -2.441 765 HG22 VAL 100 2HG2 VAL 100 -6.465 4.171 -2.712 766 HG23 VAL 100 3HG2 VAL 100 -7.386 4.915 -4.018 767 H GLU 101 H GLU 101 -11.839 5.048 -2.945 768 HA GLU 101 HA GLU 101 -13.122 3.260 -0.996 769 HB2 GLU 101 1HB GLU 101 -13.964 5.678 -1.555 770 HB3 GLU 101 2HB GLU 101 -14.650 4.906 -2.978 771 HG2 GLU 101 1HG GLU 101 -15.623 3.227 -1.224 772 HG3 GLU 101 2HG GLU 101 -15.360 4.567 -0.109 773 H THR 102 H THR 102 -13.430 1.238 -1.618 774 HA THR 102 HA THR 102 -13.040 0.347 -4.278 775 HB THR 102 HB THR 102 -13.888 -1.847 -3.443 776 HG1 THR 102 1HG THR 102 -14.659 -0.212 -1.328 777 HG21 THR 102 1HG2 THR 102 -11.602 -0.356 -2.475 778 HG22 THR 102 2HG2 THR 102 -11.717 -2.049 -2.956 779 HG23 THR 102 3HG2 THR 102 -12.122 -1.571 -1.308 780 H GLY 103 H GLY 103 -14.578 -0.714 -5.664 781 HA2 GLY 103 1HA GLY 103 -16.815 0.748 -6.302 782 HA3 GLY 103 2HA GLY 103 -16.602 -0.942 -6.735 783 H LYS 104 H LYS 104 -18.737 1.063 -5.416 784 HA LYS 104 HA LYS 104 -19.544 -0.220 -3.033 785 HB2 LYS 104 1HB LYS 104 -20.948 1.594 -4.981 786 HB3 LYS 104 2HB LYS 104 -21.787 0.920 -3.590 787 HG2 LYS 104 1HG LYS 104 -19.898 1.915 -2.190 788 HG3 LYS 104 2HG LYS 104 -19.483 2.837 -3.637 789 HD2 LYS 104 1HD LYS 104 -21.812 3.702 -3.685 790 HD3 LYS 104 2HD LYS 104 -22.113 2.872 -2.157 791 HE2 LYS 104 1HE LYS 104 -19.975 4.200 -1.395 792 HE3 LYS 104 2HE LYS 104 -20.424 5.261 -2.729 793 HZ1 LYS 104 1HZ LYS 104 -22.172 4.514 -0.447 794 HZ2 LYS 104 2HZ LYS 104 -22.612 5.524 -1.731 795 HZ3 LYS 104 3HZ LYS 104 -21.399 6.005 -0.654 796 HA PRO 105 HA PRO 105 -21.589 -3.842 -4.449 797 HB2 PRO 105 1HB PRO 105 -23.479 -4.122 -2.520 798 HB3 PRO 105 2HB PRO 105 -21.764 -4.446 -2.239 799 HG2 PRO 105 1HG PRO 105 -23.367 -2.010 -1.564 800 HG3 PRO 105 2HG PRO 105 -22.152 -2.856 -0.587 801 HD2 PRO 105 1HD PRO 105 -21.598 -0.587 -1.958 802 HD3 PRO 105 2HD PRO 105 -20.390 -1.860 -1.691 803 H SER 106 H SER 106 -22.931 -0.834 -4.659 804 HA SER 106 HA SER 106 -25.558 -1.777 -5.550 805 HB2 SER 106 1HB SER 106 -26.295 0.490 -5.415 806 HB3 SER 106 2HB SER 106 -25.332 0.194 -3.968 807 HG SER 106 HG SER 106 -24.613 2.102 -4.785 808 H GLY 107 H GLY 107 -26.438 -0.643 -7.542 809 HA2 GLY 107 1HA GLY 107 -24.346 -0.128 -9.540 810 HA3 GLY 107 2HA GLY 107 -25.531 -1.385 -9.859 811 HA PRO 108 HA PRO 108 -26.997 2.989 -11.105 812 HB2 PRO 108 1HB PRO 108 -26.501 2.865 -13.771 813 HB3 PRO 108 2HB PRO 108 -25.335 3.504 -12.606 814 HG2 PRO 108 1HG PRO 108 -25.457 0.794 -13.870 815 HG3 PRO 108 2HG PRO 108 -24.050 1.836 -13.591 816 HD2 PRO 108 1HD PRO 108 -24.655 -0.257 -11.983 817 HD3 PRO 108 2HD PRO 108 -23.873 1.217 -11.378 818 H SER 109 H SER 109 -29.145 2.822 -11.132 819 HA SER 109 HA SER 109 -30.475 1.459 -13.296 820 HB2 SER 109 1HB SER 109 -31.774 -0.069 -11.971 821 HB3 SER 109 2HB SER 109 -30.077 -0.338 -11.574 822 HG SER 109 HG SER 109 -31.122 -0.215 -9.648 823 H SER 110 H SER 110 -32.668 2.054 -13.517 824 HA SER 110 HA SER 110 -33.356 4.633 -13.063 825 HB2 SER 110 1HB SER 110 -35.270 2.286 -13.084 826 HB3 SER 110 2HB SER 110 -35.717 3.970 -13.355 827 HG SER 110 HG SER 110 -34.968 2.264 -15.162 828 H GLY 111 H GLY 111 -34.048 1.906 -10.897 829 HA2 GLY 111 1HA GLY 111 -33.832 2.283 -8.498 830 HA3 GLY 111 2HA GLY 111 -34.526 3.877 -8.751 Start of MODEL 16 1 H1 GLY 1 H GLY 1 22.111 15.573 23.451 2 HA2 GLY 1 1HA GLY 1 22.108 13.325 23.915 3 HA3 GLY 1 2HA GLY 1 20.380 13.485 24.192 4 H SER 2 H SER 2 22.685 12.003 22.330 5 HA SER 2 HA SER 2 20.795 11.570 20.111 6 HB2 SER 2 1HB SER 2 22.671 11.100 18.680 7 HB3 SER 2 2HB SER 2 23.006 12.615 19.518 8 HG SER 2 HG SER 2 24.132 10.068 19.928 9 H SER 3 H SER 3 19.811 9.673 20.146 10 HA SER 3 HA SER 3 20.484 7.580 21.904 11 HB2 SER 3 1HB SER 3 18.596 7.867 19.598 12 HB3 SER 3 2HB SER 3 18.895 6.263 20.268 13 HG SER 3 HG SER 3 17.525 6.797 21.756 14 H GLY 4 H GLY 4 20.681 7.655 18.337 15 HA2 GLY 4 1HA GLY 4 22.946 6.974 17.463 16 HA3 GLY 4 2HA GLY 4 22.782 5.587 18.530 17 H SER 5 H SER 5 23.259 5.229 15.852 18 HA SER 5 HA SER 5 20.733 4.006 14.986 19 HB2 SER 5 1HB SER 5 22.614 5.636 13.267 20 HB3 SER 5 2HB SER 5 21.334 4.610 12.620 21 HG SER 5 HG SER 5 19.818 5.906 13.587 22 H SER 6 H SER 6 20.990 2.193 13.546 23 HA SER 6 HA SER 6 23.649 0.937 13.744 24 HB2 SER 6 1HB SER 6 20.907 -0.276 14.073 25 HB3 SER 6 2HB SER 6 22.331 -1.259 13.733 26 HG SER 6 HG SER 6 21.634 0.138 16.038 27 H GLY 7 H GLY 7 24.128 -0.657 12.057 28 HA2 GLY 7 1HA GLY 7 24.490 -0.999 9.802 29 HA3 GLY 7 2HA GLY 7 22.750 -1.239 9.790 30 H GLN 8 H GLN 8 22.841 -0.427 7.597 31 HA GLN 8 HA GLN 8 23.706 2.186 6.972 32 HB2 GLN 8 1HB GLN 8 21.769 0.318 5.609 33 HB3 GLN 8 2HB GLN 8 22.214 1.883 4.941 34 HG2 GLN 8 1HG GLN 8 23.546 0.221 3.886 35 HG3 GLN 8 2HG GLN 8 24.587 1.150 4.964 36 HE21 GLN 8 1HE2 GLN 8 22.449 -1.679 5.195 37 HE22 GLN 8 2HE2 GLN 8 23.573 -2.669 6.056 38 H ALA 9 H ALA 9 22.048 3.792 5.963 39 HA ALA 9 HA ALA 9 20.285 4.576 8.108 40 HB1 ALA 9 1HB ALA 9 21.617 5.873 5.930 41 HB2 ALA 9 2HB ALA 9 19.902 6.283 5.909 42 HB3 ALA 9 3HB ALA 9 20.863 6.582 7.358 43 H ALA 10 H ALA 10 18.038 5.030 7.867 44 HA ALA 10 HA ALA 10 16.582 2.998 6.569 45 HB1 ALA 10 1HB ALA 10 14.645 4.009 7.431 46 HB2 ALA 10 2HB ALA 10 15.908 4.356 8.614 47 HB3 ALA 10 3HB ALA 10 15.397 5.604 7.478 48 HA PRO 11 HA PRO 11 15.974 4.521 2.494 49 HB2 PRO 11 1HB PRO 11 13.514 3.513 1.942 50 HB3 PRO 11 2HB PRO 11 14.966 2.508 2.031 51 HG2 PRO 11 1HG PRO 11 12.839 2.950 4.090 52 HG3 PRO 11 2HG PRO 11 13.637 1.440 3.612 53 HD2 PRO 11 1HD PRO 11 14.333 2.813 5.840 54 HD3 PRO 11 2HD PRO 11 15.504 1.874 4.892 55 H SER 12 H SER 12 14.174 5.601 1.113 56 HA SER 12 HA SER 12 13.190 7.874 2.663 57 HB2 SER 12 1HB SER 12 14.572 8.140 0.535 58 HB3 SER 12 2HB SER 12 13.146 7.587 -0.343 59 HG SER 12 HG SER 12 13.623 10.014 0.277 60 H GLN 13 H GLN 13 11.078 8.834 1.521 61 HA GLN 13 HA GLN 13 9.095 6.664 1.619 62 HB2 GLN 13 1HB GLN 13 8.887 8.344 3.400 63 HB3 GLN 13 2HB GLN 13 8.742 9.612 2.190 64 HG2 GLN 13 1HG GLN 13 6.677 8.555 1.368 65 HG3 GLN 13 2HG GLN 13 6.812 7.348 2.646 66 HE21 GLN 13 1HE2 GLN 13 5.923 10.564 1.835 67 HE22 GLN 13 2HE2 GLN 13 5.312 11.022 3.385 68 H VAL 14 H VAL 14 7.850 6.261 -0.099 69 HA VAL 14 HA VAL 14 8.299 7.758 -2.531 70 HB VAL 14 HB VAL 14 6.823 6.074 -3.583 71 HG11 VAL 14 1HG1 VAL 14 9.370 5.788 -2.912 72 HG12 VAL 14 2HG1 VAL 14 8.708 4.471 -1.941 73 HG13 VAL 14 3HG1 VAL 14 8.461 4.491 -3.688 74 HG21 VAL 14 1HG2 VAL 14 5.303 5.076 -2.298 75 HG22 VAL 14 2HG2 VAL 14 6.613 4.089 -1.651 76 HG23 VAL 14 3HG2 VAL 14 6.129 5.568 -0.820 77 H VAL 15 H VAL 15 7.234 9.607 -2.817 78 HA VAL 15 HA VAL 15 4.552 9.944 -1.723 79 HB VAL 15 HB VAL 15 4.880 12.308 -2.747 80 HG11 VAL 15 1HG1 VAL 15 6.214 12.996 -0.754 81 HG12 VAL 15 2HG1 VAL 15 4.843 11.949 -0.378 82 HG13 VAL 15 3HG1 VAL 15 6.479 11.288 -0.404 83 HG21 VAL 15 1HG2 VAL 15 7.788 11.725 -2.457 84 HG22 VAL 15 2HG2 VAL 15 6.987 11.331 -3.977 85 HG23 VAL 15 3HG2 VAL 15 6.979 12.991 -3.380 86 H VAL 16 H VAL 16 5.362 8.301 -4.189 87 HA VAL 16 HA VAL 16 3.451 9.548 -6.058 88 HB VAL 16 HB VAL 16 5.550 9.557 -7.154 89 HG11 VAL 16 1HG1 VAL 16 6.355 7.659 -5.471 90 HG12 VAL 16 2HG1 VAL 16 6.047 6.648 -6.884 91 HG13 VAL 16 3HG1 VAL 16 7.188 7.990 -6.990 92 HG21 VAL 16 1HG2 VAL 16 4.637 8.802 -9.032 93 HG22 VAL 16 2HG2 VAL 16 4.894 7.133 -8.523 94 HG23 VAL 16 3HG2 VAL 16 3.409 7.973 -8.077 95 H ILE 17 H ILE 17 1.569 8.521 -5.780 96 HA ILE 17 HA ILE 17 1.531 5.617 -6.121 97 HB ILE 17 HB ILE 17 0.464 7.090 -3.746 98 HG12 ILE 17 1HG1 ILE 17 1.634 4.316 -3.966 99 HG13 ILE 17 2HG1 ILE 17 2.629 5.756 -3.772 100 HG21 ILE 17 1HG2 ILE 17 -0.761 4.707 -3.468 101 HG22 ILE 17 2HG2 ILE 17 -1.547 6.143 -4.123 102 HG23 ILE 17 3HG2 ILE 17 -0.888 4.924 -5.214 103 HD11 ILE 17 1HD1 ILE 17 2.351 4.784 -1.633 104 HD12 ILE 17 2HD1 ILE 17 1.349 6.235 -1.675 105 HD13 ILE 17 3HD1 ILE 17 0.607 4.645 -1.850 106 H ARG 18 H ARG 18 -0.073 4.944 -7.415 107 HA ARG 18 HA ARG 18 -2.322 6.771 -7.923 108 HB2 ARG 18 1HB ARG 18 -0.984 5.139 -10.079 109 HB3 ARG 18 2HB ARG 18 -2.205 6.389 -10.276 110 HG2 ARG 18 1HG ARG 18 -0.613 8.079 -9.542 111 HG3 ARG 18 2HG ARG 18 0.611 6.830 -9.306 112 HD2 ARG 18 1HD ARG 18 0.883 8.038 -11.438 113 HD3 ARG 18 2HD ARG 18 0.593 6.313 -11.666 114 HE ARG 18 HE ARG 18 -1.770 7.968 -11.791 115 HH11 ARG 18 2HH1 ARG 18 0.842 6.502 -13.564 116 HH12 ARG 18 1HH1 ARG 18 0.008 6.543 -15.082 117 HH21 ARG 18 2HH2 ARG 18 -2.879 8.028 -13.784 118 HH22 ARG 18 1HH2 ARG 18 -2.108 7.412 -15.206 119 H GLN 19 H GLN 19 -4.214 5.694 -8.884 120 HA GLN 19 HA GLN 19 -4.459 2.948 -7.861 121 HB2 GLN 19 1HB GLN 19 -5.976 4.467 -6.767 122 HB3 GLN 19 2HB GLN 19 -6.543 5.087 -8.312 123 HG2 GLN 19 1HG GLN 19 -7.155 2.523 -8.661 124 HG3 GLN 19 2HG GLN 19 -7.229 2.582 -6.901 125 HE21 GLN 19 1HE2 GLN 19 -8.620 4.222 -5.948 126 HE22 GLN 19 2HE2 GLN 19 -10.060 4.687 -6.781 127 H GLU 20 H GLU 20 -4.059 1.578 -9.493 128 HA GLU 20 HA GLU 20 -4.529 2.093 -12.216 129 HB2 GLU 20 1HB GLU 20 -3.874 -0.313 -10.592 130 HB3 GLU 20 2HB GLU 20 -4.495 -0.577 -12.215 131 HG2 GLU 20 1HG GLU 20 -2.169 1.234 -11.650 132 HG3 GLU 20 2HG GLU 20 -1.984 -0.493 -11.955 133 H ARG 21 H ARG 21 -6.342 0.018 -9.951 134 HA ARG 21 HA ARG 21 -8.829 0.724 -11.245 135 HB2 ARG 21 1HB ARG 21 -8.031 -2.186 -11.158 136 HB3 ARG 21 2HB ARG 21 -9.475 -1.493 -11.883 137 HG2 ARG 21 1HG ARG 21 -8.010 -0.308 -13.510 138 HG3 ARG 21 2HG ARG 21 -6.639 -1.193 -12.838 139 HD2 ARG 21 1HD ARG 21 -7.456 -2.295 -14.839 140 HD3 ARG 21 2HD ARG 21 -7.733 -3.309 -13.424 141 HE ARG 21 HE ARG 21 -9.741 -2.023 -15.074 142 HH11 ARG 21 2HH1 ARG 21 -9.007 -3.693 -12.110 143 HH12 ARG 21 1HH1 ARG 21 -10.645 -4.178 -11.824 144 HH21 ARG 21 2HH2 ARG 21 -11.902 -2.655 -14.710 145 HH22 ARG 21 1HH2 ARG 21 -12.291 -3.588 -13.305 146 H ALA 22 H ALA 22 -10.464 0.726 -9.820 147 HA ALA 22 HA ALA 22 -9.923 -0.339 -7.142 148 HB1 ALA 22 1HB ALA 22 -12.214 1.116 -6.889 149 HB2 ALA 22 2HB ALA 22 -10.585 1.738 -6.625 150 HB3 ALA 22 3HB ALA 22 -11.379 1.978 -8.182 151 H GLY 23 H GLY 23 -10.573 -2.419 -7.046 152 HA2 GLY 23 1HA GLY 23 -12.934 -3.340 -8.423 153 HA3 GLY 23 2HA GLY 23 -11.896 -4.294 -7.374 154 H GLN 24 H GLN 24 -14.477 -4.792 -7.119 155 HA GLN 24 HA GLN 24 -15.863 -3.124 -5.285 156 HB2 GLN 24 1HB GLN 24 -16.814 -4.910 -6.881 157 HB3 GLN 24 2HB GLN 24 -16.380 -6.066 -5.630 158 HG2 GLN 24 1HG GLN 24 -17.733 -4.369 -4.114 159 HG3 GLN 24 2HG GLN 24 -18.503 -4.000 -5.657 160 HE21 GLN 24 1HE2 GLN 24 -20.443 -4.838 -4.723 161 HE22 GLN 24 2HE2 GLN 24 -20.716 -6.543 -4.668 162 H THR 25 H THR 25 -14.024 -6.137 -4.907 163 HA THR 25 HA THR 25 -13.944 -5.622 -2.005 164 HB THR 25 HB THR 25 -13.550 -8.081 -1.741 165 HG1 THR 25 1HG THR 25 -12.988 -8.920 -3.640 166 HG21 THR 25 1HG2 THR 25 -15.722 -7.529 -1.199 167 HG22 THR 25 2HG2 THR 25 -15.988 -8.674 -2.514 168 HG23 THR 25 3HG2 THR 25 -16.089 -6.941 -2.820 169 H SER 26 H SER 26 -12.138 -4.973 -4.453 170 HA SER 26 HA SER 26 -9.657 -5.424 -3.028 171 HB2 SER 26 1HB SER 26 -9.975 -6.442 -5.861 172 HB3 SER 26 2HB SER 26 -8.508 -6.503 -4.883 173 HG SER 26 HG SER 26 -10.073 -8.423 -5.029 174 H VAL 27 H VAL 27 -7.942 -4.084 -3.746 175 HA VAL 27 HA VAL 27 -8.657 -2.049 -5.740 176 HB VAL 27 HB VAL 27 -7.526 -1.477 -2.998 177 HG11 VAL 27 1HG1 VAL 27 -7.270 0.775 -3.612 178 HG12 VAL 27 2HG1 VAL 27 -6.579 -0.141 -4.953 179 HG13 VAL 27 3HG1 VAL 27 -8.190 0.562 -5.101 180 HG21 VAL 27 1HG2 VAL 27 -9.709 0.111 -3.303 181 HG22 VAL 27 2HG2 VAL 27 -10.209 -1.334 -4.182 182 HG23 VAL 27 3HG2 VAL 27 -9.718 -1.456 -2.493 183 H SER 28 H SER 28 -7.006 -1.359 -7.014 184 HA SER 28 HA SER 28 -4.411 -2.676 -6.602 185 HB2 SER 28 1HB SER 28 -5.489 -3.242 -8.714 186 HB3 SER 28 2HB SER 28 -5.647 -1.533 -9.119 187 HG SER 28 HG SER 28 -3.155 -1.743 -8.675 188 H LEU 29 H LEU 29 -2.546 -1.528 -6.472 189 HA LEU 29 HA LEU 29 -2.796 1.408 -6.518 190 HB2 LEU 29 1HB LEU 29 -0.902 -0.285 -4.895 191 HB3 LEU 29 2HB LEU 29 -0.993 1.475 -4.874 192 HG LEU 29 HG LEU 29 -3.220 -0.356 -3.986 193 HD11 LEU 29 1HD1 LEU 29 -1.029 1.006 -2.447 194 HD12 LEU 29 2HD1 LEU 29 -1.484 -0.697 -2.435 195 HD13 LEU 29 3HD1 LEU 29 -2.545 0.503 -1.699 196 HD21 LEU 29 1HD2 LEU 29 -4.148 1.709 -4.624 197 HD22 LEU 29 2HD2 LEU 29 -2.808 2.621 -3.927 198 HD23 LEU 29 3HD2 LEU 29 -3.962 1.803 -2.872 199 H LEU 30 H LEU 30 -0.499 2.436 -6.758 200 HA LEU 30 HA LEU 30 1.316 0.990 -8.464 201 HB2 LEU 30 1HB LEU 30 -0.732 2.026 -9.804 202 HB3 LEU 30 2HB LEU 30 0.269 3.473 -9.709 203 HG LEU 30 HG LEU 30 2.113 2.176 -10.789 204 HD11 LEU 30 1HD1 LEU 30 1.255 -0.062 -10.155 205 HD12 LEU 30 2HD1 LEU 30 1.627 0.089 -11.872 206 HD13 LEU 30 3HD1 LEU 30 -0.049 0.146 -11.325 207 HD21 LEU 30 1HD2 LEU 30 0.937 2.099 -13.053 208 HD22 LEU 30 2HD2 LEU 30 0.946 3.641 -12.197 209 HD23 LEU 30 3HD2 LEU 30 -0.504 2.635 -12.189 210 H TRP 31 H TRP 31 3.158 1.526 -7.490 211 HA TRP 31 HA TRP 31 3.705 4.384 -7.048 212 HB2 TRP 31 1HB TRP 31 4.824 3.900 -4.971 213 HB3 TRP 31 2HB TRP 31 3.212 3.194 -4.903 214 HD1 TRP 31 HD TRP 31 6.886 2.267 -4.848 215 HE1 TRP 31 1HE TRP 31 7.116 -0.245 -4.337 216 HE3 TRP 31 3HE TRP 31 1.975 0.905 -5.250 217 HZ2 TRP 31 2HZ TRP 31 5.438 -2.505 -4.133 218 HZ3 TRP 31 3HZ TRP 31 1.371 -1.452 -4.883 219 HH2 TRP 31 HH TRP 31 3.068 -3.120 -4.336 220 H GLN 32 H GLN 32 6.107 4.791 -6.779 221 HA GLN 32 HA GLN 32 7.699 2.934 -8.408 222 HB2 GLN 32 1HB GLN 32 8.638 4.723 -9.690 223 HB3 GLN 32 2HB GLN 32 6.888 4.874 -9.770 224 HG2 GLN 32 1HG GLN 32 6.871 6.839 -8.679 225 HG3 GLN 32 2HG GLN 32 8.193 6.379 -7.608 226 HE21 GLN 32 1HE2 GLN 32 10.188 5.792 -9.343 227 HE22 GLN 32 2HE2 GLN 32 10.637 7.200 -10.238 228 H GLU 33 H GLU 33 10.037 3.220 -8.158 229 HA GLU 33 HA GLU 33 10.871 3.183 -5.528 230 HB2 GLU 33 1HB GLU 33 12.244 3.476 -8.147 231 HB3 GLU 33 2HB GLU 33 13.172 3.879 -6.709 232 HG2 GLU 33 1HG GLU 33 13.691 1.697 -6.779 233 HG3 GLU 33 2HG GLU 33 12.155 1.527 -5.931 234 HA PRO 34 HA PRO 34 10.996 7.378 -4.208 235 HB2 PRO 34 1HB PRO 34 12.845 7.159 -2.233 236 HB3 PRO 34 2HB PRO 34 11.195 6.545 -2.076 237 HG2 PRO 34 1HG PRO 34 13.710 5.067 -2.748 238 HG3 PRO 34 2HG PRO 34 12.394 4.597 -1.657 239 HD2 PRO 34 1HD PRO 34 12.623 3.617 -4.171 240 HD3 PRO 34 2HD PRO 34 11.052 3.872 -3.385 241 H GLU 35 H GLU 35 12.647 9.131 -3.696 242 HA GLU 35 HA GLU 35 14.363 9.455 -5.925 243 HB2 GLU 35 1HB GLU 35 14.395 11.051 -3.361 244 HB3 GLU 35 2HB GLU 35 14.986 11.563 -4.936 245 HG2 GLU 35 1HG GLU 35 12.619 11.323 -5.768 246 HG3 GLU 35 2HG GLU 35 12.140 11.135 -4.082 247 H GLN 36 H GLN 36 14.927 8.610 -2.545 248 HA GLN 36 HA GLN 36 17.585 7.642 -3.288 249 HB2 GLN 36 1HB GLN 36 17.060 9.450 -0.922 250 HB3 GLN 36 2HB GLN 36 18.588 8.653 -1.276 251 HG2 GLN 36 1HG GLN 36 18.525 9.896 -3.500 252 HG3 GLN 36 2HG GLN 36 17.247 10.872 -2.777 253 HE21 GLN 36 1HE2 GLN 36 19.639 11.958 -3.646 254 HE22 GLN 36 2HE2 GLN 36 20.528 12.530 -2.280 255 HA PRO 37 HA PRO 37 15.570 4.363 -0.915 256 HB2 PRO 37 1HB PRO 37 17.198 2.400 -1.846 257 HB3 PRO 37 2HB PRO 37 15.814 3.013 -2.758 258 HG2 PRO 37 1HG PRO 37 18.717 3.692 -3.034 259 HG3 PRO 37 2HG PRO 37 17.514 3.385 -4.301 260 HD2 PRO 37 1HD PRO 37 18.276 5.885 -3.590 261 HD3 PRO 37 2HD PRO 37 16.636 5.511 -4.157 262 H ASN 38 H ASN 38 18.839 5.490 -0.967 263 HA ASN 38 HA ASN 38 20.559 5.384 0.520 264 HB2 ASN 38 1HB ASN 38 18.108 5.248 2.217 265 HB3 ASN 38 2HB ASN 38 19.665 4.956 2.986 266 HD21 ASN 38 1HD2 ASN 38 17.940 7.111 3.555 267 HD22 ASN 38 2HD2 ASN 38 18.754 8.573 3.122 268 H GLY 39 H GLY 39 20.165 3.031 -0.890 269 HA2 GLY 39 1HA GLY 39 21.756 1.161 -0.137 270 HA3 GLY 39 2HA GLY 39 20.553 0.912 1.120 271 H ILE 40 H ILE 40 20.430 -1.270 0.249 272 HA ILE 40 HA ILE 40 19.073 -1.502 -2.333 273 HB ILE 40 HB ILE 40 20.161 -3.662 -0.524 274 HG12 ILE 40 1HG1 ILE 40 21.734 -3.843 -2.632 275 HG13 ILE 40 2HG1 ILE 40 21.276 -2.158 -2.860 276 HG21 ILE 40 1HG2 ILE 40 18.548 -4.780 -1.713 277 HG22 ILE 40 2HG2 ILE 40 18.688 -3.717 -3.112 278 HG23 ILE 40 3HG2 ILE 40 19.925 -4.936 -2.804 279 HD11 ILE 40 1HD1 ILE 40 22.424 -3.214 -0.294 280 HD12 ILE 40 2HD1 ILE 40 23.405 -2.550 -1.601 281 HD13 ILE 40 3HD1 ILE 40 22.219 -1.532 -0.785 282 H ILE 41 H ILE 41 16.953 -1.812 -2.485 283 HA ILE 41 HA ILE 41 15.429 -2.311 -0.037 284 HB ILE 41 HB ILE 41 14.453 -1.463 -2.767 285 HG12 ILE 41 1HG1 ILE 41 14.744 0.170 -0.238 286 HG13 ILE 41 2HG1 ILE 41 15.880 0.212 -1.582 287 HG21 ILE 41 1HG2 ILE 41 12.953 -2.738 -0.991 288 HG22 ILE 41 2HG2 ILE 41 12.837 -1.119 -0.303 289 HG23 ILE 41 3HG2 ILE 41 12.322 -1.409 -1.965 290 HD11 ILE 41 1HD1 ILE 41 14.149 1.065 -3.045 291 HD12 ILE 41 2HD1 ILE 41 12.972 0.966 -1.735 292 HD13 ILE 41 3HD1 ILE 41 14.324 2.092 -1.623 293 H LEU 42 H LEU 42 14.750 -4.291 0.405 294 HA LEU 42 HA LEU 42 14.958 -6.434 -1.458 295 HB2 LEU 42 1HB LEU 42 13.432 -6.468 1.133 296 HB3 LEU 42 2HB LEU 42 14.159 -7.832 0.286 297 HG LEU 42 HG LEU 42 15.903 -5.638 1.324 298 HD11 LEU 42 1HD1 LEU 42 15.927 -6.414 3.488 299 HD12 LEU 42 2HD1 LEU 42 15.257 -7.985 3.049 300 HD13 LEU 42 3HD1 LEU 42 14.217 -6.561 3.085 301 HD21 LEU 42 1HD2 LEU 42 16.378 -7.933 -0.088 302 HD22 LEU 42 2HD2 LEU 42 16.689 -8.442 1.572 303 HD23 LEU 42 3HD2 LEU 42 17.566 -7.071 0.890 304 H GLU 43 H GLU 43 12.078 -5.269 0.301 305 HA GLU 43 HA GLU 43 10.514 -5.503 -2.154 306 HB2 GLU 43 1HB GLU 43 8.787 -6.840 -1.107 307 HB3 GLU 43 2HB GLU 43 10.325 -7.686 -1.011 308 HG2 GLU 43 1HG GLU 43 9.156 -7.930 1.065 309 HG3 GLU 43 2HG GLU 43 10.573 -6.911 1.315 310 H TYR 44 H TYR 44 8.142 -4.796 -1.617 311 HA TYR 44 HA TYR 44 8.296 -2.441 0.150 312 HB2 TYR 44 1HB TYR 44 7.066 -2.775 -2.571 313 HB3 TYR 44 2HB TYR 44 6.496 -1.523 -1.473 314 HD1 TYR 44 2HD TYR 44 7.914 0.373 -0.902 315 HD2 TYR 44 1HD TYR 44 9.263 -2.638 -3.589 316 HE1 TYR 44 2HE TYR 44 9.735 1.853 -1.637 317 HE2 TYR 44 1HE TYR 44 11.089 -1.166 -4.331 318 HH TYR 44 HH TYR 44 11.241 1.797 -4.177 319 H GLU 45 H GLU 45 6.965 -2.520 1.824 320 HA GLU 45 HA GLU 45 4.812 -4.464 1.881 321 HB2 GLU 45 1HB GLU 45 6.501 -3.830 3.793 322 HB3 GLU 45 2HB GLU 45 5.350 -2.540 4.108 323 HG2 GLU 45 1HG GLU 45 5.103 -4.709 5.422 324 HG3 GLU 45 2HG GLU 45 3.655 -4.020 4.689 325 H ILE 46 H ILE 46 2.643 -4.007 2.080 326 HA ILE 46 HA ILE 46 1.872 -1.193 1.657 327 HB ILE 46 HB ILE 46 0.507 -3.643 0.534 328 HG12 ILE 46 1HG1 ILE 46 1.674 -1.487 -1.165 329 HG13 ILE 46 2HG1 ILE 46 2.779 -2.643 -0.429 330 HG21 ILE 46 1HG2 ILE 46 -0.911 -1.620 1.206 331 HG22 ILE 46 2HG2 ILE 46 -0.125 -0.788 -0.135 332 HG23 ILE 46 3HG2 ILE 46 -1.087 -2.235 -0.437 333 HD11 ILE 46 1HD1 ILE 46 1.787 -3.053 -2.810 334 HD12 ILE 46 2HD1 ILE 46 1.995 -4.389 -1.678 335 HD13 ILE 46 3HD1 ILE 46 0.405 -3.661 -1.900 336 H LYS 47 H LYS 47 0.710 -0.380 3.258 337 HA LYS 47 HA LYS 47 -0.686 -2.205 5.079 338 HB2 LYS 47 1HB LYS 47 0.866 -0.687 6.152 339 HB3 LYS 47 2HB LYS 47 0.108 0.696 5.375 340 HG2 LYS 47 1HG LYS 47 -1.981 0.172 6.619 341 HG3 LYS 47 2HG LYS 47 -1.091 -1.084 7.484 342 HD2 LYS 47 1HD LYS 47 0.458 0.593 8.344 343 HD3 LYS 47 2HD LYS 47 -0.394 1.854 7.450 344 HE2 LYS 47 1HE LYS 47 -2.460 1.210 8.742 345 HE3 LYS 47 2HE LYS 47 -1.422 0.199 9.747 346 HZ1 LYS 47 1HZ LYS 47 -0.586 1.970 10.807 347 HZ2 LYS 47 2HZ LYS 47 -1.975 2.765 10.260 348 HZ3 LYS 47 3HZ LYS 47 -0.519 2.928 9.414 349 H TYR 48 H TYR 48 -2.786 -2.497 4.788 350 HA TYR 48 HA TYR 48 -4.422 -0.220 3.903 351 HB2 TYR 48 1HB TYR 48 -5.730 -1.685 2.455 352 HB3 TYR 48 2HB TYR 48 -4.037 -1.710 1.977 353 HD1 TYR 48 1HD TYR 48 -2.663 -3.700 2.364 354 HD2 TYR 48 2HD TYR 48 -6.800 -3.650 3.358 355 HE1 TYR 48 1HE TYR 48 -2.647 -6.154 2.530 356 HE2 TYR 48 2HE TYR 48 -6.795 -6.103 3.528 357 HH TYR 48 HH TYR 48 -3.889 -7.940 3.527 358 H TYR 49 H TYR 49 -6.011 0.187 5.279 359 HA TYR 49 HA TYR 49 -7.283 -2.026 6.713 360 HB2 TYR 49 1HB TYR 49 -7.101 -0.974 8.845 361 HB3 TYR 49 2HB TYR 49 -5.485 -0.980 8.149 362 HD1 TYR 49 1HD TYR 49 -8.412 1.139 8.906 363 HD2 TYR 49 2HD TYR 49 -4.342 1.055 7.669 364 HE1 TYR 49 1HE TYR 49 -8.266 3.571 9.241 365 HE2 TYR 49 2HE TYR 49 -4.184 3.486 8.001 366 HH TYR 49 HH TYR 49 -6.913 5.346 9.290 367 H GLU 50 H GLU 50 -9.316 -1.311 7.813 368 HA GLU 50 HA GLU 50 -10.968 0.068 5.977 369 HB2 GLU 50 1HB GLU 50 -11.313 -1.184 8.645 370 HB3 GLU 50 2HB GLU 50 -12.511 0.014 8.175 371 HG2 GLU 50 1HG GLU 50 -13.341 -1.270 6.480 372 HG3 GLU 50 2HG GLU 50 -11.822 -2.130 6.239 373 H LYS 51 H LYS 51 -10.931 2.184 5.644 374 HA LYS 51 HA LYS 51 -9.764 4.108 7.262 375 HB2 LYS 51 1HB LYS 51 -10.183 4.681 5.007 376 HB3 LYS 51 2HB LYS 51 -11.893 4.292 5.141 377 HG2 LYS 51 1HG LYS 51 -11.959 6.577 5.168 378 HG3 LYS 51 2HG LYS 51 -11.895 6.228 6.897 379 HD2 LYS 51 1HD LYS 51 -9.494 6.622 6.905 380 HD3 LYS 51 2HD LYS 51 -9.518 6.908 5.163 381 HE2 LYS 51 1HE LYS 51 -9.479 9.034 6.239 382 HE3 LYS 51 2HE LYS 51 -11.100 8.801 5.585 383 HZ1 LYS 51 1HZ LYS 51 -11.938 8.309 7.725 384 HZ2 LYS 51 2HZ LYS 51 -11.003 9.707 7.894 385 HZ3 LYS 51 3HZ LYS 51 -10.391 8.215 8.403 386 H ASP 52 H ASP 52 -13.207 3.247 7.004 387 HA ASP 52 HA ASP 52 -14.126 5.073 8.940 388 HB2 ASP 52 1HB ASP 52 -15.221 2.658 7.597 389 HB3 ASP 52 2HB ASP 52 -16.004 3.166 9.091 390 H LYS 53 H LYS 53 -13.272 1.633 9.191 391 HA LYS 53 HA LYS 53 -13.780 1.489 11.994 392 HB2 LYS 53 1HB LYS 53 -12.106 -0.341 10.264 393 HB3 LYS 53 2HB LYS 53 -12.721 -0.711 11.870 394 HG2 LYS 53 1HG LYS 53 -14.526 -0.067 9.558 395 HG3 LYS 53 2HG LYS 53 -13.976 -1.706 9.916 396 HD2 LYS 53 1HD LYS 53 -14.951 -1.522 12.167 397 HD3 LYS 53 2HD LYS 53 -15.528 0.100 11.773 398 HE2 LYS 53 1HE LYS 53 -16.917 -0.811 9.994 399 HE3 LYS 53 2HE LYS 53 -16.306 -2.431 10.326 400 HZ1 LYS 53 1HZ LYS 53 -17.508 -2.593 12.248 401 HZ2 LYS 53 2HZ LYS 53 -18.558 -1.638 11.327 402 HZ3 LYS 53 3HZ LYS 53 -17.572 -0.921 12.501 403 H GLU 54 H GLU 54 -10.676 1.040 10.296 404 HA GLU 54 HA GLU 54 -8.558 1.709 10.800 405 HB2 GLU 54 1HB GLU 54 -9.765 3.947 11.094 406 HB3 GLU 54 2HB GLU 54 -9.720 3.617 12.820 407 HG2 GLU 54 1HG GLU 54 -7.166 3.269 12.382 408 HG3 GLU 54 2HG GLU 54 -7.492 4.247 10.952 409 H MET 55 H MET 55 -9.396 -0.569 11.987 410 HA MET 55 HA MET 55 -9.086 -0.576 14.817 411 HB2 MET 55 1HB MET 55 -8.800 -2.876 12.877 412 HB3 MET 55 2HB MET 55 -9.045 -3.006 14.614 413 HG2 MET 55 1HG MET 55 -10.990 -1.868 12.619 414 HG3 MET 55 2HG MET 55 -11.103 -3.434 13.419 415 HE1 MET 55 1HE MET 55 -12.743 0.343 14.162 416 HE2 MET 55 2HE MET 55 -11.298 0.694 15.111 417 HE3 MET 55 3HE MET 55 -11.145 0.163 13.435 418 H GLN 56 H GLN 56 -7.327 -1.051 16.073 419 HA GLN 56 HA GLN 56 -4.835 -0.221 15.438 420 HB2 GLN 56 1HB GLN 56 -5.456 -2.564 17.245 421 HB3 GLN 56 2HB GLN 56 -3.977 -1.613 17.267 422 HG2 GLN 56 1HG GLN 56 -5.093 0.292 18.085 423 HG3 GLN 56 2HG GLN 56 -6.678 -0.397 17.741 424 HE21 GLN 56 1HE2 GLN 56 -7.015 -2.582 18.885 425 HE22 GLN 56 2HE2 GLN 56 -6.578 -2.617 20.556 426 H SER 57 H SER 57 -5.866 -3.631 15.269 427 HA SER 57 HA SER 57 -3.492 -4.598 14.123 428 HB2 SER 57 1HB SER 57 -4.711 -6.620 13.663 429 HB3 SER 57 2HB SER 57 -5.289 -5.989 15.205 430 HG SER 57 HG SER 57 -6.602 -6.247 12.787 431 H TYR 58 H TYR 58 -2.667 -3.858 12.279 432 HA TYR 58 HA TYR 58 -4.478 -3.240 10.052 433 HB2 TYR 58 1HB TYR 58 -2.582 -1.998 9.095 434 HB3 TYR 58 2HB TYR 58 -2.976 -1.427 10.713 435 HD1 TYR 58 2HD TYR 58 -1.561 -2.360 12.656 436 HD2 TYR 58 1HD TYR 58 -0.398 -2.627 8.572 437 HE1 TYR 58 2HE TYR 58 0.773 -2.704 13.349 438 HE2 TYR 58 1HE TYR 58 1.939 -2.973 9.254 439 HH TYR 58 HH TYR 58 2.911 -2.783 12.643 440 H SER 59 H SER 59 -3.947 -3.949 7.916 441 HA SER 59 HA SER 59 -2.691 -6.589 7.922 442 HB2 SER 59 1HB SER 59 -4.390 -5.223 5.820 443 HB3 SER 59 2HB SER 59 -3.782 -6.875 5.722 444 HG SER 59 HG SER 59 -4.971 -7.286 7.681 445 H THR 60 H THR 60 -0.825 -7.033 6.918 446 HA THR 60 HA THR 60 0.425 -4.875 5.347 447 HB THR 60 HB THR 60 2.595 -6.166 5.972 448 HG1 THR 60 1HG THR 60 1.354 -7.918 6.969 449 HG21 THR 60 1HG2 THR 60 1.481 -4.871 8.393 450 HG22 THR 60 2HG2 THR 60 1.485 -3.914 6.911 451 HG23 THR 60 3HG2 THR 60 2.995 -4.571 7.542 452 H LEU 61 H LEU 61 0.947 -5.281 3.293 453 HA LEU 61 HA LEU 61 0.887 -8.082 2.379 454 HB2 LEU 61 1HB LEU 61 -0.979 -6.764 1.519 455 HB3 LEU 61 2HB LEU 61 0.151 -5.581 0.864 456 HG LEU 61 HG LEU 61 1.057 -7.639 -0.482 457 HD11 LEU 61 1HD1 LEU 61 -0.186 -9.396 0.482 458 HD12 LEU 61 2HD1 LEU 61 -0.899 -9.114 -1.106 459 HD13 LEU 61 3HD1 LEU 61 -1.702 -8.505 0.341 460 HD21 LEU 61 1HD2 LEU 61 -0.888 -7.177 -2.159 461 HD22 LEU 61 2HD2 LEU 61 0.251 -5.894 -1.750 462 HD23 LEU 61 3HD2 LEU 61 -1.341 -5.936 -0.990 463 H LYS 62 H LYS 62 2.652 -8.860 1.413 464 HA LYS 62 HA LYS 62 4.921 -7.070 1.031 465 HB2 LYS 62 1HB LYS 62 4.696 -10.084 0.968 466 HB3 LYS 62 2HB LYS 62 6.193 -9.201 0.697 467 HG2 LYS 62 1HG LYS 62 4.695 -8.617 3.186 468 HG3 LYS 62 2HG LYS 62 5.525 -10.171 3.069 469 HD2 LYS 62 1HD LYS 62 7.626 -9.142 2.781 470 HD3 LYS 62 2HD LYS 62 6.898 -7.570 2.443 471 HE2 LYS 62 1HE LYS 62 6.285 -7.256 4.693 472 HE3 LYS 62 2HE LYS 62 6.546 -8.955 5.086 473 HZ1 LYS 62 1HZ LYS 62 8.346 -6.865 5.352 474 HZ2 LYS 62 2HZ LYS 62 8.930 -7.821 4.086 475 HZ3 LYS 62 3HZ LYS 62 8.639 -8.513 5.602 476 H ALA 63 H ALA 63 5.828 -6.589 -0.901 477 HA ALA 63 HA ALA 63 4.933 -8.001 -3.298 478 HB1 ALA 63 1HB ALA 63 3.363 -6.257 -3.309 479 HB2 ALA 63 2HB ALA 63 4.558 -5.063 -2.799 480 HB3 ALA 63 3HB ALA 63 4.626 -5.738 -4.427 481 H VAL 64 H VAL 64 6.576 -8.386 -4.638 482 HA VAL 64 HA VAL 64 9.181 -7.280 -4.042 483 HB VAL 64 HB VAL 64 10.000 -8.795 -5.807 484 HG11 VAL 64 1HG1 VAL 64 8.152 -10.046 -3.779 485 HG12 VAL 64 2HG1 VAL 64 9.393 -10.917 -4.681 486 HG13 VAL 64 3HG1 VAL 64 9.854 -9.640 -3.554 487 HG21 VAL 64 1HG2 VAL 64 8.188 -8.782 -7.357 488 HG22 VAL 64 2HG2 VAL 64 8.368 -10.436 -6.772 489 HG23 VAL 64 3HG2 VAL 64 7.072 -9.415 -6.148 490 H THR 65 H THR 65 6.728 -6.987 -6.527 491 HA THR 65 HA THR 65 8.451 -5.255 -8.132 492 HB THR 65 HB THR 65 7.296 -6.735 -9.532 493 HG1 THR 65 1HG THR 65 7.080 -4.646 -10.346 494 HG21 THR 65 1HG2 THR 65 4.818 -7.048 -9.400 495 HG22 THR 65 2HG2 THR 65 4.832 -6.117 -7.902 496 HG23 THR 65 3HG2 THR 65 5.696 -7.651 -7.995 497 H THR 66 H THR 66 7.402 -3.246 -9.035 498 HA THR 66 HA THR 66 6.435 -1.656 -6.829 499 HB THR 66 HB THR 66 6.489 0.217 -8.524 500 HG1 THR 66 1HG THR 66 6.313 -1.356 -10.341 501 HG21 THR 66 1HG2 THR 66 9.082 -1.313 -8.326 502 HG22 THR 66 2HG2 THR 66 8.387 -0.394 -6.990 503 HG23 THR 66 3HG2 THR 66 8.868 0.431 -8.472 504 H ARG 67 H ARG 67 4.785 -3.782 -8.351 505 HA ARG 67 HA ARG 67 2.363 -2.144 -8.487 506 HB2 ARG 67 1HB ARG 67 3.018 -4.213 -10.586 507 HB3 ARG 67 2HB ARG 67 1.638 -3.123 -10.556 508 HG2 ARG 67 1HG ARG 67 2.934 -1.270 -11.118 509 HG3 ARG 67 2HG ARG 67 4.439 -2.072 -10.664 510 HD2 ARG 67 1HD ARG 67 2.794 -3.249 -12.848 511 HD3 ARG 67 2HD ARG 67 3.734 -1.797 -13.189 512 HE ARG 67 HE ARG 67 5.208 -3.936 -11.923 513 HH11 ARG 67 2HH1 ARG 67 4.213 -2.471 -14.921 514 HH12 ARG 67 1HH1 ARG 67 5.507 -3.165 -15.840 515 HH21 ARG 67 2HH2 ARG 67 6.916 -4.855 -13.123 516 HH22 ARG 67 1HH2 ARG 67 7.043 -4.521 -14.817 517 H ALA 68 H ALA 68 0.779 -3.017 -7.330 518 HA ALA 68 HA ALA 68 0.505 -5.908 -7.142 519 HB1 ALA 68 1HB ALA 68 0.657 -4.283 -4.615 520 HB2 ALA 68 2HB ALA 68 0.590 -6.038 -4.779 521 HB3 ALA 68 3HB ALA 68 2.034 -5.160 -5.282 522 H THR 69 H THR 69 -1.517 -6.510 -5.948 523 HA THR 69 HA THR 69 -3.561 -4.400 -6.093 524 HB THR 69 HB THR 69 -3.883 -7.205 -7.178 525 HG1 THR 69 1HG THR 69 -4.169 -4.854 -8.700 526 HG21 THR 69 1HG2 THR 69 -5.804 -4.910 -6.860 527 HG22 THR 69 2HG2 THR 69 -5.979 -6.572 -6.296 528 HG23 THR 69 3HG2 THR 69 -6.073 -6.212 -8.019 529 H VAL 70 H VAL 70 -4.156 -4.162 -4.028 530 HA VAL 70 HA VAL 70 -4.081 -6.249 -2.099 531 HB VAL 70 HB VAL 70 -5.482 -3.575 -1.977 532 HG11 VAL 70 1HG1 VAL 70 -5.124 -4.034 0.550 533 HG12 VAL 70 2HG1 VAL 70 -6.483 -4.794 -0.280 534 HG13 VAL 70 3HG1 VAL 70 -5.020 -5.723 0.053 535 HG21 VAL 70 1HG2 VAL 70 -3.326 -2.890 -2.075 536 HG22 VAL 70 2HG2 VAL 70 -3.356 -3.314 -0.363 537 HG23 VAL 70 3HG2 VAL 70 -2.691 -4.446 -1.541 538 H SER 71 H SER 71 -5.394 -7.955 -2.289 539 HA SER 71 HA SER 71 -8.228 -7.472 -2.931 540 HB2 SER 71 1HB SER 71 -6.551 -9.967 -3.284 541 HB3 SER 71 2HB SER 71 -8.286 -9.882 -3.586 542 HG SER 71 HG SER 71 -6.490 -8.105 -4.843 543 H GLY 72 H GLY 72 -9.832 -8.332 -1.642 544 HA2 GLY 72 1HA GLY 72 -10.548 -9.849 0.107 545 HA3 GLY 72 2HA GLY 72 -8.950 -9.697 0.820 546 H LEU 73 H LEU 73 -11.227 -7.226 -0.340 547 HA LEU 73 HA LEU 73 -11.244 -6.109 2.387 548 HB2 LEU 73 1HB LEU 73 -11.508 -4.512 -0.147 549 HB3 LEU 73 2HB LEU 73 -11.283 -3.906 1.492 550 HG LEU 73 HG LEU 73 -9.173 -5.579 0.177 551 HD11 LEU 73 1HD1 LEU 73 -8.100 -3.470 -0.547 552 HD12 LEU 73 2HD1 LEU 73 -9.584 -2.611 -0.138 553 HD13 LEU 73 3HD1 LEU 73 -9.594 -3.827 -1.415 554 HD21 LEU 73 1HD2 LEU 73 -7.877 -3.811 1.678 555 HD22 LEU 73 2HD2 LEU 73 -8.527 -5.311 2.340 556 HD23 LEU 73 3HD2 LEU 73 -9.417 -3.800 2.536 557 H LYS 74 H LYS 74 -13.152 -4.404 2.500 558 HA LYS 74 HA LYS 74 -15.560 -5.892 1.742 559 HB2 LYS 74 1HB LYS 74 -14.952 -3.870 3.878 560 HB3 LYS 74 2HB LYS 74 -16.614 -4.185 3.397 561 HG2 LYS 74 1HG LYS 74 -16.615 -6.300 4.272 562 HG3 LYS 74 2HG LYS 74 -14.868 -6.488 4.105 563 HD2 LYS 74 1HD LYS 74 -15.303 -6.281 6.426 564 HD3 LYS 74 2HD LYS 74 -14.628 -4.736 5.906 565 HE2 LYS 74 1HE LYS 74 -16.404 -4.002 7.147 566 HE3 LYS 74 2HE LYS 74 -17.165 -4.125 5.561 567 HZ1 LYS 74 1HZ LYS 74 -18.425 -5.124 7.473 568 HZ2 LYS 74 2HZ LYS 74 -17.239 -6.328 7.540 569 HZ3 LYS 74 3HZ LYS 74 -18.183 -6.147 6.148 570 HA PRO 75 HA PRO 75 -16.664 -2.925 -1.320 571 HB2 PRO 75 1HB PRO 75 -19.340 -3.378 -1.402 572 HB3 PRO 75 2HB PRO 75 -18.155 -4.496 -2.087 573 HG2 PRO 75 1HG PRO 75 -19.577 -4.622 0.544 574 HG3 PRO 75 2HG PRO 75 -19.256 -5.923 -0.617 575 HD2 PRO 75 1HD PRO 75 -17.768 -5.563 1.616 576 HD3 PRO 75 2HD PRO 75 -17.086 -6.205 0.108 577 H GLY 76 H GLY 76 -17.959 -0.994 -1.644 578 HA2 GLY 76 1HA GLY 76 -18.466 1.124 -0.854 579 HA3 GLY 76 2HA GLY 76 -19.750 0.234 -0.048 580 H THR 77 H THR 77 -16.237 0.332 0.505 581 HA THR 77 HA THR 77 -16.679 1.606 3.093 582 HB THR 77 HB THR 77 -15.188 -1.014 2.846 583 HG1 THR 77 1HG THR 77 -17.432 -0.745 4.482 584 HG21 THR 77 1HG2 THR 77 -14.138 0.192 4.561 585 HG22 THR 77 2HG2 THR 77 -15.317 -0.811 5.405 586 HG23 THR 77 3HG2 THR 77 -15.656 0.895 5.118 587 H ARG 78 H ARG 78 -15.314 3.257 3.158 588 HA ARG 78 HA ARG 78 -13.167 3.658 1.430 589 HB2 ARG 78 1HB ARG 78 -14.139 4.924 3.929 590 HB3 ARG 78 2HB ARG 78 -12.468 5.248 3.486 591 HG2 ARG 78 1HG ARG 78 -13.551 5.765 1.139 592 HG3 ARG 78 2HG ARG 78 -14.982 6.052 2.131 593 HD2 ARG 78 1HD ARG 78 -13.566 7.573 3.546 594 HD3 ARG 78 2HD ARG 78 -12.302 7.410 2.327 595 HE ARG 78 HE ARG 78 -13.515 8.770 0.916 596 HH11 ARG 78 2HH1 ARG 78 -15.449 7.884 3.672 597 HH12 ARG 78 1HH1 ARG 78 -16.704 9.027 3.323 598 HH21 ARG 78 2HH2 ARG 78 -15.160 10.279 0.447 599 HH22 ARG 78 1HH2 ARG 78 -16.538 10.388 1.488 600 H TYR 79 H TYR 79 -10.942 3.465 1.648 601 HA TYR 79 HA TYR 79 -9.954 1.959 3.967 602 HB2 TYR 79 1HB TYR 79 -9.879 1.161 1.106 603 HB3 TYR 79 2HB TYR 79 -8.430 0.853 2.058 604 HD1 TYR 79 2HD TYR 79 -8.500 -0.704 3.958 605 HD2 TYR 79 1HD TYR 79 -11.905 -0.081 1.482 606 HE1 TYR 79 2HE TYR 79 -9.522 -2.752 4.858 607 HE2 TYR 79 1HE TYR 79 -12.937 -2.126 2.377 608 HH TYR 79 HH TYR 79 -12.820 -3.603 4.197 609 H VAL 80 H VAL 80 -7.584 2.033 4.177 610 HA VAL 80 HA VAL 80 -6.441 4.471 2.976 611 HB VAL 80 HB VAL 80 -5.861 3.494 5.772 612 HG11 VAL 80 1HG1 VAL 80 -4.183 4.911 4.433 613 HG12 VAL 80 2HG1 VAL 80 -5.334 6.229 4.664 614 HG13 VAL 80 3HG1 VAL 80 -4.607 5.436 6.062 615 HG21 VAL 80 1HG2 VAL 80 -7.719 5.690 4.865 616 HG22 VAL 80 2HG2 VAL 80 -8.177 4.190 5.672 617 HG23 VAL 80 3HG2 VAL 80 -7.230 5.402 6.535 618 H PHE 81 H PHE 81 -4.878 3.883 1.627 619 HA PHE 81 HA PHE 81 -3.263 1.515 2.247 620 HB2 PHE 81 1HB PHE 81 -3.647 3.063 -0.320 621 HB3 PHE 81 2HB PHE 81 -2.509 1.731 -0.141 622 HD1 PHE 81 1HD PHE 81 -3.318 -0.556 0.194 623 HD2 PHE 81 2HD PHE 81 -5.994 2.678 -0.510 624 HE1 PHE 81 1HE PHE 81 -5.105 -2.158 -0.349 625 HE2 PHE 81 2HE PHE 81 -7.786 1.081 -1.052 626 HZ PHE 81 HZ PHE 81 -7.343 -1.340 -0.972 627 H GLN 82 H GLN 82 -0.969 1.585 2.049 628 HA GLN 82 HA GLN 82 0.361 4.135 1.814 629 HB2 GLN 82 1HB GLN 82 0.258 2.660 4.444 630 HB3 GLN 82 2HB GLN 82 1.481 3.866 4.068 631 HG2 GLN 82 1HG GLN 82 -0.617 5.349 3.521 632 HG3 GLN 82 2HG GLN 82 -1.423 4.206 4.594 633 HE21 GLN 82 1HE2 GLN 82 0.660 6.894 4.363 634 HE22 GLN 82 2HE2 GLN 82 0.972 7.093 6.050 635 H VAL 83 H VAL 83 2.085 3.719 0.618 636 HA VAL 83 HA VAL 83 3.289 1.049 0.717 637 HB VAL 83 HB VAL 83 3.674 3.272 -1.293 638 HG11 VAL 83 1HG1 VAL 83 5.474 1.338 -0.748 639 HG12 VAL 83 2HG1 VAL 83 4.471 0.513 -1.944 640 HG13 VAL 83 3HG1 VAL 83 5.245 2.046 -2.347 641 HG21 VAL 83 1HG2 VAL 83 1.673 2.565 -2.016 642 HG22 VAL 83 2HG2 VAL 83 2.552 1.157 -2.612 643 HG23 VAL 83 3HG2 VAL 83 1.738 1.092 -1.049 644 H ARG 84 H ARG 84 5.334 0.688 1.384 645 HA ARG 84 HA ARG 84 7.119 2.956 1.845 646 HB2 ARG 84 1HB ARG 84 7.646 2.221 4.114 647 HB3 ARG 84 2HB ARG 84 5.940 2.620 3.969 648 HG2 ARG 84 1HG ARG 84 5.421 0.223 3.755 649 HG3 ARG 84 2HG ARG 84 7.132 -0.144 3.984 650 HD2 ARG 84 1HD ARG 84 7.069 0.896 6.189 651 HD3 ARG 84 2HD ARG 84 5.369 1.303 5.958 652 HE ARG 84 HE ARG 84 5.514 -1.415 5.618 653 HH11 ARG 84 2HH1 ARG 84 6.329 0.837 8.145 654 HH12 ARG 84 1HH1 ARG 84 6.033 -0.292 9.425 655 HH21 ARG 84 2HH2 ARG 84 5.122 -2.910 7.295 656 HH22 ARG 84 1HH2 ARG 84 5.347 -2.423 8.941 657 H ALA 85 H ALA 85 9.337 2.384 2.007 658 HA ALA 85 HA ALA 85 9.941 -0.168 0.703 659 HB1 ALA 85 1HB ALA 85 12.259 1.456 0.962 660 HB2 ALA 85 2HB ALA 85 11.376 1.019 -0.501 661 HB3 ALA 85 3HB ALA 85 10.930 2.469 0.398 662 H ARG 86 H ARG 86 10.703 -1.807 1.854 663 HA ARG 86 HA ARG 86 11.830 -1.269 4.510 664 HB2 ARG 86 1HB ARG 86 9.958 -2.792 4.536 665 HB3 ARG 86 2HB ARG 86 10.696 -3.789 3.289 666 HG2 ARG 86 1HG ARG 86 12.381 -4.552 4.773 667 HG3 ARG 86 2HG ARG 86 11.934 -3.358 5.993 668 HD2 ARG 86 1HD ARG 86 10.209 -5.644 5.044 669 HD3 ARG 86 2HD ARG 86 11.107 -5.593 6.561 670 HE ARG 86 HE ARG 86 9.229 -3.429 6.167 671 HH11 ARG 86 2HH1 ARG 86 9.775 -6.613 7.465 672 HH12 ARG 86 1HH1 ARG 86 8.465 -6.518 8.596 673 HH21 ARG 86 2HH2 ARG 86 7.503 -3.292 7.651 674 HH22 ARG 86 1HH2 ARG 86 7.173 -4.630 8.700 675 H THR 87 H THR 87 13.963 -1.256 4.678 676 HA THR 87 HA THR 87 15.538 -2.924 2.827 677 HB THR 87 HB THR 87 17.403 -1.361 3.180 678 HG1 THR 87 1HG THR 87 16.997 0.581 4.326 679 HG21 THR 87 1HG2 THR 87 15.389 -1.025 1.487 680 HG22 THR 87 2HG2 THR 87 16.681 0.166 1.634 681 HG23 THR 87 3HG2 THR 87 15.142 0.430 2.452 682 H SER 88 H SER 88 17.182 -4.199 3.621 683 HA SER 88 HA SER 88 16.979 -5.583 5.891 684 HB2 SER 88 1HB SER 88 19.424 -5.987 5.829 685 HB3 SER 88 2HB SER 88 18.692 -6.082 4.228 686 HG SER 88 HG SER 88 20.160 -3.916 5.323 687 H ALA 89 H ALA 89 18.463 -2.397 5.641 688 HA ALA 89 HA ALA 89 19.517 -2.221 8.230 689 HB1 ALA 89 1HB ALA 89 19.084 0.326 7.800 690 HB2 ALA 89 2HB ALA 89 20.287 -0.552 6.854 691 HB3 ALA 89 3HB ALA 89 18.694 -0.228 6.172 692 H GLY 90 H GLY 90 16.402 -0.999 6.983 693 HA2 GLY 90 1HA GLY 90 14.968 -1.732 9.312 694 HA3 GLY 90 2HA GLY 90 15.396 -0.029 9.393 695 H CYS 91 H CYS 91 12.827 -0.387 9.448 696 HA CYS 91 HA CYS 91 11.651 -0.546 6.819 697 HB2 CYS 91 1HB CYS 91 10.445 0.150 9.504 698 HB3 CYS 91 2HB CYS 91 9.527 -0.062 8.019 699 HG CYS 91 HG CYS 91 10.038 -2.754 7.750 700 H GLY 92 H GLY 92 10.266 1.172 5.950 701 HA2 GLY 92 1HA GLY 92 11.436 3.825 6.511 702 HA3 GLY 92 2HA GLY 92 10.840 3.316 4.938 703 H ARG 93 H ARG 93 9.999 5.688 6.003 704 HA ARG 93 HA ARG 93 7.596 5.481 7.497 705 HB2 ARG 93 1HB ARG 93 8.616 7.704 5.719 706 HB3 ARG 93 2HB ARG 93 7.240 7.841 6.805 707 HG2 ARG 93 1HG ARG 93 8.966 7.089 8.615 708 HG3 ARG 93 2HG ARG 93 10.144 7.670 7.437 709 HD2 ARG 93 1HD ARG 93 7.810 9.308 8.405 710 HD3 ARG 93 2HD ARG 93 9.406 9.355 9.153 711 HE ARG 93 HE ARG 93 9.969 9.868 6.577 712 HH11 ARG 93 2HH1 ARG 93 7.618 11.205 8.770 713 HH12 ARG 93 1HH1 ARG 93 7.617 12.768 8.022 714 HH21 ARG 93 2HH2 ARG 93 9.976 11.921 5.584 715 HH22 ARG 93 1HH2 ARG 93 8.957 13.174 6.209 716 H PHE 94 H PHE 94 5.462 5.548 6.846 717 HA PHE 94 HA PHE 94 4.801 4.235 4.453 718 HB2 PHE 94 1HB PHE 94 3.274 5.605 6.613 719 HB3 PHE 94 2HB PHE 94 2.435 5.282 5.099 720 HD1 PHE 94 1HD PHE 94 3.232 2.738 4.222 721 HD2 PHE 94 2HD PHE 94 2.719 4.085 8.227 722 HE1 PHE 94 1HE PHE 94 2.820 0.422 4.944 723 HE2 PHE 94 2HE PHE 94 2.306 1.771 8.956 724 HZ PHE 94 HZ PHE 94 2.357 -0.064 7.314 725 H SER 95 H SER 95 4.369 4.934 2.452 726 HA SER 95 HA SER 95 5.186 7.246 1.362 727 HB2 SER 95 1HB SER 95 3.406 6.934 -0.404 728 HB3 SER 95 2HB SER 95 4.374 5.499 -0.065 729 HG SER 95 HG SER 95 1.706 5.882 0.216 730 H GLN 96 H GLN 96 1.681 6.861 1.807 731 HA GLN 96 HA GLN 96 1.369 9.231 3.342 732 HB2 GLN 96 1HB GLN 96 0.936 9.378 0.373 733 HB3 GLN 96 2HB GLN 96 0.012 10.399 1.468 734 HG2 GLN 96 1HG GLN 96 2.390 10.992 2.405 735 HG3 GLN 96 2HG GLN 96 2.910 10.456 0.808 736 HE21 GLN 96 1HE2 GLN 96 1.185 12.855 2.609 737 HE22 GLN 96 2HE2 GLN 96 0.993 13.988 1.318 738 H ALA 97 H ALA 97 -0.898 9.738 3.759 739 HA ALA 97 HA ALA 97 -2.474 7.334 3.900 740 HB1 ALA 97 1HB ALA 97 -2.249 9.308 5.617 741 HB2 ALA 97 2HB ALA 97 -3.573 9.993 4.673 742 HB3 ALA 97 3HB ALA 97 -3.765 8.422 5.451 743 H MET 98 H MET 98 -3.340 6.703 1.999 744 HA MET 98 HA MET 98 -4.799 8.702 0.411 745 HB2 MET 98 1HB MET 98 -3.122 7.608 -0.901 746 HB3 MET 98 2HB MET 98 -3.631 6.022 -0.338 747 HG2 MET 98 1HG MET 98 -5.421 5.939 -1.740 748 HG3 MET 98 2HG MET 98 -5.624 7.689 -1.763 749 HE1 MET 98 1HE MET 98 -4.209 4.780 -4.303 750 HE2 MET 98 2HE MET 98 -5.778 5.405 -3.796 751 HE3 MET 98 3HE MET 98 -5.040 5.980 -5.292 752 H GLU 99 H GLU 99 -6.949 8.646 0.376 753 HA GLU 99 HA GLU 99 -8.301 6.350 1.594 754 HB2 GLU 99 1HB GLU 99 -9.406 9.082 0.920 755 HB3 GLU 99 2HB GLU 99 -10.229 7.824 1.832 756 HG2 GLU 99 1HG GLU 99 -9.012 8.194 3.718 757 HG3 GLU 99 2HG GLU 99 -7.600 8.766 2.831 758 H VAL 100 H VAL 100 -9.332 4.915 0.381 759 HA VAL 100 HA VAL 100 -10.403 5.742 -2.224 760 HB VAL 100 HB VAL 100 -8.707 3.291 -1.738 761 HG11 VAL 100 1HG1 VAL 100 -10.698 3.921 -3.819 762 HG12 VAL 100 2HG1 VAL 100 -9.158 3.277 -4.393 763 HG13 VAL 100 3HG1 VAL 100 -10.121 2.361 -3.233 764 HG21 VAL 100 1HG2 VAL 100 -7.031 4.568 -2.440 765 HG22 VAL 100 2HG2 VAL 100 -7.859 4.762 -3.985 766 HG23 VAL 100 3HG2 VAL 100 -8.126 5.928 -2.689 767 H GLU 101 H GLU 101 -12.405 5.014 -2.615 768 HA GLU 101 HA GLU 101 -13.551 3.103 -0.703 769 HB2 GLU 101 1HB GLU 101 -14.486 5.525 -1.262 770 HB3 GLU 101 2HB GLU 101 -15.254 4.664 -2.588 771 HG2 GLU 101 1HG GLU 101 -15.949 3.026 -0.627 772 HG3 GLU 101 2HG GLU 101 -15.747 4.494 0.327 773 H THR 102 H THR 102 -14.039 1.115 -1.341 774 HA THR 102 HA THR 102 -13.579 0.261 -4.021 775 HB THR 102 HB THR 102 -14.426 -1.947 -3.227 776 HG1 THR 102 1HG THR 102 -14.471 -1.140 -0.587 777 HG21 THR 102 1HG2 THR 102 -12.550 -2.434 -1.875 778 HG22 THR 102 2HG2 THR 102 -12.482 -0.790 -1.240 779 HG23 THR 102 3HG2 THR 102 -12.043 -1.107 -2.919 780 H GLY 103 H GLY 103 -15.148 -0.885 -5.365 781 HA2 GLY 103 1HA GLY 103 -17.383 0.626 -5.994 782 HA3 GLY 103 2HA GLY 103 -17.152 -1.048 -6.475 783 H LYS 104 H LYS 104 -19.329 0.875 -5.135 784 HA LYS 104 HA LYS 104 -20.116 -0.487 -2.779 785 HB2 LYS 104 1HB LYS 104 -21.559 1.370 -4.663 786 HB3 LYS 104 2HB LYS 104 -22.352 0.668 -3.259 787 HG2 LYS 104 1HG LYS 104 -20.310 1.647 -1.968 788 HG3 LYS 104 2HG LYS 104 -20.163 2.686 -3.387 789 HD2 LYS 104 1HD LYS 104 -22.425 3.486 -3.081 790 HD3 LYS 104 2HD LYS 104 -22.671 2.367 -1.738 791 HE2 LYS 104 1HE LYS 104 -21.407 3.608 -0.295 792 HE3 LYS 104 2HE LYS 104 -20.383 4.255 -1.576 793 HZ1 LYS 104 1HZ LYS 104 -22.327 5.629 -0.338 794 HZ2 LYS 104 2HZ LYS 104 -23.146 5.083 -1.713 795 HZ3 LYS 104 3HZ LYS 104 -21.733 5.997 -1.878 796 HA PRO 105 HA PRO 105 -22.139 -4.065 -4.331 797 HB2 PRO 105 1HB PRO 105 -24.020 -4.433 -2.409 798 HB3 PRO 105 2HB PRO 105 -22.302 -4.757 -2.147 799 HG2 PRO 105 1HG PRO 105 -23.918 -2.359 -1.371 800 HG3 PRO 105 2HG PRO 105 -22.695 -3.235 -0.433 801 HD2 PRO 105 1HD PRO 105 -22.159 -0.911 -1.715 802 HD3 PRO 105 2HD PRO 105 -20.943 -2.186 -1.501 803 H SER 106 H SER 106 -24.414 -4.930 -4.763 804 HA SER 106 HA SER 106 -26.505 -2.999 -5.149 805 HB2 SER 106 1HB SER 106 -24.998 -2.541 -7.088 806 HB3 SER 106 2HB SER 106 -25.232 -4.207 -7.616 807 HG SER 106 HG SER 106 -26.883 -3.390 -8.633 808 H GLY 107 H GLY 107 -28.493 -3.953 -5.838 809 HA2 GLY 107 1HA GLY 107 -28.896 -6.574 -6.642 810 HA3 GLY 107 2HA GLY 107 -28.849 -6.608 -4.885 811 HA PRO 108 HA PRO 108 -33.225 -5.826 -6.125 812 HB2 PRO 108 1HB PRO 108 -34.283 -7.505 -4.272 813 HB3 PRO 108 2HB PRO 108 -33.740 -8.050 -5.863 814 HG2 PRO 108 1HG PRO 108 -32.331 -8.201 -3.227 815 HG3 PRO 108 2HG PRO 108 -32.453 -9.427 -4.502 816 HD2 PRO 108 1HD PRO 108 -30.257 -7.875 -4.178 817 HD3 PRO 108 2HD PRO 108 -30.791 -8.456 -5.769 818 H SER 109 H SER 109 -33.105 -3.703 -5.310 819 HA SER 109 HA SER 109 -33.613 -3.443 -2.419 820 HB2 SER 109 1HB SER 109 -32.527 -1.350 -2.420 821 HB3 SER 109 2HB SER 109 -31.507 -2.366 -3.439 822 HG SER 109 HG SER 109 -31.767 -0.770 -4.797 823 H SER 110 H SER 110 -34.785 -1.222 -2.000 824 HA SER 110 HA SER 110 -36.906 -0.796 -3.976 825 HB2 SER 110 1HB SER 110 -38.651 -0.952 -2.289 826 HB3 SER 110 2HB SER 110 -37.732 -2.457 -2.318 827 HG SER 110 HG SER 110 -38.208 -1.416 -0.190 828 H GLY 111 H GLY 111 -38.028 1.216 -3.746 829 HA2 GLY 111 1HA GLY 111 -36.336 3.366 -3.014 830 HA3 GLY 111 2HA GLY 111 -38.025 3.498 -3.482 Start of MODEL 17 1 H1 GLY 1 H GLY 1 45.239 5.242 9.779 2 HA2 GLY 1 1HA GLY 1 44.141 3.171 8.028 3 HA3 GLY 1 2HA GLY 1 44.292 2.785 9.736 4 H SER 2 H SER 2 42.452 4.392 7.336 5 HA SER 2 HA SER 2 40.960 6.180 8.883 6 HB2 SER 2 1HB SER 2 41.008 5.896 6.324 7 HB3 SER 2 2HB SER 2 39.794 4.641 6.569 8 HG SER 2 HG SER 2 39.435 7.168 7.740 9 H SER 3 H SER 3 38.566 5.920 9.325 10 HA SER 3 HA SER 3 38.142 3.336 10.666 11 HB2 SER 3 1HB SER 3 37.295 6.139 11.295 12 HB3 SER 3 2HB SER 3 36.309 4.795 11.870 13 HG SER 3 HG SER 3 37.931 4.118 13.134 14 H GLY 4 H GLY 4 35.939 2.494 10.729 15 HA2 GLY 4 1HA GLY 4 34.080 3.482 8.726 16 HA3 GLY 4 2HA GLY 4 34.788 1.910 8.383 17 H SER 5 H SER 5 33.383 0.357 8.824 18 HA SER 5 HA SER 5 31.845 -0.928 9.901 19 HB2 SER 5 1HB SER 5 33.460 -0.817 11.767 20 HB3 SER 5 2HB SER 5 32.683 0.658 12.342 21 HG SER 5 HG SER 5 32.052 -1.555 13.229 22 H SER 6 H SER 6 30.895 1.309 8.550 23 HA SER 6 HA SER 6 28.872 2.519 10.272 24 HB2 SER 6 1HB SER 6 30.221 3.868 8.598 25 HB3 SER 6 2HB SER 6 29.318 3.041 7.329 26 HG SER 6 HG SER 6 27.878 4.245 9.397 27 H GLY 7 H GLY 7 26.630 2.451 9.770 28 HA2 GLY 7 1HA GLY 7 25.868 -0.043 8.407 29 HA3 GLY 7 2HA GLY 7 24.910 0.788 9.623 30 H GLN 8 H GLN 8 23.507 0.092 7.539 31 HA GLN 8 HA GLN 8 23.548 2.099 5.461 32 HB2 GLN 8 1HB GLN 8 21.964 -0.370 6.016 33 HB3 GLN 8 2HB GLN 8 21.289 0.830 4.922 34 HG2 GLN 8 1HG GLN 8 22.387 -0.569 3.474 35 HG3 GLN 8 2HG GLN 8 23.594 0.687 3.747 36 HE21 GLN 8 1HE2 GLN 8 25.389 -0.512 3.381 37 HE22 GLN 8 2HE2 GLN 8 25.875 -1.847 4.362 38 H ALA 9 H ALA 9 21.628 3.376 4.923 39 HA ALA 9 HA ALA 9 20.368 4.413 7.363 40 HB1 ALA 9 1HB ALA 9 20.170 5.845 4.764 41 HB2 ALA 9 2HB ALA 9 20.302 6.486 6.402 42 HB3 ALA 9 3HB ALA 9 21.724 5.824 5.598 43 H ALA 10 H ALA 10 18.159 4.656 7.547 44 HA ALA 10 HA ALA 10 16.496 2.757 6.426 45 HB1 ALA 10 1HB ALA 10 16.216 4.981 8.189 46 HB2 ALA 10 2HB ALA 10 14.876 4.985 7.041 47 HB3 ALA 10 3HB ALA 10 15.187 3.557 8.027 48 HA PRO 11 HA PRO 11 15.587 4.139 2.349 49 HB2 PRO 11 1HB PRO 11 13.170 2.954 2.002 50 HB3 PRO 11 2HB PRO 11 14.691 2.053 1.999 51 HG2 PRO 11 1HG PRO 11 12.696 2.396 4.205 52 HG3 PRO 11 2HG PRO 11 13.559 0.934 3.695 53 HD2 PRO 11 1HD PRO 11 14.322 2.402 5.839 54 HD3 PRO 11 2HD PRO 11 15.482 1.523 4.822 55 H SER 12 H SER 12 14.688 5.899 1.441 56 HA SER 12 HA SER 12 13.280 7.778 2.959 57 HB2 SER 12 1HB SER 12 13.909 7.475 0.052 58 HB3 SER 12 2HB SER 12 12.733 8.696 0.538 59 HG SER 12 HG SER 12 15.148 8.570 1.934 60 H GLN 13 H GLN 13 11.120 8.649 2.551 61 HA GLN 13 HA GLN 13 9.178 6.514 2.422 62 HB2 GLN 13 1HB GLN 13 9.007 8.307 4.114 63 HB3 GLN 13 2HB GLN 13 8.773 9.483 2.827 64 HG2 GLN 13 1HG GLN 13 6.715 8.313 2.162 65 HG3 GLN 13 2HG GLN 13 6.941 7.194 3.506 66 HE21 GLN 13 1HE2 GLN 13 5.055 9.557 2.654 67 HE22 GLN 13 2HE2 GLN 13 4.821 10.389 4.150 68 H VAL 14 H VAL 14 7.455 6.365 0.967 69 HA VAL 14 HA VAL 14 8.021 7.522 -1.654 70 HB VAL 14 HB VAL 14 6.163 5.306 -0.793 71 HG11 VAL 14 1HG1 VAL 14 6.653 6.260 -3.609 72 HG12 VAL 14 2HG1 VAL 14 5.539 4.997 -3.080 73 HG13 VAL 14 3HG1 VAL 14 5.228 6.681 -2.659 74 HG21 VAL 14 1HG2 VAL 14 7.848 4.288 -2.668 75 HG22 VAL 14 2HG2 VAL 14 8.892 5.458 -1.862 76 HG23 VAL 14 3HG2 VAL 14 8.108 4.186 -0.926 77 H VAL 15 H VAL 15 6.945 9.219 -2.399 78 HA VAL 15 HA VAL 15 4.358 9.899 -1.161 79 HB VAL 15 HB VAL 15 4.780 12.222 -1.765 80 HG11 VAL 15 1HG1 VAL 15 7.166 11.060 -0.333 81 HG12 VAL 15 2HG1 VAL 15 6.531 12.700 -0.181 82 HG13 VAL 15 3HG1 VAL 15 5.586 11.329 0.403 83 HG21 VAL 15 1HG2 VAL 15 6.540 11.171 -3.619 84 HG22 VAL 15 2HG2 VAL 15 6.327 12.879 -3.234 85 HG23 VAL 15 3HG2 VAL 15 7.592 11.946 -2.434 86 H VAL 16 H VAL 16 5.259 8.271 -3.670 87 HA VAL 16 HA VAL 16 3.422 9.610 -5.549 88 HB VAL 16 HB VAL 16 5.760 7.816 -6.217 89 HG11 VAL 16 1HG1 VAL 16 4.879 9.138 -8.507 90 HG12 VAL 16 2HG1 VAL 16 4.690 7.425 -8.128 91 HG13 VAL 16 3HG1 VAL 16 3.411 8.567 -7.714 92 HG21 VAL 16 1HG2 VAL 16 6.499 10.008 -5.506 93 HG22 VAL 16 2HG2 VAL 16 6.707 9.848 -7.250 94 HG23 VAL 16 3HG2 VAL 16 5.356 10.781 -6.605 95 H ILE 17 H ILE 17 1.522 8.591 -5.332 96 HA ILE 17 HA ILE 17 1.465 5.707 -5.814 97 HB ILE 17 HB ILE 17 0.037 7.046 -3.514 98 HG12 ILE 17 1HG1 ILE 17 2.034 4.776 -3.494 99 HG13 ILE 17 2HG1 ILE 17 2.460 6.458 -3.197 100 HG21 ILE 17 1HG2 ILE 17 -0.091 4.116 -4.071 101 HG22 ILE 17 2HG2 ILE 17 -1.203 5.136 -3.159 102 HG23 ILE 17 3HG2 ILE 17 -1.177 5.216 -4.920 103 HD11 ILE 17 1HD1 ILE 17 1.009 6.488 -1.246 104 HD12 ILE 17 2HD1 ILE 17 0.556 4.811 -1.550 105 HD13 ILE 17 3HD1 ILE 17 2.219 5.212 -1.124 106 H ARG 18 H ARG 18 -0.100 5.119 -7.189 107 HA ARG 18 HA ARG 18 -2.330 6.981 -7.654 108 HB2 ARG 18 1HB ARG 18 -0.880 5.479 -9.838 109 HB3 ARG 18 2HB ARG 18 -2.166 6.663 -10.037 110 HG2 ARG 18 1HG ARG 18 -0.777 8.448 -9.541 111 HG3 ARG 18 2HG ARG 18 0.400 7.429 -8.710 112 HD2 ARG 18 1HD ARG 18 0.772 6.336 -11.002 113 HD3 ARG 18 2HD ARG 18 -0.073 7.738 -11.657 114 HE ARG 18 HE ARG 18 1.807 8.898 -10.154 115 HH11 ARG 18 2HH1 ARG 18 1.989 6.308 -12.473 116 HH12 ARG 18 1HH1 ARG 18 3.613 6.677 -12.953 117 HH21 ARG 18 2HH2 ARG 18 3.945 9.394 -10.777 118 HH22 ARG 18 1HH2 ARG 18 4.724 8.432 -11.987 119 H GLN 19 H GLN 19 -4.268 6.023 -8.442 120 HA GLN 19 HA GLN 19 -4.544 3.230 -7.625 121 HB2 GLN 19 1HB GLN 19 -6.103 4.768 -6.602 122 HB3 GLN 19 2HB GLN 19 -6.598 5.375 -8.176 123 HG2 GLN 19 1HG GLN 19 -7.516 3.164 -8.720 124 HG3 GLN 19 2HG GLN 19 -7.059 2.597 -7.115 125 HE21 GLN 19 1HE2 GLN 19 -9.686 2.944 -8.518 126 HE22 GLN 19 2HE2 GLN 19 -10.649 3.863 -7.417 127 H GLU 20 H GLU 20 -4.278 1.769 -9.176 128 HA GLU 20 HA GLU 20 -4.652 2.393 -11.951 129 HB2 GLU 20 1HB GLU 20 -3.772 0.006 -10.394 130 HB3 GLU 20 2HB GLU 20 -4.326 -0.238 -12.044 131 HG2 GLU 20 1HG GLU 20 -2.209 1.768 -11.340 132 HG3 GLU 20 2HG GLU 20 -1.840 0.083 -11.701 133 H ARG 21 H ARG 21 -6.160 -0.040 -9.816 134 HA ARG 21 HA ARG 21 -8.764 0.513 -10.925 135 HB2 ARG 21 1HB ARG 21 -7.686 -2.284 -11.253 136 HB3 ARG 21 2HB ARG 21 -9.190 -1.624 -11.881 137 HG2 ARG 21 1HG ARG 21 -7.874 -0.133 -13.352 138 HG3 ARG 21 2HG ARG 21 -6.404 -0.922 -12.777 139 HD2 ARG 21 1HD ARG 21 -6.961 -1.966 -14.825 140 HD3 ARG 21 2HD ARG 21 -7.412 -3.100 -13.552 141 HE ARG 21 HE ARG 21 -9.632 -2.815 -14.109 142 HH11 ARG 21 2HH1 ARG 21 -7.664 -0.491 -15.795 143 HH12 ARG 21 1HH1 ARG 21 -8.938 0.012 -16.857 144 HH21 ARG 21 2HH2 ARG 21 -11.317 -2.162 -15.502 145 HH22 ARG 21 1HH2 ARG 21 -11.015 -0.939 -16.689 146 H ALA 22 H ALA 22 -10.111 0.449 -9.262 147 HA ALA 22 HA ALA 22 -9.425 -1.210 -6.940 148 HB1 ALA 22 1HB ALA 22 -10.026 0.540 -5.721 149 HB2 ALA 22 2HB ALA 22 -10.369 1.439 -7.199 150 HB3 ALA 22 3HB ALA 22 -11.644 0.501 -6.422 151 H GLY 23 H GLY 23 -10.273 -3.201 -7.244 152 HA2 GLY 23 1HA GLY 23 -12.761 -3.671 -8.561 153 HA3 GLY 23 2HA GLY 23 -11.820 -4.855 -7.666 154 H GLN 24 H GLN 24 -14.281 -5.326 -7.273 155 HA GLN 24 HA GLN 24 -15.705 -3.742 -5.430 156 HB2 GLN 24 1HB GLN 24 -16.554 -5.653 -6.933 157 HB3 GLN 24 2HB GLN 24 -16.004 -6.727 -5.654 158 HG2 GLN 24 1HG GLN 24 -17.443 -5.190 -4.123 159 HG3 GLN 24 2HG GLN 24 -18.231 -4.747 -5.637 160 HE21 GLN 24 1HE2 GLN 24 -20.135 -5.687 -4.682 161 HE22 GLN 24 2HE2 GLN 24 -20.372 -7.397 -4.752 162 H THR 25 H THR 25 -13.807 -6.716 -4.936 163 HA THR 25 HA THR 25 -13.620 -6.011 -2.079 164 HB THR 25 HB THR 25 -13.168 -8.424 -1.670 165 HG1 THR 25 1HG THR 25 -13.786 -9.844 -3.458 166 HG21 THR 25 1HG2 THR 25 -15.344 -8.308 -1.160 167 HG22 THR 25 2HG2 THR 25 -15.654 -8.992 -2.756 168 HG23 THR 25 3HG2 THR 25 -15.682 -7.244 -2.525 169 H SER 26 H SER 26 -11.905 -5.406 -4.585 170 HA SER 26 HA SER 26 -9.371 -5.730 -3.222 171 HB2 SER 26 1HB SER 26 -8.288 -6.726 -5.269 172 HB3 SER 26 2HB SER 26 -9.389 -7.811 -4.420 173 HG SER 26 HG SER 26 -9.682 -7.786 -6.721 174 H VAL 27 H VAL 27 -7.570 -4.716 -4.620 175 HA VAL 27 HA VAL 27 -8.363 -2.765 -6.562 176 HB VAL 27 HB VAL 27 -9.113 -1.494 -4.690 177 HG11 VAL 27 1HG1 VAL 27 -7.670 -2.907 -3.075 178 HG12 VAL 27 2HG1 VAL 27 -6.444 -1.667 -3.346 179 HG13 VAL 27 3HG1 VAL 27 -8.011 -1.226 -2.666 180 HG21 VAL 27 1HG2 VAL 27 -7.784 0.471 -4.871 181 HG22 VAL 27 2HG2 VAL 27 -6.350 -0.461 -5.303 182 HG23 VAL 27 3HG2 VAL 27 -7.703 -0.351 -6.429 183 H SER 28 H SER 28 -6.578 -1.674 -7.514 184 HA SER 28 HA SER 28 -3.970 -2.872 -6.838 185 HB2 SER 28 1HB SER 28 -4.978 -3.575 -9.045 186 HB3 SER 28 2HB SER 28 -4.823 -1.899 -9.572 187 HG SER 28 HG SER 28 -2.532 -2.143 -9.032 188 H LEU 29 H LEU 29 -2.171 -1.565 -6.782 189 HA LEU 29 HA LEU 29 -2.669 1.329 -7.028 190 HB2 LEU 29 1HB LEU 29 -0.776 -0.029 -5.117 191 HB3 LEU 29 2HB LEU 29 -1.102 1.699 -5.222 192 HG LEU 29 HG LEU 29 -3.032 -0.433 -4.309 193 HD11 LEU 29 1HD1 LEU 29 -2.781 0.469 -2.136 194 HD12 LEU 29 2HD1 LEU 29 -1.838 1.834 -2.733 195 HD13 LEU 29 3HD1 LEU 29 -1.153 0.209 -2.761 196 HD21 LEU 29 1HD2 LEU 29 -3.362 2.451 -4.972 197 HD22 LEU 29 2HD2 LEU 29 -4.264 1.784 -3.611 198 HD23 LEU 29 3HD2 LEU 29 -4.466 1.099 -5.225 199 H LEU 30 H LEU 30 -0.513 2.563 -7.221 200 HA LEU 30 HA LEU 30 1.590 1.140 -8.606 201 HB2 LEU 30 1HB LEU 30 -0.407 1.930 -10.188 202 HB3 LEU 30 2HB LEU 30 0.503 3.439 -10.130 203 HG LEU 30 HG LEU 30 2.487 2.232 -10.982 204 HD11 LEU 30 1HD1 LEU 30 0.566 -0.075 -11.262 205 HD12 LEU 30 2HD1 LEU 30 1.949 0.004 -10.172 206 HD13 LEU 30 3HD1 LEU 30 2.203 -0.011 -11.917 207 HD21 LEU 30 1HD2 LEU 30 1.051 3.424 -12.528 208 HD22 LEU 30 2HD2 LEU 30 -0.006 2.019 -12.668 209 HD23 LEU 30 3HD2 LEU 30 1.648 1.943 -13.277 210 H TRP 31 H TRP 31 3.254 1.884 -7.454 211 HA TRP 31 HA TRP 31 3.517 4.804 -7.147 212 HB2 TRP 31 1HB TRP 31 4.654 4.435 -5.016 213 HB3 TRP 31 2HB TRP 31 3.045 3.720 -4.985 214 HD1 TRP 31 HD TRP 31 6.721 2.821 -4.766 215 HE1 TRP 31 1HE TRP 31 6.946 0.331 -4.155 216 HE3 TRP 31 3HE TRP 31 1.834 1.414 -5.283 217 HZ2 TRP 31 2HZ TRP 31 5.273 -1.931 -3.923 218 HZ3 TRP 31 3HZ TRP 31 1.229 -0.932 -4.849 219 HH2 TRP 31 HH TRP 31 2.915 -2.568 -4.184 220 H GLN 32 H GLN 32 5.611 5.675 -7.316 221 HA GLN 32 HA GLN 32 7.440 4.002 -8.873 222 HB2 GLN 32 1HB GLN 32 8.359 5.989 -9.756 223 HB3 GLN 32 2HB GLN 32 6.622 6.261 -9.708 224 HG2 GLN 32 1HG GLN 32 6.769 7.775 -7.978 225 HG3 GLN 32 2HG GLN 32 8.325 7.153 -7.428 226 HE21 GLN 32 1HE2 GLN 32 8.779 9.505 -7.420 227 HE22 GLN 32 2HE2 GLN 32 9.377 10.216 -8.877 228 H GLU 33 H GLU 33 9.750 4.143 -8.477 229 HA GLU 33 HA GLU 33 10.485 3.554 -5.881 230 HB2 GLU 33 1HB GLU 33 11.980 4.345 -8.334 231 HB3 GLU 33 2HB GLU 33 12.850 4.349 -6.806 232 HG2 GLU 33 1HG GLU 33 12.742 2.085 -6.573 233 HG3 GLU 33 2HG GLU 33 11.248 1.949 -7.499 234 HA PRO 34 HA PRO 34 10.729 7.384 -3.737 235 HB2 PRO 34 1HB PRO 34 12.589 6.745 -1.866 236 HB3 PRO 34 2HB PRO 34 10.931 6.134 -1.821 237 HG2 PRO 34 1HG PRO 34 13.419 4.790 -2.803 238 HG3 PRO 34 2HG PRO 34 12.104 4.126 -1.816 239 HD2 PRO 34 1HD PRO 34 12.300 3.672 -4.479 240 HD3 PRO 34 2HD PRO 34 10.739 3.784 -3.641 241 H GLU 35 H GLU 35 11.838 9.261 -3.891 242 HA GLU 35 HA GLU 35 13.700 9.863 -5.697 243 HB2 GLU 35 1HB GLU 35 13.690 11.010 -2.900 244 HB3 GLU 35 2HB GLU 35 14.417 11.760 -4.314 245 HG2 GLU 35 1HG GLU 35 12.164 11.837 -5.357 246 HG3 GLU 35 2HG GLU 35 11.493 11.239 -3.841 247 H GLN 36 H GLN 36 14.366 8.354 -2.600 248 HA GLN 36 HA GLN 36 16.978 7.539 -3.566 249 HB2 GLN 36 1HB GLN 36 16.617 9.232 -1.093 250 HB3 GLN 36 2HB GLN 36 18.067 8.293 -1.419 251 HG2 GLN 36 1HG GLN 36 17.941 9.634 -3.710 252 HG3 GLN 36 2HG GLN 36 17.092 10.784 -2.679 253 HE21 GLN 36 1HE2 GLN 36 20.073 8.937 -3.001 254 HE22 GLN 36 2HE2 GLN 36 21.071 10.048 -2.132 255 HA PRO 37 HA PRO 37 15.061 4.078 -1.377 256 HB2 PRO 37 1HB PRO 37 16.570 2.188 -2.611 257 HB3 PRO 37 2HB PRO 37 15.139 2.912 -3.355 258 HG2 PRO 37 1HG PRO 37 18.030 3.565 -3.779 259 HG3 PRO 37 2HG PRO 37 16.732 3.404 -4.976 260 HD2 PRO 37 1HD PRO 37 17.603 5.809 -4.087 261 HD3 PRO 37 2HD PRO 37 15.918 5.521 -4.564 262 H ASN 38 H ASN 38 18.192 5.375 -1.347 263 HA ASN 38 HA ASN 38 20.006 5.133 0.009 264 HB2 ASN 38 1HB ASN 38 18.282 3.841 2.088 265 HB3 ASN 38 2HB ASN 38 19.543 5.056 2.280 266 HD21 ASN 38 1HD2 ASN 38 18.911 7.060 2.618 267 HD22 ASN 38 2HD2 ASN 38 17.343 7.700 2.280 268 H GLY 39 H GLY 39 19.604 3.015 -1.808 269 HA2 GLY 39 1HA GLY 39 21.294 1.189 -1.790 270 HA3 GLY 39 2HA GLY 39 20.618 0.727 -0.235 271 H ILE 40 H ILE 40 20.436 -1.383 -1.350 272 HA ILE 40 HA ILE 40 18.426 -1.632 -3.406 273 HB ILE 40 HB ILE 40 19.942 -3.724 -1.844 274 HG12 ILE 40 1HG1 ILE 40 20.769 -4.015 -4.373 275 HG13 ILE 40 2HG1 ILE 40 20.350 -2.306 -4.429 276 HG21 ILE 40 1HG2 ILE 40 17.531 -4.040 -3.211 277 HG22 ILE 40 2HG2 ILE 40 18.770 -4.646 -4.309 278 HG23 ILE 40 3HG2 ILE 40 18.632 -5.312 -2.682 279 HD11 ILE 40 1HD1 ILE 40 22.306 -3.616 -2.558 280 HD12 ILE 40 2HD1 ILE 40 22.681 -2.555 -3.916 281 HD13 ILE 40 3HD1 ILE 40 21.839 -1.916 -2.505 282 H ILE 41 H ILE 41 16.323 -2.013 -3.128 283 HA ILE 41 HA ILE 41 15.329 -2.378 -0.402 284 HB ILE 41 HB ILE 41 13.877 -1.653 -2.949 285 HG12 ILE 41 1HG1 ILE 41 14.284 0.035 -0.482 286 HG13 ILE 41 2HG1 ILE 41 15.422 0.047 -1.825 287 HG21 ILE 41 1HG2 ILE 41 11.991 -1.139 -1.321 288 HG22 ILE 41 2HG2 ILE 41 12.309 -2.839 -1.663 289 HG23 ILE 41 3HG2 ILE 41 12.877 -2.121 -0.156 290 HD11 ILE 41 1HD1 ILE 41 13.464 1.797 -1.641 291 HD12 ILE 41 2HD1 ILE 41 13.998 1.164 -3.199 292 HD13 ILE 41 3HD1 ILE 41 12.555 0.506 -2.427 293 H LEU 42 H LEU 42 14.596 -4.269 0.303 294 HA LEU 42 HA LEU 42 14.657 -6.595 -1.315 295 HB2 LEU 42 1HB LEU 42 13.344 -6.227 1.372 296 HB3 LEU 42 2HB LEU 42 13.807 -7.757 0.629 297 HG LEU 42 HG LEU 42 15.787 -5.626 1.416 298 HD11 LEU 42 1HD1 LEU 42 16.192 -6.791 3.436 299 HD12 LEU 42 2HD1 LEU 42 15.131 -8.119 2.966 300 HD13 LEU 42 3HD1 LEU 42 14.449 -6.538 3.345 301 HD21 LEU 42 1HD2 LEU 42 17.398 -7.026 0.711 302 HD22 LEU 42 2HD2 LEU 42 16.109 -7.717 -0.276 303 HD23 LEU 42 3HD2 LEU 42 16.539 -8.463 1.265 304 H GLU 43 H GLU 43 11.942 -4.847 0.199 305 HA GLU 43 HA GLU 43 10.247 -5.269 -2.053 306 HB2 GLU 43 1HB GLU 43 8.538 -6.635 -0.829 307 HB3 GLU 43 2HB GLU 43 10.017 -7.499 -1.223 308 HG2 GLU 43 1HG GLU 43 10.693 -6.695 1.208 309 HG3 GLU 43 2HG GLU 43 8.942 -6.676 1.411 310 H TYR 44 H TYR 44 7.992 -4.478 -1.604 311 HA TYR 44 HA TYR 44 8.130 -2.254 0.313 312 HB2 TYR 44 1HB TYR 44 6.641 -2.619 -2.277 313 HB3 TYR 44 2HB TYR 44 6.178 -1.374 -1.122 314 HD1 TYR 44 1HD TYR 44 8.903 -2.544 -3.328 315 HD2 TYR 44 2HD TYR 44 7.430 0.636 -0.916 316 HE1 TYR 44 1HE TYR 44 10.613 -1.047 -4.268 317 HE2 TYR 44 2HE TYR 44 9.135 2.142 -1.850 318 HH TYR 44 HH TYR 44 11.275 1.105 -4.454 319 H GLU 45 H GLU 45 6.558 -1.940 1.827 320 HA GLU 45 HA GLU 45 4.656 -4.151 2.175 321 HB2 GLU 45 1HB GLU 45 6.096 -2.339 4.047 322 HB3 GLU 45 2HB GLU 45 4.503 -2.906 4.527 323 HG2 GLU 45 1HG GLU 45 5.849 -4.505 5.455 324 HG3 GLU 45 2HG GLU 45 5.452 -5.248 3.906 325 H ILE 46 H ILE 46 2.503 -3.824 2.193 326 HA ILE 46 HA ILE 46 1.556 -1.045 1.922 327 HB ILE 46 HB ILE 46 0.310 -3.506 0.691 328 HG12 ILE 46 1HG1 ILE 46 1.501 -1.295 -0.923 329 HG13 ILE 46 2HG1 ILE 46 2.590 -2.469 -0.192 330 HG21 ILE 46 1HG2 ILE 46 -0.653 -0.829 1.158 331 HG22 ILE 46 2HG2 ILE 46 -0.616 -1.197 -0.566 332 HG23 ILE 46 3HG2 ILE 46 -1.511 -2.240 0.539 333 HD11 ILE 46 1HD1 ILE 46 0.328 -3.081 -2.078 334 HD12 ILE 46 2HD1 ILE 46 2.049 -3.094 -2.463 335 HD13 ILE 46 3HD1 ILE 46 1.390 -4.272 -1.329 336 H LYS 47 H LYS 47 0.676 -0.494 3.813 337 HA LYS 47 HA LYS 47 -0.954 -2.466 5.254 338 HB2 LYS 47 1HB LYS 47 0.659 -1.605 6.722 339 HB3 LYS 47 2HB LYS 47 0.487 0.031 6.099 340 HG2 LYS 47 1HG LYS 47 -1.817 0.063 7.086 341 HG3 LYS 47 2HG LYS 47 -1.425 -1.469 7.870 342 HD2 LYS 47 1HD LYS 47 0.144 -0.502 9.267 343 HD3 LYS 47 2HD LYS 47 0.410 0.869 8.188 344 HE2 LYS 47 1HE LYS 47 -2.262 0.490 9.466 345 HE3 LYS 47 2HE LYS 47 -0.937 1.173 10.408 346 HZ1 LYS 47 1HZ LYS 47 -2.371 2.303 8.124 347 HZ2 LYS 47 2HZ LYS 47 -0.729 2.680 8.280 348 HZ3 LYS 47 3HZ LYS 47 -1.807 3.061 9.528 349 H TYR 48 H TYR 48 -3.094 -2.312 5.207 350 HA TYR 48 HA TYR 48 -4.322 0.314 4.729 351 HB2 TYR 48 1HB TYR 48 -6.069 -0.978 3.350 352 HB3 TYR 48 2HB TYR 48 -4.513 -0.650 2.597 353 HD1 TYR 48 1HD TYR 48 -2.765 -2.515 2.619 354 HD2 TYR 48 2HD TYR 48 -6.871 -3.172 3.522 355 HE1 TYR 48 1HE TYR 48 -2.475 -4.915 2.165 356 HE2 TYR 48 2HE TYR 48 -6.592 -5.574 3.072 357 HH TYR 48 HH TYR 48 -4.956 -6.998 1.636 358 H TYR 49 H TYR 49 -5.999 0.775 6.023 359 HA TYR 49 HA TYR 49 -7.272 -1.418 7.511 360 HB2 TYR 49 1HB TYR 49 -7.267 -0.011 9.545 361 HB3 TYR 49 2HB TYR 49 -5.639 -0.414 9.009 362 HD1 TYR 49 1HD TYR 49 -8.196 2.287 8.660 363 HD2 TYR 49 2HD TYR 49 -4.067 1.278 8.861 364 HE1 TYR 49 1HE TYR 49 -7.617 4.678 8.647 365 HE2 TYR 49 2HE TYR 49 -3.477 3.666 8.850 366 HH TYR 49 HH TYR 49 -4.734 5.876 9.557 367 H GLU 50 H GLU 50 -9.289 -0.573 8.683 368 HA GLU 50 HA GLU 50 -11.062 0.467 6.753 369 HB2 GLU 50 1HB GLU 50 -11.233 -0.279 9.624 370 HB3 GLU 50 2HB GLU 50 -12.489 0.779 8.997 371 HG2 GLU 50 1HG GLU 50 -13.375 -0.827 7.655 372 HG3 GLU 50 2HG GLU 50 -11.835 -1.656 7.440 373 H LYS 51 H LYS 51 -10.734 2.483 6.009 374 HA LYS 51 HA LYS 51 -9.610 4.666 7.074 375 HB2 LYS 51 1HB LYS 51 -10.421 4.918 4.897 376 HB3 LYS 51 2HB LYS 51 -12.048 4.420 5.342 377 HG2 LYS 51 1HG LYS 51 -12.123 6.744 4.906 378 HG3 LYS 51 2HG LYS 51 -12.238 6.546 6.657 379 HD2 LYS 51 1HD LYS 51 -9.841 7.037 6.859 380 HD3 LYS 51 2HD LYS 51 -9.743 7.254 5.110 381 HE2 LYS 51 1HE LYS 51 -9.905 9.415 6.133 382 HE3 LYS 51 2HE LYS 51 -11.424 9.077 5.305 383 HZ1 LYS 51 1HZ LYS 51 -11.527 10.043 7.647 384 HZ2 LYS 51 2HZ LYS 51 -11.094 8.498 8.181 385 HZ3 LYS 51 3HZ LYS 51 -12.523 8.720 7.304 386 H ASP 52 H ASP 52 -12.981 3.714 7.663 387 HA ASP 52 HA ASP 52 -13.511 5.870 9.450 388 HB2 ASP 52 1HB ASP 52 -15.511 4.377 10.081 389 HB3 ASP 52 2HB ASP 52 -15.419 4.963 8.423 390 H LYS 53 H LYS 53 -12.668 2.458 9.887 391 HA LYS 53 HA LYS 53 -12.434 2.896 12.776 392 HB2 LYS 53 1HB LYS 53 -12.303 0.313 11.208 393 HB3 LYS 53 2HB LYS 53 -12.321 0.460 12.961 394 HG2 LYS 53 1HG LYS 53 -14.554 1.411 11.185 395 HG3 LYS 53 2HG LYS 53 -14.500 -0.186 11.935 396 HD2 LYS 53 1HD LYS 53 -14.750 0.672 14.076 397 HD3 LYS 53 2HD LYS 53 -14.183 2.276 13.607 398 HE2 LYS 53 1HE LYS 53 -16.719 1.147 12.480 399 HE3 LYS 53 2HE LYS 53 -16.701 1.923 14.063 400 HZ1 LYS 53 1HZ LYS 53 -15.907 3.157 11.482 401 HZ2 LYS 53 2HZ LYS 53 -15.748 3.905 12.990 402 HZ3 LYS 53 3HZ LYS 53 -17.284 3.522 12.394 403 H GLU 54 H GLU 54 -10.501 3.707 13.307 404 HA GLU 54 HA GLU 54 -8.111 2.838 11.880 405 HB2 GLU 54 1HB GLU 54 -8.712 5.281 12.586 406 HB3 GLU 54 2HB GLU 54 -8.097 4.788 14.157 407 HG2 GLU 54 1HG GLU 54 -6.054 3.965 12.701 408 HG3 GLU 54 2HG GLU 54 -6.659 5.198 11.597 409 H MET 55 H MET 55 -6.385 1.788 12.830 410 HA MET 55 HA MET 55 -5.392 0.246 14.178 411 HB2 MET 55 1HB MET 55 -6.396 2.355 16.012 412 HB3 MET 55 2HB MET 55 -5.859 0.851 16.748 413 HG2 MET 55 1HG MET 55 -4.167 2.401 14.815 414 HG3 MET 55 2HG MET 55 -4.149 2.695 16.552 415 HE1 MET 55 1HE MET 55 -3.655 -0.774 14.131 416 HE2 MET 55 2HE MET 55 -3.190 0.852 13.632 417 HE3 MET 55 3HE MET 55 -1.956 -0.300 14.146 418 H GLN 56 H GLN 56 -8.075 -0.339 13.251 419 HA GLN 56 HA GLN 56 -9.008 -2.070 15.445 420 HB2 GLN 56 1HB GLN 56 -10.570 -0.237 14.603 421 HB3 GLN 56 2HB GLN 56 -10.688 -1.163 13.113 422 HG2 GLN 56 1HG GLN 56 -11.570 -3.065 14.355 423 HG3 GLN 56 2HG GLN 56 -11.438 -2.150 15.856 424 HE21 GLN 56 1HE2 GLN 56 -13.204 -2.606 12.920 425 HE22 GLN 56 2HE2 GLN 56 -14.542 -1.588 13.318 426 H SER 57 H SER 57 -8.347 -1.848 11.994 427 HA SER 57 HA SER 57 -7.756 -4.667 11.890 428 HB2 SER 57 1HB SER 57 -10.081 -3.531 10.323 429 HB3 SER 57 2HB SER 57 -9.336 -5.094 9.988 430 HG SER 57 HG SER 57 -9.802 -5.450 12.364 431 H TYR 58 H TYR 58 -5.761 -4.367 11.083 432 HA TYR 58 HA TYR 58 -5.538 -2.897 8.539 433 HB2 TYR 58 1HB TYR 58 -3.545 -1.916 9.176 434 HB3 TYR 58 2HB TYR 58 -4.410 -1.940 10.709 435 HD1 TYR 58 2HD TYR 58 -3.823 -3.625 12.432 436 HD2 TYR 58 1HD TYR 58 -1.559 -3.202 8.854 437 HE1 TYR 58 2HE TYR 58 -1.974 -4.878 13.460 438 HE2 TYR 58 1HE TYR 58 0.296 -4.455 9.872 439 HH TYR 58 HH TYR 58 0.129 -6.386 12.241 440 H SER 59 H SER 59 -4.427 -3.854 6.898 441 HA SER 59 HA SER 59 -3.259 -6.505 7.438 442 HB2 SER 59 1HB SER 59 -4.802 -5.746 4.948 443 HB3 SER 59 2HB SER 59 -4.167 -7.340 5.357 444 HG SER 59 HG SER 59 -6.234 -5.915 6.679 445 H THR 60 H THR 60 -1.203 -6.671 6.862 446 HA THR 60 HA THR 60 -0.041 -4.615 5.137 447 HB THR 60 HB THR 60 1.560 -6.726 6.549 448 HG1 THR 60 1HG THR 60 0.317 -5.878 8.197 449 HG21 THR 60 1HG2 THR 60 2.057 -3.885 5.670 450 HG22 THR 60 2HG2 THR 60 2.824 -5.354 5.066 451 HG23 THR 60 3HG2 THR 60 3.165 -4.788 6.701 452 H LEU 61 H LEU 61 0.549 -5.003 3.103 453 HA LEU 61 HA LEU 61 0.547 -7.792 2.168 454 HB2 LEU 61 1HB LEU 61 -0.986 -5.863 1.227 455 HB3 LEU 61 2HB LEU 61 0.460 -5.478 0.295 456 HG LEU 61 HG LEU 61 0.409 -7.855 -0.548 457 HD11 LEU 61 1HD1 LEU 61 -0.969 -8.877 1.130 458 HD12 LEU 61 2HD1 LEU 61 -1.797 -8.982 -0.423 459 HD13 LEU 61 3HD1 LEU 61 -2.302 -7.781 0.765 460 HD21 LEU 61 1HD2 LEU 61 -1.403 -7.396 -2.165 461 HD22 LEU 61 2HD2 LEU 61 -0.315 -6.025 -1.943 462 HD23 LEU 61 3HD2 LEU 61 -1.904 -6.025 -1.176 463 H LYS 62 H LYS 62 2.252 -8.609 1.013 464 HA LYS 62 HA LYS 62 4.694 -6.971 1.024 465 HB2 LYS 62 1HB LYS 62 4.196 -9.918 1.267 466 HB3 LYS 62 2HB LYS 62 5.751 -9.340 0.684 467 HG2 LYS 62 1HG LYS 62 4.634 -8.238 3.219 468 HG3 LYS 62 2HG LYS 62 5.393 -9.831 3.214 469 HD2 LYS 62 1HD LYS 62 7.444 -8.892 2.339 470 HD3 LYS 62 2HD LYS 62 6.690 -7.302 2.200 471 HE2 LYS 62 1HE LYS 62 7.938 -7.194 4.179 472 HE3 LYS 62 2HE LYS 62 6.281 -7.469 4.714 473 HZ1 LYS 62 1HZ LYS 62 7.961 -9.816 4.268 474 HZ2 LYS 62 2HZ LYS 62 6.757 -9.554 5.426 475 HZ3 LYS 62 3HZ LYS 62 8.292 -8.875 5.634 476 H ALA 63 H ALA 63 5.320 -6.187 -0.866 477 HA ALA 63 HA ALA 63 4.820 -7.779 -3.293 478 HB1 ALA 63 1HB ALA 63 4.465 -5.644 -4.517 479 HB2 ALA 63 2HB ALA 63 3.219 -5.994 -3.318 480 HB3 ALA 63 3HB ALA 63 4.472 -4.804 -2.966 481 H VAL 64 H VAL 64 6.572 -8.153 -4.490 482 HA VAL 64 HA VAL 64 9.113 -7.070 -3.683 483 HB VAL 64 HB VAL 64 10.047 -8.485 -5.484 484 HG11 VAL 64 1HG1 VAL 64 8.631 -9.341 -3.154 485 HG12 VAL 64 2HG1 VAL 64 8.507 -10.582 -4.402 486 HG13 VAL 64 3HG1 VAL 64 10.092 -10.014 -3.876 487 HG21 VAL 64 1HG2 VAL 64 8.306 -8.370 -7.124 488 HG22 VAL 64 2HG2 VAL 64 8.494 -10.057 -6.644 489 HG23 VAL 64 3HG2 VAL 64 7.146 -9.107 -6.018 490 H THR 65 H THR 65 6.891 -6.662 -6.376 491 HA THR 65 HA THR 65 8.729 -4.789 -7.672 492 HB THR 65 HB THR 65 7.775 -6.329 -9.220 493 HG1 THR 65 1HG THR 65 7.823 -4.187 -9.995 494 HG21 THR 65 1HG2 THR 65 5.331 -6.566 -9.509 495 HG22 THR 65 2HG2 THR 65 5.085 -5.534 -8.100 496 HG23 THR 65 3HG2 THR 65 5.877 -7.099 -7.920 497 H THR 66 H THR 66 7.558 -2.833 -8.698 498 HA THR 66 HA THR 66 6.458 -1.295 -6.541 499 HB THR 66 HB THR 66 6.355 0.552 -8.192 500 HG1 THR 66 1HG THR 66 5.947 -0.679 -10.072 501 HG21 THR 66 1HG2 THR 66 8.990 -0.011 -8.878 502 HG22 THR 66 2HG2 THR 66 8.726 -0.906 -7.381 503 HG23 THR 66 3HG2 THR 66 8.437 0.832 -7.432 504 H ARG 67 H ARG 67 5.018 -3.575 -8.238 505 HA ARG 67 HA ARG 67 2.448 -2.141 -8.340 506 HB2 ARG 67 1HB ARG 67 3.239 -4.409 -10.170 507 HB3 ARG 67 2HB ARG 67 1.780 -3.431 -10.257 508 HG2 ARG 67 1HG ARG 67 3.138 -1.466 -10.802 509 HG3 ARG 67 2HG ARG 67 4.591 -2.466 -10.740 510 HD2 ARG 67 1HD ARG 67 4.147 -2.476 -12.994 511 HD3 ARG 67 2HD ARG 67 3.294 -3.929 -12.477 512 HE ARG 67 HE ARG 67 1.345 -2.142 -12.316 513 HH11 ARG 67 2HH1 ARG 67 3.734 -2.628 -14.802 514 HH12 ARG 67 1HH1 ARG 67 2.712 -2.052 -16.078 515 HH21 ARG 67 2HH2 ARG 67 -0.009 -1.383 -13.987 516 HH22 ARG 67 1HH2 ARG 67 0.584 -1.344 -15.613 517 H ALA 68 H ALA 68 0.800 -3.049 -7.259 518 HA ALA 68 HA ALA 68 0.897 -5.873 -6.543 519 HB1 ALA 68 1HB ALA 68 2.014 -4.996 -4.660 520 HB2 ALA 68 2HB ALA 68 0.894 -3.640 -4.530 521 HB3 ALA 68 3HB ALA 68 0.350 -5.273 -4.145 522 H THR 69 H THR 69 -1.152 -6.600 -5.526 523 HA THR 69 HA THR 69 -3.435 -4.915 -6.319 524 HB THR 69 HB THR 69 -3.094 -7.881 -6.779 525 HG1 THR 69 1HG THR 69 -3.645 -5.715 -8.553 526 HG21 THR 69 1HG2 THR 69 -5.558 -6.154 -6.916 527 HG22 THR 69 2HG2 THR 69 -5.325 -7.654 -6.017 528 HG23 THR 69 3HG2 THR 69 -5.420 -7.686 -7.778 529 H VAL 70 H VAL 70 -4.204 -4.274 -4.386 530 HA VAL 70 HA VAL 70 -4.138 -5.835 -2.024 531 HB VAL 70 HB VAL 70 -5.788 -3.405 -2.723 532 HG11 VAL 70 1HG1 VAL 70 -5.329 -3.971 0.105 533 HG12 VAL 70 2HG1 VAL 70 -6.799 -3.459 -0.727 534 HG13 VAL 70 3HG1 VAL 70 -6.348 -5.164 -0.700 535 HG21 VAL 70 1HG2 VAL 70 -4.070 -2.489 -0.947 536 HG22 VAL 70 2HG2 VAL 70 -3.104 -3.851 -1.515 537 HG23 VAL 70 3HG2 VAL 70 -3.639 -2.614 -2.653 538 H SER 71 H SER 71 -5.169 -7.747 -1.999 539 HA SER 71 HA SER 71 -7.980 -7.809 -2.879 540 HB2 SER 71 1HB SER 71 -6.682 -9.344 -4.193 541 HB3 SER 71 2HB SER 71 -5.911 -10.011 -2.754 542 HG SER 71 HG SER 71 -8.238 -10.517 -2.165 543 H GLY 72 H GLY 72 -9.448 -9.162 -1.637 544 HA2 GLY 72 1HA GLY 72 -10.220 -10.177 0.314 545 HA3 GLY 72 2HA GLY 72 -8.634 -9.946 1.034 546 H LEU 73 H LEU 73 -11.170 -7.800 -0.269 547 HA LEU 73 HA LEU 73 -11.107 -6.346 2.289 548 HB2 LEU 73 1HB LEU 73 -11.597 -4.972 -0.327 549 HB3 LEU 73 2HB LEU 73 -11.153 -4.267 1.225 550 HG LEU 73 HG LEU 73 -9.206 -6.070 -0.132 551 HD11 LEU 73 1HD1 LEU 73 -9.457 -3.159 -0.845 552 HD12 LEU 73 2HD1 LEU 73 -10.104 -4.457 -1.846 553 HD13 LEU 73 3HD1 LEU 73 -8.370 -4.362 -1.540 554 HD21 LEU 73 1HD2 LEU 73 -9.254 -4.081 1.999 555 HD22 LEU 73 2HD2 LEU 73 -7.923 -3.855 0.863 556 HD23 LEU 73 3HD2 LEU 73 -8.118 -5.397 1.699 557 H LYS 74 H LYS 74 -13.092 -4.724 2.268 558 HA LYS 74 HA LYS 74 -15.445 -6.375 1.665 559 HB2 LYS 74 1HB LYS 74 -15.007 -4.145 3.652 560 HB3 LYS 74 2HB LYS 74 -16.589 -4.835 3.314 561 HG2 LYS 74 1HG LYS 74 -16.118 -6.800 4.374 562 HG3 LYS 74 2HG LYS 74 -14.384 -6.679 4.063 563 HD2 LYS 74 1HD LYS 74 -14.644 -6.325 6.382 564 HD3 LYS 74 2HD LYS 74 -14.376 -4.726 5.684 565 HE2 LYS 74 1HE LYS 74 -17.154 -5.771 6.082 566 HE3 LYS 74 2HE LYS 74 -16.268 -5.052 7.426 567 HZ1 LYS 74 1HZ LYS 74 -16.553 -3.640 4.847 568 HZ2 LYS 74 2HZ LYS 74 -16.181 -2.998 6.367 569 HZ3 LYS 74 3HZ LYS 74 -17.750 -3.539 6.039 570 HA PRO 75 HA PRO 75 -16.700 -3.556 -1.483 571 HB2 PRO 75 1HB PRO 75 -19.337 -4.193 -1.569 572 HB3 PRO 75 2HB PRO 75 -18.074 -5.241 -2.226 573 HG2 PRO 75 1HG PRO 75 -19.501 -5.413 0.400 574 HG3 PRO 75 2HG PRO 75 -19.084 -6.711 -0.734 575 HD2 PRO 75 1HD PRO 75 -17.638 -6.207 1.499 576 HD3 PRO 75 2HD PRO 75 -16.905 -6.829 0.007 577 H GLY 76 H GLY 76 -17.385 -1.485 -1.572 578 HA2 GLY 76 1HA GLY 76 -18.243 0.534 -0.898 579 HA3 GLY 76 2HA GLY 76 -19.530 -0.389 -0.136 580 H THR 77 H THR 77 -16.037 -0.149 0.508 581 HA THR 77 HA THR 77 -16.592 1.076 3.094 582 HB THR 77 HB THR 77 -15.036 -1.508 2.870 583 HG1 THR 77 1HG THR 77 -17.669 -0.892 3.611 584 HG21 THR 77 1HG2 THR 77 -14.009 -0.399 4.620 585 HG22 THR 77 2HG2 THR 77 -15.298 -1.261 5.461 586 HG23 THR 77 3HG2 THR 77 -15.482 0.452 5.084 587 H ARG 78 H ARG 78 -15.339 2.823 3.030 588 HA ARG 78 HA ARG 78 -13.136 3.263 1.425 589 HB2 ARG 78 1HB ARG 78 -14.196 4.509 3.905 590 HB3 ARG 78 2HB ARG 78 -12.543 4.906 3.456 591 HG2 ARG 78 1HG ARG 78 -13.391 5.577 1.210 592 HG3 ARG 78 2HG ARG 78 -15.029 5.342 1.821 593 HD2 ARG 78 1HD ARG 78 -14.206 6.932 3.737 594 HD3 ARG 78 2HD ARG 78 -13.010 7.418 2.536 595 HE ARG 78 HE ARG 78 -15.884 7.514 1.921 596 HH11 ARG 78 2HH1 ARG 78 -12.785 9.067 2.237 597 HH12 ARG 78 1HH1 ARG 78 -13.308 10.550 1.510 598 HH21 ARG 78 2HH2 ARG 78 -16.585 9.461 0.962 599 HH22 ARG 78 1HH2 ARG 78 -15.470 10.773 0.786 600 H TYR 79 H TYR 79 -10.892 3.256 1.782 601 HA TYR 79 HA TYR 79 -9.877 1.899 4.152 602 HB2 TYR 79 1HB TYR 79 -9.757 0.792 1.371 603 HB3 TYR 79 2HB TYR 79 -8.437 0.472 2.489 604 HD1 TYR 79 2HD TYR 79 -9.142 -0.481 4.824 605 HD2 TYR 79 1HD TYR 79 -11.591 -0.627 1.348 606 HE1 TYR 79 2HE TYR 79 -10.421 -2.336 5.810 607 HE2 TYR 79 1HE TYR 79 -12.878 -2.481 2.325 608 HH TYR 79 HH TYR 79 -11.917 -3.989 5.352 609 H VAL 80 H VAL 80 -7.957 2.684 4.784 610 HA VAL 80 HA VAL 80 -6.703 4.718 3.100 611 HB VAL 80 HB VAL 80 -6.207 4.025 6.000 612 HG11 VAL 80 1HG1 VAL 80 -5.098 6.330 5.942 613 HG12 VAL 80 2HG1 VAL 80 -4.214 4.982 5.224 614 HG13 VAL 80 3HG1 VAL 80 -5.065 6.130 4.190 615 HG21 VAL 80 1HG2 VAL 80 -7.618 5.741 6.610 616 HG22 VAL 80 2HG2 VAL 80 -7.476 6.558 5.054 617 HG23 VAL 80 3HG2 VAL 80 -8.452 5.096 5.197 618 H PHE 81 H PHE 81 -5.251 3.911 1.719 619 HA PHE 81 HA PHE 81 -3.571 1.664 2.496 620 HB2 PHE 81 1HB PHE 81 -3.864 3.145 -0.123 621 HB3 PHE 81 2HB PHE 81 -2.782 1.778 0.126 622 HD1 PHE 81 1HD PHE 81 -3.773 -0.448 0.752 623 HD2 PHE 81 2HD PHE 81 -6.130 2.824 -0.611 624 HE1 PHE 81 1HE PHE 81 -5.606 -1.998 0.210 625 HE2 PHE 81 2HE PHE 81 -7.966 1.279 -1.155 626 HZ PHE 81 HZ PHE 81 -7.706 -1.135 -0.743 627 H GLN 82 H GLN 82 -1.269 1.721 2.323 628 HA GLN 82 HA GLN 82 0.076 4.256 2.045 629 HB2 GLN 82 1HB GLN 82 -0.313 2.953 4.712 630 HB3 GLN 82 2HB GLN 82 1.181 3.823 4.386 631 HG2 GLN 82 1HG GLN 82 -0.253 5.794 3.739 632 HG3 GLN 82 2HG GLN 82 -1.620 4.903 4.405 633 HE21 GLN 82 1HE2 GLN 82 0.560 7.217 5.079 634 HE22 GLN 82 2HE2 GLN 82 0.626 7.085 6.800 635 H VAL 83 H VAL 83 1.656 3.657 0.717 636 HA VAL 83 HA VAL 83 2.876 1.028 0.954 637 HB VAL 83 HB VAL 83 3.465 3.220 -1.039 638 HG11 VAL 83 1HG1 VAL 83 3.993 0.313 -1.471 639 HG12 VAL 83 2HG1 VAL 83 4.762 1.717 -2.213 640 HG13 VAL 83 3HG1 VAL 83 5.138 1.283 -0.545 641 HG21 VAL 83 1HG2 VAL 83 1.785 0.770 -1.504 642 HG22 VAL 83 2HG2 VAL 83 1.095 2.317 -1.013 643 HG23 VAL 83 3HG2 VAL 83 1.966 2.185 -2.541 644 H ARG 84 H ARG 84 5.009 0.633 1.446 645 HA ARG 84 HA ARG 84 6.728 2.893 2.137 646 HB2 ARG 84 1HB ARG 84 7.313 1.912 4.305 647 HB3 ARG 84 2HB ARG 84 5.600 2.302 4.225 648 HG2 ARG 84 1HG ARG 84 4.955 0.119 4.280 649 HG3 ARG 84 2HG ARG 84 6.430 -0.451 3.495 650 HD2 ARG 84 1HD ARG 84 6.279 -1.126 5.866 651 HD3 ARG 84 2HD ARG 84 7.689 -0.124 5.525 652 HE ARG 84 HE ARG 84 5.328 0.650 7.064 653 HH11 ARG 84 2HH1 ARG 84 8.442 1.470 5.739 654 HH12 ARG 84 1HH1 ARG 84 8.650 2.862 6.749 655 HH21 ARG 84 2HH2 ARG 84 5.591 2.480 8.400 656 HH22 ARG 84 1HH2 ARG 84 7.028 3.436 8.263 657 H ALA 85 H ALA 85 8.988 2.251 2.463 658 HA ALA 85 HA ALA 85 9.648 -0.097 0.815 659 HB1 ALA 85 1HB ALA 85 11.949 1.207 0.789 660 HB2 ALA 85 2HB ALA 85 10.635 1.622 -0.313 661 HB3 ALA 85 3HB ALA 85 10.898 2.578 1.145 662 H ARG 86 H ARG 86 11.142 -1.596 1.505 663 HA ARG 86 HA ARG 86 12.145 -1.293 4.256 664 HB2 ARG 86 1HB ARG 86 10.299 -2.814 4.397 665 HB3 ARG 86 2HB ARG 86 10.865 -3.718 2.998 666 HG2 ARG 86 1HG ARG 86 12.979 -4.118 4.480 667 HG3 ARG 86 2HG ARG 86 11.872 -3.734 5.800 668 HD2 ARG 86 1HD ARG 86 10.462 -5.545 5.283 669 HD3 ARG 86 2HD ARG 86 11.197 -5.768 3.696 670 HE ARG 86 HE ARG 86 12.902 -6.970 4.676 671 HH11 ARG 86 2HH1 ARG 86 10.961 -5.439 7.127 672 HH12 ARG 86 1HH1 ARG 86 11.682 -6.320 8.433 673 HH21 ARG 86 2HH2 ARG 86 13.859 -8.136 6.387 674 HH22 ARG 86 1HH2 ARG 86 13.331 -7.853 8.011 675 H THR 87 H THR 87 14.252 -1.696 4.520 676 HA THR 87 HA THR 87 15.684 -3.072 2.341 677 HB THR 87 HB THR 87 17.663 -1.619 2.961 678 HG1 THR 87 1HG THR 87 17.035 -0.762 4.913 679 HG21 THR 87 1HG2 THR 87 15.566 -1.173 1.208 680 HG22 THR 87 2HG2 THR 87 17.124 -0.347 1.200 681 HG23 THR 87 3HG2 THR 87 15.750 0.368 2.042 682 H SER 88 H SER 88 17.469 -4.352 2.919 683 HA SER 88 HA SER 88 17.290 -6.057 4.983 684 HB2 SER 88 1HB SER 88 18.970 -6.327 3.242 685 HB3 SER 88 2HB SER 88 19.871 -4.942 3.858 686 HG SER 88 HG SER 88 20.467 -7.242 4.505 687 H ALA 89 H ALA 89 19.027 -2.962 5.117 688 HA ALA 89 HA ALA 89 20.016 -3.121 7.703 689 HB1 ALA 89 1HB ALA 89 20.079 -1.245 5.743 690 HB2 ALA 89 2HB ALA 89 19.037 -0.464 6.933 691 HB3 ALA 89 3HB ALA 89 20.657 -0.992 7.390 692 H GLY 90 H GLY 90 17.087 -1.298 6.768 693 HA2 GLY 90 1HA GLY 90 15.628 -2.359 9.028 694 HA3 GLY 90 2HA GLY 90 16.064 -0.664 9.187 695 H CYS 91 H CYS 91 14.075 0.255 9.044 696 HA CYS 91 HA CYS 91 12.704 -0.040 6.461 697 HB2 CYS 91 1HB CYS 91 11.574 -0.306 9.212 698 HB3 CYS 91 2HB CYS 91 10.576 0.437 7.968 699 HG CYS 91 HG CYS 91 9.720 -1.773 7.005 700 H GLY 92 H GLY 92 11.330 1.802 5.895 701 HA2 GLY 92 1HA GLY 92 12.534 4.295 6.878 702 HA3 GLY 92 2HA GLY 92 11.696 4.094 5.346 703 H ARG 93 H ARG 93 9.832 5.135 5.276 704 HA ARG 93 HA ARG 93 8.114 5.113 7.660 705 HB2 ARG 93 1HB ARG 93 9.009 7.488 6.057 706 HB3 ARG 93 2HB ARG 93 7.460 7.510 6.888 707 HG2 ARG 93 1HG ARG 93 8.754 6.890 8.987 708 HG3 ARG 93 2HG ARG 93 10.206 7.303 8.072 709 HD2 ARG 93 1HD ARG 93 7.864 9.130 8.601 710 HD3 ARG 93 2HD ARG 93 9.426 9.190 9.418 711 HE ARG 93 HE ARG 93 10.212 9.508 6.924 712 HH11 ARG 93 2HH1 ARG 93 7.480 10.919 8.557 713 HH12 ARG 93 1HH1 ARG 93 7.489 12.364 7.602 714 HH21 ARG 93 2HH2 ARG 93 10.235 11.406 5.660 715 HH22 ARG 93 1HH2 ARG 93 9.056 12.640 5.953 716 H PHE 94 H PHE 94 5.851 5.449 7.213 717 HA PHE 94 HA PHE 94 5.019 4.109 4.825 718 HB2 PHE 94 1HB PHE 94 3.739 5.072 7.310 719 HB3 PHE 94 2HB PHE 94 2.696 5.002 5.894 720 HD1 PHE 94 1HD PHE 94 3.229 2.697 4.472 721 HD2 PHE 94 2HD PHE 94 3.557 3.254 8.679 722 HE1 PHE 94 1HE PHE 94 2.927 0.279 4.813 723 HE2 PHE 94 2HE PHE 94 3.256 0.837 9.026 724 HZ PHE 94 HZ PHE 94 2.941 -0.654 7.092 725 H SER 95 H SER 95 4.259 4.936 2.972 726 HA SER 95 HA SER 95 4.731 7.541 2.192 727 HB2 SER 95 1HB SER 95 3.119 7.057 0.309 728 HB3 SER 95 2HB SER 95 4.389 5.853 0.524 729 HG SER 95 HG SER 95 2.762 4.702 1.839 730 H GLN 96 H GLN 96 2.799 8.915 1.195 731 HA GLN 96 HA GLN 96 1.479 10.107 3.358 732 HB2 GLN 96 1HB GLN 96 0.230 11.380 1.645 733 HB3 GLN 96 2HB GLN 96 1.961 11.353 1.337 734 HG2 GLN 96 1HG GLN 96 1.716 9.782 -0.417 735 HG3 GLN 96 2HG GLN 96 0.035 9.469 0.011 736 HE21 GLN 96 1HE2 GLN 96 -0.875 10.036 -1.902 737 HE22 GLN 96 2HE2 GLN 96 -0.854 11.642 -2.540 738 H ALA 97 H ALA 97 -0.696 10.142 3.978 739 HA ALA 97 HA ALA 97 -2.017 7.660 3.974 740 HB1 ALA 97 1HB ALA 97 -3.300 8.594 5.545 741 HB2 ALA 97 2HB ALA 97 -2.241 9.998 5.398 742 HB3 ALA 97 3HB ALA 97 -3.757 9.938 4.498 743 H MET 98 H MET 98 -2.759 6.770 2.145 744 HA MET 98 HA MET 98 -4.092 8.445 0.156 745 HB2 MET 98 1HB MET 98 -2.445 6.954 -0.750 746 HB3 MET 98 2HB MET 98 -3.143 5.580 0.097 747 HG2 MET 98 1HG MET 98 -5.271 6.264 -1.321 748 HG3 MET 98 2HG MET 98 -4.035 6.943 -2.376 749 HE1 MET 98 1HE MET 98 -3.855 5.980 -4.210 750 HE2 MET 98 2HE MET 98 -3.156 4.396 -4.544 751 HE3 MET 98 3HE MET 98 -4.908 4.587 -4.461 752 H GLU 99 H GLU 99 -6.212 8.185 -0.463 753 HA GLU 99 HA GLU 99 -7.833 6.378 1.208 754 HB2 GLU 99 1HB GLU 99 -8.298 9.218 0.372 755 HB3 GLU 99 2HB GLU 99 -9.669 8.167 0.699 756 HG2 GLU 99 1HG GLU 99 -8.624 7.701 2.944 757 HG3 GLU 99 2HG GLU 99 -7.496 9.008 2.592 758 H VAL 100 H VAL 100 -8.926 4.883 0.129 759 HA VAL 100 HA VAL 100 -9.920 5.451 -2.557 760 HB VAL 100 HB VAL 100 -8.125 3.111 -1.911 761 HG11 VAL 100 1HG1 VAL 100 -8.585 2.240 -4.092 762 HG12 VAL 100 2HG1 VAL 100 -10.125 2.475 -3.263 763 HG13 VAL 100 3HG1 VAL 100 -9.597 3.628 -4.489 764 HG21 VAL 100 1HG2 VAL 100 -7.261 5.487 -2.591 765 HG22 VAL 100 2HG2 VAL 100 -6.557 4.041 -3.316 766 HG23 VAL 100 3HG2 VAL 100 -7.755 4.980 -4.207 767 H GLU 101 H GLU 101 -11.900 4.640 -2.880 768 HA GLU 101 HA GLU 101 -12.994 2.863 -0.820 769 HB2 GLU 101 1HB GLU 101 -14.017 5.168 -1.632 770 HB3 GLU 101 2HB GLU 101 -14.710 4.155 -2.890 771 HG2 GLU 101 1HG GLU 101 -15.500 2.671 -0.927 772 HG3 GLU 101 2HG GLU 101 -15.198 4.103 0.055 773 H THR 102 H THR 102 -13.227 0.784 -1.260 774 HA THR 102 HA THR 102 -12.588 -0.456 -3.643 775 HB THR 102 HB THR 102 -14.066 -2.378 -2.753 776 HG1 THR 102 1HG THR 102 -14.532 -2.059 -0.465 777 HG21 THR 102 1HG2 THR 102 -12.054 -1.533 -0.716 778 HG22 THR 102 2HG2 THR 102 -11.521 -1.845 -2.368 779 HG23 THR 102 3HG2 THR 102 -12.321 -3.116 -1.443 780 H GLY 103 H GLY 103 -14.341 -2.047 -4.700 781 HA2 GLY 103 1HA GLY 103 -16.125 -0.290 -6.123 782 HA3 GLY 103 2HA GLY 103 -15.891 -2.006 -6.420 783 H LYS 104 H LYS 104 -17.961 0.336 -5.176 784 HA LYS 104 HA LYS 104 -19.330 -0.962 -3.140 785 HB2 LYS 104 1HB LYS 104 -20.278 0.979 -5.245 786 HB3 LYS 104 2HB LYS 104 -21.322 0.408 -3.950 787 HG2 LYS 104 1HG LYS 104 -19.343 1.221 -2.429 788 HG3 LYS 104 2HG LYS 104 -18.971 2.225 -3.833 789 HD2 LYS 104 1HD LYS 104 -21.441 2.906 -3.760 790 HD3 LYS 104 2HD LYS 104 -21.453 2.206 -2.140 791 HE2 LYS 104 1HE LYS 104 -19.986 3.793 -1.305 792 HE3 LYS 104 2HE LYS 104 -19.350 4.192 -2.901 793 HZ1 LYS 104 1HZ LYS 104 -22.175 4.735 -2.455 794 HZ2 LYS 104 2HZ LYS 104 -21.021 5.631 -3.307 795 HZ3 LYS 104 3HZ LYS 104 -21.084 5.721 -1.619 796 HA PRO 105 HA PRO 105 -21.433 -4.342 -4.998 797 HB2 PRO 105 1HB PRO 105 -23.644 -4.469 -3.428 798 HB3 PRO 105 2HB PRO 105 -22.041 -4.962 -2.871 799 HG2 PRO 105 1HG PRO 105 -23.503 -2.393 -2.399 800 HG3 PRO 105 2HG PRO 105 -22.558 -3.369 -1.258 801 HD2 PRO 105 1HD PRO 105 -21.568 -1.143 -2.440 802 HD3 PRO 105 2HD PRO 105 -20.548 -2.531 -2.014 803 H SER 106 H SER 106 -21.894 -3.338 -7.031 804 HA SER 106 HA SER 106 -24.739 -2.733 -7.356 805 HB2 SER 106 1HB SER 106 -22.495 -1.002 -8.420 806 HB3 SER 106 2HB SER 106 -24.187 -0.845 -8.891 807 HG SER 106 HG SER 106 -22.937 -0.209 -6.474 808 H GLY 107 H GLY 107 -25.377 -2.752 -9.699 809 HA2 GLY 107 1HA GLY 107 -23.699 -4.672 -11.195 810 HA3 GLY 107 2HA GLY 107 -25.451 -4.800 -11.128 811 HA PRO 108 HA PRO 108 -23.943 -2.195 -14.799 812 HB2 PRO 108 1HB PRO 108 -24.515 -3.973 -16.770 813 HB3 PRO 108 2HB PRO 108 -22.943 -3.904 -15.965 814 HG2 PRO 108 1HG PRO 108 -25.241 -5.759 -15.476 815 HG3 PRO 108 2HG PRO 108 -23.507 -6.123 -15.562 816 HD2 PRO 108 1HD PRO 108 -24.828 -5.869 -13.212 817 HD3 PRO 108 2HD PRO 108 -23.123 -5.413 -13.403 818 H SER 109 H SER 109 -26.668 -3.424 -13.450 819 HA SER 109 HA SER 109 -28.761 -3.481 -15.095 820 HB2 SER 109 1HB SER 109 -28.927 -3.452 -12.616 821 HB3 SER 109 2HB SER 109 -28.696 -1.704 -12.644 822 HG SER 109 HG SER 109 -30.933 -2.463 -12.567 823 H SER 110 H SER 110 -27.040 -0.515 -14.222 824 HA SER 110 HA SER 110 -28.514 0.886 -16.355 825 HB2 SER 110 1HB SER 110 -28.947 1.881 -14.177 826 HB3 SER 110 2HB SER 110 -27.217 2.011 -13.860 827 HG SER 110 HG SER 110 -27.554 3.221 -16.125 828 H GLY 111 H GLY 111 -27.395 1.571 -18.064 829 HA2 GLY 111 1HA GLY 111 -25.499 2.673 -19.040 830 HA3 GLY 111 2HA GLY 111 -24.491 1.967 -17.786 Start of MODEL 18 1 H1 GLY 1 H GLY 1 38.400 1.318 14.014 2 HA2 GLY 1 1HA GLY 1 36.189 1.196 13.406 3 HA3 GLY 1 2HA GLY 1 35.841 0.805 15.084 4 H SER 2 H SER 2 35.977 3.308 12.685 5 HA SER 2 HA SER 2 35.575 5.544 14.344 6 HB2 SER 2 1HB SER 2 36.243 5.962 12.104 7 HB3 SER 2 2HB SER 2 34.909 5.012 11.449 8 HG SER 2 HG SER 2 34.667 7.374 11.410 9 H SER 3 H SER 3 33.194 3.726 12.406 10 HA SER 3 HA SER 3 31.123 4.617 14.306 11 HB2 SER 3 1HB SER 3 29.512 4.407 12.408 12 HB3 SER 3 2HB SER 3 30.740 5.645 12.146 13 HG SER 3 HG SER 3 31.899 3.833 11.019 14 H GLY 4 H GLY 4 29.313 3.132 14.607 15 HA2 GLY 4 1HA GLY 4 30.061 0.319 14.110 16 HA3 GLY 4 2HA GLY 4 29.482 0.850 15.682 17 H SER 5 H SER 5 27.325 1.017 16.047 18 HA SER 5 HA SER 5 25.503 -0.463 14.681 19 HB2 SER 5 1HB SER 5 25.076 2.050 16.301 20 HB3 SER 5 2HB SER 5 23.740 1.072 15.693 21 HG SER 5 HG SER 5 25.048 -0.712 16.796 22 H SER 6 H SER 6 26.205 2.973 14.156 23 HA SER 6 HA SER 6 24.259 3.525 12.249 24 HB2 SER 6 1HB SER 6 27.043 4.649 12.599 25 HB3 SER 6 2HB SER 6 25.878 5.300 11.447 26 HG SER 6 HG SER 6 24.873 6.244 13.030 27 H GLY 7 H GLY 7 24.244 3.519 9.987 28 HA2 GLY 7 1HA GLY 7 26.430 2.356 8.505 29 HA3 GLY 7 2HA GLY 7 25.035 1.298 8.646 30 H GLN 8 H GLN 8 24.033 1.299 6.742 31 HA GLN 8 HA GLN 8 24.067 3.523 4.961 32 HB2 GLN 8 1HB GLN 8 22.367 1.023 4.916 33 HB3 GLN 8 2HB GLN 8 22.532 2.166 3.589 34 HG2 GLN 8 1HG GLN 8 25.012 1.665 3.650 35 HG3 GLN 8 2HG GLN 8 24.610 0.320 4.717 36 HE21 GLN 8 1HE2 GLN 8 25.527 0.789 1.770 37 HE22 GLN 8 2HE2 GLN 8 24.577 -0.361 0.899 38 H ALA 9 H ALA 9 22.817 5.261 5.003 39 HA ALA 9 HA ALA 9 20.833 5.740 6.899 40 HB1 ALA 9 1HB ALA 9 20.661 7.207 4.332 41 HB2 ALA 9 2HB ALA 9 20.667 7.813 5.989 42 HB3 ALA 9 3HB ALA 9 22.177 7.316 5.226 43 H ALA 10 H ALA 10 18.545 6.034 6.650 44 HA ALA 10 HA ALA 10 17.264 3.860 5.384 45 HB1 ALA 10 1HB ALA 10 16.319 4.822 7.370 46 HB2 ALA 10 2HB ALA 10 16.128 6.385 6.575 47 HB3 ALA 10 3HB ALA 10 15.164 5.005 6.050 48 HA PRO 11 HA PRO 11 16.457 5.306 1.317 49 HB2 PRO 11 1HB PRO 11 14.058 4.137 0.818 50 HB3 PRO 11 2HB PRO 11 15.573 3.229 0.887 51 HG2 PRO 11 1HG PRO 11 13.461 3.549 2.984 52 HG3 PRO 11 2HG PRO 11 14.345 2.091 2.500 53 HD2 PRO 11 1HD PRO 11 14.993 3.524 4.704 54 HD3 PRO 11 2HD PRO 11 16.204 2.654 3.741 55 H SER 12 H SER 12 14.392 6.120 -0.014 56 HA SER 12 HA SER 12 13.469 8.473 1.434 57 HB2 SER 12 1HB SER 12 14.481 8.544 -0.913 58 HB3 SER 12 2HB SER 12 12.963 7.844 -1.474 59 HG SER 12 HG SER 12 13.409 10.344 -1.189 60 H GLN 13 H GLN 13 11.437 8.797 2.103 61 HA GLN 13 HA GLN 13 9.599 6.714 2.310 62 HB2 GLN 13 1HB GLN 13 9.796 9.058 3.528 63 HB3 GLN 13 2HB GLN 13 8.618 9.533 2.312 64 HG2 GLN 13 1HG GLN 13 6.974 8.212 3.182 65 HG3 GLN 13 2HG GLN 13 8.113 7.057 3.871 66 HE21 GLN 13 1HE2 GLN 13 5.823 9.022 4.780 67 HE22 GLN 13 2HE2 GLN 13 6.445 9.625 6.275 68 H VAL 14 H VAL 14 8.685 5.713 0.638 69 HA VAL 14 HA VAL 14 8.335 6.661 -1.930 70 HB VAL 14 HB VAL 14 6.729 4.593 -0.431 71 HG11 VAL 14 1HG1 VAL 14 6.256 3.847 -2.892 72 HG12 VAL 14 2HG1 VAL 14 5.257 5.087 -2.132 73 HG13 VAL 14 3HG1 VAL 14 6.539 5.550 -3.251 74 HG21 VAL 14 1HG2 VAL 14 9.184 4.562 -2.120 75 HG22 VAL 14 2HG2 VAL 14 8.837 3.702 -0.620 76 HG23 VAL 14 3HG2 VAL 14 8.119 3.157 -2.136 77 H VAL 15 H VAL 15 7.405 8.601 -2.293 78 HA VAL 15 HA VAL 15 4.804 9.178 -1.065 79 HB VAL 15 HB VAL 15 7.040 10.791 -1.538 80 HG11 VAL 15 1HG1 VAL 15 6.387 12.471 -3.066 81 HG12 VAL 15 2HG1 VAL 15 6.135 10.935 -3.898 82 HG13 VAL 15 3HG1 VAL 15 4.761 11.807 -3.218 83 HG21 VAL 15 1HG2 VAL 15 5.318 12.608 -0.803 84 HG22 VAL 15 2HG2 VAL 15 4.235 11.230 -0.606 85 HG23 VAL 15 3HG2 VAL 15 5.745 11.302 0.303 86 H VAL 16 H VAL 16 5.977 7.805 -3.814 87 HA VAL 16 HA VAL 16 4.028 8.986 -5.635 88 HB VAL 16 HB VAL 16 6.003 6.770 -6.189 89 HG11 VAL 16 1HG1 VAL 16 4.694 6.588 -8.009 90 HG12 VAL 16 2HG1 VAL 16 3.974 8.182 -7.778 91 HG13 VAL 16 3HG1 VAL 16 5.556 8.029 -8.545 92 HG21 VAL 16 1HG2 VAL 16 6.257 9.754 -6.489 93 HG22 VAL 16 2HG2 VAL 16 7.289 8.666 -5.561 94 HG23 VAL 16 3HG2 VAL 16 7.304 8.607 -7.323 95 H ILE 17 H ILE 17 2.012 8.264 -5.285 96 HA ILE 17 HA ILE 17 1.551 5.385 -5.503 97 HB ILE 17 HB ILE 17 0.582 7.113 -3.241 98 HG12 ILE 17 1HG1 ILE 17 1.737 4.320 -3.243 99 HG13 ILE 17 2HG1 ILE 17 2.710 5.775 -3.055 100 HG21 ILE 17 1HG2 ILE 17 -0.640 4.596 -4.331 101 HG22 ILE 17 2HG2 ILE 17 -0.857 5.095 -2.654 102 HG23 ILE 17 3HG2 ILE 17 -1.425 6.131 -3.963 103 HD11 ILE 17 1HD1 ILE 17 1.110 6.291 -1.091 104 HD12 ILE 17 2HD1 ILE 17 0.729 4.571 -1.180 105 HD13 ILE 17 3HD1 ILE 17 2.386 5.093 -0.881 106 H ARG 18 H ARG 18 0.048 4.995 -6.982 107 HA ARG 18 HA ARG 18 -2.091 6.967 -7.397 108 HB2 ARG 18 1HB ARG 18 -0.757 5.533 -9.686 109 HB3 ARG 18 2HB ARG 18 -1.870 6.892 -9.757 110 HG2 ARG 18 1HG ARG 18 -0.238 8.403 -8.987 111 HG3 ARG 18 2HG ARG 18 0.837 7.099 -8.479 112 HD2 ARG 18 1HD ARG 18 1.803 7.788 -10.463 113 HD3 ARG 18 2HD ARG 18 0.802 6.434 -10.984 114 HE ARG 18 HE ARG 18 -0.601 7.913 -12.086 115 HH11 ARG 18 2HH1 ARG 18 1.796 9.630 -10.234 116 HH12 ARG 18 1HH1 ARG 18 1.476 11.156 -10.989 117 HH21 ARG 18 2HH2 ARG 18 -1.032 9.917 -13.088 118 HH22 ARG 18 1HH2 ARG 18 -0.133 11.318 -12.612 119 H GLN 19 H GLN 19 -3.980 6.079 -8.524 120 HA GLN 19 HA GLN 19 -4.363 3.251 -7.822 121 HB2 GLN 19 1HB GLN 19 -5.881 4.748 -6.671 122 HB3 GLN 19 2HB GLN 19 -6.367 5.482 -8.194 123 HG2 GLN 19 1HG GLN 19 -7.254 3.251 -8.889 124 HG3 GLN 19 2HG GLN 19 -6.933 2.685 -7.250 125 HE21 GLN 19 1HE2 GLN 19 -8.346 5.615 -8.677 126 HE22 GLN 19 2HE2 GLN 19 -9.785 5.591 -7.721 127 H GLU 20 H GLU 20 -3.878 2.056 -9.572 128 HA GLU 20 HA GLU 20 -4.261 2.876 -12.247 129 HB2 GLU 20 1HB GLU 20 -3.547 0.336 -10.876 130 HB3 GLU 20 2HB GLU 20 -4.127 0.222 -12.531 131 HG2 GLU 20 1HG GLU 20 -1.864 2.013 -11.695 132 HG3 GLU 20 2HG GLU 20 -1.641 0.356 -12.256 133 H ARG 21 H ARG 21 -6.005 0.397 -10.362 134 HA ARG 21 HA ARG 21 -8.464 1.128 -11.765 135 HB2 ARG 21 1HB ARG 21 -7.446 -1.712 -11.559 136 HB3 ARG 21 2HB ARG 21 -9.004 -1.225 -12.214 137 HG2 ARG 21 1HG ARG 21 -6.562 -0.039 -13.411 138 HG3 ARG 21 2HG ARG 21 -6.930 -1.728 -13.764 139 HD2 ARG 21 1HD ARG 21 -9.126 0.258 -14.003 140 HD3 ARG 21 2HD ARG 21 -7.874 0.261 -15.244 141 HE ARG 21 HE ARG 21 -8.910 -2.355 -14.734 142 HH11 ARG 21 2HH1 ARG 21 -9.473 0.623 -16.447 143 HH12 ARG 21 1HH1 ARG 21 -10.429 -0.120 -17.687 144 HH21 ARG 21 2HH2 ARG 21 -10.167 -3.344 -16.360 145 HH22 ARG 21 1HH2 ARG 21 -10.824 -2.376 -17.636 146 H ALA 22 H ALA 22 -10.382 -0.058 -10.772 147 HA ALA 22 HA ALA 22 -10.024 -0.861 -8.005 148 HB1 ALA 22 1HB ALA 22 -12.003 1.323 -8.431 149 HB2 ALA 22 2HB ALA 22 -11.125 0.862 -6.972 150 HB3 ALA 22 3HB ALA 22 -10.298 1.739 -8.259 151 H GLY 23 H GLY 23 -11.305 -2.548 -7.655 152 HA2 GLY 23 1HA GLY 23 -13.653 -2.903 -9.396 153 HA3 GLY 23 2HA GLY 23 -12.800 -4.194 -8.563 154 H GLN 24 H GLN 24 -14.617 -5.022 -7.558 155 HA GLN 24 HA GLN 24 -16.215 -3.277 -5.867 156 HB2 GLN 24 1HB GLN 24 -16.990 -5.323 -7.362 157 HB3 GLN 24 2HB GLN 24 -16.588 -6.236 -5.913 158 HG2 GLN 24 1HG GLN 24 -18.081 -4.590 -4.667 159 HG3 GLN 24 2HG GLN 24 -18.659 -4.099 -6.258 160 HE21 GLN 24 1HE2 GLN 24 -19.172 -6.140 -3.708 161 HE22 GLN 24 2HE2 GLN 24 -20.177 -7.311 -4.484 162 H THR 25 H THR 25 -14.297 -6.253 -5.466 163 HA THR 25 HA THR 25 -13.929 -5.516 -2.634 164 HB THR 25 HB THR 25 -13.585 -7.931 -2.177 165 HG1 THR 25 1HG THR 25 -14.652 -9.187 -4.106 166 HG21 THR 25 1HG2 THR 25 -15.729 -7.382 -1.589 167 HG22 THR 25 2HG2 THR 25 -16.071 -8.560 -2.857 168 HG23 THR 25 3HG2 THR 25 -16.149 -6.835 -3.211 169 H SER 26 H SER 26 -12.347 -5.000 -5.217 170 HA SER 26 HA SER 26 -9.750 -5.686 -4.059 171 HB2 SER 26 1HB SER 26 -8.862 -6.512 -6.145 172 HB3 SER 26 2HB SER 26 -10.327 -7.421 -5.776 173 HG SER 26 HG SER 26 -9.811 -5.641 -7.828 174 H VAL 27 H VAL 27 -7.972 -4.423 -4.997 175 HA VAL 27 HA VAL 27 -8.660 -2.093 -6.568 176 HB VAL 27 HB VAL 27 -7.696 -1.781 -3.722 177 HG11 VAL 27 1HG1 VAL 27 -7.857 0.137 -6.016 178 HG12 VAL 27 2HG1 VAL 27 -7.995 0.705 -4.351 179 HG13 VAL 27 3HG1 VAL 27 -6.536 -0.133 -4.880 180 HG21 VAL 27 1HG2 VAL 27 -10.086 -2.177 -3.859 181 HG22 VAL 27 2HG2 VAL 27 -9.776 -0.495 -3.426 182 HG23 VAL 27 3HG2 VAL 27 -10.249 -0.908 -5.074 183 H SER 28 H SER 28 -6.982 -1.468 -7.787 184 HA SER 28 HA SER 28 -4.407 -2.778 -7.324 185 HB2 SER 28 1HB SER 28 -5.322 -3.077 -9.546 186 HB3 SER 28 2HB SER 28 -5.517 -1.335 -9.743 187 HG SER 28 HG SER 28 -3.137 -1.289 -9.398 188 H LEU 29 H LEU 29 -2.566 -1.701 -6.868 189 HA LEU 29 HA LEU 29 -2.714 1.239 -6.732 190 HB2 LEU 29 1HB LEU 29 -1.566 -0.749 -4.810 191 HB3 LEU 29 2HB LEU 29 -0.960 0.905 -4.861 192 HG LEU 29 HG LEU 29 -3.807 0.097 -4.271 193 HD11 LEU 29 1HD1 LEU 29 -1.847 -0.328 -2.576 194 HD12 LEU 29 2HD1 LEU 29 -3.383 0.349 -2.037 195 HD13 LEU 29 3HD1 LEU 29 -1.998 1.408 -2.304 196 HD21 LEU 29 1HD2 LEU 29 -3.308 2.707 -3.424 197 HD22 LEU 29 2HD2 LEU 29 -4.308 2.199 -4.786 198 HD23 LEU 29 3HD2 LEU 29 -2.610 2.603 -5.040 199 H LEU 30 H LEU 30 -0.987 2.398 -7.474 200 HA LEU 30 HA LEU 30 1.301 0.875 -8.528 201 HB2 LEU 30 1HB LEU 30 -0.535 1.827 -10.172 202 HB3 LEU 30 2HB LEU 30 0.370 3.322 -9.942 203 HG LEU 30 HG LEU 30 2.406 2.162 -10.749 204 HD11 LEU 30 1HD1 LEU 30 0.472 -0.094 -11.237 205 HD12 LEU 30 2HD1 LEU 30 1.901 -0.111 -10.204 206 HD13 LEU 30 3HD1 LEU 30 2.080 0.009 -11.954 207 HD21 LEU 30 1HD2 LEU 30 -0.039 2.436 -12.447 208 HD22 LEU 30 2HD2 LEU 30 1.461 1.828 -13.149 209 HD23 LEU 30 3HD2 LEU 30 1.419 3.429 -12.409 210 H TRP 31 H TRP 31 2.985 1.451 -7.322 211 HA TRP 31 HA TRP 31 3.357 4.316 -6.738 212 HB2 TRP 31 1HB TRP 31 4.470 3.702 -4.661 213 HB3 TRP 31 2HB TRP 31 2.855 3.001 -4.705 214 HD1 TRP 31 HD TRP 31 6.541 2.036 -4.717 215 HE1 TRP 31 1HE TRP 31 6.738 -0.501 -4.329 216 HE3 TRP 31 3HE TRP 31 1.599 0.774 -5.072 217 HZ2 TRP 31 2HZ TRP 31 5.025 -2.741 -4.192 218 HZ3 TRP 31 3HZ TRP 31 0.963 -1.587 -4.801 219 HH2 TRP 31 HH TRP 31 2.642 -3.307 -4.371 220 H GLN 32 H GLN 32 5.409 5.177 -6.977 221 HA GLN 32 HA GLN 32 7.206 3.595 -8.648 222 HB2 GLN 32 1HB GLN 32 7.011 6.544 -8.056 223 HB3 GLN 32 2HB GLN 32 8.365 5.847 -8.936 224 HG2 GLN 32 1HG GLN 32 6.484 4.836 -10.440 225 HG3 GLN 32 2HG GLN 32 5.520 6.145 -9.758 226 HE21 GLN 32 1HE2 GLN 32 8.885 5.858 -10.849 227 HE22 GLN 32 2HE2 GLN 32 8.831 7.208 -11.926 228 H GLU 33 H GLU 33 9.557 3.781 -8.289 229 HA GLU 33 HA GLU 33 10.291 2.928 -5.738 230 HB2 GLU 33 1HB GLU 33 11.779 3.837 -8.156 231 HB3 GLU 33 2HB GLU 33 12.667 3.696 -6.645 232 HG2 GLU 33 1HG GLU 33 12.428 1.418 -6.553 233 HG3 GLU 33 2HG GLU 33 10.968 1.422 -7.540 234 HA PRO 34 HA PRO 34 10.947 6.514 -3.300 235 HB2 PRO 34 1HB PRO 34 13.219 5.898 -1.948 236 HB3 PRO 34 2HB PRO 34 11.665 5.124 -1.617 237 HG2 PRO 34 1HG PRO 34 13.970 4.126 -3.246 238 HG3 PRO 34 2HG PRO 34 12.961 3.250 -2.080 239 HD2 PRO 34 1HD PRO 34 12.597 3.056 -4.756 240 HD3 PRO 34 2HD PRO 34 11.256 2.938 -3.599 241 H GLU 35 H GLU 35 11.560 8.448 -4.019 242 HA GLU 35 HA GLU 35 13.187 9.189 -5.979 243 HB2 GLU 35 1HB GLU 35 12.957 10.564 -3.300 244 HB3 GLU 35 2HB GLU 35 13.696 11.301 -4.715 245 HG2 GLU 35 1HG GLU 35 11.420 10.722 -5.849 246 HG3 GLU 35 2HG GLU 35 10.836 10.663 -4.187 247 H GLN 36 H GLN 36 14.293 8.197 -2.796 248 HA GLN 36 HA GLN 36 16.965 7.794 -3.871 249 HB2 GLN 36 1HB GLN 36 16.318 9.698 -1.641 250 HB3 GLN 36 2HB GLN 36 17.877 8.888 -1.701 251 HG2 GLN 36 1HG GLN 36 17.841 9.813 -4.182 252 HG3 GLN 36 2HG GLN 36 16.765 11.002 -3.450 253 HE21 GLN 36 1HE2 GLN 36 18.802 12.194 -4.338 254 HE22 GLN 36 2HE2 GLN 36 20.017 12.520 -3.154 255 HA PRO 37 HA PRO 37 15.878 4.220 -1.326 256 HB2 PRO 37 1HB PRO 37 17.682 2.568 -2.503 257 HB3 PRO 37 2HB PRO 37 16.106 2.931 -3.215 258 HG2 PRO 37 1HG PRO 37 18.786 4.103 -3.850 259 HG3 PRO 37 2HG PRO 37 17.499 3.590 -4.956 260 HD2 PRO 37 1HD PRO 37 17.906 6.185 -4.297 261 HD3 PRO 37 2HD PRO 37 16.294 5.532 -4.654 262 H ASN 38 H ASN 38 19.107 5.470 -2.046 263 HA ASN 38 HA ASN 38 21.018 5.596 -0.818 264 HB2 ASN 38 1HB ASN 38 18.847 5.761 1.226 265 HB3 ASN 38 2HB ASN 38 20.508 5.582 1.786 266 HD21 ASN 38 1HD2 ASN 38 18.764 7.819 2.175 267 HD22 ASN 38 2HD2 ASN 38 19.517 9.183 1.428 268 H GLY 39 H GLY 39 20.205 3.000 -1.699 269 HA2 GLY 39 1HA GLY 39 22.023 1.290 -0.809 270 HA3 GLY 39 2HA GLY 39 20.860 1.201 0.505 271 H ILE 40 H ILE 40 20.583 -1.036 0.011 272 HA ILE 40 HA ILE 40 19.199 -1.609 -2.511 273 HB ILE 40 HB ILE 40 20.338 -3.518 -0.467 274 HG12 ILE 40 1HG1 ILE 40 21.870 -4.007 -2.517 275 HG13 ILE 40 2HG1 ILE 40 21.356 -2.416 -3.069 276 HG21 ILE 40 1HG2 ILE 40 18.711 -3.897 -2.917 277 HG22 ILE 40 2HG2 ILE 40 20.016 -5.043 -2.615 278 HG23 ILE 40 3HG2 ILE 40 18.738 -4.827 -1.419 279 HD11 ILE 40 1HD1 ILE 40 22.247 -2.433 -0.300 280 HD12 ILE 40 2HD1 ILE 40 23.491 -2.937 -1.445 281 HD13 ILE 40 3HD1 ILE 40 22.698 -1.373 -1.636 282 H ILE 41 H ILE 41 17.150 -2.446 -2.583 283 HA ILE 41 HA ILE 41 15.651 -2.362 -0.052 284 HB ILE 41 HB ILE 41 14.633 -2.074 -2.881 285 HG12 ILE 41 1HG1 ILE 41 14.500 0.052 -0.774 286 HG13 ILE 41 2HG1 ILE 41 15.995 -0.183 -1.673 287 HG21 ILE 41 1HG2 ILE 41 13.041 -1.538 -0.403 288 HG22 ILE 41 2HG2 ILE 41 12.478 -1.837 -2.047 289 HG23 ILE 41 3HG2 ILE 41 13.134 -3.162 -1.084 290 HD11 ILE 41 1HD1 ILE 41 14.015 -0.115 -3.615 291 HD12 ILE 41 2HD1 ILE 41 13.563 1.139 -2.459 292 HD13 ILE 41 3HD1 ILE 41 15.157 1.167 -3.212 293 H LEU 42 H LEU 42 14.657 -4.135 0.693 294 HA LEU 42 HA LEU 42 15.086 -6.642 -0.665 295 HB2 LEU 42 1HB LEU 42 13.596 -6.073 1.893 296 HB3 LEU 42 2HB LEU 42 14.116 -7.655 1.318 297 HG LEU 42 HG LEU 42 16.174 -5.551 1.796 298 HD11 LEU 42 1HD1 LEU 42 16.329 -6.138 4.134 299 HD12 LEU 42 2HD1 LEU 42 14.959 -7.237 3.980 300 HD13 LEU 42 3HD1 LEU 42 14.722 -5.500 3.786 301 HD21 LEU 42 1HD2 LEU 42 17.390 -7.319 1.187 302 HD22 LEU 42 2HD2 LEU 42 16.031 -8.427 1.381 303 HD23 LEU 42 3HD2 LEU 42 17.015 -7.984 2.777 304 H GLU 43 H GLU 43 12.176 -5.046 0.654 305 HA GLU 43 HA GLU 43 10.659 -5.641 -1.707 306 HB2 GLU 43 1HB GLU 43 8.967 -7.045 -0.564 307 HB3 GLU 43 2HB GLU 43 10.536 -7.828 -0.687 308 HG2 GLU 43 1HG GLU 43 10.994 -7.116 1.657 309 HG3 GLU 43 2HG GLU 43 9.330 -6.542 1.748 310 H TYR 44 H TYR 44 8.284 -5.032 -1.343 311 HA TYR 44 HA TYR 44 8.218 -2.648 0.381 312 HB2 TYR 44 1HB TYR 44 6.801 -3.280 -2.206 313 HB3 TYR 44 2HB TYR 44 6.343 -1.926 -1.179 314 HD1 TYR 44 1HD TYR 44 8.900 -3.258 -3.440 315 HD2 TYR 44 2HD TYR 44 7.769 0.027 -0.984 316 HE1 TYR 44 1HE TYR 44 10.618 -1.868 -4.520 317 HE2 TYR 44 2HE TYR 44 9.483 1.427 -2.058 318 HH TYR 44 HH TYR 44 11.093 0.503 -4.904 319 H GLU 45 H GLU 45 6.360 -2.192 1.600 320 HA GLU 45 HA GLU 45 4.561 -4.493 1.998 321 HB2 GLU 45 1HB GLU 45 5.945 -2.710 3.951 322 HB3 GLU 45 2HB GLU 45 4.359 -3.341 4.372 323 HG2 GLU 45 1HG GLU 45 5.098 -5.490 4.538 324 HG3 GLU 45 2HG GLU 45 6.405 -5.248 3.380 325 H ILE 46 H ILE 46 2.383 -4.099 2.284 326 HA ILE 46 HA ILE 46 1.502 -1.311 1.918 327 HB ILE 46 HB ILE 46 0.218 -3.742 0.668 328 HG12 ILE 46 1HG1 ILE 46 1.414 -1.526 -0.930 329 HG13 ILE 46 2HG1 ILE 46 2.504 -2.705 -0.210 330 HG21 ILE 46 1HG2 ILE 46 -1.507 -2.223 1.053 331 HG22 ILE 46 2HG2 ILE 46 -0.485 -0.830 0.706 332 HG23 ILE 46 3HG2 ILE 46 -1.015 -1.882 -0.606 333 HD11 ILE 46 1HD1 ILE 46 1.938 -3.295 -2.496 334 HD12 ILE 46 2HD1 ILE 46 1.325 -4.499 -1.362 335 HD13 ILE 46 3HD1 ILE 46 0.226 -3.319 -2.077 336 H LYS 47 H LYS 47 0.350 -0.649 3.594 337 HA LYS 47 HA LYS 47 -1.086 -2.634 5.214 338 HB2 LYS 47 1HB LYS 47 0.541 -1.274 6.427 339 HB3 LYS 47 2HB LYS 47 -0.246 0.197 5.869 340 HG2 LYS 47 1HG LYS 47 -2.199 -0.276 7.158 341 HG3 LYS 47 2HG LYS 47 -1.594 -1.880 7.579 342 HD2 LYS 47 1HD LYS 47 -0.103 -1.065 9.111 343 HD3 LYS 47 2HD LYS 47 0.084 0.476 8.271 344 HE2 LYS 47 1HE LYS 47 -1.815 1.374 9.221 345 HE3 LYS 47 2HE LYS 47 -2.542 -0.205 9.516 346 HZ1 LYS 47 1HZ LYS 47 -0.918 -0.577 11.272 347 HZ2 LYS 47 2HZ LYS 47 -1.823 0.820 11.573 348 HZ3 LYS 47 3HZ LYS 47 -0.238 0.947 10.995 349 H TYR 48 H TYR 48 -3.202 -2.795 4.938 350 HA TYR 48 HA TYR 48 -4.706 -0.393 4.131 351 HB2 TYR 48 1HB TYR 48 -6.220 -1.877 2.853 352 HB3 TYR 48 2HB TYR 48 -4.572 -1.906 2.234 353 HD1 TYR 48 2HD TYR 48 -7.075 -3.802 4.177 354 HD2 TYR 48 1HD TYR 48 -3.296 -3.916 2.226 355 HE1 TYR 48 2HE TYR 48 -7.050 -6.253 4.381 356 HE2 TYR 48 1HE TYR 48 -3.261 -6.367 2.423 357 HH TYR 48 HH TYR 48 -5.105 -8.075 4.454 358 H TYR 49 H TYR 49 -6.427 0.113 5.341 359 HA TYR 49 HA TYR 49 -7.735 -1.906 6.974 360 HB2 TYR 49 1HB TYR 49 -7.483 -0.651 9.052 361 HB3 TYR 49 2HB TYR 49 -5.904 -1.083 8.405 362 HD1 TYR 49 1HD TYR 49 -8.354 1.738 8.207 363 HD2 TYR 49 2HD TYR 49 -4.275 0.547 8.424 364 HE1 TYR 49 1HE TYR 49 -7.676 4.100 8.304 365 HE2 TYR 49 2HE TYR 49 -3.586 2.906 8.523 366 HH TYR 49 HH TYR 49 -4.853 5.161 9.344 367 H GLU 50 H GLU 50 -9.652 -0.948 8.142 368 HA GLU 50 HA GLU 50 -11.235 0.502 6.279 369 HB2 GLU 50 1HB GLU 50 -11.637 -0.654 8.989 370 HB3 GLU 50 2HB GLU 50 -12.757 0.599 8.475 371 HG2 GLU 50 1HG GLU 50 -13.682 -0.694 6.841 372 HG3 GLU 50 2HG GLU 50 -12.215 -1.645 6.610 373 H LYS 51 H LYS 51 -10.672 2.566 5.885 374 HA LYS 51 HA LYS 51 -9.459 4.400 7.502 375 HB2 LYS 51 1HB LYS 51 -9.946 5.942 5.897 376 HB3 LYS 51 2HB LYS 51 -10.394 4.497 5.000 377 HG2 LYS 51 1HG LYS 51 -12.251 5.734 4.621 378 HG3 LYS 51 2HG LYS 51 -12.741 4.980 6.140 379 HD2 LYS 51 1HD LYS 51 -12.242 6.921 7.381 380 HD3 LYS 51 2HD LYS 51 -11.324 7.631 6.052 381 HE2 LYS 51 1HE LYS 51 -13.395 8.773 6.118 382 HE3 LYS 51 2HE LYS 51 -13.479 7.673 4.743 383 HZ1 LYS 51 1HZ LYS 51 -15.513 7.478 5.880 384 HZ2 LYS 51 2HZ LYS 51 -14.767 7.369 7.393 385 HZ3 LYS 51 3HZ LYS 51 -14.638 6.091 6.293 386 H ASP 52 H ASP 52 -12.807 3.409 7.543 387 HA ASP 52 HA ASP 52 -13.718 5.534 9.229 388 HB2 ASP 52 1HB ASP 52 -15.294 4.381 7.785 389 HB3 ASP 52 2HB ASP 52 -14.940 2.846 8.574 390 H LYS 53 H LYS 53 -12.896 2.119 9.770 391 HA LYS 53 HA LYS 53 -13.317 2.269 12.596 392 HB2 LYS 53 1HB LYS 53 -12.023 0.216 10.806 393 HB3 LYS 53 2HB LYS 53 -12.096 0.028 12.553 394 HG2 LYS 53 1HG LYS 53 -14.591 0.544 10.994 395 HG3 LYS 53 2HG LYS 53 -13.903 -1.079 11.071 396 HD2 LYS 53 1HD LYS 53 -14.254 0.433 13.611 397 HD3 LYS 53 2HD LYS 53 -15.686 -0.249 12.836 398 HE2 LYS 53 1HE LYS 53 -14.656 -2.457 12.853 399 HE3 LYS 53 2HE LYS 53 -13.196 -1.785 13.577 400 HZ1 LYS 53 1HZ LYS 53 -15.334 -2.809 14.924 401 HZ2 LYS 53 2HZ LYS 53 -15.548 -1.137 15.069 402 HZ3 LYS 53 3HZ LYS 53 -14.106 -1.853 15.589 403 H GLU 54 H GLU 54 -10.325 1.584 10.773 404 HA GLU 54 HA GLU 54 -8.140 2.034 11.223 405 HB2 GLU 54 1HB GLU 54 -9.312 4.396 11.084 406 HB3 GLU 54 2HB GLU 54 -8.920 4.450 12.797 407 HG2 GLU 54 1HG GLU 54 -6.536 3.858 12.073 408 HG3 GLU 54 2HG GLU 54 -7.064 4.312 10.453 409 H MET 55 H MET 55 -9.155 0.191 12.920 410 HA MET 55 HA MET 55 -8.554 0.939 15.656 411 HB2 MET 55 1HB MET 55 -9.294 -1.273 16.249 412 HB3 MET 55 2HB MET 55 -10.433 -0.599 15.091 413 HG2 MET 55 1HG MET 55 -8.204 -2.277 14.073 414 HG3 MET 55 2HG MET 55 -9.554 -3.064 14.886 415 HE1 MET 55 1HE MET 55 -8.754 -2.825 11.088 416 HE2 MET 55 2HE MET 55 -9.211 -1.134 10.884 417 HE3 MET 55 3HE MET 55 -8.007 -1.583 12.092 418 H GLN 56 H GLN 56 -7.199 -0.778 16.910 419 HA GLN 56 HA GLN 56 -4.545 -0.539 16.115 420 HB2 GLN 56 1HB GLN 56 -5.868 -2.452 18.035 421 HB3 GLN 56 2HB GLN 56 -4.124 -2.366 17.825 422 HG2 GLN 56 1HG GLN 56 -4.363 0.118 18.367 423 HG3 GLN 56 2HG GLN 56 -5.979 -0.295 18.938 424 HE21 GLN 56 1HE2 GLN 56 -6.224 -1.316 20.861 425 HE22 GLN 56 2HE2 GLN 56 -4.919 -1.679 21.933 426 H SER 57 H SER 57 -6.717 -3.339 15.848 427 HA SER 57 HA SER 57 -4.844 -5.067 14.644 428 HB2 SER 57 1HB SER 57 -7.177 -5.577 15.695 429 HB3 SER 57 2HB SER 57 -7.788 -5.251 14.073 430 HG SER 57 HG SER 57 -7.121 -7.512 14.696 431 H TYR 58 H TYR 58 -3.780 -4.440 12.863 432 HA TYR 58 HA TYR 58 -5.390 -3.570 10.553 433 HB2 TYR 58 1HB TYR 58 -3.589 -2.136 9.840 434 HB3 TYR 58 2HB TYR 58 -3.978 -1.746 11.512 435 HD1 TYR 58 1HD TYR 58 -1.529 -3.433 9.322 436 HD2 TYR 58 2HD TYR 58 -2.369 -2.017 13.246 437 HE1 TYR 58 1HE TYR 58 0.828 -3.766 9.940 438 HE2 TYR 58 2HE TYR 58 -0.013 -2.344 13.874 439 HH TYR 58 HH TYR 58 2.099 -2.656 13.003 440 H SER 59 H SER 59 -4.746 -4.308 8.507 441 HA SER 59 HA SER 59 -3.220 -6.804 8.597 442 HB2 SER 59 1HB SER 59 -5.610 -6.414 7.509 443 HB3 SER 59 2HB SER 59 -4.640 -5.897 6.130 444 HG SER 59 HG SER 59 -5.257 -8.266 6.461 445 H THR 60 H THR 60 -1.617 -7.281 7.013 446 HA THR 60 HA THR 60 -0.462 -4.942 5.656 447 HB THR 60 HB THR 60 1.211 -6.993 7.111 448 HG1 THR 60 1HG THR 60 1.082 -4.370 8.035 449 HG21 THR 60 1HG2 THR 60 2.602 -4.596 6.776 450 HG22 THR 60 2HG2 THR 60 1.775 -4.863 5.241 451 HG23 THR 60 3HG2 THR 60 2.851 -6.100 5.889 452 H LEU 61 H LEU 61 0.615 -5.360 3.730 453 HA LEU 61 HA LEU 61 0.405 -8.122 2.726 454 HB2 LEU 61 1HB LEU 61 -1.202 -6.317 1.804 455 HB3 LEU 61 2HB LEU 61 0.217 -5.721 0.946 456 HG LEU 61 HG LEU 61 0.370 -8.187 0.086 457 HD11 LEU 61 1HD1 LEU 61 -2.368 -8.005 1.236 458 HD12 LEU 61 2HD1 LEU 61 -1.256 -9.372 1.171 459 HD13 LEU 61 3HD1 LEU 61 -2.138 -8.884 -0.276 460 HD21 LEU 61 1HD2 LEU 61 -1.840 -6.463 -0.999 461 HD22 LEU 61 2HD2 LEU 61 -0.757 -7.542 -1.878 462 HD23 LEU 61 3HD2 LEU 61 -0.136 -6.045 -1.181 463 H LYS 62 H LYS 62 1.970 -8.749 1.132 464 HA LYS 62 HA LYS 62 4.443 -7.148 1.239 465 HB2 LYS 62 1HB LYS 62 4.081 -10.143 1.310 466 HB3 LYS 62 2HB LYS 62 5.629 -9.375 0.983 467 HG2 LYS 62 1HG LYS 62 4.057 -8.761 3.461 468 HG3 LYS 62 2HG LYS 62 5.163 -10.134 3.368 469 HD2 LYS 62 1HD LYS 62 6.937 -8.490 2.628 470 HD3 LYS 62 2HD LYS 62 5.810 -7.207 3.078 471 HE2 LYS 62 1HE LYS 62 6.864 -9.361 4.909 472 HE3 LYS 62 2HE LYS 62 7.401 -7.682 4.876 473 HZ1 LYS 62 1HZ LYS 62 5.881 -7.632 6.563 474 HZ2 LYS 62 2HZ LYS 62 4.881 -8.807 5.871 475 HZ3 LYS 62 3HZ LYS 62 4.878 -7.229 5.261 476 H ALA 63 H ALA 63 5.420 -6.675 -0.644 477 HA ALA 63 HA ALA 63 4.715 -8.167 -3.055 478 HB1 ALA 63 1HB ALA 63 3.105 -6.455 -3.193 479 HB2 ALA 63 2HB ALA 63 4.256 -5.221 -2.678 480 HB3 ALA 63 3HB ALA 63 4.411 -5.962 -4.271 481 H VAL 64 H VAL 64 6.401 -8.441 -4.395 482 HA VAL 64 HA VAL 64 8.958 -7.309 -3.618 483 HB VAL 64 HB VAL 64 9.902 -8.807 -5.347 484 HG11 VAL 64 1HG1 VAL 64 9.096 -9.459 -2.894 485 HG12 VAL 64 2HG1 VAL 64 8.083 -10.574 -3.814 486 HG13 VAL 64 3HG1 VAL 64 9.838 -10.626 -3.988 487 HG21 VAL 64 1HG2 VAL 64 7.023 -9.604 -5.763 488 HG22 VAL 64 2HG2 VAL 64 8.076 -8.810 -6.934 489 HG23 VAL 64 3HG2 VAL 64 8.416 -10.463 -6.421 490 H THR 65 H THR 65 6.620 -7.029 -6.200 491 HA THR 65 HA THR 65 8.403 -5.272 -7.718 492 HB THR 65 HB THR 65 7.288 -6.925 -9.069 493 HG1 THR 65 1HG THR 65 7.461 -4.726 -9.891 494 HG21 THR 65 1HG2 THR 65 4.859 -7.067 -9.235 495 HG22 THR 65 2HG2 THR 65 4.688 -5.800 -8.021 496 HG23 THR 65 3HG2 THR 65 5.381 -7.359 -7.577 497 H THR 66 H THR 66 7.370 -3.288 -8.677 498 HA THR 66 HA THR 66 6.229 -1.725 -6.540 499 HB THR 66 HB THR 66 6.415 0.176 -8.087 500 HG1 THR 66 1HG THR 66 6.242 -0.372 -10.131 501 HG21 THR 66 1HG2 THR 66 8.379 -0.566 -6.765 502 HG22 THR 66 2HG2 THR 66 8.826 0.216 -8.281 503 HG23 THR 66 3HG2 THR 66 8.899 -1.540 -8.140 504 H ARG 67 H ARG 67 4.709 -3.904 -8.085 505 HA ARG 67 HA ARG 67 2.280 -2.302 -8.461 506 HB2 ARG 67 1HB ARG 67 3.128 -4.527 -10.323 507 HB3 ARG 67 2HB ARG 67 1.671 -3.550 -10.452 508 HG2 ARG 67 1HG ARG 67 2.838 -1.671 -11.150 509 HG3 ARG 67 2HG ARG 67 4.372 -2.270 -10.516 510 HD2 ARG 67 1HD ARG 67 2.998 -3.806 -12.668 511 HD3 ARG 67 2HD ARG 67 3.853 -2.324 -13.093 512 HE ARG 67 HE ARG 67 5.721 -3.600 -11.698 513 HH11 ARG 67 2HH1 ARG 67 3.575 -4.753 -14.186 514 HH12 ARG 67 1HH1 ARG 67 4.680 -5.955 -14.763 515 HH21 ARG 67 2HH2 ARG 67 7.185 -5.179 -12.450 516 HH22 ARG 67 1HH2 ARG 67 6.733 -6.198 -13.775 517 H ALA 68 H ALA 68 0.669 -3.057 -7.264 518 HA ALA 68 HA ALA 68 0.322 -5.914 -6.876 519 HB1 ALA 68 1HB ALA 68 1.782 -5.420 -5.040 520 HB2 ALA 68 2HB ALA 68 0.794 -4.037 -4.567 521 HB3 ALA 68 3HB ALA 68 0.155 -5.673 -4.407 522 H THR 69 H THR 69 -1.770 -6.492 -6.161 523 HA THR 69 HA THR 69 -3.732 -4.292 -6.196 524 HB THR 69 HB THR 69 -4.078 -7.038 -7.417 525 HG1 THR 69 1HG THR 69 -4.258 -4.640 -8.867 526 HG21 THR 69 1HG2 THR 69 -5.955 -4.762 -6.924 527 HG22 THR 69 2HG2 THR 69 -6.220 -6.496 -6.734 528 HG23 THR 69 3HG2 THR 69 -6.175 -5.782 -8.346 529 H VAL 70 H VAL 70 -4.380 -4.123 -4.136 530 HA VAL 70 HA VAL 70 -4.444 -6.239 -2.270 531 HB VAL 70 HB VAL 70 -5.906 -3.596 -2.207 532 HG11 VAL 70 1HG1 VAL 70 -6.160 -3.947 0.168 533 HG12 VAL 70 2HG1 VAL 70 -6.880 -5.303 -0.703 534 HG13 VAL 70 3HG1 VAL 70 -5.303 -5.485 0.066 535 HG21 VAL 70 1HG2 VAL 70 -3.922 -3.339 -0.422 536 HG22 VAL 70 2HG2 VAL 70 -3.146 -4.436 -1.565 537 HG23 VAL 70 3HG2 VAL 70 -3.760 -2.878 -2.117 538 H SER 71 H SER 71 -5.709 -7.967 -2.509 539 HA SER 71 HA SER 71 -8.492 -7.559 -3.381 540 HB2 SER 71 1HB SER 71 -7.584 -9.027 -4.945 541 HB3 SER 71 2HB SER 71 -6.564 -9.828 -3.751 542 HG SER 71 HG SER 71 -9.383 -9.984 -3.647 543 H GLY 72 H GLY 72 -10.150 -8.829 -2.357 544 HA2 GLY 72 1HA GLY 72 -11.016 -10.157 -0.612 545 HA3 GLY 72 2HA GLY 72 -9.460 -10.067 0.199 546 H LEU 73 H LEU 73 -11.409 -7.393 -1.051 547 HA LEU 73 HA LEU 73 -11.595 -6.369 1.704 548 HB2 LEU 73 1HB LEU 73 -11.699 -4.771 -0.846 549 HB3 LEU 73 2HB LEU 73 -11.618 -4.146 0.800 550 HG LEU 73 HG LEU 73 -9.399 -5.817 -0.334 551 HD11 LEU 73 1HD1 LEU 73 -9.151 -4.223 -1.902 552 HD12 LEU 73 2HD1 LEU 73 -8.452 -3.302 -0.571 553 HD13 LEU 73 3HD1 LEU 73 -10.138 -3.053 -1.025 554 HD21 LEU 73 1HD2 LEU 73 -8.973 -5.580 1.894 555 HD22 LEU 73 2HD2 LEU 73 -9.834 -4.045 2.011 556 HD23 LEU 73 3HD2 LEU 73 -8.222 -4.100 1.297 557 H LYS 74 H LYS 74 -13.498 -4.936 2.100 558 HA LYS 74 HA LYS 74 -15.892 -6.261 1.119 559 HB2 LYS 74 1HB LYS 74 -15.271 -4.393 3.374 560 HB3 LYS 74 2HB LYS 74 -16.934 -4.549 2.822 561 HG2 LYS 74 1HG LYS 74 -17.061 -6.788 3.450 562 HG3 LYS 74 2HG LYS 74 -15.306 -6.961 3.531 563 HD2 LYS 74 1HD LYS 74 -16.617 -4.994 5.339 564 HD3 LYS 74 2HD LYS 74 -16.779 -6.711 5.714 565 HE2 LYS 74 1HE LYS 74 -14.301 -6.905 5.582 566 HE3 LYS 74 2HE LYS 74 -14.217 -5.156 5.377 567 HZ1 LYS 74 1HZ LYS 74 -14.119 -5.081 7.584 568 HZ2 LYS 74 2HZ LYS 74 -14.603 -6.692 7.763 569 HZ3 LYS 74 3HZ LYS 74 -15.764 -5.474 7.589 570 HA PRO 75 HA PRO 75 -16.921 -3.163 -1.837 571 HB2 PRO 75 1HB PRO 75 -19.596 -3.602 -1.993 572 HB3 PRO 75 2HB PRO 75 -18.400 -4.694 -2.701 573 HG2 PRO 75 1HG PRO 75 -19.877 -4.927 -0.108 574 HG3 PRO 75 2HG PRO 75 -19.535 -6.178 -1.317 575 HD2 PRO 75 1HD PRO 75 -18.092 -5.920 0.960 576 HD3 PRO 75 2HD PRO 75 -17.382 -6.498 -0.560 577 H GLY 76 H GLY 76 -17.803 -1.102 -1.981 578 HA2 GLY 76 1HA GLY 76 -18.480 0.936 -1.169 579 HA3 GLY 76 2HA GLY 76 -19.759 0.028 -0.377 580 H THR 77 H THR 77 -16.249 -0.006 0.158 581 HA THR 77 HA THR 77 -16.617 1.256 2.762 582 HB THR 77 HB THR 77 -15.263 -1.435 2.493 583 HG1 THR 77 1HG THR 77 -17.661 -0.835 3.899 584 HG21 THR 77 1HG2 THR 77 -15.058 -1.360 4.902 585 HG22 THR 77 2HG2 THR 77 -15.902 0.188 4.959 586 HG23 THR 77 3HG2 THR 77 -14.309 0.079 4.212 587 H ARG 78 H ARG 78 -15.255 2.920 2.564 588 HA ARG 78 HA ARG 78 -13.018 3.083 0.933 589 HB2 ARG 78 1HB ARG 78 -14.020 4.595 3.284 590 HB3 ARG 78 2HB ARG 78 -12.334 4.834 2.846 591 HG2 ARG 78 1HG ARG 78 -13.173 5.301 0.492 592 HG3 ARG 78 2HG ARG 78 -14.781 5.405 1.212 593 HD2 ARG 78 1HD ARG 78 -13.925 7.143 2.756 594 HD3 ARG 78 2HD ARG 78 -12.377 7.083 1.915 595 HE ARG 78 HE ARG 78 -14.641 7.611 0.210 596 HH11 ARG 78 2HH1 ARG 78 -12.169 8.988 2.239 597 HH12 ARG 78 1HH1 ARG 78 -12.216 10.538 1.466 598 HH21 ARG 78 2HH2 ARG 78 -14.712 9.647 -0.815 599 HH22 ARG 78 1HH2 ARG 78 -13.664 10.913 -0.270 600 H TYR 79 H TYR 79 -10.805 2.862 1.275 601 HA TYR 79 HA TYR 79 -9.938 1.592 3.767 602 HB2 TYR 79 1HB TYR 79 -9.746 0.427 1.013 603 HB3 TYR 79 2HB TYR 79 -8.500 0.062 2.201 604 HD1 TYR 79 2HD TYR 79 -9.338 -0.842 4.494 605 HD2 TYR 79 1HD TYR 79 -11.674 -0.865 0.938 606 HE1 TYR 79 2HE TYR 79 -10.758 -2.611 5.445 607 HE2 TYR 79 1HE TYR 79 -13.101 -2.634 1.880 608 HH TYR 79 HH TYR 79 -13.422 -3.333 4.883 609 H VAL 80 H VAL 80 -8.065 2.379 4.491 610 HA VAL 80 HA VAL 80 -6.644 4.314 2.844 611 HB VAL 80 HB VAL 80 -6.261 3.573 5.748 612 HG11 VAL 80 1HG1 VAL 80 -4.727 5.324 5.944 613 HG12 VAL 80 2HG1 VAL 80 -4.271 4.527 4.437 614 HG13 VAL 80 3HG1 VAL 80 -5.194 6.030 4.397 615 HG21 VAL 80 1HG2 VAL 80 -8.428 4.744 4.930 616 HG22 VAL 80 2HG2 VAL 80 -7.575 5.390 6.331 617 HG23 VAL 80 3HG2 VAL 80 -7.391 6.159 4.755 618 H PHE 81 H PHE 81 -4.935 3.756 1.683 619 HA PHE 81 HA PHE 81 -3.466 1.318 2.392 620 HB2 PHE 81 1HB PHE 81 -3.527 2.896 -0.188 621 HB3 PHE 81 2HB PHE 81 -2.575 1.440 0.078 622 HD1 PHE 81 1HD PHE 81 -3.629 -0.733 0.203 623 HD2 PHE 81 2HD PHE 81 -5.924 2.791 -0.454 624 HE1 PHE 81 1HE PHE 81 -5.540 -2.114 -0.500 625 HE2 PHE 81 2HE PHE 81 -7.839 1.416 -1.157 626 HZ PHE 81 HZ PHE 81 -7.650 -1.039 -1.180 627 H GLN 82 H GLN 82 -1.175 1.296 2.404 628 HA GLN 82 HA GLN 82 0.238 3.830 2.320 629 HB2 GLN 82 1HB GLN 82 -0.255 2.285 4.831 630 HB3 GLN 82 2HB GLN 82 1.286 3.110 4.630 631 HG2 GLN 82 1HG GLN 82 0.263 5.221 4.518 632 HG3 GLN 82 2HG GLN 82 -1.337 4.520 4.282 633 HE21 GLN 82 1HE2 GLN 82 0.479 6.090 6.438 634 HE22 GLN 82 2HE2 GLN 82 -0.194 5.496 7.913 635 H VAL 83 H VAL 83 1.938 3.414 1.087 636 HA VAL 83 HA VAL 83 3.185 0.754 1.231 637 HB VAL 83 HB VAL 83 3.429 2.836 -0.945 638 HG11 VAL 83 1HG1 VAL 83 4.128 0.177 -1.738 639 HG12 VAL 83 2HG1 VAL 83 5.111 1.642 -1.767 640 HG13 VAL 83 3HG1 VAL 83 5.068 0.636 -0.319 641 HG21 VAL 83 1HG2 VAL 83 1.229 1.347 -0.445 642 HG22 VAL 83 2HG2 VAL 83 1.716 1.878 -2.055 643 HG23 VAL 83 3HG2 VAL 83 2.127 0.255 -1.499 644 H ARG 84 H ARG 84 5.378 0.521 1.544 645 HA ARG 84 HA ARG 84 7.078 2.852 1.793 646 HB2 ARG 84 1HB ARG 84 7.770 2.297 4.107 647 HB3 ARG 84 2HB ARG 84 6.091 2.809 4.001 648 HG2 ARG 84 1HG ARG 84 5.372 0.474 4.109 649 HG3 ARG 84 2HG ARG 84 7.058 -0.034 4.223 650 HD2 ARG 84 1HD ARG 84 7.082 1.643 6.249 651 HD3 ARG 84 2HD ARG 84 5.344 1.346 6.232 652 HE ARG 84 HE ARG 84 6.563 -1.134 6.152 653 HH11 ARG 84 2HH1 ARG 84 6.448 1.596 8.309 654 HH12 ARG 84 1HH1 ARG 84 6.685 0.645 9.737 655 HH21 ARG 84 2HH2 ARG 84 6.877 -2.398 8.025 656 HH22 ARG 84 1HH2 ARG 84 6.931 -1.627 9.574 657 H ALA 85 H ALA 85 9.319 2.330 1.921 658 HA ALA 85 HA ALA 85 9.901 -0.364 0.912 659 HB1 ALA 85 1HB ALA 85 10.888 0.928 -0.647 660 HB2 ALA 85 2HB ALA 85 11.043 2.308 0.439 661 HB3 ALA 85 3HB ALA 85 12.205 0.984 0.524 662 H ARG 86 H ARG 86 11.219 -1.747 1.965 663 HA ARG 86 HA ARG 86 12.435 -0.800 4.478 664 HB2 ARG 86 1HB ARG 86 10.581 -2.304 4.933 665 HB3 ARG 86 2HB ARG 86 11.252 -3.507 3.839 666 HG2 ARG 86 1HG ARG 86 13.082 -3.930 5.295 667 HG3 ARG 86 2HG ARG 86 12.671 -2.546 6.309 668 HD2 ARG 86 1HD ARG 86 11.908 -4.466 7.462 669 HD3 ARG 86 2HD ARG 86 10.476 -3.696 6.779 670 HE ARG 86 HE ARG 86 11.007 -5.461 4.886 671 HH11 ARG 86 2HH1 ARG 86 11.046 -5.841 8.346 672 HH12 ARG 86 1HH1 ARG 86 10.618 -7.519 8.297 673 HH21 ARG 86 2HH2 ARG 86 10.443 -7.670 4.809 674 HH22 ARG 86 1HH2 ARG 86 10.276 -8.559 6.285 675 H THR 87 H THR 87 14.563 -0.663 4.250 676 HA THR 87 HA THR 87 15.945 -2.568 2.495 677 HB THR 87 HB THR 87 17.870 -1.003 2.639 678 HG1 THR 87 1HG THR 87 17.809 0.644 3.976 679 HG21 THR 87 1HG2 THR 87 15.572 -0.759 1.143 680 HG22 THR 87 2HG2 THR 87 17.077 0.116 0.865 681 HG23 THR 87 3HG2 THR 87 15.785 0.860 1.806 682 H SER 88 H SER 88 17.601 -3.854 3.213 683 HA SER 88 HA SER 88 17.612 -5.077 5.575 684 HB2 SER 88 1HB SER 88 19.245 -5.305 3.526 685 HB3 SER 88 2HB SER 88 20.318 -4.328 4.528 686 HG SER 88 HG SER 88 20.455 -6.702 4.749 687 H ALA 89 H ALA 89 19.258 -2.003 4.967 688 HA ALA 89 HA ALA 89 20.511 -1.679 7.431 689 HB1 ALA 89 1HB ALA 89 21.233 0.104 6.326 690 HB2 ALA 89 2HB ALA 89 19.932 -0.050 5.144 691 HB3 ALA 89 3HB ALA 89 19.675 0.875 6.624 692 H GLY 90 H GLY 90 17.461 -0.094 6.446 693 HA2 GLY 90 1HA GLY 90 16.347 -0.621 9.091 694 HA3 GLY 90 2HA GLY 90 16.580 1.067 8.663 695 H CYS 91 H CYS 91 14.111 0.604 9.217 696 HA CYS 91 HA CYS 91 12.723 -0.006 6.696 697 HB2 CYS 91 1HB CYS 91 12.050 -1.424 8.577 698 HB3 CYS 91 2HB CYS 91 11.661 0.003 9.529 699 HG CYS 91 HG CYS 91 9.975 -1.275 6.860 700 H GLY 92 H GLY 92 11.592 1.538 5.673 701 HA2 GLY 92 1HA GLY 92 11.816 4.252 6.593 702 HA3 GLY 92 2HA GLY 92 11.043 3.713 5.110 703 H ARG 93 H ARG 93 9.836 5.709 6.398 704 HA ARG 93 HA ARG 93 7.800 4.630 8.174 705 HB2 ARG 93 1HB ARG 93 8.652 7.368 7.335 706 HB3 ARG 93 2HB ARG 93 7.021 7.144 7.954 707 HG2 ARG 93 1HG ARG 93 8.170 5.973 9.939 708 HG3 ARG 93 2HG ARG 93 9.635 6.763 9.354 709 HD2 ARG 93 1HD ARG 93 8.889 8.361 10.804 710 HD3 ARG 93 2HD ARG 93 8.065 8.883 9.335 711 HE ARG 93 HE ARG 93 6.243 7.261 10.431 712 HH11 ARG 93 2HH1 ARG 93 8.157 9.834 11.787 713 HH12 ARG 93 1HH1 ARG 93 6.969 10.270 12.970 714 HH21 ARG 93 2HH2 ARG 93 4.671 7.826 11.984 715 HH22 ARG 93 1HH2 ARG 93 4.987 9.127 13.082 716 H PHE 94 H PHE 94 5.610 4.564 7.721 717 HA PHE 94 HA PHE 94 4.839 3.903 5.126 718 HB2 PHE 94 1HB PHE 94 3.409 4.490 7.667 719 HB3 PHE 94 2HB PHE 94 2.459 4.517 6.185 720 HD1 PHE 94 1HD PHE 94 3.184 2.410 4.572 721 HD2 PHE 94 2HD PHE 94 3.281 2.528 8.826 722 HE1 PHE 94 1HE PHE 94 3.005 -0.043 4.641 723 HE2 PHE 94 2HE PHE 94 3.103 0.076 8.901 724 HZ PHE 94 HZ PHE 94 2.965 -1.213 6.808 725 H SER 95 H SER 95 4.171 5.034 3.408 726 HA SER 95 HA SER 95 4.578 7.787 3.207 727 HB2 SER 95 1HB SER 95 4.493 6.147 1.298 728 HB3 SER 95 2HB SER 95 2.736 6.151 1.450 729 HG SER 95 HG SER 95 4.425 8.333 0.799 730 H GLN 96 H GLN 96 2.718 9.253 2.297 731 HA GLN 96 HA GLN 96 1.060 9.956 4.389 732 HB2 GLN 96 1HB GLN 96 0.912 10.508 1.437 733 HB3 GLN 96 2HB GLN 96 -0.304 11.138 2.541 734 HG2 GLN 96 1HG GLN 96 1.235 12.498 3.648 735 HG3 GLN 96 2HG GLN 96 2.616 11.616 2.999 736 HE21 GLN 96 1HE2 GLN 96 2.498 14.346 2.859 737 HE22 GLN 96 2HE2 GLN 96 2.296 14.837 1.215 738 H ALA 97 H ALA 97 -1.104 9.642 4.882 739 HA ALA 97 HA ALA 97 -2.159 7.086 4.444 740 HB1 ALA 97 1HB ALA 97 -3.632 7.675 6.014 741 HB2 ALA 97 2HB ALA 97 -2.735 9.191 6.116 742 HB3 ALA 97 3HB ALA 97 -4.172 9.084 5.100 743 H MET 98 H MET 98 -2.760 6.335 2.515 744 HA MET 98 HA MET 98 -3.809 8.056 0.463 745 HB2 MET 98 1HB MET 98 -2.405 6.259 -0.251 746 HB3 MET 98 2HB MET 98 -3.369 5.075 0.621 747 HG2 MET 98 1HG MET 98 -4.125 4.717 -1.489 748 HG3 MET 98 2HG MET 98 -5.274 5.945 -0.963 749 HE1 MET 98 1HE MET 98 -3.368 5.946 -4.763 750 HE2 MET 98 2HE MET 98 -3.890 4.682 -3.649 751 HE3 MET 98 3HE MET 98 -5.065 5.828 -4.298 752 H GLU 99 H GLU 99 -5.882 8.024 -0.422 753 HA GLU 99 HA GLU 99 -7.934 6.680 1.210 754 HB2 GLU 99 1HB GLU 99 -7.761 9.504 0.262 755 HB3 GLU 99 2HB GLU 99 -9.347 8.752 0.352 756 HG2 GLU 99 1HG GLU 99 -8.595 8.105 2.760 757 HG3 GLU 99 2HG GLU 99 -7.441 9.420 2.543 758 H VAL 100 H VAL 100 -9.182 5.328 0.110 759 HA VAL 100 HA VAL 100 -9.990 5.896 -2.607 760 HB VAL 100 HB VAL 100 -8.339 3.441 -1.997 761 HG11 VAL 100 1HG1 VAL 100 -9.779 4.234 -4.526 762 HG12 VAL 100 2HG1 VAL 100 -8.677 2.865 -4.360 763 HG13 VAL 100 3HG1 VAL 100 -10.196 2.889 -3.464 764 HG21 VAL 100 1HG2 VAL 100 -7.821 5.724 -3.899 765 HG22 VAL 100 2HG2 VAL 100 -7.031 5.498 -2.339 766 HG23 VAL 100 3HG2 VAL 100 -6.778 4.326 -3.632 767 H GLU 101 H GLU 101 -11.893 4.919 -3.151 768 HA GLU 101 HA GLU 101 -13.111 3.229 -1.072 769 HB2 GLU 101 1HB GLU 101 -14.103 5.533 -1.747 770 HB3 GLU 101 2HB GLU 101 -14.669 4.690 -3.182 771 HG2 GLU 101 1HG GLU 101 -15.603 2.990 -1.402 772 HG3 GLU 101 2HG GLU 101 -15.519 4.404 -0.352 773 H THR 102 H THR 102 -14.292 1.395 -1.657 774 HA THR 102 HA THR 102 -13.435 0.193 -4.170 775 HB THR 102 HB THR 102 -14.423 -1.899 -3.236 776 HG1 THR 102 1HG THR 102 -15.084 -1.841 -1.038 777 HG21 THR 102 1HG2 THR 102 -12.778 -1.375 -0.986 778 HG22 THR 102 2HG2 THR 102 -12.109 -0.487 -2.355 779 HG23 THR 102 3HG2 THR 102 -12.359 -2.228 -2.471 780 H GLY 103 H GLY 103 -15.146 -1.322 -5.200 781 HA2 GLY 103 1HA GLY 103 -17.240 0.324 -6.187 782 HA3 GLY 103 2HA GLY 103 -17.017 -1.385 -6.534 783 H LYS 104 H LYS 104 -19.239 0.639 -5.479 784 HA LYS 104 HA LYS 104 -20.161 -0.480 -3.052 785 HB2 LYS 104 1HB LYS 104 -21.407 1.218 -5.188 786 HB3 LYS 104 2HB LYS 104 -22.403 0.555 -3.899 787 HG2 LYS 104 1HG LYS 104 -19.920 1.988 -3.133 788 HG3 LYS 104 2HG LYS 104 -21.284 2.940 -3.722 789 HD2 LYS 104 1HD LYS 104 -22.666 1.552 -2.023 790 HD3 LYS 104 2HD LYS 104 -21.099 1.198 -1.292 791 HE2 LYS 104 1HE LYS 104 -21.949 4.011 -1.901 792 HE3 LYS 104 2HE LYS 104 -22.425 3.210 -0.405 793 HZ1 LYS 104 1HZ LYS 104 -20.438 3.612 0.451 794 HZ2 LYS 104 2HZ LYS 104 -20.045 4.517 -0.922 795 HZ3 LYS 104 3HZ LYS 104 -19.653 2.873 -0.853 796 HA PRO 105 HA PRO 105 -22.054 -4.235 -4.328 797 HB2 PRO 105 1HB PRO 105 -24.022 -4.437 -2.469 798 HB3 PRO 105 2HB PRO 105 -22.315 -4.704 -2.094 799 HG2 PRO 105 1HG PRO 105 -23.994 -2.267 -1.645 800 HG3 PRO 105 2HG PRO 105 -22.808 -3.022 -0.565 801 HD2 PRO 105 1HD PRO 105 -22.238 -0.832 -2.052 802 HD3 PRO 105 2HD PRO 105 -21.018 -2.059 -1.652 803 H SER 106 H SER 106 -23.430 -1.282 -4.809 804 HA SER 106 HA SER 106 -26.110 -1.567 -5.208 805 HB2 SER 106 1HB SER 106 -25.942 0.137 -6.951 806 HB3 SER 106 2HB SER 106 -24.847 0.522 -5.624 807 HG SER 106 HG SER 106 -23.155 -0.400 -6.884 808 H GLY 107 H GLY 107 -23.573 -2.431 -7.558 809 HA2 GLY 107 1HA GLY 107 -25.176 -4.616 -8.548 810 HA3 GLY 107 2HA GLY 107 -25.022 -3.286 -9.687 811 HA PRO 108 HA PRO 108 -21.268 -6.260 -9.658 812 HB2 PRO 108 1HB PRO 108 -21.935 -7.852 -11.754 813 HB3 PRO 108 2HB PRO 108 -22.352 -8.242 -10.081 814 HG2 PRO 108 1HG PRO 108 -24.048 -7.010 -12.218 815 HG3 PRO 108 2HG PRO 108 -24.468 -8.270 -11.043 816 HD2 PRO 108 1HD PRO 108 -25.184 -5.679 -10.719 817 HD3 PRO 108 2HD PRO 108 -24.823 -6.748 -9.348 818 H SER 109 H SER 109 -23.052 -4.322 -11.845 819 HA SER 109 HA SER 109 -20.634 -3.933 -13.483 820 HB2 SER 109 1HB SER 109 -23.467 -4.347 -14.312 821 HB3 SER 109 2HB SER 109 -22.503 -3.201 -15.244 822 HG SER 109 HG SER 109 -20.904 -4.999 -15.308 823 H SER 110 H SER 110 -20.479 -1.791 -14.488 824 HA SER 110 HA SER 110 -20.441 0.298 -12.805 825 HB2 SER 110 1HB SER 110 -19.766 0.151 -15.322 826 HB3 SER 110 2HB SER 110 -21.368 0.830 -15.612 827 HG SER 110 HG SER 110 -19.386 1.971 -13.929 828 H GLY 111 H GLY 111 -23.184 -0.268 -15.024 829 HA2 GLY 111 1HA GLY 111 -24.843 1.392 -13.241 830 HA3 GLY 111 2HA GLY 111 -25.175 1.092 -14.941 Start of MODEL 19 1 H1 GLY 1 H GLY 1 27.154 -5.822 17.977 2 HA2 GLY 1 1HA GLY 1 25.961 -7.751 19.033 3 HA3 GLY 1 2HA GLY 1 26.021 -6.817 20.520 4 H SER 2 H SER 2 23.871 -6.553 20.882 5 HA SER 2 HA SER 2 21.801 -6.207 19.173 6 HB2 SER 2 1HB SER 2 21.398 -6.319 21.542 7 HB3 SER 2 2HB SER 2 22.266 -4.809 21.815 8 HG SER 2 HG SER 2 20.055 -4.409 21.808 9 H SER 3 H SER 3 23.572 -3.454 20.598 10 HA SER 3 HA SER 3 22.399 -1.463 19.047 11 HB2 SER 3 1HB SER 3 25.058 -1.647 20.447 12 HB3 SER 3 2HB SER 3 24.605 -0.208 19.535 13 HG SER 3 HG SER 3 22.734 -0.073 20.874 14 H GLY 4 H GLY 4 22.495 -1.011 16.952 15 HA2 GLY 4 1HA GLY 4 24.962 -1.521 15.470 16 HA3 GLY 4 2HA GLY 4 23.515 -2.354 14.919 17 H SER 5 H SER 5 24.686 0.910 15.720 18 HA SER 5 HA SER 5 22.687 2.149 14.055 19 HB2 SER 5 1HB SER 5 25.116 3.359 15.401 20 HB3 SER 5 2HB SER 5 23.782 4.257 14.676 21 HG SER 5 HG SER 5 22.437 3.551 16.264 22 H SER 6 H SER 6 26.256 2.120 13.981 23 HA SER 6 HA SER 6 26.601 3.299 11.503 24 HB2 SER 6 1HB SER 6 28.275 1.216 12.916 25 HB3 SER 6 2HB SER 6 28.793 2.036 11.443 26 HG SER 6 HG SER 6 29.537 3.443 12.831 27 H GLY 7 H GLY 7 26.100 2.716 9.499 28 HA2 GLY 7 1HA GLY 7 26.499 0.201 8.365 29 HA3 GLY 7 2HA GLY 7 24.829 0.258 8.910 30 H GLN 8 H GLN 8 23.498 0.694 7.295 31 HA GLN 8 HA GLN 8 24.398 2.558 5.201 32 HB2 GLN 8 1HB GLN 8 22.580 0.169 5.118 33 HB3 GLN 8 2HB GLN 8 22.486 1.414 3.879 34 HG2 GLN 8 1HG GLN 8 23.879 -0.299 3.040 35 HG3 GLN 8 2HG GLN 8 24.926 1.056 3.460 36 HE21 GLN 8 1HE2 GLN 8 26.756 0.390 4.298 37 HE22 GLN 8 2HE2 GLN 8 26.964 -0.944 5.376 38 H ALA 9 H ALA 9 22.710 3.900 4.211 39 HA ALA 9 HA ALA 9 21.062 5.104 6.253 40 HB1 ALA 9 1HB ALA 9 22.355 6.458 4.636 41 HB2 ALA 9 2HB ALA 9 21.315 5.856 3.345 42 HB3 ALA 9 3HB ALA 9 20.633 6.840 4.640 43 H ALA 10 H ALA 10 18.788 5.537 5.989 44 HA ALA 10 HA ALA 10 17.376 3.237 4.940 45 HB1 ALA 10 1HB ALA 10 16.097 5.631 6.221 46 HB2 ALA 10 2HB ALA 10 15.525 3.963 6.175 47 HB3 ALA 10 3HB ALA 10 16.914 4.391 7.173 48 HA PRO 11 HA PRO 11 16.041 4.995 1.141 49 HB2 PRO 11 1HB PRO 11 13.649 3.749 0.835 50 HB3 PRO 11 2HB PRO 11 15.196 2.920 0.631 51 HG2 PRO 11 1HG PRO 11 13.358 2.943 2.993 52 HG3 PRO 11 2HG PRO 11 14.233 1.581 2.270 53 HD2 PRO 11 1HD PRO 11 15.097 2.848 4.502 54 HD3 PRO 11 2HD PRO 11 16.210 2.131 3.319 55 H SER 12 H SER 12 14.748 6.608 0.301 56 HA SER 12 HA SER 12 13.452 8.317 2.175 57 HB2 SER 12 1HB SER 12 13.255 9.853 0.421 58 HB3 SER 12 2HB SER 12 14.685 8.927 -0.034 59 HG SER 12 HG SER 12 12.753 7.601 -1.087 60 H GLN 13 H GLN 13 11.367 8.471 2.724 61 HA GLN 13 HA GLN 13 9.528 6.463 2.206 62 HB2 GLN 13 1HB GLN 13 9.219 7.871 4.110 63 HB3 GLN 13 2HB GLN 13 9.126 9.313 3.108 64 HG2 GLN 13 1HG GLN 13 7.071 7.963 2.080 65 HG3 GLN 13 2HG GLN 13 7.072 7.277 3.704 66 HE21 GLN 13 1HE2 GLN 13 5.257 8.218 4.472 67 HE22 GLN 13 2HE2 GLN 13 5.060 9.923 4.676 68 H VAL 14 H VAL 14 8.409 5.947 0.456 69 HA VAL 14 HA VAL 14 8.475 7.346 -1.947 70 HB VAL 14 HB VAL 14 6.351 5.394 -1.049 71 HG11 VAL 14 1HG1 VAL 14 6.818 5.145 -3.788 72 HG12 VAL 14 2HG1 VAL 14 5.395 5.838 -3.008 73 HG13 VAL 14 3HG1 VAL 14 6.734 6.881 -3.489 74 HG21 VAL 14 1HG2 VAL 14 8.015 4.006 -2.685 75 HG22 VAL 14 2HG2 VAL 14 9.156 5.065 -1.856 76 HG23 VAL 14 3HG2 VAL 14 8.108 3.995 -0.924 77 H VAL 15 H VAL 15 7.558 9.190 -2.533 78 HA VAL 15 HA VAL 15 5.116 10.062 -1.138 79 HB VAL 15 HB VAL 15 5.768 12.357 -2.050 80 HG11 VAL 15 1HG1 VAL 15 7.515 11.001 0.001 81 HG12 VAL 15 2HG1 VAL 15 7.370 12.747 -0.213 82 HG13 VAL 15 3HG1 VAL 15 5.971 11.801 0.294 83 HG21 VAL 15 1HG2 VAL 15 8.106 12.704 -2.593 84 HG22 VAL 15 2HG2 VAL 15 8.435 10.984 -2.383 85 HG23 VAL 15 3HG2 VAL 15 7.399 11.529 -3.702 86 H VAL 16 H VAL 16 5.563 8.342 -3.645 87 HA VAL 16 HA VAL 16 3.685 9.840 -5.347 88 HB VAL 16 HB VAL 16 5.799 9.923 -6.488 89 HG11 VAL 16 1HG1 VAL 16 7.084 7.945 -7.051 90 HG12 VAL 16 2HG1 VAL 16 6.873 8.052 -5.302 91 HG13 VAL 16 3HG1 VAL 16 5.901 6.918 -6.241 92 HG21 VAL 16 1HG2 VAL 16 4.842 7.800 -8.171 93 HG22 VAL 16 2HG2 VAL 16 3.486 8.735 -7.540 94 HG23 VAL 16 3HG2 VAL 16 4.778 9.544 -8.427 95 H ILE 17 H ILE 17 1.808 8.805 -5.333 96 HA ILE 17 HA ILE 17 1.778 5.912 -5.751 97 HB ILE 17 HB ILE 17 0.576 7.329 -3.405 98 HG12 ILE 17 1HG1 ILE 17 1.874 4.612 -3.703 99 HG13 ILE 17 2HG1 ILE 17 2.722 6.077 -3.219 100 HG21 ILE 17 1HG2 ILE 17 -0.559 4.965 -4.849 101 HG22 ILE 17 2HG2 ILE 17 -0.775 5.149 -3.109 102 HG23 ILE 17 3HG2 ILE 17 -1.388 6.384 -4.209 103 HD11 ILE 17 1HD1 ILE 17 1.168 6.226 -1.271 104 HD12 ILE 17 2HD1 ILE 17 0.557 4.634 -1.721 105 HD13 ILE 17 3HD1 ILE 17 2.247 4.831 -1.261 106 H ARG 18 H ARG 18 0.147 5.219 -7.036 107 HA ARG 18 HA ARG 18 -2.034 7.086 -7.650 108 HB2 ARG 18 1HB ARG 18 -0.549 5.531 -9.771 109 HB3 ARG 18 2HB ARG 18 -1.810 6.732 -10.015 110 HG2 ARG 18 1HG ARG 18 -0.403 8.500 -9.564 111 HG3 ARG 18 2HG ARG 18 0.717 7.505 -8.631 112 HD2 ARG 18 1HD ARG 18 1.138 6.298 -10.881 113 HD3 ARG 18 2HD ARG 18 0.413 7.735 -11.602 114 HE ARG 18 HE ARG 18 2.389 8.572 -9.819 115 HH11 ARG 18 2HH1 ARG 18 2.119 6.825 -12.818 116 HH12 ARG 18 1HH1 ARG 18 3.684 7.302 -13.388 117 HH21 ARG 18 2HH2 ARG 18 4.451 9.207 -10.559 118 HH22 ARG 18 1HH2 ARG 18 5.010 8.657 -12.102 119 H GLN 19 H GLN 19 -3.999 6.153 -7.999 120 HA GLN 19 HA GLN 19 -4.180 3.294 -7.435 121 HB2 GLN 19 1HB GLN 19 -5.592 4.636 -6.058 122 HB3 GLN 19 2HB GLN 19 -6.219 5.516 -7.445 123 HG2 GLN 19 1HG GLN 19 -7.049 3.155 -8.194 124 HG3 GLN 19 2HG GLN 19 -6.878 2.778 -6.481 125 HE21 GLN 19 1HE2 GLN 19 -9.030 3.684 -8.722 126 HE22 GLN 19 2HE2 GLN 19 -10.154 4.557 -7.742 127 H GLU 20 H GLU 20 -3.936 2.096 -9.226 128 HA GLU 20 HA GLU 20 -4.559 2.858 -11.838 129 HB2 GLU 20 1HB GLU 20 -3.976 0.289 -10.466 130 HB3 GLU 20 2HB GLU 20 -4.741 0.191 -12.046 131 HG2 GLU 20 1HG GLU 20 -2.869 1.794 -12.802 132 HG3 GLU 20 2HG GLU 20 -2.061 1.295 -11.317 133 H ARG 21 H ARG 21 -6.346 0.485 -9.858 134 HA ARG 21 HA ARG 21 -8.868 1.572 -10.809 135 HB2 ARG 21 1HB ARG 21 -8.187 -1.340 -11.243 136 HB3 ARG 21 2HB ARG 21 -9.692 -0.537 -11.669 137 HG2 ARG 21 1HG ARG 21 -7.055 0.289 -12.839 138 HG3 ARG 21 2HG ARG 21 -8.046 -0.989 -13.545 139 HD2 ARG 21 1HD ARG 21 -9.919 0.606 -13.727 140 HD3 ARG 21 2HD ARG 21 -8.874 1.875 -13.091 141 HE ARG 21 HE ARG 21 -7.797 1.987 -15.129 142 HH11 ARG 21 2HH1 ARG 21 -9.944 -0.753 -15.050 143 HH12 ARG 21 1HH1 ARG 21 -9.826 -1.059 -16.751 144 HH21 ARG 21 2HH2 ARG 21 -7.635 1.594 -17.370 145 HH22 ARG 21 1HH2 ARG 21 -8.512 0.276 -18.070 146 H ALA 22 H ALA 22 -10.637 1.030 -9.514 147 HA ALA 22 HA ALA 22 -9.977 -0.430 -7.039 148 HB1 ALA 22 1HB ALA 22 -11.875 1.178 -6.127 149 HB2 ALA 22 2HB ALA 22 -10.180 1.666 -6.175 150 HB3 ALA 22 3HB ALA 22 -11.288 2.202 -7.439 151 H GLY 23 H GLY 23 -10.947 -2.362 -7.332 152 HA2 GLY 23 1HA GLY 23 -13.760 -2.354 -8.229 153 HA3 GLY 23 2HA GLY 23 -12.652 -3.702 -8.442 154 H GLN 24 H GLN 24 -14.938 -4.413 -7.396 155 HA GLN 24 HA GLN 24 -15.384 -4.116 -4.671 156 HB2 GLN 24 1HB GLN 24 -16.136 -6.124 -6.722 157 HB3 GLN 24 2HB GLN 24 -16.303 -6.612 -5.040 158 HG2 GLN 24 1HG GLN 24 -18.358 -5.731 -5.330 159 HG3 GLN 24 2HG GLN 24 -17.510 -4.250 -4.888 160 HE21 GLN 24 1HE2 GLN 24 -19.894 -4.339 -6.366 161 HE22 GLN 24 2HE2 GLN 24 -19.573 -3.724 -7.948 162 H THR 25 H THR 25 -14.521 -4.958 -2.866 163 HA THR 25 HA THR 25 -12.810 -5.813 -1.586 164 HB THR 25 HB THR 25 -12.817 -8.201 -1.459 165 HG1 THR 25 1HG THR 25 -14.354 -8.844 -3.583 166 HG21 THR 25 1HG2 THR 25 -15.068 -6.719 -1.222 167 HG22 THR 25 2HG2 THR 25 -14.980 -8.439 -0.843 168 HG23 THR 25 3HG2 THR 25 -15.593 -7.912 -2.410 169 H SER 26 H SER 26 -11.898 -4.667 -4.096 170 HA SER 26 HA SER 26 -9.279 -5.893 -4.160 171 HB2 SER 26 1HB SER 26 -9.267 -6.119 -6.639 172 HB3 SER 26 2HB SER 26 -10.401 -7.220 -5.858 173 HG SER 26 HG SER 26 -11.907 -5.273 -6.286 174 H VAL 27 H VAL 27 -7.669 -4.511 -4.898 175 HA VAL 27 HA VAL 27 -8.344 -1.963 -6.079 176 HB VAL 27 HB VAL 27 -7.110 -2.042 -3.321 177 HG11 VAL 27 1HG1 VAL 27 -7.737 0.288 -5.133 178 HG12 VAL 27 2HG1 VAL 27 -7.171 0.410 -3.465 179 HG13 VAL 27 3HG1 VAL 27 -6.131 -0.298 -4.702 180 HG21 VAL 27 1HG2 VAL 27 -9.429 -2.388 -3.059 181 HG22 VAL 27 2HG2 VAL 27 -9.169 -0.670 -2.758 182 HG23 VAL 27 3HG2 VAL 27 -9.826 -1.204 -4.305 183 H SER 28 H SER 28 -6.740 -1.291 -7.363 184 HA SER 28 HA SER 28 -4.174 -2.701 -7.191 185 HB2 SER 28 1HB SER 28 -5.338 -2.860 -9.342 186 HB3 SER 28 2HB SER 28 -5.378 -1.101 -9.464 187 HG SER 28 HG SER 28 -2.873 -1.751 -9.041 188 H LEU 29 H LEU 29 -2.352 -1.684 -6.645 189 HA LEU 29 HA LEU 29 -2.417 1.257 -6.458 190 HB2 LEU 29 1HB LEU 29 -0.912 -0.721 -4.752 191 HB3 LEU 29 2HB LEU 29 -0.774 1.031 -4.631 192 HG LEU 29 HG LEU 29 -3.281 -0.559 -4.086 193 HD11 LEU 29 1HD1 LEU 29 -2.855 0.079 -1.732 194 HD12 LEU 29 2HD1 LEU 29 -1.278 0.698 -2.218 195 HD13 LEU 29 3HD1 LEU 29 -1.641 -1.019 -2.389 196 HD21 LEU 29 1HD2 LEU 29 -4.229 1.488 -3.314 197 HD22 LEU 29 2HD2 LEU 29 -3.589 1.776 -4.932 198 HD23 LEU 29 3HD2 LEU 29 -2.699 2.341 -3.518 199 H LEU 30 H LEU 30 -0.848 2.392 -7.445 200 HA LEU 30 HA LEU 30 1.447 0.913 -8.545 201 HB2 LEU 30 1HB LEU 30 -0.518 1.716 -10.123 202 HB3 LEU 30 2HB LEU 30 0.347 3.248 -10.020 203 HG LEU 30 HG LEU 30 2.386 2.060 -10.853 204 HD11 LEU 30 1HD1 LEU 30 1.957 -0.101 -12.039 205 HD12 LEU 30 2HD1 LEU 30 0.404 -0.179 -11.207 206 HD13 LEU 30 3HD1 LEU 30 1.903 -0.199 -10.278 207 HD21 LEU 30 1HD2 LEU 30 1.646 2.005 -13.175 208 HD22 LEU 30 2HD2 LEU 30 0.967 3.397 -12.330 209 HD23 LEU 30 3HD2 LEU 30 -0.037 1.981 -12.649 210 H TRP 31 H TRP 31 3.045 1.598 -7.233 211 HA TRP 31 HA TRP 31 3.360 4.504 -6.868 212 HB2 TRP 31 1HB TRP 31 4.643 3.994 -4.846 213 HB3 TRP 31 2HB TRP 31 3.038 3.273 -4.764 214 HD1 TRP 31 HD TRP 31 6.722 2.369 -4.869 215 HE1 TRP 31 1HE TRP 31 6.981 -0.156 -4.443 216 HE3 TRP 31 3HE TRP 31 1.804 0.996 -5.113 217 HZ2 TRP 31 2HZ TRP 31 5.320 -2.429 -4.238 218 HZ3 TRP 31 3HZ TRP 31 1.224 -1.374 -4.792 219 HH2 TRP 31 HH TRP 31 2.947 -3.049 -4.364 220 H GLN 32 H GLN 32 5.332 5.462 -7.279 221 HA GLN 32 HA GLN 32 7.106 3.930 -9.010 222 HB2 GLN 32 1HB GLN 32 7.096 5.864 -10.130 223 HB3 GLN 32 2HB GLN 32 6.297 6.691 -8.800 224 HG2 GLN 32 1HG GLN 32 8.221 7.896 -8.923 225 HG3 GLN 32 2HG GLN 32 8.706 6.663 -7.759 226 HE21 GLN 32 1HE2 GLN 32 9.910 8.342 -10.141 227 HE22 GLN 32 2HE2 GLN 32 10.948 7.188 -10.899 228 H GLU 33 H GLU 33 9.337 3.754 -8.690 229 HA GLU 33 HA GLU 33 10.220 3.185 -6.139 230 HB2 GLU 33 1HB GLU 33 11.415 3.439 -8.773 231 HB3 GLU 33 2HB GLU 33 12.523 3.956 -7.510 232 HG2 GLU 33 1HG GLU 33 11.962 1.760 -6.349 233 HG3 GLU 33 2HG GLU 33 11.237 1.274 -7.881 234 HA PRO 34 HA PRO 34 11.071 7.013 -4.161 235 HB2 PRO 34 1HB PRO 34 13.106 6.274 -2.523 236 HB3 PRO 34 2HB PRO 34 11.428 5.791 -2.248 237 HG2 PRO 34 1HG PRO 34 13.665 4.243 -3.498 238 HG3 PRO 34 2HG PRO 34 12.443 3.701 -2.332 239 HD2 PRO 34 1HD PRO 34 12.261 3.178 -4.982 240 HD3 PRO 34 2HD PRO 34 10.833 3.425 -3.957 241 H GLU 35 H GLU 35 12.260 8.796 -4.555 242 HA GLU 35 HA GLU 35 14.098 8.962 -6.596 243 HB2 GLU 35 1HB GLU 35 14.803 11.145 -5.494 244 HB3 GLU 35 2HB GLU 35 13.095 10.971 -5.872 245 HG2 GLU 35 1HG GLU 35 12.472 10.902 -3.693 246 HG3 GLU 35 2HG GLU 35 13.974 10.142 -3.171 247 H GLN 36 H GLN 36 14.675 8.398 -3.168 248 HA GLN 36 HA GLN 36 17.444 7.670 -3.828 249 HB2 GLN 36 1HB GLN 36 16.484 9.541 -1.696 250 HB3 GLN 36 2HB GLN 36 17.937 8.587 -1.423 251 HG2 GLN 36 1HG GLN 36 17.726 10.115 -3.958 252 HG3 GLN 36 2HG GLN 36 18.026 11.006 -2.467 253 HE21 GLN 36 1HE2 GLN 36 19.781 10.720 -4.716 254 HE22 GLN 36 2HE2 GLN 36 21.214 9.942 -4.144 255 HA PRO 37 HA PRO 37 15.697 4.054 -1.750 256 HB2 PRO 37 1HB PRO 37 17.592 2.344 -2.675 257 HB3 PRO 37 2HB PRO 37 16.199 2.847 -3.640 258 HG2 PRO 37 1HG PRO 37 19.013 3.866 -3.702 259 HG3 PRO 37 2HG PRO 37 17.927 3.497 -5.054 260 HD2 PRO 37 1HD PRO 37 18.351 6.022 -4.175 261 HD3 PRO 37 2HD PRO 37 16.800 5.498 -4.860 262 H ASN 38 H ASN 38 19.075 5.107 -1.796 263 HA ASN 38 HA ASN 38 20.736 5.020 -0.243 264 HB2 ASN 38 1HB ASN 38 18.267 5.199 1.464 265 HB3 ASN 38 2HB ASN 38 19.863 5.081 2.201 266 HD21 ASN 38 1HD2 ASN 38 18.366 7.252 2.715 267 HD22 ASN 38 2HD2 ASN 38 19.010 8.641 1.914 268 H GLY 39 H GLY 39 20.236 2.583 -1.384 269 HA2 GLY 39 1HA GLY 39 21.591 0.680 -0.312 270 HA3 GLY 39 2HA GLY 39 20.278 0.671 0.857 271 H ILE 40 H ILE 40 20.085 -1.593 0.168 272 HA ILE 40 HA ILE 40 18.834 -1.952 -2.456 273 HB ILE 40 HB ILE 40 19.748 -4.020 -0.453 274 HG12 ILE 40 1HG1 ILE 40 21.371 -4.441 -2.488 275 HG13 ILE 40 2HG1 ILE 40 21.006 -2.759 -2.860 276 HG21 ILE 40 1HG2 ILE 40 19.485 -5.157 -2.994 277 HG22 ILE 40 2HG2 ILE 40 18.474 -5.448 -1.580 278 HG23 ILE 40 3HG2 ILE 40 18.023 -4.204 -2.745 279 HD11 ILE 40 1HD1 ILE 40 23.064 -3.406 -1.382 280 HD12 ILE 40 2HD1 ILE 40 22.099 -1.975 -1.015 281 HD13 ILE 40 3HD1 ILE 40 21.855 -3.462 -0.099 282 H ILE 41 H ILE 41 16.707 -2.169 -2.672 283 HA ILE 41 HA ILE 41 15.054 -2.321 -0.277 284 HB ILE 41 HB ILE 41 14.260 -1.877 -3.157 285 HG12 ILE 41 1HG1 ILE 41 14.100 0.201 -1.011 286 HG13 ILE 41 2HG1 ILE 41 15.655 -0.120 -1.772 287 HG21 ILE 41 1HG2 ILE 41 12.413 -1.034 -1.064 288 HG22 ILE 41 2HG2 ILE 41 12.109 -1.926 -2.554 289 HG23 ILE 41 3HG2 ILE 41 12.668 -2.778 -1.115 290 HD11 ILE 41 1HD1 ILE 41 13.505 1.476 -2.709 291 HD12 ILE 41 2HD1 ILE 41 15.089 1.210 -3.439 292 HD13 ILE 41 3HD1 ILE 41 13.744 0.139 -3.833 293 H LEU 42 H LEU 42 14.598 -4.291 0.454 294 HA LEU 42 HA LEU 42 14.708 -6.646 -1.105 295 HB2 LEU 42 1HB LEU 42 13.326 -6.204 1.537 296 HB3 LEU 42 2HB LEU 42 13.769 -7.762 0.842 297 HG LEU 42 HG LEU 42 15.892 -5.735 1.417 298 HD11 LEU 42 1HD1 LEU 42 15.923 -7.354 3.616 299 HD12 LEU 42 2HD1 LEU 42 14.197 -7.074 3.384 300 HD13 LEU 42 3HD1 LEU 42 15.294 -5.706 3.570 301 HD21 LEU 42 1HD2 LEU 42 15.807 -8.364 0.428 302 HD22 LEU 42 2HD2 LEU 42 16.483 -8.465 2.054 303 HD23 LEU 42 3HD2 LEU 42 17.230 -7.412 0.851 304 H GLU 43 H GLU 43 11.868 -5.158 0.470 305 HA GLU 43 HA GLU 43 10.263 -5.578 -1.893 306 HB2 GLU 43 1HB GLU 43 8.570 -6.961 -0.741 307 HB3 GLU 43 2HB GLU 43 10.113 -7.786 -0.906 308 HG2 GLU 43 1HG GLU 43 10.640 -7.163 1.433 309 HG3 GLU 43 2HG GLU 43 9.020 -6.484 1.575 310 H TYR 44 H TYR 44 8.097 -4.662 -1.677 311 HA TYR 44 HA TYR 44 8.117 -2.410 0.199 312 HB2 TYR 44 1HB TYR 44 6.714 -2.908 -2.416 313 HB3 TYR 44 2HB TYR 44 6.194 -1.623 -1.332 314 HD1 TYR 44 1HD TYR 44 8.889 -2.793 -3.535 315 HD2 TYR 44 2HD TYR 44 7.528 0.366 -1.031 316 HE1 TYR 44 1HE TYR 44 10.608 -1.310 -4.482 317 HE2 TYR 44 2HE TYR 44 9.242 1.858 -1.972 318 HH TYR 44 HH TYR 44 10.948 1.164 -4.770 319 H GLU 45 H GLU 45 6.595 -2.130 1.735 320 HA GLU 45 HA GLU 45 4.637 -4.291 2.067 321 HB2 GLU 45 1HB GLU 45 6.093 -2.495 3.943 322 HB3 GLU 45 2HB GLU 45 4.488 -3.036 4.413 323 HG2 GLU 45 1HG GLU 45 5.797 -4.655 5.356 324 HG3 GLU 45 2HG GLU 45 5.410 -5.394 3.803 325 H ILE 46 H ILE 46 2.480 -3.917 2.154 326 HA ILE 46 HA ILE 46 1.596 -1.128 1.787 327 HB ILE 46 HB ILE 46 0.296 -3.617 0.671 328 HG12 ILE 46 1HG1 ILE 46 1.417 -1.450 -1.043 329 HG13 ILE 46 2HG1 ILE 46 2.547 -2.578 -0.301 330 HG21 ILE 46 1HG2 ILE 46 -0.599 -0.857 0.994 331 HG22 ILE 46 2HG2 ILE 46 -0.750 -1.463 -0.654 332 HG23 ILE 46 3HG2 ILE 46 -1.528 -2.321 0.676 333 HD11 ILE 46 1HD1 ILE 46 1.763 -3.134 -2.629 334 HD12 ILE 46 2HD1 ILE 46 1.598 -4.414 -1.427 335 HD13 ILE 46 3HD1 ILE 46 0.186 -3.479 -1.920 336 H LYS 47 H LYS 47 0.539 -0.395 3.496 337 HA LYS 47 HA LYS 47 -0.877 -2.286 5.233 338 HB2 LYS 47 1HB LYS 47 0.755 -0.853 6.339 339 HB3 LYS 47 2HB LYS 47 -0.036 0.581 5.699 340 HG2 LYS 47 1HG LYS 47 -1.803 0.426 7.156 341 HG3 LYS 47 2HG LYS 47 -1.605 -1.314 7.380 342 HD2 LYS 47 1HD LYS 47 0.270 -1.010 8.795 343 HD3 LYS 47 2HD LYS 47 0.414 0.694 8.356 344 HE2 LYS 47 1HE LYS 47 -1.513 1.277 9.577 345 HE3 LYS 47 2HE LYS 47 -2.029 -0.403 9.719 346 HZ1 LYS 47 1HZ LYS 47 -0.110 -0.817 11.147 347 HZ2 LYS 47 2HZ LYS 47 -1.111 0.383 11.794 348 HZ3 LYS 47 3HZ LYS 47 0.340 0.810 11.036 349 H TYR 48 H TYR 48 -2.979 -2.520 4.891 350 HA TYR 48 HA TYR 48 -4.554 -0.147 4.143 351 HB2 TYR 48 1HB TYR 48 -6.008 -1.667 2.792 352 HB3 TYR 48 2HB TYR 48 -4.374 -1.500 2.159 353 HD1 TYR 48 1HD TYR 48 -2.740 -3.356 2.463 354 HD2 TYR 48 2HD TYR 48 -6.844 -3.777 3.504 355 HE1 TYR 48 1HE TYR 48 -2.479 -5.801 2.479 356 HE2 TYR 48 2HE TYR 48 -6.594 -6.224 3.524 357 HH TYR 48 HH TYR 48 -4.571 -7.876 2.138 358 H TYR 49 H TYR 49 -6.189 0.275 5.470 359 HA TYR 49 HA TYR 49 -7.484 -1.896 6.932 360 HB2 TYR 49 1HB TYR 49 -7.299 -0.733 9.073 361 HB3 TYR 49 2HB TYR 49 -5.701 -1.085 8.424 362 HD1 TYR 49 1HD TYR 49 -8.235 1.667 8.319 363 HD2 TYR 49 2HD TYR 49 -4.126 0.590 8.554 364 HE1 TYR 49 1HE TYR 49 -7.632 4.041 8.537 365 HE2 TYR 49 2HE TYR 49 -3.511 2.962 8.774 366 HH TYR 49 HH TYR 49 -4.360 5.131 8.342 367 H GLU 50 H GLU 50 -9.462 -1.110 8.089 368 HA GLU 50 HA GLU 50 -11.197 0.178 6.352 369 HB2 GLU 50 1HB GLU 50 -11.276 -0.554 9.232 370 HB3 GLU 50 2HB GLU 50 -12.478 0.595 8.663 371 HG2 GLU 50 1HG GLU 50 -13.529 -0.941 7.339 372 HG3 GLU 50 2HG GLU 50 -12.074 -1.911 7.119 373 H LYS 51 H LYS 51 -11.039 2.195 5.637 374 HA LYS 51 HA LYS 51 -9.590 4.283 6.570 375 HB2 LYS 51 1HB LYS 51 -10.601 4.625 4.496 376 HB3 LYS 51 2HB LYS 51 -12.199 4.200 5.094 377 HG2 LYS 51 1HG LYS 51 -12.148 6.547 4.667 378 HG3 LYS 51 2HG LYS 51 -12.203 6.303 6.414 379 HD2 LYS 51 1HD LYS 51 -9.698 6.554 6.417 380 HD3 LYS 51 2HD LYS 51 -9.821 7.055 4.729 381 HE2 LYS 51 1HE LYS 51 -9.881 9.098 5.754 382 HE3 LYS 51 2HE LYS 51 -11.604 8.728 5.712 383 HZ1 LYS 51 1HZ LYS 51 -11.110 7.683 8.019 384 HZ2 LYS 51 2HZ LYS 51 -11.309 9.357 7.882 385 HZ3 LYS 51 3HZ LYS 51 -9.756 8.697 7.996 386 H ASP 52 H ASP 52 -13.009 3.709 7.400 387 HA ASP 52 HA ASP 52 -13.063 5.798 9.349 388 HB2 ASP 52 1HB ASP 52 -14.943 3.684 8.419 389 HB3 ASP 52 2HB ASP 52 -15.230 4.388 10.008 390 H LYS 53 H LYS 53 -12.706 2.287 9.462 391 HA LYS 53 HA LYS 53 -12.315 2.424 12.366 392 HB2 LYS 53 1HB LYS 53 -12.565 -0.039 10.634 393 HB3 LYS 53 2HB LYS 53 -12.626 0.031 12.391 394 HG2 LYS 53 1HG LYS 53 -14.639 1.317 10.559 395 HG3 LYS 53 2HG LYS 53 -14.840 -0.255 11.335 396 HD2 LYS 53 1HD LYS 53 -14.264 2.224 12.928 397 HD3 LYS 53 2HD LYS 53 -15.909 1.787 12.462 398 HE2 LYS 53 1HE LYS 53 -15.881 0.665 14.418 399 HE3 LYS 53 2HE LYS 53 -15.053 -0.565 13.464 400 HZ1 LYS 53 1HZ LYS 53 -12.946 0.269 14.218 401 HZ2 LYS 53 2HZ LYS 53 -13.917 -0.052 15.564 402 HZ3 LYS 53 3HZ LYS 53 -13.687 1.543 15.049 403 H GLU 54 H GLU 54 -10.258 2.934 12.825 404 HA GLU 54 HA GLU 54 -8.097 1.752 11.249 405 HB2 GLU 54 1HB GLU 54 -8.001 3.877 13.397 406 HB3 GLU 54 2HB GLU 54 -6.639 3.345 12.421 407 HG2 GLU 54 1HG GLU 54 -7.213 5.194 11.253 408 HG3 GLU 54 2HG GLU 54 -8.257 4.026 10.445 409 H MET 55 H MET 55 -8.791 2.308 14.707 410 HA MET 55 HA MET 55 -6.871 0.586 15.735 411 HB2 MET 55 1HB MET 55 -9.585 1.173 16.928 412 HB3 MET 55 2HB MET 55 -8.169 0.594 17.795 413 HG2 MET 55 1HG MET 55 -8.452 3.261 16.429 414 HG3 MET 55 2HG MET 55 -8.505 2.962 18.165 415 HE1 MET 55 1HE MET 55 -6.777 3.123 15.004 416 HE2 MET 55 2HE MET 55 -5.195 3.777 15.427 417 HE3 MET 55 3HE MET 55 -5.409 2.036 15.246 418 H GLN 56 H GLN 56 -10.166 -0.081 14.665 419 HA GLN 56 HA GLN 56 -10.805 -2.498 15.561 420 HB2 GLN 56 1HB GLN 56 -12.164 -1.504 13.873 421 HB3 GLN 56 2HB GLN 56 -10.864 -1.576 12.691 422 HG2 GLN 56 1HG GLN 56 -12.534 -3.264 12.233 423 HG3 GLN 56 2HG GLN 56 -11.001 -4.011 12.679 424 HE21 GLN 56 1HE2 GLN 56 -11.231 -5.700 13.937 425 HE22 GLN 56 2HE2 GLN 56 -12.457 -5.930 15.132 426 H SER 57 H SER 57 -8.878 -2.331 12.566 427 HA SER 57 HA SER 57 -6.901 -4.153 13.489 428 HB2 SER 57 1HB SER 57 -8.681 -5.795 13.240 429 HB3 SER 57 2HB SER 57 -9.002 -5.238 11.598 430 HG SER 57 HG SER 57 -6.390 -5.974 12.096 431 H TYR 58 H TYR 58 -5.234 -4.502 11.956 432 HA TYR 58 HA TYR 58 -5.445 -2.861 9.520 433 HB2 TYR 58 1HB TYR 58 -3.346 -1.900 9.865 434 HB3 TYR 58 2HB TYR 58 -4.040 -1.912 11.482 435 HD1 TYR 58 1HD TYR 58 -1.511 -3.392 9.282 436 HD2 TYR 58 2HD TYR 58 -3.161 -3.376 13.203 437 HE1 TYR 58 1HE TYR 58 0.446 -4.636 10.104 438 HE2 TYR 58 2HE TYR 58 -1.209 -4.619 14.036 439 HH TYR 58 HH TYR 58 1.314 -4.854 13.208 440 H SER 59 H SER 59 -4.680 -3.739 7.672 441 HA SER 59 HA SER 59 -3.559 -6.453 7.863 442 HB2 SER 59 1HB SER 59 -5.328 -5.118 5.838 443 HB3 SER 59 2HB SER 59 -4.338 -6.500 5.370 444 HG SER 59 HG SER 59 -6.646 -6.454 6.758 445 H THR 60 H THR 60 -1.790 -7.040 6.603 446 HA THR 60 HA THR 60 -0.349 -4.824 5.302 447 HB THR 60 HB THR 60 1.022 -7.038 6.825 448 HG1 THR 60 1HG THR 60 1.330 -4.831 8.157 449 HG21 THR 60 1HG2 THR 60 1.995 -5.262 4.969 450 HG22 THR 60 2HG2 THR 60 2.954 -6.081 6.202 451 HG23 THR 60 3HG2 THR 60 2.343 -4.453 6.496 452 H LEU 61 H LEU 61 0.827 -5.318 3.461 453 HA LEU 61 HA LEU 61 0.696 -8.080 2.479 454 HB2 LEU 61 1HB LEU 61 -1.178 -6.931 1.477 455 HB3 LEU 61 2HB LEU 61 -0.127 -5.617 0.950 456 HG LEU 61 HG LEU 61 1.073 -7.556 -0.372 457 HD11 LEU 61 1HD1 LEU 61 -0.447 -9.268 0.684 458 HD12 LEU 61 2HD1 LEU 61 -0.343 -9.313 -1.075 459 HD13 LEU 61 3HD1 LEU 61 -1.749 -8.591 -0.293 460 HD21 LEU 61 1HD2 LEU 61 -0.097 -5.517 -1.255 461 HD22 LEU 61 2HD2 LEU 61 -1.570 -6.484 -1.337 462 HD23 LEU 61 3HD2 LEU 61 -0.165 -6.934 -2.303 463 H LYS 62 H LYS 62 2.516 -8.768 1.519 464 HA LYS 62 HA LYS 62 4.693 -6.829 1.211 465 HB2 LYS 62 1HB LYS 62 4.626 -9.816 1.568 466 HB3 LYS 62 2HB LYS 62 6.078 -8.992 1.015 467 HG2 LYS 62 1HG LYS 62 6.248 -9.320 3.370 468 HG3 LYS 62 2HG LYS 62 6.000 -7.599 3.071 469 HD2 LYS 62 1HD LYS 62 3.759 -7.691 3.783 470 HD3 LYS 62 2HD LYS 62 3.717 -9.454 3.689 471 HE2 LYS 62 1HE LYS 62 3.836 -8.782 6.000 472 HE3 LYS 62 2HE LYS 62 5.354 -9.550 5.540 473 HZ1 LYS 62 1HZ LYS 62 6.498 -7.650 5.810 474 HZ2 LYS 62 2HZ LYS 62 5.208 -7.223 6.818 475 HZ3 LYS 62 3HZ LYS 62 5.254 -6.667 5.220 476 H ALA 63 H ALA 63 5.381 -6.227 -0.735 477 HA ALA 63 HA ALA 63 4.760 -7.945 -3.044 478 HB1 ALA 63 1HB ALA 63 3.341 -6.364 -3.725 479 HB2 ALA 63 2HB ALA 63 3.941 -5.199 -2.544 480 HB3 ALA 63 3HB ALA 63 4.773 -5.399 -4.086 481 H VAL 64 H VAL 64 6.452 -8.414 -4.294 482 HA VAL 64 HA VAL 64 9.049 -7.380 -3.640 483 HB VAL 64 HB VAL 64 9.859 -8.852 -5.455 484 HG11 VAL 64 1HG1 VAL 64 9.514 -10.865 -4.307 485 HG12 VAL 64 2HG1 VAL 64 9.334 -9.616 -3.074 486 HG13 VAL 64 3HG1 VAL 64 7.905 -10.384 -3.767 487 HG21 VAL 64 1HG2 VAL 64 8.204 -10.396 -6.512 488 HG22 VAL 64 2HG2 VAL 64 6.919 -9.383 -5.854 489 HG23 VAL 64 3HG2 VAL 64 8.057 -8.715 -7.024 490 H THR 65 H THR 65 6.728 -6.948 -6.244 491 HA THR 65 HA THR 65 8.563 -5.128 -7.626 492 HB THR 65 HB THR 65 7.549 -6.713 -9.107 493 HG1 THR 65 1HG THR 65 7.628 -4.798 -10.158 494 HG21 THR 65 1HG2 THR 65 5.627 -7.343 -7.739 495 HG22 THR 65 2HG2 THR 65 5.112 -6.901 -9.366 496 HG23 THR 65 3HG2 THR 65 4.888 -5.770 -8.032 497 H THR 66 H THR 66 7.467 -3.149 -8.609 498 HA THR 66 HA THR 66 6.285 -1.645 -6.453 499 HB THR 66 HB THR 66 6.424 0.281 -7.976 500 HG1 THR 66 1HG THR 66 7.235 -1.708 -9.843 501 HG21 THR 66 1HG2 THR 66 8.957 -1.361 -8.051 502 HG22 THR 66 2HG2 THR 66 8.402 -0.440 -6.653 503 HG23 THR 66 3HG2 THR 66 8.829 0.395 -8.146 504 H ARG 67 H ARG 67 4.848 -3.834 -8.120 505 HA ARG 67 HA ARG 67 2.370 -2.293 -8.441 506 HB2 ARG 67 1HB ARG 67 3.199 -4.486 -10.342 507 HB3 ARG 67 2HB ARG 67 1.813 -3.413 -10.483 508 HG2 ARG 67 1HG ARG 67 3.342 -1.510 -10.783 509 HG3 ARG 67 2HG ARG 67 4.710 -2.622 -10.703 510 HD2 ARG 67 1HD ARG 67 3.561 -3.864 -12.630 511 HD3 ARG 67 2HD ARG 67 2.581 -2.409 -12.808 512 HE ARG 67 HE ARG 67 5.341 -1.765 -12.754 513 HH11 ARG 67 2HH1 ARG 67 2.865 -3.114 -14.795 514 HH12 ARG 67 1HH1 ARG 67 3.639 -2.639 -16.270 515 HH21 ARG 67 2HH2 ARG 67 6.370 -1.134 -14.689 516 HH22 ARG 67 1HH2 ARG 67 5.634 -1.513 -16.209 517 H ALA 68 H ALA 68 0.784 -3.117 -7.258 518 HA ALA 68 HA ALA 68 0.440 -5.976 -6.993 519 HB1 ALA 68 1HB ALA 68 0.956 -4.293 -4.544 520 HB2 ALA 68 2HB ALA 68 0.475 -5.990 -4.552 521 HB3 ALA 68 3HB ALA 68 2.041 -5.514 -5.208 522 H THR 69 H THR 69 -1.642 -6.564 -6.425 523 HA THR 69 HA THR 69 -3.561 -4.336 -6.214 524 HB THR 69 HB THR 69 -3.947 -7.072 -7.443 525 HG1 THR 69 1HG THR 69 -4.298 -4.594 -8.751 526 HG21 THR 69 1HG2 THR 69 -6.058 -6.690 -6.628 527 HG22 THR 69 2HG2 THR 69 -6.162 -5.819 -8.158 528 HG23 THR 69 3HG2 THR 69 -5.871 -4.938 -6.659 529 H VAL 70 H VAL 70 -4.034 -4.153 -4.100 530 HA VAL 70 HA VAL 70 -4.045 -6.257 -2.232 531 HB VAL 70 HB VAL 70 -5.480 -3.601 -2.089 532 HG11 VAL 70 1HG1 VAL 70 -5.847 -3.950 0.168 533 HG12 VAL 70 2HG1 VAL 70 -6.152 -5.551 -0.509 534 HG13 VAL 70 3HG1 VAL 70 -4.613 -5.204 0.281 535 HG21 VAL 70 1HG2 VAL 70 -3.274 -2.986 -2.256 536 HG22 VAL 70 2HG2 VAL 70 -3.420 -3.204 -0.512 537 HG23 VAL 70 3HG2 VAL 70 -2.689 -4.468 -1.500 538 H SER 71 H SER 71 -5.317 -7.987 -2.581 539 HA SER 71 HA SER 71 -8.169 -7.512 -3.140 540 HB2 SER 71 1HB SER 71 -6.599 -10.059 -3.593 541 HB3 SER 71 2HB SER 71 -8.256 -9.735 -4.101 542 HG SER 71 HG SER 71 -7.474 -8.850 -5.825 543 H GLY 72 H GLY 72 -9.691 -8.232 -1.751 544 HA2 GLY 72 1HA GLY 72 -10.330 -10.008 -0.140 545 HA3 GLY 72 2HA GLY 72 -8.743 -9.782 0.581 546 H LEU 73 H LEU 73 -10.909 -7.232 -0.535 547 HA LEU 73 HA LEU 73 -11.090 -6.292 2.250 548 HB2 LEU 73 1HB LEU 73 -11.433 -4.603 -0.213 549 HB3 LEU 73 2HB LEU 73 -11.203 -4.064 1.448 550 HG LEU 73 HG LEU 73 -9.102 -5.481 -0.187 551 HD11 LEU 73 1HD1 LEU 73 -9.721 -2.580 0.194 552 HD12 LEU 73 2HD1 LEU 73 -9.309 -3.451 -1.283 553 HD13 LEU 73 3HD1 LEU 73 -8.064 -3.119 -0.079 554 HD21 LEU 73 1HD2 LEU 73 -7.748 -4.207 1.710 555 HD22 LEU 73 2HD2 LEU 73 -8.391 -5.832 1.944 556 HD23 LEU 73 3HD2 LEU 73 -9.262 -4.437 2.584 557 H LYS 74 H LYS 74 -13.071 -4.697 2.440 558 HA LYS 74 HA LYS 74 -15.408 -6.283 1.707 559 HB2 LYS 74 1HB LYS 74 -14.965 -4.032 3.663 560 HB3 LYS 74 2HB LYS 74 -16.572 -4.632 3.274 561 HG2 LYS 74 1HG LYS 74 -16.099 -6.764 4.180 562 HG3 LYS 74 2HG LYS 74 -14.374 -6.409 4.292 563 HD2 LYS 74 1HD LYS 74 -16.301 -4.666 5.754 564 HD3 LYS 74 2HD LYS 74 -15.929 -6.263 6.409 565 HE2 LYS 74 1HE LYS 74 -14.290 -5.055 7.432 566 HE3 LYS 74 2HE LYS 74 -13.447 -5.469 5.940 567 HZ1 LYS 74 1HZ LYS 74 -14.102 -2.919 6.944 568 HZ2 LYS 74 2HZ LYS 74 -14.867 -3.134 5.451 569 HZ3 LYS 74 3HZ LYS 74 -13.190 -3.315 5.575 570 HA PRO 75 HA PRO 75 -16.662 -3.572 -1.528 571 HB2 PRO 75 1HB PRO 75 -19.316 -4.140 -1.555 572 HB3 PRO 75 2HB PRO 75 -18.090 -5.251 -2.176 573 HG2 PRO 75 1HG PRO 75 -19.489 -5.262 0.470 574 HG3 PRO 75 2HG PRO 75 -19.120 -6.622 -0.606 575 HD2 PRO 75 1HD PRO 75 -17.634 -6.054 1.585 576 HD3 PRO 75 2HD PRO 75 -16.936 -6.765 0.115 577 H GLY 76 H GLY 76 -17.573 -1.559 -1.841 578 HA2 GLY 76 1HA GLY 76 -18.264 0.538 -1.200 579 HA3 GLY 76 2HA GLY 76 -19.575 -0.322 -0.408 580 H THR 77 H THR 77 -16.127 -0.449 0.367 581 HA THR 77 HA THR 77 -16.671 0.983 2.874 582 HB THR 77 HB THR 77 -15.137 -1.618 2.687 583 HG1 THR 77 1HG THR 77 -17.092 -1.821 4.406 584 HG21 THR 77 1HG2 THR 77 -15.868 -0.558 5.321 585 HG22 THR 77 2HG2 THR 77 -14.692 0.425 4.448 586 HG23 THR 77 3HG2 THR 77 -14.355 -1.276 4.768 587 H ARG 78 H ARG 78 -15.397 2.711 2.847 588 HA ARG 78 HA ARG 78 -13.183 3.116 1.224 589 HB2 ARG 78 1HB ARG 78 -14.293 4.434 3.640 590 HB3 ARG 78 2HB ARG 78 -12.623 4.809 3.233 591 HG2 ARG 78 1HG ARG 78 -13.607 5.228 0.849 592 HG3 ARG 78 2HG ARG 78 -15.123 5.416 1.733 593 HD2 ARG 78 1HD ARG 78 -14.012 7.101 3.175 594 HD3 ARG 78 2HD ARG 78 -12.571 6.962 2.169 595 HE ARG 78 HE ARG 78 -15.036 8.318 1.509 596 HH11 ARG 78 2HH1 ARG 78 -12.069 6.936 0.323 597 HH12 ARG 78 1HH1 ARG 78 -12.068 7.867 -1.139 598 HH21 ARG 78 2HH2 ARG 78 -15.045 9.549 -0.411 599 HH22 ARG 78 1HH2 ARG 78 -13.761 9.354 -1.555 600 H TYR 79 H TYR 79 -10.936 3.174 1.652 601 HA TYR 79 HA TYR 79 -9.988 1.794 4.044 602 HB2 TYR 79 1HB TYR 79 -9.861 0.731 1.278 603 HB3 TYR 79 2HB TYR 79 -8.401 0.567 2.248 604 HD1 TYR 79 2HD TYR 79 -8.493 -0.704 4.397 605 HD2 TYR 79 1HD TYR 79 -11.762 -0.635 1.675 606 HE1 TYR 79 2HE TYR 79 -9.442 -2.690 5.495 607 HE2 TYR 79 1HE TYR 79 -12.721 -2.620 2.766 608 HH TYR 79 HH TYR 79 -12.191 -4.383 4.174 609 H VAL 80 H VAL 80 -7.757 2.123 4.489 610 HA VAL 80 HA VAL 80 -6.626 4.449 3.076 611 HB VAL 80 HB VAL 80 -6.161 3.563 5.928 612 HG11 VAL 80 1HG1 VAL 80 -5.293 6.232 5.322 613 HG12 VAL 80 2HG1 VAL 80 -4.374 4.882 5.990 614 HG13 VAL 80 3HG1 VAL 80 -4.510 5.079 4.242 615 HG21 VAL 80 1HG2 VAL 80 -7.642 5.140 6.629 616 HG22 VAL 80 2HG2 VAL 80 -7.349 6.193 5.245 617 HG23 VAL 80 3HG2 VAL 80 -8.374 4.769 5.067 618 H PHE 81 H PHE 81 -5.071 3.852 1.719 619 HA PHE 81 HA PHE 81 -3.417 1.524 2.336 620 HB2 PHE 81 1HB PHE 81 -3.773 3.162 -0.176 621 HB3 PHE 81 2HB PHE 81 -2.577 1.879 -0.025 622 HD1 PHE 81 1HD PHE 81 -3.376 -0.462 0.456 623 HD2 PHE 81 2HD PHE 81 -6.001 2.683 -0.698 624 HE1 PHE 81 1HE PHE 81 -5.072 -2.122 -0.194 625 HE2 PHE 81 2HE PHE 81 -7.702 1.028 -1.350 626 HZ PHE 81 HZ PHE 81 -7.239 -1.377 -1.097 627 H GLN 82 H GLN 82 -1.138 1.603 2.310 628 HA GLN 82 HA GLN 82 0.193 4.170 2.187 629 HB2 GLN 82 1HB GLN 82 -0.193 2.655 4.744 630 HB3 GLN 82 2HB GLN 82 1.271 3.599 4.499 631 HG2 GLN 82 1HG GLN 82 -0.311 5.534 3.932 632 HG3 GLN 82 2HG GLN 82 -1.563 4.542 4.677 633 HE21 GLN 82 1HE2 GLN 82 0.007 7.112 5.357 634 HE22 GLN 82 2HE2 GLN 82 0.418 6.886 7.020 635 H VAL 83 H VAL 83 1.756 3.654 0.797 636 HA VAL 83 HA VAL 83 3.048 1.046 0.933 637 HB VAL 83 HB VAL 83 3.477 3.297 -1.036 638 HG11 VAL 83 1HG1 VAL 83 4.854 1.911 -2.253 639 HG12 VAL 83 2HG1 VAL 83 5.280 1.453 -0.603 640 HG13 VAL 83 3HG1 VAL 83 4.181 0.443 -1.545 641 HG21 VAL 83 1HG2 VAL 83 2.185 0.899 -2.032 642 HG22 VAL 83 2HG2 VAL 83 1.247 1.681 -0.760 643 HG23 VAL 83 3HG2 VAL 83 1.710 2.589 -2.198 644 H ARG 84 H ARG 84 5.204 0.714 1.366 645 HA ARG 84 HA ARG 84 6.898 3.000 1.995 646 HB2 ARG 84 1HB ARG 84 7.459 2.242 4.203 647 HB3 ARG 84 2HB ARG 84 5.708 2.379 4.102 648 HG2 ARG 84 1HG ARG 84 5.501 -0.016 3.841 649 HG3 ARG 84 2HG ARG 84 7.257 -0.188 3.832 650 HD2 ARG 84 1HD ARG 84 7.160 0.975 6.130 651 HD3 ARG 84 2HD ARG 84 5.445 0.565 6.099 652 HE ARG 84 HE ARG 84 6.916 -1.743 5.520 653 HH11 ARG 84 2HH1 ARG 84 6.340 0.442 8.169 654 HH12 ARG 84 1HH1 ARG 84 6.604 -0.760 9.389 655 HH21 ARG 84 2HH2 ARG 84 7.266 -3.334 7.117 656 HH22 ARG 84 1HH2 ARG 84 7.132 -2.907 8.789 657 H ALA 85 H ALA 85 9.161 2.411 2.260 658 HA ALA 85 HA ALA 85 9.807 -0.083 0.829 659 HB1 ALA 85 1HB ALA 85 10.675 1.424 -0.615 660 HB2 ALA 85 2HB ALA 85 10.859 2.668 0.622 661 HB3 ALA 85 3HB ALA 85 12.041 1.365 0.500 662 H ARG 86 H ARG 86 10.950 -1.573 1.877 663 HA ARG 86 HA ARG 86 12.334 -0.776 4.353 664 HB2 ARG 86 1HB ARG 86 10.450 -2.265 4.778 665 HB3 ARG 86 2HB ARG 86 11.084 -3.430 3.624 666 HG2 ARG 86 1HG ARG 86 12.759 -2.608 5.949 667 HG3 ARG 86 2HG ARG 86 11.452 -3.772 6.176 668 HD2 ARG 86 1HD ARG 86 12.461 -5.057 4.233 669 HD3 ARG 86 2HD ARG 86 13.866 -4.004 4.399 670 HE ARG 86 HE ARG 86 14.445 -5.114 6.334 671 HH11 ARG 86 2HH1 ARG 86 11.256 -6.073 5.319 672 HH12 ARG 86 1HH1 ARG 86 11.156 -7.394 6.436 673 HH21 ARG 86 2HH2 ARG 86 14.325 -6.849 7.809 674 HH22 ARG 86 1HH2 ARG 86 12.902 -7.834 7.852 675 H THR 87 H THR 87 14.440 -1.284 4.614 676 HA THR 87 HA THR 87 15.714 -2.972 2.566 677 HB THR 87 HB THR 87 17.661 -1.491 2.539 678 HG1 THR 87 1HG THR 87 16.093 0.048 4.348 679 HG21 THR 87 1HG2 THR 87 16.134 -1.016 0.809 680 HG22 THR 87 2HG2 THR 87 16.511 0.552 1.523 681 HG23 THR 87 3HG2 THR 87 14.992 -0.253 1.914 682 H SER 88 H SER 88 17.631 -4.059 3.221 683 HA SER 88 HA SER 88 17.620 -5.418 5.538 684 HB2 SER 88 1HB SER 88 19.991 -5.854 5.257 685 HB3 SER 88 2HB SER 88 19.228 -5.788 3.668 686 HG SER 88 HG SER 88 21.099 -4.573 3.601 687 H ALA 89 H ALA 89 19.129 -2.246 5.080 688 HA ALA 89 HA ALA 89 20.359 -1.910 7.523 689 HB1 ALA 89 1HB ALA 89 18.923 0.156 5.861 690 HB2 ALA 89 2HB ALA 89 20.031 0.516 7.185 691 HB3 ALA 89 3HB ALA 89 20.621 -0.306 5.741 692 H GLY 90 H GLY 90 17.059 -0.801 6.708 693 HA2 GLY 90 1HA GLY 90 16.089 -1.595 9.307 694 HA3 GLY 90 2HA GLY 90 16.205 0.146 9.100 695 H CYS 91 H CYS 91 14.142 0.795 8.949 696 HA CYS 91 HA CYS 91 12.606 -0.140 6.656 697 HB2 CYS 91 1HB CYS 91 11.798 -1.580 8.428 698 HB3 CYS 91 2HB CYS 91 11.561 -0.199 9.493 699 HG CYS 91 HG CYS 91 9.448 -1.554 7.416 700 H GLY 92 H GLY 92 11.717 1.523 5.614 701 HA2 GLY 92 1HA GLY 92 12.006 4.182 6.621 702 HA3 GLY 92 2HA GLY 92 11.234 3.720 5.112 703 H ARG 93 H ARG 93 9.899 5.632 6.007 704 HA ARG 93 HA ARG 93 7.900 4.754 7.952 705 HB2 ARG 93 1HB ARG 93 8.427 7.444 6.679 706 HB3 ARG 93 2HB ARG 93 7.110 7.128 7.800 707 HG2 ARG 93 1HG ARG 93 8.821 6.428 9.483 708 HG3 ARG 93 2HG ARG 93 10.060 6.996 8.362 709 HD2 ARG 93 1HD ARG 93 9.723 8.805 9.799 710 HD3 ARG 93 2HD ARG 93 8.778 9.212 8.367 711 HE ARG 93 HE ARG 93 6.924 9.211 9.684 712 HH11 ARG 93 2HH1 ARG 93 9.352 7.237 11.208 713 HH12 ARG 93 1HH1 ARG 93 8.403 6.933 12.626 714 HH21 ARG 93 2HH2 ARG 93 5.664 8.819 11.545 715 HH22 ARG 93 1HH2 ARG 93 6.305 7.834 12.816 716 H PHE 94 H PHE 94 5.621 5.043 7.505 717 HA PHE 94 HA PHE 94 4.891 3.987 4.964 718 HB2 PHE 94 1HB PHE 94 3.493 4.707 7.475 719 HB3 PHE 94 2HB PHE 94 2.513 4.715 6.013 720 HD1 PHE 94 1HD PHE 94 3.156 2.545 4.448 721 HD2 PHE 94 2HD PHE 94 3.341 2.783 8.694 722 HE1 PHE 94 1HE PHE 94 2.920 0.100 4.592 723 HE2 PHE 94 2HE PHE 94 3.107 0.339 8.845 724 HZ PHE 94 HZ PHE 94 2.897 -1.006 6.793 725 H SER 95 H SER 95 4.169 4.976 3.175 726 HA SER 95 HA SER 95 4.625 7.648 2.661 727 HB2 SER 95 1HB SER 95 3.068 7.326 0.695 728 HB3 SER 95 2HB SER 95 4.357 6.130 0.827 729 HG SER 95 HG SER 95 1.902 5.560 0.548 730 H GLN 96 H GLN 96 2.716 9.100 1.750 731 HA GLN 96 HA GLN 96 1.324 10.078 3.965 732 HB2 GLN 96 1HB GLN 96 1.250 10.573 1.034 733 HB3 GLN 96 2HB GLN 96 -0.114 11.149 1.984 734 HG2 GLN 96 1HG GLN 96 1.546 12.316 3.464 735 HG3 GLN 96 2HG GLN 96 2.778 11.905 2.273 736 HE21 GLN 96 1HE2 GLN 96 0.789 14.284 3.266 737 HE22 GLN 96 2HE2 GLN 96 0.624 15.175 1.795 738 H ALA 97 H ALA 97 -0.810 9.951 4.622 739 HA ALA 97 HA ALA 97 -2.099 7.494 4.412 740 HB1 ALA 97 1HB ALA 97 -3.298 8.348 6.070 741 HB2 ALA 97 2HB ALA 97 -2.498 9.899 5.811 742 HB3 ALA 97 3HB ALA 97 -4.014 9.541 4.986 743 H MET 98 H MET 98 -2.785 6.653 2.542 744 HA MET 98 HA MET 98 -4.022 8.364 0.533 745 HB2 MET 98 1HB MET 98 -2.362 6.776 -0.250 746 HB3 MET 98 2HB MET 98 -3.248 5.443 0.478 747 HG2 MET 98 1HG MET 98 -5.091 5.798 -1.059 748 HG3 MET 98 2HG MET 98 -4.256 7.182 -1.761 749 HE1 MET 98 1HE MET 98 -3.872 6.573 -4.249 750 HE2 MET 98 2HE MET 98 -3.785 4.891 -4.771 751 HE3 MET 98 3HE MET 98 -5.182 5.460 -3.855 752 H GLU 99 H GLU 99 -6.109 8.062 -0.267 753 HA GLU 99 HA GLU 99 -7.864 6.392 1.411 754 HB2 GLU 99 1HB GLU 99 -8.300 9.166 0.323 755 HB3 GLU 99 2HB GLU 99 -9.641 8.148 0.828 756 HG2 GLU 99 1HG GLU 99 -8.634 7.987 3.072 757 HG3 GLU 99 2HG GLU 99 -7.361 9.089 2.551 758 H VAL 100 H VAL 100 -8.919 4.861 0.346 759 HA VAL 100 HA VAL 100 -9.772 5.315 -2.408 760 HB VAL 100 HB VAL 100 -8.033 2.990 -1.579 761 HG11 VAL 100 1HG1 VAL 100 -9.998 2.362 -3.020 762 HG12 VAL 100 2HG1 VAL 100 -9.319 3.406 -4.269 763 HG13 VAL 100 3HG1 VAL 100 -8.414 2.001 -3.704 764 HG21 VAL 100 1HG2 VAL 100 -7.105 5.324 -2.303 765 HG22 VAL 100 2HG2 VAL 100 -6.389 3.847 -2.946 766 HG23 VAL 100 3HG2 VAL 100 -7.532 4.770 -3.922 767 H GLU 101 H GLU 101 -11.623 4.240 -2.962 768 HA GLU 101 HA GLU 101 -12.848 2.604 -0.840 769 HB2 GLU 101 1HB GLU 101 -13.845 4.907 -1.653 770 HB3 GLU 101 2HB GLU 101 -14.478 3.927 -2.967 771 HG2 GLU 101 1HG GLU 101 -15.363 2.397 -1.081 772 HG3 GLU 101 2HG GLU 101 -15.108 3.805 -0.051 773 H THR 102 H THR 102 -14.033 0.759 -1.419 774 HA THR 102 HA THR 102 -13.102 -0.497 -3.875 775 HB THR 102 HB THR 102 -14.024 -2.570 -2.964 776 HG1 THR 102 1HG THR 102 -14.663 -1.374 -0.522 777 HG21 THR 102 1HG2 THR 102 -11.990 -0.971 -1.705 778 HG22 THR 102 2HG2 THR 102 -12.043 -2.717 -1.951 779 HG23 THR 102 3HG2 THR 102 -12.775 -2.006 -0.513 780 H GLY 103 H GLY 103 -14.888 -2.129 -4.781 781 HA2 GLY 103 1HA GLY 103 -16.855 -0.466 -6.004 782 HA3 GLY 103 2HA GLY 103 -16.696 -2.205 -6.204 783 H LYS 104 H LYS 104 -18.972 -0.201 -5.601 784 HA LYS 104 HA LYS 104 -19.997 -1.147 -3.074 785 HB2 LYS 104 1HB LYS 104 -21.111 0.651 -5.222 786 HB3 LYS 104 2HB LYS 104 -22.054 0.169 -3.817 787 HG2 LYS 104 1HG LYS 104 -19.366 1.376 -3.395 788 HG3 LYS 104 2HG LYS 104 -20.717 2.420 -3.842 789 HD2 LYS 104 1HD LYS 104 -21.164 0.456 -1.662 790 HD3 LYS 104 2HD LYS 104 -20.137 1.847 -1.308 791 HE2 LYS 104 1HE LYS 104 -22.143 2.769 -0.778 792 HE3 LYS 104 2HE LYS 104 -22.145 3.123 -2.505 793 HZ1 LYS 104 1HZ LYS 104 -23.829 1.342 -0.994 794 HZ2 LYS 104 2HZ LYS 104 -23.216 0.651 -2.411 795 HZ3 LYS 104 3HZ LYS 104 -24.107 2.087 -2.488 796 HA PRO 105 HA PRO 105 -22.127 -4.690 -4.589 797 HB2 PRO 105 1HB PRO 105 -24.012 -4.917 -2.649 798 HB3 PRO 105 2HB PRO 105 -22.313 -5.331 -2.391 799 HG2 PRO 105 1HG PRO 105 -23.788 -2.833 -1.650 800 HG3 PRO 105 2HG PRO 105 -22.608 -3.758 -0.703 801 HD2 PRO 105 1HD PRO 105 -21.953 -1.492 -2.032 802 HD3 PRO 105 2HD PRO 105 -20.808 -2.829 -1.802 803 H SER 106 H SER 106 -23.651 -4.968 -6.095 804 HA SER 106 HA SER 106 -25.179 -3.074 -7.247 805 HB2 SER 106 1HB SER 106 -24.894 -5.499 -7.971 806 HB3 SER 106 2HB SER 106 -26.235 -5.881 -6.891 807 HG SER 106 HG SER 106 -26.291 -4.095 -9.098 808 H GLY 107 H GLY 107 -26.509 -5.341 -4.826 809 HA2 GLY 107 1HA GLY 107 -28.451 -3.232 -4.105 810 HA3 GLY 107 2HA GLY 107 -28.884 -4.933 -4.179 811 HA PRO 108 HA PRO 108 -27.743 -3.801 0.200 812 HB2 PRO 108 1HB PRO 108 -30.019 -4.769 1.319 813 HB3 PRO 108 2HB PRO 108 -29.876 -3.116 0.711 814 HG2 PRO 108 1HG PRO 108 -31.100 -5.515 -0.596 815 HG3 PRO 108 2HG PRO 108 -31.700 -3.848 -0.531 816 HD2 PRO 108 1HD PRO 108 -30.436 -4.858 -2.702 817 HD3 PRO 108 2HD PRO 108 -30.315 -3.149 -2.235 818 H SER 109 H SER 109 -26.135 -5.420 0.096 819 HA SER 109 HA SER 109 -26.418 -8.128 -0.182 820 HB2 SER 109 1HB SER 109 -24.223 -7.159 -0.032 821 HB3 SER 109 2HB SER 109 -24.525 -6.595 1.612 822 HG SER 109 HG SER 109 -24.323 -8.615 2.363 823 H SER 110 H SER 110 -26.424 -6.387 2.932 824 HA SER 110 HA SER 110 -26.949 -8.482 4.625 825 HB2 SER 110 1HB SER 110 -26.570 -5.977 5.153 826 HB3 SER 110 2HB SER 110 -28.321 -5.830 5.005 827 HG SER 110 HG SER 110 -28.575 -6.889 6.825 828 H GLY 111 H GLY 111 -29.377 -6.424 3.014 829 HA2 GLY 111 1HA GLY 111 -31.302 -7.497 1.977 830 HA3 GLY 111 2HA GLY 111 -31.283 -8.661 3.293 Start of MODEL 20 1 H1 GLY 1 H GLY 1 26.545 -1.929 22.342 2 HA2 GLY 1 1HA GLY 1 25.659 -4.039 22.996 3 HA3 GLY 1 2HA GLY 1 24.331 -2.913 23.239 4 H SER 2 H SER 2 22.876 -4.678 22.941 5 HA SER 2 HA SER 2 22.792 -6.258 20.610 6 HB2 SER 2 1HB SER 2 20.530 -6.864 21.319 7 HB3 SER 2 2HB SER 2 21.621 -6.854 22.705 8 HG SER 2 HG SER 2 19.955 -4.674 21.983 9 H SER 3 H SER 3 21.185 -3.225 21.473 10 HA SER 3 HA SER 3 20.366 -2.950 18.654 11 HB2 SER 3 1HB SER 3 18.475 -1.589 19.428 12 HB3 SER 3 2HB SER 3 18.432 -3.193 20.160 13 HG SER 3 HG SER 3 19.000 -2.355 22.075 14 H GLY 4 H GLY 4 21.689 -1.567 17.674 15 HA2 GLY 4 1HA GLY 4 21.964 1.118 18.660 16 HA3 GLY 4 2HA GLY 4 23.462 0.204 18.763 17 H SER 5 H SER 5 24.776 0.441 17.094 18 HA SER 5 HA SER 5 23.919 1.746 14.700 19 HB2 SER 5 1HB SER 5 26.139 2.209 15.463 20 HB3 SER 5 2HB SER 5 26.545 0.493 15.520 21 HG SER 5 HG SER 5 26.004 2.038 13.200 22 H SER 6 H SER 6 23.212 0.880 12.863 23 HA SER 6 HA SER 6 23.162 -2.030 12.624 24 HB2 SER 6 1HB SER 6 21.072 -0.663 12.316 25 HB3 SER 6 2HB SER 6 21.797 0.013 10.858 26 HG SER 6 HG SER 6 20.371 -2.067 10.878 27 H GLY 7 H GLY 7 24.053 0.813 10.673 28 HA2 GLY 7 1HA GLY 7 26.417 0.306 9.689 29 HA3 GLY 7 2HA GLY 7 25.523 -0.947 8.842 30 H GLN 8 H GLN 8 23.727 -0.242 7.456 31 HA GLN 8 HA GLN 8 24.506 2.130 5.976 32 HB2 GLN 8 1HB GLN 8 22.579 -0.119 5.442 33 HB3 GLN 8 2HB GLN 8 22.636 1.311 4.420 34 HG2 GLN 8 1HG GLN 8 25.152 0.791 4.221 35 HG3 GLN 8 2HG GLN 8 24.705 -0.809 4.811 36 HE21 GLN 8 1HE2 GLN 8 24.469 -2.216 3.245 37 HE22 GLN 8 2HE2 GLN 8 23.840 -1.898 1.667 38 H ALA 9 H ALA 9 22.704 3.537 5.098 39 HA ALA 9 HA ALA 9 21.109 4.452 7.350 40 HB1 ALA 9 1HB ALA 9 22.097 5.629 4.833 41 HB2 ALA 9 2HB ALA 9 20.535 6.217 5.404 42 HB3 ALA 9 3HB ALA 9 21.955 6.337 6.443 43 H ALA 10 H ALA 10 18.847 5.238 6.860 44 HA ALA 10 HA ALA 10 17.373 3.049 5.655 45 HB1 ALA 10 1HB ALA 10 15.392 4.165 6.607 46 HB2 ALA 10 2HB ALA 10 16.641 3.858 7.814 47 HB3 ALA 10 3HB ALA 10 16.424 5.482 7.162 48 HA PRO 11 HA PRO 11 16.441 5.001 1.831 49 HB2 PRO 11 1HB PRO 11 14.004 3.925 1.310 50 HB3 PRO 11 2HB PRO 11 15.506 3.002 1.190 51 HG2 PRO 11 1HG PRO 11 13.501 3.078 3.412 52 HG3 PRO 11 2HG PRO 11 14.339 1.683 2.708 53 HD2 PRO 11 1HD PRO 11 15.112 2.823 5.039 54 HD3 PRO 11 2HD PRO 11 16.263 2.070 3.917 55 H SER 12 H SER 12 14.615 6.218 0.703 56 HA SER 12 HA SER 12 13.617 8.224 2.554 57 HB2 SER 12 1HB SER 12 14.768 8.623 0.234 58 HB3 SER 12 2HB SER 12 13.154 8.320 -0.409 59 HG SER 12 HG SER 12 14.012 10.581 0.449 60 H GLN 13 H GLN 13 11.369 9.181 1.734 61 HA GLN 13 HA GLN 13 9.490 6.936 1.899 62 HB2 GLN 13 1HB GLN 13 9.318 8.605 3.675 63 HB3 GLN 13 2HB GLN 13 9.093 9.876 2.480 64 HG2 GLN 13 1HG GLN 13 7.198 7.610 2.394 65 HG3 GLN 13 2HG GLN 13 7.074 8.710 3.766 66 HE21 GLN 13 1HE2 GLN 13 6.104 10.623 3.497 67 HE22 GLN 13 2HE2 GLN 13 5.531 11.238 1.987 68 H VAL 14 H VAL 14 8.278 6.393 0.213 69 HA VAL 14 HA VAL 14 8.470 7.823 -2.256 70 HB VAL 14 HB VAL 14 7.057 6.117 -3.194 71 HG11 VAL 14 1HG1 VAL 14 8.591 4.467 -1.271 72 HG12 VAL 14 2HG1 VAL 14 8.545 4.408 -3.035 73 HG13 VAL 14 3HG1 VAL 14 9.493 5.652 -2.217 74 HG21 VAL 14 1HG2 VAL 14 6.181 5.824 -0.409 75 HG22 VAL 14 2HG2 VAL 14 5.303 5.537 -1.911 76 HG23 VAL 14 3HG2 VAL 14 6.396 4.305 -1.280 77 H VAL 15 H VAL 15 7.397 9.643 -2.633 78 HA VAL 15 HA VAL 15 4.776 10.058 -1.384 79 HB VAL 15 HB VAL 15 5.026 12.405 -1.932 80 HG11 VAL 15 1HG1 VAL 15 5.978 11.902 0.145 81 HG12 VAL 15 2HG1 VAL 15 7.364 11.090 -0.585 82 HG13 VAL 15 3HG1 VAL 15 7.216 12.845 -0.683 83 HG21 VAL 15 1HG2 VAL 15 6.713 11.493 -3.946 84 HG22 VAL 15 2HG2 VAL 15 6.359 13.173 -3.543 85 HG23 VAL 15 3HG2 VAL 15 7.768 12.377 -2.844 86 H VAL 16 H VAL 16 5.510 8.446 -3.895 87 HA VAL 16 HA VAL 16 3.611 9.775 -5.717 88 HB VAL 16 HB VAL 16 5.850 7.881 -6.443 89 HG11 VAL 16 1HG1 VAL 16 4.767 9.305 -8.664 90 HG12 VAL 16 2HG1 VAL 16 4.830 7.562 -8.389 91 HG13 VAL 16 3HG1 VAL 16 3.453 8.499 -7.807 92 HG21 VAL 16 1HG2 VAL 16 7.062 9.693 -7.238 93 HG22 VAL 16 2HG2 VAL 16 5.647 10.744 -7.297 94 HG23 VAL 16 3HG2 VAL 16 6.365 10.318 -5.743 95 H ILE 17 H ILE 17 1.694 8.826 -5.370 96 HA ILE 17 HA ILE 17 1.527 5.930 -5.751 97 HB ILE 17 HB ILE 17 0.604 7.421 -3.334 98 HG12 ILE 17 1HG1 ILE 17 1.664 4.617 -3.745 99 HG13 ILE 17 2HG1 ILE 17 2.645 6.010 -3.304 100 HG21 ILE 17 1HG2 ILE 17 -0.826 5.210 -3.002 101 HG22 ILE 17 2HG2 ILE 17 -1.489 6.648 -3.776 102 HG23 ILE 17 3HG2 ILE 17 -0.907 5.306 -4.761 103 HD11 ILE 17 1HD1 ILE 17 0.529 4.643 -1.676 104 HD12 ILE 17 2HD1 ILE 17 2.247 4.824 -1.316 105 HD13 ILE 17 3HD1 ILE 17 1.181 6.228 -1.261 106 H ARG 18 H ARG 18 -0.023 5.412 -7.149 107 HA ARG 18 HA ARG 18 -2.323 7.212 -7.461 108 HB2 ARG 18 1HB ARG 18 -0.875 5.964 -9.799 109 HB3 ARG 18 2HB ARG 18 -2.185 7.136 -9.853 110 HG2 ARG 18 1HG ARG 18 -0.813 8.893 -9.220 111 HG3 ARG 18 2HG ARG 18 0.406 7.820 -8.528 112 HD2 ARG 18 1HD ARG 18 0.961 7.026 -10.787 113 HD3 ARG 18 2HD ARG 18 -0.233 8.135 -11.460 114 HE ARG 18 HE ARG 18 1.948 9.237 -9.852 115 HH11 ARG 18 2HH1 ARG 18 0.441 8.779 -12.957 116 HH12 ARG 18 1HH1 ARG 18 1.363 10.024 -13.734 117 HH21 ARG 18 2HH2 ARG 18 3.168 10.878 -10.864 118 HH22 ARG 18 1HH2 ARG 18 2.914 11.216 -12.542 119 H GLN 19 H GLN 19 -4.253 6.229 -8.037 120 HA GLN 19 HA GLN 19 -4.340 3.359 -7.561 121 HB2 GLN 19 1HB GLN 19 -5.921 4.684 -6.318 122 HB3 GLN 19 2HB GLN 19 -6.510 5.446 -7.789 123 HG2 GLN 19 1HG GLN 19 -7.030 2.928 -8.432 124 HG3 GLN 19 2HG GLN 19 -7.081 2.762 -6.678 125 HE21 GLN 19 1HE2 GLN 19 -8.337 4.677 -5.632 126 HE22 GLN 19 2HE2 GLN 19 -9.879 5.000 -6.341 127 H GLU 20 H GLU 20 -4.104 2.055 -9.249 128 HA GLU 20 HA GLU 20 -4.511 2.875 -11.938 129 HB2 GLU 20 1HB GLU 20 -3.747 0.367 -10.551 130 HB3 GLU 20 2HB GLU 20 -4.428 0.197 -12.163 131 HG2 GLU 20 1HG GLU 20 -2.223 2.147 -11.696 132 HG3 GLU 20 2HG GLU 20 -1.858 0.428 -11.834 133 H ARG 21 H ARG 21 -6.248 0.502 -9.918 134 HA ARG 21 HA ARG 21 -8.759 1.274 -11.140 135 HB2 ARG 21 1HB ARG 21 -7.838 -1.598 -11.315 136 HB3 ARG 21 2HB ARG 21 -9.344 -0.930 -11.929 137 HG2 ARG 21 1HG ARG 21 -7.892 0.541 -13.417 138 HG3 ARG 21 2HG ARG 21 -6.562 -0.530 -12.971 139 HD2 ARG 21 1HD ARG 21 -7.822 -2.446 -13.821 140 HD3 ARG 21 2HD ARG 21 -9.155 -1.378 -14.258 141 HE ARG 21 HE ARG 21 -6.657 -0.629 -15.455 142 HH11 ARG 21 2HH1 ARG 21 -9.460 -2.674 -15.746 143 HH12 ARG 21 1HH1 ARG 21 -9.324 -2.837 -17.466 144 HH21 ARG 21 2HH2 ARG 21 -6.468 -0.836 -17.719 145 HH22 ARG 21 1HH2 ARG 21 -7.622 -1.791 -18.587 146 H ALA 22 H ALA 22 -10.612 0.390 -10.037 147 HA ALA 22 HA ALA 22 -10.053 -0.894 -7.462 148 HB1 ALA 22 1HB ALA 22 -11.211 1.800 -7.878 149 HB2 ALA 22 2HB ALA 22 -11.935 0.792 -6.624 150 HB3 ALA 22 3HB ALA 22 -10.216 1.182 -6.559 151 H GLY 23 H GLY 23 -11.324 -2.607 -7.216 152 HA2 GLY 23 1HA GLY 23 -14.012 -2.540 -8.437 153 HA3 GLY 23 2HA GLY 23 -12.973 -3.950 -8.589 154 H GLN 24 H GLN 24 -14.746 -5.128 -7.616 155 HA GLN 24 HA GLN 24 -15.656 -4.584 -4.991 156 HB2 GLN 24 1HB GLN 24 -15.885 -6.834 -6.913 157 HB3 GLN 24 2HB GLN 24 -16.172 -7.207 -5.219 158 HG2 GLN 24 1HG GLN 24 -18.083 -5.981 -5.124 159 HG3 GLN 24 2HG GLN 24 -17.547 -4.844 -6.360 160 HE21 GLN 24 1HE2 GLN 24 -19.972 -5.453 -6.770 161 HE22 GLN 24 2HE2 GLN 24 -20.205 -6.674 -7.970 162 H THR 25 H THR 25 -14.652 -4.860 -3.120 163 HA THR 25 HA THR 25 -12.957 -5.358 -1.654 164 HB THR 25 HB THR 25 -12.848 -7.646 -1.040 165 HG1 THR 25 1HG THR 25 -12.360 -8.441 -3.184 166 HG21 THR 25 1HG2 THR 25 -15.234 -8.393 -1.197 167 HG22 THR 25 2HG2 THR 25 -15.530 -7.032 -2.279 168 HG23 THR 25 3HG2 THR 25 -15.027 -6.742 -0.614 169 H SER 26 H SER 26 -12.035 -4.636 -4.314 170 HA SER 26 HA SER 26 -9.359 -5.761 -4.119 171 HB2 SER 26 1HB SER 26 -9.293 -6.165 -6.602 172 HB3 SER 26 2HB SER 26 -10.337 -7.273 -5.714 173 HG SER 26 HG SER 26 -11.675 -6.650 -7.252 174 H VAL 27 H VAL 27 -7.811 -4.296 -4.558 175 HA VAL 27 HA VAL 27 -8.457 -1.920 -6.125 176 HB VAL 27 HB VAL 27 -7.418 -1.778 -3.292 177 HG11 VAL 27 1HG1 VAL 27 -6.328 0.038 -4.006 178 HG12 VAL 27 2HG1 VAL 27 -7.191 0.061 -5.544 179 HG13 VAL 27 3HG1 VAL 27 -7.918 0.792 -4.113 180 HG21 VAL 27 1HG2 VAL 27 -9.942 -2.073 -3.823 181 HG22 VAL 27 2HG2 VAL 27 -9.441 -0.831 -2.675 182 HG23 VAL 27 3HG2 VAL 27 -9.854 -0.386 -4.331 183 H SER 28 H SER 28 -6.720 -1.029 -7.167 184 HA SER 28 HA SER 28 -4.171 -2.470 -6.862 185 HB2 SER 28 1HB SER 28 -5.227 -2.716 -9.072 186 HB3 SER 28 2HB SER 28 -5.238 -0.963 -9.263 187 HG SER 28 HG SER 28 -2.911 -1.078 -9.055 188 H LEU 29 H LEU 29 -2.272 -1.364 -6.612 189 HA LEU 29 HA LEU 29 -2.485 1.561 -6.317 190 HB2 LEU 29 1HB LEU 29 -0.802 -0.352 -4.704 191 HB3 LEU 29 2HB LEU 29 -0.784 1.404 -4.549 192 HG LEU 29 HG LEU 29 -3.181 -0.337 -3.979 193 HD11 LEU 29 1HD1 LEU 29 -1.404 1.017 -1.969 194 HD12 LEU 29 2HD1 LEU 29 -1.198 -0.667 -2.450 195 HD13 LEU 29 3HD1 LEU 29 -2.696 -0.148 -1.678 196 HD21 LEU 29 1HD2 LEU 29 -3.912 1.837 -4.548 197 HD22 LEU 29 2HD2 LEU 29 -2.608 2.596 -3.636 198 HD23 LEU 29 3HD2 LEU 29 -3.913 1.768 -2.786 199 H LEU 30 H LEU 30 -0.632 2.796 -6.854 200 HA LEU 30 HA LEU 30 1.466 1.389 -8.347 201 HB2 LEU 30 1HB LEU 30 -0.440 3.416 -9.354 202 HB3 LEU 30 2HB LEU 30 1.239 3.583 -9.865 203 HG LEU 30 HG LEU 30 -0.750 1.461 -10.534 204 HD11 LEU 30 1HD1 LEU 30 -0.539 3.101 -12.189 205 HD12 LEU 30 2HD1 LEU 30 0.464 1.767 -12.758 206 HD13 LEU 30 3HD1 LEU 30 1.215 3.179 -12.015 207 HD21 LEU 30 1HD2 LEU 30 1.342 0.233 -11.479 208 HD22 LEU 30 2HD2 LEU 30 0.870 -0.004 -9.796 209 HD23 LEU 30 3HD2 LEU 30 2.195 1.091 -10.195 210 H TRP 31 H TRP 31 3.306 1.874 -7.361 211 HA TRP 31 HA TRP 31 3.809 4.676 -6.634 212 HB2 TRP 31 1HB TRP 31 4.824 4.043 -4.547 213 HB3 TRP 31 2HB TRP 31 3.217 3.326 -4.609 214 HD1 TRP 31 HD TRP 31 6.917 2.391 -4.626 215 HE1 TRP 31 1HE TRP 31 7.133 -0.142 -4.221 216 HE3 TRP 31 3HE TRP 31 1.981 1.097 -4.930 217 HZ2 TRP 31 2HZ TRP 31 5.435 -2.390 -4.053 218 HZ3 TRP 31 3HZ TRP 31 1.361 -1.266 -4.636 219 HH2 TRP 31 HH TRP 31 3.054 -2.972 -4.207 220 H GLN 32 H GLN 32 6.155 5.131 -6.330 221 HA GLN 32 HA GLN 32 7.806 3.407 -8.056 222 HB2 GLN 32 1HB GLN 32 8.773 5.268 -9.107 223 HB3 GLN 32 2HB GLN 32 7.059 5.654 -9.036 224 HG2 GLN 32 1HG GLN 32 7.356 7.356 -7.579 225 HG3 GLN 32 2HG GLN 32 8.721 6.580 -6.778 226 HE21 GLN 32 1HE2 GLN 32 10.322 7.998 -6.888 227 HE22 GLN 32 2HE2 GLN 32 10.882 8.774 -8.326 228 H GLU 33 H GLU 33 10.169 3.687 -7.696 229 HA GLU 33 HA GLU 33 10.878 3.158 -5.070 230 HB2 GLU 33 1HB GLU 33 12.375 3.880 -7.537 231 HB3 GLU 33 2HB GLU 33 13.237 3.990 -6.009 232 HG2 GLU 33 1HG GLU 33 13.122 1.725 -5.622 233 HG3 GLU 33 2HG GLU 33 11.716 1.512 -6.663 234 HA PRO 34 HA PRO 34 11.018 7.057 -3.041 235 HB2 PRO 34 1HB PRO 34 12.835 6.492 -1.105 236 HB3 PRO 34 2HB PRO 34 11.182 5.867 -1.082 237 HG2 PRO 34 1HG PRO 34 13.706 4.517 -1.960 238 HG3 PRO 34 2HG PRO 34 12.371 3.871 -0.987 239 HD2 PRO 34 1HD PRO 34 12.639 3.339 -3.628 240 HD3 PRO 34 2HD PRO 34 11.056 3.461 -2.835 241 H GLU 35 H GLU 35 12.192 8.937 -3.020 242 HA GLU 35 HA GLU 35 13.991 9.626 -4.843 243 HB2 GLU 35 1HB GLU 35 14.127 10.529 -1.961 244 HB3 GLU 35 2HB GLU 35 14.874 11.359 -3.318 245 HG2 GLU 35 1HG GLU 35 12.543 11.530 -4.304 246 HG3 GLU 35 2HG GLU 35 11.954 11.027 -2.721 247 H GLN 36 H GLN 36 15.129 8.691 -1.591 248 HA GLN 36 HA GLN 36 17.553 7.607 -2.866 249 HB2 GLN 36 1HB GLN 36 18.729 8.216 -0.719 250 HB3 GLN 36 2HB GLN 36 18.230 9.575 -1.717 251 HG2 GLN 36 1HG GLN 36 16.344 9.997 -0.286 252 HG3 GLN 36 2HG GLN 36 16.700 8.555 0.663 253 HE21 GLN 36 1HE2 GLN 36 18.419 11.440 -0.494 254 HE22 GLN 36 2HE2 GLN 36 19.190 11.792 1.011 255 HA PRO 37 HA PRO 37 15.763 3.975 -0.854 256 HB2 PRO 37 1HB PRO 37 17.232 2.196 -2.285 257 HB3 PRO 37 2HB PRO 37 15.764 2.955 -2.913 258 HG2 PRO 37 1HG PRO 37 18.628 3.670 -3.411 259 HG3 PRO 37 2HG PRO 37 17.281 3.581 -4.561 260 HD2 PRO 37 1HD PRO 37 18.170 5.925 -3.537 261 HD3 PRO 37 2HD PRO 37 16.468 5.653 -3.962 262 H ASN 38 H ASN 38 19.105 4.923 -1.255 263 HA ASN 38 HA ASN 38 20.996 4.505 -0.056 264 HB2 ASN 38 1HB ASN 38 18.810 4.474 1.985 265 HB3 ASN 38 2HB ASN 38 20.438 4.018 2.480 266 HD21 ASN 38 1HD2 ASN 38 18.529 6.428 2.818 267 HD22 ASN 38 2HD2 ASN 38 19.573 7.782 2.569 268 H GLY 39 H GLY 39 20.009 2.298 -1.504 269 HA2 GLY 39 1HA GLY 39 21.460 0.213 -1.197 270 HA3 GLY 39 2HA GLY 39 20.556 0.030 0.299 271 H ILE 40 H ILE 40 20.493 -2.044 -1.379 272 HA ILE 40 HA ILE 40 18.432 -1.975 -3.321 273 HB ILE 40 HB ILE 40 19.606 -4.323 -1.829 274 HG12 ILE 40 1HG1 ILE 40 20.551 -4.563 -4.318 275 HG13 ILE 40 2HG1 ILE 40 20.345 -2.816 -4.288 276 HG21 ILE 40 1HG2 ILE 40 18.627 -5.205 -4.270 277 HG22 ILE 40 2HG2 ILE 40 17.925 -5.506 -2.681 278 HG23 ILE 40 3HG2 ILE 40 17.364 -4.142 -3.648 279 HD11 ILE 40 1HD1 ILE 40 22.421 -4.417 -3.154 280 HD12 ILE 40 2HD1 ILE 40 22.305 -2.661 -3.284 281 HD13 ILE 40 3HD1 ILE 40 21.619 -3.489 -1.886 282 H ILE 41 H ILE 41 16.286 -2.278 -3.168 283 HA ILE 41 HA ILE 41 15.136 -2.450 -0.494 284 HB ILE 41 HB ILE 41 13.878 -1.845 -3.169 285 HG12 ILE 41 1HG1 ILE 41 14.030 -0.002 -0.803 286 HG13 ILE 41 2HG1 ILE 41 15.404 -0.160 -1.892 287 HG21 ILE 41 1HG2 ILE 41 11.812 -1.439 -2.028 288 HG22 ILE 41 2HG2 ILE 41 12.356 -3.066 -1.623 289 HG23 ILE 41 3HG2 ILE 41 12.559 -1.754 -0.462 290 HD11 ILE 41 1HD1 ILE 41 13.630 0.319 -3.737 291 HD12 ILE 41 2HD1 ILE 41 12.711 1.001 -2.394 292 HD13 ILE 41 3HD1 ILE 41 14.308 1.639 -2.785 293 H LEU 42 H LEU 42 14.880 -4.459 0.250 294 HA LEU 42 HA LEU 42 14.733 -6.808 -1.188 295 HB2 LEU 42 1HB LEU 42 13.322 -6.287 1.422 296 HB3 LEU 42 2HB LEU 42 13.857 -7.845 0.797 297 HG LEU 42 HG LEU 42 15.831 -5.668 1.392 298 HD11 LEU 42 1HD1 LEU 42 14.807 -7.704 3.364 299 HD12 LEU 42 2HD1 LEU 42 14.450 -5.978 3.404 300 HD13 LEU 42 3HD1 LEU 42 16.106 -6.541 3.629 301 HD21 LEU 42 1HD2 LEU 42 16.135 -8.651 1.598 302 HD22 LEU 42 2HD2 LEU 42 17.396 -7.422 1.490 303 HD23 LEU 42 3HD2 LEU 42 16.388 -7.777 0.086 304 H GLU 43 H GLU 43 11.972 -5.026 0.206 305 HA GLU 43 HA GLU 43 10.337 -5.470 -2.079 306 HB2 GLU 43 1HB GLU 43 8.640 -6.905 -0.980 307 HB3 GLU 43 2HB GLU 43 10.177 -7.723 -1.224 308 HG2 GLU 43 1HG GLU 43 9.728 -6.378 1.379 309 HG3 GLU 43 2HG GLU 43 8.846 -7.869 1.054 310 H TYR 44 H TYR 44 8.140 -4.609 -1.783 311 HA TYR 44 HA TYR 44 8.170 -2.431 0.178 312 HB2 TYR 44 1HB TYR 44 6.735 -2.839 -2.435 313 HB3 TYR 44 2HB TYR 44 6.209 -1.609 -1.290 314 HD1 TYR 44 1HD TYR 44 9.153 -2.738 -3.261 315 HD2 TYR 44 2HD TYR 44 7.255 0.485 -1.234 316 HE1 TYR 44 1HE TYR 44 10.835 -1.188 -4.164 317 HE2 TYR 44 2HE TYR 44 8.932 2.045 -2.133 318 HH TYR 44 HH TYR 44 11.335 1.005 -4.483 319 H GLU 45 H GLU 45 6.295 -1.928 1.407 320 HA GLU 45 HA GLU 45 4.411 -4.170 1.722 321 HB2 GLU 45 1HB GLU 45 6.077 -2.774 3.735 322 HB3 GLU 45 2HB GLU 45 4.420 -3.124 4.207 323 HG2 GLU 45 1HG GLU 45 4.737 -5.458 3.883 324 HG3 GLU 45 2HG GLU 45 6.308 -5.199 3.128 325 H ILE 46 H ILE 46 2.310 -3.654 1.701 326 HA ILE 46 HA ILE 46 1.610 -0.794 1.717 327 HB ILE 46 HB ILE 46 0.103 -3.092 0.463 328 HG12 ILE 46 1HG1 ILE 46 0.750 -1.474 -1.592 329 HG13 ILE 46 2HG1 ILE 46 2.133 -1.176 -0.544 330 HG21 ILE 46 1HG2 ILE 46 -1.552 -1.643 -0.154 331 HG22 ILE 46 2HG2 ILE 46 -1.082 -0.924 1.386 332 HG23 ILE 46 3HG2 ILE 46 -0.486 -0.238 -0.125 333 HD11 ILE 46 1HD1 ILE 46 3.011 -2.950 -1.570 334 HD12 ILE 46 2HD1 ILE 46 1.980 -3.888 -0.488 335 HD13 ILE 46 3HD1 ILE 46 1.441 -3.529 -2.128 336 H LYS 47 H LYS 47 0.134 -0.030 3.126 337 HA LYS 47 HA LYS 47 -1.069 -1.968 4.988 338 HB2 LYS 47 1HB LYS 47 0.436 -0.559 6.183 339 HB3 LYS 47 2HB LYS 47 -0.177 0.885 5.387 340 HG2 LYS 47 1HG LYS 47 -2.427 0.201 6.528 341 HG3 LYS 47 2HG LYS 47 -1.365 -0.707 7.607 342 HD2 LYS 47 1HD LYS 47 -0.059 1.445 7.906 343 HD3 LYS 47 2HD LYS 47 -1.395 2.259 7.089 344 HE2 LYS 47 1HE LYS 47 -2.132 2.497 9.219 345 HE3 LYS 47 2HE LYS 47 -2.787 0.889 8.911 346 HZ1 LYS 47 1HZ LYS 47 -1.426 1.313 11.043 347 HZ2 LYS 47 2HZ LYS 47 -0.079 1.186 10.029 348 HZ3 LYS 47 3HZ LYS 47 -1.156 -0.111 10.170 349 H TYR 48 H TYR 48 -3.163 -2.279 4.659 350 HA TYR 48 HA TYR 48 -4.809 0.018 3.825 351 HB2 TYR 48 1HB TYR 48 -6.274 -1.662 2.659 352 HB3 TYR 48 2HB TYR 48 -4.679 -1.457 1.943 353 HD1 TYR 48 1HD TYR 48 -2.962 -3.212 2.220 354 HD2 TYR 48 2HD TYR 48 -6.942 -3.748 3.625 355 HE1 TYR 48 1HE TYR 48 -2.570 -5.635 2.387 356 HE2 TYR 48 2HE TYR 48 -6.561 -6.172 3.797 357 HH TYR 48 HH TYR 48 -4.371 -7.798 2.321 358 H TYR 49 H TYR 49 -6.230 0.580 5.321 359 HA TYR 49 HA TYR 49 -7.468 -1.515 6.968 360 HB2 TYR 49 1HB TYR 49 -7.256 -0.181 8.964 361 HB3 TYR 49 2HB TYR 49 -5.659 -0.361 8.247 362 HD1 TYR 49 1HD TYR 49 -8.541 1.994 8.411 363 HD2 TYR 49 2HD TYR 49 -4.353 1.522 7.832 364 HE1 TYR 49 1HE TYR 49 -8.272 4.439 8.413 365 HE2 TYR 49 2HE TYR 49 -4.071 3.966 7.834 366 HH TYR 49 HH TYR 49 -6.584 6.105 8.781 367 H GLU 50 H GLU 50 -9.522 -0.888 7.922 368 HA GLU 50 HA GLU 50 -11.281 0.259 6.101 369 HB2 GLU 50 1HB GLU 50 -11.427 -0.520 8.964 370 HB3 GLU 50 2HB GLU 50 -12.687 0.549 8.364 371 HG2 GLU 50 1HG GLU 50 -13.585 -1.038 7.001 372 HG3 GLU 50 2HG GLU 50 -12.049 -1.873 6.776 373 H LYS 51 H LYS 51 -11.193 2.289 5.397 374 HA LYS 51 HA LYS 51 -10.004 4.466 6.573 375 HB2 LYS 51 1HB LYS 51 -10.642 4.641 4.300 376 HB3 LYS 51 2HB LYS 51 -12.326 4.283 4.663 377 HG2 LYS 51 1HG LYS 51 -12.304 6.569 4.231 378 HG3 LYS 51 2HG LYS 51 -12.315 6.466 5.993 379 HD2 LYS 51 1HD LYS 51 -9.792 6.663 5.884 380 HD3 LYS 51 2HD LYS 51 -9.990 7.082 4.181 381 HE2 LYS 51 1HE LYS 51 -9.814 9.090 5.537 382 HE3 LYS 51 2HE LYS 51 -11.421 8.968 4.822 383 HZ1 LYS 51 1HZ LYS 51 -10.828 9.326 7.478 384 HZ2 LYS 51 2HZ LYS 51 -11.324 7.713 7.373 385 HZ3 LYS 51 3HZ LYS 51 -12.342 8.947 6.825 386 H ASP 52 H ASP 52 -13.470 3.647 6.708 387 HA ASP 52 HA ASP 52 -14.106 5.726 8.541 388 HB2 ASP 52 1HB ASP 52 -15.526 3.381 7.384 389 HB3 ASP 52 2HB ASP 52 -16.177 4.067 8.870 390 H LYS 53 H LYS 53 -13.450 2.267 8.897 391 HA LYS 53 HA LYS 53 -13.553 2.564 11.815 392 HB2 LYS 53 1HB LYS 53 -13.340 0.019 10.200 393 HB3 LYS 53 2HB LYS 53 -13.668 0.152 11.923 394 HG2 LYS 53 1HG LYS 53 -15.514 1.452 9.976 395 HG3 LYS 53 2HG LYS 53 -15.605 -0.291 10.241 396 HD2 LYS 53 1HD LYS 53 -15.984 0.047 12.602 397 HD3 LYS 53 2HD LYS 53 -15.755 1.788 12.423 398 HE2 LYS 53 1HE LYS 53 -17.758 2.028 11.207 399 HE3 LYS 53 2HE LYS 53 -17.889 0.293 10.926 400 HZ1 LYS 53 1HZ LYS 53 -19.155 0.183 12.722 401 HZ2 LYS 53 2HZ LYS 53 -18.905 1.818 13.073 402 HZ3 LYS 53 3HZ LYS 53 -17.837 0.652 13.673 403 H GLU 54 H GLU 54 -11.649 3.235 12.593 404 HA GLU 54 HA GLU 54 -9.183 2.094 11.479 405 HB2 GLU 54 1HB GLU 54 -9.846 4.642 12.877 406 HB3 GLU 54 2HB GLU 54 -8.229 3.985 13.086 407 HG2 GLU 54 1HG GLU 54 -7.912 5.353 11.287 408 HG3 GLU 54 2HG GLU 54 -8.270 3.826 10.482 409 H MET 55 H MET 55 -8.393 0.398 12.522 410 HA MET 55 HA MET 55 -8.538 0.364 15.461 411 HB2 MET 55 1HB MET 55 -8.938 -2.015 15.446 412 HB3 MET 55 2HB MET 55 -10.165 -1.227 14.463 413 HG2 MET 55 1HG MET 55 -7.712 -2.291 13.154 414 HG3 MET 55 2HG MET 55 -8.987 -3.404 13.643 415 HE1 MET 55 1HE MET 55 -8.761 -1.309 9.781 416 HE2 MET 55 2HE MET 55 -7.783 -0.757 11.140 417 HE3 MET 55 3HE MET 55 -7.710 -2.444 10.629 418 H GLN 56 H GLN 56 -6.787 -0.592 16.543 419 HA GLN 56 HA GLN 56 -4.265 -0.093 15.601 420 HB2 GLN 56 1HB GLN 56 -4.816 -0.587 17.960 421 HB3 GLN 56 2HB GLN 56 -5.023 -2.283 17.543 422 HG2 GLN 56 1HG GLN 56 -2.875 -2.004 18.536 423 HG3 GLN 56 2HG GLN 56 -2.655 -2.344 16.821 424 HE21 GLN 56 1HE2 GLN 56 -2.099 -0.600 15.424 425 HE22 GLN 56 2HE2 GLN 56 -1.283 0.791 16.041 426 H SER 57 H SER 57 -6.089 -3.115 15.352 427 HA SER 57 HA SER 57 -3.969 -4.551 14.081 428 HB2 SER 57 1HB SER 57 -5.830 -5.621 15.386 429 HB3 SER 57 2HB SER 57 -6.922 -5.212 14.064 430 HG SER 57 HG SER 57 -4.592 -6.546 13.367 431 H TYR 58 H TYR 58 -3.260 -4.039 12.122 432 HA TYR 58 HA TYR 58 -5.245 -3.378 10.047 433 HB2 TYR 58 1HB TYR 58 -3.619 -1.891 9.016 434 HB3 TYR 58 2HB TYR 58 -3.891 -1.410 10.687 435 HD1 TYR 58 2HD TYR 58 -2.164 -1.915 12.409 436 HD2 TYR 58 1HD TYR 58 -1.470 -2.588 8.265 437 HE1 TYR 58 2HE TYR 58 0.256 -2.023 12.837 438 HE2 TYR 58 1HE TYR 58 0.951 -2.699 8.682 439 HH TYR 58 HH TYR 58 2.430 -3.301 10.788 440 H SER 59 H SER 59 -4.733 -4.043 7.894 441 HA SER 59 HA SER 59 -3.168 -6.512 7.854 442 HB2 SER 59 1HB SER 59 -5.066 -5.405 5.770 443 HB3 SER 59 2HB SER 59 -4.340 -7.012 5.770 444 HG SER 59 HG SER 59 -6.462 -7.043 6.613 445 H THR 60 H THR 60 -1.345 -6.773 6.698 446 HA THR 60 HA THR 60 -0.456 -4.509 5.031 447 HB THR 60 HB THR 60 1.343 -6.366 6.596 448 HG1 THR 60 1HG THR 60 0.202 -5.044 8.037 449 HG21 THR 60 1HG2 THR 60 2.422 -3.787 5.875 450 HG22 THR 60 2HG2 THR 60 1.872 -4.661 4.446 451 HG23 THR 60 3HG2 THR 60 3.049 -5.398 5.532 452 H LEU 61 H LEU 61 0.369 -4.940 3.040 453 HA LEU 61 HA LEU 61 0.372 -7.764 2.202 454 HB2 LEU 61 1HB LEU 61 -1.350 -6.635 1.046 455 HB3 LEU 61 2HB LEU 61 -0.319 -5.245 0.717 456 HG LEU 61 HG LEU 61 1.063 -6.956 -0.688 457 HD11 LEU 61 1HD1 LEU 61 0.169 -8.944 -1.183 458 HD12 LEU 61 2HD1 LEU 61 -1.458 -8.283 -1.336 459 HD13 LEU 61 3HD1 LEU 61 -0.821 -8.694 0.256 460 HD21 LEU 61 1HD2 LEU 61 -0.687 -5.001 -1.298 461 HD22 LEU 61 2HD2 LEU 61 -1.495 -6.385 -2.036 462 HD23 LEU 61 3HD2 LEU 61 0.156 -5.974 -2.503 463 H LYS 62 H LYS 62 2.093 -8.570 1.079 464 HA LYS 62 HA LYS 62 4.478 -6.862 0.995 465 HB2 LYS 62 1HB LYS 62 4.029 -9.801 1.278 466 HB3 LYS 62 2HB LYS 62 5.534 -9.247 0.557 467 HG2 LYS 62 1HG LYS 62 4.671 -8.033 3.128 468 HG3 LYS 62 2HG LYS 62 5.321 -9.674 3.141 469 HD2 LYS 62 1HD LYS 62 7.311 -8.817 1.902 470 HD3 LYS 62 2HD LYS 62 6.673 -7.184 2.107 471 HE2 LYS 62 1HE LYS 62 8.171 -7.402 3.872 472 HE3 LYS 62 2HE LYS 62 6.613 -7.756 4.617 473 HZ1 LYS 62 1HZ LYS 62 8.905 -9.424 4.357 474 HZ2 LYS 62 2HZ LYS 62 7.534 -10.174 3.710 475 HZ3 LYS 62 3HZ LYS 62 7.527 -9.638 5.314 476 H ALA 63 H ALA 63 5.018 -6.025 -0.900 477 HA ALA 63 HA ALA 63 4.404 -7.556 -3.344 478 HB1 ALA 63 1HB ALA 63 4.385 -5.205 -4.424 479 HB2 ALA 63 2HB ALA 63 2.973 -5.740 -3.511 480 HB3 ALA 63 3HB ALA 63 4.131 -4.631 -2.776 481 H VAL 64 H VAL 64 6.080 -8.038 -4.611 482 HA VAL 64 HA VAL 64 8.725 -7.146 -3.863 483 HB VAL 64 HB VAL 64 9.518 -8.675 -5.624 484 HG11 VAL 64 1HG1 VAL 64 7.434 -10.151 -4.060 485 HG12 VAL 64 2HG1 VAL 64 9.083 -10.637 -4.456 486 HG13 VAL 64 3HG1 VAL 64 8.798 -9.383 -3.249 487 HG21 VAL 64 1HG2 VAL 64 8.030 -8.738 -7.354 488 HG22 VAL 64 2HG2 VAL 64 7.547 -10.207 -6.507 489 HG23 VAL 64 3HG2 VAL 64 6.622 -8.721 -6.292 490 H THR 65 H THR 65 6.452 -6.637 -6.492 491 HA THR 65 HA THR 65 8.379 -4.921 -7.880 492 HB THR 65 HB THR 65 7.347 -6.393 -9.409 493 HG1 THR 65 1HG THR 65 6.886 -4.826 -10.749 494 HG21 THR 65 1HG2 THR 65 5.508 -7.193 -8.068 495 HG22 THR 65 2HG2 THR 65 4.875 -6.596 -9.602 496 HG23 THR 65 3HG2 THR 65 4.718 -5.619 -8.143 497 H THR 66 H THR 66 7.217 -2.959 -8.984 498 HA THR 66 HA THR 66 6.228 -1.316 -6.825 499 HB THR 66 HB THR 66 6.194 0.484 -8.619 500 HG1 THR 66 1HG THR 66 6.436 -0.195 -10.600 501 HG21 THR 66 1HG2 THR 66 8.062 0.587 -7.254 502 HG22 THR 66 2HG2 THR 66 8.792 0.372 -8.845 503 HG23 THR 66 3HG2 THR 66 8.640 -1.002 -7.751 504 H ARG 67 H ARG 67 4.629 -3.542 -8.268 505 HA ARG 67 HA ARG 67 2.161 -1.977 -8.440 506 HB2 ARG 67 1HB ARG 67 2.869 -4.107 -10.460 507 HB3 ARG 67 2HB ARG 67 1.445 -3.075 -10.459 508 HG2 ARG 67 1HG ARG 67 2.680 -1.180 -11.071 509 HG3 ARG 67 2HG ARG 67 4.216 -1.947 -10.663 510 HD2 ARG 67 1HD ARG 67 3.682 -3.624 -12.502 511 HD3 ARG 67 2HD ARG 67 2.408 -2.510 -12.997 512 HE ARG 67 HE ARG 67 5.257 -2.161 -13.328 513 HH11 ARG 67 2HH1 ARG 67 2.129 -0.634 -13.274 514 HH12 ARG 67 1HH1 ARG 67 2.634 0.729 -14.217 515 HH21 ARG 67 2HH2 ARG 67 5.934 -0.372 -14.570 516 HH22 ARG 67 1HH2 ARG 67 4.798 0.877 -14.955 517 H ALA 68 H ALA 68 0.555 -2.867 -7.312 518 HA ALA 68 HA ALA 68 0.350 -5.739 -6.999 519 HB1 ALA 68 1HB ALA 68 0.074 -4.882 -4.362 520 HB2 ALA 68 2HB ALA 68 1.389 -5.846 -5.037 521 HB3 ALA 68 3HB ALA 68 1.536 -4.091 -4.951 522 H THR 69 H THR 69 -1.683 -6.419 -6.170 523 HA THR 69 HA THR 69 -3.729 -4.296 -6.136 524 HB THR 69 HB THR 69 -3.999 -7.099 -7.240 525 HG1 THR 69 1HG THR 69 -3.853 -4.524 -8.434 526 HG21 THR 69 1HG2 THR 69 -6.140 -6.761 -6.536 527 HG22 THR 69 2HG2 THR 69 -6.226 -5.873 -8.057 528 HG23 THR 69 3HG2 THR 69 -5.980 -5.005 -6.542 529 H VAL 70 H VAL 70 -4.260 -4.060 -4.048 530 HA VAL 70 HA VAL 70 -4.174 -6.150 -2.128 531 HB VAL 70 HB VAL 70 -5.573 -3.475 -1.989 532 HG11 VAL 70 1HG1 VAL 70 -4.760 -5.255 0.299 533 HG12 VAL 70 2HG1 VAL 70 -5.723 -3.777 0.365 534 HG13 VAL 70 3HG1 VAL 70 -6.386 -5.230 -0.384 535 HG21 VAL 70 1HG2 VAL 70 -3.127 -3.367 -2.366 536 HG22 VAL 70 2HG2 VAL 70 -3.618 -2.699 -0.809 537 HG23 VAL 70 3HG2 VAL 70 -2.889 -4.303 -0.890 538 H SER 71 H SER 71 -5.469 -7.872 -2.448 539 HA SER 71 HA SER 71 -8.315 -7.388 -3.010 540 HB2 SER 71 1HB SER 71 -7.526 -8.837 -4.673 541 HB3 SER 71 2HB SER 71 -6.492 -9.718 -3.548 542 HG SER 71 HG SER 71 -8.105 -11.069 -3.510 543 H GLY 72 H GLY 72 -9.869 -8.853 -1.941 544 HA2 GLY 72 1HA GLY 72 -10.637 -10.104 -0.129 545 HA3 GLY 72 2HA GLY 72 -9.009 -10.104 0.531 546 H LEU 73 H LEU 73 -10.877 -7.274 -0.445 547 HA LEU 73 HA LEU 73 -10.695 -6.307 2.323 548 HB2 LEU 73 1HB LEU 73 -11.287 -4.707 -0.158 549 HB3 LEU 73 2HB LEU 73 -10.899 -4.087 1.445 550 HG LEU 73 HG LEU 73 -8.943 -5.702 -0.173 551 HD11 LEU 73 1HD1 LEU 73 -7.941 -3.357 -0.588 552 HD12 LEU 73 2HD1 LEU 73 -9.581 -2.782 -0.293 553 HD13 LEU 73 3HD1 LEU 73 -9.268 -3.914 -1.608 554 HD21 LEU 73 1HD2 LEU 73 -7.725 -3.787 1.489 555 HD22 LEU 73 2HD2 LEU 73 -7.729 -5.541 1.677 556 HD23 LEU 73 3HD2 LEU 73 -8.978 -4.568 2.455 557 H LYS 74 H LYS 74 -12.559 -4.566 2.694 558 HA LYS 74 HA LYS 74 -15.024 -6.089 2.538 559 HB2 LYS 74 1HB LYS 74 -14.074 -3.721 4.087 560 HB3 LYS 74 2HB LYS 74 -15.806 -3.938 3.872 561 HG2 LYS 74 1HG LYS 74 -15.811 -5.968 5.040 562 HG3 LYS 74 2HG LYS 74 -14.057 -6.135 4.926 563 HD2 LYS 74 1HD LYS 74 -14.217 -5.398 7.079 564 HD3 LYS 74 2HD LYS 74 -14.128 -3.840 6.254 565 HE2 LYS 74 1HE LYS 74 -16.755 -5.173 6.836 566 HE3 LYS 74 2HE LYS 74 -15.948 -4.160 8.032 567 HZ1 LYS 74 1HZ LYS 74 -17.497 -2.835 6.816 568 HZ2 LYS 74 2HZ LYS 74 -16.863 -3.338 5.331 569 HZ3 LYS 74 3HZ LYS 74 -15.940 -2.360 6.357 570 HA PRO 75 HA PRO 75 -16.551 -3.886 -0.979 571 HB2 PRO 75 1HB PRO 75 -19.144 -4.663 -0.782 572 HB3 PRO 75 2HB PRO 75 -17.862 -5.733 -1.363 573 HG2 PRO 75 1HG PRO 75 -19.111 -5.573 1.353 574 HG3 PRO 75 2HG PRO 75 -18.686 -7.007 0.400 575 HD2 PRO 75 1HD PRO 75 -17.138 -6.092 2.425 576 HD3 PRO 75 2HD PRO 75 -16.461 -6.897 0.994 577 H GLY 76 H GLY 76 -17.564 -1.963 -1.410 578 HA2 GLY 76 1HA GLY 76 -18.401 0.125 -0.942 579 HA3 GLY 76 2HA GLY 76 -19.617 -0.747 -0.021 580 H THR 77 H THR 77 -16.136 -0.484 0.583 581 HA THR 77 HA THR 77 -16.658 1.189 2.923 582 HB THR 77 HB THR 77 -15.120 -1.409 3.111 583 HG1 THR 77 1HG THR 77 -17.487 -0.812 4.531 584 HG21 THR 77 1HG2 THR 77 -14.336 0.521 4.538 585 HG22 THR 77 2HG2 THR 77 -14.834 -0.921 5.423 586 HG23 THR 77 3HG2 THR 77 -15.911 0.472 5.330 587 H ARG 78 H ARG 78 -15.330 2.861 2.745 588 HA ARG 78 HA ARG 78 -13.145 3.030 1.026 589 HB2 ARG 78 1HB ARG 78 -14.193 4.655 3.279 590 HB3 ARG 78 2HB ARG 78 -12.528 4.950 2.796 591 HG2 ARG 78 1HG ARG 78 -13.391 5.232 0.441 592 HG3 ARG 78 2HG ARG 78 -15.013 5.235 1.136 593 HD2 ARG 78 1HD ARG 78 -14.035 7.073 2.703 594 HD3 ARG 78 2HD ARG 78 -12.811 7.232 1.444 595 HE ARG 78 HE ARG 78 -15.594 8.002 1.280 596 HH11 ARG 78 2HH1 ARG 78 -12.654 7.310 -0.450 597 HH12 ARG 78 1HH1 ARG 78 -13.120 8.203 -1.860 598 HH21 ARG 78 2HH2 ARG 78 -16.219 9.181 -0.570 599 HH22 ARG 78 1HH2 ARG 78 -15.147 9.267 -1.927 600 H TYR 79 H TYR 79 -10.949 2.823 1.280 601 HA TYR 79 HA TYR 79 -9.979 1.784 3.852 602 HB2 TYR 79 1HB TYR 79 -9.851 0.500 1.176 603 HB3 TYR 79 2HB TYR 79 -8.417 0.377 2.189 604 HD1 TYR 79 2HD TYR 79 -8.595 -0.707 4.437 605 HD2 TYR 79 1HD TYR 79 -11.787 -0.795 1.625 606 HE1 TYR 79 2HE TYR 79 -9.618 -2.577 5.665 607 HE2 TYR 79 1HE TYR 79 -12.819 -2.664 2.847 608 HH TYR 79 HH TYR 79 -11.870 -4.559 4.457 609 H VAL 80 H VAL 80 -7.961 2.440 4.455 610 HA VAL 80 HA VAL 80 -6.760 4.548 2.819 611 HB VAL 80 HB VAL 80 -6.127 3.786 5.672 612 HG11 VAL 80 1HG1 VAL 80 -4.279 4.933 4.709 613 HG12 VAL 80 2HG1 VAL 80 -5.334 6.130 3.954 614 HG13 VAL 80 3HG1 VAL 80 -5.148 6.098 5.708 615 HG21 VAL 80 1HG2 VAL 80 -8.496 4.701 5.025 616 HG22 VAL 80 2HG2 VAL 80 -7.648 5.332 6.436 617 HG23 VAL 80 3HG2 VAL 80 -7.645 6.242 4.925 618 H PHE 81 H PHE 81 -5.249 3.884 1.441 619 HA PHE 81 HA PHE 81 -3.595 1.572 2.078 620 HB2 PHE 81 1HB PHE 81 -3.854 3.235 -0.434 621 HB3 PHE 81 2HB PHE 81 -2.768 1.859 -0.269 622 HD1 PHE 81 1HD PHE 81 -3.760 -0.410 0.197 623 HD2 PHE 81 2HD PHE 81 -6.107 2.939 -0.985 624 HE1 PHE 81 1HE PHE 81 -5.577 -1.926 -0.477 625 HE2 PHE 81 2HE PHE 81 -7.928 1.429 -1.660 626 HZ PHE 81 HZ PHE 81 -7.665 -1.007 -1.406 627 H GLN 82 H GLN 82 -1.293 1.629 1.953 628 HA GLN 82 HA GLN 82 0.073 4.164 1.859 629 HB2 GLN 82 1HB GLN 82 -0.309 2.676 4.439 630 HB3 GLN 82 2HB GLN 82 1.121 3.664 4.178 631 HG2 GLN 82 1HG GLN 82 -0.536 5.534 3.580 632 HG3 GLN 82 2HG GLN 82 -1.740 4.512 4.364 633 HE21 GLN 82 1HE2 GLN 82 0.122 7.075 4.877 634 HE22 GLN 82 2HE2 GLN 82 0.418 6.929 6.573 635 H VAL 83 H VAL 83 1.809 3.734 0.684 636 HA VAL 83 HA VAL 83 2.921 1.048 0.634 637 HB VAL 83 HB VAL 83 3.684 3.494 -0.968 638 HG11 VAL 83 1HG1 VAL 83 5.009 2.068 -2.328 639 HG12 VAL 83 2HG1 VAL 83 5.468 1.746 -0.655 640 HG13 VAL 83 3HG1 VAL 83 4.411 0.624 -1.513 641 HG21 VAL 83 1HG2 VAL 83 2.424 1.249 -2.345 642 HG22 VAL 83 2HG2 VAL 83 1.376 2.025 -1.157 643 HG23 VAL 83 3HG2 VAL 83 2.093 2.978 -2.457 644 H ARG 84 H ARG 84 5.074 0.542 1.098 645 HA ARG 84 HA ARG 84 6.805 2.570 2.238 646 HB2 ARG 84 1HB ARG 84 7.131 1.308 4.348 647 HB3 ARG 84 2HB ARG 84 5.506 1.960 4.184 648 HG2 ARG 84 1HG ARG 84 4.546 -0.086 4.038 649 HG3 ARG 84 2HG ARG 84 5.940 -0.804 3.228 650 HD2 ARG 84 1HD ARG 84 5.705 -1.742 5.445 651 HD3 ARG 84 2HD ARG 84 7.170 -0.763 5.361 652 HE ARG 84 HE ARG 84 4.829 0.604 6.368 653 HH11 ARG 84 2HH1 ARG 84 7.678 -1.244 7.134 654 HH12 ARG 84 1HH1 ARG 84 7.765 -0.677 8.769 655 HH21 ARG 84 2HH2 ARG 84 4.932 1.358 8.518 656 HH22 ARG 84 1HH2 ARG 84 6.202 0.802 9.555 657 H ALA 85 H ALA 85 8.975 1.740 2.696 658 HA ALA 85 HA ALA 85 9.639 -0.465 0.874 659 HB1 ALA 85 1HB ALA 85 11.771 1.260 1.993 660 HB2 ALA 85 2HB ALA 85 11.589 0.583 0.374 661 HB3 ALA 85 3HB ALA 85 10.649 1.998 0.849 662 H ARG 86 H ARG 86 11.676 -1.703 1.546 663 HA ARG 86 HA ARG 86 11.929 -2.073 4.424 664 HB2 ARG 86 1HB ARG 86 10.142 -3.603 3.925 665 HB3 ARG 86 2HB ARG 86 11.013 -4.246 2.539 666 HG2 ARG 86 1HG ARG 86 12.718 -5.159 4.045 667 HG3 ARG 86 2HG ARG 86 11.812 -4.538 5.427 668 HD2 ARG 86 1HD ARG 86 10.494 -6.342 3.437 669 HD3 ARG 86 2HD ARG 86 11.515 -7.015 4.707 670 HE ARG 86 HE ARG 86 8.887 -5.900 5.007 671 HH11 ARG 86 2HH1 ARG 86 11.902 -6.575 6.611 672 HH12 ARG 86 1HH1 ARG 86 11.200 -6.617 8.194 673 HH21 ARG 86 2HH2 ARG 86 7.951 -5.953 7.086 674 HH22 ARG 86 1HH2 ARG 86 8.953 -6.264 8.463 675 H THR 87 H THR 87 14.054 -1.785 4.639 676 HA THR 87 HA THR 87 15.842 -3.324 2.871 677 HB THR 87 HB THR 87 17.542 -1.462 3.375 678 HG1 THR 87 1HG THR 87 15.704 -0.556 4.893 679 HG21 THR 87 1HG2 THR 87 17.130 -0.715 1.299 680 HG22 THR 87 2HG2 THR 87 15.504 -0.178 1.719 681 HG23 THR 87 3HG2 THR 87 15.794 -1.865 1.296 682 H SER 88 H SER 88 17.719 -4.189 3.804 683 HA SER 88 HA SER 88 17.583 -5.427 6.191 684 HB2 SER 88 1HB SER 88 19.807 -5.963 5.948 685 HB3 SER 88 2HB SER 88 19.478 -5.359 4.324 686 HG SER 88 HG SER 88 20.798 -4.069 6.459 687 H ALA 89 H ALA 89 19.073 -2.230 5.710 688 HA ALA 89 HA ALA 89 19.777 -1.731 8.359 689 HB1 ALA 89 1HB ALA 89 20.534 -0.384 6.443 690 HB2 ALA 89 2HB ALA 89 18.913 0.298 6.302 691 HB3 ALA 89 3HB ALA 89 19.878 0.609 7.745 692 H GLY 90 H GLY 90 16.901 -0.468 6.650 693 HA2 GLY 90 1HA GLY 90 15.352 -0.788 9.111 694 HA3 GLY 90 2HA GLY 90 15.502 0.838 8.461 695 H CYS 91 H CYS 91 13.040 0.283 8.605 696 HA CYS 91 HA CYS 91 12.203 -0.891 6.037 697 HB2 CYS 91 1HB CYS 91 10.630 -0.579 8.603 698 HB3 CYS 91 2HB CYS 91 9.997 -1.244 7.102 699 HG CYS 91 HG CYS 91 10.425 -3.384 8.795 700 H GLY 92 H GLY 92 13.049 1.944 6.888 701 HA2 GLY 92 1HA GLY 92 12.356 4.120 6.552 702 HA3 GLY 92 2HA GLY 92 11.663 3.440 5.086 703 H ARG 93 H ARG 93 10.174 5.324 5.543 704 HA ARG 93 HA ARG 93 8.050 4.519 7.419 705 HB2 ARG 93 1HB ARG 93 8.999 7.210 6.485 706 HB3 ARG 93 2HB ARG 93 7.364 7.005 7.101 707 HG2 ARG 93 1HG ARG 93 9.718 6.071 8.691 708 HG3 ARG 93 2HG ARG 93 9.222 7.764 8.712 709 HD2 ARG 93 1HD ARG 93 6.911 6.954 9.314 710 HD3 ARG 93 2HD ARG 93 7.619 5.356 9.543 711 HE ARG 93 HE ARG 93 8.820 7.546 11.032 712 HH11 ARG 93 2HH1 ARG 93 6.647 4.826 11.008 713 HH12 ARG 93 1HH1 ARG 93 6.636 4.653 12.732 714 HH21 ARG 93 2HH2 ARG 93 8.814 7.328 13.303 715 HH22 ARG 93 1HH2 ARG 93 7.869 6.078 14.037 716 H PHE 94 H PHE 94 5.834 4.991 6.754 717 HA PHE 94 HA PHE 94 5.222 3.933 4.238 718 HB2 PHE 94 1HB PHE 94 3.665 5.305 6.381 719 HB3 PHE 94 2HB PHE 94 2.907 5.103 4.805 720 HD1 PHE 94 1HD PHE 94 3.170 2.644 3.812 721 HD2 PHE 94 2HD PHE 94 3.323 3.666 7.942 722 HE1 PHE 94 1HE PHE 94 2.556 0.336 4.403 723 HE2 PHE 94 2HE PHE 94 2.710 1.359 8.539 724 HZ PHE 94 HZ PHE 94 2.327 -0.309 6.768 725 H SER 95 H SER 95 3.708 5.121 2.662 726 HA SER 95 HA SER 95 5.171 7.375 1.634 727 HB2 SER 95 1HB SER 95 3.571 7.251 -0.253 728 HB3 SER 95 2HB SER 95 4.305 5.685 0.095 729 HG SER 95 HG SER 95 2.325 5.367 1.443 730 H GLN 96 H GLN 96 1.642 7.089 1.815 731 HA GLN 96 HA GLN 96 1.346 9.325 3.575 732 HB2 GLN 96 1HB GLN 96 0.920 9.680 0.618 733 HB3 GLN 96 2HB GLN 96 0.064 10.668 1.794 734 HG2 GLN 96 1HG GLN 96 2.345 11.257 2.736 735 HG3 GLN 96 2HG GLN 96 3.014 10.533 1.274 736 HE21 GLN 96 1HE2 GLN 96 2.895 11.617 -0.632 737 HE22 GLN 96 2HE2 GLN 96 2.287 13.227 -0.785 738 H ALA 97 H ALA 97 -0.933 9.865 3.954 739 HA ALA 97 HA ALA 97 -2.528 7.521 4.115 740 HB1 ALA 97 1HB ALA 97 -2.475 9.928 5.425 741 HB2 ALA 97 2HB ALA 97 -3.961 10.035 4.481 742 HB3 ALA 97 3HB ALA 97 -3.721 8.692 5.598 743 H MET 98 H MET 98 -3.223 6.655 2.236 744 HA MET 98 HA MET 98 -4.364 8.386 0.182 745 HB2 MET 98 1HB MET 98 -2.875 6.749 -0.688 746 HB3 MET 98 2HB MET 98 -3.632 5.462 0.242 747 HG2 MET 98 1HG MET 98 -4.480 5.062 -1.841 748 HG3 MET 98 2HG MET 98 -5.742 6.080 -1.152 749 HE1 MET 98 1HE MET 98 -4.131 5.257 -4.141 750 HE2 MET 98 2HE MET 98 -5.788 5.837 -4.312 751 HE3 MET 98 3HE MET 98 -4.475 6.655 -5.160 752 H GLU 99 H GLU 99 -6.471 8.127 -0.630 753 HA GLU 99 HA GLU 99 -8.302 6.615 1.114 754 HB2 GLU 99 1HB GLU 99 -8.504 9.427 0.092 755 HB3 GLU 99 2HB GLU 99 -9.964 8.510 0.433 756 HG2 GLU 99 1HG GLU 99 -9.058 8.115 2.739 757 HG3 GLU 99 2HG GLU 99 -7.784 9.270 2.355 758 H VAL 100 H VAL 100 -9.487 5.159 0.079 759 HA VAL 100 HA VAL 100 -10.441 5.647 -2.615 760 HB VAL 100 HB VAL 100 -8.632 3.306 -2.006 761 HG11 VAL 100 1HG1 VAL 100 -10.606 2.706 -3.390 762 HG12 VAL 100 2HG1 VAL 100 -10.096 3.915 -4.570 763 HG13 VAL 100 3HG1 VAL 100 -9.068 2.521 -4.233 764 HG21 VAL 100 1HG2 VAL 100 -7.275 4.244 -3.855 765 HG22 VAL 100 2HG2 VAL 100 -8.353 5.640 -3.898 766 HG23 VAL 100 3HG2 VAL 100 -7.383 5.319 -2.460 767 H GLU 101 H GLU 101 -12.178 4.315 -3.216 768 HA GLU 101 HA GLU 101 -13.298 2.712 -1.011 769 HB2 GLU 101 1HB GLU 101 -14.428 4.942 -1.877 770 HB3 GLU 101 2HB GLU 101 -15.047 3.876 -3.131 771 HG2 GLU 101 1HG GLU 101 -15.767 2.383 -1.127 772 HG3 GLU 101 2HG GLU 101 -15.604 3.876 -0.203 773 H THR 102 H THR 102 -14.136 0.713 -1.452 774 HA THR 102 HA THR 102 -13.259 -0.524 -3.908 775 HB THR 102 HB THR 102 -14.134 -2.617 -2.919 776 HG1 THR 102 1HG THR 102 -14.584 -1.573 -0.432 777 HG21 THR 102 1HG2 THR 102 -11.978 -2.498 -2.235 778 HG22 THR 102 2HG2 THR 102 -12.715 -2.248 -0.652 779 HG23 THR 102 3HG2 THR 102 -12.162 -0.865 -1.595 780 H GLY 103 H GLY 103 -14.910 -2.239 -4.825 781 HA2 GLY 103 1HA GLY 103 -17.104 -0.687 -5.882 782 HA3 GLY 103 2HA GLY 103 -16.657 -2.321 -6.350 783 H LYS 104 H LYS 104 -18.995 -0.509 -4.898 784 HA LYS 104 HA LYS 104 -19.844 -2.033 -2.719 785 HB2 LYS 104 1HB LYS 104 -21.329 -0.286 -4.671 786 HB3 LYS 104 2HB LYS 104 -22.152 -1.096 -3.344 787 HG2 LYS 104 1HG LYS 104 -20.523 0.035 -1.793 788 HG3 LYS 104 2HG LYS 104 -20.000 0.995 -3.179 789 HD2 LYS 104 1HD LYS 104 -22.179 1.942 -3.434 790 HD3 LYS 104 2HD LYS 104 -22.862 0.829 -2.246 791 HE2 LYS 104 1HE LYS 104 -21.178 1.884 -0.610 792 HE3 LYS 104 2HE LYS 104 -21.036 3.169 -1.809 793 HZ1 LYS 104 1HZ LYS 104 -23.555 2.304 -0.493 794 HZ2 LYS 104 2HZ LYS 104 -23.418 3.539 -1.641 795 HZ3 LYS 104 3HZ LYS 104 -22.682 3.707 -0.127 796 HA PRO 105 HA PRO 105 -21.485 -5.750 -4.382 797 HB2 PRO 105 1HB PRO 105 -23.562 -6.211 -2.696 798 HB3 PRO 105 2HB PRO 105 -21.873 -6.409 -2.216 799 HG2 PRO 105 1HG PRO 105 -23.729 -4.115 -1.712 800 HG3 PRO 105 2HG PRO 105 -22.576 -4.885 -0.606 801 HD2 PRO 105 1HD PRO 105 -22.042 -2.555 -1.877 802 HD3 PRO 105 2HD PRO 105 -20.779 -3.737 -1.481 803 H SER 106 H SER 106 -22.809 -6.286 -6.014 804 HA SER 106 HA SER 106 -25.234 -4.661 -6.423 805 HB2 SER 106 1HB SER 106 -23.236 -5.686 -8.439 806 HB3 SER 106 2HB SER 106 -24.849 -5.143 -8.901 807 HG SER 106 HG SER 106 -23.663 -3.341 -7.283 808 H GLY 107 H GLY 107 -27.071 -5.699 -7.243 809 HA2 GLY 107 1HA GLY 107 -27.017 -8.536 -7.795 810 HA3 GLY 107 2HA GLY 107 -27.798 -8.117 -6.278 811 HA PRO 108 HA PRO 108 -30.530 -7.428 -10.192 812 HB2 PRO 108 1HB PRO 108 -31.612 -9.893 -10.543 813 HB3 PRO 108 2HB PRO 108 -30.147 -9.360 -11.376 814 HG2 PRO 108 1HG PRO 108 -30.422 -11.067 -8.932 815 HG3 PRO 108 2HG PRO 108 -29.343 -11.272 -10.324 816 HD2 PRO 108 1HD PRO 108 -28.506 -10.218 -7.974 817 HD3 PRO 108 2HD PRO 108 -27.830 -9.720 -9.538 818 H SER 109 H SER 109 -32.321 -6.476 -9.478 819 HA SER 109 HA SER 109 -33.933 -7.855 -7.433 820 HB2 SER 109 1HB SER 109 -33.060 -4.998 -7.607 821 HB3 SER 109 2HB SER 109 -34.616 -5.371 -6.867 822 HG SER 109 HG SER 109 -33.531 -5.879 -5.155 823 H SER 110 H SER 110 -35.813 -8.474 -8.245 824 HA SER 110 HA SER 110 -36.847 -7.499 -10.702 825 HB2 SER 110 1HB SER 110 -37.861 -9.364 -8.580 826 HB3 SER 110 2HB SER 110 -38.939 -8.827 -9.868 827 HG SER 110 HG SER 110 -37.424 -10.829 -10.064 828 H GLY 111 H GLY 111 -38.612 -6.190 -11.128 829 HA2 GLY 111 1HA GLY 111 -40.351 -4.711 -10.666 830 HA3 GLY 111 2HA GLY 111 -40.098 -4.989 -8.949
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